*HEADER    SIGNALING PROTEIN                       14-JUL-00   1FB9              
*TITLE     EFFECTS OF S-SULFONATION ON THE SOLUTION STRUCTURE OF                 
*TITLE    2 SALMON CALCITONIN                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALCITONIN ANALOGUE;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ONCORHYNCHUS GORBUSCHA;                         
*SOURCE   3 ORGANISM_COMMON: PINK SALMON;                                        
*SOURCE   4 ORGAN: PAROTID;                                                      
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PHARMACIA BIOTECH, PGEX-4T-3              
*SOURCE   9 GST GENE FUSION VECTOR                                               
*KEYWDS    ALPHA HELIX                                                           
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    H.WU, J.MAO, Y.WANG, H.DOU                                            
*REVDAT   1   01-JUL-03 1FB9    0                                                

Distance constraints
  2 SER  
         HA      3 ASN  HN      3.50  #     2   286300.0  r   apr3     964
         QB      3 ASN  HN      4.50  # m   2   723500.0*2r   apr3     965
  3 ASN  
         HN      3 ASN  HA      3.60  #     2  2366000.0  e   apr3      62
         HN      3 ASN  HB2     3.80  #     2  1748000.0  e   apr3      60
         HN      3 ASN  HB3     3.50  #     2  2637000.0  e   apr3      61
         HN      4 LEU  HN      4.20  #     2  1428000.0  e   apr3     780
         HN      4 LEU  HB2     6.00  #   w 2    63240.0  e   apr3     445
         HN      7 CYS  HN      6.00  #   w 3    52370.0  e   apr3     929
         HA      3 ASN  HB2     3.10  #     2  5929000.0  e   apr3      66
         HA      3 ASN  HB3     3.10  #     2  6135000.0  e   apr3      67
         HA      3 ASN  HD21    6.00  #   w 1    91070.0  e   apr3     675
         HA      4 LEU  HN      3.10  #     2  5633000.0  e   apr3     449
         HA      4 LEU  HA      4.60  #     2   522200.0  e   apr3     455
         HA      4 LEU  HB2     3.90  #     2  1462000.0  e   apr3     454
         HA      5 SER  HN      4.80  #     3   326300.0  e   apr3     461
         HA      6 THR  HN      5.30  #     3   179000.0  e   apr3     473
         HA      6 THR  HB      4.60  #     3   431000.0  e   apr3     953
         HA      6 THR  QG2     6.80  #     5M  100500.0  e   apr3     957
         HB2     3 ASN  HD21    4.00  #     1  1290000.0  e   apr3     673
         HB2     3 ASN  HD22    4.30  #     1   761300.0  e   apr3     677
         HB2     4 LEU  HN      4.00  #     2  1317000.0  e   apr3     447
         HB2     5 SER  HN      5.50  #     3   140900.0  e   apr3     460
         HB2     6 THR  HN      6.00  #     3    85560.0  e   apr3     886
         HB2     6 THR  HB      4.60  #     5   478100.0  e   apr3     962
         HB3     3 ASN  HD21    4.00  #     1  1291000.0  e   apr3     672
         HB3     3 ASN  HD22    4.30  #     1   781300.0  e   apr3     676
         HB3     4 LEU  HN      3.60  #     2  2275000.0  e   apr3     448
         HB3     5 SER  HN      5.30  #     3   178500.0  e   apr3     459
         HB3     6 THR  HN      6.00  #   w 3    51340.0  e   apr3     885
         HD21    6 THR  QG2     6.90  #     5M   91380.0  e   apr3     674
         HD22    6 THR  QG2     6.30  #     5M  165900.0  e   apr3     678
  4 LEU  
         HN      4 LEU  HA      3.10  #     2  6173000.0  e   apr3     157
         HN      4 LEU  HB2     2.70  #     2 14340000.0  e   apr3     156
         HA      4 LEU  HB2     2.70  #     2 14500000.0  e   apr3     160
         HA      4 LEU  QD1     3.50  #   s 1M 5076000.0  e   apr3     161
         HA      4 LEU  QD2     3.80  #     1M 3147000.0  e   apr3     162
         HA      7 CYS  HB2     3.10  #     3  4945000.0  e   apr3     865
         HB2     4 LEU  QD1     3.50  #   s 1M 8575000.0  e   apr3     167
         HB2     4 LEU  QD2     3.50  #   s 1M12340000.0  e   apr3     168
         HB2     5 SER  HN      3.10  #     2  5523000.0  e   apr3     458
         HB2     5 SER  HB3     4.90  #     5   341400.0  e   apr3     915
         HB2     6 THR  HN      4.20  #     3   752100.0  e   apr3     469
         HB2     7 CYS  HB2     3.80  #     5  1674000.0  e   apr3     869
         HB2     8 VAL  QG1     3.80  #     5M 3634000.0  e   apr3     907
  5 SER  
         HN      5 SER  HA      3.10  #     2  5901000.0  e   apr3     207
         HN      5 SER  HB3     3.60  #     2  2516000.0  e   apr3     206
         HN      6 THR  HN      3.50  #     2  2807000.0  e   apr3     791
         HN      7 CYS  HN      4.00  #     3  1074000.0  e   apr3     807
         HN      7 CYS  HB2     5.50  #     3   144600.0  e   apr3     936
         HN      8 VAL  QG1     5.40  #     5M  420600.0  e   apr3     887
         HA      5 SER  HB2     3.00  #     2  7784000.0  e   apr3     211
         HA      5 SER  HB3     3.10  #     2  5877000.0  e   apr3     210
         HA      6 THR  HN      3.60  #     2  3836000.0  e   apr3     468
         HA      8 VAL  HB      3.30  #     3  4261000.0  e   apr3     880
         HB3     6 THR  HN      4.30  #     2   849300.0  e   apr3     467
  6 THR  
         HN      6 THR  HA      3.10  #     2  5922000.0  e   apr3     261
         HN      6 THR  HB      3.40  #     2  3397000.0  e   apr3     260
         HN      6 THR  QG2     3.80  #     1M 3427000.0  e   apr3     262
         HN      7 CYS  HN      3.40  #     2  3580000.0  e   apr3     794
         HN      7 CYS  HB2     4.50  #     2   637000.0  e   apr3     466
         HN      8 VAL  HN      4.30  #     3   959200.0  e   apr3     793
         HA      6 THR  HB      3.10  #     2  6148000.0  e   apr3     270
         HA      6 THR  QG2     3.60  #   s 1M 9242000.0  e   apr3     267
         HA      7 CYS  HN      3.60  #     2  2437000.0  e   apr3     476
         HA      7 CYS  HB2     5.70  #     2   350200.0  e   apr3     837
         HA      9 LEU  HB2     3.10  #     3  4486000.0  e   apr3     882
         HB      6 THR  QG2     3.50  #   s 1M12040000.0  e   apr3     266
         HB      7 CYS  HN      3.90  #     2  1517000.0  e   apr3     475
         HB      7 CYS  HB2     5.10  #     5   271700.0  e   apr3     836
         HB      8 VAL  HN      5.80  #     3   101700.0  e   apr3     482
         QG2     7 CYS  HN      4.60  #     5M 1041000.0  e   apr3     477
         QG2     7 CYS  HA      6.90  #     5M   90330.0  e   apr3     958
         QG2     7 CYS  HB2     5.90  #     5M  249500.0  e   apr3     906
  7 CYS  
         HN      7 CYS  HA      5.00  #     2   305700.0  e   apr3      95
         HN      7 CYS  HB2     2.90  #     2  9287000.0  e   apr3      94
         HN      8 VAL  HN      2.80  #     2 11550000.0  e   apr3     796
         HA      7 CYS  HB2     3.00  #     2  7625000.0  e   apr3      98
         HA      8 VAL  HN      6.00  #   w 2    93860.0  e   apr3     483
         HA      8 VAL  QG1     6.30  #     5M  160600.0  e   apr3     959
         HB2     8 VAL  HN      3.20  #     2  5092000.0  e   apr3     481
         HB2     8 VAL  HA      4.60  #     2   520700.0  e   apr3     843
         HB2     8 VAL  HB      4.30  #     5   731800.0  e   apr3     842
         HB2     8 VAL  QG1     5.30  #     5M 2819000.0  e   apr3     841
         HB2     8 VAL  QG2     5.70  #     5M  283900.0  e   apr3     840
         HB2    10 GLY  HN      6.00  #   w 3    58940.0  e   apr3     488
         HB2    11 LYS  QE      6.80  # m   5   126900.0*2e   apr3     900
  8 VAL  
         HN      8 VAL  HA      3.10  #     2  6156000.0  e   apr3     139
         HN      8 VAL  HB      2.80  #     2 11830000.0  e   apr3     136
         HN      8 VAL  QG1     3.70  #   s 1M10900000.0  e   apr3     138
         HN      8 VAL  QG2     4.10  #   s 1M 6165000.0  e   apr3     137
         HA      8 VAL  HB      3.20  #     2  4487000.0  e   apr3     146
         HA      8 VAL  QG1     3.70  #   s 1M12660000.0  e   apr3     145
         HA      8 VAL  QG2     3.50  #   s 1M 8796000.0  e   apr3     144
         HA      9 LEU  HA      4.80  #     2  1314000.0  e   apr3     845
         HA     10 GLY  HN      5.10  #     3   215500.0  e   apr3     487
         HA     11 LYS  HN      3.80  #     3  1578000.0  e   apr3     523
         HA     11 LYS  HB2     3.30  #     3  3453000.0  e   apr3     883
         HA     11 LYS  HB3     3.40  #     3  2468000.0  e   apr3     909
         HA     11 LYS  HG3     4.80  #     5   389800.0  e   apr3     908
         HA     11 LYS  QD      5.40  # m   5   666500.0*2e   apr3     926
         HA     12 LEU  HN      4.60  #     3   450000.0  e   apr3     505
         HB      8 VAL  QG1     3.50  #   s 1M11550000.0  e   apr3     151
         HB      8 VAL  QG2     3.50  #   s 1M12950000.0  e   apr3     150
         QG1     9 LEU  HA      5.40 >#     5M  584400.0  e   apr3     848
         QG1    10 GLY  HN      7.00 >#   w 5M   25580.0  e   apr3     495
         QG1    11 LYS  HN      6.30  #     5M  156900.0  e   apr3     521
         QG2     9 LEU  HA      5.50 <#     5M 2394000.0  e   apr3     847
         QG2    10 GLY  HN      7.00 <#   w 5M   79280.0  e   apr3     494
         QG2    11 LYS  HN      6.50  #     5M  129000.0  e   apr3     522
         QG2    12 LEU  HN      5.70  #     5M  297600.0  e   apr3     506
  9 LEU  
         HN      9 LEU  HA      3.00  #     2  7826000.0  e   apr3     125
         HN      9 LEU  HB2     3.00  #     2  6573000.0  e   apr3     124
         HN      9 LEU  HB3     3.50  #     2  7038000.0  e   apr3     123
         HN      9 LEU  HG      3.30  #     1  4198000.0  e   apr3     122
         HN      9 LEU  QD1     3.50  #   s 1M 5201000.0  e   apr3     126
         HN     10 GLY  HN      3.40  #     2  3468000.0  e   apr3     768
         HN     10 GLY  HA2     5.00  #     2   300200.0  e   apr3     669
         HN     11 LYS  HN      4.30  #     3   616500.0  e   apr3     777
         HN     12 LEU  HN      5.20  #     3   199500.0  e   apr3     778
         HN     13 SER  HN      5.70  #     3   122000.0  e   apr3     931
         HA      9 LEU  HB2     3.00  #     2 17560000.0  e   apr3     134
         HA      9 LEU  HG      2.90  #   s 1 19760000.0  e   apr3     133
         HA     10 GLY  HN      3.90  #     2  1552000.0  e   apr3     493
         HB2    10 GLY  HN      3.90 <#     2  1453000.0  e   apr3     491
         HB3    10 GLY  HN      4.50 >#     2   576700.0  e   apr3     490
         HG     10 GLY  HN      4.70  #     5  1245000.0  e   apr3     489
         QD1    10 GLY  HN      6.10  #     5M  193100.0  e   apr3     492
 10 GLY  
         HN     10 GLY  HA1     3.00  #     2  7581000.0  e   apr3      85
         HN     10 GLY  HA2     3.10  #     2  6037000.0  e   apr3      86
         HN     11 LYS  HN      3.40  #     2  3074000.0  e   apr3     764
         HN     12 LEU  HN      5.10  #     3   237700.0  e   apr3     754
         HN     13 SER  HN      5.60  #     3   121800.0  e   apr3     762
         HA1    11 LYS  HN      3.60  #     2  2184000.0  e   apr3     525
         HA1    12 LEU  HN      6.00  #   w 3    74460.0  e   apr3     512
         HA2    11 LYS  HN      3.80  #     2  1767000.0  e   apr3     519
         HA2    12 LEU  HN      6.00  #   w 3    48810.0  e   apr3     511
         HA2    13 SER  HN      5.00  #     3   249500.0  e   apr3     534
 11 LYS  
         HN     11 LYS  HA      2.90  #     2  8613000.0  e   apr3     336
         HN     11 LYS  HB2     3.10  #     2  5341000.0  e   apr3     335
         HN     11 LYS  HB3     3.30  #     2  4353000.0  e   apr3     334
         HN     11 LYS  HG2     3.70  #     1  2092000.0  e   apr3     333
         HN     11 LYS  HG3     3.90  #     1  1444000.0  e   apr3     332
         HN     11 LYS  QD      5.20  # m   1   945000.0*2e   apr3     337
         HN     11 LYS  QE      7.00  # m w 1     5385.0*2e   apr3     338
         HN     12 LEU  HN      3.40  #     2  3148000.0  e   apr3     744
         HN     13 SER  HN      4.60  #     3   417300.0  e   apr3     809
         HA     11 LYS  HB2     2.90  #     2 19200000.0  e   apr3     347
         HA     11 LYS  HB3     2.90  #     2  8290000.0  e   apr3     346
         HA     11 LYS  HG3     3.10  #     1  5393000.0  e   apr3     345
         HA     11 LYS  QE      6.50  # m   1   173450.0*2e   apr3     353
         HB2    11 LYS  HG3     3.50  #     1  2888000.0  e   apr3     355
         HB2    11 LYS  QE      7.00  # m w 1    21535.0*2e   apr3     352
         HB2    12 LEU  HN      3.80  #     2  1616000.0  e   apr3     510
         HB3    11 LYS  QE      7.00  # m w 1    13515.0*2e   apr3     351
         HB3    12 LEU  HN      4.00  #     2  1222000.0  e   apr3     509
         HG2    11 LYS  QE      5.40  # m   1   685000.0*2e   apr3     349
         HG2    12 LEU  HN      6.00  #   w 5    65560.0  e   apr3     507
         HG3    11 LYS  QD      4.20  # m   1  4602000.0*2e   apr3     356
         HG3    11 LYS  QE      5.50  # m   1   592500.0*2e   apr3     348
         HG3    12 LEU  HN      5.70  #     5   130500.0  e   apr3     508
         QD     11 LYS  QE      5.80  # mm  1  1689000.0*4e   apr3     350
 12 LEU  
         HN     12 LEU  HA      2.90  #     2  8030000.0  e   apr3      40
         HN     12 LEU  HB2     3.10  #     2  5545000.0  e   apr3      39
         HN     12 LEU  HG      3.00  #     1  6918000.0  e   apr3      38
         HN     12 LEU  QD1     4.00  #     1M 2036000.0  e   apr3      37
         HN     13 SER  HN      3.70  #     2  1921000.0  e   apr3     756
         HN     14 GLN  HN      4.70  #     3   386100.0  e   apr3     813
         HN     15 GLU  HN      5.70  #     3   111300.0  e   apr3     803
         HN     15 GLU  HB2     6.00  #   w 3    76940.0  e   apr3     943
         HN     15 GLU  HB3     6.00  #   w 3    55820.0  e   apr3     942
         HN     15 GLU  QG      7.30  # m w 5    17835.0*2e   apr3     944
         HN     16 LEU  HN      5.27  #     3   281400.0  e   apr3     932
         HA     12 LEU  HB2     2.50  #   s 2 19700000.0  e   apr3      47
         HA     12 LEU  HG      3.00  #   s 1 22770000.0  e   apr3      46
         HB2    13 SER  HN      3.70  #     2  2010000.0  e   apr3     533
         HG     12 LEU  QD1     3.50  #   s 1M29480000.0  e   apr3      50
         HG     13 SER  HN      4.20  #     5  2489000.0  e   apr3     532
         QD1    13 SER  HN      4.80  #     5M  859800.0  e   apr3     531
 13 SER  
         HN     13 SER  HA      3.00  #     2  6932000.0  e   apr3      52
         HN     13 SER  HB2     3.50  #     2  3032000.0  e   apr3      53
         HN     13 SER  HB3     3.50  #     2  2739000.0  e   apr3      54
         HN     14 GLN  HN      3.60  #     2  2411000.0  e   apr3     804
         HN     14 GLN  HB2     5.60  #     2   152000.0  e   apr3     945
         HN     15 GLU  HN      4.80  #     3   317700.0  e   apr3     760
         HN     16 LEU  HN      6.00  #   w 3    55210.0  e   apr3     927
         HN     16 LEU  HG      6.00  #   w 5    47860.0  e   apr3     941
         HA     13 SER  HB3     2.70  #     2 15070000.0  e   apr3      58
         HB2    14 GLN  HN      4.30  #     2   812400.0  e   apr3     541
         HB2    16 LEU  QD1     5.20  #     5M  516900.0  e   apr3     948
         HB2    17 HIS  QB      7.00  # m w 5    82850.0*2e   apr3     949
         HB3    14 GLN  HN      3.80  #     2  1640000.0  e   apr3     540
 14 GLN  
         HN     14 GLN  HA      2.80  #     2 12830000.0  e   apr3     316
         HN     14 GLN  HB2     3.20  #     2  4520000.0  e   apr3     313
         HN     14 GLN  HB3     3.36  #     2  4778000.0  e   apr3     314
         HN     14 GLN  HG2     3.60  #     1  2867000.0  e   apr3     315
         HN     14 GLN  HG3     3.50  #     1  3436000.0  e   apr3     312
         HN     15 GLU  HN      3.40  #     2  3544000.0  e   apr3     766
         HN     16 LEU  HN      5.10  #     3   220600.0  e   apr3     746
         HN     17 HIS  HN      4.60  #     3   559000.0  e   apr3     935
         HN     17 HIS  QB      5.90  # m   3   288150.0*2e   apr3     539
         HA     14 GLN  HB2     2.95  #     2  9492000.0  e   apr3     323
         HA     14 GLN  HB3     2.80  #     2 10730000.0  e   apr3     324
         HA     14 GLN  HG2     3.20  #     1  5224000.0  e   apr3     321
         HA     14 GLN  HG3     3.00  #     1  7508000.0  e   apr3     322
         HA     17 HIS  QB      4.10  # m   3  4561000.0*2e   apr3     884
         HB2    14 GLN  HG2     3.30  #     1  3740000.0  e   apr3     327
         HB3    14 GLN  HG2     3.30  #     1  4042000.0  e   apr3     326
         HB3    17 HIS  QB      5.70  # m   5   411350.0*2e   apr3     923
         HG2    14 GLN  HE21    4.20  #     1   864700.0  e   apr3     723
         HG2    14 GLN  HE22    4.50  #     1   598300.0  e   apr3     724
         HG2    15 GLU  HN      5.00  #     5   280700.0  e   apr3     547
         HG2    17 HIS  QB      7.00  # m w 5    59350.0*2e   apr3     925
         HG3    14 GLN  HE21    5.20  #     1   240800.0  e   apr3     722
         HG3    14 GLN  HE22    5.60  #     1   157800.0  e   apr3     725
 15 GLU  
         HN     15 GLU  HA      2.70  #     2 13110000.0  e   apr3     103
         HN     15 GLU  HB2     3.00  #     2  6844000.0  e   apr3     104
         HN     15 GLU  HB3     3.00  #     2  6552000.0  e   apr3     101
         HN     15 GLU  QG      4.60  # m   1  2393000.0*2e   apr3     102
         HN     16 LEU  HN      3.80  #     2  1723000.0  e   apr3     752
         HN     16 LEU  HG      5.60  #     5   144200.0  e   apr3     546
         HN     16 LEU  QD1     5.10  #     5M  586100.0  e   apr3     545
         HN     17 HIS  HN      4.50  #     3   487000.0  e   apr3     952
         HN     17 HIS  QB      7.00  # m w 3    55300.0*2e   apr3     548
         HA     15 GLU  HB2     2.70  #     2 12530000.0  e   apr3     111
         HA     15 GLU  HB3     3.00  #     2 12680000.0  e   apr3     110
         HA     15 GLU  QG      3.60  # i   1  6995000.0*2e   apr3     112
         HA     16 LEU  HN      3.90  #     2  1339000.0  e   apr3     556
         HA     18 LYS  HB3     3.30  #     3  3306000.0  e   apr3     873
         HB2    15 GLU  QG      4.00  # m   1  6435000.0*2e   apr3     117
         HB2    16 LEU  HN      3.90  #     2  1376000.0  e   apr3     553
         HB2    16 LEU  QD1     6.30  #     5M  158100.0  e   apr3     917
         HB2    17 HIS  HN      5.90  #     3    98170.0  e   apr3     951
         HB3    15 GLU  QG      4.00  # m   1  7185000.0*2e   apr3     116
         HB3    16 LEU  HN      4.00  #     2  1287000.0  e   apr3     552
         HB3    17 HIS  HN      5.40  #     3   156400.0  e   apr3     950
         QG     16 LEU  HN      5.70  # m   5   418450.0*2e   apr3     554
         QG     18 LYS  HB2     5.80  # m   5   390400.0*2e   apr3     910
         QG     18 LYS  HB3     6.00  # m   5   295950.0*2e   apr3     918
         QG     18 LYS  QD      7.30  # mm  5   212775.0*4e   apr3     911
         QG     19 LEU  HB3     5.20  # m   5   804500.0*2e   apr3     919
         QG     19 LEU  QD1     5.95  # m   5M 1002500.0*2e   apr3     891
         QG     19 LEU  QD2     5.60  # m   5M 1046000.0*2e   apr3     890
 16 LEU  
         HN     16 LEU  HA      3.00  #     2  6579000.0  e   apr3      13
         HN     16 LEU  HB2     3.00  #     2  6829000.0  e   apr3      11
         HN     16 LEU  HG      3.60  #     1  2300000.0  e   apr3      10
         HN     16 LEU  QD1     3.90  #     1M 2464000.0  e   apr3      12
         HN     17 HIS  HN      3.90  #     2  1528000.0  e   apr3     750
         HN     17 HIS  QB      6.40  # m   2   202300.0*2e   apr3     555
         HN     18 LYS  HN      5.50  #     3   149000.0  e   apr3     748
         HA     16 LEU  HG      4.30  #     1  9564000.0  e   apr3      23
         HA     16 LEU  QD1     3.50  #   s 1M30930000.0  e   apr3      24
         HA     17 HIS  HA      4.70  #     2  1614000.0  e   apr3     946
         HB2    16 LEU  HG      2.80  #     1 11150000.0  e   apr3      31
         HB2    16 LEU  QD1     3.50  #   s 1M27500000.0  e   apr3      28
         HB2    17 HIS  HN      3.70  #     2  2113000.0  e   apr3     563
         HG     16 LEU  QD1     3.50  #   s 1M10450000.0  e   apr3      29
         HG     17 HIS  HN      4.40  #     5  1216000.0  e   apr3     562
         HG     17 HIS  QB      6.40  # m   5   197750.0*2e   apr3     912
 17 HIS  
         HN     17 HIS  HA      3.50  #     2  2686000.0  e   apr3     192
         HN     17 HIS  QB      3.80  # i   2  4992000.0*2e   apr3     193
         HN     17 HIS  HD1     5.80  #     1   135100.0  e   apr3     824
         HN     18 LYS  HN      3.50  #     2  2656000.0  e   apr3     963
         HA     17 HIS  QB      4.00  # m   2  6935000.0*2e   apr3     196
         HA     17 HIS  HD1     4.40  #     1   680200.0  e   apr3     686
         HA     18 LYS  HN      4.60  #     2   540200.0  e   apr3     567
         HA     20 GLN  HN      4.40  #     3   527100.0  e   apr3     937
         HA     20 GLN  HB2     4.10  #     3  3801000.0  e   apr3     876
         HA     20 GLN  HG2     4.78  #     5   443100.0  e   apr3     874
         HA     20 GLN  HG3     4.60  #     5   487400.0  e   apr3     875
         QB     17 HIS  HD1     4.90  # m   1  1539500.0*2e   apr3     689
         QB     17 HIS  HE1     7.00  # m w 1    29780.0*2e   apr3     939
         QB     18 LYS  HN      4.70  # m   2  1889500.0*2e   apr3     568
         QB     18 LYS  HA      5.60  # m   2   553000.0*2e   apr3     867
         QB     18 LYS  HB2     5.30  # m   5   718500.0*2e   apr3     921
         QB     19 LEU  HB3     6.70  # m   5   330400.0*2e   apr3     924
         QB     20 GLN  HB2     6.60  # m   5   411450.0*2e   apr3     903
         QB     20 GLN  HG3     6.00  # m   5   305950.0*2e   apr3     904
         QB     21 THR  QG2     8.00  # m w 5M   56550.0*2e   apr3     905
         HD1    18 LYS  HA      5.50  #     5   172800.0  e   apr3     688
         HD1    21 THR  QG2     5.40  #     5M  417800.0  e   apr3     690
         HE1    21 THR  QG2     5.20  #     5M  499300.0  e   apr3     691
 18 LYS  
         HN     18 LYS  HA      3.00  #     2  7351000.0  e   apr3     219
         HN     18 LYS  HB2     2.90 <#     2  8197000.0  e   apr3     214
         HN     18 LYS  HB3     3.80 >#     2  1619000.0  e   apr3     218
         HN     18 LYS  QG      5.70  # m   1   483250.0*2e   apr3     216
         HN     18 LYS  QD      6.10  # m   1   266400.0*2e   apr3     215
         HN     19 LEU  HN      2.90  #     2  8366000.0  e   apr3     772
         HN     19 LEU  HB2     5.20  #     2   742600.0  e   apr3     569
         HN     19 LEU  HB3     4.50  #     2  1542000.0  e   apr3     570
         HN     19 LEU  QD2     5.60  #     5M  322200.0  e   apr3     889
         HN     20 GLN  HN      4.50  #     3   511400.0  e   apr3     774
         HA     18 LYS  HB2     2.70 <#     2 12150000.0  e   apr3     227
         HA     18 LYS  HB3     3.40 >#     2  3300000.0  e   apr3     225
         HA     18 LYS  QG      4.50  # i   1  1365500.0*2e   apr3     224
         HA     18 LYS  QD      4.90  # m   1  1497000.0*2e   apr3     226
         HA     19 LEU  HN      3.50  #     2  2595000.0  e   apr3     578
         HA     21 THR  HN      5.10  #     3   225700.0  e   apr3     598
         HA     21 THR  QG2     4.70  #     5M  942400.0  e   apr3     914
         HA     22 TYR  HN      5.70  #     3   115900.0  e   apr3     618
         HB2    18 LYS  QG      4.50  # m   1  2846000.0*2e   apr3     240
         HB2    18 LYS  QD      4.20  # m   1  5270000.0*2e   apr3     238
         HB2    18 LYS  QE      6.60  # m   1   162250.0*2e   apr3     234
         HB2    19 LEU  HN      3.30  #     2  4033000.0  e   apr3     576
         HB2    20 GLN  HN      5.00  #     3   250300.0  e   apr3     585
         HB3    18 LYS  QG      4.10  # m   1  5620000.0*2e   apr3     242
         HB3    22 TYR  HB2     5.80  #     5   118600.0  e   apr3     920
         QG     18 LYS  QD      5.80  # mm  1  1662500.0*4e   apr3     241
         QG     18 LYS  QE      7.30  # mm  1   221700.0*4e   apr3     232
         QG     19 LEU  HN      7.00  # m w 5    90250.0*2e   apr3     577
         QD     18 LYS  QE      5.90  # mm  1  1344000.0*4e   apr3     233
 19 LEU  
         HN     19 LEU  HA      2.90  #     2 10520000.0  e   apr3     174
         HN     19 LEU  HB2     3.40  #     2  3355000.0  e   apr3     172
         HN     19 LEU  HB3     3.10  #     2  5964000.0  e   apr3     171
         HN     19 LEU  HG      3.90  #     1  4130000.0  e   apr3     173
         HN     19 LEU  QD1     5.20  #     1M 1867000.0  e   apr3     579
         HN     19 LEU  QD2     4.70  #     1M 1986000.0  e   apr3     580
         HN     20 GLN  HN      3.50  #     2  2682000.0  e   apr3     770
         HN     21 THR  HN      6.00  #   w 3    69520.0  e   apr3     820
         HA     19 LEU  HB2     2.80  #     2 10100000.0  e   apr3     179
         HA     21 THR  HN      5.50  #     3   145300.0  e   apr3     597
         HA     22 TYR  HN      5.20  #     3   207900.0  e   apr3     617
         HA     22 TYR  HB2     3.80  #     3  1425000.0  e   apr3     877
         HA     22 TYR  QD      6.60  # r   5   497250.0*2e   apr3     720
         HB2    19 LEU  HG      2.70  #     1 15030000.0  e   apr3     183
         HB2    19 LEU  QD1     3.60  #     1M 4098000.0  e   apr3     182
         HB2    19 LEU  QD2     3.60  #     1M 4391000.0  e   apr3     181
         HB2    20 GLN  HN      4.40  #     2  1148000.0  e   apr3     584
         HB3    19 LEU  QD1     3.77  #   s 1M12750000.0  e   apr3     190
         HB3    19 LEU  QD2     3.50  #   s 1M21690000.0  e   apr3     189
         HB3    20 GLN  HN      4.40  #     2   658100.0  e   apr3     583
         HG     20 GLN  HN      4.10  #     5   969000.0  e   apr3     582
         QD1    20 GLN  HN      7.00 >#   w 5M   77620.0  e   apr3     587
         QD2    20 GLN  HN      5.40 <#     5M  427600.0  e   apr3     588
         QD2    20 GLN  HE21    6.90  #     5M   93060.0  e   apr3     940
 20 GLN  
         HN     20 GLN  HA      3.30  #     2  4163000.0  e   apr3     296
         HN     20 GLN  HB2     3.00  #     2  7317000.0  e   apr3     293
         HN     20 GLN  HG2     3.60  #     1  2409000.0  e   apr3     295
         HN     20 GLN  HG3     3.60  #     1  2481000.0  e   apr3     294
         HN     21 THR  HN      3.70  #     2  2136000.0  e   apr3     817
         HN     21 THR  HA      6.00  #   w 2    81010.0  e   apr3     938
         HN     21 THR  QG2     6.00  #     5M  216700.0  e   apr3     586
         HN     22 TYR  HN      4.60  #     3   409500.0  e   apr3     819
         HA     20 GLN  HB2     2.70  #     2 13570000.0  e   apr3     300
         HA     20 GLN  HG2     3.60  #     1  3274000.0  e   apr3     302
         HA     20 GLN  HG3     3.70  #     1  4670000.0  e   apr3     301
         HB2    20 GLN  HG2     2.80  #     1 10180000.0  e   apr3     306
         HB2    20 GLN  HG3     2.80  #     1 10060000.0  e   apr3     308
         HB2    20 GLN  HE21    6.00  #     1   107600.0  e   apr3     732
         HB2    21 THR  HN      3.50  #     2  2625000.0  e   apr3     602
         HB2    21 THR  HA      4.90  #     2  1304000.0  e   apr3     878
         HB2    21 THR  QG2     4.50  #     5M 1241000.0  e   apr3     871
         HB2    22 TYR  HN      5.60  #     3   128300.0  e   apr3     611
         HG2    20 GLN  HE21    4.80  #     1   398200.0  e   apr3     730
         HG2    20 GLN  HE22    5.00  #     1   324100.0  e   apr3     733
         HG2    21 THR  HN      5.30  #     5   204800.0  e   apr3     600
         HG2    21 THR  HA      5.00  #     5   282800.0  e   apr3     879
         HG3    20 GLN  HE21    4.50  #     1   607900.0  e   apr3     731
         HG3    20 GLN  HE22    4.80  #     1   407900.0  e   apr3     734
         HG3    21 THR  HN      5.50  #     5   174900.0  e   apr3     601
 21 THR  
         HN     21 THR  HA      3.40  #     2  3260000.0  e   apr3     388
         HN     21 THR  HB      3.50  #     2  3789000.0  e   apr3     387
         HN     21 THR  QG2     3.80  #     1M 2789000.0  e   apr3     390
         HN     22 TYR  HN      3.40  #     2  3444000.0  e   apr3     815
         HN     22 TYR  HA      6.00  #   w 2    56420.0  e   apr3     596
         HN     22 TYR  HB2     4.20  #     2   897900.0  e   apr3     599
         HA     21 THR  HB      3.50  #     2  5826000.0  e   apr3     398
         HA     21 THR  QG2     3.70  #   s 1M 9794000.0  e   apr3     394
         HA     22 TYR  HN      3.60  #     2  2629000.0  e   apr3     614
         HA     22 TYR  HA      5.50  #     2   186000.0  e   apr3     955
         HA     22 TYR  HB2     5.00  #     2   877700.0  e   apr3     894
         HB     21 THR  QG2     3.50  #   s 1M13240000.0  e   apr3     395
         HB     22 TYR  HN      4.20  #     2  1232000.0  e   apr3     615
         QG2    22 TYR  HN      4.70  #     5M 1180000.0  e   apr3     610
         QG2    22 TYR  HA      7.00  #   w 5M   74670.0  e   apr3     960
         QG2    22 TYR  HB2     6.50  #     5M  133200.0  e   apr3     916
 22 TYR  
         HN     22 TYR  HA      3.80  #     2  1581000.0  e   apr3     381
         HN     22 TYR  HB2     2.90  #     2  8266000.0  e   apr3     382
         HN     22 TYR  QD      6.50  # r   1   602500.0*2e   apr3     822
         HN     23 PRO  HD2     4.90  #     5   788700.0  e   apr3     613
         HN     23 PRO  HD3     4.60  #     5   778300.0  e   apr3     612
         HA     22 TYR  HB2     2.90  #     2  8154000.0  e   apr3     385
         HA     22 TYR  QE      6.60  # i w 1    70050.0*2e   apr3     712
         HA     22 TYR  QD      5.10  # m   1  1046000.0*2e   apr3     709
         HA     23 PRO  HA      5.80  #     2   130000.0  e   apr3     954
         HA     23 PRO  HB3     5.00  #     2   464000.0  e   apr3     898
         HA     23 PRO  HD2     3.00  #     5  6709000.0  e   apr3     857
         HA     23 PRO  HD3     3.00  #     5  6235000.0  e   apr3     855
         HB2    22 TYR  QE      6.50  # r   1   609500.0*2e   apr3     711
         HB2    22 TYR  QD      5.10  # r   1  5305000.0*2e   apr3     706
         HB2    23 PRO  HA      5.10  #     2   299400.0  e   apr3     895
         HB2    23 PRO  HG2     4.10  #     5   948100.0  e   apr3     901
         HB2    23 PRO  HD2     3.20  #     5  4547000.0  e   apr3     853
         HB2    23 PRO  HD3     3.20  #     5  4325000.0  e   apr3     851
         QE     22 TYR  QD      7.20  # rr  1  4892500.0*4e   apr3     832
         QD     23 PRO  HD2     6.40  # r   5   606500.0*2e   apr3     708
         QD     23 PRO  HD3     6.30  # r   5   708500.0*2e   apr3     707
 23 PRO  
         HA     23 PRO  HB2     2.90  #     2  8160000.0  e   apr3     401
         HA     23 PRO  HB3     3.10  #     2  5623000.0  e   apr3     400
         HA     23 PRO  HD2     4.30  #     1   818200.0  e   apr3     416
         HB2    23 PRO  HG2     2.60  #     1 17740000.0  e   apr3     421
         HB2    23 PRO  HD2     3.80  #     1  1808000.0  e   apr3     402
         HB2    23 PRO  HD3     3.90  #     1  1351000.0  e   apr3     407
         HB2    24 ARG  HN      4.00  #     2  1248000.0  e   apr3     629
         HB3    23 PRO  HD2     3.60  #     1  2366000.0  e   apr3     404
         HB3    23 PRO  HD3     3.50  #     1  2664000.0  e   apr3     405
         HB3    24 ARG  HN      4.00  #     2  1227000.0  e   apr3     630
         HG2    23 PRO  HD2     2.70  #     1 13950000.0  e   apr3     403
         HG2    23 PRO  HD3     2.90  #     1  8943000.0  e   apr3     406
         HD2    24 ARG  HN      5.80  #     5   120200.0  e   apr3     628
         HD3    24 ARG  HN      5.10  #     5   256100.0  e   apr3     627
 24 ARG  
         HN     24 ARG  HA      3.10  #     2  6310000.0  e   apr3     275
         HN     24 ARG  HB2     3.20  #     2  4528000.0  e   apr3     278
         HN     24 ARG  HB3     3.20  #     2  4604000.0  e   apr3     277
         HN     24 ARG  QG      5.00  # m   1  1270500.0*2e   apr3     276
         HN     24 ARG  QD      6.40  # m   1   205050.0*2e   apr3     631
         HA     24 ARG  HB2     3.30 <#     2  4274000.0  e   apr3     285
         HA     24 ARG  HB3     3.90 >#     2  1338000.0  e   apr3     284
         HA     24 ARG  QG      6.10  # i   1   180650.0*2e   apr3     283
         HB2    24 ARG  QG      4.00  # m   1  6615000.0*2e   apr3     289
         QG     24 ARG  HE      5.80  # m   1   405800.0*2e   apr3     741
         QD     24 ARG  HE      4.90  # m   1  1333500.0*2e   apr3     740
 25 THR  
         HN     25 THR  HA      3.40  #     2  3214000.0  e   apr3     251
         HN     25 THR  HB      3.90  #     2  1504000.0  e   apr3     250
         HN     25 THR  QG2     3.90  #     1M 2370000.0  e   apr3     249
         HN     26 ASN  HN      3.70  #     2  2119000.0  e   apr3     789
         HA     25 THR  HB      3.20  #     2  4550000.0  e   apr3     257
         HA     25 THR  QG2     3.50  #   s 1M 5859000.0  e   apr3     253
         HA     26 ASN  HN      3.50  #     2  4842000.0  e   apr3     639
         HA     26 ASN  HA      5.40  #     2   210600.0  e   apr3     961
         HB     25 THR  QG2     3.50  #   s 1M 9922000.0  e   apr3     254
         HB     26 ASN  HN      4.10  #     2  1130000.0  e   apr3     638
         QG2    26 ASN  HN      4.80  #     5M  820300.0  e   apr3     637
         QG2    26 ASN  HA      6.40  #     5M  150200.0  e   apr3     956
 26 ASN  
         HN     26 ASN  HA      3.50  #     2  2834000.0  e   apr3      72
         HN     26 ASN  HB2     3.80  #     2  1655000.0  e   apr3      73
         HN     26 ASN  HB3     3.70  #     2  1854000.0  e   apr3      74
         HN     27 THR  HN      4.00  #     2  1291000.0  e   apr3     786
         HA     26 ASN  HB2     3.20  #     2  5178000.0  e   apr3      80
         HA     26 ASN  HB3     3.20  #     2  4724000.0  e   apr3      78
         HA     27 THR  HN      3.30  #     2  4320000.0  e   apr3     643
         HB2    26 ASN  HD21    4.90  #     1   359200.0  e   apr3     698
         HB2    26 ASN  HD22    5.50  #     1   171300.0  e   apr3     701
         HB2    27 THR  HN      5.00  #     2   318600.0  e   apr3     644
         HB3    26 ASN  HD21    4.60  #     1   538300.0  e   apr3     699
         HB3    26 ASN  HD22    5.00  #     1   320400.0  e   apr3     700
         HB3    27 THR  HN      4.70  #     2   452900.0  e   apr3     645
 27 THR  
         HN     27 THR  HA      3.50  #     2  2764000.0  e   apr3     199
         HN     27 THR  QG2     4.30  #     1M 1428000.0  e   apr3     198
         HN     28 GLY  HN      3.70  #     2  1952000.0  e   apr3     784
         HA     27 THR  QG2     3.50  #   s 1M14050000.0  e   apr3     204
         HA     28 GLY  HN      3.20  #     2  4780000.0  e   apr3     651
         HA     29 SER  HN      4.30  #     3   638800.0  e   apr3     659
         QG2    28 GLY  HN      5.90  #     5M  235000.0  e   apr3     654
 28 GLY  
         HN     28 GLY  HA1     3.20  #     2  4851000.0  e   apr3     436
         HN     28 GLY  HA2     2.90  #     2  9022000.0  e   apr3     438
         HA1    29 SER  HN      3.70  #     2  2023000.0  e   apr3     657
         HA2    29 SER  HN      3.90  #     2  1533000.0  e   apr3     658
 29 SER  
         HN     29 SER  HA      5.30  #     2   223200.0  e   apr3     425
         HN     29 SER  HB2     4.10 <#     2  1125000.0  e   apr3     427
         HN     29 SER  HB3     4.90 >#     2   357400.0  e   apr3     426
         HN     30 GLY  HN      3.40  #     2  3309000.0  e   apr3     810
         HA     29 SER  HB2     3.80 <#     2  1826000.0  e   apr3     431
         HA     29 SER  HB3     4.40 >#     2   658100.0  e   apr3     432
         HA     30 GLY  HN      4.50  #     2   564700.0  e   apr3     663
 30 GLY  
         HN     30 GLY  HA1     3.70  #     2  1896000.0  e   apr3     440
         HN     30 GLY  HA2     3.60  #     2  2496000.0  e   apr3     439
         HN     31 THR  HN      4.00  #     2  1300000.0  e   apr3     800
         HA1    31 THR  HN      4.10  #     2  1081000.0  e   apr3     665
         HA2    31 THR  HN      3.90  #     2  1555000.0  e   apr3     666
 31 THR  
         HN     31 THR  HA      5.50  #     2   185800.0  e   apr3     369
         HN     31 THR  HB      4.40  #     2   646000.0  e   apr3     370
         HN     31 THR  QG2     6.00  #     1M  181900.0  e   apr3     371
         HA     31 THR  HB      3.80  #     2  1629000.0  e   apr3     375
         HA     31 THR  QG2     4.70  #     1M  823600.0  e   apr3     377
         HA     32 PRO  HD2     3.20  #     5  4379000.0  e   apr3     860
         HA     32 PRO  HD3     3.50  #     5  2705000.0  e   apr3     859
         HB     31 THR  QG2     3.90  #     1M 2458000.0  e   apr3     378
         HB     32 PRO  HD2     4.70 >#     5   423200.0  e   apr3     897
         HB     32 PRO  HD3     3.90 <#     5  1296000.0  e   apr3     896

Slow exchange proton constraints
   4 LEU  O        8 VAL  HN      2.20 
   5 SER  O        9 LEU  HN      2.20
   6 THR  O       10 GLY  HN      2.20
   7 CYS  O       11 LYS  HN      2.20
   8 VAL  O       12 LEU  HN      2.20
   9 LEU  O       13 SER  HN      2.20
  10 GLY  O       14 GLN  HN      2.20
  11 LYS  O       15 GLU  HN      2.20
  12 LEU  O       16 LEU  HN      2.20
  14 GLN  O       18 LYS  HN      2.20
  17 HIS  O       21 THR  HN      2.20
  18 LYS  O       22 TYR  HN      2.20
  13 SER  O       17 HIS  HN      2.20
   4 LEU  O        8 VAL   N      3.20 
   5 SER  O        9 LEU   N      3.20
   6 THR  O       10 GLY   N      3.20
   7 CYS  O       11 LYS   N      3.20
   8 VAL  O       12 LEU   N      3.20
   9 LEU  O       13 SER   N      3.20
  10 GLY  O       14 GLN   N      3.20
  11 LYS  O       15 GLU   N      3.20
  12 LEU  O       16 LEU   N      3.20
  14 GLN  O       18 LYS   N      3.20
  17 HIS  O       21 THR   N      3.20
  18 LYS  O       22 TYR   N      3.20
  13 SER  O       17 HIS   N      3.20

       




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1HN   CSU   1          H1        CYS   1 -16.256  -8.853  -7.795
    2   2HN   CSU   1          H2        CYS   1 -17.898  -9.292  -8.197
    3    HA   CSU   1           HA       CYS   1 -16.467  -6.811  -9.092
    4   1HB   CSU   1          HB1       CYS   1 -18.074  -7.510 -10.770
    5   2HB   CSU   1          HB2       CYS   1 -19.331  -7.772  -9.538
    6    HD2  CSU   1           H3       SO3  33 -20.081  -3.604 -11.745
    7    HXT  CSU   1           H3       CYS   1 -16.689  -9.195  -9.443
    8    H    SER   2           H        SER   2 -19.347  -7.951  -7.274
    9    HA   SER   2           HA       SER   2 -19.137  -5.691  -5.374
   10   1HB   SER   2          HB1       SER   2 -21.351  -6.469  -6.138
   11   2HB   SER   2          HB2       SER   2 -21.032  -8.078  -5.449
   12    HG   SER   2           HG       SER   2 -20.784  -7.032  -3.418
   13    H    ASN   3           H        ASN   3 -16.758  -7.180  -5.413
   14    HA   ASN   3           HA       ASN   3 -16.884  -9.041  -3.071
   15   1HB   ASN   3          HB1       ASN   3 -14.975 -10.145  -4.047
   16   2HB   ASN   3          HB2       ASN   3 -16.351 -10.159  -5.155
   17   1HD2  ASN   3          HD2       ASN   3 -13.258  -9.346  -7.100
   18   2HD2  ASN   3          HD2       ASN   3 -13.716 -10.669  -6.034
   19    H    LEU   4           H        LEU   4 -16.936  -6.686  -2.199
   20    HA   LEU   4           HA       LEU   4 -14.761  -4.991  -2.128
   21   1HB   LEU   4          HB1       LEU   4 -16.903  -5.674  -0.107
   22   2HB   LEU   4          HB2       LEU   4 -15.604  -4.583   0.360
   23    HG   LEU   4           HG       LEU   4 -17.649  -3.434  -0.393
   24   1HD1  LEU   4          HD1       LEU   4 -15.437  -2.332  -0.426
   25   2HD1  LEU   4          HD1       LEU   4 -16.532  -1.712  -1.671
   26   3HD1  LEU   4          HD1       LEU   4 -15.221  -2.813  -2.123
   27   1HD2  LEU   4          HD2       LEU   4 -16.933  -4.379  -3.203
   28   2HD2  LEU   4          HD2       LEU   4 -18.224  -3.259  -2.742
   29   3HD2  LEU   4          HD2       LEU   4 -18.317  -4.956  -2.240
   30    H    SER   5           H        SER   5 -15.207  -7.875  -0.082
   31    HA   SER   5           HA       SER   5 -12.918  -7.614   1.535
   32   1HB   SER   5          HB1       SER   5 -14.667  -9.306   1.890
   33   2HB   SER   5          HB2       SER   5 -14.143 -10.182   0.435
   34    HG   SER   5           HG       SER   5 -13.223 -10.991   2.408
   35    H    THR   6           H        THR   6 -13.180  -9.472  -1.587
   36    HA   THR   6           HA       THR   6 -10.482 -10.081  -1.860
   37    HB   THR   6           HB       THR   6 -12.386  -9.446  -4.141
   38    HG1  THR   6           HG1      THR   6 -12.356 -11.739  -2.474
   39   1HG2  THR   6          HG2       THR   6 -11.324 -11.416  -5.184
   40   2HG2  THR   6          HG2       THR   6 -10.289 -11.636  -3.759
   41   3HG2  THR   6          HG2       THR   6 -10.112 -10.188  -4.772
   42   1HN   CSU   7          H         CYS   7 -12.336  -7.229  -3.029
   43    HA   CSU   7           HA       CYS   7 -10.244  -5.991  -4.471
   44   1HB   CSU   7          HB1       CYS   7 -12.561  -5.261  -4.686
   45   2HB   CSU   7          HB2       CYS   7 -12.579  -4.708  -2.991
   46    HD2  CSU   7           H3       SO3  34 -11.948  -0.969  -5.883
   47    H    VAL   8           H        VAL   8 -11.245  -5.369  -1.035
   48    HA   VAL   8           HA       VAL   8  -9.145  -3.478  -0.684
   49    HB   VAL   8           HB       VAL   8 -11.273  -3.529   0.609
   50   1HG1  VAL   8          HG1       VAL   8 -11.293  -5.908   1.320
   51   2HG1  VAL   8          HG1       VAL   8 -11.408  -4.796   2.684
   52   3HG1  VAL   8          HG1       VAL   8  -9.874  -5.615   2.348
   53   1HG2  VAL   8          HG2       VAL   8  -9.371  -2.080   1.197
   54   2HG2  VAL   8          HG2       VAL   8  -8.693  -3.367   2.217
   55   3HG2  VAL   8          HG2       VAL   8 -10.245  -2.619   2.641
   56    H    LEU   9           H        LEU   9  -9.360  -6.992   0.088
   57    HA   LEU   9           HA       LEU   9  -6.798  -7.184   1.340
   58   1HB   LEU   9          HB1       LEU   9  -8.401  -9.153  -0.335
   59   2HB   LEU   9          HB2       LEU   9  -6.907  -9.591   0.496
   60    HG   LEU   9           HG       LEU   9  -9.318  -8.447   1.977
   61   1HD1  LEU   9          HD1       LEU   9  -8.544 -11.363   1.539
   62   2HD1  LEU   9          HD1       LEU   9  -9.958 -10.546   0.839
   63   3HD1  LEU   9          HD1       LEU   9  -9.850 -10.772   2.591
   64   1HD2  LEU   9          HD2       LEU   9  -8.231  -9.529   3.930
   65   2HD2  LEU   9          HD2       LEU   9  -7.202  -8.276   3.232
   66   3HD2  LEU   9          HD2       LEU   9  -6.854  -9.989   2.909
   67    H    GLY  10           H        GLY  10  -7.756  -7.496  -2.101
   68   1HA   GLY  10          HA1       GLY  10  -5.257  -7.983  -3.262
   69   2HA   GLY  10          HA2       GLY  10  -6.600  -7.111  -4.027
   70    H    LYS  11           H        LYS  11  -6.894  -4.813  -2.724
   71    HA   LYS  11           HA       LYS  11  -4.767  -3.123  -3.502
   72   1HB   LYS  11          HB1       LYS  11  -7.011  -2.766  -1.468
   73   2HB   LYS  11          HB2       LYS  11  -5.711  -1.591  -1.649
   74   1HG   LYS  11          HG1       LYS  11  -6.305  -1.614  -4.194
   75   2HG   LYS  11          HG2       LYS  11  -7.854  -2.307  -3.652
   76   1HD   LYS  11          HD1       LYS  11  -8.109  -0.377  -2.072
   77   2HD   LYS  11          HD2       LYS  11  -6.518   0.239  -2.579
   78   1HE   LYS  11          HE1       LYS  11  -7.403   0.449  -4.935
   79   2HE   LYS  11          HE2       LYS  11  -9.018   0.053  -4.315
   80   1HZ   LYS  11          HZ1       LYS  11  -8.841   1.995  -2.886
   81   2HZ   LYS  11          HZ2       LYS  11  -8.635   2.429  -4.461
   82   3HZ   LYS  11          HZ3       LYS  11  -7.334   2.323  -3.458
   83    H    LEU  12           H        LEU  12  -5.551  -4.035  -0.088
   84    HA   LEU  12           HA       LEU  12  -3.307  -2.842   1.033
   85   1HB   LEU  12          HB1       LEU  12  -4.799  -5.353   1.874
   86   2HB   LEU  12          HB2       LEU  12  -3.589  -4.565   2.891
   87    HG   LEU  12           HG       LEU  12  -6.082  -3.126   1.876
   88   1HD1  LEU  12          HD1       LEU  12  -5.585  -4.510   4.546
   89   2HD1  LEU  12          HD1       LEU  12  -6.723  -5.041   3.287
   90   3HD1  LEU  12          HD1       LEU  12  -6.997  -3.511   4.139
   91   1HD2  LEU  12          HD2       LEU  12  -4.075  -2.458   4.074
   92   2HD2  LEU  12          HD2       LEU  12  -5.581  -1.576   3.752
   93   3HD2  LEU  12          HD2       LEU  12  -4.294  -1.575   2.547
   94    H    SER  13           H        SER  13  -3.535  -6.217  -0.159
   95    HA   SER  13           HA       SER  13  -0.914  -7.027   0.433
   96   1HB   SER  13          HB1       SER  13  -2.726  -8.494  -0.378
   97   2HB   SER  13          HB2       SER  13  -2.617  -7.779  -1.990
   98    HG   SER  13           HG       SER  13  -0.484  -8.596  -2.117
   99    H    GLN  14           H        GLN  14  -2.060  -5.603  -2.717
  100    HA   GLN  14           HA       GLN  14   0.613  -5.556  -3.800
  101   1HB   GLN  14          HB1       GLN  14  -1.915  -4.056  -4.617
  102   2HB   GLN  14          HB2       GLN  14  -0.378  -4.031  -5.498
  103   1HG   GLN  14          HG1       GLN  14  -0.499  -6.550  -5.676
  104   2HG   GLN  14          HG2       GLN  14  -2.119  -6.471  -4.963
  105   1HE2  GLN  14          HE2       GLN  14  -3.224  -6.361  -8.344
  106   2HE2  GLN  14          HE2       GLN  14  -3.140  -7.311  -6.870
  107    H    GLU  15           H        GLU  15  -1.440  -3.019  -2.457
  108    HA   GLU  15           HA       GLU  15   0.185  -0.790  -2.843
  109   1HB   GLU  15          HB1       GLU  15  -2.287  -1.034  -2.304
  110   2HB   GLU  15          HB2       GLU  15  -1.845  -1.196  -0.601
  111   1HG   GLU  15          HG1       GLU  15  -0.956   1.098  -0.648
  112   2HG   GLU  15          HG2       GLU  15  -1.216   1.189  -2.403
  113    H    LEU  16           H        LEU  16  -0.159  -2.827   0.163
  114    HA   LEU  16           HA       LEU  16   1.931  -1.400   1.535
  115   1HB   LEU  16          HB1       LEU  16   0.840  -4.184   2.033
  116   2HB   LEU  16          HB2       LEU  16   1.899  -3.291   3.119
  117    HG   LEU  16           HG       LEU  16  -0.874  -2.298   2.296
  118   1HD1  LEU  16          HD1       LEU  16   0.029  -3.686   4.852
  119   2HD1  LEU  16          HD1       LEU  16  -1.005  -4.397   3.593
  120   3HD1  LEU  16          HD1       LEU  16  -1.584  -3.011   4.535
  121   1HD2  LEU  16          HD2       LEU  16   0.559  -0.443   2.992
  122   2HD2  LEU  16          HD2       LEU  16   1.081  -1.348   4.433
  123   3HD2  LEU  16          HD2       LEU  16  -0.602  -0.806   4.268
  124    H    HIS  17           H        HIS  17   1.948  -4.373  -0.549
  125    HA   HIS  17           HA       HIS  17   4.707  -4.855  -0.049
  126   1HB   HIS  17          HB1       HIS  17   3.201  -6.484  -1.133
  127   2HB   HIS  17          HB2       HIS  17   3.177  -5.480  -2.591
  128    HD1  HIS  17           HD1      HIS  17   6.446  -6.068  -0.620
  129    HD2  HIS  17           HD2      HIS  17   4.410  -7.377  -4.090
  130    HE1  HIS  17           HE1      HIS  17   8.135  -7.425  -1.991
  131    H    LYS  18           H        LYS  18   3.084  -2.677  -2.366
  132    HA   LYS  18           HA       LYS  18   5.445  -1.866  -3.756
  133   1HB   LYS  18          HB1       LYS  18   2.733  -0.585  -3.389
  134   2HB   LYS  18          HB2       LYS  18   4.025   0.179  -4.323
  135   1HG   LYS  18          HG1       LYS  18   4.157  -1.623  -5.869
  136   2HG   LYS  18          HG2       LYS  18   3.136  -2.674  -4.874
  137   1HD   LYS  18          HD1       LYS  18   1.223  -1.125  -5.153
  138   2HD   LYS  18          HD2       LYS  18   2.181  -0.095  -6.218
  139   1HE   LYS  18          HE1       LYS  18   1.464  -3.042  -6.709
  140   2HE   LYS  18          HE2       LYS  18   0.618  -1.662  -7.418
  141   1HZ   LYS  18          HZ1       LYS  18   2.662  -1.056  -8.532
  142   2HZ   LYS  18          HZ2       LYS  18   2.193  -2.578  -8.937
  143   3HZ   LYS  18          HZ3       LYS  18   3.441  -2.359  -7.891
  144    H    LEU  19           H        LEU  19   3.726  -0.472  -0.916
  145    HA   LEU  19           HA       LEU  19   5.393   1.667  -0.300
  146   1HB   LEU  19          HB1       LEU  19   3.430   1.293   0.985
  147   2HB   LEU  19          HB2       LEU  19   3.951  -0.313   1.464
  148    HG   LEU  19           HG       LEU  19   5.737   0.603   2.883
  149   1HD1  LEU  19          HD1       LEU  19   4.494   3.292   2.156
  150   2HD1  LEU  19          HD1       LEU  19   6.148   2.754   1.758
  151   3HD1  LEU  19          HD1       LEU  19   5.687   3.021   3.445
  152   1HD2  LEU  19          HD2       LEU  19   4.230   1.446   4.632
  153   2HD2  LEU  19          HD2       LEU  19   3.526   0.050   3.798
  154   3HD2  LEU  19          HD2       LEU  19   2.945   1.688   3.428
  155    H    GLN  20           H        GLN  20   5.978  -1.797   0.552
  156    HA   GLN  20           HA       GLN  20   8.472  -1.377   1.852
  157   1HB   GLN  20          HB1       GLN  20   7.643  -3.736   0.138
  158   2HB   GLN  20          HB2       GLN  20   9.001  -3.717   1.252
  159   1HG   GLN  20          HG1       GLN  20   7.603  -3.503   3.171
  160   2HG   GLN  20          HG2       GLN  20   6.155  -3.211   2.204
  161   1HE2  GLN  20          HE2       GLN  20   6.302  -6.830   3.333
  162   2HE2  GLN  20          HE2       GLN  20   6.503  -5.321   4.202
  163    H    THR  21           H        THR  21   7.780  -1.874  -1.649
  164    HA   THR  21           HA       THR  21  10.608  -1.901  -2.318
  165    HB   THR  21           HB       THR  21   9.819  -1.952  -4.651
  166    HG1  THR  21           HG1      THR  21   7.557  -1.004  -3.548
  167   1HG2  THR  21          HG2       THR  21   8.326  -3.880  -2.814
  168   2HG2  THR  21          HG2       THR  21  10.013  -4.049  -3.347
  169   3HG2  THR  21          HG2       THR  21   8.692  -4.125  -4.531
  170    H    TYR  22           H        TYR  22   8.231   0.690  -2.045
  171    HA   TYR  22           HA       TYR  22   9.330   2.503  -3.864
  172   1HB   TYR  22          HB1       TYR  22   7.694   2.737  -1.366
  173   2HB   TYR  22          HB2       TYR  22   8.552   4.181  -1.868
  174    HD1  TYR  22           HD1      TYR  22   6.936   1.606  -4.111
  175    HD2  TYR  22           HD2      TYR  22   6.921   5.655  -2.617
  176    HE1  TYR  22           HE1      TYR  22   5.129   2.181  -5.682
  177    HE2  TYR  22           HE2      TYR  22   5.115   6.226  -4.207
  178    HH   TYR  22           HH       TYR  22   3.740   3.848  -6.486
  179    HA   PRO  23           HA       PRO  23  13.339   3.345  -2.347
  180   1HB   PRO  23          HB1       PRO  23  13.853   5.882  -3.303
  181   2HB   PRO  23          HB2       PRO  23  13.765   4.422  -4.327
  182   1HG   PRO  23          HG1       PRO  23  11.578   6.458  -3.836
  183   2HG   PRO  23          HG2       PRO  23  12.120   5.777  -5.394
  184   1HD   PRO  23          HD1       PRO  23   9.945   4.786  -4.108
  185   2HD   PRO  23          HD2       PRO  23  11.080   3.692  -4.954
  186    H    ARG  24           H        ARG  24  11.036   6.070  -1.792
  187    HA   ARG  24           HA       ARG  24  11.463   5.930   1.011
  188   1HB   ARG  24          HB1       ARG  24  13.567   7.249   0.062
  189   2HB   ARG  24          HB2       ARG  24  12.435   8.564  -0.179
  190   1HG   ARG  24          HG1       ARG  24  13.605   8.797   1.923
  191   2HG   ARG  24          HG2       ARG  24  11.896   8.528   2.256
  192   1HD   ARG  24          HD1       ARG  24  12.295   6.572   3.358
  193   2HD   ARG  24          HD2       ARG  24  13.408   5.965   2.152
  194    HE   ARG  24           HE       ARG  24  14.031   7.401   4.612
  195   1HH1  ARG  24          HH1       ARG  24  17.505   7.283   4.030
  196   2HH1  ARG  24          HH1       ARG  24  16.261   7.592   5.196
  197   1HH2  ARG  24          HH2       ARG  24  15.224   6.497   1.418
  198   2HH2  ARG  24          HH2       ARG  24  16.907   6.643   1.815
  199    H    THR  25           H        THR  25   9.292   5.990   1.447
  200    HA   THR  25           HA       THR  25   7.480   7.921   0.215
  201    HB   THR  25           HB       THR  25   5.999   6.898   2.050
  202    HG1  THR  25           HG1      THR  25   6.998   4.959   2.946
  203   1HG2  THR  25          HG2       THR  25   5.710   4.821   0.846
  204   2HG2  THR  25          HG2       THR  25   7.371   4.874   0.216
  205   3HG2  THR  25          HG2       THR  25   6.155   6.052  -0.330
  206    H    ASN  26           H        ASN  26   9.604   7.717   2.976
  207    HA   ASN  26           HA       ASN  26   8.100   9.548   4.669
  208   1HB   ASN  26          HB1       ASN  26  10.795   8.153   4.896
  209   2HB   ASN  26          HB2       ASN  26  10.198   9.298   6.098
  210   1HD2  ASN  26          HD2       ASN  26   7.928   5.879   5.868
  211   2HD2  ASN  26          HD2       ASN  26   8.352   6.594   4.333
  212    H    THR  27           H        THR  27   8.201  11.057   2.588
  213    HA   THR  27           HA       THR  27  10.616  12.771   2.549
  214    HB   THR  27           HB       THR  27   9.355  13.591   0.463
  215    HG1  THR  27           HG1      THR  27   7.703  12.102  -0.193
  216   1HG2  THR  27          HG2       THR  27  11.203  11.952   0.316
  217   2HG2  THR  27          HG2       THR  27   9.924  11.556  -0.846
  218   3HG2  THR  27          HG2       THR  27  10.073  10.626   0.656
  219    H    GLY  28           H        GLY  28   7.774  12.742   4.292
  220   1HA   GLY  28          HA1       GLY  28   6.437  15.089   3.904
  221   2HA   GLY  28          HA2       GLY  28   6.656  14.347   5.496
  222    H    SER  29           H        SER  29   9.390  14.712   5.896
  223    HA   SER  29           HA       SER  29  10.384  17.270   5.229
  224   1HB   SER  29          HB1       SER  29  10.361  18.278   7.560
  225   2HB   SER  29          HB2       SER  29   8.796  18.285   6.743
  226    HG   SER  29           HG       SER  29   8.173  16.504   7.944
  227    H    GLY  30           H        GLY  30  10.666  15.968   8.473
  228   1HA   GLY  30          HA1       GLY  30  12.676  13.995   8.062
  229   2HA   GLY  30          HA2       GLY  30  13.467  15.555   8.380
  230    H    THR  31           H        THR  31  12.781  12.883   9.997
  231    HA   THR  31           HA       THR  31  11.301  13.825  12.267
  232    HB   THR  31           HB       THR  31  11.472  11.461  11.720
  233    HG1  THR  31           HG1      THR  31  11.899  10.772  13.839
  234   1HG2  THR  31          HG2       THR  31  14.391  11.578  12.611
  235   2HG2  THR  31          HG2       THR  31  13.860  11.362  10.931
  236   3HG2  THR  31          HG2       THR  31  13.474  10.138  12.147
  237    HA   PRO  32           HA       PRO  32  14.591  16.343  13.932
  238   1HB   PRO  32          HB1       PRO  32  13.877  16.581  16.576
  239   2HB   PRO  32          HB2       PRO  32  12.989  17.372  15.245
  240   1HG   PRO  32          HG1       PRO  32  12.322  14.735  16.584
  241   2HG   PRO  32          HG2       PRO  32  11.227  16.117  16.287
  242   1HD   PRO  32          HD1       PRO  32  11.296  13.997  14.609
  243   2HD   PRO  32          HD2       PRO  32  11.156  15.652  13.945
  244   1HN   NH2  33          H1        NH2  35  16.881  13.752  14.723
  245   2HN   NH2  33          H         NH2  35  16.243  14.732  13.454
  Start of MODEL    2
    1   2HN   CSU   1          H2        CYS   1 -16.631  -9.231  -7.527
    2    HA   CSU   1           HA       CYS   1 -17.228  -7.691 -10.041
    3   1HB   CSU   1          HB1       CYS   1 -18.739  -9.905  -8.584
    4   2HB   CSU   1          HB2       CYS   1 -19.479  -8.827  -9.785
    5    HD2  CSU   1           H3       SO3  33 -18.237 -12.928 -11.877
    6    HXT  CSU   1           H3       CYS   1 -15.854  -9.446  -9.068
    7    H    SER   2           H        SER   2 -18.095  -8.357  -6.645
    8    HA   SER   2           HA       SER   2 -18.295  -5.457  -6.197
    9   1HB   SER   2          HB1       SER   2 -20.640  -7.247  -5.413
   10   2HB   SER   2          HB2       SER   2 -20.473  -5.507  -5.114
   11    HG   SER   2           HG       SER   2 -20.105  -5.762  -7.682
   12    H    ASN   3           H        ASN   3 -16.526  -7.671  -5.598
   13    HA   ASN   3           HA       ASN   3 -17.206  -8.680  -2.956
   14   1HB   ASN   3          HB1       ASN   3 -14.861  -9.252  -4.812
   15   2HB   ASN   3          HB2       ASN   3 -15.298 -10.156  -3.347
   16   1HD2  ASN   3          HD2       ASN   3 -17.550 -12.213  -5.123
   17   2HD2  ASN   3          HD2       ASN   3 -16.499 -11.995  -3.734
   18    H    LEU   4           H        LEU   4 -17.065  -6.367  -2.193
   19    HA   LEU   4           HA       LEU   4 -14.926  -4.759  -1.987
   20   1HB   LEU   4          HB1       LEU   4 -17.245  -5.318  -0.218
   21   2HB   LEU   4          HB2       LEU   4 -15.881  -4.611   0.643
   22    HG   LEU   4           HG       LEU   4 -17.475  -2.933  -0.130
   23   1HD1  LEU   4          HD1       LEU   4 -15.090  -2.355   0.217
   24   2HD1  LEU   4          HD1       LEU   4 -15.881  -1.332  -0.993
   25   3HD1  LEU   4          HD1       LEU   4 -14.776  -2.612  -1.509
   26   1HD2  LEU   4          HD2       LEU   4 -18.214  -4.009  -2.235
   27   2HD2  LEU   4          HD2       LEU   4 -16.646  -3.640  -2.982
   28   3HD2  LEU   4          HD2       LEU   4 -17.714  -2.325  -2.469
   29    H    SER   5           H        SER   5 -15.363  -7.475   0.370
   30    HA   SER   5           HA       SER   5 -13.055  -7.150   1.833
   31   1HB   SER   5          HB1       SER   5 -14.137  -9.848   0.931
   32   2HB   SER   5          HB2       SER   5 -13.396  -9.417   2.481
   33    HG   SER   5           HG       SER   5 -15.231  -8.088   2.870
   34    H    THR   6           H        THR   6 -13.420  -9.123  -1.187
   35    HA   THR   6           HA       THR   6 -10.715  -9.938  -1.368
   36    HB   THR   6           HB       THR   6 -12.652  -9.507  -3.681
   37    HG1  THR   6           HG1      THR   6 -12.597 -11.637  -1.801
   38   1HG2  THR   6          HG2       THR   6 -11.621 -11.581  -4.533
   39   2HG2  THR   6          HG2       THR   6 -10.554 -11.665  -3.116
   40   3HG2  THR   6          HG2       THR   6 -10.391 -10.330  -4.277
   41   1HN   CSU   7          H         CYS   7 -12.494  -7.140  -2.743
   42    HA   CSU   7           HA       CYS   7 -10.386  -6.093  -4.331
   43   1HB   CSU   7          HB1       CYS   7 -12.637  -5.288  -4.621
   44   2HB   CSU   7          HB2       CYS   7 -12.708  -4.676  -2.957
   45    HD2  CSU   7           H3       SO3  34 -11.993  -1.047  -5.949
   46    H    VAL   8           H        VAL   8 -11.336  -5.178  -0.952
   47    HA   VAL   8           HA       VAL   8  -9.171  -3.338  -0.756
   48    HB   VAL   8           HB       VAL   8 -11.255  -3.196   0.569
   49   1HG1  VAL   8          HG1       VAL   8 -11.455  -4.354   2.698
   50   2HG1  VAL   8          HG1       VAL   8  -9.985  -5.293   2.390
   51   3HG1  VAL   8          HG1       VAL   8 -11.429  -5.528   1.382
   52   1HG2  VAL   8          HG2       VAL   8 -10.168  -2.254   2.548
   53   2HG2  VAL   8          HG2       VAL   8  -9.257  -1.844   1.083
   54   3HG2  VAL   8          HG2       VAL   8  -8.667  -3.123   2.167
   55    H    LEU   9           H        LEU   9  -9.470  -6.778   0.312
   56    HA   LEU   9           HA       LEU   9  -6.875  -6.938   1.492
   57   1HB   LEU   9          HB1       LEU   9  -8.588  -8.993   0.046
   58   2HB   LEU   9          HB2       LEU   9  -7.075  -9.405   0.855
   59    HG   LEU   9           HG       LEU   9  -9.396  -8.076   2.324
   60   1HD1  LEU   9          HD1       LEU   9  -8.703 -11.037   2.101
   61   2HD1  LEU   9          HD1       LEU   9 -10.126 -10.248   1.388
   62   3HD1  LEU   9          HD1       LEU   9  -9.954 -10.333   3.148
   63   1HD2  LEU   9          HD2       LEU   9  -7.228  -7.861   3.482
   64   2HD2  LEU   9          HD2       LEU   9  -6.931  -9.602   3.287
   65   3HD2  LEU   9          HD2       LEU   9  -8.255  -9.027   4.318
   66    H    GLY  10           H        GLY  10  -7.953  -7.493  -1.876
   67   1HA   GLY  10          HA1       GLY  10  -5.540  -8.210  -3.079
   68   2HA   GLY  10          HA2       GLY  10  -6.861  -7.322  -3.861
   69    H    LYS  11           H        LYS  11  -6.983  -4.910  -2.848
   70    HA   LYS  11           HA       LYS  11  -4.765  -3.432  -3.776
   71   1HB   LYS  11          HB1       LYS  11  -6.915  -2.731  -1.724
   72   2HB   LYS  11          HB2       LYS  11  -5.586  -1.638  -2.150
   73   1HG   LYS  11          HG1       LYS  11  -6.325  -1.833  -4.597
   74   2HG   LYS  11          HG2       LYS  11  -7.713  -2.751  -4.008
   75   1HD   LYS  11          HD1       LYS  11  -8.667  -0.661  -4.028
   76   2HD   LYS  11          HD2       LYS  11  -8.058  -0.659  -2.399
   77   1HE   LYS  11          HE1       LYS  11  -6.805   0.659  -4.867
   78   2HE   LYS  11          HE2       LYS  11  -7.631   1.473  -3.540
   79   1HZ   LYS  11          HZ1       LYS  11  -4.938   0.195  -3.422
   80   2HZ   LYS  11          HZ2       LYS  11  -5.709   0.674  -2.082
   81   3HZ   LYS  11          HZ3       LYS  11  -5.292   1.716  -3.216
   82    H    LEU  12           H        LEU  12  -5.591  -3.953  -0.290
   83    HA   LEU  12           HA       LEU  12  -3.324  -2.823   0.779
   84   1HB   LEU  12          HB1       LEU  12  -4.917  -5.227   1.731
   85   2HB   LEU  12          HB2       LEU  12  -3.648  -4.487   2.707
   86    HG   LEU  12           HG       LEU  12  -6.061  -2.921   1.694
   87   1HD1  LEU  12          HD1       LEU  12  -6.945  -3.197   3.994
   88   2HD1  LEU  12          HD1       LEU  12  -5.586  -4.272   4.388
   89   3HD1  LEU  12          HD1       LEU  12  -6.788  -4.761   3.171
   90   1HD2  LEU  12          HD2       LEU  12  -3.964  -2.337   3.834
   91   2HD2  LEU  12          HD2       LEU  12  -5.422  -1.368   3.536
   92   3HD2  LEU  12          HD2       LEU  12  -4.170  -1.466   2.296
   93    H    SER  13           H        SER  13  -3.612  -6.268  -0.168
   94    HA   SER  13           HA       SER  13  -1.005  -7.088   0.504
   95   1HB   SER  13          HB1       SER  13  -2.857  -8.580  -0.137
   96   2HB   SER  13          HB2       SER  13  -2.761  -8.009  -1.812
   97    HG   SER  13           HG       SER  13  -1.582  -9.970  -1.420
   98    H    GLN  14           H        GLN  14  -2.172  -5.909  -2.723
   99    HA   GLN  14           HA       GLN  14   0.409  -6.030  -3.962
  100   1HB   GLN  14          HB1       GLN  14  -2.083  -4.404  -4.607
  101   2HB   GLN  14          HB2       GLN  14  -0.662  -4.520  -5.659
  102   1HG   GLN  14          HG1       GLN  14  -0.942  -6.940  -5.856
  103   2HG   GLN  14          HG2       GLN  14  -2.309  -6.920  -4.742
  104   1HE2  GLN  14          HE2       GLN  14  -3.085  -6.347  -8.610
  105   2HE2  GLN  14          HE2       GLN  14  -1.590  -7.041  -8.007
  106    H    GLU  15           H        GLU  15  -1.303  -3.479  -2.260
  107    HA   GLU  15           HA       GLU  15   0.414  -1.336  -2.947
  108   1HB   GLU  15          HB1       GLU  15  -2.098  -1.609  -1.907
  109   2HB   GLU  15          HB2       GLU  15  -1.265  -1.160  -0.430
  110   1HG   GLU  15          HG1       GLU  15  -1.053   1.021  -1.199
  111   2HG   GLU  15          HG2       GLU  15  -0.787   0.535  -2.877
  112    H    LEU  16           H        LEU  16   0.140  -3.292   0.097
  113    HA   LEU  16           HA       LEU  16   2.384  -1.983   1.307
  114   1HB   LEU  16          HB1       LEU  16   2.268  -3.532   3.066
  115   2HB   LEU  16          HB2       LEU  16   0.648  -3.059   2.580
  116    HG   LEU  16           HG       LEU  16   0.700  -5.343   1.217
  117   1HD1  LEU  16          HD1       LEU  16   2.783  -5.836   3.383
  118   2HD1  LEU  16          HD1       LEU  16   2.995  -6.041   1.628
  119   3HD1  LEU  16          HD1       LEU  16   1.909  -7.107   2.507
  120   1HD2  LEU  16          HD2       LEU  16  -0.281  -6.453   3.184
  121   2HD2  LEU  16          HD2       LEU  16  -0.833  -4.776   3.090
  122   3HD2  LEU  16          HD2       LEU  16   0.432  -5.225   4.250
  123    H    HIS  17           H        HIS  17   2.068  -4.882  -0.751
  124    HA   HIS  17           HA       HIS  17   4.808  -5.675  -0.681
  125   1HB   HIS  17          HB1       HIS  17   3.310  -7.158  -1.732
  126   2HB   HIS  17          HB2       HIS  17   2.630  -5.902  -2.760
  127    HD1  HIS  17           HD1      HIS  17   3.841  -5.336  -5.001
  128    HD2  HIS  17           HD2      HIS  17   5.992  -7.858  -2.391
  129    HE1  HIS  17           HE1      HIS  17   5.983  -6.042  -6.256
  130    H    LYS  18           H        LYS  18   3.118  -3.243  -2.750
  131    HA   LYS  18           HA       LYS  18   5.458  -2.461  -4.179
  132   1HB   LYS  18          HB1       LYS  18   2.706  -1.526  -3.947
  133   2HB   LYS  18          HB2       LYS  18   3.809  -0.159  -3.845
  134   1HG   LYS  18          HG1       LYS  18   4.997  -1.053  -5.901
  135   2HG   LYS  18          HG2       LYS  18   3.681  -2.227  -6.085
  136   1HD   LYS  18          HD1       LYS  18   2.031  -0.411  -6.285
  137   2HD   LYS  18          HD2       LYS  18   3.271   0.785  -5.871
  138   1HE   LYS  18          HE1       LYS  18   4.540  -0.151  -7.976
  139   2HE   LYS  18          HE2       LYS  18   2.961  -0.796  -8.443
  140   1HZ   LYS  18          HZ1       LYS  18   3.601   2.027  -7.850
  141   2HZ   LYS  18          HZ2       LYS  18   2.116   1.480  -8.320
  142   3HZ   LYS  18          HZ3       LYS  18   3.394   1.385  -9.354
  143    H    LEU  19           H        LEU  19   3.940  -0.995  -1.282
  144    HA   LEU  19           HA       LEU  19   5.676   1.061  -0.816
  145   1HB   LEU  19          HB1       LEU  19   3.598   0.658   0.440
  146   2HB   LEU  19          HB2       LEU  19   4.326  -0.749   1.222
  147    HG   LEU  19           HG       LEU  19   5.968   0.697   2.374
  148   1HD1  LEU  19          HD1       LEU  19   4.463   2.983   1.014
  149   2HD1  LEU  19          HD1       LEU  19   6.181   2.573   0.802
  150   3HD1  LEU  19          HD1       LEU  19   5.605   3.175   2.359
  151   1HD2  LEU  19          HD2       LEU  19   3.812   0.139   3.430
  152   2HD2  LEU  19          HD2       LEU  19   3.076   1.588   2.710
  153   3HD2  LEU  19          HD2       LEU  19   4.371   1.749   3.917
  154    H    GLN  20           H        GLN  20   6.044  -2.276   0.569
  155    HA   GLN  20           HA       GLN  20   8.559  -1.599   1.768
  156   1HB   GLN  20          HB1       GLN  20   8.733  -3.862   2.421
  157   2HB   GLN  20          HB2       GLN  20   7.033  -3.393   2.521
  158   1HG   GLN  20          HG1       GLN  20   6.850  -4.426   0.124
  159   2HG   GLN  20          HG2       GLN  20   8.418  -5.169   0.469
  160   1HE2  GLN  20          HE2       GLN  20   5.043  -6.301   2.594
  161   2HE2  GLN  20          HE2       GLN  20   5.128  -4.715   1.816
  162    H    THR  21           H        THR  21   7.937  -1.968  -1.548
  163    HA   THR  21           HA       THR  21  10.830  -2.489  -2.059
  164    HB   THR  21           HB       THR  21  10.106  -3.309  -4.297
  165    HG1  THR  21           HG1      THR  21   7.536  -3.443  -3.070
  166   1HG2  THR  21          HG2       THR  21   9.498  -5.548  -3.538
  167   2HG2  THR  21          HG2       THR  21   9.028  -4.924  -1.944
  168   3HG2  THR  21          HG2       THR  21  10.727  -4.862  -2.459
  169    H    TYR  22           H        TYR  22   8.855   0.038  -1.626
  170    HA   TYR  22           HA       TYR  22   9.603   1.489  -4.088
  171   1HB   TYR  22          HB1       TYR  22   7.880   2.066  -1.666
  172   2HB   TYR  22          HB2       TYR  22   8.609   3.404  -2.519
  173    HD1  TYR  22           HD1      TYR  22   6.312   4.236  -2.768
  174    HD2  TYR  22           HD2      TYR  22   7.617   0.610  -4.717
  175    HE1  TYR  22           HE1      TYR  22   4.641   4.587  -4.546
  176    HE2  TYR  22           HE2      TYR  22   6.054   1.055  -6.566
  177    HH   TYR  22           HH       TYR  22   3.977   3.952  -6.611
  178    HA   PRO  23           HA       PRO  23  13.294   3.209  -2.260
  179   1HB   PRO  23          HB1       PRO  23  13.466   5.635  -3.539
  180   2HB   PRO  23          HB2       PRO  23  13.790   4.080  -4.354
  181   1HG   PRO  23          HG1       PRO  23  11.198   5.655  -4.375
  182   2HG   PRO  23          HG2       PRO  23  12.079   4.968  -5.772
  183   1HD   PRO  23          HD1       PRO  23   9.974   3.705  -4.609
  184   2HD   PRO  23          HD2       PRO  23  11.372   2.773  -5.219
  185    H    ARG  24           H        ARG  24  13.793   4.648  -0.557
  186    HA   ARG  24           HA       ARG  24  11.486   5.480   0.969
  187   1HB   ARG  24          HB1       ARG  24  13.604   4.322   1.831
  188   2HB   ARG  24          HB2       ARG  24  14.425   5.868   1.633
  189   1HG   ARG  24          HG1       ARG  24  13.817   5.725   3.906
  190   2HG   ARG  24          HG2       ARG  24  12.666   6.874   3.210
  191   1HD   ARG  24          HD1       ARG  24  10.955   5.064   3.082
  192   2HD   ARG  24          HD2       ARG  24  12.158   3.907   3.708
  193    HE   ARG  24           HE       ARG  24  11.907   6.126   5.492
  194   1HH1  ARG  24          HH1       ARG  24   9.593   4.597   7.670
  195   2HH1  ARG  24          HH1       ARG  24  10.741   5.880   7.480
  196   1HH2  ARG  24          HH2       ARG  24  10.111   3.301   4.401
  197   2HH2  ARG  24          HH2       ARG  24   9.221   3.079   5.875
  198    H    THR  25           H        THR  25  10.984   7.028  -0.957
  199    HA   THR  25           HA       THR  25  12.393   9.527  -1.182
  200    HB   THR  25           HB       THR  25  10.178  10.165  -2.320
  201    HG1  THR  25           HG1      THR  25   8.936   8.078  -2.666
  202   1HG2  THR  25          HG2       THR  25  12.060   9.210  -3.597
  203   2HG2  THR  25          HG2       THR  25  10.518   8.587  -4.206
  204   3HG2  THR  25          HG2       THR  25  11.546   7.571  -3.170
  205    H    ASN  26           H        ASN  26   9.438   8.532   0.428
  206    HA   ASN  26           HA       ASN  26   8.652  11.138   1.287
  207   1HB   ASN  26          HB1       ASN  26   7.675   8.337   1.923
  208   2HB   ASN  26          HB2       ASN  26   6.993   9.765   2.704
  209   1HD2  ASN  26          HD2       ASN  26   6.356   9.555  -1.361
  210   2HD2  ASN  26          HD2       ASN  26   7.907   8.969  -0.793
  211    H    THR  27           H        THR  27  10.717  11.735   2.227
  212    HA   THR  27           HA       THR  27  11.070  10.973   5.102
  213    HB   THR  27           HB       THR  27  13.446  11.768   4.592
  214    HG1  THR  27           HG1      THR  27  12.587  11.375   1.893
  215   1HG2  THR  27          HG2       THR  27  14.069   9.628   3.504
  216   2HG2  THR  27          HG2       THR  27  12.366   9.333   3.106
  217   3HG2  THR  27          HG2       THR  27  12.884   9.385   4.803
  218    H    GLY  28           H        GLY  28   9.134  12.610   5.027
  219   1HA   GLY  28          HA1       GLY  28   9.257  15.269   4.463
  220   2HA   GLY  28          HA2       GLY  28   8.385  14.626   5.865
  221    H    SER  29           H        SER  29  10.563  13.768   7.451
  222    HA   SER  29           HA       SER  29  11.920  14.534   9.094
  223   1HB   SER  29          HB1       SER  29  13.124  16.215   6.858
  224   2HB   SER  29          HB2       SER  29  13.924  15.641   8.329
  225    HG   SER  29           HG       SER  29  13.019  14.155   6.102
  226    H    GLY  30           H        GLY  30   9.547  15.808   9.356
  227   1HA   GLY  30          HA1       GLY  30   9.798  18.678   9.672
  228   2HA   GLY  30          HA2       GLY  30   8.580  17.623  10.415
  229    H    THR  31           H        THR  31   9.663  19.702  11.930
  230    HA   THR  31           HA       THR  31  11.799  18.676  13.648
  231    HB   THR  31           HB       THR  31  11.315  21.108  14.531
  232    HG1  THR  31           HG1      THR  31  10.313  22.368  12.955
  233   1HG2  THR  31          HG2       THR  31  13.341  20.447  13.270
  234   2HG2  THR  31          HG2       THR  31  12.740  22.020  12.717
  235   3HG2  THR  31          HG2       THR  31  12.442  20.565  11.742
  236    HA   PRO  32           HA       PRO  32   8.117  17.557  16.297
  237   1HB   PRO  32          HB1       PRO  32   9.313  15.574  17.770
  238   2HB   PRO  32          HB2       PRO  32   8.614  15.291  16.149
  239   1HG   PRO  32          HG1       PRO  32  11.517  15.873  16.819
  240   2HG   PRO  32          HG2       PRO  32  10.873  14.529  15.827
  241   1HD   PRO  32          HD1       PRO  32  11.797  16.753  14.652
  242   2HD   PRO  32          HD2       PRO  32  10.278  16.003  14.071
  243   1HN   NH2  33          H1        NH2  35   8.987  19.157  19.319
  244   2HN   NH2  33          H2        NH2  35   7.748  18.386  18.398
  Start of MODEL    3
    1   1HN   CSU   1          H1        CYS   1 -13.948  -8.021  -7.272
    2   2HN   CSU   1          H2        CYS   1 -14.543  -9.568  -7.822
    3    HA   CSU   1           HA       CYS   1 -14.436  -7.041  -9.433
    4   1HB   CSU   1          HB1       CYS   1 -15.587  -8.229 -11.176
    5   2HB   CSU   1          HB2       CYS   1 -14.159  -9.193 -10.739
    6    HD2  CSU   1           H3       SO3  33 -17.945 -12.026 -11.430
    7    HXT  CSU   1           H3       CYS   1 -13.128  -8.868  -8.551
    8    H    SER   2           H        SER   2 -16.191  -9.061  -7.185
    9    HA   SER   2           HA       SER   2 -18.193  -6.935  -6.838
   10   1HB   SER   2          HB1       SER   2 -18.981  -8.702  -8.632
   11   2HB   SER   2          HB2       SER   2 -19.193  -9.779  -7.240
   12    HG   SER   2           HG       SER   2 -20.382  -7.223  -7.686
   13    H    ASN   3           H        ASN   3 -16.007  -7.641  -5.306
   14    HA   ASN   3           HA       ASN   3 -17.170  -8.873  -2.850
   15   1HB   ASN   3          HB1       ASN   3 -14.655  -9.831  -4.284
   16   2HB   ASN   3          HB2       ASN   3 -15.182 -10.338  -2.670
   17   1HD2  ASN   3          HD2       ASN   3 -17.697 -12.561  -3.883
   18   2HD2  ASN   3          HD2       ASN   3 -17.108 -11.698  -2.475
   19    H    LEU   4           H        LEU   4 -17.095  -6.671  -2.144
   20    HA   LEU   4           HA       LEU   4 -14.995  -4.899  -2.200
   21   1HB   LEU   4          HB1       LEU   4 -17.181  -5.454  -0.186
   22   2HB   LEU   4          HB2       LEU   4 -15.908  -4.320   0.259
   23    HG   LEU   4           HG       LEU   4 -17.930  -3.249  -0.664
   24   1HD1  LEU   4          HD1       LEU   4 -15.424  -2.717  -2.320
   25   2HD1  LEU   4          HD1       LEU   4 -15.726  -2.122  -0.673
   26   3HD1  LEU   4          HD1       LEU   4 -16.768  -1.606  -2.012
   27   1HD2  LEU   4          HD2       LEU   4 -18.396  -3.245  -3.046
   28   2HD2  LEU   4          HD2       LEU   4 -18.500  -4.904  -2.424
   29   3HD2  LEU   4          HD2       LEU   4 -17.076  -4.384  -3.363
   30    H    SER   5           H        SER   5 -15.443  -7.363   0.439
   31    HA   SER   5           HA       SER   5 -13.227  -6.833   1.904
   32   1HB   SER   5          HB1       SER   5 -14.096  -9.685   1.323
   33   2HB   SER   5          HB2       SER   5 -13.591  -8.943   2.854
   34    HG   SER   5           HG       SER   5 -15.872  -9.146   2.751
   35    H    THR   6           H        THR   6 -13.353  -9.239  -0.817
   36    HA   THR   6           HA       THR   6 -10.639  -9.926  -0.797
   37    HB   THR   6           HB       THR   6 -12.451  -9.814  -3.235
   38    HG1  THR   6           HG1      THR   6 -12.440 -11.754  -1.168
   39   1HG2  THR   6          HG2       THR   6 -11.342 -11.946  -3.796
   40   2HG2  THR   6          HG2       THR   6 -10.345 -11.838  -2.328
   41   3HG2  THR   6          HG2       THR   6 -10.149 -10.644  -3.630
   42   1HN   CSU   7          HE        CYS   7 -12.400  -7.418  -2.681
   43    HA   CSU   7           HA       CYS   7 -10.226  -6.539  -4.253
   44   1HB   CSU   7          HB1       CYS   7 -12.524  -5.913  -4.775
   45   2HB   CSU   7          HB2       CYS   7 -12.661  -4.994  -3.256
   46    HD2  CSU   7           H3       SO3  34 -11.865  -1.993  -6.877
   47    H    VAL   8           H        VAL   8 -11.456  -5.160  -1.141
   48    HA   VAL   8           HA       VAL   8  -9.403  -3.196  -1.073
   49    HB   VAL   8           HB       VAL   8 -11.623  -3.032   0.063
   50   1HG1  VAL   8          HG1       VAL   8 -10.289  -4.615   2.314
   51   2HG1  VAL   8          HG1       VAL   8 -11.623  -5.196   1.292
   52   3HG1  VAL   8          HG1       VAL   8 -11.867  -3.807   2.356
   53   1HG2  VAL   8          HG2       VAL   8  -9.799  -1.417   0.415
   54   2HG2  VAL   8          HG2       VAL   8  -9.159  -2.418   1.736
   55   3HG2  VAL   8          HG2       VAL   8 -10.751  -1.651   1.891
   56    H    LEU   9           H        LEU   9  -9.608  -6.466   0.452
   57    HA   LEU   9           HA       LEU   9  -7.127  -6.285   1.859
   58   1HB   LEU   9          HB1       LEU   9  -8.583  -8.622   0.570
   59   2HB   LEU   9          HB2       LEU   9  -7.106  -8.828   1.511
   60    HG   LEU   9           HG       LEU   9  -9.584  -7.495   2.677
   61   1HD1  LEU   9          HD1       LEU   9 -10.145  -9.798   1.952
   62   2HD1  LEU   9          HD1       LEU   9 -10.077  -9.678   3.719
   63   3HD1  LEU   9          HD1       LEU   9  -8.732 -10.422   2.827
   64   1HD2  LEU   9          HD2       LEU   9  -8.528  -8.153   4.827
   65   2HD2  LEU   9          HD2       LEU   9  -7.503  -7.038   3.921
   66   3HD2  LEU   9          HD2       LEU   9  -7.120  -8.772   3.946
   67    H    GLY  10           H        GLY  10  -7.843  -7.436  -1.469
   68   1HA   GLY  10          HA1       GLY  10  -5.258  -8.067  -2.315
   69   2HA   GLY  10          HA2       GLY  10  -6.554  -7.460  -3.354
   70    H    LYS  11           H        LYS  11  -6.994  -4.934  -2.711
   71    HA   LYS  11           HA       LYS  11  -4.786  -3.483  -3.739
   72   1HB   LYS  11          HB1       LYS  11  -7.222  -2.527  -2.167
   73   2HB   LYS  11          HB2       LYS  11  -5.933  -1.460  -2.737
   74   1HG   LYS  11          HG1       LYS  11  -6.390  -2.617  -5.102
   75   2HG   LYS  11          HG2       LYS  11  -7.900  -3.120  -4.340
   76   1HD   LYS  11          HD1       LYS  11  -8.563  -1.188  -5.408
   77   2HD   LYS  11          HD2       LYS  11  -8.276  -0.622  -3.776
   78   1HE   LYS  11          HE1       LYS  11  -6.260  -0.371  -6.136
   79   2HE   LYS  11          HE2       LYS  11  -7.414   0.849  -5.628
   80   1HZ   LYS  11          HZ1       LYS  11  -6.340   0.838  -3.399
   81   2HZ   LYS  11          HZ2       LYS  11  -5.512   1.496  -4.641
   82   3HZ   LYS  11          HZ3       LYS  11  -5.001   0.156  -4.112
   83    H    LEU  12           H        LEU  12  -5.919  -3.469  -0.269
   84    HA   LEU  12           HA       LEU  12  -3.844  -1.901   0.715
   85   1HB   LEU  12          HB1       LEU  12  -5.290  -4.261   1.964
   86   2HB   LEU  12          HB2       LEU  12  -4.164  -3.249   2.872
   87    HG   LEU  12           HG       LEU  12  -6.624  -2.117   1.468
   88   1HD1  LEU  12          HD1       LEU  12  -6.238  -2.963   4.374
   89   2HD1  LEU  12          HD1       LEU  12  -7.293  -3.757   3.184
   90   3HD1  LEU  12          HD1       LEU  12  -7.652  -2.107   3.726
   91   1HD2  LEU  12          HD2       LEU  12  -4.757  -0.987   3.602
   92   2HD2  LEU  12          HD2       LEU  12  -6.263  -0.229   3.048
   93   3HD2  LEU  12          HD2       LEU  12  -4.913  -0.409   1.928
   94    H    SER  13           H        SER  13  -3.791  -5.462   0.293
   95    HA   SER  13           HA       SER  13  -1.185  -5.911   1.271
   96   1HB   SER  13          HB1       SER  13  -2.842  -7.673   0.770
   97   2HB   SER  13          HB2       SER  13  -2.654  -7.384  -0.966
   98    HG   SER  13           HG       SER  13  -1.338  -9.112  -0.166
   99    H    GLN  14           H        GLN  14  -2.186  -5.409  -2.186
  100    HA   GLN  14           HA       GLN  14   0.489  -5.422  -3.182
  101   1HB   GLN  14          HB1       GLN  14  -2.060  -4.190  -4.297
  102   2HB   GLN  14          HB2       GLN  14  -0.529  -4.322  -5.190
  103   1HG   GLN  14          HG1       GLN  14  -0.583  -6.776  -4.995
  104   2HG   GLN  14          HG2       GLN  14  -2.063  -6.702  -4.034
  105   1HE2  GLN  14          HE2       GLN  14  -2.256  -6.072  -8.103
  106   2HE2  GLN  14          HE2       GLN  14  -0.711  -5.959  -7.284
  107    H    GLU  15           H        GLU  15  -1.656  -2.749  -2.374
  108    HA   GLU  15           HA       GLU  15  -0.151  -0.583  -3.083
  109   1HB   GLU  15          HB1       GLU  15  -2.626  -0.834  -2.182
  110   2HB   GLU  15          HB2       GLU  15  -1.904  -0.442  -0.637
  111   1HG   GLU  15          HG1       GLU  15  -2.619   1.609  -1.490
  112   2HG   GLU  15          HG2       GLU  15  -0.926   1.630  -1.935
  113    H    LEU  16           H        LEU  16  -0.325  -2.126   0.223
  114    HA   LEU  16           HA       LEU  16   1.720  -0.426   1.263
  115   1HB   LEU  16          HB1       LEU  16   1.673  -1.611   3.243
  116   2HB   LEU  16          HB2       LEU  16   0.038  -1.515   2.626
  117    HG   LEU  16           HG       LEU  16   0.543  -3.959   1.720
  118   1HD1  LEU  16          HD1       LEU  16   1.981  -5.236   3.282
  119   2HD1  LEU  16          HD1       LEU  16   2.463  -3.730   4.089
  120   3HD1  LEU  16          HD1       LEU  16   2.956  -4.049   2.416
  121   1HD2  LEU  16          HD2       LEU  16   0.062  -3.345   4.660
  122   2HD2  LEU  16          HD2       LEU  16  -0.345  -4.864   3.831
  123   3HD2  LEU  16          HD2       LEU  16  -1.181  -3.366   3.391
  124    H    HIS  17           H        HIS  17   1.797  -3.660  -0.287
  125    HA   HIS  17           HA       HIS  17   4.516  -4.146   0.317
  126   1HB   HIS  17          HB1       HIS  17   2.831  -5.832  -0.417
  127   2HB   HIS  17          HB2       HIS  17   3.032  -5.258  -2.076
  128    HD1  HIS  17           HD1      HIS  17   6.424  -5.005  -1.295
  129    HD2  HIS  17           HD2      HIS  17   3.734  -8.265  -1.225
  130    HE1  HIS  17           HE1      HIS  17   7.858  -7.136  -1.385
  131    HE2  HIS  17           HE2      HIS  17   6.211  -9.113  -1.360
  132    H    LYS  18           H        LYS  18   3.040  -2.387  -2.431
  133    HA   LYS  18           HA       LYS  18   5.703  -1.974  -3.631
  134   1HB   LYS  18          HB1       LYS  18   4.634  -0.637  -5.313
  135   2HB   LYS  18          HB2       LYS  18   3.962  -2.256  -5.139
  136   1HG   LYS  18          HG1       LYS  18   1.987  -1.229  -5.296
  137   2HG   LYS  18          HG2       LYS  18   2.198  -0.924  -3.579
  138   1HD   LYS  18          HD1       LYS  18   3.240   1.313  -4.165
  139   2HD   LYS  18          HD2       LYS  18   2.831   0.954  -5.871
  140   1HE   LYS  18          HE1       LYS  18   0.426   0.559  -5.063
  141   2HE   LYS  18          HE2       LYS  18   0.941   1.208  -3.486
  142   1HZ   LYS  18          HZ1       LYS  18  -0.222   2.690  -4.873
  143   2HZ   LYS  18          HZ2       LYS  18   1.050   2.774  -5.968
  144   3HZ   LYS  18          HZ3       LYS  18   1.259   3.293  -4.425
  145    H    LEU  19           H        LEU  19   3.420  -0.056  -1.623
  146    HA   LEU  19           HA       LEU  19   4.718   2.402  -1.652
  147   1HB   LEU  19          HB1       LEU  19   2.587   2.082  -0.536
  148   2HB   LEU  19          HB2       LEU  19   3.321   0.948   0.609
  149    HG   LEU  19           HG       LEU  19   4.659   2.761   1.613
  150   1HD1  LEU  19          HD1       LEU  19   3.139   4.564  -0.329
  151   2HD1  LEU  19          HD1       LEU  19   4.897   4.291  -0.306
  152   3HD1  LEU  19          HD1       LEU  19   4.118   5.122   1.045
  153   1HD2  LEU  19          HD2       LEU  19   2.449   2.167   2.514
  154   2HD2  LEU  19          HD2       LEU  19   1.681   3.358   1.441
  155   3HD2  LEU  19          HD2       LEU  19   2.794   3.893   2.721
  156    H    GLN  20           H        GLN  20   5.363  -0.365   0.592
  157    HA   GLN  20           HA       GLN  20   7.466   0.884   1.974
  158   1HB   GLN  20          HB1       GLN  20   8.144  -1.349   2.706
  159   2HB   GLN  20          HB2       GLN  20   6.389  -1.118   2.760
  160   1HG   GLN  20          HG1       GLN  20   6.274  -2.255   0.506
  161   2HG   GLN  20          HG2       GLN  20   7.992  -2.629   0.635
  162   1HE2  GLN  20          HE2       GLN  20   5.468  -4.516   3.327
  163   2HE2  GLN  20          HE2       GLN  20   5.207  -2.819   2.951
  164    H    THR  21           H        THR  21   7.585  -0.378  -1.321
  165    HA   THR  21           HA       THR  21  10.559  -0.203  -1.340
  166    HB   THR  21           HB       THR  21  10.187  -1.177  -3.677
  167    HG1  THR  21           HG1      THR  21   7.765  -0.687  -3.391
  168   1HG2  THR  21          HG2       THR  21   9.292  -2.837  -1.282
  169   2HG2  THR  21          HG2       THR  21  10.981  -2.532  -1.747
  170   3HG2  THR  21          HG2       THR  21   9.910  -3.454  -2.823
  171    H    TYR  22           H        TYR  22   8.011   1.979  -1.771
  172    HA   TYR  22           HA       TYR  22   8.903   3.206  -4.232
  173   1HB   TYR  22          HB1       TYR  22   7.222   4.171  -1.882
  174   2HB   TYR  22          HB2       TYR  22   7.662   5.233  -3.196
  175    HD1  TYR  22           HD1      TYR  22   5.032   5.331  -2.806
  176    HD2  TYR  22           HD2      TYR  22   7.107   2.157  -4.875
  177    HE1  TYR  22           HE1      TYR  22   3.128   5.091  -4.368
  178    HE2  TYR  22           HE2      TYR  22   5.274   2.012  -6.490
  179    HH   TYR  22           HH       TYR  22   3.345   3.131  -7.293
  180    HA   PRO  23           HA       PRO  23  12.509   5.296  -2.924
  181   1HB   PRO  23          HB1       PRO  23  12.462   7.641  -4.377
  182   2HB   PRO  23          HB2       PRO  23  12.808   6.030  -5.075
  183   1HG   PRO  23          HG1       PRO  23  10.150   7.483  -5.020
  184   2HG   PRO  23          HG2       PRO  23  10.948   6.709  -6.425
  185   1HD   PRO  23          HD1       PRO  23   9.028   5.420  -5.045
  186   2HD   PRO  23          HD2       PRO  23  10.480   4.524  -5.581
  187    H    ARG  24           H        ARG  24  12.912   6.303  -1.034
  188    HA   ARG  24           HA       ARG  24  10.752   7.581   0.347
  189   1HB   ARG  24          HB1       ARG  24  12.487   6.014   1.320
  190   2HB   ARG  24          HB2       ARG  24  13.659   7.326   1.199
  191   1HG   ARG  24          HG1       ARG  24  12.835   7.261   3.434
  192   2HG   ARG  24          HG2       ARG  24  12.180   8.723   2.707
  193   1HD   ARG  24          HD1       ARG  24   9.991   7.793   2.482
  194   2HD   ARG  24          HD2       ARG  24  10.542   6.137   2.680
  195    HE   ARG  24           HE       ARG  24   9.804   8.042   4.725
  196   1HH1  ARG  24          HH1       ARG  24  10.740   5.921   7.392
  197   2HH1  ARG  24          HH1       ARG  24   9.790   7.294   6.929
  198   1HH2  ARG  24          HH2       ARG  24  11.925   5.306   4.100
  199   2HH2  ARG  24          HH2       ARG  24  11.955   4.713   5.731
  200    H    THR  25           H        THR  25  10.389   9.401  -1.112
  201    HA   THR  25           HA       THR  25  12.060  11.575  -1.596
  202    HB   THR  25           HB       THR  25   9.817  12.871  -1.394
  203    HG1  THR  25           HG1      THR  25   8.025  11.512  -1.118
  204   1HG2  THR  25          HG2       THR  25   9.939  10.373  -3.154
  205   2HG2  THR  25          HG2       THR  25  10.658  11.954  -3.535
  206   3HG2  THR  25          HG2       THR  25   8.897  11.786  -3.418
  207    H    ASN  26           H        ASN  26  10.300  10.820   1.396
  208    HA   ASN  26           HA       ASN  26  10.929  13.248   2.779
  209   1HB   ASN  26          HB1       ASN  26   9.923  10.499   3.639
  210   2HB   ASN  26          HB2       ASN  26  10.348  11.730   4.827
  211   1HD2  ASN  26          HD2       ASN  26   7.281  13.307   4.653
  212   2HD2  ASN  26          HD2       ASN  26   8.684  12.853   5.624
  213    H    THR  27           H        THR  27  13.336  13.032   1.905
  214    HA   THR  27           HA       THR  27  15.160  11.727   3.729
  215    HB   THR  27           HB       THR  27  15.684  14.145   1.949
  216    HG1  THR  27           HG1      THR  27  16.025  12.638   0.322
  217   1HG2  THR  27          HG2       THR  27  17.931  13.123   1.750
  218   2HG2  THR  27          HG2       THR  27  17.435  11.777   2.796
  219   3HG2  THR  27          HG2       THR  27  17.559  13.424   3.455
  220    H    GLY  28           H        GLY  28  13.525  12.615   5.502
  221   1HA   GLY  28          HA1       GLY  28  14.674  14.395   7.311
  222   2HA   GLY  28          HA2       GLY  28  13.749  15.431   6.203
  223    H    SER  29           H        SER  29  13.371  12.358   8.008
  224    HA   SER  29           HA       SER  29  11.043  13.350   9.388
  225   1HB   SER  29          HB1       SER  29  10.650  10.976   7.470
  226   2HB   SER  29          HB2       SER  29   9.511  11.532   8.707
  227    HG   SER  29           HG       SER  29  10.155  13.643   7.245
  228    H    GLY  30           H        GLY  30  12.647  10.253   8.444
  229   1HA   GLY  30          HA1       GLY  30  13.738   8.693   9.685
  230   2HA   GLY  30          HA2       GLY  30  13.946   9.906  10.954
  231    H    THR  31           H        THR  31  12.074  10.269  12.393
  232    HA   THR  31           HA       THR  31  10.551   7.754  13.025
  233    HB   THR  31           HB       THR  31  10.715   8.586  15.367
  234    HG1  THR  31           HG1      THR  31  11.132  10.752  14.818
  235   1HG2  THR  31          HG2       THR  31  13.049   7.955  15.735
  236   2HG2  THR  31          HG2       THR  31  13.430   8.191  14.021
  237   3HG2  THR  31          HG2       THR  31  12.328   6.885  14.516
  238    HA   PRO  32           HA       PRO  32   7.618  11.313  12.127
  239   1HB   PRO  32          HB1       PRO  32   5.737   9.924  10.695
  240   2HB   PRO  32          HB2       PRO  32   7.223  10.581   9.953
  241   1HG   PRO  32          HG1       PRO  32   6.759   7.758  10.963
  242   2HG   PRO  32          HG2       PRO  32   7.399   8.252   9.367
  243   1HD   PRO  32          HD1       PRO  32   9.049   7.534  11.388
  244   2HD   PRO  32          HD2       PRO  32   9.479   8.908  10.324
  245   1HN   NH2  33          H1        NH2  35   5.111  10.590  14.510
  246   2HN   NH2  33          H2        NH2  35   5.771  11.753  13.419
  Start of MODEL    4
    1   1HN   CSU   1          H2        CYS   1 -16.170  -7.712 -10.949
    2   2HN   CSU   1          H1        CYS   1 -15.716  -9.274 -10.316
    3    HA   CSU   1           HA       CYS   1 -14.070  -8.226  -8.865
    4   1HB   CSU   1          HB1       CYS   1 -15.146  -5.648 -10.097
    5   2HB   CSU   1          HB2       CYS   1 -14.144  -5.703  -8.631
    6    HD2  CSU   1           H3       SO3  33 -11.395  -4.647 -12.361
    7    HXT  CSU   1           H3       CYS   1 -14.574  -8.338 -11.233
    8    H    SER   2           H        SER   2 -17.013  -9.094  -9.157
    9    HA   SER   2           HA       SER   2 -18.549  -7.497  -7.304
   10   1HB   SER   2          HB1       SER   2 -20.161  -9.423  -7.657
   11   2HB   SER   2          HB2       SER   2 -19.596  -8.655  -9.148
   12    HG   SER   2           HG       SER   2 -18.577 -11.024  -7.980
   13    H    ASN   3           H        ASN   3 -16.525  -7.772  -5.708
   14    HA   ASN   3           HA       ASN   3 -17.376  -9.565  -3.559
   15   1HB   ASN   3          HB1       ASN   3 -16.228 -11.181  -4.958
   16   2HB   ASN   3          HB2       ASN   3 -14.806 -10.129  -5.075
   17   1HD2  ASN   3          HD2       ASN   3 -13.964 -12.698  -2.624
   18   2HD2  ASN   3          HD2       ASN   3 -14.680 -12.811  -4.217
   19    H    LEU   4           H        LEU   4 -17.408  -7.848  -2.177
   20    HA   LEU   4           HA       LEU   4 -15.558  -5.737  -2.010
   21   1HB   LEU   4          HB1       LEU   4 -17.493  -7.010  -0.051
   22   2HB   LEU   4          HB2       LEU   4 -16.409  -5.738   0.486
   23    HG   LEU   4           HG       LEU   4 -18.673  -4.957  -0.102
   24   1HD1  LEU   4          HD1       LEU   4 -16.736  -3.428  -0.059
   25   2HD1  LEU   4          HD1       LEU   4 -17.962  -2.932  -1.236
   26   3HD1  LEU   4          HD1       LEU   4 -16.470  -3.703  -1.794
   27   1HD2  LEU   4          HD2       LEU   4 -19.091  -6.399  -2.084
   28   2HD2  LEU   4          HD2       LEU   4 -17.899  -5.448  -3.008
   29   3HD2  LEU   4          HD2       LEU   4 -19.374  -4.680  -2.402
   30    H    SER   5           H        SER   5 -15.647  -8.746  -0.055
   31    HA   SER   5           HA       SER   5 -13.547  -8.050   1.679
   32   1HB   SER   5          HB1       SER   5 -15.123  -9.901   2.072
   33   2HB   SER   5          HB2       SER   5 -14.364 -10.844   0.768
   34    HG   SER   5           HG       SER   5 -13.539 -11.346   2.875
   35    H    THR   6           H        THR   6 -13.316 -10.253  -1.189
   36    HA   THR   6           HA       THR   6 -10.499 -10.474  -1.023
   37    HB   THR   6           HB       THR   6 -12.253 -10.823  -3.479
   38    HG1  THR   6           HG1      THR   6 -11.664 -12.535  -1.280
   39   1HG2  THR   6          HG2       THR   6  -9.817 -10.995  -3.942
   40   2HG2  THR   6          HG2       THR   6 -10.617 -12.571  -4.069
   41   3HG2  THR   6          HG2       THR   6  -9.647 -12.183  -2.632
   42   1HN   CSU   7          H         CYS   7 -12.600  -8.134  -2.821
   43    HA   CSU   7           HA       CYS   7 -10.507  -6.877  -4.253
   44   1HB   CSU   7          HB1       CYS   7 -12.810  -6.381  -4.790
   45   2HB   CSU   7          HB2       CYS   7 -13.094  -5.699  -3.170
   46    HD2  CSU   7           H3       SO3  34 -12.448  -2.171  -6.314
   47    H    VAL   8           H        VAL   8 -11.895  -5.899  -1.025
   48    HA   VAL   8           HA       VAL   8 -10.005  -3.796  -0.781
   49    HB   VAL   8           HB       VAL   8 -12.173  -3.850   0.386
   50   1HG1  VAL   8          HG1       VAL   8 -12.406  -4.927   2.561
   51   2HG1  VAL   8          HG1       VAL   8 -10.823  -5.705   2.404
   52   3HG1  VAL   8          HG1       VAL   8 -12.154  -6.146   1.314
   53   1HG2  VAL   8          HG2       VAL   8 -11.375  -2.696   2.387
   54   2HG2  VAL   8          HG2       VAL   8 -10.379  -2.257   0.989
   55   3HG2  VAL   8          HG2       VAL   8  -9.762  -3.409   2.194
   56    H    LEU   9           H        LEU   9  -9.923  -7.166   0.474
   57    HA   LEU   9           HA       LEU   9  -7.470  -6.921   1.901
   58   1HB   LEU   9          HB1       LEU   9  -8.712  -9.248   0.388
   59   2HB   LEU   9          HB2       LEU   9  -7.255  -9.411   1.370
   60    HG   LEU   9           HG       LEU   9  -9.887  -8.379   2.518
   61   1HD1  LEU   9          HD1       LEU   9  -8.778 -11.218   2.511
   62   2HD1  LEU   9          HD1       LEU   9 -10.211 -10.656   1.622
   63   3HD1  LEU   9          HD1       LEU   9 -10.218 -10.659   3.392
   64   1HD2  LEU   9          HD2       LEU   9  -8.857  -9.085   4.667
   65   2HD2  LEU   9          HD2       LEU   9  -7.909  -7.819   3.886
   66   3HD2  LEU   9          HD2       LEU   9  -7.362  -9.508   3.811
   67    H    GLY  10           H        GLY  10  -8.070  -7.792  -1.545
   68   1HA   GLY  10          HA1       GLY  10  -5.399  -8.080  -2.379
   69   2HA   GLY  10          HA2       GLY  10  -6.757  -7.545  -3.389
   70    H    LYS  11           H        LYS  11  -7.490  -5.161  -2.397
   71    HA   LYS  11           HA       LYS  11  -5.672  -3.352  -3.488
   72   1HB   LYS  11          HB1       LYS  11  -8.212  -3.103  -2.891
   73   2HB   LYS  11          HB2       LYS  11  -7.644  -2.521  -1.329
   74   1HG   LYS  11          HG1       LYS  11  -7.323  -1.320  -4.089
   75   2HG   LYS  11          HG2       LYS  11  -8.053  -0.615  -2.632
   76   1HD   LYS  11          HD1       LYS  11  -5.666  -0.622  -1.633
   77   2HD   LYS  11          HD2       LYS  11  -5.118  -1.073  -3.260
   78   1HE   LYS  11          HE1       LYS  11  -4.805   1.129  -3.446
   79   2HE   LYS  11          HE2       LYS  11  -6.471   1.112  -4.013
   80   1HZ   LYS  11          HZ1       LYS  11  -7.097   2.140  -1.963
   81   2HZ   LYS  11          HZ2       LYS  11  -5.501   2.664  -2.116
   82   3HZ   LYS  11          HZ3       LYS  11  -5.791   1.471  -1.160
   83    H    LEU  12           H        LEU  12  -6.379  -3.924   0.006
   84    HA   LEU  12           HA       LEU  12  -4.387  -2.203   1.045
   85   1HB   LEU  12          HB1       LEU  12  -5.621  -4.759   2.146
   86   2HB   LEU  12          HB2       LEU  12  -4.549  -3.723   3.092
   87    HG   LEU  12           HG       LEU  12  -7.147  -2.715   1.854
   88   1HD1  LEU  12          HD1       LEU  12  -8.097  -2.957   4.128
   89   2HD1  LEU  12          HD1       LEU  12  -6.596  -3.733   4.675
   90   3HD1  LEU  12          HD1       LEU  12  -7.618  -4.526   3.457
   91   1HD2  LEU  12          HD2       LEU  12  -5.566  -0.903   2.398
   92   2HD2  LEU  12          HD2       LEU  12  -5.307  -1.589   4.017
   93   3HD2  LEU  12          HD2       LEU  12  -6.888  -0.920   3.567
   94    H    SER  13           H        SER  13  -4.216  -5.722   0.350
   95    HA   SER  13           HA       SER  13  -1.582  -6.148   1.197
   96   1HB   SER  13          HB1       SER  13  -3.206  -7.921   0.525
   97   2HB   SER  13          HB2       SER  13  -2.981  -7.467  -1.172
   98    HG   SER  13           HG       SER  13  -1.008  -8.450   0.628
   99    H    GLN  14           H        GLN  14  -2.689  -5.308  -2.139
  100    HA   GLN  14           HA       GLN  14  -0.104  -5.073  -3.287
  101   1HB   GLN  14          HB1       GLN  14  -2.773  -3.745  -3.920
  102   2HB   GLN  14          HB2       GLN  14  -1.351  -3.533  -4.942
  103   1HG   GLN  14          HG1       GLN  14  -2.452  -6.296  -4.278
  104   2HG   GLN  14          HG2       GLN  14  -3.055  -5.313  -5.618
  105   1HE2  GLN  14          HE2       GLN  14  -0.650  -7.199  -7.456
  106   2HE2  GLN  14          HE2       GLN  14  -2.336  -7.177  -6.966
  107    H    GLU  15           H        GLU  15  -2.240  -2.544  -1.942
  108    HA   GLU  15           HA       GLU  15  -0.592  -0.343  -2.491
  109   1HB   GLU  15          HB1       GLU  15  -2.996  -0.366  -1.914
  110   2HB   GLU  15          HB2       GLU  15  -2.603  -0.670  -0.218
  111   1HG   GLU  15          HG1       GLU  15  -1.602   1.528  -0.006
  112   2HG   GLU  15          HG2       GLU  15  -1.591   1.756  -1.765
  113    H    LEU  16           H        LEU  16  -0.875  -2.193   0.598
  114    HA   LEU  16           HA       LEU  16   1.229  -0.773   1.931
  115   1HB   LEU  16          HB1       LEU  16   0.116  -3.567   2.353
  116   2HB   LEU  16          HB2       LEU  16   1.216  -2.755   3.471
  117    HG   LEU  16           HG       LEU  16  -1.524  -1.632   2.708
  118   1HD1  LEU  16          HD1       LEU  16  -2.286  -2.478   4.885
  119   2HD1  LEU  16          HD1       LEU  16  -0.705  -3.244   5.158
  120   3HD1  LEU  16          HD1       LEU  16  -1.758  -3.809   3.841
  121   1HD2  LEU  16          HD2       LEU  16  -0.011   0.104   3.556
  122   2HD2  LEU  16          HD2       LEU  16   0.439  -0.925   4.935
  123   3HD2  LEU  16          HD2       LEU  16  -1.213  -0.294   4.784
  124    H    HIS  17           H        HIS  17   1.230  -3.849   0.059
  125    HA   HIS  17           HA       HIS  17   3.957  -4.462   0.431
  126   1HB   HIS  17          HB1       HIS  17   2.268  -5.990  -0.512
  127   2HB   HIS  17          HB2       HIS  17   2.224  -5.041  -2.003
  128    HD1  HIS  17           HD1      HIS  17   5.429  -4.810  -2.447
  129    HD2  HIS  17           HD2      HIS  17   3.217  -8.242  -1.365
  130    HE1  HIS  17           HE1      HIS  17   6.814  -6.845  -3.202
  131    H    LYS  18           H        LYS  18   2.386  -2.196  -1.827
  132    HA   LYS  18           HA       LYS  18   4.826  -1.648  -3.296
  133   1HB   LYS  18          HB1       LYS  18   2.427  -1.457  -4.129
  134   2HB   LYS  18          HB2       LYS  18   2.303   0.045  -3.197
  135   1HG   LYS  18          HG1       LYS  18   4.269   0.935  -4.501
  136   2HG   LYS  18          HG2       LYS  18   4.311  -0.587  -5.410
  137   1HD   LYS  18          HD1       LYS  18   1.951  -0.187  -6.144
  138   2HD   LYS  18          HD2       LYS  18   1.975   1.376  -5.301
  139   1HE   LYS  18          HE1       LYS  18   3.872   2.121  -6.754
  140   2HE   LYS  18          HE2       LYS  18   3.856   0.553  -7.579
  141   1HZ   LYS  18          HZ1       LYS  18   1.633   1.045  -8.345
  142   2HZ   LYS  18          HZ2       LYS  18   2.688   2.207  -8.830
  143   3HZ   LYS  18          HZ3       LYS  18   1.652   2.510  -7.592
  144    H    LEU  19           H        LEU  19   2.967  -0.029  -0.708
  145    HA   LEU  19           HA       LEU  19   4.147   2.403  -0.536
  146   1HB   LEU  19          HB1       LEU  19   2.211   1.743   0.762
  147   2HB   LEU  19          HB2       LEU  19   3.195   0.645   1.738
  148    HG   LEU  19           HG       LEU  19   4.448   2.545   2.686
  149   1HD1  LEU  19          HD1       LEU  19   3.595   4.865   2.315
  150   2HD1  LEU  19          HD1       LEU  19   2.565   4.261   1.001
  151   3HD1  LEU  19          HD1       LEU  19   4.337   4.189   0.864
  152   1HD2  LEU  19          HD2       LEU  19   2.409   1.703   3.788
  153   2HD2  LEU  19          HD2       LEU  19   1.425   2.858   2.863
  154   3HD2  LEU  19          HD2       LEU  19   2.615   3.444   4.045
  155    H    GLN  20           H        GLN  20   5.232  -0.493   1.264
  156    HA   GLN  20           HA       GLN  20   7.482   0.551   2.549
  157   1HB   GLN  20          HB1       GLN  20   8.380  -1.792   2.478
  158   2HB   GLN  20          HB2       GLN  20   6.717  -1.652   3.076
  159   1HG   GLN  20          HG1       GLN  20   5.809  -2.372   0.947
  160   2HG   GLN  20          HG2       GLN  20   7.408  -2.363   0.191
  161   1HE2  GLN  20          HE2       GLN  20   6.753  -5.852   0.743
  162   2HE2  GLN  20          HE2       GLN  20   6.291  -4.485  -0.304
  163    H    THR  21           H        THR  21   7.173  -0.178  -0.891
  164    HA   THR  21           HA       THR  21  10.077   0.364  -1.360
  165    HB   THR  21           HB       THR  21   9.443  -0.830  -3.587
  166    HG1  THR  21           HG1      THR  21   7.094  -0.728  -2.830
  167   1HG2  THR  21          HG2       THR  21   9.752  -3.059  -2.586
  168   2HG2  THR  21          HG2       THR  21   9.446  -2.392  -0.970
  169   3HG2  THR  21          HG2       THR  21  10.873  -1.873  -1.889
  170    H    TYR  22           H        TYR  22   7.555   2.280  -1.073
  171    HA   TYR  22           HA       TYR  22   7.206   3.283  -3.743
  172   1HB   TYR  22          HB1       TYR  22   5.733   3.437  -1.573
  173   2HB   TYR  22          HB2       TYR  22   6.656   4.885  -1.218
  174    HD1  TYR  22           HD1      TYR  22   5.896   6.955  -2.276
  175    HD2  TYR  22           HD2      TYR  22   4.453   3.142  -3.670
  176    HE1  TYR  22           HE1      TYR  22   4.288   8.107  -3.753
  177    HE2  TYR  22           HE2      TYR  22   2.813   4.303  -5.133
  178    HH   TYR  22           HH       TYR  22   2.580   7.855  -5.292
  179    HA   PRO  23           HA       PRO  23  10.733   6.191  -3.800
  180   1HB   PRO  23          HB1       PRO  23   9.567   8.433  -4.965
  181   2HB   PRO  23          HB2       PRO  23  10.149   7.007  -5.872
  182   1HG   PRO  23          HG1       PRO  23   7.325   7.561  -4.920
  183   2HG   PRO  23          HG2       PRO  23   7.851   7.079  -6.563
  184   1HD   PRO  23          HD1       PRO  23   6.920   5.226  -4.893
  185   2HD   PRO  23          HD2       PRO  23   8.401   4.863  -5.801
  186    H    ARG  24           H        ARG  24  11.344   8.148  -2.650
  187    HA   ARG  24           HA       ARG  24  10.054   8.119  -0.082
  188   1HB   ARG  24          HB1       ARG  24  12.508   8.064  -0.531
  189   2HB   ARG  24          HB2       ARG  24  12.413   9.764  -1.034
  190   1HG   ARG  24          HG1       ARG  24  11.674  10.377   1.258
  191   2HG   ARG  24          HG2       ARG  24  11.584   8.690   1.714
  192   1HD   ARG  24          HD1       ARG  24  13.673  10.112   2.428
  193   2HD   ARG  24          HD2       ARG  24  13.851   8.444   1.900
  194    HE   ARG  24           HE       ARG  24  15.120   9.063   0.175
  195   1HH1  ARG  24          HH1       ARG  24  16.182  12.177  -1.003
  196   2HH1  ARG  24          HH1       ARG  24  16.540  10.484  -0.904
  197   1HH2  ARG  24          HH2       ARG  24  13.163  12.010   0.847
  198   2HH2  ARG  24          HH2       ARG  24  14.313  13.050   0.107
  199    H    THR  25           H        THR  25   8.035   9.105  -1.466
  200    HA   THR  25           HA       THR  25   7.815  11.889  -1.781
  201    HB   THR  25           HB       THR  25   5.635   9.972  -0.821
  202    HG1  THR  25           HG1      THR  25   6.727  10.373  -3.401
  203   1HG2  THR  25          HG2       THR  25   4.956  12.356  -0.956
  204   2HG2  THR  25          HG2       THR  25   4.173  11.381  -2.213
  205   3HG2  THR  25          HG2       THR  25   5.542  12.432  -2.632
  206    H    ASN  26           H        ASN  26   6.947   9.849   1.075
  207    HA   ASN  26           HA       ASN  26   6.742  12.210   2.802
  208   1HB   ASN  26          HB1       ASN  26   5.280  10.269   3.195
  209   2HB   ASN  26          HB2       ASN  26   6.698   9.251   3.500
  210   1HD2  ASN  26          HD2       ASN  26   5.748  12.197   6.269
  211   2HD2  ASN  26          HD2       ASN  26   5.336  12.459   4.587
  212    H    THR  27           H        THR  27   8.939  12.901   2.059
  213    HA   THR  27           HA       THR  27  11.246  11.663   3.395
  214    HB   THR  27           HB       THR  27  10.856  14.416   2.160
  215    HG1  THR  27           HG1      THR  27  10.801  12.500   0.754
  216   1HG2  THR  27          HG2       THR  27  12.749  14.539   3.730
  217   2HG2  THR  27          HG2       THR  27  13.365  14.430   2.085
  218   3HG2  THR  27          HG2       THR  27  13.386  12.995   3.135
  219    H    GLY  28           H        GLY  28   9.862  11.339   5.359
  220   1HA   GLY  28          HA1       GLY  28   9.292  13.533   7.138
  221   2HA   GLY  28          HA2       GLY  28   9.410  11.816   7.563
  222    H    SER  29           H        SER  29  12.106  11.426   6.604
  223    HA   SER  29           HA       SER  29  14.217  11.377   7.446
  224   1HB   SER  29          HB1       SER  29  13.760  14.375   7.701
  225   2HB   SER  29          HB2       SER  29  15.322  13.548   7.589
  226    HG   SER  29           HG       SER  29  14.466  14.370   5.549
  227    H    GLY  30           H        GLY  30  12.578  10.472   9.327
  228   1HA   GLY  30          HA1       GLY  30  12.954  11.825  11.907
  229   2HA   GLY  30          HA2       GLY  30  12.159  10.275  11.588
  230    H    THR  31           H        THR  31  13.281   9.319  13.352
  231    HA   THR  31           HA       THR  31  16.046   9.305  13.743
  232    HB   THR  31           HB       THR  31  14.356   8.564  15.384
  233    HG1  THR  31           HG1      THR  31  16.364   7.892  15.860
  234   1HG2  THR  31          HG2       THR  31  13.381   6.354  15.340
  235   2HG2  THR  31          HG2       THR  31  14.179   5.956  13.814
  236   3HG2  THR  31          HG2       THR  31  12.902   7.190  13.852
  237    HA   PRO  32           HA       PRO  32  17.393   6.898  10.236
  238   1HB   PRO  32          HB1       PRO  32  19.862   6.003  11.038
  239   2HB   PRO  32          HB2       PRO  32  19.519   7.712  10.656
  240   1HG   PRO  32          HG1       PRO  32  19.517   6.412  13.393
  241   2HG   PRO  32          HG2       PRO  32  20.374   7.901  12.894
  242   1HD   PRO  32          HD1       PRO  32  17.981   8.019  14.133
  243   2HD   PRO  32          HD2       PRO  32  18.327   9.127  12.773
  244   1HN   NH2  33          H1        NH2  35  15.848   3.838  11.231
  245   2HN   NH2  33          H2        NH2  35  15.527   5.421  10.623
  Start of MODEL    5
    1   1HN   CSU   1          H1        CYS   1 -14.991  -7.181 -11.439
    2   2HN   CSU   1          H2        CYS   1 -14.311  -5.770 -10.665
    3    HA   CSU   1           HA       CYS   1 -14.350  -8.548  -9.550
    4   1HB   CSU   1          HB1       CYS   1 -13.328  -7.653  -7.579
    5   2HB   CSU   1          HB2       CYS   1 -12.397  -6.965  -8.926
    6    HD2  CSU   1           H3       SO3  33 -13.268  -3.642  -5.595
    7    HXT  CSU   1           H3       CYS   1 -13.281  -7.087 -11.140
    8    H    SER   2           H        SER   2 -15.716  -8.481  -7.413
    9    HA   SER   2           HA       SER   2 -17.826  -6.461  -7.297
   10   1HB   SER   2          HB1       SER   2 -19.664  -8.050  -7.723
   11   2HB   SER   2          HB2       SER   2 -18.643  -7.880  -9.159
   12    HG   SER   2           HG       SER   2 -18.563  -9.951  -7.219
   13    H    ASN   3           H        ASN   3 -15.994  -6.911  -5.363
   14    HA   ASN   3           HA       ASN   3 -17.762  -7.557  -3.217
   15   1HB   ASN   3          HB1       ASN   3 -17.141  -9.889  -3.605
   16   2HB   ASN   3          HB2       ASN   3 -15.421  -9.451  -3.651
   17   1HD2  ASN   3          HD2       ASN   3 -15.350 -10.229  -0.181
   18   2HD2  ASN   3          HD2       ASN   3 -14.744 -10.663  -1.806
   19    H    LEU   4           H        LEU   4 -17.237  -6.347  -1.520
   20    HA   LEU   4           HA       LEU   4 -15.090  -4.467  -1.615
   21   1HB   LEU   4          HB1       LEU   4 -17.194  -5.264   0.389
   22   2HB   LEU   4          HB2       LEU   4 -15.807  -4.358   0.977
   23    HG   LEU   4           HG       LEU   4 -17.758  -2.954   0.418
   24   1HD1  LEU   4          HD1       LEU   4 -16.506  -1.164  -0.628
   25   2HD1  LEU   4          HD1       LEU   4 -15.284  -2.290  -1.238
   26   3HD1  LEU   4          HD1       LEU   4 -15.464  -2.032   0.511
   27   1HD2  LEU   4          HD2       LEU   4 -18.539  -4.160  -1.611
   28   2HD2  LEU   4          HD2       LEU   4 -17.120  -3.559  -2.504
   29   3HD2  LEU   4          HD2       LEU   4 -18.324  -2.419  -1.880
   30    H    SER   5           H        SER   5 -15.416  -7.623   0.194
   31    HA   SER   5           HA       SER   5 -13.076  -7.206   1.730
   32   1HB   SER   5          HB1       SER   5 -13.425 -10.019   1.027
   33   2HB   SER   5          HB2       SER   5 -13.593  -9.210   2.583
   34    HG   SER   5           HG       SER   5 -15.723  -8.733   2.079
   35    H    THR   6           H        THR   6 -13.529  -9.021  -1.332
   36    HA   THR   6           HA       THR   6 -10.862  -9.651  -1.835
   37    HB   THR   6           HB       THR   6 -12.997  -9.019  -3.913
   38    HG1  THR   6           HG1      THR   6 -12.613 -11.432  -2.474
   39   1HG2  THR   6          HG2       THR   6 -11.947 -10.901  -5.131
   40   2HG2  THR   6          HG2       THR   6 -10.734 -11.071  -3.845
   41   3HG2  THR   6          HG2       THR   6 -10.777  -9.602  -4.841
   42   1HN   CSU   7          HE        CYS   7 -12.763  -6.753  -2.898
   43    HA   CSU   7           HA       CYS   7 -10.696  -5.510  -4.360
   44   1HB   CSU   7          HB1       CYS   7 -12.999  -4.748  -4.502
   45   2HB   CSU   7          HB2       CYS   7 -12.984  -4.261  -2.787
   46    HD2  CSU   7           H3       SO3  34 -12.381  -0.422  -5.561
   47    H    VAL   8           H        VAL   8 -11.585  -4.954  -0.880
   48    HA   VAL   8           HA       VAL   8  -9.490  -3.055  -0.583
   49    HB   VAL   8           HB       VAL   8 -11.592  -3.172   0.780
   50   1HG1  VAL   8          HG1       VAL   8 -11.616  -4.428   2.851
   51   2HG1  VAL   8          HG1       VAL   8 -10.036  -5.151   2.509
   52   3HG1  VAL   8          HG1       VAL   8 -11.443  -5.561   1.508
   53   1HG2  VAL   8          HG2       VAL   8 -10.515  -2.205   2.763
   54   2HG2  VAL   8          HG2       VAL   8  -9.739  -1.635   1.276
   55   3HG2  VAL   8          HG2       VAL   8  -8.952  -2.881   2.267
   56    H    LEU   9           H        LEU   9  -9.634  -6.570   0.211
   57    HA   LEU   9           HA       LEU   9  -7.005  -6.696   1.355
   58   1HB   LEU   9          HB1       LEU   9  -8.658  -8.747  -0.166
   59   2HB   LEU   9          HB2       LEU   9  -7.135  -9.127   0.639
   60    HG   LEU   9           HG       LEU   9  -9.529  -7.959   2.130
   61   1HD1  LEU   9          HD1       LEU   9 -10.133 -10.133   1.116
   62   2HD1  LEU   9          HD1       LEU   9  -9.981 -10.262   2.876
   63   3HD1  LEU   9          HD1       LEU   9  -8.682 -10.871   1.827
   64   1HD2  LEU   9          HD2       LEU   9  -6.998  -9.374   3.075
   65   2HD2  LEU   9          HD2       LEU   9  -8.363  -8.910   4.107
   66   3HD2  LEU   9          HD2       LEU   9  -7.396  -7.661   3.322
   67    H    GLY  10           H        GLY  10  -8.182  -7.095  -2.009
   68   1HA   GLY  10          HA1       GLY  10  -5.774  -7.616  -3.325
   69   2HA   GLY  10          HA2       GLY  10  -7.161  -6.744  -4.007
   70    H    LYS  11           H        LYS  11  -7.300  -4.416  -2.607
   71    HA   LYS  11           HA       LYS  11  -5.146  -2.801  -3.561
   72   1HB   LYS  11          HB1       LYS  11  -7.258  -2.316  -1.409
   73   2HB   LYS  11          HB2       LYS  11  -5.944  -1.189  -1.744
   74   1HG   LYS  11          HG1       LYS  11  -6.709  -1.270  -4.214
   75   2HG   LYS  11          HG2       LYS  11  -8.214  -1.982  -3.584
   76   1HD   LYS  11          HD1       LYS  11  -8.456  -0.026  -2.047
   77   2HD   LYS  11          HD2       LYS  11  -6.901   0.617  -2.620
   78   1HE   LYS  11          HE1       LYS  11  -7.870   0.757  -4.949
   79   2HE   LYS  11          HE2       LYS  11  -9.450   0.313  -4.274
   80   1HZ   LYS  11          HZ1       LYS  11  -9.311   2.291  -2.892
   81   2HZ   LYS  11          HZ2       LYS  11  -9.171   2.695  -4.482
   82   3HZ   LYS  11          HZ3       LYS  11  -7.838   2.670  -3.518
   83    H    LEU  12           H        LEU  12  -5.857  -3.602  -0.118
   84    HA   LEU  12           HA       LEU  12  -3.600  -2.501   0.978
   85   1HB   LEU  12          HB1       LEU  12  -5.116  -5.000   1.800
   86   2HB   LEU  12          HB2       LEU  12  -3.865  -4.272   2.812
   87    HG   LEU  12           HG       LEU  12  -6.318  -2.716   1.883
   88   1HD1  LEU  12          HD1       LEU  12  -7.027  -4.661   3.222
   89   2HD1  LEU  12          HD1       LEU  12  -7.227  -3.159   4.141
   90   3HD1  LEU  12          HD1       LEU  12  -5.855  -4.232   4.488
   91   1HD2  LEU  12          HD2       LEU  12  -5.738  -1.268   3.819
   92   2HD2  LEU  12          HD2       LEU  12  -4.459  -1.270   2.604
   93   3HD2  LEU  12          HD2       LEU  12  -4.269  -2.225   4.091
   94    H    SER  13           H        SER  13  -3.821  -5.868  -0.236
   95    HA   SER  13           HA       SER  13  -1.205  -6.689   0.390
   96   1HB   SER  13          HB1       SER  13  -3.035  -8.140  -0.436
   97   2HB   SER  13          HB2       SER  13  -2.886  -7.435  -2.052
   98    HG   SER  13           HG       SER  13  -0.755  -8.283  -2.123
   99    H    GLN  14           H        GLN  14  -2.351  -5.171  -2.696
  100    HA   GLN  14           HA       GLN  14   0.280  -5.145  -3.895
  101   1HB   GLN  14          HB1       GLN  14  -2.285  -3.611  -4.469
  102   2HB   GLN  14          HB2       GLN  14  -0.833  -3.506  -5.475
  103   1HG   GLN  14          HG1       GLN  14  -0.923  -5.853  -6.031
  104   2HG   GLN  14          HG2       GLN  14  -2.232  -6.152  -4.880
  105   1HE2  GLN  14          HE2       GLN  14  -4.798  -4.674  -6.888
  106   2HE2  GLN  14          HE2       GLN  14  -4.287  -4.995  -5.225
  107    H    GLU  15           H        GLU  15  -1.668  -2.775  -2.165
  108    HA   GLU  15           HA       GLU  15  -0.097  -0.489  -2.591
  109   1HB   GLU  15          HB1       GLU  15  -2.549  -0.816  -1.908
  110   2HB   GLU  15          HB2       GLU  15  -1.984  -0.969  -0.241
  111   1HG   GLU  15          HG1       GLU  15  -1.169   1.342  -0.330
  112   2HG   GLU  15          HG2       GLU  15  -1.474   1.421  -2.078
  113    H    LEU  16           H        LEU  16  -0.290  -2.671   0.306
  114    HA   LEU  16           HA       LEU  16   1.884  -1.370   1.623
  115   1HB   LEU  16          HB1       LEU  16   1.790  -2.960   3.283
  116   2HB   LEU  16          HB2       LEU  16   0.141  -2.748   2.719
  117    HG   LEU  16           HG       LEU  16   0.685  -4.918   1.263
  118   1HD1  LEU  16          HD1       LEU  16   2.608  -5.217   3.625
  119   2HD1  LEU  16          HD1       LEU  16   3.117  -5.107   1.935
  120   3HD1  LEU  16          HD1       LEU  16   2.163  -6.488   2.472
  121   1HD2  LEU  16          HD2       LEU  16   0.217  -5.009   4.272
  122   2HD2  LEU  16          HD2       LEU  16  -0.176  -6.297   3.113
  123   3HD2  LEU  16          HD2       LEU  16  -1.035  -4.751   3.043
  124    H    HIS  17           H        HIS  17   1.725  -4.176  -0.643
  125    HA   HIS  17           HA       HIS  17   4.445  -4.853  -0.388
  126   1HB   HIS  17          HB1       HIS  17   2.857  -6.310  -1.503
  127   2HB   HIS  17          HB2       HIS  17   2.698  -5.156  -2.839
  128    HD1  HIS  17           HD1      HIS  17   5.803  -6.739  -1.060
  129    HD2  HIS  17           HD2      HIS  17   4.243  -5.749  -4.860
  130    HE1  HIS  17           HE1      HIS  17   7.620  -7.327  -2.775
  131    H    LYS  18           H        LYS  18   2.862  -2.421  -2.477
  132    HA   LYS  18           HA       LYS  18   5.249  -1.520  -3.814
  133   1HB   LYS  18          HB1       LYS  18   2.579  -0.209  -3.203
  134   2HB   LYS  18          HB2       LYS  18   3.872   0.616  -4.079
  135   1HG   LYS  18          HG1       LYS  18   3.856  -0.967  -5.853
  136   2HG   LYS  18          HG2       LYS  18   2.811  -2.092  -4.968
  137   1HD   LYS  18          HD1       LYS  18   0.966  -0.484  -4.963
  138   2HD   LYS  18          HD2       LYS  18   1.938   0.715  -5.819
  139   1HE   LYS  18          HE1       LYS  18   1.152  -2.050  -6.895
  140   2HE   LYS  18          HE2       LYS  18   0.303  -0.545  -7.267
  141   1HZ   LYS  18          HZ1       LYS  18   2.314   0.288  -8.279
  142   2HZ   LYS  18          HZ2       LYS  18   1.831  -1.110  -8.995
  143   3HZ   LYS  18          HZ3       LYS  18   3.108  -1.119  -7.961
  144    H    LEU  19           H        LEU  19   3.522  -0.317  -0.866
  145    HA   LEU  19           HA       LEU  19   5.215   1.745  -0.223
  146   1HB   LEU  19          HB1       LEU  19   3.127   1.271   0.951
  147   2HB   LEU  19          HB2       LEU  19   3.847  -0.160   1.697
  148    HG   LEU  19           HG       LEU  19   5.450   1.227   2.939
  149   1HD1  LEU  19          HD1       LEU  19   4.013   3.576   1.622
  150   2HD1  LEU  19          HD1       LEU  19   5.734   3.160   1.461
  151   3HD1  LEU  19          HD1       LEU  19   5.104   3.707   3.014
  152   1HD2  LEU  19          HD2       LEU  19   2.559   2.136   3.235
  153   2HD2  LEU  19          HD2       LEU  19   3.824   2.234   4.479
  154   3HD2  LEU  19          HD2       LEU  19   3.260   0.652   3.915
  155    H    GLN  20           H        GLN  20   5.609  -1.659   0.941
  156    HA   GLN  20           HA       GLN  20   8.072  -1.113   2.273
  157   1HB   GLN  20          HB1       GLN  20   8.346  -3.482   2.518
  158   2HB   GLN  20          HB2       GLN  20   6.645  -3.036   2.786
  159   1HG   GLN  20          HG1       GLN  20   6.138  -3.706   0.465
  160   2HG   GLN  20          HG2       GLN  20   7.807  -4.220   0.219
  161   1HE2  GLN  20          HE2       GLN  20   6.472  -6.714   3.057
  162   2HE2  GLN  20          HE2       GLN  20   6.995  -5.076   3.394
  163    H    THR  21           H        THR  21   7.558  -1.166  -1.119
  164    HA   THR  21           HA       THR  21  10.499  -1.399  -1.563
  165    HB   THR  21           HB       THR  21   9.893  -2.180  -3.882
  166    HG1  THR  21           HG1      THR  21   7.358  -2.696  -2.673
  167   1HG2  THR  21          HG2       THR  21   9.090  -4.058  -1.630
  168   2HG2  THR  21          HG2       THR  21  10.749  -3.733  -2.166
  169   3HG2  THR  21          HG2       THR  21   9.596  -4.512  -3.267
  170    H    TYR  22           H        TYR  22   8.528   0.927  -0.918
  171    HA   TYR  22           HA       TYR  22   8.201   2.310  -3.329
  172   1HB   TYR  22          HB1       TYR  22   7.415   4.086  -2.109
  173   2HB   TYR  22          HB2       TYR  22   7.060   2.726  -1.084
  174    HD1  TYR  22           HD1      TYR  22   9.737   2.362   0.353
  175    HD2  TYR  22           HD2      TYR  22   7.476   5.902  -0.653
  176    HE1  TYR  22           HE1      TYR  22  11.025   3.654   1.997
  177    HE2  TYR  22           HE2      TYR  22   8.698   7.157   1.098
  178    HH   TYR  22           HH       TYR  22  11.338   5.730   2.987
  179    HA   PRO  23           HA       PRO  23  12.266   4.244  -3.952
  180   1HB   PRO  23          HB1       PRO  23  11.577   6.663  -5.050
  181   2HB   PRO  23          HB2       PRO  23  11.508   5.128  -5.963
  182   1HG   PRO  23          HG1       PRO  23   9.231   6.530  -4.543
  183   2HG   PRO  23          HG2       PRO  23   9.250   5.897  -6.215
  184   1HD   PRO  23          HD1       PRO  23   8.180   4.481  -4.177
  185   2HD   PRO  23          HD2       PRO  23   9.119   3.645  -5.444
  186    H    ARG  24           H        ARG  24  13.483   5.681  -2.660
  187    HA   ARG  24           HA       ARG  24  12.399   6.129  -0.080
  188   1HB   ARG  24          HB1       ARG  24  14.729   5.482  -0.610
  189   2HB   ARG  24          HB2       ARG  24  15.039   7.115  -1.221
  190   1HG   ARG  24          HG1       ARG  24  14.524   8.061   1.013
  191   2HG   ARG  24          HG2       ARG  24  14.134   6.451   1.632
  192   1HD   ARG  24          HD1       ARG  24  16.836   7.317   0.516
  193   2HD   ARG  24          HD2       ARG  24  16.412   7.271   2.244
  194    HE   ARG  24           HE       ARG  24  15.844   4.723   1.180
  195   1HH1  ARG  24          HH1       ARG  24  18.956   3.218   1.871
  196   2HH1  ARG  24          HH1       ARG  24  17.286   2.938   1.508
  197   1HH2  ARG  24          HH2       ARG  24  18.652   6.758   1.775
  198   2HH2  ARG  24          HH2       ARG  24  19.767   5.452   2.028
  199    H    THR  25           H        THR  25  10.594   7.462  -0.760
  200    HA   THR  25           HA       THR  25  10.922  10.117  -1.728
  201    HB   THR  25           HB       THR  25   8.508   8.934  -0.295
  202    HG1  THR  25           HG1      THR  25   9.347   7.604  -2.076
  203   1HG2  THR  25          HG2       THR  25   8.748  11.058  -2.465
  204   2HG2  THR  25          HG2       THR  25   8.326  11.361  -0.766
  205   3HG2  THR  25          HG2       THR  25   7.238  10.408  -1.791
  206    H    ASN  26           H        ASN  26  10.860   8.741   1.514
  207    HA   ASN  26           HA       ASN  26  11.337   9.575   3.534
  208   1HB   ASN  26          HB1       ASN  26  13.402  10.178   2.254
  209   2HB   ASN  26          HB2       ASN  26  12.743  11.796   1.987
  210   1HD2  ASN  26          HD2       ASN  26  13.802  10.806   5.864
  211   2HD2  ASN  26          HD2       ASN  26  13.086   9.560   4.858
  212    H    THR  27           H        THR  27   8.760  10.466   2.339
  213    HA   THR  27           HA       THR  27   8.116  13.066   3.304
  214    HB   THR  27           HB       THR  27   5.809  11.546   3.381
  215    HG1  THR  27           HG1      THR  27   6.001  10.009   1.750
  216   1HG2  THR  27          HG2       THR  27   6.146  13.578   2.032
  217   2HG2  THR  27          HG2       THR  27   5.482  12.283   1.020
  218   3HG2  THR  27          HG2       THR  27   7.209  12.690   0.921
  219    H    GLY  28           H        GLY  28   8.265  13.667   5.395
  220   1HA   GLY  28          HA1       GLY  28   7.083  12.509   7.631
  221   2HA   GLY  28          HA2       GLY  28   8.696  11.766   7.513
  222    H    SER  29           H        SER  29  10.318  13.606   6.595
  223    HA   SER  29           HA       SER  29  11.472  15.536   6.934
  224   1HB   SER  29          HB1       SER  29   8.691  16.736   7.222
  225   2HB   SER  29          HB2       SER  29  10.134  17.503   6.549
  226    HG   SER  29           HG       SER  29  10.077  15.920   4.866
  227    H    GLY  30           H        GLY  30  11.000  14.045   9.409
  228   1HA   GLY  30          HA1       GLY  30  12.265  15.557  11.311
  229   2HA   GLY  30          HA2       GLY  30  10.546  15.944  11.565
  230    H    THR  31           H        THR  31   9.007  14.067  11.743
  231    HA   THR  31           HA       THR  31  10.044  11.717  13.109
  232    HB   THR  31           HB       THR  31   7.493  11.120  12.522
  233    HG1  THR  31           HG1      THR  31   6.304  13.018  12.188
  234   1HG2  THR  31          HG2       THR  31   8.332  11.638  14.805
  235   2HG2  THR  31          HG2       THR  31   6.765  12.412  14.512
  236   3HG2  THR  31          HG2       THR  31   8.255  13.375  14.441
  237    HA   PRO  32           HA       PRO  32  10.609   9.422   9.266
  238   1HB   PRO  32          HB1       PRO  32   9.790   6.891   9.922
  239   2HB   PRO  32          HB2       PRO  32  11.295   7.612  10.564
  240   1HG   PRO  32          HG1       PRO  32   8.582   7.506  11.912
  241   2HG   PRO  32          HG2       PRO  32  10.162   7.028  12.600
  242   1HD   PRO  32          HD1       PRO  32   9.084   9.468  13.083
  243   2HD   PRO  32          HD2       PRO  32  10.841   9.300  12.814
  244   1HN   NH2  33          H1        NH2  35   7.600   8.910   7.450
  245   2HN   NH2  33          H2        NH2  35   9.320   8.780   7.426
  Start of MODEL    6
    1    HA   CSU   1           HA       CYS   1 -18.286  -9.291  -8.802
    2   1HB   CSU   1          HB1       CYS   1 -20.536  -9.348  -9.722
    3   2HB   CSU   1          HB2       CYS   1 -21.173  -8.407  -8.354
    4    HD2  CSU   1           H3       SO3  33 -20.617  -5.565 -12.152
    5    HXT  CSU   1           H3       CYS   1 -19.761 -11.004  -7.925
    6    H2   CSU   1           H2       CYS   1 -20.276  -9.943  -6.648
    7    H1   CSU   1           H1       CYS   1 -18.621 -10.496  -6.715
    8    H    SER   2           H        SER   2 -20.322  -7.986  -6.173
    9    HA   SER   2           HA       SER   2 -18.626  -5.624  -5.814
   10   1HB   SER   2          HB1       SER   2 -21.168  -5.762  -5.492
   11   2HB   SER   2          HB2       SER   2 -20.822  -6.551  -3.939
   12    HG   SER   2           HG       SER   2 -19.981  -3.971  -4.819
   13    H    ASN   3           H        ASN   3 -16.816  -7.347  -5.670
   14    HA   ASN   3           HA       ASN   3 -16.720  -8.979  -3.261
   15   1HB   ASN   3          HB1       ASN   3 -14.679  -8.601  -5.488
   16   2HB   ASN   3          HB2       ASN   3 -14.658  -9.879  -4.261
   17   1HD2  ASN   3          HD2       ASN   3 -16.215 -11.146  -7.464
   18   2HD2  ASN   3          HD2       ASN   3 -14.702 -10.327  -7.126
   19    H    LEU   4           H        LEU   4 -16.867  -6.632  -2.189
   20    HA   LEU   4           HA       LEU   4 -14.714  -4.920  -2.130
   21   1HB   LEU   4          HB1       LEU   4 -16.957  -5.485  -0.208
   22   2HB   LEU   4          HB2       LEU   4 -15.648  -4.480   0.387
   23    HG   LEU   4           HG       LEU   4 -17.508  -3.165  -0.499
   24   1HD1  LEU   4          HD1       LEU   4 -14.970  -2.727  -2.121
   25   2HD1  LEU   4          HD1       LEU   4 -15.202  -2.237  -0.431
   26   3HD1  LEU   4          HD1       LEU   4 -16.211  -1.538  -1.704
   27   1HD2  LEU   4          HD2       LEU   4 -17.939  -2.966  -2.898
   28   2HD2  LEU   4          HD2       LEU   4 -18.221  -4.622  -2.346
   29   3HD2  LEU   4          HD2       LEU   4 -16.747  -4.223  -3.259
   30    H    SER   5           H        SER   5 -15.154  -7.692   0.077
   31    HA   SER   5           HA       SER   5 -12.922  -7.170   1.712
   32   1HB   SER   5          HB1       SER   5 -14.668  -8.855   2.223
   33   2HB   SER   5          HB2       SER   5 -14.025  -9.909   0.952
   34    HG   SER   5           HG       SER   5 -12.641  -8.993   3.263
   35    H    THR   6           H        THR   6 -13.060  -9.485  -1.100
   36    HA   THR   6           HA       THR   6 -10.392 -10.028  -1.348
   37    HB   THR   6           HB       THR   6 -12.315  -9.593  -3.674
   38    HG1  THR   6           HG1      THR   6 -12.964 -11.786  -3.074
   39   1HG2  THR   6          HG2       THR   6 -11.202 -11.587  -4.570
   40   2HG2  THR   6          HG2       THR   6 -10.140 -11.676  -3.153
   41   3HG2  THR   6          HG2       THR   6 -10.010 -10.317  -4.275
   42   1HN   CSU   7          H         CYS   7 -12.216  -7.315  -2.833
   43    HA   CSU   7           HA       CYS   7 -10.103  -6.222  -4.347
   44   1HB   CSU   7          HB1       CYS   7 -12.407  -5.552  -4.727
   45   2HB   CSU   7          HB2       CYS   7 -12.521  -4.870  -3.089
   46    HD2  CSU   7           H3       SO3  34 -11.872  -1.359  -6.254
   47    H    VAL   8           H        VAL   8 -11.227  -5.238  -1.026
   48    HA   VAL   8           HA       VAL   8  -9.196  -3.285  -0.864
   49    HB   VAL   8           HB       VAL   8 -11.334  -3.262   0.413
   50   1HG1  VAL   8          HG1       VAL   8  -9.864  -5.043   2.409
   51   2HG1  VAL   8          HG1       VAL   8 -11.265  -5.522   1.430
   52   3HG1  VAL   8          HG1       VAL   8 -11.429  -4.247   2.634
   53   1HG2  VAL   8          HG2       VAL   8 -10.356  -2.053   2.314
   54   2HG2  VAL   8          HG2       VAL   8  -9.512  -1.662   0.809
   55   3HG2  VAL   8          HG2       VAL   8  -8.772  -2.775   1.976
   56    H    LEU   9           H        LEU   9  -9.301  -6.687   0.329
   57    HA   LEU   9           HA       LEU   9  -6.751  -6.670   1.611
   58   1HB   LEU   9          HB1       LEU   9  -8.261  -8.845   0.115
   59   2HB   LEU   9          HB2       LEU   9  -6.780  -9.148   1.026
   60    HG   LEU   9           HG       LEU   9  -9.256  -7.919   2.320
   61   1HD1  LEU   9          HD1       LEU   9  -9.854 -10.121   1.371
   62   2HD1  LEU   9          HD1       LEU   9  -9.783 -10.180   3.138
   63   3HD1  LEU   9          HD1       LEU   9  -8.451 -10.855   2.175
   64   1HD2  LEU   9          HD2       LEU   9  -7.166  -7.613   3.602
   65   2HD2  LEU   9          HD2       LEU   9  -6.818  -9.351   3.467
   66   3HD2  LEU   9          HD2       LEU   9  -8.221  -8.787   4.395
   67    H    GLY  10           H        GLY  10  -7.637  -7.408  -1.784
   68   1HA   GLY  10          HA1       GLY  10  -5.081  -7.946  -2.805
   69   2HA   GLY  10          HA2       GLY  10  -6.461  -7.322  -3.725
   70    H    LYS  11           H        LYS  11  -6.843  -4.776  -2.621
   71    HA   LYS  11           HA       LYS  11  -4.691  -3.362  -3.864
   72   1HB   LYS  11          HB1       LYS  11  -5.773  -1.456  -3.632
   73   2HB   LYS  11          HB2       LYS  11  -7.137  -2.565  -3.549
   74   1HG   LYS  11          HG1       LYS  11  -7.209  -2.283  -1.104
   75   2HG   LYS  11          HG2       LYS  11  -5.799  -1.225  -1.126
   76   1HD   LYS  11          HD1       LYS  11  -8.311  -0.600  -2.714
   77   2HD   LYS  11          HD2       LYS  11  -8.163  -0.146  -1.019
   78   1HE   LYS  11          HE1       LYS  11  -6.136   0.705  -3.147
   79   2HE   LYS  11          HE2       LYS  11  -7.540   1.675  -2.699
   80   1HZ   LYS  11          HZ1       LYS  11  -5.464   0.837  -0.754
   81   2HZ   LYS  11          HZ2       LYS  11  -6.650   1.959  -0.518
   82   3HZ   LYS  11          HZ3       LYS  11  -5.361   2.184  -1.538
   83    H    LEU  12           H        LEU  12  -5.564  -3.769  -0.374
   84    HA   LEU  12           HA       LEU  12  -3.486  -2.226   0.683
   85   1HB   LEU  12          HB1       LEU  12  -4.876  -4.707   1.745
   86   2HB   LEU  12          HB2       LEU  12  -3.695  -3.812   2.700
   87    HG   LEU  12           HG       LEU  12  -6.190  -2.492   1.553
   88   1HD1  LEU  12          HD1       LEU  12  -7.131  -2.742   3.841
   89   2HD1  LEU  12          HD1       LEU  12  -5.714  -3.698   4.315
   90   3HD1  LEU  12          HD1       LEU  12  -6.835  -4.316   3.082
   91   1HD2  LEU  12          HD2       LEU  12  -4.427  -0.886   2.156
   92   2HD2  LEU  12          HD2       LEU  12  -4.233  -1.665   3.742
   93   3HD2  LEU  12          HD2       LEU  12  -5.737  -0.817   3.336
   94    H    SER  13           H        SER  13  -3.437  -5.729  -0.081
   95    HA   SER  13           HA       SER  13  -0.841  -6.309   0.767
   96   1HB   SER  13          HB1       SER  13  -2.533  -7.944  -0.012
   97   2HB   SER  13          HB2       SER  13  -2.282  -7.429  -1.686
   98    HG   SER  13           HG       SER  13  -0.119  -8.163  -1.489
   99    H    GLN  14           H        GLN  14  -1.813  -5.210  -2.538
  100    HA   GLN  14           HA       GLN  14   0.903  -5.143  -3.523
  101   1HB   GLN  14          HB1       GLN  14  -1.668  -3.835  -4.496
  102   2HB   GLN  14          HB2       GLN  14  -0.147  -3.848  -5.402
  103   1HG   GLN  14          HG1       GLN  14  -0.157  -6.281  -5.546
  104   2HG   GLN  14          HG2       GLN  14  -1.573  -6.398  -4.493
  105   1HE2  GLN  14          HE2       GLN  14  -3.910  -5.277  -6.965
  106   2HE2  GLN  14          HE2       GLN  14  -3.591  -5.344  -5.221
  107    H    GLU  15           H        GLU  15  -1.338  -2.699  -2.346
  108    HA   GLU  15           HA       GLU  15   0.080  -0.351  -2.809
  109   1HB   GLU  15          HB1       GLU  15  -2.305  -0.622  -2.281
  110   2HB   GLU  15          HB2       GLU  15  -1.909  -1.044  -0.609
  111   1HG   GLU  15          HG1       GLU  15  -1.148   1.236  -0.197
  112   2HG   GLU  15          HG2       GLU  15  -1.305   1.636  -1.923
  113    H    LEU  16           H        LEU  16  -0.072  -2.257   0.297
  114    HA   LEU  16           HA       LEU  16   1.891  -0.627   1.551
  115   1HB   LEU  16          HB1       LEU  16   1.903  -2.097   3.355
  116   2HB   LEU  16          HB2       LEU  16   0.264  -2.025   2.726
  117    HG   LEU  16           HG       LEU  16   0.991  -4.260   1.459
  118   1HD1  LEU  16          HD1       LEU  16   2.771  -4.296   3.947
  119   2HD1  LEU  16          HD1       LEU  16   3.391  -4.237   2.293
  120   3HD1  LEU  16          HD1       LEU  16   2.486  -5.650   2.840
  121   1HD2  LEU  16          HD2       LEU  16   0.344  -4.148   4.432
  122   2HD2  LEU  16          HD2       LEU  16   0.099  -5.544   3.362
  123   3HD2  LEU  16          HD2       LEU  16  -0.836  -4.063   3.111
  124    H    HIS  17           H        HIS  17   2.157  -3.664  -0.334
  125    HA   HIS  17           HA       HIS  17   4.921  -4.067   0.034
  126   1HB   HIS  17          HB1       HIS  17   3.357  -5.684  -0.985
  127   2HB   HIS  17          HB2       HIS  17   3.301  -4.705  -2.455
  128    HD1  HIS  17           HD1      HIS  17   6.617  -4.209  -2.441
  129    HD2  HIS  17           HD2      HIS  17   4.395  -7.801  -2.205
  130    HE1  HIS  17           HE1      HIS  17   8.148  -6.086  -3.315
  131    H    LYS  18           H        LYS  18   3.189  -1.934  -2.274
  132    HA   LYS  18           HA       LYS  18   5.574  -0.998  -3.599
  133   1HB   LYS  18          HB1       LYS  18   2.682  -0.367  -3.626
  134   2HB   LYS  18          HB2       LYS  18   3.686   1.077  -3.672
  135   1HG   LYS  18          HG1       LYS  18   5.000   0.044  -5.547
  136   2HG   LYS  18          HG2       LYS  18   3.809  -1.271  -5.607
  137   1HD   LYS  18          HD1       LYS  18   2.010   0.313  -6.109
  138   2HD   LYS  18          HD2       LYS  18   3.073   1.679  -5.758
  139   1HE   LYS  18          HE1       LYS  18   4.565   0.726  -7.725
  140   2HE   LYS  18          HE2       LYS  18   3.101  -0.153  -8.185
  141   1HZ   LYS  18          HZ1       LYS  18   3.321   1.988  -9.281
  142   2HZ   LYS  18          HZ2       LYS  18   3.359   2.773  -7.831
  143   3HZ   LYS  18          HZ3       LYS  18   1.985   1.996  -8.318
  144    H    LEU  19           H        LEU  19   3.540   0.355  -1.010
  145    HA   LEU  19           HA       LEU  19   4.746   2.769  -0.628
  146   1HB   LEU  19          HB1       LEU  19   2.615   2.034   0.381
  147   2HB   LEU  19          HB2       LEU  19   3.504   0.955   1.466
  148    HG   LEU  19           HG       LEU  19   4.559   2.885   2.580
  149   1HD1  LEU  19          HD1       LEU  19   2.828   4.548   0.692
  150   2HD1  LEU  19          HD1       LEU  19   4.605   4.551   0.769
  151   3HD1  LEU  19          HD1       LEU  19   3.664   5.176   2.126
  152   1HD2  LEU  19          HD2       LEU  19   2.432   1.947   3.408
  153   2HD2  LEU  19          HD2       LEU  19   1.525   3.075   2.379
  154   3HD2  LEU  19          HD2       LEU  19   2.532   3.690   3.707
  155    H    GLN  20           H        GLN  20   5.723  -0.333   0.895
  156    HA   GLN  20           HA       GLN  20   7.862   0.874   2.405
  157   1HB   GLN  20          HB1       GLN  20   8.711  -1.356   2.769
  158   2HB   GLN  20          HB2       GLN  20   6.970  -1.235   3.053
  159   1HG   GLN  20          HG1       GLN  20   6.586  -2.240   0.784
  160   2HG   GLN  20          HG2       GLN  20   8.336  -2.503   0.648
  161   1HE2  GLN  20          HE2       GLN  20   7.264  -5.730   1.802
  162   2HE2  GLN  20          HE2       GLN  20   7.484  -4.783   0.335
  163    H    THR  21           H        THR  21   7.949  -0.820  -0.822
  164    HA   THR  21           HA       THR  21  10.757  -0.380  -1.166
  165    HB   THR  21           HB       THR  21  10.108  -0.858  -3.631
  166    HG1  THR  21           HG1      THR  21   7.752  -0.309  -2.882
  167   1HG2  THR  21          HG2       THR  21   9.359  -2.879  -1.472
  168   2HG2  THR  21          HG2       THR  21  10.998  -2.584  -2.094
  169   3HG2  THR  21          HG2       THR  21   9.747  -3.239  -3.167
  170    H    TYR  22           H        TYR  22   8.018   1.718  -1.757
  171    HA   TYR  22           HA       TYR  22   9.046   3.383  -3.731
  172   1HB   TYR  22          HB1       TYR  22   7.060   3.641  -1.484
  173   2HB   TYR  22          HB2       TYR  22   7.639   5.140  -2.158
  174    HD1  TYR  22           HD1      TYR  22   7.202   2.144  -4.362
  175    HD2  TYR  22           HD2      TYR  22   5.441   5.800  -2.887
  176    HE1  TYR  22           HE1      TYR  22   5.757   2.258  -6.348
  177    HE2  TYR  22           HE2      TYR  22   3.890   5.823  -4.803
  178    HH   TYR  22           HH       TYR  22   3.395   4.894  -6.813
  179    HA   PRO  23           HA       PRO  23  12.238   5.908  -1.974
  180   1HB   PRO  23          HB1       PRO  23  11.835   8.348  -3.165
  181   2HB   PRO  23          HB2       PRO  23  12.352   6.904  -4.072
  182   1HG   PRO  23          HG1       PRO  23   9.524   7.945  -3.742
  183   2HG   PRO  23          HG2       PRO  23  10.370   7.560  -5.270
  184   1HD   PRO  23          HD1       PRO  23   8.727   5.775  -4.106
  185   2HD   PRO  23          HD2       PRO  23  10.260   5.224  -4.834
  186    H    ARG  24           H        ARG  24  12.338   8.406  -1.000
  187    HA   ARG  24           HA       ARG  24  10.017   9.200   0.479
  188   1HB   ARG  24          HB1       ARG  24  11.914   7.322   1.660
  189   2HB   ARG  24          HB2       ARG  24  12.040   8.830   2.520
  190   1HG   ARG  24          HG1       ARG  24   9.952   8.742   3.392
  191   2HG   ARG  24          HG2       ARG  24   9.236   7.883   2.037
  192   1HD   ARG  24          HD1       ARG  24  11.220   6.323   3.702
  193   2HD   ARG  24          HD2       ARG  24   9.692   6.767   4.440
  194    HE   ARG  24           HE       ARG  24   8.456   5.448   3.089
  195   1HH1  ARG  24          HH1       ARG  24   9.506   2.964   0.826
  196   2HH1  ARG  24          HH1       ARG  24   8.081   3.648   1.505
  197   1HH2  ARG  24          HH2       ARG  24  11.794   5.376   1.841
  198   2HH2  ARG  24          HH2       ARG  24  11.317   4.290   0.542
  199    H    THR  25           H        THR  25  10.343  11.320   1.372
  200    HA   THR  25           HA       THR  25  12.355  12.879  -0.060
  201    HB   THR  25           HB       THR  25  11.001  14.693   1.206
  202    HG1  THR  25           HG1      THR  25   9.065  13.889   2.130
  203   1HG2  THR  25          HG2       THR  25   9.032  14.448  -0.270
  204   2HG2  THR  25          HG2       THR  25   9.467  12.758  -0.603
  205   3HG2  THR  25          HG2       THR  25  10.525  14.076  -1.153
  206    H    ASN  26           H        ASN  26  11.173  12.680   3.192
  207    HA   ASN  26           HA       ASN  26  12.368  12.049   5.144
  208   1HB   ASN  26          HB1       ASN  26  14.747  13.654   4.109
  209   2HB   ASN  26          HB2       ASN  26  14.574  12.971   5.718
  210   1HD2  ASN  26          HD2       ASN  26  16.604  10.488   4.022
  211   2HD2  ASN  26          HD2       ASN  26  16.771  12.135   4.603
  212    H    THR  27           H        THR  27  10.374  13.253   5.442
  213    HA   THR  27           HA       THR  27  10.341  16.026   5.964
  214    HB   THR  27           HB       THR  27   8.610  13.884   7.269
  215    HG1  THR  27           HG1      THR  27   7.429  13.947   5.311
  216   1HG2  THR  27          HG2       THR  27   8.176  16.268   7.885
  217   2HG2  THR  27          HG2       THR  27   6.836  15.566   6.963
  218   3HG2  THR  27          HG2       THR  27   7.980  16.664   6.163
  219    H    GLY  28           H        GLY  28  12.544  15.975   7.066
  220   1HA   GLY  28          HA1       GLY  28  13.719  16.443   9.019
  221   2HA   GLY  28          HA2       GLY  28  12.312  16.025  10.010
  222    H    SER  29           H        SER  29  11.645  13.550   9.669
  223    HA   SER  29           HA       SER  29  13.989  11.975  10.509
  224   1HB   SER  29          HB1       SER  29  12.164  10.291  10.972
  225   2HB   SER  29          HB2       SER  29  11.980  11.838  11.821
  226    HG   SER  29           HG       SER  29  10.010  11.221  10.846
  227    H    GLY  30           H        GLY  30  11.250  11.209   8.428
  228   1HA   GLY  30          HA1       GLY  30  11.148  10.194   6.282
  229   2HA   GLY  30          HA2       GLY  30  12.930  10.191   6.190
  230    H    THR  31           H        THR  31  10.981   8.902   8.932
  231    HA   THR  31           HA       THR  31  12.363   6.430   8.925
  232    HB   THR  31           HB       THR  31  10.086   5.980  10.374
  233    HG1  THR  31           HG1      THR  31   9.309   7.923  11.126
  234   1HG2  THR  31          HG2       THR  31  12.374   6.027  11.302
  235   2HG2  THR  31          HG2       THR  31  11.278   6.987  12.318
  236   3HG2  THR  31          HG2       THR  31  12.396   7.804  11.198
  237    HA   PRO  32           HA       PRO  32   9.919   4.282   5.837
  238   1HB   PRO  32          HB1       PRO  32  10.122   1.678   6.638
  239   2HB   PRO  32          HB2       PRO  32  11.518   2.588   5.993
  240   1HG   PRO  32          HG1       PRO  32  10.796   2.147   8.904
  241   2HG   PRO  32          HG2       PRO  32  12.377   1.868   8.116
  242   1HD   PRO  32          HD1       PRO  32  11.828   4.163   9.469
  243   2HD   PRO  32          HD2       PRO  32  12.801   4.201   7.971
  244   1HN   NH2  33          H1        NH2  35   6.684   3.305   6.938
  245   2HN   NH2  33          H2        NH2  35   7.779   3.335   5.605
  Start of MODEL    7
    1   1HN   CSU   1          H1        CYS   1 -19.206  -9.804  -5.797
    2   2HN   CSU   1          H2        CYS   1 -19.644  -8.114  -5.834
    3    HA   CSU   1           HA       CYS   1 -19.472  -9.942  -8.211
    4   1HB   CSU   1          HB1       CYS   1 -21.164  -8.250  -8.612
    5   2HB   CSU   1          HB2       CYS   1 -20.117  -6.967  -7.976
    6    HD2  CSU   1           H3       SO3  33 -20.147  -6.863 -12.755
    7    HXT  CSU   1           H3       CYS   1 -20.806  -9.328  -6.282
    8    H    SER   2           H        SER   2 -18.151  -6.765  -7.176
    9    HA   SER   2           HA       SER   2 -15.423  -7.435  -7.856
   10   1HB   SER   2          HB1       SER   2 -16.303  -5.240  -5.944
   11   2HB   SER   2          HB2       SER   2 -14.929  -5.263  -7.063
   12    HG   SER   2           HG       SER   2 -16.590  -5.348  -8.766
   13    H    ASN   3           H        ASN   3 -17.439  -7.372  -4.964
   14    HA   ASN   3           HA       ASN   3 -17.437  -8.496  -3.047
   15   1HB   ASN   3          HB1       ASN   3 -14.990 -10.091  -3.800
   16   2HB   ASN   3          HB2       ASN   3 -16.342 -10.544  -2.768
   17   1HD2  ASN   3          HD2       ASN   3 -16.472 -10.966  -6.838
   18   2HD2  ASN   3          HD2       ASN   3 -15.044 -10.558  -5.916
   19    H    LEU   4           H        LEU   4 -17.031  -6.985  -1.536
   20    HA   LEU   4           HA       LEU   4 -14.878  -5.332  -1.298
   21   1HB   LEU   4          HB1       LEU   4 -16.926  -6.341   0.667
   22   2HB   LEU   4          HB2       LEU   4 -15.572  -5.416   1.299
   23    HG   LEU   4           HG       LEU   4 -17.584  -4.063   0.850
   24   1HD1  LEU   4          HD1       LEU   4 -16.424  -2.162  -0.097
   25   2HD1  LEU   4          HD1       LEU   4 -15.169  -3.195  -0.796
   26   3HD1  LEU   4          HD1       LEU   4 -15.328  -3.055   0.967
   27   1HD2  LEU   4          HD2       LEU   4 -18.203  -3.406  -1.403
   28   2HD2  LEU   4          HD2       LEU   4 -18.359  -5.163  -1.236
   29   3HD2  LEU   4          HD2       LEU   4 -16.975  -4.464  -2.111
   30    H    SER   5           H        SER   5 -15.131  -8.506   0.332
   31    HA   SER   5           HA       SER   5 -12.732  -8.368   1.808
   32   1HB   SER   5          HB1       SER   5 -14.427 -10.132   2.087
   33   2HB   SER   5          HB2       SER   5 -13.980 -10.831   0.513
   34    HG   SER   5           HG       SER   5 -12.913 -11.821   2.320
   35    H    THR   6           H        THR   6 -13.177  -9.913  -1.461
   36    HA   THR   6           HA       THR   6 -10.509 -10.411  -1.992
   37    HB   THR   6           HB       THR   6 -12.618  -9.600  -4.039
   38    HG1  THR   6           HG1      THR   6 -12.344 -12.073  -2.666
   39   1HG2  THR   6          HG2       THR   6 -10.423 -11.722  -4.080
   40   2HG2  THR   6          HG2       THR   6 -10.392 -10.169  -4.949
   41   3HG2  THR   6          HG2       THR   6 -11.595 -11.402  -5.379
   42   1HN   CSU   7          H         CYS   7 -12.470  -7.509  -2.776
   43    HA   CSU   7           HA       CYS   7 -10.505  -6.069  -4.195
   44   1HB   CSU   7          HB1       CYS   7 -12.846  -5.413  -4.199
   45   2HB   CSU   7          HB2       CYS   7 -12.794  -5.042  -2.461
   46    HD2  CSU   7           H3       SO3  34 -12.515  -1.001  -4.975
   47    H    VAL   8           H        VAL   8 -11.316  -5.844  -0.660
   48    HA   VAL   8           HA       VAL   8  -9.290  -3.879  -0.251
   49    HB   VAL   8           HB       VAL   8 -11.364  -4.176   1.131
   50   1HG1  VAL   8          HG1       VAL   8 -11.136  -6.599   1.687
   51   2HG1  VAL   8          HG1       VAL   8 -11.284  -5.574   3.114
   52   3HG1  VAL   8          HG1       VAL   8  -9.701  -6.229   2.664
   53   1HG2  VAL   8          HG2       VAL   8  -9.558  -2.611   1.704
   54   2HG2  VAL   8          HG2       VAL   8  -8.703  -3.898   2.579
   55   3HG2  VAL   8          HG2       VAL   8 -10.277  -3.319   3.159
   56    H    LEU   9           H        LEU   9  -9.334  -7.448   0.218
   57    HA   LEU   9           HA       LEU   9  -6.705  -7.642   1.328
   58   1HB   LEU   9          HB1       LEU   9  -8.329  -9.533  -0.417
   59   2HB   LEU   9          HB2       LEU   9  -6.783  -9.979   0.310
   60    HG   LEU   9           HG       LEU   9  -9.158  -9.040   1.981
   61   1HD1  LEU   9          HD1       LEU   9  -8.298 -11.882   1.288
   62   2HD1  LEU   9          HD1       LEU   9  -9.774 -11.076   0.715
   63   3HD1  LEU   9          HD1       LEU   9  -9.572 -11.421   2.440
   64   1HD2  LEU   9          HD2       LEU   9  -6.595 -10.543   2.684
   65   2HD2  LEU   9          HD2       LEU   9  -7.938 -10.220   3.797
   66   3HD2  LEU   9          HD2       LEU   9  -6.996  -8.876   3.150
   67    H    GLY  10           H        GLY  10  -7.830  -7.751  -2.082
   68   1HA   GLY  10          HA1       GLY  10  -5.376  -8.048  -3.390
   69   2HA   GLY  10          HA2       GLY  10  -6.783  -7.173  -4.024
   70    H    LYS  11           H        LYS  11  -7.097  -4.988  -2.576
   71    HA   LYS  11           HA       LYS  11  -5.074  -3.170  -3.300
   72   1HB   LYS  11          HB1       LYS  11  -7.337  -3.094  -1.277
   73   2HB   LYS  11          HB2       LYS  11  -6.040  -1.917  -1.154
   74   1HG   LYS  11          HG1       LYS  11  -6.489  -1.550  -3.747
   75   2HG   LYS  11          HG2       LYS  11  -8.094  -2.194  -3.329
   76   1HD   LYS  11          HD1       LYS  11  -8.260  -0.465  -1.517
   77   2HD   LYS  11          HD2       LYS  11  -6.598   0.052  -1.873
   78   1HE   LYS  11          HE1       LYS  11  -7.377   0.618  -4.237
   79   2HE   LYS  11          HE2       LYS  11  -9.038   0.439  -3.639
   80   1HZ   LYS  11          HZ1       LYS  11  -8.505   2.141  -1.994
   81   2HZ   LYS  11          HZ2       LYS  11  -8.224   2.713  -3.513
   82   3HZ   LYS  11          HZ3       LYS  11  -6.961   2.244  -2.560
   83    H    LEU  12           H        LEU  12  -5.663  -4.330   0.076
   84    HA   LEU  12           HA       LEU  12  -3.417  -3.124   1.174
   85   1HB   LEU  12          HB1       LEU  12  -4.783  -5.738   1.907
   86   2HB   LEU  12          HB2       LEU  12  -3.543  -4.987   2.917
   87    HG   LEU  12           HG       LEU  12  -6.119  -3.552   2.130
   88   1HD1  LEU  12          HD1       LEU  12  -5.467  -5.121   4.661
   89   2HD1  LEU  12          HD1       LEU  12  -6.649  -5.585   3.416
   90   3HD1  LEU  12          HD1       LEU  12  -6.919  -4.133   4.397
   91   1HD2  LEU  12          HD2       LEU  12  -4.342  -2.008   2.839
   92   2HD2  LEU  12          HD2       LEU  12  -4.027  -3.000   4.280
   93   3HD2  LEU  12          HD2       LEU  12  -5.567  -2.138   4.100
   94    H    SER  13           H        SER  13  -3.577  -6.416  -0.241
   95    HA   SER  13           HA       SER  13  -0.903  -7.162   0.172
   96   1HB   SER  13          HB1       SER  13  -2.675  -8.648  -0.661
   97   2HB   SER  13          HB2       SER  13  -2.704  -7.800  -2.212
   98    HG   SER  13           HG       SER  13  -0.590  -8.515  -2.576
   99    H    GLN  14           H        GLN  14  -2.222  -5.566  -2.827
  100    HA   GLN  14           HA       GLN  14   0.415  -5.353  -3.979
  101   1HB   GLN  14          HB1       GLN  14  -2.164  -3.871  -4.646
  102   2HB   GLN  14          HB2       GLN  14  -0.678  -3.844  -5.612
  103   1HG   GLN  14          HG1       GLN  14  -0.830  -6.356  -5.823
  104   2HG   GLN  14          HG2       GLN  14  -2.402  -6.287  -5.020
  105   1HE2  GLN  14          HE2       GLN  14  -2.133  -5.372  -8.958
  106   2HE2  GLN  14          HE2       GLN  14  -0.737  -5.920  -8.048
  107    H    GLU  15           H        GLU  15  -1.689  -3.017  -2.383
  108    HA   GLU  15           HA       GLU  15  -0.188  -0.681  -2.700
  109   1HB   GLU  15          HB1       GLU  15  -2.628  -1.107  -2.063
  110   2HB   GLU  15          HB2       GLU  15  -2.090  -1.296  -0.391
  111   1HG   GLU  15          HG1       GLU  15  -1.410   1.057  -0.383
  112   2HG   GLU  15          HG2       GLU  15  -1.673   1.182  -2.135
  113    H    LEU  16           H        LEU  16  -0.294  -2.950   0.153
  114    HA   LEU  16           HA       LEU  16   1.825  -1.584   1.533
  115   1HB   LEU  16          HB1       LEU  16   0.853  -4.445   1.802
  116   2HB   LEU  16          HB2       LEU  16   1.972  -3.648   2.901
  117    HG   LEU  16           HG       LEU  16  -0.860  -2.617   2.404
  118   1HD1  LEU  16          HD1       LEU  16   0.216  -4.332   4.681
  119   2HD1  LEU  16          HD1       LEU  16  -0.897  -4.878   3.408
  120   3HD1  LEU  16          HD1       LEU  16  -1.417  -3.642   4.566
  121   1HD2  LEU  16          HD2       LEU  16   0.624  -0.863   3.258
  122   2HD2  LEU  16          HD2       LEU  16   1.230  -1.954   4.525
  123   3HD2  LEU  16          HD2       LEU  16  -0.458  -1.405   4.542
  124    H    HIS  17           H        HIS  17   1.806  -4.430  -0.707
  125    HA   HIS  17           HA       HIS  17   4.557  -4.992  -0.474
  126   1HB   HIS  17          HB1       HIS  17   2.925  -6.419  -1.636
  127   2HB   HIS  17          HB2       HIS  17   2.864  -5.270  -2.977
  128    HD1  HIS  17           HD1      HIS  17   6.231  -4.915  -2.951
  129    HD2  HIS  17           HD2      HIS  17   3.849  -8.408  -3.130
  130    HE1  HIS  17           HE1      HIS  17   7.672  -6.737  -4.057
  131    H    LYS  18           H        LYS  18   2.894  -2.533  -2.504
  132    HA   LYS  18           HA       LYS  18   5.304  -1.615  -3.816
  133   1HB   LYS  18          HB1       LYS  18   2.603  -0.320  -3.304
  134   2HB   LYS  18          HB2       LYS  18   3.916   0.473  -4.187
  135   1HG   LYS  18          HG1       LYS  18   3.945  -1.243  -5.882
  136   2HG   LYS  18          HG2       LYS  18   2.811  -2.255  -4.974
  137   1HD   LYS  18          HD1       LYS  18   1.063  -0.516  -5.169
  138   2HD   LYS  18          HD2       LYS  18   2.190   0.518  -6.078
  139   1HE   LYS  18          HE1       LYS  18   2.355  -1.237  -7.851
  140   2HE   LYS  18          HE2       LYS  18   1.238  -2.268  -6.938
  141   1HZ   LYS  18          HZ1       LYS  18   0.586   0.374  -8.072
  142   2HZ   LYS  18          HZ2       LYS  18  -0.452  -0.582  -7.223
  143   3HZ   LYS  18          HZ3       LYS  18   0.121  -1.079  -8.680
  144    H    LEU  19           H        LEU  19   3.439  -0.388  -0.989
  145    HA   LEU  19           HA       LEU  19   4.975   1.754  -0.281
  146   1HB   LEU  19          HB1       LEU  19   2.877   1.146   0.820
  147   2HB   LEU  19          HB2       LEU  19   3.659  -0.246   1.579
  148    HG   LEU  19           HG       LEU  19   5.133   1.231   2.887
  149   1HD1  LEU  19          HD1       LEU  19   5.304   3.201   1.433
  150   2HD1  LEU  19          HD1       LEU  19   4.612   3.676   2.985
  151   3HD1  LEU  19          HD1       LEU  19   3.554   3.490   1.572
  152   1HD2  LEU  19          HD2       LEU  19   2.976   0.475   3.796
  153   2HD2  LEU  19          HD2       LEU  19   2.175   1.908   3.113
  154   3HD2  LEU  19          HD2       LEU  19   3.396   2.090   4.391
  155    H    GLN  20           H        GLN  20   5.550  -1.620   0.909
  156    HA   GLN  20           HA       GLN  20   7.823  -0.884   2.431
  157   1HB   GLN  20          HB1       GLN  20   8.333  -3.226   2.634
  158   2HB   GLN  20          HB2       GLN  20   6.595  -2.937   2.809
  159   1HG   GLN  20          HG1       GLN  20   6.270  -3.652   0.451
  160   2HG   GLN  20          HG2       GLN  20   8.004  -3.996   0.319
  161   1HE2  GLN  20          HE2       GLN  20   6.825  -7.305   1.028
  162   2HE2  GLN  20          HE2       GLN  20   7.236  -6.203  -0.281
  163    H    THR  21           H        THR  21   7.619  -1.331  -1.051
  164    HA   THR  21           HA       THR  21  10.598  -1.359  -1.288
  165    HB   THR  21           HB       THR  21  10.005  -1.663  -3.750
  166    HG1  THR  21           HG1      THR  21   7.628  -1.103  -3.083
  167   1HG2  THR  21          HG2       THR  21  10.762  -3.528  -2.305
  168   2HG2  THR  21          HG2       THR  21   9.558  -4.049  -3.503
  169   3HG2  THR  21          HG2       THR  21   9.077  -3.817  -1.807
  170    H    TYR  22           H        TYR  22   8.322   1.005  -0.769
  171    HA   TYR  22           HA       TYR  22   8.721   2.596  -3.092
  172   1HB   TYR  22          HB1       TYR  22   6.752   2.533  -1.505
  173   2HB   TYR  22          HB2       TYR  22   7.693   3.511  -0.382
  174    HD1  TYR  22           HD1      TYR  22   8.099   5.917  -0.911
  175    HD2  TYR  22           HD2      TYR  22   5.938   3.362  -3.634
  176    HE1  TYR  22           HE1      TYR  22   7.382   7.899  -2.203
  177    HE2  TYR  22           HE2      TYR  22   5.211   5.356  -4.920
  178    HH   TYR  22           HH       TYR  22   6.158   8.672  -4.004
  179    HA   PRO  23           HA       PRO  23  12.540   4.641  -1.861
  180   1HB   PRO  23          HB1       PRO  23  12.428   6.974  -3.301
  181   2HB   PRO  23          HB2       PRO  23  12.766   5.373  -4.016
  182   1HG   PRO  23          HG1       PRO  23  10.092   6.791  -3.874
  183   2HG   PRO  23          HG2       PRO  23  10.868   6.065  -5.313
  184   1HD   PRO  23          HD1       PRO  23   9.015   4.706  -3.937
  185   2HD   PRO  23          HD2       PRO  23  10.474   3.850  -4.494
  186    H    ARG  24           H        ARG  24  11.853   4.803   0.304
  187    HA   ARG  24           HA       ARG  24  10.370   6.921   1.452
  188   1HB   ARG  24          HB1       ARG  24  10.956   4.736   2.495
  189   2HB   ARG  24          HB2       ARG  24  12.631   5.282   2.641
  190   1HG   ARG  24          HG1       ARG  24  11.763   7.203   4.116
  191   2HG   ARG  24          HG2       ARG  24  10.153   6.479   3.981
  192   1HD   ARG  24          HD1       ARG  24  11.210   5.772   6.062
  193   2HD   ARG  24          HD2       ARG  24  11.023   4.382   4.965
  194    HE   ARG  24           HE       ARG  24  13.586   5.721   4.675
  195   1HH1  ARG  24          HH1       ARG  24  15.395   3.213   6.372
  196   2HH1  ARG  24          HH1       ARG  24  15.495   4.568   5.296
  197   1HH2  ARG  24          HH2       ARG  24  11.861   3.411   6.699
  198   2HH2  ARG  24          HH2       ARG  24  13.267   2.513   7.179
  199    H    THR  25           H        THR  25  11.279   8.701   0.044
  200    HA   THR  25           HA       THR  25  13.864   9.753   0.287
  201    HB   THR  25           HB       THR  25  12.513  11.917  -0.401
  202    HG1  THR  25           HG1      THR  25  10.450  11.326   0.263
  203   1HG2  THR  25          HG2       THR  25  12.349   9.349  -2.045
  204   2HG2  THR  25          HG2       THR  25  13.720  10.482  -2.010
  205   3HG2  THR  25          HG2       THR  25  12.153  11.000  -2.664
  206    H    ASN  26           H        ASN  26  11.043  10.271   2.355
  207    HA   ASN  26           HA       ASN  26  12.083  12.704   3.483
  208   1HB   ASN  26          HB1       ASN  26   9.646  11.045   4.200
  209   2HB   ASN  26          HB2       ASN  26  10.021  12.658   4.828
  210   1HD2  ASN  26          HD2       ASN  26   8.399  14.217   2.141
  211   2HD2  ASN  26          HD2       ASN  26   8.766  14.228   3.854
  212    H    THR  27           H        THR  27  14.112  11.351   4.041
  213    HA   THR  27           HA       THR  27  14.267   9.812   6.379
  214    HB   THR  27           HB       THR  27  16.438  11.505   5.077
  215    HG1  THR  27           HG1      THR  27  16.580   9.876   3.596
  216   1HG2  THR  27          HG2       THR  27  17.905   9.614   5.716
  217   2HG2  THR  27          HG2       THR  27  16.534   8.789   6.486
  218   3HG2  THR  27          HG2       THR  27  17.155  10.313   7.157
  219    H    GLY  28           H        GLY  28  12.775  11.389   7.584
  220   1HA   GLY  28          HA1       GLY  28  14.337  12.481   9.781
  221   2HA   GLY  28          HA2       GLY  28  13.508  13.739   8.840
  222    H    SER  29           H        SER  29  12.708  10.382   9.730
  223    HA   SER  29           HA       SER  29  10.822   9.387  10.461
  224   1HB   SER  29          HB1       SER  29  11.612  10.848  12.507
  225   2HB   SER  29          HB2       SER  29  10.174  11.817  12.155
  226    HG   SER  29           HG       SER  29  10.298   9.020  12.725
  227    H    GLY  30           H        GLY  30  10.523  10.496   7.969
  228   1HA   GLY  30          HA1       GLY  30   8.840  11.004   6.478
  229   2HA   GLY  30          HA2       GLY  30   7.659  10.984   7.795
  230    H    THR  31           H        THR  31  10.633  12.898   6.976
  231    HA   THR  31           HA       THR  31  10.132  15.191   8.224
  232    HB   THR  31           HB       THR  31  11.181  15.334   5.388
  233    HG1  THR  31           HG1      THR  31  13.100  14.294   6.267
  234   1HG2  THR  31          HG2       THR  31  12.288  16.254   8.081
  235   2HG2  THR  31          HG2       THR  31  11.419  17.280   6.915
  236   3HG2  THR  31          HG2       THR  31  12.993  16.592   6.486
  237    HA   PRO  32           HA       PRO  32   6.441  16.726   6.009
  238   1HB   PRO  32          HB1       PRO  32   6.152  19.172   7.194
  239   2HB   PRO  32          HB2       PRO  32   5.779  17.643   8.042
  240   1HG   PRO  32          HG1       PRO  32   8.347  19.250   8.187
  241   2HG   PRO  32          HG2       PRO  32   7.365  18.632   9.548
  242   1HD   PRO  32          HD1       PRO  32   9.547  17.313   8.628
  243   2HD   PRO  32          HD2       PRO  32   8.101  16.401   9.162
  244   1HN   NH2  33          H1        NH2  35   7.315  19.250   3.631
  245   2HN   NH2  33          H2        NH2  35   5.992  18.432   4.378
  Start of MODEL    8
    1   1HN   CSU   1          H1        CYS   1 -13.770  -7.663 -10.867
    2   2HN   CSU   1          H2        CYS   1 -13.410  -6.209  -9.970
    3    HA   CSU   1           HA       CYS   1 -12.407  -8.971  -9.316
    4   1HB   CSU   1          HB1       CYS   1 -12.026  -6.265  -7.958
    5   2HB   CSU   1          HB2       CYS   1 -11.693  -7.823  -7.166
    6    HD2  CSU   1           H3       SO3  33  -7.640  -5.988  -8.866
    7    HXT  CSU   1           H3       CYS   1 -12.141  -7.058 -10.801
    8    H    SER   2           H        SER   2 -14.379  -6.209  -8.268
    9    HA   SER   2           HA       SER   2 -16.284  -5.994  -7.077
   10   1HB   SER   2          HB1       SER   2 -16.903  -8.911  -7.718
   11   2HB   SER   2          HB2       SER   2 -18.041  -7.667  -7.217
   12    HG   SER   2           HG       SER   2 -16.472  -7.600  -9.574
   13    H    ASN   3           H        ASN   3 -17.543  -6.935  -5.148
   14    HA   ASN   3           HA       ASN   3 -17.692  -7.564  -3.059
   15   1HB   ASN   3          HB1       ASN   3 -17.234  -9.801  -3.686
   16   2HB   ASN   3          HB2       ASN   3 -15.494  -9.537  -3.683
   17   1HD2  ASN   3          HD2       ASN   3 -15.276 -10.476  -0.317
   18   2HD2  ASN   3          HD2       ASN   3 -14.693 -10.737  -1.969
   19    H    LEU   4           H        LEU   4 -17.190  -6.687  -1.153
   20    HA   LEU   4           HA       LEU   4 -15.159  -4.682  -1.045
   21   1HB   LEU   4          HB1       LEU   4 -17.045  -5.956   0.972
   22   2HB   LEU   4          HB2       LEU   4 -15.775  -4.883   1.558
   23    HG   LEU   4           HG       LEU   4 -17.936  -3.752   1.255
   24   1HD1  LEU   4          HD1       LEU   4 -15.741  -2.587  -0.502
   25   2HD1  LEU   4          HD1       LEU   4 -15.804  -2.504   1.267
   26   3HD1  LEU   4          HD1       LEU   4 -17.054  -1.712   0.300
   27   1HD2  LEU   4          HD2       LEU   4 -18.778  -3.127  -0.931
   28   2HD2  LEU   4          HD2       LEU   4 -18.706  -4.894  -0.822
   29   3HD2  LEU   4          HD2       LEU   4 -17.474  -4.005  -1.745
   30    H    SER   5           H        SER   5 -15.265  -7.938   0.600
   31    HA   SER   5           HA       SER   5 -12.791  -7.548   1.925
   32   1HB   SER   5          HB1       SER   5 -12.987 -10.285   1.577
   33   2HB   SER   5          HB2       SER   5 -13.716  -9.347   2.885
   34    HG   SER   5           HG       SER   5 -15.396 -10.442   2.005
   35    H    THR   6           H        THR   6 -13.470  -9.235  -1.151
   36    HA   THR   6           HA       THR   6 -10.812  -9.847  -1.850
   37    HB   THR   6           HB       THR   6 -13.084  -9.040  -3.726
   38    HG1  THR   6           HG1      THR   6 -12.497 -11.587  -2.619
   39   1HG2  THR   6          HG2       THR   6 -10.939  -9.395  -4.893
   40   2HG2  THR   6          HG2       THR   6 -12.078 -10.699  -5.255
   41   3HG2  THR   6          HG2       THR   6 -10.755 -10.977  -4.102
   42   1HN   CSU   7          H         CYS   7 -12.722  -6.910  -2.742
   43    HA   CSU   7           HA       CYS   7 -10.689  -5.594  -4.165
   44   1HB   CSU   7          HB1       CYS   7 -13.006  -4.839  -4.225
   45   2HB   CSU   7          HB2       CYS   7 -12.962  -4.432  -2.491
   46    HD2  CSU   7           H3       SO3  34 -12.476  -0.465  -5.100
   47    H    VAL   8           H        VAL   8 -11.526  -5.191  -0.664
   48    HA   VAL   8           HA       VAL   8  -9.441  -3.288  -0.305
   49    HB   VAL   8           HB       VAL   8 -11.517  -3.509   1.083
   50   1HG1  VAL   8          HG1       VAL   8 -11.475  -4.866   3.093
   51   2HG1  VAL   8          HG1       VAL   8  -9.872  -5.513   2.703
   52   3HG1  VAL   8          HG1       VAL   8 -11.270  -5.922   1.690
   53   1HG2  VAL   8          HG2       VAL   8 -10.416  -2.605   3.090
   54   2HG2  VAL   8          HG2       VAL   8  -9.698  -1.948   1.609
   55   3HG2  VAL   8          HG2       VAL   8  -8.848  -3.213   2.522
   56    H    LEU   9           H        LEU   9  -9.528  -6.844   0.276
   57    HA   LEU   9           HA       LEU   9  -6.891  -6.990   1.399
   58   1HB   LEU   9          HB1       LEU   9  -8.530  -8.980  -0.208
   59   2HB   LEU   9          HB2       LEU   9  -6.975  -9.381   0.526
   60    HG   LEU   9           HG       LEU   9  -9.327  -8.344   2.162
   61   1HD1  LEU   9          HD1       LEU   9  -9.938 -10.464   1.041
   62   2HD1  LEU   9          HD1       LEU   9  -9.724 -10.699   2.784
   63   3HD1  LEU   9          HD1       LEU   9  -8.454 -11.223   1.658
   64   1HD2  LEU   9          HD2       LEU   9  -8.079  -9.405   4.037
   65   2HD2  LEU   9          HD2       LEU   9  -7.159  -8.092   3.298
   66   3HD2  LEU   9          HD2       LEU   9  -6.745  -9.781   2.930
   67    H    GLY  10           H        GLY  10  -8.051  -7.197  -1.999
   68   1HA   GLY  10          HA1       GLY  10  -5.599  -7.570  -3.312
   69   2HA   GLY  10          HA2       GLY  10  -6.991  -6.678  -3.954
   70    H    LYS  11           H        LYS  11  -7.265  -4.455  -2.600
   71    HA   LYS  11           HA       LYS  11  -5.212  -2.695  -3.375
   72   1HB   LYS  11          HB1       LYS  11  -7.353  -2.468  -1.215
   73   2HB   LYS  11          HB2       LYS  11  -6.119  -1.233  -1.461
   74   1HG   LYS  11          HG1       LYS  11  -6.839  -1.181  -3.928
   75   2HG   LYS  11          HG2       LYS  11  -8.288  -2.070  -3.403
   76   1HD   LYS  11          HD1       LYS  11  -8.772  -0.275  -1.751
   77   2HD   LYS  11          HD2       LYS  11  -7.251   0.541  -2.174
   78   1HE   LYS  11          HE1       LYS  11  -8.101   0.810  -4.536
   79   2HE   LYS  11          HE2       LYS  11  -9.672   0.192  -3.993
   80   1HZ   LYS  11          HZ1       LYS  11  -9.578   2.595  -3.985
   81   2HZ   LYS  11          HZ2       LYS  11  -8.295   2.592  -2.957
   82   3HZ   LYS  11          HZ3       LYS  11  -9.760   2.047  -2.443
   83    H    LEU  12           H        LEU  12  -5.822  -3.830   0.001
   84    HA   LEU  12           HA       LEU  12  -3.581  -2.634   1.136
   85   1HB   LEU  12          HB1       LEU  12  -4.996  -5.231   1.833
   86   2HB   LEU  12          HB2       LEU  12  -3.736  -4.532   2.852
   87    HG   LEU  12           HG       LEU  12  -6.260  -2.996   2.100
   88   1HD1  LEU  12          HD1       LEU  12  -5.676  -4.658   4.587
   89   2HD1  LEU  12          HD1       LEU  12  -6.871  -5.045   3.330
   90   3HD1  LEU  12          HD1       LEU  12  -7.091  -3.611   4.348
   91   1HD2  LEU  12          HD2       LEU  12  -4.424  -1.542   2.862
   92   2HD2  LEU  12          HD2       LEU  12  -4.160  -2.584   4.277
   93   3HD2  LEU  12          HD2       LEU  12  -5.664  -1.658   4.110
   94    H    SER  13           H        SER  13  -3.751  -5.919  -0.310
   95    HA   SER  13           HA       SER  13  -1.083  -6.668   0.207
   96   1HB   SER  13          HB1       SER  13  -2.898  -8.169  -0.618
   97   2HB   SER  13          HB2       SER  13  -2.796  -7.401  -2.208
   98    HG   SER  13           HG       SER  13  -0.750  -8.846  -0.857
   99    H    GLN  14           H        GLN  14  -2.402  -5.132  -2.799
  100    HA   GLN  14           HA       GLN  14   0.169  -4.983  -4.078
  101   1HB   GLN  14          HB1       GLN  14  -2.407  -3.421  -4.536
  102   2HB   GLN  14          HB2       GLN  14  -0.999  -3.395  -5.615
  103   1HG   GLN  14          HG1       GLN  14  -1.200  -5.827  -5.994
  104   2HG   GLN  14          HG2       GLN  14  -2.560  -5.913  -4.876
  105   1HE2  GLN  14          HE2       GLN  14  -3.141  -4.376  -8.643
  106   2HE2  GLN  14          HE2       GLN  14  -1.509  -4.541  -8.025
  107    H    GLU  15           H        GLU  15  -1.709  -2.663  -2.189
  108    HA   GLU  15           HA       GLU  15  -0.080  -0.395  -2.539
  109   1HB   GLU  15          HB1       GLU  15  -2.490  -0.556  -1.840
  110   2HB   GLU  15          HB2       GLU  15  -1.960  -1.000  -0.214
  111   1HG   GLU  15          HG1       GLU  15  -0.879   1.200   0.012
  112   2HG   GLU  15          HG2       GLU  15  -1.233   1.577  -1.686
  113    H    LEU  16           H        LEU  16  -0.197  -2.807   0.189
  114    HA   LEU  16           HA       LEU  16   2.012  -1.567   1.520
  115   1HB   LEU  16          HB1       LEU  16   1.967  -3.236   3.111
  116   2HB   LEU  16          HB2       LEU  16   0.311  -2.884   2.642
  117    HG   LEU  16           HG       LEU  16   0.567  -5.030   1.110
  118   1HD1  LEU  16          HD1       LEU  16   2.778  -5.464   3.165
  119   2HD1  LEU  16          HD1       LEU  16   2.925  -5.531   1.393
  120   3HD1  LEU  16          HD1       LEU  16   1.997  -6.760   2.234
  121   1HD2  LEU  16          HD2       LEU  16  -0.228  -6.410   2.992
  122   2HD2  LEU  16          HD2       LEU  16  -0.957  -4.801   3.061
  123   3HD2  LEU  16          HD2       LEU  16   0.387  -5.207   4.146
  124    H    HIS  17           H        HIS  17   1.786  -4.168  -0.931
  125    HA   HIS  17           HA       HIS  17   4.542  -4.888  -0.898
  126   1HB   HIS  17          HB1       HIS  17   2.834  -6.130  -2.135
  127   2HB   HIS  17          HB2       HIS  17   2.642  -4.783  -3.270
  128    HD1  HIS  17           HD1      HIS  17   6.196  -4.721  -2.964
  129    HD2  HIS  17           HD2      HIS  17   3.369  -7.390  -4.648
  130    HE1  HIS  17           HE1      HIS  17   7.467  -6.124  -4.723
  131    H    LYS  18           H        LYS  18   2.834  -2.238  -2.660
  132    HA   LYS  18           HA       LYS  18   5.155  -1.119  -3.881
  133   1HB   LYS  18          HB1       LYS  18   2.360  -0.213  -3.299
  134   2HB   LYS  18          HB2       LYS  18   3.581   1.056  -3.372
  135   1HG   LYS  18          HG1       LYS  18   4.337   0.158  -5.581
  136   2HG   LYS  18          HG2       LYS  18   2.964  -0.967  -5.573
  137   1HD   LYS  18          HD1       LYS  18   1.362   0.822  -5.637
  138   2HD   LYS  18          HD2       LYS  18   2.556   1.997  -5.084
  139   1HE   LYS  18          HE1       LYS  18   3.799   1.445  -7.357
  140   2HE   LYS  18          HE2       LYS  18   2.215   0.849  -7.866
  141   1HZ   LYS  18          HZ1       LYS  18   2.594   3.181  -8.398
  142   2HZ   LYS  18          HZ2       LYS  18   2.833   3.539  -6.804
  143   3HZ   LYS  18          HZ3       LYS  18   1.345   3.054  -7.331
  144    H    LEU  19           H        LEU  19   3.464  -0.133  -0.879
  145    HA   LEU  19           HA       LEU  19   5.104   1.897  -0.090
  146   1HB   LEU  19          HB1       LEU  19   2.981   1.306   0.999
  147   2HB   LEU  19          HB2       LEU  19   3.724  -0.153   1.674
  148    HG   LEU  19           HG       LEU  19   5.231   1.180   3.066
  149   1HD1  LEU  19          HD1       LEU  19   5.534   3.208   1.712
  150   2HD1  LEU  19          HD1       LEU  19   4.851   3.646   3.280
  151   3HD1  LEU  19          HD1       LEU  19   3.801   3.585   1.850
  152   1HD2  LEU  19          HD2       LEU  19   2.319   2.032   3.306
  153   2HD2  LEU  19          HD2       LEU  19   3.535   2.064   4.600
  154   3HD2  LEU  19          HD2       LEU  19   3.011   0.516   3.917
  155    H    GLN  20           H        GLN  20   5.582  -1.608   0.685
  156    HA   GLN  20           HA       GLN  20   7.938  -1.308   2.219
  157   1HB   GLN  20          HB1       GLN  20   6.971  -3.494   0.361
  158   2HB   GLN  20          HB2       GLN  20   8.508  -3.621   1.233
  159   1HG   GLN  20          HG1       GLN  20   7.443  -3.409   3.387
  160   2HG   GLN  20          HG2       GLN  20   5.872  -3.046   2.659
  161   1HE2  GLN  20          HE2       GLN  20   5.230  -6.412   1.593
  162   2HE2  GLN  20          HE2       GLN  20   4.952  -4.706   1.189
  163    H    THR  21           H        THR  21   7.715  -1.742  -1.368
  164    HA   THR  21           HA       THR  21  10.619  -1.471  -1.543
  165    HB   THR  21           HB       THR  21   9.394  -3.110  -2.913
  166    HG1  THR  21           HG1      THR  21  10.991  -1.103  -4.068
  167   1HG2  THR  21          HG2       THR  21   8.265  -2.393  -4.969
  168   2HG2  THR  21          HG2       THR  21   8.414  -0.690  -4.508
  169   3HG2  THR  21          HG2       THR  21   7.397  -1.785  -3.555
  170    H    TYR  22           H        TYR  22   8.045   0.829  -1.609
  171    HA   TYR  22           HA       TYR  22   9.056   2.731  -3.395
  172   1HB   TYR  22          HB1       TYR  22   7.449   2.868  -0.836
  173   2HB   TYR  22          HB2       TYR  22   8.075   4.357  -1.507
  174    HD1  TYR  22           HD1      TYR  22   5.716   5.091  -1.523
  175    HD2  TYR  22           HD2      TYR  22   7.077   1.865  -4.052
  176    HE1  TYR  22           HE1      TYR  22   3.913   5.584  -3.129
  177    HE2  TYR  22           HE2      TYR  22   5.355   2.440  -5.704
  178    HH   TYR  22           HH       TYR  22   3.131   5.199  -5.210
  179    HA   PRO  23           HA       PRO  23  12.907   4.024  -1.952
  180   1HB   PRO  23          HB1       PRO  23  13.140   6.608  -2.808
  181   2HB   PRO  23          HB2       PRO  23  13.008   5.217  -3.916
  182   1HG   PRO  23          HG1       PRO  23  10.752   7.000  -2.958
  183   2HG   PRO  23          HG2       PRO  23  11.176   6.582  -4.651
  184   1HD   PRO  23          HD1       PRO  23   9.253   5.216  -3.348
  185   2HD   PRO  23          HD2       PRO  23  10.430   4.346  -4.375
  186    H    ARG  24           H        ARG  24  12.079   3.701   0.250
  187    HA   ARG  24           HA       ARG  24  11.424   5.861   2.009
  188   1HB   ARG  24          HB1       ARG  24  10.901   3.516   2.292
  189   2HB   ARG  24          HB2       ARG  24  12.620   3.110   2.502
  190   1HG   ARG  24          HG1       ARG  24  12.647   4.485   4.594
  191   2HG   ARG  24          HG2       ARG  24  10.930   4.831   4.383
  192   1HD   ARG  24          HD1       ARG  24  12.142   2.022   4.692
  193   2HD   ARG  24          HD2       ARG  24  11.465   2.975   5.996
  194    HE   ARG  24           HE       ARG  24   9.313   2.664   5.269
  195   1HH1  ARG  24          HH1       ARG  24   7.986   1.088   2.479
  196   2HH1  ARG  24          HH1       ARG  24   7.623   1.816   4.011
  197   1HH2  ARG  24          HH2       ARG  24  11.486   1.148   2.905
  198   2HH2  ARG  24          HH2       ARG  24  10.206   0.449   1.957
  199    H    THR  25           H        THR  25  13.254   7.247   0.885
  200    HA   THR  25           HA       THR  25  15.902   6.907   2.134
  201    HB   THR  25           HB       THR  25  16.371   8.941   0.709
  202    HG1  THR  25           HG1      THR  25  14.657   9.280  -0.904
  203   1HG2  THR  25          HG2       THR  25  16.786   6.633  -0.107
  204   2HG2  THR  25          HG2       THR  25  16.310   7.715  -1.431
  205   3HG2  THR  25          HG2       THR  25  15.133   6.564  -0.765
  206    H    ASN  26           H        ASN  26  13.956   9.820   1.655
  207    HA   ASN  26           HA       ASN  26  14.995  11.043   4.026
  208   1HB   ASN  26          HB1       ASN  26  14.344  12.404   2.108
  209   2HB   ASN  26          HB2       ASN  26  12.652  11.956   2.336
  210   1HD2  ASN  26          HD2       ASN  26  12.759  15.137   4.094
  211   2HD2  ASN  26          HD2       ASN  26  12.506  14.452   2.506
  212    H    THR  27           H        THR  27  14.507   9.436   5.547
  213    HA   THR  27           HA       THR  27  11.815   9.369   6.736
  214    HB   THR  27           HB       THR  27  13.317   7.930   8.393
  215    HG1  THR  27           HG1      THR  27  14.884   7.756   6.014
  216   1HG2  THR  27          HG2       THR  27  12.752   7.049   5.518
  217   2HG2  THR  27          HG2       THR  27  11.618   6.967   6.880
  218   3HG2  THR  27          HG2       THR  27  13.085   5.975   6.890
  219    H    GLY  28           H        GLY  28  13.993  11.810   6.582
  220   1HA   GLY  28          HA1       GLY  28  14.631  12.188   9.412
  221   2HA   GLY  28          HA2       GLY  28  15.041  13.260   8.027
  222    H    SER  29           H        SER  29  11.992  12.063   9.516
  223    HA   SER  29           HA       SER  29  10.036  13.112  10.105
  224   1HB   SER  29          HB1       SER  29  11.906  14.200  11.631
  225   2HB   SER  29          HB2       SER  29  11.593  15.663  10.667
  226    HG   SER  29           HG       SER  29  10.252  15.553  12.523
  227    H    GLY  30           H        GLY  30  10.974  13.272   7.260
  228   1HA   GLY  30          HA1       GLY  30  10.337  15.956   6.307
  229   2HA   GLY  30          HA2       GLY  30  10.765  14.523   5.372
  230    H    THR  31           H        THR  31   8.127  16.027   7.116
  231    HA   THR  31           HA       THR  31   6.008  16.457   6.244
  232    HB   THR  31           HB       THR  31   5.984  13.801   4.783
  233    HG1  THR  31           HG1      THR  31   7.487  14.958   3.747
  234   1HG2  THR  31          HG2       THR  31   4.185  14.786   3.468
  235   2HG2  THR  31          HG2       THR  31   4.247  16.270   4.415
  236   3HG2  THR  31          HG2       THR  31   3.745  14.738   5.172
  237    HA   PRO  32           HA       PRO  32   4.542  13.985   9.739
  238   1HB   PRO  32          HB1       PRO  32   1.884  14.679   9.818
  239   2HB   PRO  32          HB2       PRO  32   3.200  15.779  10.353
  240   1HG   PRO  32          HG1       PRO  32   1.832  15.705   7.640
  241   2HG   PRO  32          HG2       PRO  32   2.094  17.131   8.703
  242   1HD   PRO  32          HD1       PRO  32   3.759  16.597   6.665
  243   2HD   PRO  32          HD2       PRO  32   4.435  17.139   8.228
  244   1HN   NH2  33          H1        NH2  35   2.869  11.063   8.615
  245   2HN   NH2  33          H2        NH2  35   3.627  11.864   9.942
  Start of MODEL    9
    1   1HN   CSU   1          H1        CYS   1 -16.024 -11.616  -7.138
    2   2HN   CSU   1          H2        CYS   1 -17.681 -11.657  -7.688
    3    HA   CSU   1           HA       CYS   1 -15.484  -9.969  -8.838
    4   1HB   CSU   1          HB1       CYS   1 -17.057 -10.565 -10.573
    5   2HB   CSU   1          HB2       CYS   1 -18.445 -10.220  -9.518
    6    HD2  CSU   1           H3       SO3  33 -17.842  -6.629 -12.602
    7    HXT  CSU   1           H3       CYS   1 -16.402 -12.205  -8.730
    8    H    SER   2           H        SER   2 -18.775  -9.700  -7.314
    9    HA   SER   2           HA       SER   2 -18.231  -7.045  -6.329
   10   1HB   SER   2          HB1       SER   2 -20.649  -7.622  -5.379
   11   2HB   SER   2          HB2       SER   2 -20.380  -7.394  -7.114
   12    HG   SER   2           HG       SER   2 -21.548  -9.344  -6.613
   13    H    ASN   3           H        ASN   3 -16.302  -8.688  -5.220
   14    HA   ASN   3           HA       ASN   3 -17.215  -9.436  -2.466
   15   1HB   ASN   3          HB1       ASN   3 -14.768 -10.265  -4.066
   16   2HB   ASN   3          HB2       ASN   3 -15.183 -10.803  -2.428
   17   1HD2  ASN   3          HD2       ASN   3 -17.794 -13.011  -3.517
   18   2HD2  ASN   3          HD2       ASN   3 -17.214 -12.084  -2.146
   19    H    LEU   4           H        LEU   4 -17.255  -7.122  -1.997
   20    HA   LEU   4           HA       LEU   4 -15.219  -5.339  -2.252
   21   1HB   LEU   4          HB1       LEU   4 -17.642  -5.478  -0.731
   22   2HB   LEU   4          HB2       LEU   4 -16.399  -4.985   0.404
   23    HG   LEU   4           HG       LEU   4 -17.483  -3.068  -0.535
   24   1HD1  LEU   4          HD1       LEU   4 -15.063  -2.875  -0.028
   25   2HD1  LEU   4          HD1       LEU   4 -15.595  -1.767  -1.305
   26   3HD1  LEU   4          HD1       LEU   4 -14.679  -3.220  -1.727
   27   1HD2  LEU   4          HD2       LEU   4 -17.479  -2.479  -2.882
   28   2HD2  LEU   4          HD2       LEU   4 -18.239  -4.065  -2.670
   29   3HD2  LEU   4          HD2       LEU   4 -16.590  -3.946  -3.316
   30    H    SER   5           H        SER   5 -15.512  -7.643   0.504
   31    HA   SER   5           HA       SER   5 -13.292  -6.956   1.977
   32   1HB   SER   5          HB1       SER   5 -14.135  -9.818   1.394
   33   2HB   SER   5          HB2       SER   5 -13.497  -9.138   2.901
   34    HG   SER   5           HG       SER   5 -15.442  -7.924   3.057
   35    H    THR   6           H        THR   6 -13.400  -9.315  -0.781
   36    HA   THR   6           HA       THR   6 -10.639  -9.916  -0.788
   37    HB   THR   6           HB       THR   6 -12.542  -9.940  -3.166
   38    HG1  THR   6           HG1      THR   6 -12.275 -11.847  -1.079
   39   1HG2  THR   6          HG2       THR   6 -11.284 -11.967  -3.786
   40   2HG2  THR   6          HG2       THR   6 -10.233 -11.773  -2.367
   41   3HG2  THR   6          HG2       THR   6 -10.204 -10.566  -3.670
   42   1HN   CSU   7          H         CYS   7 -12.597  -7.488  -2.571
   43    HA   CSU   7           HA       CYS   7 -10.537  -6.456  -4.205
   44   1HB   CSU   7          HB1       CYS   7 -12.885  -5.878  -4.559
   45   2HB   CSU   7          HB2       CYS   7 -12.931  -4.975  -3.029
   46    HD2  CSU   7           H3       SO3  34 -12.420  -1.934  -6.659
   47    H    VAL   8           H        VAL   8 -11.624  -5.234  -0.958
   48    HA   VAL   8           HA       VAL   8  -9.576  -3.248  -0.940
   49    HB   VAL   8           HB       VAL   8 -11.667  -3.068   0.341
   50   1HG1  VAL   8          HG1       VAL   8 -11.847  -4.022   2.583
   51   2HG1  VAL   8          HG1       VAL   8 -10.355  -4.949   2.358
   52   3HG1  VAL   8          HG1       VAL   8 -11.790  -5.300   1.371
   53   1HG2  VAL   8          HG2       VAL   8 -10.660  -1.892   2.233
   54   2HG2  VAL   8          HG2       VAL   8  -9.720  -1.603   0.760
   55   3HG2  VAL   8          HG2       VAL   8  -9.125  -2.744   1.985
   56    H    LEU   9           H        LEU   9  -9.654  -6.579   0.466
   57    HA   LEU   9           HA       LEU   9  -7.101  -6.406   1.724
   58   1HB   LEU   9          HB1       LEU   9  -8.596  -8.730   0.461
   59   2HB   LEU   9          HB2       LEU   9  -7.073  -8.938   1.328
   60    HG   LEU   9           HG       LEU   9  -9.510  -7.646   2.627
   61   1HD1  LEU   9          HD1       LEU   9  -8.619 -10.561   2.702
   62   2HD1  LEU   9          HD1       LEU   9 -10.080  -9.941   1.903
   63   3HD1  LEU   9          HD1       LEU   9  -9.929  -9.845   3.665
   64   1HD2  LEU   9          HD2       LEU   9  -6.971  -8.902   3.767
   65   2HD2  LEU   9          HD2       LEU   9  -8.348  -8.315   4.720
   66   3HD2  LEU   9          HD2       LEU   9  -7.381  -7.173   3.785
   67    H    GLY  10           H        GLY  10  -7.955  -7.433  -1.610
   68   1HA   GLY  10          HA1       GLY  10  -5.357  -7.973  -2.565
   69   2HA   GLY  10          HA2       GLY  10  -6.734  -7.426  -3.540
   70    H    LYS  11           H        LYS  11  -7.274  -4.930  -2.699
   71    HA   LYS  11           HA       LYS  11  -5.357  -3.312  -3.943
   72   1HB   LYS  11          HB1       LYS  11  -7.780  -2.730  -3.481
   73   2HB   LYS  11          HB2       LYS  11  -7.313  -2.369  -1.809
   74   1HG   LYS  11          HG1       LYS  11  -5.576  -0.734  -2.799
   75   2HG   LYS  11          HG2       LYS  11  -6.346  -1.029  -4.370
   76   1HD   LYS  11          HD1       LYS  11  -8.568  -0.368  -3.203
   77   2HD   LYS  11          HD2       LYS  11  -7.569   0.199  -1.857
   78   1HE   LYS  11          HE1       LYS  11  -7.549   1.201  -4.749
   79   2HE   LYS  11          HE2       LYS  11  -8.159   2.061  -3.328
   80   1HZ   LYS  11          HZ1       LYS  11  -5.791   2.028  -2.487
   81   2HZ   LYS  11          HZ2       LYS  11  -5.987   2.876  -3.882
   82   3HZ   LYS  11          HZ3       LYS  11  -5.302   1.390  -3.837
   83    H    LEU  12           H        LEU  12  -5.966  -3.677  -0.390
   84    HA   LEU  12           HA       LEU  12  -3.837  -2.053   0.481
   85   1HB   LEU  12          HB1       LEU  12  -5.159  -4.488   1.732
   86   2HB   LEU  12          HB2       LEU  12  -3.956  -3.517   2.582
   87    HG   LEU  12           HG       LEU  12  -6.532  -2.324   1.470
   88   1HD1  LEU  12          HD1       LEU  12  -7.061  -4.064   3.137
   89   2HD1  LEU  12          HD1       LEU  12  -7.366  -2.448   3.801
   90   3HD1  LEU  12          HD1       LEU  12  -5.906  -3.340   4.278
   91   1HD2  LEU  12          HD2       LEU  12  -6.035  -0.531   3.126
   92   2HD2  LEU  12          HD2       LEU  12  -4.784  -0.640   1.888
   93   3HD2  LEU  12          HD2       LEU  12  -4.491  -1.317   3.505
   94    H    SER  13           H        SER  13  -3.839  -5.585  -0.160
   95    HA   SER  13           HA       SER  13  -1.173  -6.115   0.548
   96   1HB   SER  13          HB1       SER  13  -2.883  -7.815   0.003
   97   2HB   SER  13          HB2       SER  13  -2.780  -7.380  -1.713
   98    HG   SER  13           HG       SER  13  -1.443  -9.186  -1.085
   99    H    GLN  14           H        GLN  14  -2.456  -5.167  -2.694
  100    HA   GLN  14           HA       GLN  14   0.075  -4.921  -3.988
  101   1HB   GLN  14          HB1       GLN  14  -2.645  -3.633  -4.411
  102   2HB   GLN  14          HB2       GLN  14  -1.272  -3.172  -5.406
  103   1HG   GLN  14          HG1       GLN  14  -2.206  -6.053  -5.054
  104   2HG   GLN  14          HG2       GLN  14  -2.763  -4.992  -6.355
  105   1HE2  GLN  14          HE2       GLN  14   0.192  -7.083  -7.516
  106   2HE2  GLN  14          HE2       GLN  14  -1.288  -7.508  -6.683
  107    H    GLU  15           H        GLU  15  -1.905  -2.406  -2.403
  108    HA   GLU  15           HA       GLU  15  -0.249  -0.258  -2.857
  109   1HB   GLU  15          HB1       GLU  15  -2.640  -0.741  -1.408
  110   2HB   GLU  15          HB2       GLU  15  -1.560  -0.102  -0.199
  111   1HG   GLU  15          HG1       GLU  15  -1.931   1.972  -0.957
  112   2HG   GLU  15          HG2       GLU  15  -1.345   1.575  -2.570
  113    H    LEU  16           H        LEU  16  -0.285  -2.282   0.138
  114    HA   LEU  16           HA       LEU  16   1.930  -0.887   1.265
  115   1HB   LEU  16          HB1       LEU  16   1.938  -2.436   3.026
  116   2HB   LEU  16          HB2       LEU  16   0.279  -2.078   2.571
  117    HG   LEU  16           HG       LEU  16   0.532  -4.340   1.155
  118   1HD1  LEU  16          HD1       LEU  16   2.935  -4.748   1.771
  119   2HD1  LEU  16          HD1       LEU  16   1.871  -6.010   2.392
  120   3HD1  LEU  16          HD1       LEU  16   2.477  -4.747   3.479
  121   1HD2  LEU  16          HD2       LEU  16   0.110  -4.237   4.168
  122   2HD2  LEU  16          HD2       LEU  16  -0.420  -5.545   3.088
  123   3HD2  LEU  16          HD2       LEU  16  -1.125  -3.929   2.930
  124    H    HIS  17           H        HIS  17   1.741  -3.885  -0.727
  125    HA   HIS  17           HA       HIS  17   4.496  -4.511  -0.465
  126   1HB   HIS  17          HB1       HIS  17   2.713  -6.016  -1.330
  127   2HB   HIS  17          HB2       HIS  17   2.744  -5.130  -2.860
  128    HD1  HIS  17           HD1      HIS  17   6.141  -4.985  -2.684
  129    HD2  HIS  17           HD2      HIS  17   3.532  -8.301  -2.428
  130    HE1  HIS  17           HE1      HIS  17   7.531  -7.065  -3.294
  131    H    LYS  18           H        LYS  18   2.788  -2.286  -2.674
  132    HA   LYS  18           HA       LYS  18   5.161  -1.542  -4.198
  133   1HB   LYS  18          HB1       LYS  18   2.348  -0.529  -3.864
  134   2HB   LYS  18          HB2       LYS  18   3.567   0.624  -4.381
  135   1HG   LYS  18          HG1       LYS  18   2.402  -0.424  -6.267
  136   2HG   LYS  18          HG2       LYS  18   4.152  -0.656  -6.309
  137   1HD   LYS  18          HD1       LYS  18   3.946  -2.956  -5.498
  138   2HD   LYS  18          HD2       LYS  18   2.199  -2.797  -5.333
  139   1HE   LYS  18          HE1       LYS  18   3.658  -2.408  -7.989
  140   2HE   LYS  18          HE2       LYS  18   3.125  -3.996  -7.420
  141   1HZ   LYS  18          HZ1       LYS  18   1.279  -1.736  -7.777
  142   2HZ   LYS  18          HZ2       LYS  18   0.910  -3.308  -7.410
  143   3HZ   LYS  18          HZ3       LYS  18   1.528  -2.936  -8.880
  144    H    LEU  19           H        LEU  19   3.392   0.143  -1.561
  145    HA   LEU  19           HA       LEU  19   5.053   2.234  -1.139
  146   1HB   LEU  19          HB1       LEU  19   2.900   1.861  -0.005
  147   2HB   LEU  19          HB2       LEU  19   3.637   0.592   0.982
  148    HG   LEU  19           HG       LEU  19   5.129   2.255   2.052
  149   1HD1  LEU  19          HD1       LEU  19   3.581   4.274   0.362
  150   2HD1  LEU  19          HD1       LEU  19   5.331   3.960   0.296
  151   3HD1  LEU  19          HD1       LEU  19   4.622   4.687   1.740
  152   1HD2  LEU  19          HD2       LEU  19   2.173   2.984   2.124
  153   2HD2  LEU  19          HD2       LEU  19   3.378   3.362   3.373
  154   3HD2  LEU  19          HD2       LEU  19   2.947   1.675   3.044
  155    H    GLN  20           H        GLN  20   5.479  -0.975   0.493
  156    HA   GLN  20           HA       GLN  20   7.774  -0.142   1.945
  157   1HB   GLN  20          HB1       GLN  20   8.071  -2.427   2.546
  158   2HB   GLN  20          HB2       GLN  20   6.335  -2.085   2.485
  159   1HG   GLN  20          HG1       GLN  20   6.356  -3.064   0.128
  160   2HG   GLN  20          HG2       GLN  20   8.023  -3.572   0.428
  161   1HE2  GLN  20          HE2       GLN  20   6.851  -6.587   1.816
  162   2HE2  GLN  20          HE2       GLN  20   8.042  -5.768   0.820
  163    H    THR  21           H        THR  21   7.517  -0.971  -1.415
  164    HA   THR  21           HA       THR  21  10.474  -1.335  -1.669
  165    HB   THR  21           HB       THR  21  10.032  -2.071  -3.939
  166    HG1  THR  21           HG1      THR  21   7.351  -1.522  -3.256
  167   1HG2  THR  21          HG2       THR  21   9.053  -4.235  -3.413
  168   2HG2  THR  21          HG2       THR  21   8.346  -3.601  -1.915
  169   3HG2  THR  21          HG2       THR  21  10.111  -3.721  -2.084
  170    H    TYR  22           H        TYR  22   7.874   0.948  -2.230
  171    HA   TYR  22           HA       TYR  22   9.139   2.583  -4.180
  172   1HB   TYR  22          HB1       TYR  22   7.153   3.134  -1.938
  173   2HB   TYR  22          HB2       TYR  22   7.729   4.417  -2.960
  174    HD1  TYR  22           HD1      TYR  22   5.245   4.739  -3.248
  175    HD2  TYR  22           HD2      TYR  22   7.353   1.346  -4.900
  176    HE1  TYR  22           HE1      TYR  22   3.502   4.487  -4.981
  177    HE2  TYR  22           HE2      TYR  22   5.669   1.171  -6.675
  178    HH   TYR  22           HH       TYR  22   2.838   3.337  -6.868
  179    HA   PRO  23           HA       PRO  23  12.423   4.514  -1.965
  180   1HB   PRO  23          HB1       PRO  23  12.518   7.054  -3.032
  181   2HB   PRO  23          HB2       PRO  23  12.938   5.590  -3.962
  182   1HG   PRO  23          HG1       PRO  23  10.257   7.012  -3.893
  183   2HG   PRO  23          HG2       PRO  23  11.223   6.578  -5.338
  184   1HD   PRO  23          HD1       PRO  23   9.228   4.986  -4.499
  185   2HD   PRO  23          HD2       PRO  23  10.763   4.253  -5.035
  186    H    ARG  24           H        ARG  24  12.875   6.691  -0.783
  187    HA   ARG  24           HA       ARG  24  11.304   6.921   1.502
  188   1HB   ARG  24          HB1       ARG  24  12.679   8.941   1.955
  189   2HB   ARG  24          HB2       ARG  24  13.619   7.528   1.485
  190   1HG   ARG  24          HG1       ARG  24  14.555   8.623  -0.243
  191   2HG   ARG  24          HG2       ARG  24  12.978   8.996  -0.928
  192   1HD   ARG  24          HD1       ARG  24  12.883  10.941   0.835
  193   2HD   ARG  24          HD2       ARG  24  14.599  10.623   1.048
  194    HE   ARG  24           HE       ARG  24  15.047  11.590  -0.985
  195   1HH1  ARG  24          HH1       ARG  24  12.893  12.892  -3.448
  196   2HH1  ARG  24          HH1       ARG  24  14.530  12.788  -2.891
  197   1HH2  ARG  24          HH2       ARG  24  11.563  10.869  -0.837
  198   2HH2  ARG  24          HH2       ARG  24  11.161  11.827  -2.224
  199    H    THR  25           H        THR  25   9.190   7.053   0.530
  200    HA   THR  25           HA       THR  25   8.219   9.253  -0.910
  201    HB   THR  25           HB       THR  25   6.751   7.230   0.838
  202    HG1  THR  25           HG1      THR  25   8.118   6.452  -0.943
  203   1HG2  THR  25          HG2       THR  25   5.720   8.997  -1.425
  204   2HG2  THR  25          HG2       THR  25   5.245   9.110   0.286
  205   3HG2  THR  25          HG2       THR  25   4.829   7.669  -0.657
  206    H    ASN  26           H        ASN  26   7.755   8.553   2.605
  207    HA   ASN  26           HA       ASN  26   8.228  11.327   3.240
  208   1HB   ASN  26          HB1       ASN  26   5.799  11.411   2.605
  209   2HB   ASN  26          HB2       ASN  26   5.445  10.294   3.928
  210   1HD2  ASN  26          HD2       ASN  26   6.206  12.770   6.493
  211   2HD2  ASN  26          HD2       ASN  26   6.154  11.036   6.139
  212    H    THR  27           H        THR  27   9.880   9.544   3.893
  213    HA   THR  27           HA       THR  27   9.362   7.902   6.105
  214    HB   THR  27           HB       THR  27  12.071   9.040   5.315
  215    HG1  THR  27           HG1      THR  27  11.958   7.276   3.750
  216   1HG2  THR  27          HG2       THR  27  12.816   6.745   5.822
  217   2HG2  THR  27          HG2       THR  27  11.147   6.253   6.175
  218   3HG2  THR  27          HG2       THR  27  11.974   7.427   7.223
  219    H    GLY  28           H        GLY  28   8.185   9.427   7.529
  220   1HA   GLY  28          HA1       GLY  28   8.277  10.188   9.739
  221   2HA   GLY  28          HA2       GLY  28  10.037  10.326   9.644
  222    H    SER  29           H        SER  29  10.364  12.007   7.473
  223    HA   SER  29           HA       SER  29  10.490  14.210   6.910
  224   1HB   SER  29          HB1       SER  29   8.294  15.436   6.694
  225   2HB   SER  29          HB2       SER  29   8.403  13.891   5.842
  226    HG   SER  29           HG       SER  29   7.374  13.894   8.445
  227    H    GLY  30           H        GLY  30  11.713  14.091   9.125
  228   1HA   GLY  30          HA1       GLY  30  11.142  16.657  10.385
  229   2HA   GLY  30          HA2       GLY  30  10.966  15.277  11.484
  230    H    THR  31           H        THR  31  12.865  14.213  12.223
  231    HA   THR  31           HA       THR  31  15.443  14.642  11.024
  232    HB   THR  31           HB       THR  31  15.302  16.793  12.121
  233    HG1  THR  31           HG1      THR  31  16.740  15.168  13.947
  234   1HG2  THR  31          HG2       THR  31  14.477  15.355  14.685
  235   2HG2  THR  31          HG2       THR  31  13.448  16.421  13.703
  236   3HG2  THR  31          HG2       THR  31  14.867  17.076  14.528
  237    HA   PRO  32           HA       PRO  32  15.912  10.984  13.783
  238   1HB   PRO  32          HB1       PRO  32  18.628  10.885  14.048
  239   2HB   PRO  32          HB2       PRO  32  17.808  10.385  12.540
  240   1HG   PRO  32          HG1       PRO  32  19.057  13.085  13.143
  241   2HG   PRO  32          HG2       PRO  32  19.339  12.050  11.712
  242   1HD   PRO  32          HD1       PRO  32  17.574  14.093  11.643
  243   2HD   PRO  32          HD2       PRO  32  17.187  12.558  10.828
  244   1HN   NH2  33          H1        NH2  35  16.881  12.171  17.050
  245   2HN   NH2  33          H2        NH2  35  16.725  10.742  16.096
  Start of MODEL   10
    1   1HN   CSU   1          H1        CYS   1 -17.842 -10.202  -7.711
    2   2HN   CSU   1          H2        CYS   1 -19.260  -9.424  -8.369
    3    HA   CSU   1           HA       CYS   1 -16.411  -8.763  -9.053
    4   1HB   CSU   1          HB1       CYS   1 -19.084  -7.675 -10.026
    5   2HB   CSU   1          HB2       CYS   1 -17.610  -6.682 -10.042
    6    HD2  CSU   1           H3       SO3  33 -18.203  -8.669 -14.324
    7    HXT  CSU   1           H3       CYS   1 -18.212 -10.349  -9.403
    8    H    SER   2           H        SER   2 -19.390  -7.867  -7.343
    9    HA   SER   2           HA       SER   2 -18.172  -5.635  -5.907
   10   1HB   SER   2          HB1       SER   2 -20.584  -5.709  -6.507
   11   2HB   SER   2          HB2       SER   2 -20.800  -7.091  -5.411
   12    HG   SER   2           HG       SER   2 -20.015  -5.716  -3.731
   13    H    ASN   3           H        ASN   3 -16.631  -8.039  -5.553
   14    HA   ASN   3           HA       ASN   3 -17.388  -9.249  -2.963
   15   1HB   ASN   3          HB1       ASN   3 -15.121  -9.816  -4.909
   16   2HB   ASN   3          HB2       ASN   3 -15.484 -10.752  -3.445
   17   1HD2  ASN   3          HD2       ASN   3 -18.317 -12.411  -4.876
   18   2HD2  ASN   3          HD2       ASN   3 -17.526 -11.996  -3.369
   19    H    LEU   4           H        LEU   4 -17.199  -7.015  -2.100
   20    HA   LEU   4           HA       LEU   4 -15.047  -5.432  -2.065
   21   1HB   LEU   4          HB1       LEU   4 -17.425  -5.593  -0.550
   22   2HB   LEU   4          HB2       LEU   4 -16.159  -5.511   0.663
   23    HG   LEU   4           HG       LEU   4 -16.975  -3.318   0.177
   24   1HD1  LEU   4          HD1       LEU   4 -14.952  -2.113  -0.359
   25   2HD1  LEU   4          HD1       LEU   4 -14.225  -3.532  -1.125
   26   3HD1  LEU   4          HD1       LEU   4 -14.538  -3.529   0.624
   27   1HD2  LEU   4          HD2       LEU   4 -16.917  -2.248  -1.993
   28   2HD2  LEU   4          HD2       LEU   4 -17.864  -3.741  -2.094
   29   3HD2  LEU   4          HD2       LEU   4 -16.218  -3.684  -2.755
   30    H    SER   5           H        SER   5 -15.354  -8.220   0.118
   31    HA   SER   5           HA       SER   5 -12.999  -7.882   1.629
   32   1HB   SER   5          HB1       SER   5 -14.722  -9.570   2.121
   33   2HB   SER   5          HB2       SER   5 -14.259 -10.482   0.670
   34    HG   SER   5           HG       SER   5 -12.590  -9.907   2.902
   35    H    THR   6           H        THR   6 -13.441  -9.529  -1.535
   36    HA   THR   6           HA       THR   6 -10.676 -10.299  -1.887
   37    HB   THR   6           HB       THR   6 -13.151 -10.158  -3.603
   38    HG1  THR   6           HG1      THR   6 -12.372 -11.928  -2.186
   39   1HG2  THR   6          HG2       THR   6 -11.583  -9.311  -5.194
   40   2HG2  THR   6          HG2       THR   6 -11.881 -11.020  -5.534
   41   3HG2  THR   6          HG2       THR   6 -10.367 -10.537  -4.735
   42   1HN   CSU   7          H         CYS   7 -12.653  -7.485  -2.947
   43    HA   CSU   7           HA       CYS   7 -10.614  -6.208  -4.434
   44   1HB   CSU   7          HB1       CYS   7 -12.919  -5.428  -4.529
   45   2HB   CSU   7          HB2       CYS   7 -12.854  -4.923  -2.823
   46    HD2  CSU   7           H3       SO3  34 -12.237  -1.122  -5.634
   47    H    VAL   8           H        VAL   8 -11.458  -5.656  -0.950
   48    HA   VAL   8           HA       VAL   8  -9.311  -3.840  -0.616
   49    HB   VAL   8           HB       VAL   8 -11.341  -3.902   0.793
   50   1HG1  VAL   8          HG1       VAL   8 -11.407  -6.299   1.364
   51   2HG1  VAL   8          HG1       VAL   8 -11.391  -5.282   2.805
   52   3HG1  VAL   8          HG1       VAL   8  -9.916  -6.136   2.315
   53   1HG2  VAL   8          HG2       VAL   8 -10.182  -3.125   2.804
   54   2HG2  VAL   8          HG2       VAL   8  -9.359  -2.543   1.348
   55   3HG2  VAL   8          HG2       VAL   8  -8.679  -3.900   2.271
   56    H    LEU   9           H        LEU   9  -9.481  -7.400  -0.056
   57    HA   LEU   9           HA       LEU   9  -6.860  -7.654   1.048
   58   1HB   LEU   9          HB1       LEU   9  -8.563  -9.510  -0.647
   59   2HB   LEU   9          HB2       LEU   9  -6.990  -9.994  -0.015
   60    HG   LEU   9           HG       LEU   9  -9.209  -8.999   1.818
   61   1HD1  LEU   9          HD1       LEU   9  -9.710 -11.375   2.265
   62   2HD1  LEU   9          HD1       LEU   9  -8.553 -11.865   1.007
   63   3HD1  LEU   9          HD1       LEU   9 -10.025 -10.972   0.571
   64   1HD2  LEU   9          HD2       LEU   9  -6.945  -8.984   2.820
   65   2HD2  LEU   9          HD2       LEU   9  -6.697 -10.666   2.305
   66   3HD2  LEU   9          HD2       LEU   9  -7.927 -10.273   3.521
   67    H    GLY  10           H        GLY  10  -7.951  -7.711  -2.376
   68   1HA   GLY  10          HA1       GLY  10  -5.459  -8.104  -3.625
   69   2HA   GLY  10          HA2       GLY  10  -6.832  -7.211  -4.309
   70    H    LYS  11           H        LYS  11  -7.148  -5.023  -2.894
   71    HA   LYS  11           HA       LYS  11  -5.146  -3.184  -3.572
   72   1HB   LYS  11          HB1       LYS  11  -7.168  -2.224  -3.057
   73   2HB   LYS  11          HB2       LYS  11  -7.410  -3.191  -1.602
   74   1HG   LYS  11          HG1       LYS  11  -5.943  -1.883  -0.292
   75   2HG   LYS  11          HG2       LYS  11  -5.268  -1.038  -1.702
   76   1HD   LYS  11          HD1       LYS  11  -7.141   0.309  -1.976
   77   2HD   LYS  11          HD2       LYS  11  -8.241  -0.866  -1.253
   78   1HE   LYS  11          HE1       LYS  11  -7.951   1.170   0.133
   79   2HE   LYS  11          HE2       LYS  11  -7.583  -0.339   0.980
   80   1HZ   LYS  11          HZ1       LYS  11  -5.963   1.478   1.371
   81   2HZ   LYS  11          HZ2       LYS  11  -5.414   1.353  -0.172
   82   3HZ   LYS  11          HZ3       LYS  11  -5.248   0.130   0.803
   83    H    LEU  12           H        LEU  12  -5.684  -4.554  -0.262
   84    HA   LEU  12           HA       LEU  12  -3.430  -3.376   0.902
   85   1HB   LEU  12          HB1       LEU  12  -4.858  -5.988   1.504
   86   2HB   LEU  12          HB2       LEU  12  -3.574  -5.353   2.534
   87    HG   LEU  12           HG       LEU  12  -6.066  -3.725   1.884
   88   1HD1  LEU  12          HD1       LEU  12  -6.746  -5.826   2.979
   89   2HD1  LEU  12          HD1       LEU  12  -6.918  -4.457   4.089
   90   3HD1  LEU  12          HD1       LEU  12  -5.540  -5.565   4.257
   91   1HD2  LEU  12          HD2       LEU  12  -3.975  -3.519   4.097
   92   2HD2  LEU  12          HD2       LEU  12  -5.437  -2.524   3.958
   93   3HD2  LEU  12          HD2       LEU  12  -4.167  -2.391   2.740
   94    H    SER  13           H        SER  13  -3.637  -6.588  -0.697
   95    HA   SER  13           HA       SER  13  -0.982  -7.392  -0.227
   96   1HB   SER  13          HB1       SER  13  -2.802  -8.811  -1.184
   97   2HB   SER  13          HB2       SER  13  -2.664  -7.938  -2.716
   98    HG   SER  13           HG       SER  13  -0.647  -9.483  -1.436
   99    H    GLN  14           H        GLN  14  -2.251  -5.678  -3.151
  100    HA   GLN  14           HA       GLN  14   0.331  -5.399  -4.369
  101   1HB   GLN  14          HB1       GLN  14  -2.257  -3.830  -4.747
  102   2HB   GLN  14          HB2       GLN  14  -0.829  -3.694  -5.790
  103   1HG   GLN  14          HG1       GLN  14  -0.976  -6.102  -6.330
  104   2HG   GLN  14          HG2       GLN  14  -2.429  -6.254  -5.332
  105   1HE2  GLN  14          HE2       GLN  14  -3.044  -5.375  -9.101
  106   2HE2  GLN  14          HE2       GLN  14  -1.712  -6.313  -8.450
  107    H    GLU  15           H        GLU  15  -1.657  -3.137  -2.528
  108    HA   GLU  15           HA       GLU  15  -0.094  -0.825  -2.627
  109   1HB   GLU  15          HB1       GLU  15  -2.469  -1.076  -1.984
  110   2HB   GLU  15          HB2       GLU  15  -1.986  -1.840  -0.462
  111   1HG   GLU  15          HG1       GLU  15  -0.999   0.281   0.285
  112   2HG   GLU  15          HG2       GLU  15  -1.376   1.024  -1.289
  113    H    LEU  16           H        LEU  16  -0.233  -3.298   0.031
  114    HA   LEU  16           HA       LEU  16   1.902  -2.095   1.514
  115   1HB   LEU  16          HB1       LEU  16   0.846  -4.941   1.545
  116   2HB   LEU  16          HB2       LEU  16   1.978  -4.276   2.721
  117    HG   LEU  16           HG       LEU  16  -0.817  -3.122   2.269
  118   1HD1  LEU  16          HD1       LEU  16  -1.431  -4.290   4.343
  119   2HD1  LEU  16          HD1       LEU  16   0.182  -5.032   4.422
  120   3HD1  LEU  16          HD1       LEU  16  -0.928  -5.448   3.099
  121   1HD2  LEU  16          HD2       LEU  16   0.692  -1.475   3.267
  122   2HD2  LEU  16          HD2       LEU  16   1.261  -2.670   4.454
  123   3HD2  LEU  16          HD2       LEU  16  -0.414  -2.085   4.497
  124    H    HIS  17           H        HIS  17   1.848  -4.767  -0.925
  125    HA   HIS  17           HA       HIS  17   4.589  -5.376  -0.704
  126   1HB   HIS  17          HB1       HIS  17   3.049  -6.791  -1.942
  127   2HB   HIS  17          HB2       HIS  17   2.818  -5.525  -3.156
  128    HD1  HIS  17           HD1      HIS  17   6.137  -6.934  -1.645
  129    HD2  HIS  17           HD2      HIS  17   4.158  -6.150  -5.299
  130    HE1  HIS  17           HE1      HIS  17   7.820  -7.435  -3.511
  131    H    LYS  18           H        LYS  18   2.937  -2.883  -2.656
  132    HA   LYS  18           HA       LYS  18   5.267  -1.896  -3.988
  133   1HB   LYS  18          HB1       LYS  18   2.965  -1.586  -4.747
  134   2HB   LYS  18          HB2       LYS  18   2.601  -0.566  -3.348
  135   1HG   LYS  18          HG1       LYS  18   4.147   1.132  -4.105
  136   2HG   LYS  18          HG2       LYS  18   4.742   0.084  -5.412
  137   1HD   LYS  18          HD1       LYS  18   2.557   0.029  -6.485
  138   2HD   LYS  18          HD2       LYS  18   1.811   0.955  -5.182
  139   1HE   LYS  18          HE1       LYS  18   4.072   1.990  -6.965
  140   2HE   LYS  18          HE2       LYS  18   2.363   2.260  -7.314
  141   1HZ   LYS  18          HZ1       LYS  18   3.582   4.061  -6.060
  142   2HZ   LYS  18          HZ2       LYS  18   3.549   3.081  -4.762
  143   3HZ   LYS  18          HZ3       LYS  18   2.128   3.579  -5.426
  144    H    LEU  19           H        LEU  19   3.573  -0.945  -0.971
  145    HA   LEU  19           HA       LEU  19   5.110   1.291  -0.317
  146   1HB   LEU  19          HB1       LEU  19   3.014   0.701   0.806
  147   2HB   LEU  19          HB2       LEU  19   3.771  -0.730   1.513
  148    HG   LEU  19           HG       LEU  19   5.301   0.681   2.838
  149   1HD1  LEU  19          HD1       LEU  19   5.484   2.688   1.434
  150   2HD1  LEU  19          HD1       LEU  19   4.827   3.130   3.012
  151   3HD1  LEU  19          HD1       LEU  19   3.742   3.005   1.612
  152   1HD2  LEU  19          HD2       LEU  19   2.359   1.409   3.127
  153   2HD2  LEU  19          HD2       LEU  19   3.600   1.530   4.393
  154   3HD2  LEU  19          HD2       LEU  19   3.138  -0.058   3.757
  155    H    GLN  20           H        GLN  20   5.636  -2.135   0.777
  156    HA   GLN  20           HA       GLN  20   7.972  -1.524   2.244
  157   1HB   GLN  20          HB1       GLN  20   8.562  -3.881   2.153
  158   2HB   GLN  20          HB2       GLN  20   6.848  -3.627   2.544
  159   1HG   GLN  20          HG1       GLN  20   6.223  -4.126   0.253
  160   2HG   GLN  20          HG2       GLN  20   7.911  -4.357  -0.229
  161   1HE2  GLN  20          HE2       GLN  20   7.173  -7.332   2.366
  162   2HE2  GLN  20          HE2       GLN  20   7.491  -5.689   2.884
  163    H    THR  21           H        THR  21   7.672  -2.053  -1.288
  164    HA   THR  21           HA       THR  21  10.575  -2.031  -1.646
  165    HB   THR  21           HB       THR  21   9.878  -1.852  -4.090
  166    HG1  THR  21           HG1      THR  21   7.613  -1.132  -3.262
  167   1HG2  THR  21          HG2       THR  21  10.450  -4.009  -2.994
  168   2HG2  THR  21          HG2       THR  21   9.160  -4.191  -4.201
  169   3HG2  THR  21          HG2       THR  21   8.757  -4.182  -2.473
  170    H    TYR  22           H        TYR  22   8.301   0.513  -1.047
  171    HA   TYR  22           HA       TYR  22   9.424   2.354  -2.960
  172   1HB   TYR  22          HB1       TYR  22   7.227   2.354  -1.043
  173   2HB   TYR  22          HB2       TYR  22   8.173   3.811  -0.849
  174    HD1  TYR  22           HD1      TYR  22   7.195   1.755  -3.867
  175    HD2  TYR  22           HD2      TYR  22   7.015   5.575  -1.871
  176    HE1  TYR  22           HE1      TYR  22   6.045   2.728  -5.823
  177    HE2  TYR  22           HE2      TYR  22   5.791   6.524  -3.792
  178    HH   TYR  22           HH       TYR  22   5.002   6.105  -5.973
  179    HA   PRO  23           HA       PRO  23  12.934   3.826  -0.682
  180   1HB   PRO  23          HB1       PRO  23  13.141   6.433  -1.479
  181   2HB   PRO  23          HB2       PRO  23  13.472   5.052  -2.561
  182   1HG   PRO  23          HG1       PRO  23  10.895   6.629  -2.345
  183   2HG   PRO  23          HG2       PRO  23  11.805   6.216  -3.828
  184   1HD   PRO  23          HD1       PRO  23   9.686   4.746  -3.001
  185   2HD   PRO  23          HD2       PRO  23  11.116   3.943  -3.708
  186    H    ARG  24           H        ARG  24  11.799   3.464   1.289
  187    HA   ARG  24           HA       ARG  24  10.130   4.744   2.823
  188   1HB   ARG  24          HB1       ARG  24  12.082   2.967   3.346
  189   2HB   ARG  24          HB2       ARG  24  12.800   4.336   4.182
  190   1HG   ARG  24          HG1       ARG  24  10.085   3.043   4.654
  191   2HG   ARG  24          HG2       ARG  24  11.504   2.897   5.683
  192   1HD   ARG  24          HD1       ARG  24   9.830   5.400   5.226
  193   2HD   ARG  24          HD2       ARG  24   9.798   4.371   6.632
  194    HE   ARG  24           HE       ARG  24  12.260   4.944   6.961
  195   1HH1  ARG  24          HH1       ARG  24  12.152   8.300   8.144
  196   2HH1  ARG  24          HH1       ARG  24  12.839   6.727   8.415
  197   1HH2  ARG  24          HH2       ARG  24  10.345   7.369   5.294
  198   2HH2  ARG  24          HH2       ARG  24  10.498   8.588   6.532
  199    H    THR  25           H        THR  25  13.377   6.100   2.196
  200    HA   THR  25           HA       THR  25  13.483   8.175   4.081
  201    HB   THR  25           HB       THR  25  15.141   9.018   2.202
  202    HG1  THR  25           HG1      THR  25  15.584   7.354   0.709
  203   1HG2  THR  25          HG2       THR  25  16.776   7.263   2.822
  204   2HG2  THR  25          HG2       THR  25  15.467   6.256   3.473
  205   3HG2  THR  25          HG2       THR  25  15.864   7.813   4.238
  206    H    ASN  26           H        ASN  26  11.762   7.983   1.015
  207    HA   ASN  26           HA       ASN  26  11.760  10.479  -0.020
  208   1HB   ASN  26          HB1       ASN  26  10.587   8.629  -1.037
  209   2HB   ASN  26          HB2       ASN  26   9.407   8.589   0.287
  210   1HD2  ASN  26          HD2       ASN  26   7.395  10.473  -1.978
  211   2HD2  ASN  26          HD2       ASN  26   7.669   8.886  -1.277
  212    H    THR  27           H        THR  27  11.819  12.252   1.239
  213    HA   THR  27           HA       THR  27  11.089  14.096   2.143
  214    HB   THR  27           HB       THR  27   8.989  13.369   0.599
  215    HG1  THR  27           HG1      THR  27   9.828  15.413   0.797
  216   1HG2  THR  27          HG2       THR  27   7.697  14.010   3.287
  217   2HG2  THR  27          HG2       THR  27   7.558  12.455   2.427
  218   3HG2  THR  27          HG2       THR  27   6.904  13.928   1.712
  219    H    GLY  28           H        GLY  28   9.128  11.483   3.650
  220   1HA   GLY  28          HA1       GLY  28   9.075  12.844   6.235
  221   2HA   GLY  28          HA2       GLY  28   8.479  11.223   5.842
  222    H    SER  29           H        SER  29  11.688  12.896   5.867
  223    HA   SER  29           HA       SER  29  13.228  10.581   6.586
  224   1HB   SER  29          HB1       SER  29  14.886  12.433   7.241
  225   2HB   SER  29          HB2       SER  29  14.287  12.475   5.568
  226    HG   SER  29           HG       SER  29  14.103  14.541   6.434
  227    H    GLY  30           H        GLY  30  12.550  13.456   8.419
  228   1HA   GLY  30          HA1       GLY  30  11.187  12.600  10.714
  229   2HA   GLY  30          HA2       GLY  30  12.919  12.381  11.059
  230    H    THR  31           H        THR  31  10.493  14.796   9.910
  231    HA   THR  31           HA       THR  31  11.972  17.001  11.114
  232    HB   THR  31           HB       THR  31  13.139  16.721   8.983
  233    HG1  THR  31           HG1      THR  31  12.707  18.777   8.129
  234   1HG2  THR  31          HG2       THR  31  12.027  16.926   6.811
  235   2HG2  THR  31          HG2       THR  31  10.440  17.044   7.587
  236   3HG2  THR  31          HG2       THR  31  11.367  15.532   7.671
  237    HA   PRO  32           HA       PRO  32   7.669  18.160  11.476
  238   1HB   PRO  32          HB1       PRO  32   7.778  20.877  11.861
  239   2HB   PRO  32          HB2       PRO  32   8.315  19.694  13.082
  240   1HG   PRO  32          HG1       PRO  32  10.041  21.145  11.058
  241   2HG   PRO  32          HG2       PRO  32  10.298  21.023  12.824
  242   1HD   PRO  32          HD1       PRO  32  11.575  19.371  11.126
  243   2HD   PRO  32          HD2       PRO  32  10.914  18.724  12.651
  244   1HN   NH2  33          H1        NH2  35   7.077  18.583   7.983
  245   2HN   NH2  33          H2        NH2  35   7.345  17.406   9.216