*HEADER    ANTIMICROBIAL PROTEIN                   14-JUL-08   2K6O              
*TITLE     HUMAN LL-37 STRUCTURE                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CATHELICIDIN ANTIMICROBIAL PEPTIDE;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 134-170;                                          
*COMPND   5 SYNONYM: 18 KDA CATIONIC ANTIMICROBIAL PROTEIN, CAP-18,              
*COMPND   6 HCAP-18, ANTIBACTERIAL PROTEIN FALL-39, FALL-39 PEPTIDE              
*COMPND   7 ANTIBIOTIC, ANTIBACTERIAL PROTEIN LL-37;                             
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: CAMP, CAP18, FALL39, HSD26;                                    
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR: PLASMID                                    
*KEYWDS    HUMAN HOST DEFENSE PEPTIDE, HUMAN CATHELICIDIN,                       
*KEYWDS   2 ANTIMICROBIAL PEPTIDE, LL-37, BACTERIAL MEMBRANE TARGETING,          
*KEYWDS   3 ANTIBIOTIC, ANTIMICROBIAL, CLEAVAGE ON PAIR OF BASIC                 
*KEYWDS   4 RESIDUES, PYRROLIDONE CARBOXYLIC ACID, SECRETED,                     
*KEYWDS   5 ANTIMICROBIAL PROTEIN                                                
*EXPDTA    NMR, 4 STRUCTURES                                                     
*AUTHOR    G.WANG                                                                
*REVDAT   1   23-SEP-08 2K6O    0                                                


!NOE restraints
! 1
assign (resid   1 and name   HN ) (resid   2 and name   HN )  2.5  0.7  0.4 ! A.10   at 1.53e+05
assign (resid   1 and name   HA ) (resid   2 and name   HN )  2.5  0.7  0.4 ! A.9    at 2.25e+05

! 2
assign (resid   2 and name  HD* ) (resid   2 and name   HN )  3.0  1.2  2.5 ! A.1    at 1.03e+05
assign (resid   2 and name  HB1 ) (resid   2 and name   HN )  2.5  0.7  0.4 ! A.7    at 2.79e+05
assign (resid   2 and name  HB2 ) (resid   2 and name   HN )  2.5  0.7  0.4 ! A.2    at 3.09e+05
assign (resid   2 and name  HD* ) (resid   3 and name   HN )  4.0  2.2  3.0 ! A.18   at 3.60e+04
assign (resid   2 and name  HB2 ) (resid   3 and name   HN )  3.0  1.2  0.8 ! A.16   at 7.56e+04
assign (resid   2 and name  HB1 ) (resid   3 and name   HN )  3.0  1.2  0.8 ! A.17   at 7.97e+04
assign (resid   2 and name   HA ) (resid   3 and name   HN )  2.5  0.7  0.9 ! A.13   at 1.12e+05
assign (resid   2 and name   HN ) (resid   3 and name   HN )  2.5  0.7  0.4 ! A.11   at 1.89e+05
assign (resid   2 and name   HA ) (resid   4 and name   HN )  3.0  1.2  1.0 ! A.268  at 5.24e+04
assign (resid   2 and name   HA ) (resid   5 and name   HN )  3.0  1.2  0.8 ! 4D

! 3
assign (resid   3 and name  HA2 ) (resid   4 and name   HN )  3.0  1.2  0.8 ! A.266  at 1.07e+05
assign (resid   3 and name  HA1 ) (resid   4 and name   HN )  2.5  0.7  0.9 ! A.267  at 1.23e+05

! 4
assign (resid   4 and name  HB2 ) (resid   4 and name   HN )  2.5  0.7  0.4 ! A.19   at 1.62e+05
assign (resid   4 and name  HB1 ) (resid   4 and name   HN )  2.5  0.7  0.4 ! A.20   at 2.01e+05
assign (resid   4 and name   HA ) (resid   5 and name   HN )  3.0  1.2  0.8 ! A.25   at 5.74e+04
assign (resid   4 and name  HB1 ) (resid   5 and name   HN )  3.0  1.2  0.8 ! A.29   at 8.61e+04
assign (resid   4 and name  HB2 ) (resid   5 and name   HN )  3.0  1.2  0.8 ! A.30   at 9.06e+04
assign (resid   4 and name   HN ) (resid   5 and name   HN )  2.5  0.7  0.4 ! A.34   at 1.54e+05
assign (resid   4 and name   HA ) (resid   7 and name   HN )  4.0  2.2  1.0 ! A.276  at 3.37e+04

! 5
assign (resid   5 and name  HD# ) (resid   5 and name   HN )  3.0  1.2  1.5 ! A.31   at 4.65e+04
assign (resid   5 and name  HB1 ) (resid   5 and name   HN )  2.5  0.7  0.9 ! A.26   at 1.87e+05
assign (resid   5 and name  HB2 ) (resid   5 and name   HN )  2.5  0.7  0.9 ! A.27   at 1.99e+05
assign (resid   5 and name  HD# ) (resid   6 and name   HN )  3.0  1.2  2.0 ! A.40   at 5.29e+04
assign (resid   5 and name   HN ) (resid   6 and name  HB# )  3.0  1.2  2.0 ! A.28   at 5.46e+04
assign (resid   5 and name   HA ) (resid   6 and name   HN )  3.0  1.2  0.8 ! A.39   at 6.80e+04
assign (resid   5 and name  HB1 ) (resid   6 and name   HN )  3.0  1.2  0.8 ! A.37   at 9.06e+04
assign (resid   5 and name   HN ) (resid   6 and name   HN )  2.5  0.7  0.4 ! A.33   at 1.17e+05
assign (resid   5 and name  HB2 ) (resid   6 and name   HN )  2.5  0.7  0.9 ! A.36   at 1.22e+05
assign (resid   5 and name  HB1 ) (resid   7 and name   HN )  4.0  2.2  1.5 ! A.275  at 4.01e+04
assign (resid   5 and name   HA ) (resid   8 and name   HN )  4.0  2.2  1.0 ! A.53   at 3.85e+04

! 6
assign (resid   6 and name  HD# ) (resid   6 and name   HN )  3.0  1.2  2.0 ! A.41   at 5.72e+04
assign (resid   6 and name  HB# ) (resid   6 and name   HN )  2.5  0.7  1.9 ! A.35   at 3.09e+05
assign (resid   6 and name   HN ) (resid   7 and name  HB# )  4.0  2.2  2.0 ! A.44   at 3.75e+04
assign (resid   6 and name   HA ) (resid   7 and name   HN )  3.0  1.2  0.8 ! A.277  at 4.70e+04
assign (resid   6 and name   HN ) (resid   7 and name   HN )  3.0  1.2  0.8 ! A.273  at 1.02e+05
assign (resid   6 and name   HN ) (resid   8 and name   HN )  4.0  2.2  1.0 ! A.42   at 3.88e+04
assign (resid   6 and name   HA ) (resid   9 and name   HN )  4.0  2.2  1.0 ! A.62   at 3.92e+04

! 7
assign (resid   7 and name  HD# ) (resid   7 and name   HN )  3.0  1.2  1.3 ! A.46   at 1.40e+05
assign (resid   7 and name  HB# ) (resid   7 and name   HN )  2.5  0.7  1.9 ! A.47   at 2.84e+05
assign (resid   7 and name   HA ) (resid   8 and name   HN )  3.0  1.2  0.8 ! A.52   at 5.70e+04
assign (resid   7 and name   HN ) (resid   8 and name   HN )  3.0  1.2  0.8 ! A.272  at 7.61e+04
assign (resid   7 and name   HA ) (resid  10 and name   HN )  3.0  1.2  0.8 ! A.71   at 4.24e+04

! 8
assign (resid   8 and name  HD# ) (resid   8 and name   HN )  4.0  2.2  2.0 ! A.55   at 7.79e+04
assign (resid   8 and name  HG# ) (resid   8 and name   HN )  3.0  1.2  1.5 ! A.54   at 1.10e+05
assign (resid   8 and name  HB# ) (resid   8 and name   HN )  2.5  0.7  1.9 ! A.56   at 2.63e+05
assign (resid   8 and name  HG# ) (resid   9 and name   HN )  4.0  2.2  2.0 ! A.65   at 3.86e+04
assign (resid   8 and name  HD# ) (resid   9 and name   HN )  4.0  2.2  2.0 ! A.64   at 4.92e+04
assign (resid   8 and name   HA ) (resid   9 and name   HN )  3.0  1.2  0.8 ! A.60   at 7.89e+04
assign (resid   8 and name  HB# ) (resid   9 and name   HN )  3.0  1.2  2.0 ! A.63   at 9.21e+04
assign (resid   8 and name   HN ) (resid   9 and name   HN )  2.5  0.7  0.4 ! A.66   at 1.26e+05
assign (resid   8 and name   HA ) (resid  10 and name   HN )  4.0  2.2  1.0 ! A.72   at 3.27e+04
assign (resid   8 and name   HN ) (resid  10 and name   HN )  3.0  1.2  1.0 ! A.74   at 5.90e+04

! 9
assign (resid   9 and name  HB# ) (resid   9 and name   HN )  2.5  0.7  1.9 ! A.59   at 1.16e+05
assign (resid   9 and name   HA ) (resid  10 and name   HN )  3.0  1.2  0.8 ! A.70   at 5.94e+04
assign (resid   9 and name  HB# ) (resid  10 and name   HN )  3.0  1.2  2.0 ! A.300  at 7.42e+04
assign (resid   9 and name   HA ) (resid  12 and name   HN )  3.0  1.2  0.8 ! A.281  at 4.64e+04

! 10
assign (resid  10 and name  HG# ) (resid  10 and name   HN )  3.0  1.2  2.0 ! A.68   at 7.73e+04
assign (resid  10 and name  HB# ) (resid  10 and name   HN )  2.5  0.7  1.9 ! A.67   at 2.30e+05
assign (resid  10 and name  HG# ) (resid  11 and name   HN )  3.0  1.2  2.0 ! A.303  at 5.02e+04
assign (resid  10 and name   HA ) (resid  11 and name   HN )  3.0  1.2  0.8 ! A.284  at 6.65e+04
assign (resid  10 and name   HN ) (resid  11 and name   HN )  3.0  1.2  0.8 ! A.73   at 8.03e+04
assign (resid  10 and name  HB# ) (resid  11 and name   HN )  3.0  1.2  2.0 ! A.298  at 9.55e+04

! 11
assign (resid  11 and name  HG2 ) (resid  11 and name   HN )  4.0  2.2  1.0 ! A.302  at 3.79e+04
assign (resid  11 and name  HG1 ) (resid  11 and name   HN )  3.0  1.2  0.8 ! A.301  at 5.02e+04
assign (resid  11 and name  HB# ) (resid  11 and name   HN )  2.5  0.7  1.9 ! A.299  at 2.92e+05
assign (resid  11 and name  HB# ) (resid  12 and name   HN )  2.5  0.7  1.9 ! A.279  at 2.06e+05
assign (resid  11 and name   HA ) (resid  12 and name   HN )  2.5  0.7  0.9 ! A.6    at 2.48e+05
assign (resid  11 and name   HA ) (resid  13 and name   HN )  3.0  1.2  0.8 ! A.309  at 4.52e+04

! 12
assign (resid  12 and name  HD# ) (resid  12 and name   HN )  3.0  1.2  2.0 ! A.5    at 9.03e+04
assign (resid  12 and name  HG# ) (resid  12 and name   HN )  2.5  0.7  1.9 ! A.4    at 1.17e+05
assign (resid  12 and name  HB# ) (resid  12 and name   HN )  2.5  0.7  1.9 ! A.3    at 3.76e+05
assign (resid  12 and name   HN ) (resid  13 and name HG2# )  3.0  1.2  1.8 ! A.304  at 4.32e+04
assign (resid  12 and name   HA ) (resid  13 and name   HN )  3.0  1.2  0.8 ! A.308  at 4.76e+04
assign (resid  12 and name   HN ) (resid  13 and name   HN )  3.0  1.2  0.8 ! A.287  at 6.50e+04
assign (resid  12 and name   HA ) (resid  15 and name   HN )  4.0  2.2  1.0 ! A.90   at 3.06e+04

! 13
assign (resid  13 and name HD1# ) (resid  13 and name   HN )  3.0  1.2  2.3 ! A.307  at 4.20e+04
assign (resid  13 and name HG12 ) (resid  13 and name   HN )  3.0  1.2  0.8 ! A.305  at 5.47e+04
assign (resid  13 and name HG2# ) (resid  13 and name   HN )  3.0  1.2  2.0 ! A.306  at 6.07e+04
assign (resid  13 and name HG11 ) (resid  13 and name   HN )  3.0  1.2  0.8 ! A.76   at 9.20e+04
assign (resid  13 and name   HB ) (resid  13 and name   HN )  2.5  0.7  0.9 ! A.75   at 1.82e+05
assign (resid  13 and name HG11 ) (resid  14 and name   HN )  4.0  2.2  1.0 ! A.86   at 3.65e+04
assign (resid  13 and name   HN ) (resid  14 and name   HN )  3.0  1.2  0.8 ! A.286  at 6.04e+04
assign (resid  13 and name   HA ) (resid  14 and name   HN )  3.0  1.2  0.8 ! A.84   at 6.86e+04
assign (resid  13 and name   HB ) (resid  14 and name   HN )  3.0  1.2  0.8 ! A.85   at 8.33e+04
assign (resid  13 and name   HA ) (resid  16 and name   HN )  3.0  1.2  0.8 ! A.105  at 4.61e+04
assign (resid  13 and name   HG2#)(resid  16 and name   HN )  4.0  2.2  2.5 ! A.327  at 3.47e+04

! 14
assign (resid  14 and name  HA1 ) (resid  15 and name   HN )  3.0  1.2  0.8 ! A.89   at 6.73e+04
assign (resid  14 and name   HN ) (resid  15 and name   HN )  3.0  1.2  0.8 ! A.87   at 7.41e+04

! 15
assign (resid  15 and name  HD# ) (resid  15 and name   HN )  4.0  2.2  2.0 ! A.93   at 6.23e+04
assign (resid  15 and name  HG# ) (resid  15 and name   HN )  3.0  1.2  2.0 ! A.94   at 6.84e+04
assign (resid  15 and name  HB# ) (resid  15 and name   HN )  2.5  0.7  1.9 ! A.92   at 2.78e+05
assign (resid  15 and name  HD# ) (resid  16 and name   HN )  3.0  1.2  1.0 ! A.101  at 4.85e+04
assign (resid  15 and name   HA ) (resid  16 and name   HN )  3.0  1.2  0.8 ! A.106  at 8.96e+04
assign (resid  15 and name  HB# ) (resid  16 and name   HN )  2.5  0.7  1.9 ! A.100  at 1.55e+05
assign (resid  15 and name   HA ) (resid  18 and name   HN )  3.0  1.2  1.0 ! A.210  at 8.18e+04

! 16
assign (resid  16 and name  HG2 ) (resid  16 and name   HN )  3.0  1.2  0.8 ! A.98   at 7.64e+04
assign (resid  16 and name  HG1 ) (resid  16 and name   HN )  3.0  1.2  0.8 ! A.97   at 8.27e+04
assign (resid  16 and name  HB# ) (resid  16 and name   HN )  2.5  0.7  1.9 ! A.99   at 2.04e+05
assign (resid  16 and name   HN ) (resid  17 and name  HD# )  4.0  2.2  3.0 ! A.270  at 2.97e+04
assign (resid  16 and name   HN ) (resid  17 and name  HB# )  3.0  1.2  2.5 ! A.294  at 4.47e+04
assign (resid  16 and name  HB# ) (resid  17 and name   HN )  3.0  1.2  1.8 ! A.295  at 4.81e+04
assign (resid  16 and name   HN ) (resid  17 and name   HN )  3.0  1.2  0.8 ! A.103  at 9.60e+04
assign (resid  16 and name   HN ) (resid  18 and name   HN )  3.0  1.2  1.8 ! A.104  at 5.92e+04
assign (resid  16 and name   HA ) (resid  19 and name   HN )  4.0  2.2  1.0 ! A.123  at 3.84e+04

! 17
assign (resid  17 and name  HB# ) (resid  17 and name   HN )  2.5  0.7  1.9 ! A.117  at 1.18e+05
assign (resid  17 and name  HD# ) (resid  18 and name   HN )  4.0  2.2  2.0 ! A.271  at 3.44e+04
assign (resid  17 and name   HN ) (resid  18 and name   HN )  3.0  1.2  0.8 ! A.207  at 5.37e+04
assign (resid  17 and name   HA ) (resid  18 and name   HN )  3.0  1.2  0.8 ! A.211  at 5.44e+04
assign (resid  17 and name  HB# ) (resid  18 and name   HN )  2.5  0.7  1.9 ! A.208  at 1.29e+05
assign (resid  17 and name   HA ) (resid  20 and name   HN )  3.0  1.2  0.8 ! A.131  at 4.80e+04
assign (resid  17 and name   HA ) (resid  21 and name   HN )  4.0  2.2  1.0 ! A.141  at 3.98e+04

! 18
assign (resid  18 and name   HA ) (resid  19 and name   HN )  3.0  1.2  0.8 ! A.122  at 5.11e+04
assign (resid  18 and name   HN ) (resid  19 and name   HN )  3.0  1.2  0.8 ! A.206  at 9.33e+04
assign (resid  18 and name   HA ) (resid  21 and name   HN )  3.0  1.2  0.8 ! A.140  at 6.26e+04

! 19
assign (resid  19 and name  HD# ) (resid  19 and name   HN )  4.0  2.2  2.0 ! A.124  at 3.53e+04
assign (resid  19 and name  HG# ) (resid  19 and name   HN )  3.0  1.2  2.0 ! A.125  at 6.12e+04
assign (resid  19 and name   HA ) (resid  20 and name   HN )  4.0  2.2  1.0 ! A.132  at 3.57e+04
assign (resid  19 and name   HN ) (resid  20 and name   HN )  3.0  1.2  0.8 ! A.134  at 6.31e+04
assign (resid  19 and name   HA ) (resid  22 and name   HN )  4.0  2.2  1.0 ! A.314  weak
assign (resid  19 and name   HA ) (resid  23 and name   HN )  3.0  1.2  1.0 ! A.155  at 5.18e+04

! 20
assign (resid  20 and name HG12 ) (resid  20 and name   HN )  3.0  1.2  0.8 ! A.128  at 6.62e+04
assign (resid  20 and name HG11 ) (resid  20 and name   HN )  3.0  1.2  0.8 ! A.127  at 9.19e+04
assign (resid  20 and name HG2# ) (resid  20 and name   HN )  2.5  0.7  2.4 ! A.129  at 1.39e+05
assign (resid  20 and name   HB ) (resid  20 and name   HN )  3.0  1.2  0.8 ! A.126  at 1.81e+05
assign (resid  20 and name   HA ) (resid  21 and name   HN )  3.0  1.2  0.8 ! A.139  at 4.67e+04
assign (resid  20 and name   HN ) (resid  21 and name   HN )  3.0  1.2  0.8 ! A.133  at 7.40e+04
assign (resid  20 and name   HA ) (resid  21 and name   HN )  4.0  2.2  1.0 ! A.313  weak

! 21
assign (resid  21 and name HG2# ) (resid  21 and name   HN )  2.5  0.7  2.4 ! A.135  at 2.28e+05
assign (resid  21 and name HG1# ) (resid  21 and name   HN )  2.5  0.7  2.4 ! A.136  at 2.45e+05
assign (resid  21 and name   HB ) (resid  21 and name   HN )  2.5  0.7  0.4 ! A.137  at 2.84e+05
assign (resid  21 and name   HN ) (resid  22 and name   HN )  3.0  1.2  0.8 ! A.150  at 7.37e+04
assign (resid  21 and name   HA ) (resid  22 and name   HN )  4.0  2.2  1.0 ! A.312  at 3.23e+04
assign (resid  21 and name HG1# ) (resid  22 and name   HN )  3.0  1.2  2.5 ! A.148  at 7.54e+04
assign (resid  21 and name HG2# ) (resid  22 and name   HN )  3.0  1.2  2.5 ! A.147  at 9.47e+04
assign (resid  21 and name   HB ) (resid  22 and name   HN )  2.5  0.7  1.4 ! A.146  at 1.40e+05
assign (resid  21 and name   HA ) (resid  24 and name   HN )  4.0  2.2  1.0 ! A.158  at 3.87e+04

! 22
assign (resid  22 and name  HG# ) (resid  22 and name   HN )  2.5  0.7  2.9 ! A.145  at 1.21e+05
assign (resid  22 and name  HB# ) (resid  22 and name   HN )  2.5  0.7  1.9 ! A.144  at 2.20e+05
assign (resid  22 and name   HA ) (resid  23 and name   HN )  4.0  2.2  1.0 ! A.156  at 3.64e+04
assign (resid  22 and name  HB# ) (resid  23 and name   HN )  3.0  1.2  2.0 ! A.154  at 7.88e+04
assign (resid  22 and name   HN ) (resid  23 and name   HN )  2.5  0.7  0.4 ! A.151  at 1.39e+05
assign (resid  22 and name   HA ) (resid  24 and name   HN )  4.0  2.2  1.0 ! A.159  at 3.16e+04

! 23
assign (resid  23 and name  HG# ) (resid  23 and name   HN )  3.0  1.2  2.0 ! A.153  at 1.04e+05
assign (resid  23 and name  HB# ) (resid  23 and name   HN )  2.5  0.7  1.9 ! A.152  at 2.34e+05
assign (resid  23 and name  HG# ) (resid  24 and name   HN )  3.0  1.2  1.5 ! A.162  at 4.67e+04
assign (resid  23 and name   HN ) (resid  24 and name   HN )  3.0  1.2  0.8 ! A.165  at 7.30e+04
assign (resid  23 and name   HA ) (resid  26 and name   HN )  3.0  1.2  0.8 ! A.170  at 4.95e+04
assign (resid  23 and name   HA ) (resid  27 and name   HN )  4.0  2.2  1.0 ! A.179  at 3.51e+04

! 24
assign (resid  24 and name HD1# ) (resid  24 and name   HN )  3.0  1.2  2.3 ! A.164  at 1.03e+05
assign (resid  24 and name HG1# ) (resid  24 and name   HN )  2.5  0.7  1.9 ! A.160  at 1.50e+05
assign (resid  24 and name HG2# ) (resid  24 and name   HN )  2.5  0.7  1.9 ! A.163  at 1.76e+05
assign (resid  24 and name   HB ) (resid  24 and name   HN )  2.5  0.7  0.9 ! A.161  at 2.42e+05
assign (resid  24 and name HD1# ) (resid  25 and name   HN )  3.0  1.2  2.3 ! A.112  at 4.44e+04
assign (resid  24 and name   HN ) (resid  25 and name   HN )  3.0  1.2  0.8 ! A.166  at 7.02e+04
assign (resid  24 and name HG2# ) (resid  25 and name   HN )  2.5  0.7  2.4 ! A.111  at 1.16e+05
assign (resid  24 and name   HB ) (resid  25 and name   HN )  2.5  0.7  0.9 ! A.114  at 1.24e+05
assign (resid  24 and name   HA ) (resid  27 and name   HN )  3.0  1.2  0.8 ! A.177  at 5.12e+04

! 25
assign (resid  25 and name  HG# ) (resid  25 and name   HN )  3.0  1.2  2.0 ! A.110  at 5.28e+04
assign (resid  25 and name  HD# ) (resid  25 and name   HN )  2.5  0.7  1.9 ! A.109  at 1.83e+05
assign (resid  25 and name  HB# ) (resid  25 and name   HN )  2.5  0.7  1.9 ! A.113  at 2.70e+05
assign (resid  25 and name   HN ) (resid  26 and name   HN )  3.0  1.2  0.8 ! A.171  at 1.03e+05
!assign (resid  25 and name  HB# ) (resid  27 and name   HN )  3.0  1.2  2.0 ! A.181  at 5.34e+04

! 26
assign (resid  26 and name  HB2 ) (resid  26 and name   HN )  2.5  0.7  0.4 ! A.167  at 1.23e+05
assign (resid  26 and name  HB1 ) (resid  26 and name   HN )  2.5  0.7  0.4 ! A.168  at 1.27e+05
assign (resid  26 and name  HB1 ) (resid  27 and name   HN )  3.0  1.2  0.8 ! A.175  at 6.44e+04
assign (resid  26 and name   HN ) (resid  27 and name   HN )  3.0  1.2  0.8 ! A.172  at 6.79e+04
assign (resid  26 and name  HB2 ) (resid  27 and name   HN )  3.0  1.2  0.8 ! A.176  at 7.18e+04
assign (resid  26 and name   HA ) (resid  29 and name   HN )  3.0  1.2  0.8 ! A.202  at 1.13e+05

! 27
assign (resid  27 and name  HD# ) (resid  27 and name   HN )  3.0  1.2  2.0 ! A.184  at 7.75e+04
assign (resid  27 and name  HB# ) (resid  27 and name   HN )  2.5  0.7  1.9 ! A.173  at 2.81e+05
assign (resid  27 and name   HA ) (resid  28 and name   HN )  3.0  1.2  0.8 ! A.192  at 3.99e+04
assign (resid  27 and name  HD# ) (resid  28 and name   HN )  3.0  1.2  2.0 ! A.193  at 4.57e+04
!assign (resid  27 and name   HN ) (resid  28 and name  HD* )  3.0  1.2  2.5 ! A.180  at 6.94e+04
assign (resid  27 and name   HN ) (resid  28 and name   HN )  3.0  1.2  0.8 ! A.183  at 7.75e+04
assign (resid  27 and name  HB# ) (resid  28 and name   HN )  3.0  1.2  2.0 ! A.191  at 9.66e+04
assign (resid  27 and name   HA ) (resid  30 and name   HN )  3.0  1.2  0.8 ! A.214  at 5.58e+04

! 28
assign (resid  28 and name  HB2 ) (resid  28 and name   HN )  3.0  1.2  0.8 ! A.189  at 7.33e+04
assign (resid  28 and name  HB1 ) (resid  28 and name   HN )  3.0  1.2  0.8 ! A.187  at 1.05e+05
assign (resid  28 and name   HG ) (resid  28 and name   HN )  2.5  0.7  0.9 ! A.188  at 1.11e+05
assign (resid  28 and name  HD* ) (resid  28 and name   HN )  2.5  0.7  2.4 ! A.185  at 1.68e+05
assign (resid  28 and name   HN ) (resid  29 and name   HN )  3.0  1.2  0.8 ! A.199  at 5.38e+04
assign (resid  28 and name  HD* ) (resid  29 and name   HN )  3.0  1.2  2.5 ! A.205  at 6.05e+04
assign (resid  28 and name   HA ) (resid  29 and name   HN )  3.0  1.2  0.8 ! A.204  at 7.16e+04
assign (resid  28 and name   HA ) (resid  31 and name   HN )  3.0  1.2  0.8 ! A.221  at 5.59e+04

! 29
assign (resid  29 and name  HG# ) (resid  29 and name   HN )  3.0  1.2  1.5 ! A.274  at 1.02e+05
assign (resid  29 and name  HG# ) (resid  30 and name   HN )  3.0  1.2  1.5 ! A.311  at 4.17e+04
assign (resid  29 and name   HN ) (resid  30 and name   HN )  3.0  1.2  0.8 ! A.200  at 6.09e+04
assign (resid  29 and name   HA ) (resid  30 and name   HN )  3.0  1.2  0.8 ! A.213  at 7.14e+04
assign (resid  29 and name  HB# ) (resid  30 and name   HN )  3.0  1.2  2.0 ! A.217  at 7.24e+04

! 30
assign (resid  30 and name  HB# ) (resid  30 and name   HN )  2.5  0.7  1.9 ! A.216  at 1.79e+05
assign (resid  30 and name  HB# ) (resid  31 and name   HN )  4.0  2.2  2.0 ! A.223  at 3.77e+04
assign (resid  30 and name   HN ) (resid  31 and name   HA )  3.0  1.2  2.0 ! A.215  at 4.23e+04
assign (resid  30 and name   HA ) (resid  31 and name   HN )  3.0  1.2  0.8 ! A.222  at 6.83e+04
assign (resid  30 and name   HN ) (resid  31 and name   HN )  2.5  0.7  0.4 ! A.234  at 1.84e+05
assign (resid  30 and name   HN ) (resid  32 and name  HG* )  4.0  2.2  3.0 ! A.218  at 3.90e+04

! 31
assign (resid  31 and name  HD* ) (resid  31 and name   HN )  3.0  1.2  2.8 ! A.227  at 8.02e+04
assign (resid  31 and name  HB2 ) (resid  31 and name   HN )  2.5  0.7  0.4 ! A.225  at 1.98e+05
assign (resid  31 and name  HB1 ) (resid  31 and name   HN )  2.5  0.7  0.9 ! A.224  at 2.36e+05
assign (resid  31 and name  HB# ) (resid  32 and name   HN )  4.0  2.2  2.0 ! A.231  at 3.77e+04
assign (resid  31 and name  HD* ) (resid  32 and name   HN )  4.0  2.2  3.0 !
assign (resid  31 and name   HN ) (resid  32 and name  HG* )  3.0  1.2  2.8 ! A.232  at 5.37e+04
assign (resid  31 and name   HN ) (resid  32 and name   HN )  2.5  0.7  0.4 ! A.233  at 1.27e+05

! 32
assign (resid  32 and name   HB ) (resid  32 and name   HN )  3.0  1.2  0.8 ! A.229  at 7.15e+04
assign (resid  32 and name  HG* ) (resid  32 and name   HN )  3.0  1.2  2.8 ! A.228  at 7.72e+04
assign (resid  32 and name   HN ) (resid  33 and name   HD#)  3.0  1.2  1.8 ! A.323  
assign (resid  32 and name  HG* ) (resid  34 and name   HN )  3.0  1.2  2.8 ! A.242  at 5.81e+04
assign (resid  32 and name   HA ) (resid  34 and name   HN )  3.0  1.2  0.8 ! A.239  at 7.21e+04
assign (resid  32 and name  HG* ) (resid  35 and name   HN )  3.0  1.2  2.5 ! A.251  at 4.82e+04

! 33
assign (resid  33 and name  HG1 ) (resid  34 and name   HN )  3.0  1.2  0.9 ! A.245  at 6.23e+04
assign (resid  33 and name  HB# ) (resid  34 and name   HN )  3.0  1.2  2.0 ! A.244  at 6.25e+04
assign (resid  33 and name   HA ) (resid  34 and name   HN )  2.5  0.7  1.4 ! A.236  at 5.31e+05

! 34
assign (resid  34 and name  HD# ) (resid  34 and name   HN )  3.0  1.2  1.8 ! A.243  at 4.59e+04
assign (resid  34 and name  HG# ) (resid  34 and name   HN )  2.5  0.7  1.9 ! A.235  at 1.72e+05
assign (resid  34 and name  HB# ) (resid  34 and name   HN )  2.5  0.7  1.2 ! A.23   at 1.95e+05
assign (resid  34 and name  HG# ) (resid  35 and name   HN )  3.0  1.2  1.8 ! A.252  at 8.04e+04
assign (resid  34 and name  HB# ) (resid  35 and name   HN )  2.5  0.7  1.3 ! A.253  at 1.28e+05
assign (resid  34 and name   HA ) (resid  35 and name   HN )  2.5  0.7  0.9 ! A.248  at 5.68e+05

! 35
assign (resid  35 and name   HB ) (resid  35 and name   HN )  2.5  0.7  0.9 ! A.249  at 1.27e+05
assign (resid  35 and name HG2# ) (resid  35 and name   HN )  2.5  0.7  1.9 ! A.250  at 1.70e+05
assign (resid  35 and name HG2# ) (resid  36 and name   HN )  3.0  1.2  1.5 ! A.257  at 5.05e+04
assign (resid  35 and name   HB ) (resid  36 and name   HN )  2.5  0.7  0.4 ! A.256  at 1.19e+05
assign (resid  35 and name   HN ) (resid  36 and name   HN )  2.5  0.7  1.9 ! A.247  at 2.54e+05
assign (resid  35 and name   HA ) (resid  36 and name   HN )  2.5  0.7  0.4 ! A.254  at 4.32e+05

! 36
assign (resid  36 and name  HG1 ) (resid  36 and name   HN )  3.0  1.2  0.8 ! A.260  at 9.22e+04
assign (resid  36 and name  HG2 ) (resid  36 and name   HN )  3.0  1.2  0.8 ! A.259  at 1.02e+05
assign (resid  36 and name  HB# ) (resid  36 and name   HN )  2.5  0.7  1.9 ! A.258  at 2.37e+05
assign (resid  36 and name  HB# ) (resid  37 and name   HN )  4.0  2.2  2.0 ! A.265  at 3.55e+04
assign (resid  36 and name  HG2 ) (resid  37 and name   HN )  4.0  2.2  1.0 ! A.264  at 3.89e+04
assign (resid  36 and name   HA ) (resid  37 and name   HN )  2.5  0.7  0.4 ! A.263  at 3.39e+05

! 37
assign (resid  37 and name  HB# ) (resid  37 and name   HN )  3.0  1.2  1.8 ! A.261  at 6.94e+04

!angle restraints
!@ END_XPLR_NOE_FILE
!! L2
assign (resid 1 and name  C) (resid 2 and name  N)
       (resid 2 and name CA) (resid 2 and name  C)   1 -67.00 10.00  2
assign (resid 2 and name  N) (resid 2 and name CA)
       (resid 2 and name  C) (resid 3 and name  N)   1 -34.00 10.00  2  
!! G3  9/10
assign (resid 2 and name  C) (resid 3 and name  N)
       (resid 3 and name CA) (resid 3 and name  C)   1 -62.00 10.00  2 !
assign (resid 3 and name  N) (resid 3 and name CA)
       (resid 3 and name  C) (resid 4 and name  N)   1 -43.00 10.00  2 ! 
!! D4
assign (resid 3 and name  C) (resid 4 and name  N)
       (resid 4 and name CA) (resid 4 and name  C)   1 -62.00 10.00  2 !
assign (resid 4 and name  N) (resid 4 and name CA)
       (resid 4 and name  C) (resid 5 and name  N)   1 -41.00 15.00  2 ! 
!! F5
assign (resid 4 and name  C) (resid 5 and name  N)
       (resid 5 and name CA) (resid 5 and name  C)   1 -67.00 10.00  2 !
assign (resid 5 and name  N) (resid 5 and name CA)
       (resid 5 and name  C) (resid 6 and name  N)   1 -39.00 10.00  2 ! 
!! F6
assign (resid 5 and name  C) (resid 6 and name  N)
       (resid 6 and name CA) (resid 6 and name  C)   1 -64.00 10.00  2 !
assign (resid 6 and name  N) (resid 6 and name CA)
       (resid 6 and name  C) (resid 7 and name  N)   1 -44.00 10.00  2 ! 
!! R7
assign (resid 6 and name  C) (resid 7 and name  N)
       (resid 7 and name CA) (resid 7 and name  C)   1 -63.00 10.00  2 !
assign (resid 7 and name  N) (resid 7 and name CA)
       (resid 7 and name  C)  (resid 8 and name N)   1 -41.00 10.00  2 ! 
!! K8  
assign (resid 7 and name  C) (resid 8 and name  N)
       (resid 8 and name CA) (resid 8 and name  C)   1 -64.00 10.00  2 !
assign (resid 8 and name  N) (resid 8 and name CA)
       (resid 8 and name  C) (resid 9 and name  N)   1 -38.00 10.00  2 !
!! S9
assign (resid 8 and name  C) (resid 9 and name  N)
       (resid 9 and name CA) (resid 9 and name  C)   1 -66.00 10.00  2 !
assign (resid 9 and name  N) (resid 9 and name CA)
       (resid 9 and name  C) (resid 10 and name  N)   1 -38.00 10.00  2 !
!! K10
assign (resid 9 and name  C) (resid 10 and name  N)
       (resid 10 and name CA) (resid 10 and name  C)   1 -57.00 10.00  2 !
assign (resid 10 and name  N) (resid 10 and name CA)
       (resid 10 and name  C)  (resid 11 and name N)   1 -47.00 10.00  2 ! 
!! E11 
assign (resid 10 and name  C) (resid 11 and name  N)
       (resid 11 and name CA) (resid 11 and name  C)   1 -60.00 10.00  2 !
assign (resid 11 and name  N) (resid 11 and name CA)
       (resid 11 and name  C)  (resid 12 and name N)   1 -44.00 15.00  2 !
!! K12 
assign (resid 11 and name  C) (resid 12 and name  N)
       (resid 12 and name CA) (resid 12 and name  C)   1 -67.00 10.00  2 !
assign (resid 12 and name  N) (resid 12 and name CA)
       (resid 12 and name  C)  (resid 13 and name N)   1 -39.00 10.00  2 !
!! 13
assign (resid 12 and name  C) (resid 13 and name  N)
       (resid 13 and name CA) (resid 13 and name  C)   1 -66.00 10.00  2 !
assign (resid 13 and name  N) (resid 13 and name CA)
       (resid 13 and name  C) (resid 14 and name  N)   1 -36.00 15.00  2 !
!! 14  9/10 
assign (resid 13 and name  C) (resid 14 and name  N)
       (resid 14 and name CA) (resid 14 and name  C)   1 -61.00 15.00  2 !
assign (resid 14 and name  N) (resid 14 and name CA)
       (resid 14 and name  C) (resid 15 and name  N)   1 -44.00 10.00  2 !
!! 15   
assign (resid 14 and name  C) (resid 15 and name  N)
       (resid 15 and name CA) (resid 15 and name  C)   1 -61.00 15.00  2 !
assign (resid 15 and name  N) (resid 15 and name CA)
       (resid 15 and name  C) (resid 16 and name  N)   1 -39.00 10.00  2 !
!! 16 
assign (resid 15 and name  C) (resid 16 and name  N)
       (resid 16 and name CA) (resid 16 and name  C)   1 -69.00 15.00  2 !
assign (resid 16 and name  N) (resid 16 and name CA)
       (resid 16 and name  C) (resid 17 and name  N)   1 -41.00 10.00  2 !
!! 17
assign (resid 16 and name  C) (resid 17 and name  N)
       (resid 17 and name CA) (resid 17 and name  C)   1 -60.00 10.00  2 !
assign (resid 17 and name  N) (resid 17 and name CA)
       (resid 17 and name  C) (resid 18 and name  N)   1 -44.00 10.00  2 !
!! 18
assign (resid 17 and name  C) (resid 18 and name  N)
       (resid 18 and name CA) (resid 18 and name  C)   1 -61.00 10.00  2 !
assign (resid 18 and name  N) (resid 18 and name CA)
       (resid 18 and name  C) (resid 19 and name  N)   1 -39.00 10.00  2 ! 
!! 19
assign (resid 18 and name  C) (resid 19 and name  N)
       (resid 19 and name CA) (resid 19 and name  C)   1 -62.00 10.00  2 !
assign (resid 19 and name  N) (resid 19 and name CA)
       (resid 19 and name  C) (resid 20 and name  N)   1 -43.00 10.00  2 ! 
!! 20
assign (resid 19 and name  C) (resid 20 and name  N)
       (resid 20 and name CA) (resid 20 and name  C)   1 -65.00 10.00  2 !
assign (resid 20 and name  N) (resid 20 and name CA)
       (resid 20 and name  C) (resid 21 and name  N)   1 -44.00 10.00  2 ! 
!! 21
assign (resid 20 and name  C) (resid 21 and name  N)
       (resid 21 and name CA) (resid 21 and name  C)   1 -63.00 10.00  2 !
assign (resid 21 and name  N) (resid 21 and name CA)
       (resid 21 and name  C) (resid 22 and name  N)   1 -43.00 10.00  2 ! 
!! 22
assign (resid 21 and name  C) (resid 22 and name  N)
       (resid 22 and name CA) (resid 22 and name  C)   1 -60.00 10.00  2 !
assign (resid 22 and name  N) (resid 22 and name CA)
       (resid 22 and name  C) (resid 23 and name  N)   1 -41.00 10.00  2 ! 
!! 23
assign (resid 22 and name  C) (resid 23 and name  N)
       (resid 23 and name CA) (resid 23 and name  C)   1 -63.00 10.00  2 !
assign (resid 23 and name  N) (resid 23 and name CA)
       (resid 23 and name  C)  (resid 24 and name N)   1 -45.00 10.00  2 ! 
!! 24
assign (resid 23 and name  C) (resid 24 and name  N)
       (resid 24 and name CA) (resid 24 and name  C)   1 -66.00 10.00  2 !
assign (resid 24 and name  N) (resid 24 and name CA)
       (resid 24 and name  C) (resid 25 and name  N)   1 -43.00 10.00  2 !
!! 25
assign (resid 24 and name  C) (resid 25 and name  N)
       (resid 25 and name CA) (resid 25 and name  C)   1 -60.00 10.00  2 !
assign (resid 25 and name  N) (resid 25 and name CA)
       (resid 25 and name  C) (resid 26 and name  N)   1 -43.00 10.00  2 !
!! 26
assign (resid 25 and name  C) (resid 26 and name  N)
       (resid 26 and name CA) (resid 26 and name  C)   1 -64.00 10.00  2 !
assign (resid 26 and name  N) (resid 26 and name CA)
       (resid 26 and name  C) (resid 27 and name  N)   1 -39.00 10.00  2 !
!! 27
assign (resid 26 and name  C) (resid 27 and name  N)
       (resid 27 and name CA) (resid 27 and name  C)   1 -63.00 10.00  2 !
assign (resid 27 and name  N) (resid 27 and name CA)
       (resid 27 and name  C) (resid 28 and name  N)   1 -43.00 10.00  2 !
!! 28 
assign (resid 27 and name  C) (resid 28 and name  N)
       (resid 28 and name CA) (resid 28 and name  C)   1 -59.00 10.00  2 !
assign (resid 28 and name  N) (resid 28 and name CA)
       (resid 28 and name  C)  (resid 29 and name N)   1 -41.00 10.00  2 !
!! 29
assign (resid 28 and name  C) (resid 29 and name  N)
       (resid 29 and name CA) (resid 29 and name  C)   1 -67.00 10.00  2 !
assign (resid 29 and name  N) (resid 29 and name CA)
       (resid 29 and name  C)  (resid 30 and name N)   1 -32.00 10.00  2 !
!! 30  
assign (resid 29 and name  C) (resid 30 and name  N)
       (resid 30 and name CA) (resid 30 and name  C)   1 -85.00 30.00  2 !
assign (resid 30 and name  N) (resid 30 and name CA)
       (resid 30 and name  C)  (resid 31 and name N)   1 -24.00 30.00  2 !
!END

! H-bond restraints
!H-bonds
assign ( resid 1 and name o ) ( resid 5 and name n ) 3.0 0.8 0.3
assign ( resid 1 and name o ) ( resid 5 and name hn) 2.0 0.8 0.3

assign ( resid 4 and name o ) ( resid 8 and name n ) 3.0 0.8 0.3
assign ( resid 4 and name o ) ( resid 8 and name hn) 2.0 0.8 0.3

assign ( resid 5 and name o ) ( resid 9 and name n ) 3.0 0.8 0.3
assign ( resid 5 and name o ) ( resid 9 and name hn) 2.0 0.8 0.3

assign ( resid 6 and name o ) ( resid 10 and name n ) 3.0 0.8 0.3
assign ( resid 6 and name o ) ( resid 10 and name hn) 2.0 0.8 0.3

assign ( resid 8 and name o ) ( resid 12 and name n ) 3.0 0.8 0.3
assign ( resid 8 and name o ) ( resid 12 and name hn) 2.0 0.8 0.3

assign ( resid 9 and name o ) ( resid 13 and name n ) 3.0 0.8 0.3
assign ( resid 9 and name o ) ( resid 13 and name hn) 2.0 0.8 0.3

assign ( resid 11 and name o ) ( resid 15 and name n ) 3.0 0.8 0.3
assign ( resid 11 and name o ) ( resid 15 and name hn) 2.0 0.8 0.3

assign ( resid 12 and name o ) ( resid 16 and name n ) 3.0 0.8 0.3
assign ( resid 12 and name o ) ( resid 16 and name hn) 2.0 0.8 0.3

assign ( resid 13 and name o ) ( resid 17 and name n ) 3.0 0.8 0.3
assign ( resid 13 and name o ) ( resid 17 and name hn) 2.0 0.8 0.3

assign ( resid 14 and name o ) ( resid 18 and name n ) 3.0 0.8 0.5
assign ( resid 14 and name o ) ( resid 18 and name hn) 2.0 0.8 0.5

assign ( resid 15 and name o ) ( resid 19 and name n ) 3.0 0.8 0.5
assign ( resid 15 and name o ) ( resid 19 and name hn) 2.0 0.8 0.5

assign ( resid 17 and name o ) ( resid 21 and name n ) 3.0 0.8 0.5
assign ( resid 17 and name o ) ( resid 21 and name hn) 2.0 0.8 0.5

assign ( resid 18 and name o ) ( resid 22 and name n ) 3.0 0.8 0.5
assign ( resid 18 and name o ) ( resid 22 and name hn) 2.0 0.8 0.5

assign ( resid 19 and name o ) ( resid 23 and name n ) 3.0 0.8 0.8
assign ( resid 19 and name o ) ( resid 23 and name hn) 2.0 0.8 0.8

assign ( resid 20 and name o ) ( resid 24 and name n ) 3.0 0.8 0.8
assign ( resid 20 and name o ) ( resid 24 and name hn) 2.0 0.8 0.8

assign ( resid 23 and name o ) ( resid 27 and name n ) 3.0 0.8 0.3
assign ( resid 23 and name o ) ( resid 27 and name hn) 2.0 0.8 0.3

assign ( resid 24 and name o ) ( resid 28 and name n ) 3.0 0.8 0.3
assign ( resid 24 and name o ) ( resid 28 and name hn) 2.0 0.8 0.3

assign ( resid 26 and name o ) ( resid 30 and name n ) 3.0 0.8 0.3
assign ( resid 26 and name o ) ( resid 30 and name hn) 2.0 0.8 0.3

assign ( resid 27 and name o ) ( resid 31 and name n ) 3.0 0.8 0.3
assign ( resid 27 and name o ) ( resid 31 and name hn) 2.0 0.8 0.3

!end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           1HT      LEU   1 -22.972   5.280   5.573
    2    H2   LEU   1           2HT      LEU   1 -24.245   4.298   6.124
    3    H3   LEU   1           3HT      LEU   1 -24.024   4.554   4.458
    4    HA   LEU   1           HA       LEU   1 -22.868   2.583   6.135
    5    HB2  LEU   1           2HB      LEU   1 -23.027   3.215   3.191
    6    HB3  LEU   1           1HB      LEU   1 -22.040   1.871   3.765
    7    HG   LEU   1           HG       LEU   1 -23.991   0.886   4.882
    8   HD11  LEU   1          2HD1      LEU   1 -25.294   2.768   5.517
    9   HD12  LEU   1          3HD1      LEU   1 -26.256   1.956   4.283
   10   HD13  LEU   1          1HD1      LEU   1 -25.330   3.398   3.870
   11   HD21  LEU   1          1HD2      LEU   1 -25.156   0.161   2.910
   12   HD22  LEU   1          2HD2      LEU   1 -23.492   0.474   2.418
   13   HD23  LEU   1          3HD2      LEU   1 -24.755   1.648   2.052
   14    H    LEU   2           H        LEU   2 -21.695   5.220   6.578
   15    HA   LEU   2           HA       LEU   2 -19.122   5.271   5.321
   16    HB2  LEU   2           2HB      LEU   2 -20.538   7.198   6.483
   17    HB3  LEU   2           1HB      LEU   2 -19.627   6.694   7.902
   18    HG   LEU   2           HG       LEU   2 -18.457   8.510   6.737
   19   HD11  LEU   2          1HD1      LEU   2 -16.879   6.034   6.103
   20   HD12  LEU   2          2HD1      LEU   2 -17.265   6.427   7.775
   21   HD13  LEU   2          3HD1      LEU   2 -16.327   7.554   6.795
   22   HD21  LEU   2          3HD2      LEU   2 -18.109   8.580   4.483
   23   HD22  LEU   2          1HD2      LEU   2 -19.434   7.419   4.425
   24   HD23  LEU   2          2HD2      LEU   2 -17.764   6.854   4.375
   25    H    GLY   3           H        GLY   3 -20.344   4.276   8.467
   26    HA2  GLY   3           2HA      GLY   3 -17.908   3.589   9.674
   27    HA3  GLY   3           1HA      GLY   3 -19.461   2.834  10.043
   28    H    ASP   4           H        ASP   4 -19.978   1.892   7.399
   29    HA   ASP   4           HA       ASP   4 -18.539  -0.594   7.467
   30    HB2  ASP   4           2HB      ASP   4 -20.963  -0.200   6.722
   31    HB3  ASP   4           1HB      ASP   4 -20.282   0.386   5.209
   32    H    PHE   5           H        PHE   5 -18.302   2.406   5.746
   33    HA   PHE   5           HA       PHE   5 -16.703   1.566   3.550
   34    HB2  PHE   5           2HB      PHE   5 -17.907   3.742   3.698
   35    HB3  PHE   5           1HB      PHE   5 -16.772   4.248   4.932
   36    HD1  PHE   5           2HD      PHE   5 -14.419   4.664   4.421
   37    HD2  PHE   5           1HD      PHE   5 -17.223   3.563   1.361
   38    HE1  PHE   5           2HE      PHE   5 -12.809   5.393   2.687
   39    HE2  PHE   5           1HE      PHE   5 -15.614   4.294  -0.377
   40    HZ   PHE   5           HZ       PHE   5 -13.404   5.207   0.284
   41    H    PHE   6           H        PHE   6 -15.967   3.075   6.634
   42    HA   PHE   6           HA       PHE   6 -13.202   3.215   6.469
   43    HB2  PHE   6           2HB      PHE   6 -15.163   2.949   8.713
   44    HB3  PHE   6           1HB      PHE   6 -13.450   2.762   9.079
   45    HD1  PHE   6           2HD      PHE   6 -11.974   4.646   7.620
   46    HD2  PHE   6           1HD      PHE   6 -15.975   5.085   9.130
   47    HE1  PHE   6           2HE      PHE   6 -11.707   7.108   7.617
   48    HE2  PHE   6           1HE      PHE   6 -15.701   7.548   9.130
   49    HZ   PHE   6           HZ       PHE   6 -13.568   8.559   8.374
   50    H    ARG   7           H        ARG   7 -15.251   0.522   7.537
   51    HA   ARG   7           HA       ARG   7 -13.134  -1.230   8.239
   52    HB2  ARG   7           2HB      ARG   7 -15.987  -1.796   7.397
   53    HB3  ARG   7           1HB      ARG   7 -14.886  -3.002   8.061
   54    HG2  ARG   7           2HG      ARG   7 -15.273  -0.449   9.585
   55    HG3  ARG   7           1HG      ARG   7 -16.555  -1.658   9.641
   56    HD2  ARG   7           2HD      ARG   7 -13.672  -2.384  10.160
   57    HD3  ARG   7           1HD      ARG   7 -14.728  -1.811  11.448
   58    HE   ARG   7           HE       ARG   7 -16.164  -3.826  10.301
   59   HH11  ARG   7          1HH2      ARG   7 -12.949  -3.495  11.537
   60   HH12  ARG   7          2HH2      ARG   7 -12.828  -5.145  12.051
   61   HH21  ARG   7          1HH1      ARG   7 -16.013  -5.992  10.973
   62   HH22  ARG   7          2HH1      ARG   7 -14.563  -6.558  11.731
   63    H    LYS   8           H        LYS   8 -14.890  -0.627   5.236
   64    HA   LYS   8           HA       LYS   8 -13.703  -2.811   3.805
   65    HB2  LYS   8           2HB      LYS   8 -15.873  -1.817   3.155
   66    HB3  LYS   8           1HB      LYS   8 -15.049  -0.312   2.750
   67    HG2  LYS   8           2HG      LYS   8 -13.931  -1.264   0.916
   68    HG3  LYS   8           1HG      LYS   8 -14.155  -2.909   1.512
   69    HD2  LYS   8           2HD      LYS   8 -15.657  -2.418  -0.401
   70    HD3  LYS   8           1HD      LYS   8 -16.567  -2.763   1.071
   71    HE2  LYS   8           2HE      LYS   8 -16.995  -0.430   1.453
   72    HE3  LYS   8           1HE      LYS   8 -15.859   0.046   0.190
   73    HZ1  LYS   8           3HZ      LYS   8 -17.823  -1.751  -0.807
   74    HZ2  LYS   8           1HZ      LYS   8 -17.416  -0.198  -1.350
   75    HZ3  LYS   8           2HZ      LYS   8 -18.554  -0.388  -0.103
   76    H    SER   9           H        SER   9 -13.160   0.712   3.840
   77    HA   SER   9           HA       SER   9 -11.017   0.706   1.997
   78    HB2  SER   9           2HB      SER   9 -12.194   2.763   2.562
   79    HB3  SER   9           1HB      SER   9 -11.665   2.637   4.237
   80    HG   SER   9           HG       SER   9  -9.464   2.501   3.050
   81    H    LYS  10           H        LYS  10 -11.203   0.200   5.457
   82    HA   LYS  10           HA       LYS  10  -8.591   0.523   6.265
   83    HB2  LYS  10           2HB      LYS  10 -10.286   0.024   7.881
   84    HB3  LYS  10           1HB      LYS  10 -10.639  -1.527   7.119
   85    HG2  LYS  10           2HG      LYS  10  -8.580  -2.469   7.818
   86    HG3  LYS  10           1HG      LYS  10  -7.890  -0.891   8.195
   87    HD2  LYS  10           2HD      LYS  10 -10.371  -1.716   9.656
   88    HD3  LYS  10           1HD      LYS  10  -8.850  -2.477  10.119
   89    HE2  LYS  10           2HE      LYS  10  -9.136   0.522   9.868
   90    HE3  LYS  10           1HE      LYS  10  -9.462  -0.334  11.375
   91    HZ1  LYS  10           3HZ      LYS  10  -7.228  -1.238  11.312
   92    HZ2  LYS  10           1HZ      LYS  10  -7.181   0.458  11.280
   93    HZ3  LYS  10           2HZ      LYS  10  -6.912  -0.425   9.854
   94    H    GLU  11           H        GLU  11 -10.008  -2.577   5.135
   95    HA   GLU  11           HA       GLU  11  -7.464  -3.856   5.064
   96    HB2  GLU  11           2HB      GLU  11  -8.589  -5.763   4.254
   97    HB3  GLU  11           1HB      GLU  11  -9.763  -4.966   5.299
   98    HG2  GLU  11           2HG      GLU  11 -10.591  -3.778   3.176
   99    HG3  GLU  11           1HG      GLU  11  -9.650  -4.968   2.282
  100    H    LYS  12           H        LYS  12  -9.286  -2.026   2.729
  101    HA   LYS  12           HA       LYS  12  -8.080  -2.920   0.367
  102    HB2  LYS  12           2HB      LYS  12  -9.129  -0.199   1.148
  103    HB3  LYS  12           1HB      LYS  12  -8.526  -0.557  -0.467
  104    HG2  LYS  12           2HG      LYS  12 -10.303  -2.675   0.170
  105    HG3  LYS  12           1HG      LYS  12 -11.110  -1.200   0.690
  106    HD2  LYS  12           2HD      LYS  12 -11.753  -1.430  -1.568
  107    HD3  LYS  12           1HD      LYS  12 -10.449  -0.244  -1.620
  108    HE2  LYS  12           2HE      LYS  12  -9.906  -1.768  -3.346
  109    HE3  LYS  12           1HE      LYS  12  -8.884  -2.270  -1.999
  110    HZ1  LYS  12           3HZ      LYS  12 -10.786  -3.820  -1.409
  111    HZ2  LYS  12           1HZ      LYS  12  -9.860  -4.226  -2.770
  112    HZ3  LYS  12           2HZ      LYS  12 -11.388  -3.509  -2.968
  113    H    ILE  13           H        ILE  13  -6.879  -0.714   2.857
  114    HA   ILE  13           HA       ILE  13  -4.671   0.197   1.291
  115    HB   ILE  13           HB       ILE  13  -4.149   1.509   3.081
  116   HG12  ILE  13          2HG1      ILE  13  -5.059  -0.686   4.963
  117   HG13  ILE  13          1HG1      ILE  13  -3.389  -0.356   4.519
  118   HG21  ILE  13          1HG2      ILE  13  -6.108   2.325   4.041
  119   HG22  ILE  13          2HG2      ILE  13  -6.801   0.716   4.231
  120   HG23  ILE  13          3HG2      ILE  13  -6.726   1.459   2.633
  121   HD11  ILE  13          3HD1      ILE  13  -3.628   1.944   5.438
  122   HD12  ILE  13          1HD1      ILE  13  -3.868   0.699   6.662
  123   HD13  ILE  13          2HD1      ILE  13  -5.258   1.534   5.969
  124    H    GLY  14           H        GLY  14  -4.997  -2.139   3.948
  125    HA2  GLY  14           2HA      GLY  14  -2.421  -3.021   4.223
  126    HA3  GLY  14           1HA      GLY  14  -3.821  -4.078   4.379
  127    H    LYS  15           H        LYS  15  -4.666  -3.757   1.603
  128    HA   LYS  15           HA       LYS  15  -3.035  -5.823   0.456
  129    HB2  LYS  15           2HB      LYS  15  -5.490  -5.660   0.105
  130    HB3  LYS  15           1HB      LYS  15  -5.231  -4.191  -0.834
  131    HG2  LYS  15           2HG      LYS  15  -3.465  -6.265  -1.806
  132    HG3  LYS  15           1HG      LYS  15  -5.113  -6.883  -1.759
  133    HD2  LYS  15           2HD      LYS  15  -4.471  -4.186  -2.966
  134    HD3  LYS  15           1HD      LYS  15  -4.379  -5.672  -3.910
  135    HE2  LYS  15           2HE      LYS  15  -6.715  -6.165  -3.476
  136    HE3  LYS  15           1HE      LYS  15  -6.840  -4.799  -2.368
  137    HZ1  LYS  15           3HZ      LYS  15  -5.876  -3.657  -4.614
  138    HZ2  LYS  15           1HZ      LYS  15  -7.511  -3.680  -4.160
  139    HZ3  LYS  15           2HZ      LYS  15  -6.915  -4.845  -5.245
  140    H    GLU  16           H        GLU  16  -3.688  -2.420  -0.464
  141    HA   GLU  16           HA       GLU  16  -1.658  -2.517  -2.525
  142    HB2  GLU  16           2HB      GLU  16  -2.315  -0.336  -3.092
  143    HB3  GLU  16           1HB      GLU  16  -3.805  -1.087  -2.524
  144    HG2  GLU  16           2HG      GLU  16  -3.079  -0.137  -0.191
  145    HG3  GLU  16           1HG      GLU  16  -2.066   0.941  -1.145
  146    H    PHE  17           H        PHE  17  -1.930  -1.264   0.760
  147    HA   PHE  17           HA       PHE  17   0.418   0.264   0.851
  148    HB2  PHE  17           2HB      PHE  17  -1.455   0.022   2.613
  149    HB3  PHE  17           1HB      PHE  17  -0.553  -1.383   3.179
  150    HD1  PHE  17           2HD      PHE  17  -0.293   2.273   2.506
  151    HD2  PHE  17           1HD      PHE  17   1.423  -1.135   4.478
  152    HE1  PHE  17           2HE      PHE  17   1.249   3.767   3.746
  153    HE2  PHE  17           1HE      PHE  17   2.965   0.359   5.718
  154    HZ   PHE  17           HZ       PHE  17   2.878   2.810   5.351
  155    H    LYS  18           H        LYS  18  -0.124  -3.201   1.289
  156    HA   LYS  18           HA       LYS  18   2.500  -3.853   2.147
  157    HB2  LYS  18           2HB      LYS  18   0.446  -5.331   2.309
  158    HB3  LYS  18           1HB      LYS  18   0.632  -5.646   0.585
  159    HG2  LYS  18           2HG      LYS  18   1.851  -7.419   1.460
  160    HG3  LYS  18           1HG      LYS  18   3.128  -6.217   1.283
  161    HD2  LYS  18           2HD      LYS  18   3.478  -6.885   3.483
  162    HD3  LYS  18           1HD      LYS  18   2.384  -5.527   3.733
  163    HE2  LYS  18           2HE      LYS  18   0.489  -7.295   3.553
  164    HE3  LYS  18           1HE      LYS  18   1.769  -8.476   3.825
  165    HZ1  LYS  18           3HZ      LYS  18   0.883  -7.912   5.926
  166    HZ2  LYS  18           1HZ      LYS  18   0.958  -6.249   5.603
  167    HZ3  LYS  18           2HZ      LYS  18   2.391  -7.135   5.822
  168    H    ARG  19           H        ARG  19   0.948  -3.953  -1.065
  169    HA   ARG  19           HA       ARG  19   3.248  -4.804  -2.481
  170    HB2  ARG  19           2HB      ARG  19   0.871  -3.180  -3.423
  171    HB3  ARG  19           1HB      ARG  19   2.059  -3.942  -4.481
  172    HG2  ARG  19           2HG      ARG  19   1.492  -6.144  -3.339
  173    HG3  ARG  19           1HG      ARG  19   0.135  -5.307  -2.586
  174    HD2  ARG  19           2HD      ARG  19  -0.827  -6.233  -4.518
  175    HD3  ARG  19           1HD      ARG  19  -0.470  -4.579  -5.009
  176    HE   ARG  19           HE       ARG  19   1.778  -5.965  -5.713
  177   HH11  ARG  19          1HH2      ARG  19  -1.618  -6.317  -6.268
  178   HH12  ARG  19          2HH2      ARG  19  -1.429  -7.065  -7.818
  179   HH21  ARG  19          1HH1      ARG  19   2.036  -6.947  -7.746
  180   HH22  ARG  19          2HH1      ARG  19   0.641  -7.422  -8.656
  181    H    ILE  20           H        ILE  20   2.118  -1.650  -1.439
  182    HA   ILE  20           HA       ILE  20   3.901  -0.098  -3.024
  183    HB   ILE  20           HB       ILE  20   2.303   0.435  -0.525
  184   HG12  ILE  20          2HG1      ILE  20   2.224   1.689  -3.283
  185   HG13  ILE  20          1HG1      ILE  20   1.244   0.299  -2.822
  186   HG21  ILE  20          1HG2      ILE  20   4.355   2.195  -1.875
  187   HG22  ILE  20          2HG2      ILE  20   4.197   1.820  -0.159
  188   HG23  ILE  20          3HG2      ILE  20   3.021   2.874  -0.942
  189   HD11  ILE  20          3HD1      ILE  20   1.218   2.969  -1.384
  190   HD12  ILE  20          1HD1      ILE  20   0.172   1.589  -1.053
  191   HD13  ILE  20          2HD1      ILE  20   0.020   2.463  -2.577
  192    H    VAL  21           H        VAL  21   4.007  -1.045   0.423
  193    HA   VAL  21           HA       VAL  21   6.512   0.019   1.028
  194    HB   VAL  21           HB       VAL  21   5.137  -2.450   2.113
  195   HG11  VAL  21          1HG1      VAL  21   7.448  -2.707   2.657
  196   HG12  VAL  21          2HG1      VAL  21   6.702  -2.001   4.090
  197   HG13  VAL  21          3HG1      VAL  21   7.634  -0.985   2.990
  198   HG21  VAL  21          3HG2      VAL  21   4.079  -0.122   2.350
  199   HG22  VAL  21          1HG2      VAL  21   5.462   0.285   3.367
  200   HG23  VAL  21          2HG2      VAL  21   4.361  -1.006   3.850
  201    H    GLN  22           H        GLN  22   5.637  -3.034  -0.507
  202    HA   GLN  22           HA       GLN  22   8.267  -4.148  -0.480
  203    HB2  GLN  22           2HB      GLN  22   6.044  -5.382  -0.817
  204    HB3  GLN  22           1HB      GLN  22   6.112  -4.812  -2.484
  205    HG2  GLN  22           2HG      GLN  22   7.137  -6.974  -2.484
  206    HG3  GLN  22           1HG      GLN  22   8.453  -5.807  -2.600
  207   HE21  GLN  22          1HE2      GLN  22   6.753  -7.963  -0.307
  208   HE22  GLN  22          2HE2      GLN  22   8.025  -8.030   0.815
  209    H    ARG  23           H        ARG  23   6.392  -2.306  -2.864
  210    HA   ARG  23           HA       ARG  23   8.345  -2.428  -4.930
  211    HB2  ARG  23           2HB      ARG  23   5.919  -1.853  -5.248
  212    HB3  ARG  23           1HB      ARG  23   6.252  -0.283  -4.516
  213    HG2  ARG  23           2HG      ARG  23   7.930   0.186  -6.254
  214    HG3  ARG  23           1HG      ARG  23   7.624  -1.391  -6.984
  215    HD2  ARG  23           2HD      ARG  23   5.169  -0.648  -7.154
  216    HD3  ARG  23           1HD      ARG  23   5.757   0.975  -6.807
  217    HE   ARG  23           HE       ARG  23   7.341   0.139  -8.872
  218   HH11  ARG  23          1HH2      ARG  23   3.935   0.318  -8.283
  219   HH12  ARG  23          2HH2      ARG  23   3.523   0.573  -9.946
  220   HH21  ARG  23          1HH1      ARG  23   6.808   0.472 -11.051
  221   HH22  ARG  23          2HH1      ARG  23   5.149   0.661 -11.514
  222    H    ILE  24           H        ILE  24   7.550   0.096  -2.536
  223    HA   ILE  24           HA       ILE  24   9.457   1.982  -3.314
  224    HB   ILE  24           HB       ILE  24   7.937   1.396  -0.823
  225   HG12  ILE  24          2HG1      ILE  24   7.213   3.681  -1.115
  226   HG13  ILE  24          1HG1      ILE  24   8.508   4.001  -2.266
  227   HG21  ILE  24          1HG2      ILE  24  10.043   1.768   0.239
  228   HG22  ILE  24          2HG2      ILE  24   9.201   3.315   0.305
  229   HG23  ILE  24          3HG2      ILE  24  10.468   3.054  -0.893
  230   HD11  ILE  24          3HD1      ILE  24   7.444   2.885  -3.984
  231   HD12  ILE  24          1HD1      ILE  24   6.029   3.413  -3.075
  232   HD13  ILE  24          2HD1      ILE  24   6.627   1.766  -2.896
  233    H    LYS  25           H        LYS  25   9.774  -0.855  -1.224
  234    HA   LYS  25           HA       LYS  25  12.313  -0.380  -0.176
  235    HB2  LYS  25           2HB      LYS  25  11.089  -2.219   0.685
  236    HB3  LYS  25           1HB      LYS  25  10.863  -2.921  -0.914
  237    HG2  LYS  25           2HG      LYS  25  13.695  -2.544  -0.111
  238    HG3  LYS  25           1HG      LYS  25  12.801  -3.722   0.848
  239    HD2  LYS  25           2HD      LYS  25  12.095  -4.874  -1.224
  240    HD3  LYS  25           1HD      LYS  25  13.017  -3.714  -2.178
  241    HE2  LYS  25           2HE      LYS  25  15.084  -4.409  -0.979
  242    HE3  LYS  25           1HE      LYS  25  14.144  -5.623  -0.110
  243    HZ1  LYS  25           3HZ      LYS  25  14.072  -6.955  -1.888
  244    HZ2  LYS  25           1HZ      LYS  25  15.387  -6.045  -2.453
  245    HZ3  LYS  25           2HZ      LYS  25  13.813  -5.676  -2.977
  246    H    ASP  26           H        ASP  26  11.324  -1.603  -3.326
  247    HA   ASP  26           HA       ASP  26  13.971  -2.308  -4.183
  248    HB2  ASP  26           2HB      ASP  26  11.759  -3.211  -5.096
  249    HB3  ASP  26           1HB      ASP  26  11.624  -1.690  -5.978
  250    H    PHE  27           H        PHE  27  11.911   0.533  -4.429
  251    HA   PHE  27           HA       PHE  27  13.265   1.996  -6.371
  252    HB2  PHE  27           2HB      PHE  27  11.101   2.634  -5.308
  253    HB3  PHE  27           1HB      PHE  27  11.986   3.088  -3.855
  254    HD1  PHE  27           1HD      PHE  27  12.188   3.661  -7.564
  255    HD2  PHE  27           2HD      PHE  27  12.542   5.341  -3.625
  256    HE1  PHE  27           1HE      PHE  27  12.648   5.885  -8.555
  257    HE2  PHE  27           2HE      PHE  27  13.001   7.565  -4.618
  258    HZ   PHE  27           HZ       PHE  27  13.055   7.838  -7.083
  259    H    LEU  28           H        LEU  28  13.755   2.096  -2.838
  260    HA   LEU  28           HA       LEU  28  15.886   3.862  -2.743
  261    HB2  LEU  28           2HB      LEU  28  15.140   1.512  -1.010
  262    HB3  LEU  28           1HB      LEU  28  16.555   2.501  -0.657
  263    HG   LEU  28           HG       LEU  28  14.945   4.525  -0.834
  264   HD11  LEU  28          1HD1      LEU  28  12.999   2.219  -0.558
  265   HD12  LEU  28          2HD1      LEU  28  13.032   3.441  -1.828
  266   HD13  LEU  28          3HD1      LEU  28  12.588   3.892  -0.184
  267   HD21  LEU  28          3HD2      LEU  28  15.877   3.864   1.292
  268   HD22  LEU  28          1HD2      LEU  28  14.785   2.483   1.399
  269   HD23  LEU  28          2HD2      LEU  28  14.149   4.123   1.530
  270    H    ARG  29           H        ARG  29  15.842   0.474  -3.645
  271    HA   ARG  29           HA       ARG  29  18.656   0.044  -3.486
  272    HB2  ARG  29           2HB      ARG  29  16.694  -1.674  -3.646
  273    HB3  ARG  29           1HB      ARG  29  16.880  -1.459  -5.387
  274    HG2  ARG  29           2HG      ARG  29  19.274  -2.041  -5.203
  275    HG3  ARG  29           1HG      ARG  29  19.085  -2.263  -3.464
  276    HD2  ARG  29           2HD      ARG  29  17.142  -3.906  -4.215
  277    HD3  ARG  29           1HD      ARG  29  18.070  -3.965  -5.711
  278    HE   ARG  29           HE       ARG  29  19.941  -4.392  -3.760
  279   HH11  ARG  29          1HH2      ARG  29  16.890  -5.775  -4.619
  280   HH12  ARG  29          2HH2      ARG  29  17.286  -7.358  -4.035
  281   HH21  ARG  29          1HH1      ARG  29  20.469  -6.463  -2.988
  282   HH22  ARG  29          2HH1      ARG  29  19.313  -7.747  -3.110
  283    H    ASN  30           H        ASN  30  16.475   0.982  -6.125
  284    HA   ASN  30           HA       ASN  30  18.718   1.223  -7.986
  285    HB2  ASN  30           2HB      ASN  30  15.782   1.837  -8.394
  286    HB3  ASN  30           1HB      ASN  30  17.014   1.735  -9.651
  287   HD21  ASN  30          1HD2      ASN  30  15.324  -0.232  -7.176
  288   HD22  ASN  30          2HD2      ASN  30  15.585  -1.715  -7.958
  289    H    LEU  31           H        LEU  31  17.698   3.039  -5.538
  290    HA   LEU  31           HA       LEU  31  17.588   5.631  -6.844
  291    HB2  LEU  31           2HB      LEU  31  16.361   4.825  -4.675
  292    HB3  LEU  31           1HB      LEU  31  17.877   5.238  -3.881
  293    HG   LEU  31           HG       LEU  31  17.723   7.522  -4.906
  294   HD11  LEU  31          1HD1      LEU  31  15.298   6.262  -6.096
  295   HD12  LEU  31          2HD1      LEU  31  16.337   7.534  -6.739
  296   HD13  LEU  31          3HD1      LEU  31  15.116   7.924  -5.531
  297   HD21  LEU  31          3HD2      LEU  31  16.953   7.098  -2.606
  298   HD22  LEU  31          1HD2      LEU  31  15.365   6.629  -3.213
  299   HD23  LEU  31          2HD2      LEU  31  15.919   8.295  -3.386
  300    H    VAL  32           H        VAL  32  19.672   4.231  -4.297
  301    HA   VAL  32           HA       VAL  32  21.684   6.198  -4.503
  302    HB   VAL  32           HB       VAL  32  22.940   4.870  -3.026
  303   HG11  VAL  32          1HG1      VAL  32  20.121   3.869  -2.567
  304   HG12  VAL  32          2HG1      VAL  32  20.611   5.529  -2.227
  305   HG13  VAL  32          3HG1      VAL  32  21.363   4.191  -1.357
  306   HG21  VAL  32          3HG2      VAL  32  22.340   2.368  -2.785
  307   HG22  VAL  32          1HG2      VAL  32  23.233   2.841  -4.230
  308   HG23  VAL  32          2HG2      VAL  32  21.497   2.550  -4.323
  309    HA   PRO  33           HA       PRO  33  23.523   4.766  -8.311
  310    HB2  PRO  33           2HB      PRO  33  25.752   6.350  -8.291
  311    HB3  PRO  33           1HB      PRO  33  24.139   6.960  -8.708
  312    HG2  PRO  33           2HG      PRO  33  25.653   7.205  -6.157
  313    HG3  PRO  33           1HG      PRO  33  24.618   8.389  -6.975
  314    HD2  PRO  33           2HD      PRO  33  23.790   6.893  -4.821
  315    HD3  PRO  33           1HD      PRO  33  22.681   7.531  -6.056
  316    H    ARG  34           H        ARG  34  25.290   4.993  -5.281
  317    HA   ARG  34           HA       ARG  34  26.700   2.487  -5.917
  318    HB2  ARG  34           2HB      ARG  34  27.972   5.062  -5.001
  319    HB3  ARG  34           1HB      ARG  34  28.760   3.495  -4.833
  320    HG2  ARG  34           2HG      ARG  34  28.949   3.186  -7.145
  321    HG3  ARG  34           1HG      ARG  34  27.672   4.343  -7.510
  322    HD2  ARG  34           2HD      ARG  34  29.396   6.006  -6.286
  323    HD3  ARG  34           1HD      ARG  34  30.547   4.827  -6.901
  324    HE   ARG  34           HE       ARG  34  29.499   6.847  -8.421
  325   HH11  ARG  34          1HH2      ARG  34  29.381   3.380  -8.551
  326   HH12  ARG  34          2HH2      ARG  34  29.101   3.327 -10.256
  327   HH21  ARG  34          1HH1      ARG  34  29.147   6.766 -10.648
  328   HH22  ARG  34          2HH1      ARG  34  28.974   5.236 -11.442
  329    H    THR  35           H        THR  35  26.268   1.099  -4.336
  330    HA   THR  35           HA       THR  35  25.145   1.903  -1.835
  331    HB   THR  35           HB       THR  35  24.674  -0.311  -1.573
  332    HG1  THR  35           1HG      THR  35  27.348  -0.604  -2.317
  333   HG21  THR  35          3HG2      THR  35  25.726  -0.636  -4.379
  334   HG22  THR  35          1HG2      THR  35  24.282   0.318  -4.037
  335   HG23  THR  35          2HG2      THR  35  24.318  -1.401  -3.643
  336    H    GLU  36           H        GLU  36  26.370   0.209  -0.009
  337    HA   GLU  36           HA       GLU  36  28.608   1.787   0.800
  338    HB2  GLU  36           2HB      GLU  36  27.278  -0.696   1.855
  339    HB3  GLU  36           1HB      GLU  36  28.797  -0.125   2.549
  340    HG2  GLU  36           2HG      GLU  36  27.804   2.049   3.032
  341    HG3  GLU  36           1HG      GLU  36  26.304   1.570   2.245
  342    H    SER  37           H        SER  37  30.745   1.440   0.550
  343    HA   SER  37           HA       SER  37  31.648  -0.436  -1.400
  344    HB2  SER  37           2HB      SER  37  33.276   1.186   0.570
  345    HB3  SER  37           1HB      SER  37  33.873   0.420  -0.901
  346    HG   SER  37           HG       SER  37  33.336   2.248  -1.790
  Start of MODEL    2
    1    H1   LEU   1           1HT      LEU   1 -24.094   5.113   3.887
    2    H2   LEU   1           2HT      LEU   1 -22.840   6.061   3.239
    3    H3   LEU   1           3HT      LEU   1 -22.948   5.822   4.917
    4    HA   LEU   1           HA       LEU   1 -22.644   3.382   4.486
    5    HB2  LEU   1           2HB      LEU   1 -21.611   4.397   1.828
    6    HB3  LEU   1           1HB      LEU   1 -21.774   2.721   2.353
    7    HG   LEU   1           HG       LEU   1 -24.058   4.662   1.890
    8   HD11  LEU   1          2HD1      LEU   1 -23.024   2.272   0.343
    9   HD12  LEU   1          3HD1      LEU   1 -23.143   3.939  -0.219
   10   HD13  LEU   1          1HD1      LEU   1 -24.606   2.996   0.064
   11   HD21  LEU   1          1HD2      LEU   1 -23.906   1.833   2.938
   12   HD22  LEU   1          2HD2      LEU   1 -25.361   2.423   2.134
   13   HD23  LEU   1          3HD2      LEU   1 -24.787   3.208   3.605
   14    H    LEU   2           H        LEU   2 -21.533   5.813   5.670
   15    HA   LEU   2           HA       LEU   2 -18.753   5.942   5.008
   16    HB2  LEU   2           2HB      LEU   2 -20.337   7.686   6.236
   17    HB3  LEU   2           1HB      LEU   2 -19.768   6.843   7.673
   18    HG   LEU   2           HG       LEU   2 -18.332   8.776   7.185
   19   HD11  LEU   2          1HD1      LEU   2 -16.292   7.690   7.501
   20   HD12  LEU   2          2HD1      LEU   2 -16.701   6.381   6.400
   21   HD13  LEU   2          3HD1      LEU   2 -17.445   6.452   7.994
   22   HD21  LEU   2          3HD2      LEU   2 -17.478   9.261   5.124
   23   HD22  LEU   2          1HD2      LEU   2 -18.798   8.247   4.547
   24   HD23  LEU   2          2HD2      LEU   2 -17.180   7.569   4.731
   25    H    GLY   3           H        GLY   3 -20.632   4.415   7.561
   26    HA2  GLY   3           2HA      GLY   3 -18.515   3.343   9.059
   27    HA3  GLY   3           1HA      GLY   3 -20.129   2.636   8.949
   28    H    ASP   4           H        ASP   4 -20.107   2.283   6.115
   29    HA   ASP   4           HA       ASP   4 -18.777  -0.259   5.940
   30    HB2  ASP   4           2HB      ASP   4 -20.989   0.472   4.831
   31    HB3  ASP   4           1HB      ASP   4 -19.974   1.254   3.624
   32    H    PHE   5           H        PHE   5 -18.098   3.003   5.003
   33    HA   PHE   5           HA       PHE   5 -16.107   2.522   3.025
   34    HB2  PHE   5           2HB      PHE   5 -17.262   4.696   3.396
   35    HB3  PHE   5           1HB      PHE   5 -16.400   4.861   4.911
   36    HD1  PHE   5           1HD      PHE   5 -16.038   4.794   1.240
   37    HD2  PHE   5           2HD      PHE   5 -14.054   5.384   5.002
   38    HE1  PHE   5           1HE      PHE   5 -14.085   5.760   0.059
   39    HE2  PHE   5           2HE      PHE   5 -12.100   6.350   3.825
   40    HZ   PHE   5           HZ       PHE   5 -12.114   6.539   1.349
   41    H    PHE   6           H        PHE   6 -15.984   3.315   6.444
   42    HA   PHE   6           HA       PHE   6 -13.240   3.298   6.855
   43    HB2  PHE   6           2HB      PHE   6 -15.632   2.759   8.561
   44    HB3  PHE   6           1HB      PHE   6 -14.049   2.349   9.216
   45    HD1  PHE   6           2HD      PHE   6 -12.204   4.331   8.525
   46    HD2  PHE   6           1HD      PHE   6 -16.413   4.843   9.228
   47    HE1  PHE   6           2HE      PHE   6 -11.821   6.712   9.088
   48    HE2  PHE   6           1HE      PHE   6 -16.025   7.225   9.794
   49    HZ   PHE   6           HZ       PHE   6 -13.731   8.160   9.723
   50    H    ARG   7           H        ARG   7 -15.511   0.598   6.721
   51    HA   ARG   7           HA       ARG   7 -13.606  -1.389   7.522
   52    HB2  ARG   7           2HB      ARG   7 -16.237  -1.662   6.046
   53    HB3  ARG   7           1HB      ARG   7 -15.321  -2.993   6.751
   54    HG2  ARG   7           2HG      ARG   7 -16.345  -0.609   8.318
   55    HG3  ARG   7           1HG      ARG   7 -17.171  -2.165   8.232
   56    HD2  ARG   7           2HD      ARG   7 -14.632  -2.941   8.925
   57    HD3  ARG   7           1HD      ARG   7 -14.753  -1.393   9.754
   58    HE   ARG   7           HE       ARG   7 -15.828  -3.717  10.726
   59   HH11  ARG   7          1HH2      ARG   7 -17.124  -0.667   9.699
   60   HH12  ARG   7          2HH2      ARG   7 -18.533  -0.784  10.695
   61   HH21  ARG   7          1HH1      ARG   7 -17.666  -3.859  12.032
   62   HH22  ARG   7          2HH1      ARG   7 -18.838  -2.584  12.015
   63    H    LYS   8           H        LYS   8 -14.646  -0.001   4.471
   64    HA   LYS   8           HA       LYS   8 -13.405  -1.956   2.794
   65    HB2  LYS   8           2HB      LYS   8 -15.253  -0.161   2.258
   66    HB3  LYS   8           1HB      LYS   8 -13.869   0.873   1.907
   67    HG2  LYS   8           2HG      LYS   8 -13.012  -0.795   0.310
   68    HG3  LYS   8           1HG      LYS   8 -14.377  -1.851   0.673
   69    HD2  LYS   8           2HD      LYS   8 -15.859   0.167   0.000
   70    HD3  LYS   8           1HD      LYS   8 -14.393   0.816  -0.737
   71    HE2  LYS   8           2HE      LYS   8 -14.177  -1.441  -1.932
   72    HE3  LYS   8           1HE      LYS   8 -15.831  -1.756  -1.410
   73    HZ1  LYS   8           3HZ      LYS   8 -14.959   0.600  -2.993
   74    HZ2  LYS   8           1HZ      LYS   8 -16.550   0.240  -2.533
   75    HZ3  LYS   8           2HZ      LYS   8 -15.735  -0.771  -3.629
   76    H    SER   9           H        SER   9 -12.435   1.228   4.026
   77    HA   SER   9           HA       SER   9  -9.956   1.333   2.626
   78    HB2  SER   9           2HB      SER   9 -10.957   2.765   5.091
   79    HB3  SER   9           1HB      SER   9  -9.398   3.097   4.342
   80    HG   SER   9           HG       SER   9 -11.490   4.288   3.692
   81    H    LYS  10           H        LYS  10 -10.900   0.230   5.855
   82    HA   LYS  10           HA       LYS  10  -8.474  -0.166   7.068
   83    HB2  LYS  10           2HB      LYS  10 -11.063  -1.670   7.151
   84    HB3  LYS  10           1HB      LYS  10  -9.665  -2.334   7.995
   85    HG2  LYS  10           2HG      LYS  10 -10.365   0.564   8.379
   86    HG3  LYS  10           1HG      LYS  10 -11.289  -0.664   9.243
   87    HD2  LYS  10           2HD      LYS  10  -8.290  -0.817   9.292
   88    HD3  LYS  10           1HD      LYS  10  -9.098   0.363  10.322
   89    HE2  LYS  10           2HE      LYS  10 -10.264  -1.305  11.521
   90    HE3  LYS  10           1HE      LYS  10  -9.974  -2.525  10.282
   91    HZ1  LYS  10           3HZ      LYS  10  -8.504  -2.952  12.075
   92    HZ2  LYS  10           1HZ      LYS  10  -7.990  -1.336  12.138
   93    HZ3  LYS  10           2HZ      LYS  10  -7.566  -2.309  10.811
   94    H    GLU  11           H        GLU  11 -10.137  -2.585   5.026
   95    HA   GLU  11           HA       GLU  11  -7.892  -4.344   4.967
   96    HB2  GLU  11           2HB      GLU  11 -10.312  -4.207   3.155
   97    HB3  GLU  11           1HB      GLU  11  -9.167  -5.547   3.230
   98    HG2  GLU  11           2HG      GLU  11 -10.748  -4.548   5.615
   99    HG3  GLU  11           1HG      GLU  11 -11.247  -5.905   4.606
  100    H    LYS  12           H        LYS  12  -8.918  -1.655   3.032
  101    HA   LYS  12           HA       LYS  12  -7.548  -2.137   0.653
  102    HB2  LYS  12           2HB      LYS  12  -9.155  -0.236   1.166
  103    HB3  LYS  12           1HB      LYS  12  -7.795   0.585   1.934
  104    HG2  LYS  12           2HG      LYS  12  -6.528   0.545  -0.137
  105    HG3  LYS  12           1HG      LYS  12  -7.774  -0.430  -0.922
  106    HD2  LYS  12           2HD      LYS  12  -9.400   1.464  -0.431
  107    HD3  LYS  12           1HD      LYS  12  -8.000   2.434   0.029
  108    HE2  LYS  12           2HE      LYS  12  -7.030   2.177  -2.185
  109    HE3  LYS  12           1HE      LYS  12  -8.314   1.065  -2.657
  110    HZ1  LYS  12           3HZ      LYS  12  -9.254   3.589  -1.634
  111    HZ2  LYS  12           1HZ      LYS  12  -9.732   2.733  -3.018
  112    HZ3  LYS  12           2HZ      LYS  12  -8.354   3.724  -3.067
  113    H    ILE  13           H        ILE  13  -6.354  -1.036   3.776
  114    HA   ILE  13           HA       ILE  13  -3.790  -0.235   2.788
  115    HB   ILE  13           HB       ILE  13  -3.232   0.154   5.024
  116   HG12  ILE  13          2HG1      ILE  13  -5.003  -0.860   6.800
  117   HG13  ILE  13          1HG1      ILE  13  -5.058  -2.125   5.583
  118   HG21  ILE  13          1HG2      ILE  13  -6.218   0.408   5.195
  119   HG22  ILE  13          2HG2      ILE  13  -5.295   1.383   4.051
  120   HG23  ILE  13          3HG2      ILE  13  -4.982   1.520   5.782
  121   HD11  ILE  13          3HD1      ILE  13  -2.788  -1.267   7.324
  122   HD12  ILE  13          1HD1      ILE  13  -2.403  -1.884   5.718
  123   HD13  ILE  13          2HD1      ILE  13  -3.289  -2.891   6.860
  124    H    GLY  14           H        GLY  14  -5.156  -3.161   4.166
  125    HA2  GLY  14           2HA      GLY  14  -2.869  -4.653   4.661
  126    HA3  GLY  14           1HA      GLY  14  -4.409  -5.340   4.152
  127    H    LYS  15           H        LYS  15  -4.712  -4.378   1.618
  128    HA   LYS  15           HA       LYS  15  -2.850  -6.020   0.155
  129    HB2  LYS  15           2HB      LYS  15  -4.874  -4.094  -0.996
  130    HB3  LYS  15           1HB      LYS  15  -4.169  -5.508  -1.776
  131    HG2  LYS  15           2HG      LYS  15  -5.771  -6.844  -0.909
  132    HG3  LYS  15           1HG      LYS  15  -5.389  -6.304   0.724
  133    HD2  LYS  15           2HD      LYS  15  -6.822  -4.334   0.430
  134    HD3  LYS  15           1HD      LYS  15  -7.175  -4.822  -1.226
  135    HE2  LYS  15           2HE      LYS  15  -8.934  -5.458   0.512
  136    HE3  LYS  15           1HE      LYS  15  -8.347  -6.777  -0.501
  137    HZ1  LYS  15           3HZ      LYS  15  -7.121  -7.666   1.203
  138    HZ2  LYS  15           1HZ      LYS  15  -8.457  -7.065   2.057
  139    HZ3  LYS  15           2HZ      LYS  15  -6.998  -6.195   2.044
  140    H    GLU  16           H        GLU  16  -3.579  -2.533   0.221
  141    HA   GLU  16           HA       GLU  16  -1.589  -1.763  -1.629
  142    HB2  GLU  16           2HB      GLU  16  -3.088  -0.308   0.538
  143    HB3  GLU  16           1HB      GLU  16  -1.827   0.500  -0.392
  144    HG2  GLU  16           2HG      GLU  16  -4.154   0.777  -1.335
  145    HG3  GLU  16           1HG      GLU  16  -2.984   0.096  -2.463
  146    H    PHE  17           H        PHE  17  -1.550  -1.710   1.947
  147    HA   PHE  17           HA       PHE  17   0.989  -0.707   2.351
  148    HB2  PHE  17           2HB      PHE  17  -0.650  -1.229   4.154
  149    HB3  PHE  17           1HB      PHE  17  -0.271  -2.941   3.954
  150    HD1  PHE  17           2HD      PHE  17   1.910  -3.838   4.602
  151    HD2  PHE  17           1HD      PHE  17   0.979   0.327   5.096
  152    HE1  PHE  17           2HE      PHE  17   3.887  -3.570   6.075
  153    HE2  PHE  17           1HE      PHE  17   2.957   0.594   6.568
  154    HZ   PHE  17           HZ       PHE  17   4.412  -1.355   7.058
  155    H    LYS  18           H        LYS  18   0.050  -4.076   1.721
  156    HA   LYS  18           HA       LYS  18   2.590  -5.239   1.989
  157    HB2  LYS  18           2HB      LYS  18   0.418  -6.479   1.776
  158    HB3  LYS  18           1HB      LYS  18   0.430  -6.098   0.054
  159    HG2  LYS  18           2HG      LYS  18   2.384  -7.378  -0.338
  160    HG3  LYS  18           1HG      LYS  18   2.786  -7.443   1.377
  161    HD2  LYS  18           2HD      LYS  18   1.881  -9.595   0.748
  162    HD3  LYS  18           1HD      LYS  18   0.682  -8.774   1.748
  163    HE2  LYS  18           2HE      LYS  18  -0.643  -8.188  -0.148
  164    HE3  LYS  18           1HE      LYS  18   0.646  -8.615  -1.271
  165    HZ1  LYS  18           3HZ      LYS  18  -0.535 -10.611   0.560
  166    HZ2  LYS  18           1HZ      LYS  18   0.361 -10.875  -0.857
  167    HZ3  LYS  18           2HZ      LYS  18  -1.226 -10.278  -0.957
  168    H    ARG  19           H        ARG  19   0.951  -3.970  -0.911
  169    HA   ARG  19           HA       ARG  19   3.087  -4.477  -2.700
  170    HB2  ARG  19           2HB      ARG  19   0.723  -2.610  -2.757
  171    HB3  ARG  19           1HB      ARG  19   1.918  -2.607  -4.052
  172    HG2  ARG  19           2HG      ARG  19   0.764  -5.236  -3.179
  173    HG3  ARG  19           1HG      ARG  19  -0.219  -4.177  -4.191
  174    HD2  ARG  19           2HD      ARG  19   1.601  -4.073  -5.855
  175    HD3  ARG  19           1HD      ARG  19   2.583  -5.134  -4.849
  176    HE   ARG  19           HE       ARG  19   0.280  -6.555  -5.230
  177   HH11  ARG  19          1HH2      ARG  19   2.562  -4.948  -7.278
  178   HH12  ARG  19          2HH2      ARG  19   2.338  -6.033  -8.610
  179   HH21  ARG  19          1HH1      ARG  19  -0.017  -7.982  -6.973
  180   HH22  ARG  19          2HH1      ARG  19   0.879  -7.750  -8.436
  181    H    ILE  20           H        ILE  20   2.289  -1.757  -0.612
  182    HA   ILE  20           HA       ILE  20   4.151   0.103  -1.622
  183    HB   ILE  20           HB       ILE  20   2.832  -0.266   1.062
  184   HG12  ILE  20          2HG1      ILE  20   2.654   1.993  -0.947
  185   HG13  ILE  20          1HG1      ILE  20   1.600   0.581  -1.004
  186   HG21  ILE  20          1HG2      ILE  20   4.879   0.743   1.705
  187   HG22  ILE  20          2HG2      ILE  20   3.766   2.096   1.506
  188   HG23  ILE  20          3HG2      ILE  20   4.945   1.732   0.245
  189   HD11  ILE  20          3HD1      ILE  20   0.532   1.133   1.001
  190   HD12  ILE  20          1HD1      ILE  20   0.814   2.724   0.296
  191   HD13  ILE  20          2HD1      ILE  20   1.879   2.121   1.564
  192    H    VAL  21           H        VAL  21   4.419  -2.239   1.053
  193    HA   VAL  21           HA       VAL  21   7.004  -1.666   1.889
  194    HB   VAL  21           HB       VAL  21   5.549  -4.315   1.759
  195   HG11  VAL  21          1HG1      VAL  21   7.854  -4.887   1.922
  196   HG12  VAL  21          2HG1      VAL  21   7.255  -4.916   3.579
  197   HG13  VAL  21          3HG1      VAL  21   8.191  -3.536   3.005
  198   HG21  VAL  21          3HG2      VAL  21   4.950  -3.870   4.018
  199   HG22  VAL  21          1HG2      VAL  21   4.683  -2.342   3.176
  200   HG23  VAL  21          2HG2      VAL  21   6.131  -2.567   4.157
  201    H    GLN  22           H        GLN  22   5.946  -3.892  -0.679
  202    HA   GLN  22           HA       GLN  22   8.586  -4.690  -1.413
  203    HB2  GLN  22           2HB      GLN  22   6.242  -5.788  -1.917
  204    HB3  GLN  22           1HB      GLN  22   6.296  -4.762  -3.350
  205    HG2  GLN  22           2HG      GLN  22   8.336  -6.845  -2.523
  206    HG3  GLN  22           1HG      GLN  22   7.269  -6.904  -3.924
  207   HE21  GLN  22          1HE2      GLN  22   7.700  -5.317  -5.689
  208   HE22  GLN  22          2HE2      GLN  22   9.250  -4.644  -5.854
  209    H    ARG  23           H        ARG  23   6.315  -2.259  -2.630
  210    HA   ARG  23           HA       ARG  23   7.798  -1.430  -4.874
  211    HB2  ARG  23           2HB      ARG  23   5.401  -0.835  -4.336
  212    HB3  ARG  23           1HB      ARG  23   6.029   0.334  -3.173
  213    HG2  ARG  23           2HG      ARG  23   7.376   1.357  -5.036
  214    HG3  ARG  23           1HG      ARG  23   6.540   0.285  -6.159
  215    HD2  ARG  23           2HD      ARG  23   4.436   1.369  -4.765
  216    HD3  ARG  23           1HD      ARG  23   5.562   2.721  -4.799
  217    HE   ARG  23           HE       ARG  23   3.939   2.052  -6.903
  218   HH11  ARG  23          1HH2      ARG  23   7.370   2.185  -6.407
  219   HH12  ARG  23          2HH2      ARG  23   7.732   2.443  -8.078
  220   HH21  ARG  23          1HH1      ARG  23   4.419   2.398  -9.084
  221   HH22  ARG  23          2HH1      ARG  23   6.066   2.567  -9.590
  222    H    ILE  24           H        ILE  24   7.866  -0.366  -1.493
  223    HA   ILE  24           HA       ILE  24   9.600   1.825  -1.808
  224    HB   ILE  24           HB       ILE  24   9.088  -0.031   0.521
  225   HG12  ILE  24          2HG1      ILE  24   8.392   2.893   0.165
  226   HG13  ILE  24          1HG1      ILE  24   7.319   1.600  -0.373
  227   HG21  ILE  24          1HG2      ILE  24  11.280   0.784   0.952
  228   HG22  ILE  24          2HG2      ILE  24  10.214   1.877   1.834
  229   HG23  ILE  24          3HG2      ILE  24  10.904   2.375   0.288
  230   HD11  ILE  24          3HD1      ILE  24   6.745   2.384   1.913
  231   HD12  ILE  24          1HD1      ILE  24   8.361   1.930   2.456
  232   HD13  ILE  24          2HD1      ILE  24   7.235   0.689   1.902
  233    H    LYS  25           H        LYS  25  10.359  -1.540  -0.868
  234    HA   LYS  25           HA       LYS  25  13.094  -1.350  -0.629
  235    HB2  LYS  25           2HB      LYS  25  11.412  -3.404  -0.454
  236    HB3  LYS  25           1HB      LYS  25  11.993  -3.722  -2.086
  237    HG2  LYS  25           2HG      LYS  25  13.575  -4.892  -0.849
  238    HG3  LYS  25           1HG      LYS  25  14.370  -3.322  -0.970
  239    HD2  LYS  25           2HD      LYS  25  13.258  -2.714   1.234
  240    HD3  LYS  25           1HD      LYS  25  12.779  -4.406   1.366
  241    HE2  LYS  25           2HE      LYS  25  15.610  -3.340   1.173
  242    HE3  LYS  25           1HE      LYS  25  14.863  -4.094   2.580
  243    HZ1  LYS  25           3HZ      LYS  25  16.280  -5.618   1.282
  244    HZ2  LYS  25           1HZ      LYS  25  15.232  -5.439  -0.040
  245    HZ3  LYS  25           2HZ      LYS  25  14.670  -6.147   1.399
  246    H    ASP  26           H        ASP  26  11.162  -1.551  -3.569
  247    HA   ASP  26           HA       ASP  26  13.416  -1.798  -5.333
  248    HB2  ASP  26           2HB      ASP  26  10.945  -2.447  -5.766
  249    HB3  ASP  26           1HB      ASP  26  10.713  -0.741  -6.136
  250    H    PHE  27           H        PHE  27  11.626   0.812  -3.875
  251    HA   PHE  27           HA       PHE  27  12.304   2.924  -5.577
  252    HB2  PHE  27           2HB      PHE  27  10.705   2.906  -3.558
  253    HB3  PHE  27           1HB      PHE  27  12.138   3.230  -2.586
  254    HD1  PHE  27           1HD      PHE  27  10.509   4.425  -5.748
  255    HD2  PHE  27           2HD      PHE  27  12.727   5.462  -2.218
  256    HE1  PHE  27           1HE      PHE  27  10.382   6.822  -6.372
  257    HE2  PHE  27           2HE      PHE  27  12.599   7.859  -2.843
  258    HZ   PHE  27           HZ       PHE  27  11.427   8.538  -4.921
  259    H    LEU  28           H        LEU  28  14.002   1.858  -2.595
  260    HA   LEU  28           HA       LEU  28  16.104   3.652  -2.663
  261    HB2  LEU  28           2HB      LEU  28  16.325   0.726  -1.918
  262    HB3  LEU  28           1HB      LEU  28  17.394   2.023  -1.400
  263    HG   LEU  28           HG       LEU  28  15.899   1.648   0.412
  264   HD11  LEU  28          1HD1      LEU  28  14.932   3.775   0.718
  265   HD12  LEU  28          2HD1      LEU  28  14.585   3.959  -1.000
  266   HD13  LEU  28          3HD1      LEU  28  16.248   4.064  -0.420
  267   HD21  LEU  28          3HD2      LEU  28  13.377   2.180  -1.007
  268   HD22  LEU  28          1HD2      LEU  28  13.737   0.994   0.243
  269   HD23  LEU  28          2HD2      LEU  28  14.144   0.651  -1.437
  270    H    ARG  29           H        ARG  29  15.678   0.686  -4.522
  271    HA   ARG  29           HA       ARG  29  18.305   0.768  -5.683
  272    HB2  ARG  29           2HB      ARG  29  16.864  -1.305  -5.414
  273    HB3  ARG  29           1HB      ARG  29  15.886  -0.697  -6.749
  274    HG2  ARG  29           2HG      ARG  29  17.404  -2.034  -7.900
  275    HG3  ARG  29           1HG      ARG  29  18.223  -0.475  -7.966
  276    HD2  ARG  29           2HD      ARG  29  19.961  -1.789  -7.192
  277    HD3  ARG  29           1HD      ARG  29  19.250  -1.315  -5.653
  278    HE   ARG  29           HE       ARG  29  17.920  -3.614  -6.303
  279   HH11  ARG  29          1HH2      ARG  29  21.236  -2.661  -6.042
  280   HH12  ARG  29          2HH2      ARG  29  21.793  -4.229  -5.562
  281   HH21  ARG  29          1HH1      ARG  29  18.644  -5.674  -5.675
  282   HH22  ARG  29          2HH1      ARG  29  20.326  -5.934  -5.355
  283    H    ASN  30           H        ASN  30  15.172   2.091  -6.461
  284    HA   ASN  30           HA       ASN  30  16.116   2.959  -9.110
  285    HB2  ASN  30           2HB      ASN  30  13.389   2.924  -7.813
  286    HB3  ASN  30           1HB      ASN  30  13.710   3.717  -9.355
  287   HD21  ASN  30          1HD2      ASN  30  14.634   0.540  -7.888
  288   HD22  ASN  30          2HD2      ASN  30  14.202  -0.370  -9.254
  289    H    LEU  31           H        LEU  31  16.362   4.079  -6.058
  290    HA   LEU  31           HA       LEU  31  15.439   6.761  -6.286
  291    HB2  LEU  31           2HB      LEU  31  16.989   5.174  -4.365
  292    HB3  LEU  31           1HB      LEU  31  17.529   6.848  -4.459
  293    HG   LEU  31           HG       LEU  31  14.663   5.957  -4.005
  294   HD11  LEU  31          1HD1      LEU  31  14.973   6.263  -1.746
  295   HD12  LEU  31          2HD1      LEU  31  16.208   7.499  -1.971
  296   HD13  LEU  31          3HD1      LEU  31  16.622   5.798  -2.157
  297   HD21  LEU  31          3HD2      LEU  31  14.242   8.047  -4.815
  298   HD22  LEU  31          1HD2      LEU  31  15.926   8.549  -4.664
  299   HD23  LEU  31          2HD2      LEU  31  14.859   8.606  -3.262
  300    H    VAL  32           H        VAL  32  17.983   5.134  -7.769
  301    HA   VAL  32           HA       VAL  32  19.614   7.559  -8.092
  302    HB   VAL  32           HB       VAL  32  21.108   5.835  -9.355
  303   HG11  VAL  32          1HG1      VAL  32  20.627   5.701  -6.363
  304   HG12  VAL  32          2HG1      VAL  32  21.695   6.829  -7.197
  305   HG13  VAL  32          3HG1      VAL  32  22.073   5.107  -7.181
  306   HG21  VAL  32          3HG2      VAL  32  19.373   3.997  -7.673
  307   HG22  VAL  32          1HG2      VAL  32  20.777   3.523  -8.629
  308   HG23  VAL  32          2HG2      VAL  32  19.314   4.091  -9.432
  309    HA   PRO  33           HA       PRO  33  17.475   7.776 -12.084
  310    HB2  PRO  33           2HB      PRO  33  17.916  10.398 -12.567
  311    HB3  PRO  33           1HB      PRO  33  16.715   9.855 -11.378
  312    HG2  PRO  33           2HG      PRO  33  19.459  10.921 -10.943
  313    HG3  PRO  33           1HG      PRO  33  17.981  11.189 -10.004
  314    HD2  PRO  33           2HD      PRO  33  19.993   9.385  -9.314
  315    HD3  PRO  33           1HD      PRO  33  18.319   9.317  -8.717
  316    H    ARG  34           H        ARG  34  20.730   8.919 -11.351
  317    HA   ARG  34           HA       ARG  34  21.772   9.441 -13.846
  318    HB2  ARG  34           2HB      ARG  34  23.162   7.949 -11.606
  319    HB3  ARG  34           1HB      ARG  34  23.950   8.804 -12.932
  320    HG2  ARG  34           2HG      ARG  34  23.186  10.923 -12.160
  321    HG3  ARG  34           1HG      ARG  34  22.024  10.185 -11.058
  322    HD2  ARG  34           2HD      ARG  34  24.014  11.010  -9.845
  323    HD3  ARG  34           1HD      ARG  34  23.859   9.260  -9.714
  324    HE   ARG  34           HE       ARG  34  25.486   9.608 -11.885
  325   HH11  ARG  34          1HH2      ARG  34  25.463  10.713  -8.605
  326   HH12  ARG  34          2HH2      ARG  34  27.189  10.800  -8.477
  327   HH21  ARG  34          1HH1      ARG  34  27.749   9.719 -11.724
  328   HH22  ARG  34          2HH1      ARG  34  28.482  10.237 -10.243
  329    H    THR  35           H        THR  35  20.440   6.526 -12.776
  330    HA   THR  35           HA       THR  35  22.043   4.734 -14.360
  331    HB   THR  35           HB       THR  35  19.270   4.021 -13.492
  332    HG1  THR  35           1HG      THR  35  20.982   3.628 -11.497
  333   HG21  THR  35          3HG2      THR  35  20.169   1.880 -13.277
  334   HG22  THR  35          1HG2      THR  35  21.795   2.485 -12.967
  335   HG23  THR  35          2HG2      THR  35  21.137   2.525 -14.603
  336    H    GLU  36           H        GLU  36  19.743   3.235 -15.384
  337    HA   GLU  36           HA       GLU  36  19.644   4.291 -17.998
  338    HB2  GLU  36           2HB      GLU  36  17.903   2.233 -16.625
  339    HB3  GLU  36           1HB      GLU  36  17.853   2.579 -18.355
  340    HG2  GLU  36           2HG      GLU  36  20.051   1.792 -18.700
  341    HG3  GLU  36           1HG      GLU  36  20.451   1.897 -16.986
  342    H    SER  37           H        SER  37  18.026   5.360 -19.124
  343    HA   SER  37           HA       SER  37  16.346   7.096 -17.530
  344    HB2  SER  37           2HB      SER  37  17.486   7.981 -19.507
  345    HB3  SER  37           1HB      SER  37  16.647   6.819 -20.530
  346    HG   SER  37           HG       SER  37  15.823   9.184 -19.930
  Start of MODEL    3
    1    H1   LEU   1           1HT      LEU   1 -25.580   2.153   5.862
    2    H2   LEU   1           2HT      LEU   1 -24.736   3.200   4.823
    3    H3   LEU   1           3HT      LEU   1 -24.476   3.271   6.501
    4    HA   LEU   1           HA       LEU   1 -23.599   0.979   6.430
    5    HB2  LEU   1           2HB      LEU   1 -22.872   0.300   4.049
    6    HB3  LEU   1           1HB      LEU   1 -24.571   0.081   4.465
    7    HG   LEU   1           HG       LEU   1 -23.813   2.728   3.316
    8   HD11  LEU   1          2HD1      LEU   1 -23.838   0.143   1.740
    9   HD12  LEU   1          3HD1      LEU   1 -22.551   1.346   1.815
   10   HD13  LEU   1          1HD1      LEU   1 -24.066   1.724   0.994
   11   HD21  LEU   1          1HD2      LEU   1 -26.087   0.893   2.548
   12   HD22  LEU   1          2HD2      LEU   1 -26.015   2.653   2.448
   13   HD23  LEU   1          3HD2      LEU   1 -26.156   1.864   4.018
   14    H    LEU   2           H        LEU   2 -22.914   3.796   6.729
   15    HA   LEU   2           HA       LEU   2 -20.534   4.320   5.230
   16    HB2  LEU   2           2HB      LEU   2 -22.161   5.946   6.570
   17    HB3  LEU   2           1HB      LEU   2 -21.020   5.627   7.873
   18    HG   LEU   2           HG       LEU   2 -20.330   7.622   6.637
   19   HD11  LEU   2          1HD1      LEU   2 -18.072   7.064   6.414
   20   HD12  LEU   2          2HD1      LEU   2 -18.424   5.485   5.727
   21   HD13  LEU   2          3HD1      LEU   2 -18.665   5.767   7.448
   22   HD21  LEU   2          3HD2      LEU   2 -19.672   6.136   4.150
   23   HD22  LEU   2          1HD2      LEU   2 -20.275   7.779   4.356
   24   HD23  LEU   2          2HD2      LEU   2 -21.391   6.417   4.425
   25    H    GLY   3           H        GLY   3 -21.216   3.146   8.477
   26    HA2  GLY   3           2HA      GLY   3 -18.593   2.943   9.435
   27    HA3  GLY   3           1HA      GLY   3 -19.927   1.902   9.940
   28    H    ASP   4           H        ASP   4 -20.485   0.881   7.321
   29    HA   ASP   4           HA       ASP   4 -18.616  -1.294   7.236
   30    HB2  ASP   4           2HB      ASP   4 -21.093  -1.403   6.682
   31    HB3  ASP   4           1HB      ASP   4 -20.704  -0.599   5.165
   32    H    PHE   5           H        PHE   5 -19.127   1.671   5.473
   33    HA   PHE   5           HA       PHE   5 -17.468   1.125   3.228
   34    HB2  PHE   5           2HB      PHE   5 -19.145   2.958   3.346
   35    HB3  PHE   5           1HB      PHE   5 -18.128   3.774   4.513
   36    HD1  PHE   5           2HD      PHE   5 -17.614   2.068   1.203
   37    HD2  PHE   5           1HD      PHE   5 -16.862   5.515   3.653
   38    HE1  PHE   5           2HE      PHE   5 -16.287   3.082  -0.626
   39    HE2  PHE   5           1HE      PHE   5 -15.537   6.528   1.826
   40    HZ   PHE   5           HZ       PHE   5 -15.247   5.312  -0.319
   41    H    PHE   6           H        PHE   6 -16.978   2.919   6.210
   42    HA   PHE   6           HA       PHE   6 -14.286   3.607   5.866
   43    HB2  PHE   6           2HB      PHE   6 -16.182   3.405   8.131
   44    HB3  PHE   6           1HB      PHE   6 -14.476   3.318   8.571
   45    HD1  PHE   6           1HD      PHE   6 -16.092   5.172   5.759
   46    HD2  PHE   6           2HD      PHE   6 -13.998   5.439   9.496
   47    HE1  PHE   6           1HE      PHE   6 -15.895   7.628   5.473
   48    HE2  PHE   6           2HE      PHE   6 -13.800   7.895   9.214
   49    HZ   PHE   6           HZ       PHE   6 -14.748   8.990   7.201
   50    H    ARG   7           H        ARG   7 -15.685   0.809   7.582
   51    HA   ARG   7           HA       ARG   7 -13.291  -0.431   8.318
   52    HB2  ARG   7           2HB      ARG   7 -15.914  -1.739   7.556
   53    HB3  ARG   7           1HB      ARG   7 -14.616  -2.496   8.477
   54    HG2  ARG   7           2HG      ARG   7 -15.604   0.123   9.502
   55    HG3  ARG   7           1HG      ARG   7 -16.709  -1.241   9.654
   56    HD2  ARG   7           2HD      ARG   7 -14.912  -2.545  10.770
   57    HD3  ARG   7           1HD      ARG   7 -13.855  -1.138  10.671
   58    HE   ARG   7           HE       ARG   7 -16.069  -0.184  11.953
   59   HH11  ARG   7          1HH2      ARG   7 -13.936  -2.874  12.387
   60   HH12  ARG   7          2HH2      ARG   7 -14.115  -2.916  14.109
   61   HH21  ARG   7          1HH1      ARG   7 -16.309  -0.231  14.211
   62   HH22  ARG   7          2HH1      ARG   7 -15.459  -1.419  15.142
   63    H    LYS   8           H        LYS   8 -15.080  -0.492   5.286
   64    HA   LYS   8           HA       LYS   8 -13.628  -2.610   4.069
   65    HB2  LYS   8           2HB      LYS   8 -15.882  -1.549   3.363
   66    HB3  LYS   8           1HB      LYS   8 -14.891  -0.343   2.541
   67    HG2  LYS   8           2HG      LYS   8 -13.804  -2.058   1.212
   68    HG3  LYS   8           1HG      LYS   8 -14.616  -3.334   2.121
   69    HD2  LYS   8           2HD      LYS   8 -16.819  -2.316   1.359
   70    HD3  LYS   8           1HD      LYS   8 -15.878  -1.309   0.259
   71    HE2  LYS   8           2HE      LYS   8 -15.035  -3.223  -0.914
   72    HE3  LYS   8           1HE      LYS   8 -15.658  -4.327   0.313
   73    HZ1  LYS   8           3HZ      LYS   8 -17.009  -4.087  -1.791
   74    HZ2  LYS   8           1HZ      LYS   8 -17.431  -2.540  -1.240
   75    HZ3  LYS   8           2HZ      LYS   8 -17.853  -3.910  -0.327
   76    H    SER   9           H        SER   9 -13.319   0.933   3.868
   77    HA   SER   9           HA       SER   9 -11.169   1.028   2.075
   78    HB2  SER   9           2HB      SER   9 -11.546   2.960   4.360
   79    HB3  SER   9           1HB      SER   9 -10.860   3.276   2.768
   80    HG   SER   9           HG       SER   9 -12.817   3.746   2.192
   81    H    LYS  10           H        LYS  10 -11.254   0.582   5.572
   82    HA   LYS  10           HA       LYS  10  -8.588   0.934   6.221
   83    HB2  LYS  10           2HB      LYS  10 -10.883  -0.236   7.439
   84    HB3  LYS  10           1HB      LYS  10  -9.566  -1.395   7.603
   85    HG2  LYS  10           2HG      LYS  10  -9.384   0.006   9.512
   86    HG3  LYS  10           1HG      LYS  10  -8.139   0.592   8.409
   87    HD2  LYS  10           2HD      LYS  10  -9.965   2.230   7.553
   88    HD3  LYS  10           1HD      LYS  10 -10.822   1.821   9.040
   89    HE2  LYS  10           2HE      LYS  10  -7.979   2.870   8.920
   90    HE3  LYS  10           1HE      LYS  10  -9.396   3.847   9.298
   91    HZ1  LYS  10           3HZ      LYS  10  -9.696   2.810  11.300
   92    HZ2  LYS  10           1HZ      LYS  10  -8.004   2.776  11.193
   93    HZ3  LYS  10           2HZ      LYS  10  -8.905   1.385  10.821
   94    H    GLU  11           H        GLU  11 -10.169  -1.947   4.870
   95    HA   GLU  11           HA       GLU  11  -7.786  -3.519   4.852
   96    HB2  GLU  11           2HB      GLU  11 -10.341  -3.861   3.270
   97    HB3  GLU  11           1HB      GLU  11  -9.079  -5.079   3.456
   98    HG2  GLU  11           2HG      GLU  11 -10.381  -3.837   5.875
   99    HG3  GLU  11           1HG      GLU  11 -11.144  -5.187   5.039
  100    H    LYS  12           H        LYS  12  -9.354  -1.404   2.554
  101    HA   LYS  12           HA       LYS  12  -7.984  -2.115   0.230
  102    HB2  LYS  12           2HB      LYS  12  -9.076   0.546   1.148
  103    HB3  LYS  12           1HB      LYS  12  -8.382   0.300  -0.451
  104    HG2  LYS  12           2HG      LYS  12 -10.505  -1.588   0.534
  105    HG3  LYS  12           1HG      LYS  12 -10.977  -0.007  -0.086
  106    HD2  LYS  12           2HD      LYS  12  -9.611  -0.524  -2.162
  107    HD3  LYS  12           1HD      LYS  12  -9.446  -2.172  -1.552
  108    HE2  LYS  12           2HE      LYS  12 -11.909  -0.745  -2.508
  109    HE3  LYS  12           1HE      LYS  12 -11.342  -2.369  -2.896
  110    HZ1  LYS  12           3HZ      LYS  12 -12.595  -1.426  -0.385
  111    HZ2  LYS  12           1HZ      LYS  12 -11.758  -2.897  -0.483
  112    HZ3  LYS  12           2HZ      LYS  12 -13.140  -2.644  -1.437
  113    H    ILE  13           H        ILE  13  -6.920  -0.223   3.000
  114    HA   ILE  13           HA       ILE  13  -4.609   0.814   1.655
  115    HB   ILE  13           HB       ILE  13  -4.273   2.031   3.536
  116   HG12  ILE  13          2HG1      ILE  13  -5.174  -0.284   5.269
  117   HG13  ILE  13          1HG1      ILE  13  -3.500   0.044   4.843
  118   HG21  ILE  13          1HG2      ILE  13  -6.303   2.635   4.566
  119   HG22  ILE  13          2HG2      ILE  13  -6.947   0.999   4.448
  120   HG23  ILE  13          3HG2      ILE  13  -6.790   1.991   2.999
  121   HD11  ILE  13          3HD1      ILE  13  -5.346   1.883   6.383
  122   HD12  ILE  13          1HD1      ILE  13  -3.714   2.305   5.865
  123   HD13  ILE  13          2HD1      ILE  13  -3.960   1.004   7.030
  124    H    GLY  14           H        GLY  14  -5.159  -1.690   4.115
  125    HA2  GLY  14           2HA      GLY  14  -2.626  -2.625   4.536
  126    HA3  GLY  14           1HA      GLY  14  -4.034  -3.681   4.479
  127    H    LYS  15           H        LYS  15  -4.646  -3.132   1.687
  128    HA   LYS  15           HA       LYS  15  -2.878  -5.074   0.507
  129    HB2  LYS  15           2HB      LYS  15  -5.347  -4.879   0.022
  130    HB3  LYS  15           1HB      LYS  15  -4.987  -3.410  -0.884
  131    HG2  LYS  15           2HG      LYS  15  -3.302  -5.751  -1.588
  132    HG3  LYS  15           1HG      LYS  15  -5.010  -5.916  -1.988
  133    HD2  LYS  15           2HD      LYS  15  -4.987  -4.056  -3.425
  134    HD3  LYS  15           1HD      LYS  15  -3.515  -3.401  -2.711
  135    HE2  LYS  15           2HE      LYS  15  -3.415  -4.649  -5.040
  136    HE3  LYS  15           1HE      LYS  15  -2.134  -4.890  -3.850
  137    HZ1  LYS  15           3HZ      LYS  15  -3.415  -6.895  -4.973
  138    HZ2  LYS  15           1HZ      LYS  15  -4.466  -6.633  -3.669
  139    HZ3  LYS  15           2HZ      LYS  15  -2.826  -6.975  -3.382
  140    H    GLU  16           H        GLU  16  -3.584  -1.621  -0.157
  141    HA   GLU  16           HA       GLU  16  -1.529  -1.419  -2.135
  142    HB2  GLU  16           2HB      GLU  16  -2.177   0.797  -2.368
  143    HB3  GLU  16           1HB      GLU  16  -3.654   0.076  -1.729
  144    HG2  GLU  16           2HG      GLU  16  -2.706   0.685   0.596
  145    HG3  GLU  16           1HG      GLU  16  -1.599   1.728  -0.279
  146    H    PHE  17           H        PHE  17  -1.702  -0.985   1.332
  147    HA   PHE  17           HA       PHE  17   0.756   0.425   1.610
  148    HB2  PHE  17           2HB      PHE  17  -1.250  -0.043   3.322
  149    HB3  PHE  17           1HB      PHE  17  -0.183  -1.356   3.812
  150    HD1  PHE  17           1HD      PHE  17  -0.320   2.327   3.235
  151    HD2  PHE  17           2HD      PHE  17   1.751  -0.928   5.124
  152    HE1  PHE  17           1HE      PHE  17   1.062   3.945   4.505
  153    HE2  PHE  17           2HE      PHE  17   3.133   0.690   6.394
  154    HZ   PHE  17           HZ       PHE  17   2.792   3.127   6.085
  155    H    LYS  18           H        LYS  18  -0.143  -2.968   1.433
  156    HA   LYS  18           HA       LYS  18   2.354  -4.043   2.264
  157    HB2  LYS  18           2HB      LYS  18   0.124  -5.281   2.002
  158    HB3  LYS  18           1HB      LYS  18   0.488  -5.338   0.277
  159    HG2  LYS  18           2HG      LYS  18   2.515  -6.573   0.657
  160    HG3  LYS  18           1HG      LYS  18   2.415  -6.317   2.398
  161    HD2  LYS  18           2HD      LYS  18   1.604  -8.504   2.142
  162    HD3  LYS  18           1HD      LYS  18   0.129  -7.544   2.226
  163    HE2  LYS  18           2HE      LYS  18  -0.079  -7.558  -0.198
  164    HE3  LYS  18           1HE      LYS  18   1.476  -8.373  -0.361
  165    HZ1  LYS  18           3HZ      LYS  18   0.079  -9.952   1.360
  166    HZ2  LYS  18           1HZ      LYS  18   0.315 -10.250  -0.293
  167    HZ3  LYS  18           2HZ      LYS  18  -1.098  -9.468   0.235
  168    H    ARG  19           H        ARG  19   1.106  -2.739  -0.711
  169    HA   ARG  19           HA       ARG  19   3.096  -3.743  -2.472
  170    HB2  ARG  19           2HB      ARG  19   0.882  -2.755  -3.153
  171    HB3  ARG  19           1HB      ARG  19   1.542  -1.167  -2.764
  172    HG2  ARG  19           2HG      ARG  19   3.225  -1.343  -4.448
  173    HG3  ARG  19           1HG      ARG  19   2.917  -3.065  -4.674
  174    HD2  ARG  19           2HD      ARG  19   1.900  -1.289  -6.357
  175    HD3  ARG  19           1HD      ARG  19   0.967  -2.703  -5.876
  176    HE   ARG  19           HE       ARG  19   0.299  -0.823  -4.009
  177   HH11  ARG  19          1HH2      ARG  19   0.361  -0.961  -7.465
  178   HH12  ARG  19          2HH2      ARG  19  -0.967   0.132  -7.671
  179   HH21  ARG  19          1HH1      ARG  19  -1.443   0.611  -4.269
  180   HH22  ARG  19          2HH1      ARG  19  -1.988   1.022  -5.861
  181    H    ILE  20           H        ILE  20   2.837  -0.687  -0.630
  182    HA   ILE  20           HA       ILE  20   5.138   0.522  -1.689
  183    HB   ILE  20           HB       ILE  20   5.113   2.001   0.217
  184   HG12  ILE  20          2HG1      ILE  20   2.891   0.708   1.650
  185   HG13  ILE  20          1HG1      ILE  20   4.389  -0.203   1.731
  186   HG21  ILE  20          1HG2      ILE  20   3.339   2.232  -1.499
  187   HG22  ILE  20          2HG2      ILE  20   2.801   2.777   0.089
  188   HG23  ILE  20          3HG2      ILE  20   2.287   1.205  -0.525
  189   HD11  ILE  20          3HD1      ILE  20   5.575   1.684   2.640
  190   HD12  ILE  20          1HD1      ILE  20   4.092   1.495   3.574
  191   HD13  ILE  20          2HD1      ILE  20   4.203   2.752   2.343
  192    H    VAL  21           H        VAL  21   4.751  -1.886   0.830
  193    HA   VAL  21           HA       VAL  21   7.323  -1.744   1.970
  194    HB   VAL  21           HB       VAL  21   5.484  -4.125   1.633
  195   HG11  VAL  21          1HG1      VAL  21   6.820  -4.934   3.661
  196   HG12  VAL  21          2HG1      VAL  21   7.998  -3.685   3.257
  197   HG13  VAL  21          3HG1      VAL  21   7.661  -4.982   2.111
  198   HG21  VAL  21          3HG2      VAL  21   5.909  -2.132   3.882
  199   HG22  VAL  21          1HG2      VAL  21   4.931  -3.593   4.017
  200   HG23  VAL  21          2HG2      VAL  21   4.455  -2.313   2.901
  201    H    GLN  22           H        GLN  22   6.073  -3.756  -0.689
  202    HA   GLN  22           HA       GLN  22   8.590  -4.976  -1.262
  203    HB2  GLN  22           2HB      GLN  22   6.458  -6.017  -1.903
  204    HB3  GLN  22           1HB      GLN  22   6.132  -4.678  -3.006
  205    HG2  GLN  22           2HG      GLN  22   7.998  -5.248  -4.395
  206    HG3  GLN  22           1HG      GLN  22   8.621  -6.386  -3.201
  207   HE21  GLN  22          1HE2      GLN  22   5.320  -6.781  -3.118
  208   HE22  GLN  22          2HE2      GLN  22   5.164  -8.038  -4.246
  209    H    ARG  23           H        ARG  23   6.806  -2.245  -2.664
  210    HA   ARG  23           HA       ARG  23   8.526  -1.702  -4.810
  211    HB2  ARG  23           2HB      ARG  23   6.318  -0.671  -4.602
  212    HB3  ARG  23           1HB      ARG  23   6.857   0.223  -3.181
  213    HG2  ARG  23           2HG      ARG  23   8.380   1.535  -4.441
  214    HG3  ARG  23           1HG      ARG  23   8.288   0.450  -5.830
  215    HD2  ARG  23           2HD      ARG  23   6.903   2.748  -5.732
  216    HD3  ARG  23           1HD      ARG  23   6.280   1.318  -6.552
  217    HE   ARG  23           HE       ARG  23   5.387   1.023  -3.989
  218   HH11  ARG  23          1HH2      ARG  23   5.274   3.538  -6.362
  219   HH12  ARG  23          2HH2      ARG  23   3.756   4.171  -5.820
  220   HH21  ARG  23          1HH1      ARG  23   3.396   1.846  -3.272
  221   HH22  ARG  23          2HH1      ARG  23   2.693   3.214  -4.070
  222    H    ILE  24           H        ILE  24   8.694  -0.750  -1.415
  223    HA   ILE  24           HA       ILE  24  10.677   1.209  -1.572
  224    HB   ILE  24           HB       ILE  24   9.883  -0.770   0.548
  225   HG12  ILE  24          2HG1      ILE  24  10.005   2.235   0.749
  226   HG13  ILE  24          1HG1      ILE  24   8.674   1.462  -0.109
  227   HG21  ILE  24          1HG2      ILE  24  12.202  -0.636   1.007
  228   HG22  ILE  24          2HG2      ILE  24  11.491   0.603   2.040
  229   HG23  ILE  24          3HG2      ILE  24  12.285   1.061   0.534
  230   HD11  ILE  24          3HD1      ILE  24   9.380   0.402   2.596
  231   HD12  ILE  24          1HD1      ILE  24   7.807   0.509   1.805
  232   HD13  ILE  24          2HD1      ILE  24   8.539   1.950   2.511
  233    H    LYS  25           H        LYS  25  11.037  -2.312  -1.137
  234    HA   LYS  25           HA       LYS  25  13.787  -2.490  -0.970
  235    HB2  LYS  25           2HB      LYS  25  12.133  -4.392  -2.636
  236    HB3  LYS  25           1HB      LYS  25  13.587  -4.745  -1.701
  237    HG2  LYS  25           2HG      LYS  25  12.253  -4.015   0.364
  238    HG3  LYS  25           1HG      LYS  25  10.822  -4.101  -0.666
  239    HD2  LYS  25           2HD      LYS  25  11.476  -6.468  -1.241
  240    HD3  LYS  25           1HD      LYS  25  12.737  -6.356  -0.014
  241    HE2  LYS  25           2HE      LYS  25  10.872  -5.662   1.610
  242    HE3  LYS  25           1HE      LYS  25   9.745  -6.222   0.375
  243    HZ1  LYS  25           3HZ      LYS  25  10.645  -7.830   2.216
  244    HZ2  LYS  25           1HZ      LYS  25  11.950  -7.987   1.146
  245    HZ3  LYS  25           2HZ      LYS  25  10.379  -8.377   0.630
  246    H    ASP  26           H        ASP  26  11.772  -2.204  -3.872
  247    HA   ASP  26           HA       ASP  26  13.987  -2.308  -5.698
  248    HB2  ASP  26           2HB      ASP  26  11.526  -2.878  -6.180
  249    HB3  ASP  26           1HB      ASP  26  11.275  -1.137  -6.294
  250    H    PHE  27           H        PHE  27  12.161   0.225  -4.077
  251    HA   PHE  27           HA       PHE  27  12.920   2.460  -5.533
  252    HB2  PHE  27           2HB      PHE  27  11.295   2.500  -3.672
  253    HB3  PHE  27           1HB      PHE  27  12.614   2.263  -2.528
  254    HD1  PHE  27           2HD      PHE  27  11.838   4.484  -5.462
  255    HD2  PHE  27           1HD      PHE  27  13.422   4.174  -1.480
  256    HE1  PHE  27           2HE      PHE  27  12.261   6.927  -5.439
  257    HE2  PHE  27           1HE      PHE  27  13.841   6.618  -1.457
  258    HZ   PHE  27           HZ       PHE  27  13.262   7.994  -3.437
  259    H    LEU  28           H        LEU  28  14.599   1.069  -2.704
  260    HA   LEU  28           HA       LEU  28  16.762   2.792  -2.592
  261    HB2  LEU  28           2HB      LEU  28  16.493  -0.140  -1.952
  262    HB3  LEU  28           1HB      LEU  28  18.021   0.709  -1.726
  263    HG   LEU  28           HG       LEU  28  16.650   2.443  -0.386
  264   HD11  LEU  28          1HD1      LEU  28  14.709   0.118  -0.504
  265   HD12  LEU  28          2HD1      LEU  28  14.415   1.776  -1.030
  266   HD13  LEU  28          3HD1      LEU  28  14.610   1.416   0.684
  267   HD21  LEU  28          3HD2      LEU  28  16.696   0.956   1.652
  268   HD22  LEU  28          1HD2      LEU  28  18.195   0.950   0.722
  269   HD23  LEU  28          2HD2      LEU  28  17.066  -0.397   0.584
  270    H    ARG  29           H        ARG  29  16.284  -0.032  -4.668
  271    HA   ARG  29           HA       ARG  29  18.909   0.148  -5.845
  272    HB2  ARG  29           2HB      ARG  29  16.444  -1.367  -6.740
  273    HB3  ARG  29           1HB      ARG  29  18.066  -1.570  -7.402
  274    HG2  ARG  29           2HG      ARG  29  18.804  -2.041  -4.977
  275    HG3  ARG  29           1HG      ARG  29  17.087  -2.231  -4.624
  276    HD2  ARG  29           2HD      ARG  29  17.036  -3.868  -6.608
  277    HD3  ARG  29           1HD      ARG  29  18.795  -3.856  -6.509
  278    HE   ARG  29           HE       ARG  29  18.005  -4.394  -3.948
  279   HH11  ARG  29          1HH2      ARG  29  17.329  -5.712  -7.074
  280   HH12  ARG  29          2HH2      ARG  29  17.077  -7.324  -6.495
  281   HH21  ARG  29          1HH1      ARG  29  17.675  -6.506  -3.178
  282   HH22  ARG  29          2HH1      ARG  29  17.272  -7.773  -4.287
  283    H    ASN  30           H        ASN  30  15.661   1.244  -6.659
  284    HA   ASN  30           HA       ASN  30  16.560   2.307  -9.232
  285    HB2  ASN  30           2HB      ASN  30  13.872   2.174  -7.865
  286    HB3  ASN  30           1HB      ASN  30  14.132   3.047  -9.374
  287   HD21  ASN  30          1HD2      ASN  30  12.374   1.008  -9.646
  288   HD22  ASN  30          2HD2      ASN  30  13.085  -0.345 -10.383
  289    H    LEU  31           H        LEU  31  16.905   3.300  -6.168
  290    HA   LEU  31           HA       LEU  31  15.929   5.971  -6.214
  291    HB2  LEU  31           2HB      LEU  31  17.413   4.279  -4.411
  292    HB3  LEU  31           1HB      LEU  31  18.215   5.844  -4.527
  293    HG   LEU  31           HG       LEU  31  15.233   5.596  -4.082
  294   HD11  LEU  31          1HD1      LEU  31  17.448   5.118  -2.203
  295   HD12  LEU  31          2HD1      LEU  31  15.734   4.740  -2.043
  296   HD13  LEU  31          3HD1      LEU  31  16.317   6.355  -1.652
  297   HD21  LEU  31          3HD2      LEU  31  17.291   7.795  -3.726
  298   HD22  LEU  31          1HD2      LEU  31  15.648   7.901  -3.097
  299   HD23  LEU  31          2HD2      LEU  31  15.920   7.782  -4.833
  300    H    VAL  32           H        VAL  32  19.099   4.539  -6.929
  301    HA   VAL  32           HA       VAL  32  20.549   6.854  -7.429
  302    HB   VAL  32           HB       VAL  32  22.019   5.463  -8.788
  303   HG11  VAL  32          1HG1      VAL  32  22.560   3.828  -7.135
  304   HG12  VAL  32          2HG1      VAL  32  20.887   3.729  -6.583
  305   HG13  VAL  32          3HG1      VAL  32  21.842   5.175  -6.251
  306   HG21  VAL  32          3HG2      VAL  32  19.624   3.613  -8.792
  307   HG22  VAL  32          1HG2      VAL  32  21.250   3.049  -9.175
  308   HG23  VAL  32          2HG2      VAL  32  20.482   4.277 -10.182
  309    HA   PRO  33           HA       PRO  33  18.686   8.575 -11.046
  310    HB2  PRO  33           2HB      PRO  33  20.890   9.813 -12.151
  311    HB3  PRO  33           1HB      PRO  33  19.983  10.463 -10.771
  312    HG2  PRO  33           2HG      PRO  33  22.539   8.935 -10.801
  313    HG3  PRO  33           1HG      PRO  33  22.065  10.314  -9.805
  314    HD2  PRO  33           2HD      PRO  33  22.049   7.774  -8.852
  315    HD3  PRO  33           1HD      PRO  33  20.886   8.999  -8.296
  316    H    ARG  34           H        ARG  34  21.553   6.612 -11.197
  317    HA   ARG  34           HA       ARG  34  20.597   5.065 -13.372
  318    HB2  ARG  34           2HB      ARG  34  21.870   5.742 -15.199
  319    HB3  ARG  34           1HB      ARG  34  21.410   7.279 -14.476
  320    HG2  ARG  34           2HG      ARG  34  24.049   5.876 -13.933
  321    HG3  ARG  34           1HG      ARG  34  23.830   7.152 -15.122
  322    HD2  ARG  34           2HD      ARG  34  22.925   8.609 -13.266
  323    HD3  ARG  34           1HD      ARG  34  23.447   7.362 -12.133
  324    HE   ARG  34           HE       ARG  34  25.702   7.848 -13.558
  325   HH11  ARG  34          1HH2      ARG  34  23.390   9.863 -11.953
  326   HH12  ARG  34          2HH2      ARG  34  24.549  11.069 -11.502
  327   HH21  ARG  34          1HH1      ARG  34  27.224   9.427 -12.974
  328   HH22  ARG  34          2HH1      ARG  34  26.719  10.822 -12.080
  329    H    THR  35           H        THR  35  21.584   3.124 -13.410
  330    HA   THR  35           HA       THR  35  23.547   2.576 -11.376
  331    HB   THR  35           HB       THR  35  22.761   0.471 -11.535
  332    HG1  THR  35           1HG      THR  35  22.634   0.285 -14.287
  333   HG21  THR  35          3HG2      THR  35  20.963   1.478 -13.746
  334   HG22  THR  35          1HG2      THR  35  20.701   1.852 -12.043
  335   HG23  THR  35          2HG2      THR  35  20.631   0.181 -12.599
  336    H    GLU  36           H        GLU  36  25.094   0.603 -12.501
  337    HA   GLU  36           HA       GLU  36  27.049   2.183 -13.935
  338    HB2  GLU  36           2HB      GLU  36  27.042  -0.692 -12.993
  339    HB3  GLU  36           1HB      GLU  36  28.412   0.085 -13.790
  340    HG2  GLU  36           2HG      GLU  36  28.737   1.607 -12.015
  341    HG3  GLU  36           1HG      GLU  36  27.128   1.316 -11.355
  342    H    SER  37           H        SER  37  26.752   2.502 -16.056
  343    HA   SER  37           HA       SER  37  25.328   0.633 -17.720
  344    HB2  SER  37           2HB      SER  37  25.666   2.210 -19.480
  345    HB3  SER  37           1HB      SER  37  25.370   3.151 -18.021
  346    HG   SER  37           HG       SER  37  27.333   3.523 -19.547
  Start of MODEL    4
    1    H1   LEU   1           1HT      LEU   1 -23.103   6.092   3.086
    2    H2   LEU   1           2HT      LEU   1 -22.292   6.453   4.534
    3    H3   LEU   1           3HT      LEU   1 -23.743   5.571   4.568
    4    HA   LEU   1           HA       LEU   1 -22.486   3.754   4.621
    5    HB2  LEU   1           2HB      LEU   1 -22.133   4.740   1.791
    6    HB3  LEU   1           1HB      LEU   1 -21.441   3.206   2.314
    7    HG   LEU   1           HG       LEU   1 -23.724   2.996   1.273
    8   HD11  LEU   1          2HD1      LEU   1 -24.066   2.193   4.133
    9   HD12  LEU   1          3HD1      LEU   1 -22.673   1.546   3.268
   10   HD13  LEU   1          1HD1      LEU   1 -24.302   1.250   2.664
   11   HD21  LEU   1          1HD2      LEU   1 -24.498   5.196   2.353
   12   HD22  LEU   1          2HD2      LEU   1 -24.734   4.257   3.828
   13   HD23  LEU   1          3HD2      LEU   1 -25.648   3.860   2.374
   14    H    LEU   2           H        LEU   2 -21.142   6.195   5.522
   15    HA   LEU   2           HA       LEU   2 -18.423   6.083   4.625
   16    HB2  LEU   2           2HB      LEU   2 -19.807   8.023   5.818
   17    HB3  LEU   2           1HB      LEU   2 -19.135   7.281   7.266
   18    HG   LEU   2           HG       LEU   2 -17.635   9.043   6.504
   19   HD11  LEU   2          1HD1      LEU   2 -16.296   6.495   5.635
   20   HD12  LEU   2          2HD1      LEU   2 -16.782   6.714   7.313
   21   HD13  LEU   2          3HD1      LEU   2 -15.631   7.826   6.574
   22   HD21  LEU   2          3HD2      LEU   2 -16.911   7.657   3.974
   23   HD22  LEU   2          1HD2      LEU   2 -17.016   9.381   4.324
   24   HD23  LEU   2          2HD2      LEU   2 -18.480   8.463   3.977
   25    H    GLY   3           H        GLY   3 -20.170   4.953   7.462
   26    HA2  GLY   3           2HA      GLY   3 -18.033   3.882   8.914
   27    HA3  GLY   3           1HA      GLY   3 -19.688   3.271   8.972
   28    H    ASP   4           H        ASP   4 -19.858   2.649   6.182
   29    HA   ASP   4           HA       ASP   4 -18.712   0.017   6.199
   30    HB2  ASP   4           2HB      ASP   4 -20.911   0.712   5.121
   31    HB3  ASP   4           1HB      ASP   4 -19.948   1.440   3.838
   32    H    PHE   5           H        PHE   5 -17.938   3.108   4.776
   33    HA   PHE   5           HA       PHE   5 -16.006   2.250   2.876
   34    HB2  PHE   5           2HB      PHE   5 -17.103   4.509   2.977
   35    HB3  PHE   5           1HB      PHE   5 -16.106   4.862   4.374
   36    HD1  PHE   5           1HD      PHE   5 -13.563   4.711   4.145
   37    HD2  PHE   5           2HD      PHE   5 -16.239   4.770   0.788
   38    HE1  PHE   5           1HE      PHE   5 -11.694   5.385   2.671
   39    HE2  PHE   5           2HE      PHE   5 -14.368   5.443  -0.690
   40    HZ   PHE   5           HZ       PHE   5 -12.093   5.751   0.248
   41    H    PHE   6           H        PHE   6 -15.764   3.572   6.126
   42    HA   PHE   6           HA       PHE   6 -12.981   3.406   6.431
   43    HB2  PHE   6           2HB      PHE   6 -15.334   3.726   8.195
   44    HB3  PHE   6           1HB      PHE   6 -13.891   3.084   8.980
   45    HD1  PHE   6           1HD      PHE   6 -14.262   5.517   6.151
   46    HD2  PHE   6           2HD      PHE   6 -12.923   4.856  10.175
   47    HE1  PHE   6           1HE      PHE   6 -13.266   7.788   6.193
   48    HE2  PHE   6           2HE      PHE   6 -11.929   7.127  10.220
   49    HZ   PHE   6           HZ       PHE   6 -12.100   8.593   8.227
   50    H    ARG   7           H        ARG   7 -15.541   1.065   7.220
   51    HA   ARG   7           HA       ARG   7 -13.820  -0.883   8.362
   52    HB2  ARG   7           2HB      ARG   7 -16.530  -1.176   7.043
   53    HB3  ARG   7           1HB      ARG   7 -15.721  -2.445   7.963
   54    HG2  ARG   7           2HG      ARG   7 -16.084   0.252   9.235
   55    HG3  ARG   7           1HG      ARG   7 -17.466  -0.839   9.147
   56    HD2  ARG   7           2HD      ARG   7 -14.768  -1.554  10.331
   57    HD3  ARG   7           1HD      ARG   7 -16.192  -1.107  11.264
   58    HE   ARG   7           HE       ARG   7 -17.068  -3.182   9.725
   59   HH11  ARG   7          1HH2      ARG   7 -14.388  -2.651  11.849
   60   HH12  ARG   7          2HH2      ARG   7 -14.288  -4.303  12.361
   61   HH21  ARG   7          1HH1      ARG   7 -16.943  -5.351  10.393
   62   HH22  ARG   7          2HH1      ARG   7 -15.735  -5.832  11.536
   63    H    LYS   8           H        LYS   8 -14.981  -0.292   5.081
   64    HA   LYS   8           HA       LYS   8 -13.797  -2.657   3.965
   65    HB2  LYS   8           2HB      LYS   8 -15.753  -1.255   3.026
   66    HB3  LYS   8           1HB      LYS   8 -14.503  -0.173   2.413
   67    HG2  LYS   8           2HG      LYS   8 -13.441  -2.087   1.243
   68    HG3  LYS   8           1HG      LYS   8 -14.739  -3.136   1.814
   69    HD2  LYS   8           2HD      LYS   8 -16.387  -1.935   0.558
   70    HD3  LYS   8           1HD      LYS   8 -15.254  -0.631   0.198
   71    HE2  LYS   8           2HE      LYS   8 -14.795  -3.484  -0.700
   72    HE3  LYS   8           1HE      LYS   8 -15.644  -2.297  -1.692
   73    HZ1  LYS   8           3HZ      LYS   8 -13.729  -0.896  -1.688
   74    HZ2  LYS   8           1HZ      LYS   8 -13.239  -2.449  -2.164
   75    HZ3  LYS   8           2HZ      LYS   8 -12.918  -1.904  -0.587
   76    H    SER   9           H        SER   9 -12.911   0.770   4.136
   77    HA   SER   9           HA       SER   9 -10.603   0.693   2.560
   78    HB2  SER   9           2HB      SER   9 -11.684   2.770   3.394
   79    HB3  SER   9           1HB      SER   9 -11.087   2.401   5.009
   80    HG   SER   9           HG       SER   9  -9.745   3.293   2.749
   81    H    LYS  10           H        LYS  10 -11.128  -0.143   5.933
   82    HA   LYS  10           HA       LYS  10  -8.598  -0.243   6.972
   83    HB2  LYS  10           2HB      LYS  10 -10.790  -0.872   8.099
   84    HB3  LYS  10           1HB      LYS  10 -10.592  -2.470   7.380
   85    HG2  LYS  10           2HG      LYS  10  -8.213  -2.408   8.432
   86    HG3  LYS  10           1HG      LYS  10  -8.857  -1.104   9.431
   87    HD2  LYS  10           2HD      LYS  10  -9.999  -3.904   9.205
   88    HD3  LYS  10           1HD      LYS  10  -9.120  -3.251  10.587
   89    HE2  LYS  10           2HE      LYS  10 -10.900  -1.434  10.708
   90    HE3  LYS  10           1HE      LYS  10 -11.822  -2.381   9.540
   91    HZ1  LYS  10           3HZ      LYS  10 -10.894  -4.048  11.621
   92    HZ2  LYS  10           1HZ      LYS  10 -12.490  -3.728  11.144
   93    HZ3  LYS  10           2HZ      LYS  10 -11.728  -2.724  12.284
   94    H    GLU  11           H        GLU  11 -10.172  -2.990   5.297
   95    HA   GLU  11           HA       GLU  11  -7.770  -4.520   5.218
   96    HB2  GLU  11           2HB      GLU  11  -9.090  -5.949   3.595
   97    HB3  GLU  11           1HB      GLU  11  -9.830  -5.717   5.179
   98    HG2  GLU  11           2HG      GLU  11 -11.300  -4.001   4.313
   99    HG3  GLU  11           1HG      GLU  11 -10.472  -4.016   2.757
  100    H    LYS  12           H        LYS  12  -9.226  -2.214   3.049
  101    HA   LYS  12           HA       LYS  12  -7.935  -2.895   0.668
  102    HB2  LYS  12           2HB      LYS  12  -8.753  -0.189   1.727
  103    HB3  LYS  12           1HB      LYS  12  -8.167  -0.458   0.089
  104    HG2  LYS  12           2HG      LYS  12 -10.403  -2.178   1.117
  105    HG3  LYS  12           1HG      LYS  12 -10.769  -0.531   0.608
  106    HD2  LYS  12           2HD      LYS  12  -9.083  -2.202  -1.218
  107    HD3  LYS  12           1HD      LYS  12 -10.805  -2.566  -1.129
  108    HE2  LYS  12           2HE      LYS  12  -9.925  -0.782  -2.862
  109    HE3  LYS  12           1HE      LYS  12 -11.429  -0.493  -1.987
  110    HZ1  LYS  12           3HZ      LYS  12  -9.623   0.497  -0.282
  111    HZ2  LYS  12           1HZ      LYS  12 -10.437   1.425  -1.445
  112    HZ3  LYS  12           2HZ      LYS  12  -8.872   0.844  -1.765
  113    H    ILE  13           H        ILE  13  -6.700  -1.231   3.516
  114    HA   ILE  13           HA       ILE  13  -4.324  -0.309   2.196
  115    HB   ILE  13           HB       ILE  13  -3.841   0.741   4.155
  116   HG12  ILE  13          2HG1      ILE  13  -5.035  -1.568   5.713
  117   HG13  ILE  13          1HG1      ILE  13  -3.318  -1.346   5.389
  118   HG21  ILE  13          1HG2      ILE  13  -6.372   0.969   3.570
  119   HG22  ILE  13          2HG2      ILE  13  -5.793   1.582   5.119
  120   HG23  ILE  13          3HG2      ILE  13  -6.615   0.026   5.039
  121   HD11  ILE  13          3HD1      ILE  13  -3.517   0.930   6.502
  122   HD12  ILE  13          1HD1      ILE  13  -3.690  -0.459   7.575
  123   HD13  ILE  13          2HD1      ILE  13  -5.119   0.427   7.043
  124    H    GLY  14           H        GLY  14  -5.042  -2.915   4.511
  125    HA2  GLY  14           2HA      GLY  14  -2.582  -4.034   4.883
  126    HA3  GLY  14           1HA      GLY  14  -4.048  -4.998   4.737
  127    H    LYS  15           H        LYS  15  -4.687  -4.476   2.051
  128    HA   LYS  15           HA       LYS  15  -2.874  -6.287   0.739
  129    HB2  LYS  15           2HB      LYS  15  -5.353  -6.206   0.337
  130    HB3  LYS  15           1HB      LYS  15  -5.115  -4.662  -0.479
  131    HG2  LYS  15           2HG      LYS  15  -3.209  -6.307  -1.674
  132    HG3  LYS  15           1HG      LYS  15  -4.591  -7.379  -1.453
  133    HD2  LYS  15           2HD      LYS  15  -6.042  -5.625  -2.517
  134    HD3  LYS  15           1HD      LYS  15  -4.584  -4.696  -2.863
  135    HE2  LYS  15           2HE      LYS  15  -4.312  -7.473  -3.734
  136    HE3  LYS  15           1HE      LYS  15  -5.694  -6.683  -4.493
  137    HZ1  LYS  15           3HZ      LYS  15  -3.010  -5.440  -4.363
  138    HZ2  LYS  15           1HZ      LYS  15  -4.330  -4.972  -5.319
  139    HZ3  LYS  15           2HZ      LYS  15  -3.507  -6.419  -5.659
  140    H    GLU  16           H        GLU  16  -3.780  -2.875   0.252
  141    HA   GLU  16           HA       GLU  16  -1.926  -2.385  -1.835
  142    HB2  GLU  16           2HB      GLU  16  -3.314  -0.537   0.112
  143    HB3  GLU  16           1HB      GLU  16  -2.292   0.036  -1.207
  144    HG2  GLU  16           2HG      GLU  16  -4.591  -1.864  -1.684
  145    HG3  GLU  16           1HG      GLU  16  -4.814  -0.115  -1.681
  146    H    PHE  17           H        PHE  17  -1.789  -1.629   1.654
  147    HA   PHE  17           HA       PHE  17   0.691  -0.430   1.780
  148    HB2  PHE  17           2HB      PHE  17  -1.120  -1.200   3.642
  149    HB3  PHE  17           1HB      PHE  17   0.125  -2.414   3.922
  150    HD1  PHE  17           1HD      PHE  17  -0.408   1.266   3.562
  151    HD2  PHE  17           2HD      PHE  17   2.072  -1.865   5.142
  152    HE1  PHE  17           1HE      PHE  17   0.925   2.949   4.801
  153    HE2  PHE  17           2HE      PHE  17   3.407  -0.182   6.380
  154    HZ   PHE  17           HZ       PHE  17   2.835   2.226   6.210
  155    H    LYS  18           H        LYS  18  -0.094  -3.870   1.579
  156    HA   LYS  18           HA       LYS  18   2.472  -4.920   2.023
  157    HB2  LYS  18           2HB      LYS  18   0.121  -6.081   1.669
  158    HB3  LYS  18           1HB      LYS  18   0.676  -6.187  -0.002
  159    HG2  LYS  18           2HG      LYS  18   2.899  -7.086   1.092
  160    HG3  LYS  18           1HG      LYS  18   1.851  -7.440   2.465
  161    HD2  LYS  18           2HD      LYS  18   0.318  -8.649   0.878
  162    HD3  LYS  18           1HD      LYS  18   1.545  -8.440  -0.371
  163    HE2  LYS  18           2HE      LYS  18   1.990  -9.838   2.284
  164    HE3  LYS  18           1HE      LYS  18   1.737 -10.653   0.741
  165    HZ1  LYS  18           3HZ      LYS  18   4.080 -10.481   1.222
  166    HZ2  LYS  18           1HZ      LYS  18   3.961  -8.798   1.398
  167    HZ3  LYS  18           2HZ      LYS  18   3.702  -9.512  -0.122
  168    H    ARG  19           H        ARG  19   0.903  -3.746  -0.926
  169    HA   ARG  19           HA       ARG  19   3.007  -4.438  -2.702
  170    HB2  ARG  19           2HB      ARG  19   0.503  -2.932  -2.812
  171    HB3  ARG  19           1HB      ARG  19   1.757  -2.207  -3.816
  172    HG2  ARG  19           2HG      ARG  19   0.556  -3.828  -5.156
  173    HG3  ARG  19           1HG      ARG  19   2.166  -4.468  -4.831
  174    HD2  ARG  19           2HD      ARG  19   0.717  -5.398  -2.671
  175    HD3  ARG  19           1HD      ARG  19  -0.466  -5.480  -3.969
  176    HE   ARG  19           HE       ARG  19   1.485  -7.365  -3.573
  177   HH11  ARG  19          1HH2      ARG  19   0.707  -5.145  -6.123
  178   HH12  ARG  19          2HH2      ARG  19   1.438  -6.108  -7.360
  179   HH21  ARG  19          1HH1      ARG  19   2.431  -8.622  -5.195
  180   HH22  ARG  19          2HH1      ARG  19   2.409  -8.073  -6.837
  181    H    ILE  20           H        ILE  20   2.260  -1.459  -0.898
  182    HA   ILE  20           HA       ILE  20   4.241   0.192  -1.948
  183    HB   ILE  20           HB       ILE  20   2.854   0.030   0.714
  184   HG12  ILE  20          2HG1      ILE  20   2.140   2.330  -0.033
  185   HG13  ILE  20          1HG1      ILE  20   2.981   2.044  -1.553
  186   HG21  ILE  20          1HG2      ILE  20   4.048   2.269   1.193
  187   HG22  ILE  20          2HG2      ILE  20   5.233   1.747  -0.005
  188   HG23  ILE  20          3HG2      ILE  20   4.973   0.790   1.454
  189   HD11  ILE  20          3HD1      ILE  20   0.744   0.330  -0.436
  190   HD12  ILE  20          1HD1      ILE  20   1.556   0.087  -1.981
  191   HD13  ILE  20          2HD1      ILE  20   0.564   1.520  -1.723
  192    H    VAL  21           H        VAL  21   4.436  -2.320   0.526
  193    HA   VAL  21           HA       VAL  21   7.067  -1.760   1.411
  194    HB   VAL  21           HB       VAL  21   5.517  -4.364   1.364
  195   HG11  VAL  21          1HG1      VAL  21   8.154  -3.576   2.617
  196   HG12  VAL  21          2HG1      VAL  21   7.810  -4.965   1.587
  197   HG13  VAL  21          3HG1      VAL  21   7.189  -4.916   3.236
  198   HG21  VAL  21          3HG2      VAL  21   4.925  -3.830   3.619
  199   HG22  VAL  21          1HG2      VAL  21   4.633  -2.359   2.691
  200   HG23  VAL  21          2HG2      VAL  21   6.084  -2.502   3.683
  201    H    GLN  22           H        GLN  22   5.785  -3.795  -1.189
  202    HA   GLN  22           HA       GLN  22   8.290  -4.917  -1.960
  203    HB2  GLN  22           2HB      GLN  22   5.731  -4.535  -3.536
  204    HB3  GLN  22           1HB      GLN  22   7.100  -5.521  -4.053
  205    HG2  GLN  22           2HG      GLN  22   6.850  -6.787  -1.854
  206    HG3  GLN  22           1HG      GLN  22   5.310  -5.951  -1.652
  207   HE21  GLN  22          1HE2      GLN  22   3.558  -7.090  -2.478
  208   HE22  GLN  22          2HE2      GLN  22   3.638  -8.220  -3.742
  209    H    ARG  23           H        ARG  23   6.325  -2.260  -3.292
  210    HA   ARG  23           HA       ARG  23   8.169  -1.469  -5.281
  211    HB2  ARG  23           2HB      ARG  23   6.127   0.237  -3.835
  212    HB3  ARG  23           1HB      ARG  23   6.882   0.605  -5.387
  213    HG2  ARG  23           2HG      ARG  23   5.193  -1.852  -4.833
  214    HG3  ARG  23           1HG      ARG  23   4.602  -0.394  -5.628
  215    HD2  ARG  23           2HD      ARG  23   6.857  -0.927  -7.097
  216    HD3  ARG  23           1HD      ARG  23   6.323  -2.555  -6.691
  217    HE   ARG  23           HE       ARG  23   5.240  -1.072  -8.723
  218   HH11  ARG  23          1HH2      ARG  23   4.030  -2.398  -5.755
  219   HH12  ARG  23          2HH2      ARG  23   2.398  -2.499  -6.314
  220   HH21  ARG  23          1HH1      ARG  23   3.106  -1.219  -9.453
  221   HH22  ARG  23          2HH1      ARG  23   1.874  -1.838  -8.403
  222    H    ILE  24           H        ILE  24   7.837  -0.677  -1.880
  223    HA   ILE  24           HA       ILE  24   9.475   1.569  -1.694
  224    HB   ILE  24           HB       ILE  24   8.614  -0.618   0.125
  225   HG12  ILE  24          2HG1      ILE  24   7.547   1.724  -0.337
  226   HG13  ILE  24          1HG1      ILE  24   7.632   1.139   1.325
  227   HG21  ILE  24          1HG2      ILE  24  11.057   1.088   0.632
  228   HG22  ILE  24          2HG2      ILE  24  10.885  -0.658   0.813
  229   HG23  ILE  24          3HG2      ILE  24  10.092   0.428   1.951
  230   HD11  ILE  24          3HD1      ILE  24   9.411   2.556   1.872
  231   HD12  ILE  24          1HD1      ILE  24   8.440   3.566   0.804
  232   HD13  ILE  24          2HD1      ILE  24   9.888   2.771   0.189
  233    H    LYS  25           H        LYS  25  10.376  -1.841  -1.275
  234    HA   LYS  25           HA       LYS  25  13.098  -1.567  -0.918
  235    HB2  LYS  25           2HB      LYS  25  11.413  -3.690  -1.198
  236    HB3  LYS  25           1HB      LYS  25  12.302  -3.786  -2.716
  237    HG2  LYS  25           2HG      LYS  25  13.654  -5.050  -1.279
  238    HG3  LYS  25           1HG      LYS  25  14.418  -3.464  -1.201
  239    HD2  LYS  25           2HD      LYS  25  14.235  -3.946   1.065
  240    HD3  LYS  25           1HD      LYS  25  12.711  -3.099   0.802
  241    HE2  LYS  25           2HE      LYS  25  12.100  -5.067   1.976
  242    HE3  LYS  25           1HE      LYS  25  11.712  -5.422   0.293
  243    HZ1  LYS  25           3HZ      LYS  25  13.810  -6.514   1.989
  244    HZ2  LYS  25           1HZ      LYS  25  14.225  -6.235   0.368
  245    HZ3  LYS  25           2HZ      LYS  25  12.919  -7.255   0.746
  246    H    ASP  26           H        ASP  26  11.223  -1.351  -3.877
  247    HA   ASP  26           HA       ASP  26  13.484  -1.346  -5.647
  248    HB2  ASP  26           2HB      ASP  26  11.063  -1.928  -6.239
  249    HB3  ASP  26           1HB      ASP  26  10.762  -0.191  -6.243
  250    H    PHE  27           H        PHE  27  11.521   1.107  -4.045
  251    HA   PHE  27           HA       PHE  27  12.378   3.402  -5.350
  252    HB2  PHE  27           2HB      PHE  27  10.606   3.340  -3.619
  253    HB3  PHE  27           1HB      PHE  27  11.841   3.089  -2.387
  254    HD1  PHE  27           2HD      PHE  27  11.012   5.408  -5.213
  255    HD2  PHE  27           1HD      PHE  27  12.761   4.955  -1.315
  256    HE1  PHE  27           2HE      PHE  27  11.368   7.858  -5.089
  257    HE2  PHE  27           1HE      PHE  27  13.117   7.407  -1.192
  258    HZ   PHE  27           HZ       PHE  27  12.421   8.858  -3.078
  259    H    LEU  28           H        LEU  28  13.913   1.635  -2.687
  260    HA   LEU  28           HA       LEU  28  16.029   3.434  -2.220
  261    HB2  LEU  28           2HB      LEU  28  15.733   0.465  -1.766
  262    HB3  LEU  28           1HB      LEU  28  17.191   1.345  -1.310
  263    HG   LEU  28           HG       LEU  28  15.635   2.954  -0.044
  264   HD11  LEU  28          1HD1      LEU  28  13.747   0.674  -0.662
  265   HD12  LEU  28          2HD1      LEU  28  13.496   2.397  -0.938
  266   HD13  LEU  28          3HD1      LEU  28  13.498   1.759   0.705
  267   HD21  LEU  28          3HD2      LEU  28  17.067   1.298   1.079
  268   HD22  LEU  28          1HD2      LEU  28  15.836   0.058   0.838
  269   HD23  LEU  28          2HD2      LEU  28  15.513   1.427   1.902
  270    H    ARG  29           H        ARG  29  15.929   0.478  -4.226
  271    HA   ARG  29           HA       ARG  29  18.561   0.649  -5.192
  272    HB2  ARG  29           2HB      ARG  29  16.158  -0.497  -6.632
  273    HB3  ARG  29           1HB      ARG  29  17.851  -0.877  -6.944
  274    HG2  ARG  29           2HG      ARG  29  17.697  -1.372  -4.253
  275    HG3  ARG  29           1HG      ARG  29  16.079  -1.831  -4.766
  276    HD2  ARG  29           2HD      ARG  29  18.721  -3.015  -5.526
  277    HD3  ARG  29           1HD      ARG  29  17.231  -3.832  -5.073
  278    HE   ARG  29           HE       ARG  29  18.067  -3.419  -7.678
  279   HH11  ARG  29          1HH2      ARG  29  15.280  -2.615  -5.782
  280   HH12  ARG  29          2HH2      ARG  29  14.233  -2.463  -7.150
  281   HH21  ARG  29          1HH1      ARG  29  16.695  -3.232  -9.461
  282   HH22  ARG  29          2HH1      ARG  29  15.030  -2.814  -9.229
  283    H    ASN  30           H        ASN  30  15.737   2.467  -5.987
  284    HA   ASN  30           HA       ASN  30  16.715   3.356  -8.568
  285    HB2  ASN  30           2HB      ASN  30  14.364   4.161  -6.851
  286    HB3  ASN  30           1HB      ASN  30  14.750   4.952  -8.378
  287   HD21  ASN  30          1HD2      ASN  30  14.988   1.463  -7.529
  288   HD22  ASN  30          2HD2      ASN  30  13.913   0.947  -8.738
  289    H    LEU  31           H        LEU  31  16.850   4.399  -5.249
  290    HA   LEU  31           HA       LEU  31  17.555   7.121  -5.767
  291    HB2  LEU  31           2HB      LEU  31  17.351   5.337  -3.426
  292    HB3  LEU  31           1HB      LEU  31  18.577   6.593  -3.276
  293    HG   LEU  31           HG       LEU  31  16.862   8.293  -3.913
  294   HD11  LEU  31          1HD1      LEU  31  14.791   6.141  -3.479
  295   HD12  LEU  31          2HD1      LEU  31  15.427   6.470  -5.090
  296   HD13  LEU  31          3HD1      LEU  31  14.589   7.737  -4.200
  297   HD21  LEU  31          3HD2      LEU  31  16.266   6.503  -1.539
  298   HD22  LEU  31          1HD2      LEU  31  15.544   8.096  -1.768
  299   HD23  LEU  31          2HD2      LEU  31  17.288   7.940  -1.557
  300    H    VAL  32           H        VAL  32  19.436   4.196  -5.003
  301    HA   VAL  32           HA       VAL  32  21.910   5.677  -5.599
  302    HB   VAL  32           HB       VAL  32  22.957   3.491  -4.700
  303   HG11  VAL  32          1HG1      VAL  32  22.966   5.602  -3.460
  304   HG12  VAL  32          2HG1      VAL  32  22.616   4.268  -2.361
  305   HG13  VAL  32          3HG1      VAL  32  21.311   5.315  -2.920
  306   HG21  VAL  32          3HG2      VAL  32  20.871   2.150  -4.827
  307   HG22  VAL  32          1HG2      VAL  32  20.116   3.229  -3.656
  308   HG23  VAL  32          2HG2      VAL  32  21.485   2.228  -3.177
  309    HA   PRO  33           HA       PRO  33  21.600   3.333  -9.470
  310    HB2  PRO  33           2HB      PRO  33  23.089   4.986 -10.996
  311    HB3  PRO  33           1HB      PRO  33  21.433   5.405 -10.511
  312    HG2  PRO  33           2HG      PRO  33  24.026   6.369  -9.414
  313    HG3  PRO  33           1HG      PRO  33  22.514   7.254  -9.681
  314    HD2  PRO  33           2HD      PRO  33  23.351   6.235  -7.216
  315    HD3  PRO  33           1HD      PRO  33  21.674   6.666  -7.626
  316    H    ARG  34           H        ARG  34  24.565   4.599  -8.010
  317    HA   ARG  34           HA       ARG  34  26.557   3.349  -9.388
  318    HB2  ARG  34           2HB      ARG  34  27.870   3.361  -7.362
  319    HB3  ARG  34           1HB      ARG  34  26.858   4.807  -7.377
  320    HG2  ARG  34           2HG      ARG  34  25.160   3.457  -6.019
  321    HG3  ARG  34           1HG      ARG  34  26.443   2.267  -5.792
  322    HD2  ARG  34           2HD      ARG  34  26.574   3.703  -3.897
  323    HD3  ARG  34           1HD      ARG  34  27.892   4.199  -4.955
  324    HE   ARG  34           HE       ARG  34  25.814   5.815  -5.700
  325   HH11  ARG  34          1HH2      ARG  34  27.383   5.009  -2.722
  326   HH12  ARG  34          2HH2      ARG  34  27.083   6.548  -1.988
  327   HH21  ARG  34          1HH1      ARG  34  25.418   7.835  -4.744
  328   HH22  ARG  34          2HH1      ARG  34  25.970   8.149  -3.132
  329    H    THR  35           H        THR  35  24.241   1.886  -7.238
  330    HA   THR  35           HA       THR  35  25.567  -0.701  -7.263
  331    HB   THR  35           HB       THR  35  23.173  -1.215  -6.144
  332    HG1  THR  35           1HG      THR  35  22.114   0.539  -5.803
  333   HG21  THR  35          3HG2      THR  35  25.256  -1.526  -4.974
  334   HG22  THR  35          1HG2      THR  35  24.225  -0.518  -3.959
  335   HG23  THR  35          2HG2      THR  35  25.528   0.215  -4.894
  336    H    GLU  36           H        GLU  36  23.533  -2.475  -7.503
  337    HA   GLU  36           HA       GLU  36  23.293  -2.931 -10.219
  338    HB2  GLU  36           2HB      GLU  36  21.515  -3.796  -7.933
  339    HB3  GLU  36           1HB      GLU  36  21.328  -4.398  -9.581
  340    HG2  GLU  36           2HG      GLU  36  23.475  -5.411  -9.571
  341    HG3  GLU  36           1HG      GLU  36  23.977  -4.520  -8.136
  342    H    SER  37           H        SER  37  21.417  -2.840 -11.633
  343    HA   SER  37           HA       SER  37  20.239  -0.251 -11.694
  344    HB2  SER  37           2HB      SER  37  19.187  -0.956 -13.706
  345    HB3  SER  37           1HB      SER  37  20.755  -1.757 -13.681
  346    HG   SER  37           HG       SER  37  18.751  -3.047 -14.143