*HEADER    TOXIN                                   30-DEC-02   1NIY              
*TITLE     THREE DIMENSIONAL SOLUTION STRUCTURE OF HAINANTOXIN-IV BY             
*TITLE    2 2D 1H-NMR                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HAINANTOXIN-IV;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: HNTX-IV                                                     
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SELENOCOSMIA HAINANA;                           
*SOURCE   3 ORGANISM_COMMON: CHINESE BIRD SPIDER;                                
*SOURCE   4 SECRETION: VENOM                                                     
*KEYWDS    NEUROTOXIN, INHIBITOR CYSTINE KNOT MOTIF                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.L.LI, S.Y.LU, X.C.GU, S.P.LIANG                                     
*REVDAT   1   14-JAN-03 1NIY    0                                                

!intra-residue NOE constraints(number=182)

assign (resid 1 and name HA)   (resid 1 and name HB#)  3.5 1.7 1.0  !!0.784E+07
assign (resid 1 and name HG#)  (resid 1 and name HB#)  5.0 3.2 2.0  !!0.381E+07

assign (resid 2 and name HA )  (resid 2 and name HB#)  3.5 1.7 1.0  !!0.206E+08 or 0.264E+08
assign (resid 2 and name HN )  (resid 2 and name HA)   5.0 3.2 0.0  !!0.501E+07
assign (resid 2 and name HN )  (resid 2 and name HB#)  3.5 1.7 1.0  !!0.145E+08 or 0.402E+07

assign (resid 3 and name HN )  (resid 3 and name HA)   3.5 1.7 0.0  !!0.115E+08
assign (resid 3 and name HN )  (resid 3 and name HB#)  3.5 1.7 1.0  !!0.307E+08 or 0.124E+08
assign (resid 3 and name HN )  (resid 3 and name HG)   2.7 0.9 0.0  !!0.436E+08
assign (resid 3 and name HN )  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.719E+07 or 0.667E+07
assign (resid 3 and name HA )  (resid 3 and name HB#)  3.5 1.7 1.0  !!0.675E+07 or 0.295E+08
assign (resid 3 and name HA )  (resid 3 and name HG)   3.5 1.7 0.0  !!0.110E+08
assign (resid 3 and name HA )  (resid 3 and name HD#)  3.5 1.7 2.4  !!0.338E+07 or 0.459E+08
assign (resid 3 and name HB#)  (resid 3 and name HD#)  3.5 1.7 3.4
assign (resid 3 and name HG )  (resid 3 and name HD#)  3.5 1.7 2.4

assign (resid 4 and name HN )  (resid 4 and name HA#)  2.7 0.9 1.0  !!0.168E+08 or 0.527E+08

assign (resid 5 and name HN )  (resid 5 and name HA)   3.5 1.7 0.0  !!0.196E+08
assign (resid 5 and name HN )  (resid 5 and name HB#)  2.7 0.9 1.0  !!0.451E+08 or 0.414E+08
assign (resid 5 and name HA )  (resid 5 and name HB#)  2.7 0.9 1.0  !!0.341E+08 or 0.634E+07
assign (resid 5 and name HD#)  (resid 5 and name HN )  5.0 3.2 2.4  !!0.645E+07
assign (resid 5 and name HD# ) (resid 5 and name HA)   2.7 0.9 2.4  !!0.368E+08
assign (resid 5 and name HD# ) (resid 5 and name HB#)  2.7 0.9 3.4  !!0.507E+08 or 0.600E+08
assign (resid 5 and name HE# ) (resid 5 and name HA)   5.0 3.2 2.4  !!0.785E+07?
assign (resid 5 and name HE# ) (resid 5 and name HB#)  5.0 3.2 3.4  !!0.509E+07 or 0.618E+07
!assign (resid 5 and name HZ )  (resid 5 and name HA )  5.0 3.2 0.0
assign (resid 5 and name HZ )  (resid 5 and name HB#)  5.0 3.2 1.0  !!0.200E+07

assign (resid 6 and name HN )  (resid 6 and name HA#)  2.7 0.9 1.0  !!0.530E+08 or 0.568E+08

assign (resid 7 and name HN )  (resid 7 and name HA)   3.5 1.7 0.0  !!0.159E+08 
assign (resid 7 and name HN )  (resid 7 and name HB#)  2.7 0.9 1.0  !!0.436E+08 or 0.147E+08 
assign (resid 7 and name HN )  (resid 7 and name HG#)  3.5 1.7 1.0  !!0.713E+07 or 0.290E+08
assign (resid 7 and name HN )  (resid 7 and name HD#)  5.0 3.2 1.0  !!0.418E+07
assign (resid 7 and name HA )  (resid 7 and name HB#)  3.5 1.7 1.0  !!0.187E+08 or 0.303E+08
assign (resid 7 and name HA )  (resid 7 and name HG#)  3.5 1.7 1.0  !!0.178E+08 or 0.100E+08
assign (resid 7 and name HA )  (resid 7 and name HD#)  3.5 1.7 1.0  !!0.459E+08
!assign (resid 7 and name HB#)  (resid 7 and name HG#)  3.5 1.7 2.0
!assign (resid 7 and name HD#)  (resid 7 and name HG#)  3.5 1.7 2.0

assign (resid 8 and name HN )  (resid 8 and name HA#)  3.5 1.7 1.0  !!0.452E+07 or 0.320E+08

assign (resid 9 and name HN )  (resid 9 and name HA)   5.0 3.2 0.0  !!(d2o)0.465E+06
assign (resid 9 and name HN )  (resid 9 and name HB#)  3.5 1.7 1.0  !!0.888E+07 or 0.672E+07
assign (resid 9 and name HA )  (resid 9 and name HB#)  2.7 0.9 1.0  !!(d2o)0.422E+07 or 0.525E+07

assign (resid 10 and name HA ) (resid 10 and name HB#) 3.5 1.7 1.0  !!0.141E+08 or 0.241E+08
assign (resid 10 and name HN ) (resid 10 and name HA)  3.5 1.7 0.0  !!0.358E+07
assign (resid 10 and name HN ) (resid 10 and name HB#) 3.5 1.7 1.0  !!0.179E+08 or 0.25E+08
assign (resid 10 and name HN ) (resid 10 and name HD2#)5.0 3.2 1.0
assign (resid 10 and name HD2#)(resid 10 and name HA ) 5.0 3.2 1.0
assign (resid 10 and name HD2#)(resid 10 and name HB#) 3.5 1.7 2.0  !!0.156E+08 or 0.199E+08/ 0.773E+07 or 0.831E+07

assign (resid 11 and name HA ) (resid 11 and name HB#) 2.7 0.9 1.0  !!0.420E+08
assign (resid 11 and name HA ) (resid 11 and name HG#) 3.5 1.7 1.0  !!0.200E+08
assign (resid 11 and name HB# )(resid 11 and name HG#) 3.5 1.7 2.0  !!0.100E+08
assign (resid 11 and name HB# )(resid 11 and name HD#) 3.5 1.7 2.0  !!0.100E+08
assign (resid 11 and name HD# )(resid 11 and name HG#) 2.7 0.9 2.0  !!0.108E+08  or 0.435E+08

assign (resid 12 and name HA ) (resid 12 and name HB#) 3.5 1.7 1.0  !!0.199E+08 or 0.148E+08
assign (resid 12 and name HN ) (resid 12 and name HA)  3.5 1.7 0.0  !!0.152E+08
assign (resid 12 and name HN ) (resid 12 and name HB#) 2.7 0.9 1.0  !!0.168E+08 or 0.185E+08

assign (resid 13 and name HA ) (resid 13 and name HB#) 3.5 1.7 1.0  !!0.120E+08
assign (resid 13 and name HN ) (resid 13 and name HA)  5.0 3.2 0.0  !!0.617E+07
assign (resid 13 and name HN ) (resid 13 and name HB#) 3.5 1.7 1.0  !!0.227E+08
assign (resid 13 and name HD2#)(resid 13 and name HB#) 3.5 1.7 2.0  !!0.254E+08 or 0.117E+08

assign (resid 14 and name HA ) (resid 14 and name HB#) 2.7 0.9 1.0  !!0.182E+08 or 0.324E+08
assign (resid 14 and name HN ) (resid 14 and name HA)  3.5 1.7 0.0  !!0.118E+08
assign (resid 14 and name HN ) (resid 14 and name HB#) 2.7 0.9 1.0  !!0.539E+08 or 0.485E+08

assign (resid 15 and name HN ) (resid 15 and name HA)  5.0 3.2 0.0  !!0.335E+07
assign (resid 15 and name HN ) (resid 15 and name HB#) 3.5 1.7 1.0  !!0.249E+08 or 0.119E+08
assign (resid 15 and name HN ) (resid 15 and name HG#) 3.5 1.7 1.0  !!0.864E+07 or 0.104E+08
assign (resid 15 and name HA ) (resid 15 and name HB#) 3.5 1.7 1.0  !!0.110E+08 or 0.367E+07
assign (resid 15 and name HA ) (resid 15 and name HG#) 3.5 1.7 1.0  !!(d2o)0.151E+07
assign (resid 15 and name HB# )(resid 15 and name HG#) 3.5 1.7 2.0  !!0.182E+08 or 0.121E+08

assign (resid 16 and name HN ) (resid 16 and name HA)  5.0 3.2 0.0  !!0.370E+07
assign (resid 16 and name HN ) (resid 16 and name HB#) 2.7 0.9 1.0  !!0.422E+08 or 0.115E+08
assign (resid 16 and name HA ) (resid 16 and name HB#) 3.5 1.7 1.0  !!0.329E+07 or 0.816E+07

assign (resid 17 and name HN ) (resid 17 and name HA)  5.0 3.2 0.0  !!0.629E+07
assign (resid 17 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0  !!0.200E+08 or 0.293E+08
assign (resid 17 and name HA ) (resid 17 and name HB#) 3.5 1.7 1.0  !!0.221E+08 or 0.602E+07

assign (resid 18 and name HN ) (resid 18 and name HA)  3.5 1.7 0.0  !!0.201E+08 
assign (resid 18 and name HN ) (resid 18 and name HB#) 2.7 0.9 1.0  !!0.422E+08
assign (resid 18 and name HN ) (resid 18 and name HG#) 3.5 1.7 1.0  !!0.276E+08
assign (resid 18 and name HN ) (resid 18 and name HD#) 5.0 3.2 1.0  !!0.628E+07
assign (resid 18 and name HA ) (resid 18 and name HB#) 2.7 0.9 1.0  !!0.115E+08(?)
assign (resid 18 and name HA ) (resid 18 and name HG#) 5.0 3.2 1.0  !!0.100E+07(?)
assign (resid 18 and name HA ) (resid 18 and name HD#) 5.0 3.2 1.0  !!0.115E+08(?)
assign (resid 18 and name HA ) (resid 18 and name HE#) 5.0 3.2 1.0

assign (resid 19 and name HA ) (resid 19 and name HB#) 3.5 1.7 1.0  !!0.222E+08 or 0.223E+08
assign (resid 19 and name HN ) (resid 19 and name HA)  3.5 1.7 0.0  !!0.215E+08
assign (resid 19 and name HN ) (resid 19 and name HB#) 3.5 1.7 1.0  !!0.169E+08 or 0.934E+07

assign (resid 20 and name HA ) (resid 20 and name HB#) 3.5 1.7 1.0  !!0.847E+08
!assign (resid 20 and name HN ) (resid 20 and name HA)  5.0 3.2 0.0  !!0.500E+07
assign (resid 20 and name HN ) (resid 20 and name HB#) 3.5 1.7 1.0  !!0.206E+08

assign (resid 21 and name HA ) (resid 21 and name HB#) 3.5 1.7 1.0  !!0.189E+08 or 0.148E+08
assign (resid 21 and name HN ) (resid 21 and name HA)  2.7 0.9 0.0  !!0.650+08
assign (resid 21 and name HN ) (resid 21 and name HB#) 3.5 1.7 1.0  !!0.692E+07 or 0.681E+07
assign (resid 21 and name HD2#)(resid 21 and name HB#) 5.0 3.2 2.0  !!0.230E+07 or 0.681E+07/ 0.179E+07 or 0.322E+07

assign (resid 22 and name HN ) (resid 22 and name HA)  3.5 1.7 0.0  !!0.101E+08 
assign (resid 22 and name HN ) (resid 22 and name HB#) 2.7 0.9 1.0  !!0.368E+08 or 0.110E+08
assign (resid 22 and name HN ) (resid 22 and name HG)  3.5 1.7 0.0  !!0.270E+08
assign (resid 22 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.573E+07 or 0.508E+07
assign (resid 22 and name HA ) (resid 22 and name HB#) 3.5 1.7 1.0  !!0.113E+08 or 0.157E+08
assign (resid 22 and name HA ) (resid 22 and name HG)  3.5 1.7 0.0  !!0.678E+07
assign (resid 22 and name HA ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.275E+07 or 0.198E+08
assign (resid 22 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4
assign (resid 22 and name HG ) (resid 22 and name HD#) 3.5 1.7 2.4

assign (resid 23 and name HN ) (resid 23 and name HA)  3.5 1.7 0.0  !!0.133E+08
assign (resid 23 and name HN ) (resid 23 and name HB)  5.0 3.2 0.0  !!0.100E+08
assign (resid 23 and name HN ) (resid 23 and name HG#) 5.0 3.2 2.4  !!0.200E+08
assign (resid 23 and name HA ) (resid 23 and name HB)  3.5 1.7 0.0  !!0.261E+08
assign (resid 23 and name HA ) (resid 23 and name HG#) 3.5 1.7 2.4  !!0.232E+08 or 0.138E+08
assign (resid 23 and name HB ) (resid 23 and name HG#) 3.5 1.7 2.4  !!0.227E+08 or 0.327E+08

assign (resid 24 and name HN ) (resid 24 and name HA)  5.0 3.2 0.0  !!0.653E+07
assign (resid 24 and name HN ) (resid 24 and name HB#) 2.7 0.9 1.0  !!0.347E+08 or 0.336E+08
assign (resid 24 and name HA ) (resid 24 and name HB#) 3.5 1.7 1.0  !!0.154E+08 or 0.113E+08

assign (resid 25 and name HN ) (resid 25 and name HA)  3.5 1.7 0.0  !!0.300E+08(?)
assign (resid 25 and name HN ) (resid 25 and name HB#) 2.7 0.9 1.0  !!0.204E+08 or 0.437E+08
assign (resid 25 and name HA ) (resid 25 and name HB#) 3.5 1.7 1.0  !!0.126E+08 or 0.463E+07

assign (resid 26 and name HN ) (resid 26 and name HA)  3.5 1.7 0.0  !!0.118E+08
assign (resid 26 and name HN ) (resid 26 and name HB#) 3.5 1.7 1.0  !!0.193E+08 
assign (resid 26 and name HN ) (resid 26 and name HG#) 5.0 3.2 1.0  !!0.594E+07 or 0.123E+07
assign (resid 26 and name HN ) (resid 26 and name HD#) 5.0 3.2 1.0 
assign (resid 26 and name HH#) (resid 26 and name HB#) 5.0 3.2 2.0
assign (resid 26 and name HH#) (resid 26 and name HG#) 5.0 3.2 2.0
assign (resid 26 and name HH#) (resid 26 and name HD#) 5.0 3.2 2.0  !!0.418E+07
assign (resid 26 and name HA ) (resid 26 and name HB#) 2.7 0.9 1.0  !!0.435E+08
assign (resid 26 and name HA ) (resid 26 and name HG#) 5.0 3.2 1.0  !!0.464E+07 or 0.972E+07
assign (resid 26 and name HA ) (resid 26 and name HD#) 5.0 3.2 1.0  !!0.479E+07
assign (resid 26 and name HD#) (resid 26 and name HB#) 3.5 1.7 2.0  !!0.207E+08
assign (resid 26 and name HD#) (resid 26 and name HG#) 3.5 1.7 2.0  !!0.154E+08 or 0.162E+08

assign (resid 27 and name HN ) (resid 27 and name HA)  3.5 1.7 0.0  !!0.123E+08 
assign (resid 27 and name HN ) (resid 27 and name HB#) 3.5 1.7 1.0  !!0.993E+07 or 0.752E+07
assign (resid 27 and name HN ) (resid 27 and name HG#) 5.0 3.2 1.0  !!0.146E+07
assign (resid 27 and name HA ) (resid 27 and name HB#) 3.5 1.7 1.0  !!0.114E+08 or 0.165E+08
assign (resid 27 and name HA ) (resid 27 and name HG#) 5.0 3.2 1.0  !!0.634E+07 or 0.330E+07
assign (resid 27 and name HB#) (resid 27 and name HG#) 3.5 1.7 1.0

assign (resid 28 and name HN ) (resid 28 and name HA)  3.5 1.7 0.0  !!0.948E+07
assign (resid 28 and name HN ) (resid 28 and name HB#) 3.5 1.7 1.0  !!0.150E+08 
assign (resid 28 and name HA ) (resid 28 and name HB#) 3.5 1.7 1.0  !!0.178E+08
assign (resid 28 and name HD2) (resid 28 and name HA)  5.0 3.2 0.0  !!0.178E+07
assign (resid 28 and name HD2) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.690E+07
!assign (resid 28 and name HD1) (resid 28 and name HA)  5.0 3.2 0.0  !!0.854E+06
!assign (resid 28 and name HD1) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.610E+07
assign (resid 28 and name HE1) (resid 28 and name HA ) 6.0 4.2 0.0 
assign (resid 28 and name HE1) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.121E+07
assign (resid 28 and name HE1) (resid 28 and name HD2) 5.0 3.2 0.0  !!0.466E+07

assign (resid 29 and name HN ) (resid 29 and name HA)  2.7 0.9 0.0  !!0.772E+08
assign (resid 29 and name HN ) (resid 29 and name HB#) 3.5 1.7 1.0  !!0.770E+07 or 0.784E+07
assign (resid 29 and name HN ) (resid 29 and name HG#) 3.5 1.7 1.0  !!0.218E+08 or 0.996E+07
!assign (resid 29 and name HH#) (resid 29 and name HA ) 5.0 3.2 1.0  !!0.326E+07
assign (resid 29 and name HH#) (resid 29 and name HB#) 5.0 3.2 2.0  !!0.678E+07 or 0.252E+07
assign (resid 29 and name HH#) (resid 29 and name HG#) 5.0 3.2 2.0  !!0.241E+07 or 0.180E+07
assign (resid 29 and name HH#) (resid 29 and name HD#) 3.5 1.7 2.0  !!0.104E+08
assign (resid 29 and name HA ) (resid 29 and name HB#) 2.7 0.9 1.0  !!0.440E+08
assign (resid 29 and name HA ) (resid 29 and name HG#) 3.5 1.7 1.0  !!0.208E+08 or 0.394E+08
assign (resid 29 and name HD#) (resid 29 and name HB#) 3.5 1.7 2.0  !!0.188E+08 or 0.255E+08
assign (resid 29 and name HD#) (resid 29 and name HG#) 2.7 0.9 2.0  !!0.332E+08 or 0.223E+08

assign (resid 30 and name HA ) (resid 30 and name HB#) 2.7 0.9 1.0  !!0.419E+08 or 0.396E+08
assign (resid 30 and name HN ) (resid 30 and name HA)  3.5 1.7 0.0  !!0.100E+08(?)
assign (resid 30 and name HN ) (resid 30 and name HB#) 3.5 1.7 1.0  !!0.147E+08 or 0.133E+08
!assign (resid 30 and name HD1) (resid 30 and name HA)  5.0 3.2 0.0  !!0.600E+07(?)
!assign (resid 30 and name HD1) (resid 30 and name HB#) 3.5 1.7 1.0
assign (resid 30 and name HD1) (resid 30 and name HE1) 2.7 0.9 0.0  !!0.518E+08
assign (resid 30 and name HE1) (resid 30 and name HZ2) 3.5 1.7 0.0
!assign (resid 30 and name HE1) (resid 30 and name HH2) 5.0 3.2 0.0
assign (resid 30 and name HE1) (resid 30 and name HB#) 5.0 3.2 1.0
assign (resid 30 and name HE3) (resid 30 and name HA)  6.0 4.2 0.0  !!0.344E+07
assign (resid 30 and name HE3) (resid 30 and name HB#) 3.5 1.7 1.0  !!0.137E+08 or 0.244E+08
assign (resid 30 and name HZ3) (resid 30 and name HB#) 5.0 3.2 1.0  !!0.223E+07

assign (resid 31 and name HN ) (resid 31 and name HA)  3.5 1.7 0.0  !!(d2o)0.795E+06
assign (resid 31 and name HN ) (resid 31 and name HB#) 2.7 0.9 1.0  !!0.510E+08 or 0.249E+08
assign (resid 31 and name HA ) (resid 31 and name HB#) 3.5 1.7 1.0  !!0.749E+06

assign (resid 32 and name HN ) (resid 32 and name HA)  5.0 3.2 0.0  !!(d2o)0.352E+06
assign (resid 32 and name HN ) (resid 32 and name HB#) 5.0 3.2 1.0  !!0.601E+07 or 0.652E+07
assign (resid 32 and name HN ) (resid 32 and name HG#) 3.5 1.7 1.0  !!0.866E+07
assign (resid 32 and name HN ) (resid 32 and name HD#) 5.0 3.2 1.0  !!0.164E+08
assign (resid 32 and name HA ) (resid 32 and name HB#) 2.7 0.9 1.0
assign (resid 32 and name HA ) (resid 32 and name HG#) 3.5 1.7 1.0
assign (resid 32 and name HA ) (resid 32 and name HD#) 5.0 3.2 1.0
assign (resid 32 and name HB#) (resid 32 and name HG#) 3.5 1.7 2.0
assign (resid 32 and name HB#) (resid 32 and name HD#) 3.5 1.7 2.0
assign (resid 32 and name HB#) (resid 32 and name HE#) 5.0 3.2 2.0
assign (resid 32 and name HE#) (resid 32 and name HG#) 3.5 1.7 2.0  !!0.435E+07
assign (resid 32 and name HE#) (resid 32 and name HD#) 3.5 1.7 2.0  !!0.332E+07 or 0.231E+07

assign (resid 33 and name HN ) (resid 33 and name HA)  5.0 3.2 0.0  !!0.436E+07
assign (resid 33 and name HN ) (resid 33 and name HB#) 2.7 0.9 1.0  !!0.185E+08 or 0.347E+08
assign (resid 33 and name HN ) (resid 33 and name HD#) 3.5 1.7 2.4  !!0.124E+08
assign (resid 33 and name HN ) (resid 33 and name HE#) 5.0 3.2 2.4  !!0.134E+07
assign (resid 33 and name HA ) (resid 33 and name HB#) 3.5 1.7 1.0  !!0.706E+07 or 0.677E+07
assign (resid 33 and name HD#) (resid 33 and name HA ) 3.5 1.7 2.4  !!0.107E+08
assign (resid 33 and name HD# )(resid 33 and name HB#) 2.7 0.9 3.4  !!0.414E+08 or 0.506E+08
assign (resid 33 and name HE# )(resid 33 and name HA ) 5.0 3.2 2.4
assign (resid 33 and name HE# )(resid 33 and name HB#) 5.0 3.2 3.4  !!0.206E+07 or 0.600E+07

assign (resid 34 and name HA ) (resid 34 and name HB#) 3.5 1.7 1.0  !!0.129E+08 or 0.261E+08 
assign (resid 34 and name HA ) (resid 34 and name HG#) 3.5 1.7 1.0  !!0.113E+08
assign (resid 34 and name HN ) (resid 34 and name HA)  3.5 1.7 0.0  !!0.140E+08
assign (resid 34 and name HN ) (resid 34 and name HB#) 3.5 1.7 1.0  !!0.157E+08 or 0.202E+08
assign (resid 34 and name HN ) (resid 34 and name HG#) 3.5 1.7 1.0  !!0.966E+07

assign (resid 35 and name HN ) (resid 35 and name HA)  3.5 1.7 0.0  !!0.894E+07
assign (resid 35 and name HN ) (resid 35 and name HB)  3.5 1.7 0.0  !!0.172E+08
assign (resid 35 and name HN ) (resid 35 and name HG1#)5.0 3.2 1.0  !!0.231E+07
assign (resid 35 and name HN ) (resid 35 and name HG2#)5.0 3.2 1.0  !!
assign (resid 35 and name HN ) (resid 35 and name HD#) 5.0 3.2 1.0 
assign (resid 35 and name HA ) (resid 35 and name HB ) 5.0 3.2 0.0  !!0.606E+07
assign (resid 35 and name HA ) (resid 35 and name HG1#)5.0 3.2 1.0 
assign (resid 35 and name HA ) (resid 35 and name HG2#)5.0 3.2 1.0  !!0.917E+07
assign (resid 35 and name HA ) (resid 35 and name HD#) 5.0 3.2 1.0  !!0.321E+07


!Sequential NOE constrains(number=93)
assign (resid 1 and name HA)   (resid 2 and name HB#)  5.0 3.2 1.0

assign (resid 2 and name HN)   (resid 1 and name HA)   2.7 0.9 0.0  !!0.517E+08
assign (resid 2 and name HN)   (resid 1 and name HB#)  3.5 1.7 1.0  !!0.996E+07
!assign (resid 2 and name HN)   (resid 1 and name HG#)  5.0 3.2 1.0
assign (resid 2 and name HA)   (resid 1 and name HA)   5.0 3.2 0.0  !!(d2o)0.326E+06
assign (resid 2 and name HA)   (resid 1 and name HB#)  5.0 3.2 1.0
!assign (resid 2 and name HA)   (resid 1 and name HG#)  5.0 3.2 1.0
assign (resid 2 and name HA)   (resid 3 and name HA )  5.0 3.2 0.0
assign (resid 2 and name HA)   (resid 3 and name HG )  5.0 3.2 0.0  !!0.736E+07
assign (resid 2 and name HA )  (resid 3 and name HD#)  5.0 3.2 2.4

assign (resid 3 and name HN )  (resid 2 and name HB#)  3.5 1.7 1.0  !!0.104E+08 or 0.265E+08
assign (resid 3 and name HN )  (resid 2 and name HA)   3.5 1.7 0.0  !!0.256E+08

assign (resid 4 and name HN )  (resid 3 and name HB#)  3.5 1.7 1.0  !!0.689E+07 or 0.106E+08
assign (resid 4 and name HN )  (resid 3 and name HA)   2.7 0.9 0.0  !!0.400E+08
assign (resid 4 and name HN )  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.204E+07 or 0.795E+07
assign (resid 4 and name HN )  (resid 3 and name HN)   5.0 3.2 0.0  !!0.217E+07

assign (resid 5 and name HN )  (resid 4 and name HA#)  2.7 0.9 1.0  !!0.340E+08 or 0.375E+08
assign (resid 5 and name HN )  (resid 4 and name HN)   5.0 3.2 0.0  !!0.346E+07
!assign (resid 5 and name HD#)  (resid 6 and name HA#)  5.0 3.2 3.4  !!(d2o)
assign (resid 5 and name HE#)  (resid 6 and name HA#)  5.0 3.2 3.4  !!(d2o)

assign (resid 6 and name HN )  (resid 5 and name HA)   2.7 0.9 0.0  !!0.500E+08
assign (resid 6 and name HN )  (resid 5 and name HB#)  5.0 3.2 1.0  !!0.517E+07 o
assign (resid 6 and name HN )  (resid 5 and name HD#)  5.0 3.2 2.4  !!0.800E+07

assign (resid 7 and name HN )  (resid 6 and name HA#)  3.5 1.7 1.0  !!0.800E+07
assign (resid 7 and name HN )  (resid 6 and name HN)   3.5 1.7 0.0  !!(d2o)

assign (resid 8 and name HN )  (resid 7 and name HN)   5.0 3.2 0.0  !!0.207E+07
assign (resid 8 and name HN )  (resid 7 and name HA)   2.7 0.9 0.0  !!0.690E+08
assign (resid 8 and name HN )  (resid 7 and name HB#)  3.5 1.7 1.0  !!0.627E+07 or 0.169E+08
assign (resid 8 and name HN )  (resid 7 and name HG#)  5.0 3.2 1.0
assign (resid 8 and name HN )  (resid 7 and name HD#)  5.0 3.2 1.0  !!0.687E+07

assign (resid 9 and name HN )  (resid 8 and name HN )  5.0 3.2 0.0
assign (resid 9 and name HN )  (resid 8 and name HA#)  3.5 1.7 1.0  !!0.160E+08 or 0.119E+08
assign (resid 9 and name HA )  (resid 10 and name HB#) 5.0 3.2 1.0  !!(d2o)0.229E+06

assign (resid 10 and name HN ) (resid 9 and name HN)   5.0 3.2 0.0  !!0.112E+07
assign (resid 10 and name HN ) (resid 9 and name HB#)  3.5 1.7 1.0  !!0.250E+08
assign (resid 10 and name HN ) (resid 11 and name HD#) 5.0 3.2 1.0     
assign (resid 10 and name HA ) (resid 11 and name HD#) 2.7 0.9 1.0  !!0.401E+08 or 0.539E+08
assign (resid 10 and name HA ) (resid 11 and name HB#) 5.0 3.2 1.0  !!(d2o)0.629E+06 or 0.234E+06
assign (resid 10 and name HA ) (resid 11 and name HG#) 5.0 3.2 1.0  !!(d2o)0.449E+06
assign (resid 10 and name HB#) (resid 11 and name HD#) 5.0 3.2 2.0

assign (resid 12 and name HN ) (resid 11 and name HA)  5.0 3.2 0.0  !!0.382E+07
assign (resid 12 and name HN ) (resid 11 and name HB#) 3.5 1.7 1.0  !!0.905E+07 or 0.852E+07
assign (resid 12 and name HN ) (resid 11 and name HD#) 5.0 3.2 1.0 
!assign (resid 12 and name HN ) (resid 13 and name HB#) 5.0 3.2 1.0  !!
assign (resid 12 and name HA ) (resid 13 and name HB#) 6.0 4.2 1.0 
assign (resid 12 and name HB#) (resid 13 and name HB#) 5.0 3.2 2.0

assign (resid 13 and name HN ) (resid 12 and name HN)  2.7 0.9 0.0  !!0.400E+08
assign (resid 13 and name HN ) (resid 12 and name HA)  5.0 3.2 0.0  !!0.769E+07
assign (resid 13 and name HN ) (resid 12 and name HB#) 5.0 3.2 1.0  !!0.470E+07
assign (resid 13 and name HN ) (resid 14 and name HA)  5.0 3.2 0.0  !!0.323E+07
assign (resid 13 and name HN ) (resid 14 and name HB#) 5.0 3.2 1.0
assign (resid 13 and name HA ) (resid 14 and name HB#) 5.0 3.2 1.0
  
assign (resid 14 and name HN ) (resid 13 and name HN)  3.5 1.7 0.0  !!0.148E+08
assign (resid 14 and name HN ) (resid 13 and name HA)  3.5 1.7 0.0  !!0.177E+08
assign (resid 14 and name HN ) (resid 13 and name HB#) 5.0 3.2 1.0  !!0.219E+07
assign (resid 14 and name HA ) (resid 15 and name HB#) 5.0 3.2 1.0
!assign (resid 14 and name HA ) (resid 15 and name HG#) 5.0 3.2 1.0

assign (resid 15 and name HN ) (resid 14 and name HN)  5.0 3.2 0.0  !!0.186E+07
assign (resid 15 and name HN ) (resid 14 and name HA)  2.7 0.9 0.0  !!0.586E+08
assign (resid 15 and name HN ) (resid 14 and name HB#) 5.0 3.2 1.0

assign (resid 16 and name HN ) (resid 15 and name HN)  3.5 1.7 0.0  !!0.232E+08
assign (resid 16 and name HN ) (resid 15 and name HA)  5.0 3.2 0.0  !!0.516E+07
assign (resid 16 and name HN ) (resid 15 and name HB#) 5.0 3.2 1.0  !!0.582E+07
assign (resid 16 and name HN ) (resid 15 and name HG#) 5.0 3.2 1.0  !!

assign (resid 17 and name HN ) (resid 16 and name HA)  3.5 1.7 0.0  !!0.158E+08
assign (resid 17 and name HN ) (resid 16 and name HB#) 3.5 1.7 1.0  !!0.125E+08 or 

assign (resid 18 and name HN ) (resid 17 and name HN)  5.0 3.2 0.0
assign (resid 18 and name HN ) (resid 17 and name HA)  3.5 1.7 0.0  !!0.236E+08
assign (resid 18 and name HN ) (resid 17 and name HB#) 5.0 3.2 1.0  !!0.820E+07 or 0.239E+07

assign (resid 19 and name HN ) (resid 18 and name HB#) 3.5 1.7 1.0  !!0.161E+08
assign (resid 19 and name HN ) (resid 18 and name HG#) 5.0 3.2 1.0  !!0.170E+07

assign (resid 20 and name HN ) (resid 19 and name HN)  3.5 1.7 0.0  !!0.212E+08
assign (resid 20 and name HN ) (resid 19 and name HA)  5.0 3.2 0.0  !!0.631E+07
assign (resid 20 and name HN ) (resid 19 and name HB#) 5.0 3.2 1.0  !!0.290E+07
assign (resid 20 and name HN ) (resid 21 and name HA)  5.0 3.2 0.0  !!0.356E+07
assign (resid 20 and name HA ) (resid 21 and name HB#) 5.0 3.2 1.0

assign (resid 21 and name HN ) (resid 20 and name HN)  2.7 0.9 0.0  !!0.395E+08
!assign (resid 21 and name HN ) (resid 20 and name HB#) 5.0 3.2 1.0 
!assign (resid 21 and name HN ) (resid 22 and name HB#) 5.0 3.2 1.0
!assign (resid 21 and name HN ) (resid 22 and name HG)  5.0 3.2 0.0

assign (resid 22 and name HN ) (resid 21 and name HN)  3.5 1.7 0.0  !!0.213E+08
assign (resid 22 and name HN ) (resid 21 and name HA)  3.5 1.7 0.0  !!0.184E+08
assign (resid 22 and name HN ) (resid 21 and name HB#) 5.0 3.2 1.0  !!(d2o)
!assign (resid 22 and name HA ) (resid 21 and name HA ) 5.0 3.2 0.0  !!(d2o)
!assign (resid 22 and name HA ) (resid 21 and name HB#) 5.0 3.2 1.0  !!(d2o)
assign (resid 22 and name HA ) (resid 23 and name HA ) 5.0 3.2 0.0  !!(d2o)

assign (resid 23 and name HN ) (resid 22 and name HN)  5.0 3.2 0.0  !!
assign (resid 23 and name HN ) (resid 22 and name HA)  2.7 0.9 0.0  !!0.426E+08
assign (resid 23 and name HN ) (resid 22 and name HB#) 3.5 1.7 1.0  !!0.940E+07
assign (resid 23 and name HN ) (resid 22 and name HG)  5.0 3.2 0.0  !!0.272E+07
assign (resid 23 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.944E+07
assign (resid 23 and name HN ) (resid 24 and name HA)  5.0 3.2 0.0  !!(d2o)
assign (resid 23 and name HA ) (resid 24 and name HB#) 5.0 3.2 1.0  !!0.398E+07
  
assign (resid 24 and name HN ) (resid 23 and name HN)  5.0 3.2 0.0  !!0.115E+07
assign (resid 24 and name HN ) (resid 23 and name HA)  2.7 0.9 0.0  !!0.599E+08
assign (resid 24 and name HN ) (resid 23 and name HB)  3.5 1.7 0.0  !!0.139E+08
assign (resid 24 and name HN ) (resid 23 and name HG#) 5.0 3.2 2.4  !!0.153E+08 or 0.368E+07
!assign (resid 24 and name HA ) (resid 23 and name HB)  5.0 3.2 0.0
assign (resid 24 and name HA ) (resid 23 and name HG#) 5.0 3.2 2.4
!assign (resid 24 and name HA ) (resid 25 and name HB#) 5.0 3.2 1.0

assign (resid 25 and name HN ) (resid 24 and name HN)  5.0 3.2 0.0  !!0.210E+07
assign (resid 25 and name HN ) (resid 24 and name HA)  2.7 0.9 0.0  !!0.346E+08
assign (resid 25 and name HN ) (resid 24 and name HB#) 5.0 3.2 1.0  !!0.392E+07 or 0.310E+07
!assign (resid 25 and name HN ) (resid 26 and name HA)  5.0 3.2 0.0

assign (resid 26 and name HN ) (resid 25 and name HN)  5.0 3.2 0.0
assign (resid 26 and name HN ) (resid 25 and name HA)  2.7 0.9 0.0  !!0.317E+08
assign (resid 26 and name HN ) (resid 25 and name HB#) 5.0 3.2 1.0  !!0.818E+06 

assign (resid 27 and name HN ) (resid 26 and name HN)  3.5 1.7 0.0  !!0.856E+07
assign (resid 27 and name HN ) (resid 26 and name HA)  5.0 3.2 0.0  !!0.168E+08
assign (resid 27 and name HN ) (resid 26 and name HB#) 3.5 1.7 1.0  !!0.781E+07
assign (resid 27 and name HA ) (resid 26 and name HB#) 5.0 3.2 1.0  !!0.856E+07

assign (resid 28 and name HN ) (resid 27 and name HN)  3.5 1.7 0.0  !!0.291E+07
assign (resid 28 and name HN ) (resid 27 and name HA)  5.0 3.2 0.0  !!0.930E+07
assign (resid 28 and name HN ) (resid 27 and name HB#) 3.5 1.7 1.0  !!0.741E+07
!assign (resid 28 and name HD1) (resid 27 and name HB#) 5.0 3.2 1.0  !!0.174E+07
assign (resid 28 and name HD2) (resid 27 and name HB#) 5.0 3.2 1.0  !!(d2o)
assign (resid 28 and name HE1) (resid 27 and name HB#) 6.0 4.2 1.0  !!(d2o)
assign (resid 28 and name HE1) (resid 27 and name HG#) 6.0 4.2 1.0  !!(d2o)
assign (resid 28 and name HE1) (resid 27 and name HE#) 6.0 4.2 1.0  !!(d2o)
assign (resid 28 and name HN ) (resid 29 and name HA)  5.0 3.2 0.0

assign (resid 29 and name HN ) (resid 28 and name HN)  3.5 1.7 0.0  !!0.281E+08
assign (resid 29 and name HN ) (resid 28 and name HA)  3.5 1.7 0.0  !!0.840E+07
assign (resid 29 and name HN ) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.487E+07
!!assign (resid 29 and name HN ) (resid 30 and name HA)  5.0 3.2 0.0

assign (resid 30 and name HN ) (resid 29 and name HN)  3.5 1.7 0.0  !!0.875E+07
assign (resid 30 and name HN ) (resid 29 and name HA)  3.5 1.7 0.0  !!0.209E+08
assign (resid 30 and name HN ) (resid 29 and name HB#) 5.0 3.2 1.0  !!(d2o)
!assign (resid 30 and name HN ) (resid 29 and name HG#) 5.0 3.2 1.0
assign (resid 30 and name HN ) (resid 31 and name HA)  5.0 3.2 0.0 
assign (resid 30 and name HA ) (resid 29 and name HA)  5.0 3.2 0.0 
!assign (resid 30 and name HA ) (resid 29 and name HB#) 5.0 3.2 1.0  !!(d2o)
assign (resid 30 and name HA ) (resid 31 and name HA)  5.0 3.2 0.0 
assign (resid 30 and name HA ) (resid 31 and name HB#) 5.0 3.2 1.0
!assign (resid 30 and name HD1) (resid 29 and name HB#) 5.0 3.2 1.0
!assign (resid 30 and name HE3) (resid 31 and name HA)  5.0 3.2 0.0  !!(d2o)
assign (resid 30 and name HD1) (resid 31 and name HA)  5.0 3.2 0.0

assign (resid 31 and name HN ) (resid 30 and name HN ) 5.0 3.2 0.0  !!0.875E+07
assign (resid 31 and name HN ) (resid 30 and name HD1) 5.0 3.2 0.0
assign (resid 31 and name HN ) (resid 30 and name HA)  2.7 0.9 0.0  !!0.537E+08
assign (resid 31 and name HN ) (resid 30 and name HB#) 3.5 1.7 1.0  !!0.879E+07 or 0.249E+08(?)
assign (resid 31 and name HN ) (resid 30 and name HE3) 5.0 3.2 0.0  !!0.882E+07
assign (resid 31 and name HA ) (resid 32 and name HB#) 5.0 3.2 1.0
assign (resid 31 and name HA ) (resid 32 and name HG#) 6.0 4.2 1.0
!assign (resid 31 and name HA ) (resid 32 and name HD#) 5.0 3.2 1.0

assign (resid 32 and name HN ) (resid 31 and name HN)  5.0 3.2 0.0  !!(d2o)
assign (resid 32 and name HN ) (resid 31 and name HA)  2.7 0.9 0.0  !!0.346E+07
assign (resid 32 and name HN ) (resid 31 and name HB#) 5.0 3.2 1.0  !!0.249E+07 or 0.656E+07
assign (resid 32 and name HA ) (resid 31 and name HB#) 5.0 3.2 1.0

assign (resid 33 and name HN ) (resid 32 and name HN)  5.0 3.2 0.0
assign (resid 33 and name HN ) (resid 32 and name HB#) 3.5 1.7 1.0  !!0.273E+08 or 0.131E+08
!assign (resid 33 and name HN ) (resid 32 and name HG#) 5.0 3.2 1.0
!assign (resid 33 and name HN ) (resid 32 and name HD#) 5.0 3.2 1.0
!assign (resid 33 and name HA ) (resid 34 and name HA ) 5.0 3.2 0.0
!assign (resid 33 and name HA ) (resid 34 and name HB#) 5.0 3.2 1.0
assign (resid 33 and name HA ) (resid 34 and name HG#) 6.0 4.2 1.0
!assign (resid 33 and name HD#) (resid 32 and name HA ) 5.0 3.2 2.4  !!(d2o)
!assign (resid 33 and name HD#) (resid 32 and name HB#) 5.0 3.2 3.4  !!(d2o)
!!assign (resid 33 and name HE#) (resid 32 and name HA ) 5.0 3.2 2.4  !!(d2o)

assign (resid 34 and name HN ) (resid 33 and name HN ) 5.0 3.2 0.0  !!
assign (resid 34 and name HN ) (resid 33 and name HA)  3.5 1.7 0.0  !!0.243E+08
assign (resid 34 and name HN ) (resid 33 and name HB#) 3.5 1.7 1.0  !!0.118E+08 or 0.609E+07
assign (resid 34 and name HN ) (resid 33 and name HD#) 5.0 3.2 2.4  !!0.676E+07

assign (resid 35 and name HN ) (resid 34 and name HN)  5.0 3.2 0.0  !!0.659E+07
assign (resid 35 and name HN ) (resid 34 and name HA)  2.7 0.9 0.0  !!0.347E+08
assign (resid 35 and name HN ) (resid 34 and name HB#) 5.0 3.2 1.0  !!0.541E+07
assign (resid 35 and name HN ) (resid 34 and name HG#) 5.0 3.2 1.0  !!0.376E+07
!assign (resid 35 and name HA ) (resid 34 and name HG#) 5.0 3.2 1.0 

!Medium range NOE constraints (number=32)

!!assign (resid 3 and name HA )  (resid 1  and name HB#) 5.0 3.2 1.0
!!assign (resid 3 and name HA )  (resid 1  and name HG#) 5.0 3.2 1.0

assign (resid 4 and name HN )  (resid 7  and name HB#) 5.0 3.2 1.0  !!0.446E+07 
assign (resid 4 and name HN )  (resid 7  and name HG#) 3.5 1.7 1.0  !!0.195E+08 or 0.524E+07
!!assign (resid 4 and name HA )  (resid 7  and name HG#) 5.0 3.2 1.0

!assign (resid 5 and name HN )  (resid 7  and name HG#) 5.0 3.2 1.0 
assign (resid 5 and name HN )  (resid 7  and name HN ) 6.0 4.2 0.0 
!!assign (resid 5 and name HD#)  (resid 7  and name HG#) 5.0 3.2 3.4

assign (resid 7 and name HN )  (resid 3  and name HB#) 5.0 3.2 1.0  !!0.107E+07
!assign (resid 7 and name HN )  (resid 3  and name HD#) 5.0 3.2 2.4
assign (resid 7 and name HN )  (resid 5  and name HA)  5.0 3.2 0.0  !!0.795E+07
assign (resid 7 and name HN )  (resid 5  and name HB#) 5.0 3.2 1.0  !!(d2o)0.934E+05
!assign (resid 7 and name HA )  (resid 3  and name HB#) 5.0 3.2 1.0  !!(d2o)0.883E+05 or 0.855E+05
!assign (resid 7 and name HA )  (resid 5  and name HB#) 5.0 3.2 1.0
assign (resid 7 and name HB#)  (resid 3  and name HB#) 3.5 1.7 2.0  !!0.478E+08?
assign (resid 7 and name HB#)  (resid 3  and name HD#) 5.0 3.2 3.4  !!0.575E+07 or 0.756E+07

assign (resid 10 and name HN ) (resid 14 and name HA)  5.0 3.2 0.0  !!0.300E+07
assign (resid 10 and name HN ) (resid 13 and name HN)  5.0 3.2 0.0
assign (resid 10 and name HD2#)(resid 13 and name HB#) 3.5 1.7 2.0  !!0.918E+07 /0.915E+07
assign (resid 10 and name HD2#) (resid 12 and name HB#) 5.0 3.2 2.0  !!0.191E++07 or 0.471E+07

assign (resid 11 and name HA ) (resid 14 and name HB#) 5.0 3.2 1.0  !!0.580E+07

assign (resid 12 and name HN ) (resid 10 and name HA)  5.0 3.2 0.0  !!0.253E+07
assign (resid 12 and name HN ) (resid 10 and name HB#) 5.0 3.2 1.0
!assign (resid 12 and name HA ) (resid 14 and name HB#) 5.0 3.2 1.0

assign (resid 13 and name HN ) (resid 10 and name HA)  5.0 3.2 0.0
assign (resid 13 and name HN ) (resid 10 and name HB#) 3.5 1.7 1.0  !!0.114E+08 or 0.175E+07
assign (resid 13 and name HN ) (resid 11 and name HA)  5.0 3.2 0.0  !!0.433E+07
assign (resid 13 and name HN ) (resid 11 and name HB#) 5.0 3.2 1.0
assign (resid 13 and name HN ) (resid 11 and name HD#) 5.0 3.2 1.0

assign (resid 14 and name HN ) (resid 11 and name HA)  5.0 3.2 0.0  !!0.279E+07
assign (resid 14 and name HN ) (resid 12 and name HA)  5.0 3.2 0.0
assign (resid 14 and name HN ) (resid 12 and name HN)  6.0 4.2 0.0
!assign (resid 14 and name HA ) (resid 10 and name HB#) 5.0 3.2 1.0
!assign (resid 14 and name HA ) (resid 11 and name HA)  5.0 3.2 0.0

assign (resid 16 and name HN ) (resid 14 and name HA)  5.0 3.2 0.0  !!0.713E+07
assign (resid 16 and name HN ) (resid 14 and name HB#) 5.0 3.2 1.0

assign (resid 17 and name HN ) (resid 20 and name HN)  6.0 4.2 0.0
assign (resid 17 and name HN ) (resid 20 and name HB#) 5.0 3.2 1.0

assign (resid 18 and name HN ) (resid 20 and name HN)  5.0 3.2 0.0  !!0.146E+07
assign (resid 18 and name HN ) (resid 22 and name HN)  6.0 4.2 0.0

assign (resid 19 and name HN ) (resid 17 and name HA ) 5.0 3.2 0.0
assign (resid 19 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0  !!0.898E+07 or 0.299E+07

assign (resid 20 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0  !!0.800E+07 or 0.135E+08
assign (resid 20 and name HN ) (resid 22 and name HB#) 5.0 3.2 1.0
assign (resid 20 and name HN ) (resid 22 and name HG ) 5.0 3.2 0.0
assign (resid 20 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4
!assign (resid 20 and name HA ) (resid 17 and name HB#) 5.0 3.2 1.0
!!assign (resid 20 and name HA ) (resid 22 and name HB#) 5.0 3.2 1.0
!assign (resid 20 and name HA ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.751E+07 or 0.282E+07
assign (resid 20 and name HB#) (resid 17 and name HB#) 3.5 1.7 2.0  !!0.565E+07 or 0.144E+08
assign (resid 20 and name HB#) (resid 22 and name HB#) 5.0 3.2 2.0
assign (resid 20 and name HB#) (resid 22 and name HG ) 3.5 1.7 1.0
assign (resid 20 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4  !!0.240E+07 or 0.386E+07

assign (resid 21 and name HN ) (resid 19 and name HA)  5.0 3.2 0.0  !!0.865E+07
assign (resid 21 and name HN ) (resid 19 and name HN)  5.0 3.2 0.0  !!0.258E+07

assign (resid 22 and name HN ) (resid 18 and name HA)  3.5 1.7 0.0  !!0.167E+08
!assign (resid 22 and name HN ) (resid 20 and name HA)  5.0 3.2 0.0
assign (resid 22 and name HN ) (resid 20 and name HB#) 5.0 3.2 1.0  !!0.265E+07

!!assign (resid 25 and name HN ) (resid 23 and name HG#) 5.0 3.2 2.4
!!assign (resid 25 and name HN ) (resid 28 and name HB#) 5.0 3.2 1.0
assign (resid 25 and name HN  ) (resid 29 and name HA ) 5.0 3.2 0.0 
assign (resid 25 and name HB#) (resid 28 and name HB#) 5.0 3.2 2.0

assign (resid 28 and name HN ) (resid 25 and name HB#) 3.5 1.7 1.0  !!0.852E+07
!assign (resid 28 and name HD1) (resid 25 and name HB#) 5.0 3.2 1.0  !!0.148E+07 or 0.879E+06
assign (resid 28 and name HD2) (resid 25 and name HB#) 5.0 3.2 1.0  !!(d2o)
!assign (resid 28 and name HD2) (resid 32 and name HB#) 5.0 3.2 1.0
!assign (resid 28 and name HD2) (resid 32 and name HD#) 5.0 3.2 1.0  !!(d2o)

assign (resid 29 and name HN ) (resid 25 and name HB#) 5.0 3.2 1.0  !!0.461E+07 or 0.654E+07

!assign (resid 30 and name HD1 ) (resid 28 and name HA ) 5.0 3.2 0.0  !!0.232E+07
assign (resid 30 and name HD1 ) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.890E+07
assign (resid 30 and name HD1 ) (resid 32 and name HB#) 5.0 3.2 1.0  !!0.122E+08 or 0.340E+07
assign (resid 30 and name HD1 ) (resid 32 and name HG#) 5.0 3.2 1.0  !!0.278E+07
!assign (resid 30 and name HD1 ) (resid 32 and name HD#) 5.0 3.2 1.0
!assign (resid 30 and name HA  ) (resid 28 and name HB#) 5.0 3.2 1.0
assign (resid 30 and name HN  ) (resid 28 and name HA ) 5.0 3.2 0.0  !!(d2o)
assign (resid 30 and name HN  ) (resid 28 and name HB#) 5.0 3.2 1.0  !!(d2o)
!assign (resid 30 and name HN ) (resid 32 and name HB#) 5.0 3.2 1.0  !!(d2o)
!assign (resid 30 and name HN ) (resid 32 and name HG#) 5.0 3.2 1.0
assign (resid 30 and name HE1 ) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.580E+07
assign (resid 30 and name HE1 ) (resid 32 and name HB#) 5.0 3.2 1.0  !!0.133E+07 or 0.400E+07
assign (resid 30 and name HE1 ) (resid 32 and name HG#) 5.0 3.2 1.0
!assign (resid 30 and name HE3 ) (resid 28 and name HA ) 6.0 4.2 0.0
assign (resid 30 and name HE3 ) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.331E+07
!assign (resid 30 and name HH2 ) (resid 32 and name HA ) 5.0 3.2 0.0  !!(d2o)
!assign (resid 30 and name HH2 ) (resid 32 and name HB#) 5.0 3.2 1.0  !!(d2o)
!assign (resid 30 and name HZ2 ) (resid 28 and name HA ) 6.0 4.2 0.0
assign (resid 30 and name HZ2 ) (resid 28 and name HB#) 5.0 3.2 1.0
assign (resid 30 and name HZ2 ) (resid 32 and name HA ) 5.0 3.2 0.0  !!(d2o)
assign (resid 30 and name HZ2 ) (resid 32 and name HB#) 5.0 3.2 1.0  !!(d2o)
!!assign (resid 30 and name HZ3) (resid 32 and name HE#) 5.0 3.2 1.0  !!(d2o)


assign (resid 32 and name HN ) (resid 30 and name HD1)  5.0 3.2 0.0  !!(d2o)
!assign (resid 32 and name HN ) (resid 34 and name HA )  5.0 3.2 0.0

!!assign (resid 34 and name HA ) (resid 32 and name HG#) 5.0 3.2 1.0  !!(d2o)
!!assign (resid 34 and name HA ) (resid 32 and name HD#) 5.0 3.2 1.0  !!(d2o)

!assign (resid 35 and name HN ) (resid 33 and name HB#) 5.0 3.2 1.0

!Long range NOE constraints(number=34)


!assign (resid 2 and name HA )  (resid 15 and name HG#) 5.0 3.2 1.0  !!(d2o)
assign (resid 2 and name HA )  (resid 15 and name HB#) 5.0 3.2 1.0  !!0.143E+07
assign (resid 2 and name HA )  (resid 17 and name HA)  5.0 3.2 0.0  !!(d2o)0.635E+06

assign (resid 3 and name HN )  (resid 15 and name HB#) 5.0 3.2 1.0  !!0.520E+07
assign (resid 3 and name HN )  (resid 15 and name HA)  5.0 3.2 0.0 
assign (resid 3 and name HN )  (resid 16 and name HA)  5.0 3.2 0.0 
assign (resid 3 and name HN )  (resid 16 and name HN)  5.0 3.2 0.0  !!
assign (resid 3 and name HN )  (resid 17 and name HN)  3.5 1.7 0.0  !!0.886E+07
assign (resid 3 and name HN )  (resid 17 and name HA)  5.0 3.2 0.0  !!0.268E+06

assign (resid 4 and name HN )  (resid 17 and name HN)  6.0 4.2 0.0  !!
assign (resid 4 and name HA#)  (resid 17 and name HB#) 5.0 3.2 2.0
!!assign (resid 4 and name HA#)  (resid 22 and name HG)  5.0 3.2 1.0
assign (resid 4 and name HA#)  (resid 22 and name HD#) 3.5 1.7 3.4  !!0.331E+08

assign (resid 5 and name HN )  (resid 22 and name HG ) 6.0 4.2 0.0
assign (resid 5 and name HN )  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.225E+07 or 0.623E+07
assign (resid 5 and name HN )  (resid 31 and name HB#) 5.0 3.2 1.0
assign (resid 5 and name HA )  (resid 22 and name HD#) 3.5 1.7 2.4  !!0.161E+08 or 0.251E+08
assign (resid 5 and name HA )  (resid 31 and name HB#) 5.0 3.2 1.0  !!0.747E+07 or 0.436E+07
assign (resid 5 and name HB#)  (resid 22 and name HD#) 5.0 3.2 3.4
!!assign (resid 5 and name HD#)  (resid 22 and name HB#) 5.0 3.2 3.4
assign (resid 5 and name HD#)  (resid 22 and name HD#) 5.0 3.2 4.8  !!0.423E+07 or 0.436E+07
assign (resid 5 and name HD#)  (resid 31 and name HB#) 5.0 3.2 3.4
assign (resid 5 and name HD#)  (resid 32 and name HA ) 3.5 1.7 2.4
!!assign (resid 5 and name HD#)  (resid 32 and name HB#) 5.0 3.2 3.4
!!assign (resid 5 and name HD#)  (resid 33 and name HA ) 5.0 3.2 2.4
assign (resid 5 and name HD#)  (resid 33 and name HN ) 5.0 3.2 2.4  !!0.800E+07
assign (resid 5 and name HE#)  (resid 22 and name HD#) 5.0 3.2 4.8  !!0.542E+07
assign (resid 5 and name HE#)  (resid 32 and name HA)  3.5 1.7 2.4  !!(d2o)0.240E+07
assign (resid 5 and name HE#)  (resid 32 and name HB#) 5.0 3.2 3.4  !!0.498E+07 or 0.418E+07
assign (resid 5 and name HE#)  (resid 32 and name HG#) 5.0 3.2 3.4  !!(d2o)
assign (resid 5 and name HE#)  (resid 32 and name HD#) 5.0 3.2 3.4  !!0.799E+06
assign (resid 5 and name HE#)  (resid 33 and name HN ) 5.0 3.2 2.4  !!0.116E+08
!!assign (resid 5 and name HE#)  (resid 33 and name HA ) 5.0 3.2 2.4
assign (resid 5 and name HE#)  (resid 33 and name HB#) 5.0 3.2 3.4  !!0.104E+08

!assign (resid 6 and name HN )  (resid 22 and name HD#) 5.0 3.2 2.4  !!
assign (resid 6 and name HN )  (resid 30 and name HE1) 6.0 4.2 0.0
assign (resid 6 and name HN )  (resid 30 and name HE3) 5.0 3.2 0.0  !!(d2o)
assign (resid 6 and name HN )  (resid 31 and name HB#) 5.0 3.2 1.0  !!(d2o)0.186E+06
assign (resid 6 and name HA#)  (resid 30 and name HB#) 5.0 3.2 2.0

assign (resid 7 and name HN )  (resid 30 and name HA ) 5.0 3.2 0.0
assign (resid 7 and name HN )  (resid 31 and name HB#) 3.5 1.7 1.0  !!0.169E+08 or 0.667E+07
assign (resid 7 and name HN )  (resid 31 and name HN ) 3.5 1.7 0.0
!!assign (resid 7 and name HA )  (resid 15 and name HB#) 5.0 3.2 1.0
!!assign (resid 7 and name HA )  (resid 15 and name HG#) 5.0 3.2 1.0
assign (resid 7 and name HA )  (resid 30 and name HB#) 5.0 3.2 1.0

!assign (resid 8 and name HN )  (resid 30 and name HB#) 5.0 3.2 1.0 
assign (resid 8 and name HA#)  (resid 30 and name HB#) 5.0 3.2 2.0 

!assign (resid 9 and name HA )  (resid 3  and name HB#) 5.0 3.2 1.0
!assign (resid 9 and name HA )  (resid 3  and name HG ) 5.0 3.2 0.0
assign (resid 9 and name HA )  (resid 3  and name HD#) 5.0 3.2 2.4
!assign (resid 9 and name HA )  (resid 14 and name HA)  5.0 3.2 0.0
!assign (resid 9 and name HA )  (resid 15 and name HB#) 5.0 3.2 1.0
!assign (resid 9 and name HA )  (resid 15 and name HG#) 5.0 3.2 1.0
!!assign (resid 9 and name HA )  (resid 29 and name HB#) 5.0 3.2 1.0  !!(d2o)0.116E+06
assign (resid 9 and name HB#)  (resid 3  and name HD#) 5.0 3.2 3.4
assign (resid 9 and name HN )  (resid 29 and name HA)  5.0 3.2 0.0
assign (resid 9 and name HN )  (resid 29 and name HB#) 5.0 3.2 1.0  !!0.876E+07 or 0.192E+07
assign (resid 9 and name HN )  (resid 30 and name HA)  3.5 1.7 0.0  !!0.211E+08
assign (resid 9 and name HN )  (resid 30 and name HB#) 5.0 3.2 1.0  !!(d2o)0.811E+05
assign (resid 9 and name HN )  (resid 30 and name HN)  5.0 3.2 0.0  !!(d2o)
assign (resid 9 and name HN )  (resid 31 and name HN)  5.0 3.2 0.0  !!(d2o)

!assign (resid 10 and name HN)  (resid 3  and name HD#) 5.0 3.2 2.4  !!0.118E+07
assign (resid 10 and name HN)  (resid 15 and name HN)  5.0 3.2 0.0
assign (resid 10 and name HA)  (resid 29 and name HB#) 6.0 4.2 1.0  !!(d2o)
assign (resid 10 and name HA)  (resid 29 and name HG#) 6.0 4.2 1.0  !!(d2o)0.366E+06

assign (resid 11 and name HA)  (resid 24 and name HB#) 2.7 0.9 1.0  !!0.166E+08 or 0.522E+08(?)
assign (resid 11 and name HG#) (resid 26 and name HG#) 5.0 3.2 2.0
assign (resid 11 and name HG#) (resid 29 and name HG#) 5.0 3.2 2.0
assign (resid 11 and name HD#) (resid 29 and name HB#) 5.0 3.2 2.0
assign (resid 11 and name HD#) (resid 29 and name HG#) 5.0 3.2 2.0  !!0.263E+07
assign (resid 11 and name HD#) (resid 29 and name HD#) 5.0 3.2 2.0

!!assign (resid 12 and name HN)  (resid 24 and name HB#) 5.0 3.2 1.0  !!(d2o)

assign (resid 14 and name HA)  (resid 24 and name HB#) 3.5 1.7 1.0  !!0.908E+07
!!assign (resid 14 and name HA)  (resid 3  and name HG ) 5.0 3.2 0.0

assign (resid 15 and name HN)  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.633E+07
assign (resid 15 and name HN)  (resid 9 and name HB#)  5.0 3.2 1.0
assign (resid 15 and name HN)  (resid 24 and name HB#)  5.0 3.2 1.0
assign (resid 15 and name HA)  (resid 3 and name HG )  6.0 4.2 0.0
assign (resid 15 and name HA)  (resid 3 and name HD#)  5.0 3.2 2.4
!assign (resid 15 and name HB#) (resid 3 and name HD#)  5.0 3.2 3.4  !!0.133E+08
assign (resid 15 and name HB#) (resid 3 and name HG )  3.5 1.7 1.0  !!0.119E+08

assign (resid 16 and name HN)  (resid 3 and name HB#)  5.0 3.2 1.0
assign (resid 16 and name HN)  (resid 3 and name HG )  6.0 4.2 0.0
assign (resid 16 and name HN)  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.338E+07 
!assign (resid 16 and name HN)  (resid 9 and name HB#)  5.0 3.2 1.0
!!assign (resid 16 and name HN)  (resid 22 and name HB#) 5.0 3.2 1.0
assign (resid 16 and name HN)  (resid 23 and name HA)  5.0 3.2 0.0  !!0.190E+07
assign (resid 16 and name HN)  (resid 24 and name HB#) 5.0 3.2 1.0  !!0.551E+07
!assign (resid 16 and name HA)  (resid 3 and name HA )  5.0 3.2 0.0
assign (resid 16 and name HA)  (resid 3 and name HB#)  3.5 1.7 1.0  !!0.383E+07
assign (resid 16 and name HA)  (resid 3 and name HG )  5.0 3.2 0.0
assign (resid 16 and name HA)  (resid 3 and name HD#)  5.0 3.2 2.4
assign (resid 16 and name HB#) (resid 3 and name HB#)  6.0 4.2 2.0
assign (resid 16 and name HB#) (resid 22 and name HB#) 2.7 0.9 2.0  !!0.131E+08 or 0.170E+08
assign (resid 16 and name HB#) (resid 22 and name HG)  5.0 3.2 1.0 
assign (resid 16 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4  !!

assign (resid 17 and name HA)  (resid 2 and name HB#)  3.5 1.7 1.0  !!0.488E+07
!assign (resid 17 and name HN)  (resid 2 and name HA )  5.0 3.2 0.0
assign (resid 17 and name HN)  (resid 2 and name HB#)  5.0 3.2 1.0  !!0.296E+07
assign (resid 17 and name HN)  (resid 3 and name HA )  5.0 3.2 0.0
assign (resid 17 and name HN)  (resid 3 and name HB#)  5.0 3.2 1.0  !!0.210E+07
assign (resid 17 and name HN)  (resid 3 and name HG )  6.0 4.2 0.0
assign (resid 17 and name HN)  (resid 4 and name HA#)  5.0 3.2 1.0  !!0.317E+07
!assign (resid 17 and name HN)  (resid 22 and name HN ) 5.0 3.2 0.0
assign (resid 17 and name HN)  (resid 22 and name HB#) 5.0 3.2 1.0  !!0.235E+06
assign (resid 17 and name HN)  (resid 22 and name HG ) 5.0 3.2 0.0
assign (resid 17 and name HN)  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.196E+08 or 0.883E+07
assign (resid 17 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4

assign (resid 18 and name HN)  (resid 2 and name HB#)  5.0 3.2 1.0 

assign (resid 21 and name HB#) (resid 34 and name HB#) 5.0 3.2 2.0
assign (resid 21 and name HB#) (resid 34 and name HG#) 5.0 3.2 2.0

assign (resid 22 and name HN)  (resid 16 and name HB#) 5.0 3.2 1.0  !!(d2o)0.117E+06 or 0.226E+07
assign (resid 22 and name HA)  (resid 16 and name HB#) 5.0 3.2 1.0  !!(d2o)
assign (resid 22 and name HA)  (resid 31 and name HB#) 5.0 3.2 1.0  !!(d2o)
!assign (resid 22 and name HA)  (resid 34 and name HB#) 5.0 3.2 1.0  !!(d2o)
!assign (resid 22 and name HA)  (resid 34 and name HG#) 5.0 3.2 1.0  !!(d2o)

!!assign (resid 23 and name HN)  (resid 5  and name HB#) 5.0 3.2 1.0
assign (resid 23 and name HN)  (resid 16 and name HB#) 5.0 3.2 1.0
assign (resid 23 and name HN)  (resid 31 and name HA)  5.0 3.2 0.0  !!(d2o)0.118E+06
assign (resid 23 and name HN)  (resid 31 and name HB#) 5.0 3.2 1.0  !!0.267E+07
assign (resid 23 and name HN)  (resid 32 and name HN)  3.5 1.7 0.0  !!0.177E+08
assign (resid 23 and name HN)  (resid 32 and name HA)  5.0 3.2 0.0  !!(d2o)0.591E+05
assign (resid 23 and name HN)  (resid 32 and name HB#) 5.0 3.2 1.0  !!(d2o)0.558E+05
assign (resid 23 and name HN)  (resid 32 and name HG#) 5.0 3.2 1.0  !!(d2o)0.138E+06
!assign (resid 23 and name HN)  (resid 33 and name HD#) 5.0 3.2 2.4  !!(d2o)
assign (resid 23 and name HN)  (resid 34 and name HN)  5.0 3.2 0.0
assign (resid 23 and name HN)  (resid 34 and name HG#) 5.0 3.2 1.0  !!(d2o)
 !!assign (resid 23 and name HN)  (resid 30 and name HD1) 5.0 3.2 0.0  !!(d2o)
assign (resid 23 and name HA)  (resid 16 and name HB#) 3.5 1.7 1.0  !!0.180E+08 or 0.640E+07
!assign (resid 23 and name HA)  (resid 31 and name HB#) 5.0 3.2 1.0
!assign (resid 23 and name HA)  (resid 34 and name HG#) 5.0 3.2 1.0

!assign (resid 24 and name HN)  (resid 14 and name HN)  5.0 3.2 0.0
assign (resid 24 and name HN)  (resid 16 and name HN)  5.0 3.2 0.0
assign (resid 24 and name HN)  (resid 11 and name HA)  5.0 3.2 0.0  !!0.265E+07
assign (resid 24 and name HN)  (resid 14 and name HA)  5.0 3.2 0.0
assign (resid 24 and name HN)  (resid 16 and name HB#) 5.0 3.2 1.0  !!0.497E+07
assign (resid 24 and name HA)  (resid 9  and name HB#) 5.0 3.2 1.0
assign (resid 24 and name HA)  (resid 11 and name HA)  5.0 3.2 0.0
!!assign (resid 24 and name HA)  (resid 11 and name HB#) 5.0 3.2 1.0
assign (resid 24 and name HA)  (resid 16 and name HB#) 5.0 3.2 1.0
!assign (resid 24 and name HA)  (resid 32 and name HD#) 5.0 3.2 1.0
assign (resid 24 and name HB#) (resid 11 and name HB#) 5.0 3.2 2.0


!!assign (resid 25 and name HN)  (resid 11 and name HB#) 5.0 3.2 1.0
!assign (resid 25 and name HN)  (resid 11 and name HD#) 5.0 3.2 1.0
assign (resid 25 and name HN)  (resid 30 and name HN)  5.0 3.2 0.0  !!0.125E+08
assign (resid 25 and name HN)  (resid 30 and name HD1) 5.0 3.2 0.0
assign (resid 25 and name HN)  (resid 30 and name HA)  5.0 3.2 0.0
assign (resid 25 and name HN)  (resid 31 and name HA)  5.0 3.2 0.0
!assign (resid 25 and name HN)  (resid 31 and name HN)  5.0 3.2 0.0
assign (resid 25 and name HN)  (resid 32 and name HN)  5.0 3.2 0.0  !!0.398E+07
assign (resid 25 and name HN)  (resid 32 and name HB#) 5.0 3.2 1.0
!!assign (resid 25 and name HN)  (resid 32 and name HG#) 5.0 3.2 1.0
!!assign (resid 25 and name HN)  (resid 32 and name HD#) 5.0 3.2 1.0
assign (resid 25 and name HB#) (resid 32 and name HB#) 5.0 3.2 2.0
assign (resid 25 and name HB#) (resid 32 and name HG#) 5.0 3.2 2.0  !!0.510E+07 or 0.165E+08(?)
assign (resid 25 and name HB#) (resid 32 and name HD#) 5.0 3.2 2.0

assign (resid 26 and name HN)  (resid 11 and name HB#) 5.0 3.2 1.0
assign (resid 26 and name HD#) (resid 11 and name HG#) 5.0 3.2 2.0

assign (resid 30 and name HD1)  (resid 6  and name HA#) 5.0 3.2 1.0  !!0.400E+07
assign (resid 30 and name HN )  (resid 8  and name HA#) 6.0 4.2 1.0
assign (resid 30 and name HN)   (resid 24 and name HA ) 5.0 3.2 0.0
assign (resid 30 and name HN )  (resid 25 and name HA ) 5.0 3.2 0.0
assign (resid 30 and name HN )  (resid 25 and name HB#) 3.5 1.7 1.0  !!
assign (resid 30 and name HD1)  (resid 25 and name HB#) 5.0 3.2 1.0  !!0.100E+08 or 0.320E+08
!assign (resid 30 and name HA)  (resid 3  and name HD#) 5.0 3.2 2.4
!assign (resid 30 and name HA)  (resid 6  and name HA#) 5.0 3.2 1.0  !!(d2o)0.110E+06 
assign (resid 30 and name HA)  (resid 7  and name HA ) 6.0 4.2 0.0  !!(d2o)0.165E+06
assign (resid 30 and name HA)  (resid 7  and name HB#) 5.0 3.2 1.0  !!(d2o)
assign (resid 30 and name HA)  (resid 8  and name HA#) 3.5 1.7 1.0  !!0.188E+08 or 0.857E+07
assign (resid 30 and name HA)  (resid 9  and name HB#) 5.0 3.2 1.0
!!assign (resid 30 and name HA)  (resid 24  and name HA ) 5.0 3.2 0.0
assign (resid 30 and name HE1) (resid 25 and name HB#) 5.0 3.2 1.0
assign (resid 30 and name HE3) (resid 6  and name HA#)  3.5 1.7 1.0  !!0.287E+07  or 0.824E+07
!assign (resid 30 and name HE3) (resid 7  and name HA ) 5.0 3.2 0.0
assign (resid 30 and name HE3) (resid 8  and name HA#) 5.0 3.2 1.0
assign (resid 30 and name HZ3) (resid 6  and name HA#) 5.0 3.2 1.0 

!assign (resid 31 and name HN)  (resid 3  and name HB#) 5.0 3.2 1.0
!assign (resid 31 and name HN)  (resid 3  and name HD#) 5.0 3.2 2.4
assign (resid 31 and name HN)  (resid 5  and name HA ) 5.0 3.2 0.0  !!(d2o)
assign (resid 31 and name HN)  (resid 6  and name HA#) 5.0 3.2 1.0  !!(d2o)
assign (resid 31 and name HN)  (resid 7  and name HA ) 5.0 3.2 0.0  !!(d2o)
assign (resid 31 and name HN)  (resid 7  and name HB#) 5.0 3.2 1.0  !!0.322E+07 or 0.144E+07
assign (resid 31 and name HN)  (resid 7  and name HG#) 5.0 3.2 1.0
!!assign (resid 31 and name HN)  (resid 7  and name HD#) 5.0 3.2 1.0
assign (resid 31 and name HN)  (resid 8  and name HA#) 5.0 3.2 1.0  !!(d2o)
assign (resid 31 and name HN)  (resid 9  and name HB#) 5.0 3.2 1.0  !!(d2o)
!assign (resid 31 and name HN)  (resid 22 and name HB#) 5.0 3.2 1.0
assign (resid 31 and name HN)  (resid 22 and name HD#) 5.0 3.2 2.4  !!(d2o)
assign (resid 31 and name HN)  (resid 24 and name HA ) 5.0 3.2 0.0  !!0.856E+06
assign (resid 31 and name HA)  (resid 5  and name HA ) 5.0 3.2 0.0  !!(d2o)
assign (resid 31 and name HA)  (resid 16 and name HB#) 5.0 3.2 1.0  !!(d2o)
assign (resid 31 and name HA)  (resid 22 and name HB#) 5.0 3.2 1.0  !!(d2o)
assign (resid 31 and name HA)  (resid 22 and name HD#) 5.0 3.2 2.4  !!(d2o)
assign (resid 31 and name HA)  (resid 24 and name HA ) 2.7 0.9 0.0  !!0.444E+07
!assign (resid 31 and name HA)  (resid 25 and name HB#) 5.0 3.2 1.0
assign (resid 31 and name HB#) (resid 3  and name HB#) 6.0 4.2 2.0
assign (resid 31 and name HB#) (resid 22 and name HB#) 3.5 1.7 2.0
assign (resid 31 and name HB#) (resid 22 and name HG ) 5.0 3.2 1.0
assign (resid 31 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4

!!assign (resid 32 and name HN)  (resid 3  and name HA)  5.0 3.2 0.0
!!assign (resid 32 and name HN)  (resid 5  and name HE#) 5.0 3.2 1.0  !!(d2o)
assign (resid 32 and name HN)  (resid 22 and name HA)  5.0 3.2 0.0
assign (resid 32 and name HN)  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.418E+07
assign (resid 32 and name HN)  (resid 23 and name HG#) 5.0 3.2 2.4  !!0.414E+07
assign (resid 32 and name HN)  (resid 24 and name HA)  5.0 3.2 0.0  !!0.299EE+07
!assign (resid 32 and name HN)  (resid 25 and name HB#) 5.0 3.2 1.0
assign (resid 32 and name HA)  (resid 5  and name HA)  5.0 3.2 0.0
!assign (resid 32 and name HA)  (resid 5  and name HB#) 5.0 3.2 1.0
!assign (resid 32 and name HA)  (resid 6  and name HA#) 5.0 3.2 1.0
assign (resid 32 and name HA)  (resid 22 and name HD#) 5.0 3.2 2.4

assign (resid 33 and name HN)  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.670E+07
!!assign (resid 33 and name HA)  (resid 22 and name HB#) 5.0 3.2 1.0
assign (resid 33 and name HA)  (resid 22 and name HG ) 5.0 3.2 0.0
assign (resid 33 and name HA)  (resid 22 and name HD#) 5.0 3.2 2.4 
!!assign (resid 33 and name HD#) (resid 20 and name HA)  5.0 3.2 2.4
assign (resid 33 and name HD#) (resid 20 and name HB#) 5.0 3.2 3.4  !!(d2o)
assign (resid 33 and name HD#) (resid 21 and name HA)  5.0 3.2 2.4 
assign (resid 33 and name HD#) (resid 21 and name HB#) 5.0 3.2 3.4  !!0.569E+07 or 0.361E+07
assign (resid 33 and name HD#) (resid 22 and name HA)  5.0 3.2 2.4
!!assign (resid 33 and name HD#) (resid 22 and name HB#) 5.0 3.2 3.4
assign (resid 33 and name HD#) (resid 22 and name HG)  5.0 3.2 2.4  !!0.586E+07
assign (resid 33 and name HD#) (resid 22 and name HD#) 5.0 3.2 4.8  !!0.191E+08
!!assign (resid 33 and name HE#) (resid 20 and name HA)  3.5 1.7 2.4  !!0.873E+07
assign (resid 33 and name HE#) (resid 20 and name HB#) 5.0 3.2 3.4  !!0.278E+07
assign (resid 33 and name HE#) (resid 21 and name HA)  5.0 3.2 2.4
assign (resid 33 and name HE#) (resid 21 and name HB#) 5.0 3.2 3.4  !!
!!assign (resid 33 and name HE#) (resid 22 and name HB#) 5.0 3.2 3.4  !!
assign (resid 33 and name HE#) (resid 22 and name HG)  5.0 3.2 2.4
assign (resid 33 and name HE#) (resid 22 and name HD#) 5.0 3.2 4.8

assign (resid 34 and name HN)  (resid 21 and name HB#) 5.0 3.2 1.0  !!0.605E+07 or 0.137E+07
!!assign (resid 34 and name HN)  (resid 21 and name HD2#)5.0 3.2 1.0
assign (resid 34 and name HN)  (resid 22 and name HA ) 5.0 3.2 0.0  !!0.358E+07
!!assign (resid 34 and name HN)  (resid 22 and name HG ) 5.0 3.2 0.0
assign (resid 34 and name HN)  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.328E+07
assign (resid 34 and name HN)  (resid 23 and name HG#) 5.0 3.2 2.4  !!0.224E+07
assign (resid 34 and name HA)  (resid 23 and name HG#) 6.0 4.2 2.4
assign (resid 34 and name HG#) (resid 23 and name HG#) 5.0 3.2 3.4

!!assign (resid 35 and name HA)  (resid 21 and name HB#) 5.0 3.2 1.0


!Disulphide bonds fake NOE

assign (resid  2 and name SG)  (resid 17 and  name SG) 2.02 0.02 0.02
assign (resid  2 and name SG)  (resid 17 and  name CB) 2.99 0.5 0.5
assign (resid  2 and name CB)  (resid 17 and  name SG) 2.99 0.5 0.5
assign (resid  9 and name SG)  (resid 24 and  name SG) 2.02 0.02 0.02
assign (resid  9 and name SG)  (resid 24 and  name CB) 2.99 0.5 0.5
assign (resid  9 and name CB)  (resid 24 and  name SG) 2.99 0.5 0.5
assign (resid 16 and name SG)  (resid 31 and  name SG) 2.02 0.02 0.02
assign (resid 16 and name SG)  (resid 31 and  name CB) 2.99 0.5 0.5
assign (resid 16 and name CB)  (resid 31 and  name SG) 2.99 0.5 0.5


!hbonds
!assign (resid 7  and name n)  (resid 31 and name o) 2.8 0.4 0.9
!assign (resid 7  and name hn) (resid 31 and name o) 1.8 0.4 0.9
assign (resid 31 and name n)  (resid 7  and name o) 2.8 0.4 0.5
assign (resid 31 and name hn) (resid 7  and name o) 1.8 0.3 0.5

assign (resid 23 and name n)  (resid 32 and name o) 2.8 0.4 0.5
assign (resid 23 and name hn) (resid 32 and name o) 1.8 0.3 0.5
assign (resid 32 and name n)  (resid 23 and name o) 2.8 0.4 0.5
assign (resid 32 and name hn) (resid 23 and name o) 1.8 0.3 0.5

!assign (resid 30 and name n)  (resid 25 and name o) 2.8 0.4 0.5
!assign (resid 30 and name hn) (resid 25 and name o) 1.8 0.3 0.5

assign (resid  9 and name n)  (resid 29 and name o) 2.8 0.4 0.5
assign (resid  9 and name hn) (resid 29 and name o) 1.8 0.3 0.5


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          1H        GLU   1   7.981   9.438   1.305
    2   2H    GLU   1          2H        GLU   1   7.002  10.130   0.103
    3   3H    GLU   1          3H        GLU   1   7.793   8.653  -0.186
    4    HA   GLU   1           HA       GLU   1   5.790   8.969   1.986
    5   1HB   GLU   1          2HB       GLU   1   4.214   7.949   0.271
    6   2HB   GLU   1          1HB       GLU   1   4.691   9.613  -0.059
    7   1HG   GLU   1          2HG       GLU   1   6.053   9.016  -1.848
    8   2HG   GLU   1          1HG       GLU   1   6.325   7.385  -1.234
    9    H    CYS   2           H        CYS   2   5.716   7.105   3.188
   10    HA   CYS   2           HA       CYS   2   6.369   4.490   2.010
   11   1HB   CYS   2          2HB       CYS   2   8.586   5.388   2.375
   12   2HB   CYS   2          1HB       CYS   2   8.158   5.919   4.000
   13    H    LEU   3           H        LEU   3   4.258   3.909   2.826
   14    HA   LEU   3           HA       LEU   3   3.750   4.124   5.741
   15   1HB   LEU   3          2HB       LEU   3   2.207   3.211   3.305
   16   2HB   LEU   3          1HB       LEU   3   1.573   2.983   4.934
   17    HG   LEU   3           HG       LEU   3   2.527   5.678   3.957
   18   1HD1  LEU   3          1HD1      LEU   3   0.673   4.687   2.511
   19   2HD1  LEU   3          2HD1      LEU   3   0.292   6.222   3.291
   20   3HD1  LEU   3          3HD1      LEU   3  -0.342   4.716   3.953
   21   1HD2  LEU   3          1HD2      LEU   3   2.215   5.181   6.430
   22   2HD2  LEU   3          2HD2      LEU   3   0.504   4.929   6.088
   23   3HD2  LEU   3          3HD2      LEU   3   1.232   6.510   5.815
   24    H    GLY   4           H        GLY   4   3.608   2.293   7.115
   25   1HA   GLY   4          2HA       GLY   4   5.251   0.015   6.439
   26   2HA   GLY   4          1HA       GLY   4   4.279   0.182   7.901
   27    H    PHE   5           H        PHE   5   4.323  -2.295   6.799
   28    HA   PHE   5           HA       PHE   5   2.294  -2.784   4.799
   29   1HB   PHE   5          2HB       PHE   5   4.041  -4.390   5.176
   30   2HB   PHE   5          1HB       PHE   5   3.685  -4.468   6.900
   31    HD1  PHE   5           HD1      PHE   5   2.722  -6.491   7.516
   32    HD2  PHE   5           HD2      PHE   5   1.621  -4.720   3.759
   33    HE1  PHE   5           HE1      PHE   5   1.118  -8.337   7.113
   34    HE2  PHE   5           HE2      PHE   5   0.017  -6.567   3.361
   35    HZ   PHE   5           HZ       PHE   5  -0.235  -8.375   5.037
   36    H    GLY   6           H        GLY   6   0.108  -2.832   5.056
   37   1HA   GLY   6          2HA       GLY   6  -1.977  -3.205   6.107
   38   2HA   GLY   6          1HA       GLY   6  -1.124  -3.626   7.591
   39    H    LYS   7           H        LYS   7  -0.685  -0.622   5.748
   40    HA   LYS   7           HA       LYS   7  -1.665   0.888   8.143
   41   1HB   LYS   7          2HB       LYS   7   0.775   0.950   7.180
   42   2HB   LYS   7          1HB       LYS   7   0.070   1.979   5.933
   43   1HG   LYS   7          2HG       LYS   7   0.718   3.553   7.529
   44   2HG   LYS   7          1HG       LYS   7  -0.965   3.269   7.972
   45   1HD   LYS   7          2HD       LYS   7  -0.188   1.555   9.625
   46   2HD   LYS   7          1HD       LYS   7   1.476   1.999   9.245
   47   1HE   LYS   7          2HE       LYS   7   1.368   3.886  10.514
   48   2HE   LYS   7          1HE       LYS   7  -0.228   4.320   9.873
   49   1HZ   LYS   7          1HZ       LYS   7  -1.225   2.622  11.263
   50   2HZ   LYS   7          2HZ       LYS   7  -0.346   3.709  12.226
   51   3HZ   LYS   7          3HZ       LYS   7   0.295   2.177  11.869
   52    H    GLY   8           H        GLY   8  -3.366   2.312   7.854
   53   1HA   GLY   8          2HA       GLY   8  -5.064   2.178   5.589
   54   2HA   GLY   8          1HA       GLY   8  -5.120   3.457   6.802
   55    H    CYS   9           H        CYS   9  -4.654   2.909   3.564
   56    HA   CYS   9           HA       CYS   9  -3.343   5.568   3.224
   57   1HB   CYS   9          2HB       CYS   9  -1.694   4.656   1.749
   58   2HB   CYS   9          1HB       CYS   9  -1.716   3.588   3.151
   59    H    ASN  10           H        ASN  10  -3.439   6.156   0.767
   60    HA   ASN  10           HA       ASN  10  -6.193   5.545  -0.206
   61   1HB   ASN  10          2HB       ASN  10  -5.280   7.889   0.245
   62   2HB   ASN  10          1HB       ASN  10  -4.210   7.644  -1.134
   63   1HD2  ASN  10          1HD2      ASN  10  -5.191   9.135  -2.597
   64   2HD2  ASN  10          2HD2      ASN  10  -6.787   8.976  -3.152
   65    HA   PRO  11           HA       PRO  11  -4.229   2.950  -3.279
   66   1HB   PRO  11          2HB       PRO  11  -6.490   2.388  -4.719
   67   2HB   PRO  11          1HB       PRO  11  -6.095   1.596  -3.180
   68   1HG   PRO  11          2HG       PRO  11  -7.974   3.837  -3.727
   69   2HG   PRO  11          1HG       PRO  11  -8.147   2.463  -2.624
   70   1HD   PRO  11          2HD       PRO  11  -7.470   4.962  -1.793
   71   2HD   PRO  11          1HD       PRO  11  -6.953   3.484  -0.952
   72    H    SER  12           H        SER  12  -6.245   5.763  -3.983
   73    HA   SER  12           HA       SER  12  -5.653   5.933  -6.814
   74   1HB   SER  12          2HB       SER  12  -6.726   7.749  -4.665
   75   2HB   SER  12          1HB       SER  12  -6.389   8.389  -6.271
   76    HG   SER  12           HG       SER  12  -8.282   6.507  -5.429
   77    H    ASN  13           H        ASN  13  -4.254   7.522  -3.916
   78    HA   ASN  13           HA       ASN  13  -2.154   8.823  -5.542
   79   1HB   ASN  13          2HB       ASN  13  -3.101   8.837  -2.690
   80   2HB   ASN  13          1HB       ASN  13  -1.488   9.449  -3.055
   81   1HD2  ASN  13          1HD2      ASN  13  -1.345  11.557  -3.929
   82   2HD2  ASN  13          2HD2      ASN  13  -2.689  12.478  -4.407
   83    H    ASP  14           H        ASP  14  -2.494   6.174  -3.223
   84    HA   ASP  14           HA       ASP  14  -1.082   4.385  -2.673
   85   1HB   ASP  14          2HB       ASP  14  -0.955   4.607  -5.303
   86   2HB   ASP  14          1HB       ASP  14   0.693   5.146  -4.975
   87    H    GLN  15           H        GLN  15  -0.182   5.123  -0.733
   88    HA   GLN  15           HA       GLN  15   2.380   6.678  -0.928
   89   1HB   GLN  15          2HB       GLN  15   0.116   6.576   1.067
   90   2HB   GLN  15          1HB       GLN  15   1.690   7.236   1.511
   91   1HG   GLN  15          2HG       GLN  15   0.624   8.234  -1.057
   92   2HG   GLN  15          1HG       GLN  15  -0.319   8.697   0.359
   93   1HE2  GLN  15          1HE2      GLN  15   2.046   9.929  -1.527
   94   2HE2  GLN  15          2HE2      GLN  15   2.946  10.789  -0.373
   95    H    CYS  16           H        CYS  16   1.699   3.581  -0.832
   96    HA   CYS  16           HA       CYS  16   2.847   2.656   1.681
   97   1HB   CYS  16          2HB       CYS  16   2.314   1.370  -1.015
   98   2HB   CYS  16          1HB       CYS  16   2.866   0.473   0.399
   99    H    CYS  17           H        CYS  17   4.929   1.395   1.750
  100    HA   CYS  17           HA       CYS  17   7.086   2.880   0.418
  101   1HB   CYS  17          2HB       CYS  17   6.739   1.618   2.826
  102   2HB   CYS  17          1HB       CYS  17   7.686   0.419   1.944
  103    H    LYS  18           H        LYS  18   7.983   2.276  -1.505
  104    HA   LYS  18           HA       LYS  18   7.168  -0.133  -2.908
  105   1HB   LYS  18          2HB       LYS  18   8.052   2.293  -3.645
  106   2HB   LYS  18          1HB       LYS  18   9.593   1.436  -3.680
  107   1HG   LYS  18          2HG       LYS  18   7.501  -0.151  -4.925
  108   2HG   LYS  18          1HG       LYS  18   7.630   1.432  -5.690
  109   1HD   LYS  18          2HD       LYS  18  10.152  -0.067  -5.088
  110   2HD   LYS  18          1HD       LYS  18   9.179  -0.579  -6.467
  111   1HE   LYS  18          2HE       LYS  18   9.288   1.669  -7.435
  112   2HE   LYS  18          1HE       LYS  18  10.174   2.260  -6.015
  113   1HZ   LYS  18          1HZ       LYS  18  11.926   0.688  -6.447
  114   2HZ   LYS  18          2HZ       LYS  18  11.663   1.606  -7.852
  115   3HZ   LYS  18          3HZ       LYS  18  11.071   0.016  -7.750
  116    H    SER  19           H        SER  19   9.996   0.783  -0.976
  117    HA   SER  19           HA       SER  19  11.782  -1.305  -1.735
  118   1HB   SER  19          2HB       SER  19  11.344   0.367   0.738
  119   2HB   SER  19          1HB       SER  19  12.635  -0.830   0.674
  120    HG   SER  19           HG       SER  19  13.689   0.710  -0.297
  121    H    SER  20           H        SER  20   9.069  -1.294   0.568
  122    HA   SER  20           HA       SER  20   9.713  -4.074   1.425
  123   1HB   SER  20          2HB       SER  20   7.807  -1.901   2.308
  124   2HB   SER  20          1HB       SER  20   7.693  -3.540   2.944
  125    HG   SER  20           HG       SER  20   9.634  -1.582   3.326
  126    H    ASN  21           H        ASN  21   8.477  -3.122  -1.316
  127    HA   ASN  21           HA       ASN  21   6.825  -3.880  -2.815
  128   1HB   ASN  21          2HB       ASN  21   7.018  -6.245  -0.915
  129   2HB   ASN  21          1HB       ASN  21   6.380  -6.304  -2.557
  130   1HD2  ASN  21          1HD2      ASN  21   8.064  -5.317  -4.259
  131   2HD2  ASN  21          2HD2      ASN  21   9.675  -5.801  -4.037
  132    H    LEU  22           H        LEU  22   5.661  -2.119  -1.124
  133    HA   LEU  22           HA       LEU  22   3.163  -3.451  -0.130
  134   1HB   LEU  22          2HB       LEU  22   4.595  -0.885   0.626
  135   2HB   LEU  22          1HB       LEU  22   3.014  -1.338   1.261
  136    HG   LEU  22           HG       LEU  22   5.485  -3.077   1.501
  137   1HD1  LEU  22          1HD1      LEU  22   5.589  -2.324   3.830
  138   2HD1  LEU  22          2HD1      LEU  22   4.198  -1.272   3.572
  139   3HD1  LEU  22          3HD1      LEU  22   5.721  -0.939   2.748
  140   1HD2  LEU  22          1HD2      LEU  22   4.087  -4.224   3.221
  141   2HD2  LEU  22          2HD2      LEU  22   3.369  -4.308   1.613
  142   3HD2  LEU  22          3HD2      LEU  22   2.741  -3.164   2.801
  143    H    VAL  23           H        VAL  23   1.254  -2.877  -1.101
  144    HA   VAL  23           HA       VAL  23   1.218  -0.466  -2.890
  145    HB   VAL  23           HB       VAL  23  -0.224  -1.909  -4.406
  146   1HG1  VAL  23          1HG1      VAL  23   2.247  -1.515  -4.738
  147   2HG1  VAL  23          2HG1      VAL  23   1.655  -3.026  -5.430
  148   3HG1  VAL  23          3HG1      VAL  23   2.542  -3.041  -3.905
  149   1HG2  VAL  23          1HG2      VAL  23   0.872  -4.202  -2.751
  150   2HG2  VAL  23          2HG2      VAL  23  -0.280  -4.292  -4.083
  151   3HG2  VAL  23          3HG2      VAL  23  -0.763  -3.571  -2.549
  152    H    CYS  24           H        CYS  24  -0.692   0.766  -2.736
  153    HA   CYS  24           HA       CYS  24  -2.402   0.326  -0.432
  154   1HB   CYS  24          2HB       CYS  24  -2.245   2.257  -2.733
  155   2HB   CYS  24          1HB       CYS  24  -3.672   2.260  -1.698
  156    H    SER  25           H        SER  25  -4.078  -1.096  -0.377
  157    HA   SER  25           HA       SER  25  -5.172  -2.281  -2.832
  158   1HB   SER  25          2HB       SER  25  -5.623  -2.579   0.143
  159   2HB   SER  25          1HB       SER  25  -6.610  -3.448  -1.029
  160    HG   SER  25           HG       SER  25  -4.995  -4.815  -0.841
  161    H    ARG  26           H        ARG  26  -7.498  -2.243  -3.318
  162    HA   ARG  26           HA       ARG  26  -8.713   0.417  -2.800
  163   1HB   ARG  26          2HB       ARG  26  -9.138  -1.891  -4.692
  164   2HB   ARG  26          1HB       ARG  26 -10.380  -0.650  -4.518
  165   1HG   ARG  26          2HG       ARG  26  -8.748   1.093  -5.091
  166   2HG   ARG  26          1HG       ARG  26  -7.477  -0.122  -5.220
  167   1HD   ARG  26          2HD       ARG  26  -9.909  -0.661  -6.841
  168   2HD   ARG  26          1HD       ARG  26  -8.921   0.718  -7.363
  169    HE   ARG  26           HE       ARG  26  -7.062  -0.778  -7.702
  170   1HH1  ARG  26          2HH1      ARG  26  -9.247  -2.473  -8.901
  171   2HH1  ARG  26          1HH1      ARG  26  -8.980  -4.000  -8.130
  172   1HH2  ARG  26          1HH2      ARG  26  -6.975  -2.677  -5.616
  173   2HH2  ARG  26          2HH2      ARG  26  -7.689  -4.116  -6.263
  174    H    LYS  27           H        LYS  27  -9.436  -3.045  -2.358
  175    HA   LYS  27           HA       LYS  27 -12.014  -2.614  -1.071
  176   1HB   LYS  27          2HB       LYS  27 -10.268  -4.777  -1.947
  177   2HB   LYS  27          1HB       LYS  27 -10.973  -5.131  -0.370
  178   1HG   LYS  27          2HG       LYS  27 -13.214  -4.763  -1.223
  179   2HG   LYS  27          1HG       LYS  27 -12.575  -4.216  -2.774
  180   1HD   LYS  27          2HD       LYS  27 -13.187  -6.477  -3.146
  181   2HD   LYS  27          1HD       LYS  27 -11.437  -6.518  -2.926
  182   1HE   LYS  27          2HE       LYS  27 -12.658  -6.732  -0.335
  183   2HE   LYS  27          1HE       LYS  27 -13.407  -7.926  -1.413
  184   1HZ   LYS  27          1HZ       LYS  27 -10.484  -7.483  -1.081
  185   2HZ   LYS  27          2HZ       LYS  27 -11.197  -8.605  -2.140
  186   3HZ   LYS  27          3HZ       LYS  27 -11.357  -8.797  -0.459
  187    H    HIS  28           H        HIS  28  -8.697  -3.279   0.052
  188    HA   HIS  28           HA       HIS  28  -9.531  -3.134   2.891
  189   1HB   HIS  28          2HB       HIS  28  -6.929  -3.678   1.430
  190   2HB   HIS  28          1HB       HIS  28  -7.067  -3.670   3.189
  191    HD1  HIS  28           HD1      HIS  28  -8.120  -5.603   0.141
  192    HD2  HIS  28           HD2      HIS  28  -8.469  -5.892   4.285
  193    HE1  HIS  28           HE1      HIS  28  -9.024  -7.918   0.623
  194    H    ARG  29           H        ARG  29  -8.140  -1.070   0.436
  195    HA   ARG  29           HA       ARG  29  -7.354   1.152   0.504
  196   1HB   ARG  29          2HB       ARG  29  -9.687   0.961   1.849
  197   2HB   ARG  29          1HB       ARG  29  -8.654   1.531   3.160
  198   1HG   ARG  29          2HG       ARG  29  -7.831   3.272   1.362
  199   2HG   ARG  29          1HG       ARG  29  -9.367   2.894   0.582
  200   1HD   ARG  29          2HD       ARG  29 -10.612   3.547   2.564
  201   2HD   ARG  29          1HD       ARG  29  -9.110   3.752   3.487
  202    HE   ARG  29           HE       ARG  29  -8.631   5.415   1.405
  203   1HH1  ARG  29          1HH2      ARG  29  -9.434   6.705   3.932
  204   2HH1  ARG  29          2HH2      ARG  29 -10.889   7.543   3.503
  205   1HH2  ARG  29          2HH1      ARG  29 -11.385   5.730   0.577
  206   2HH2  ARG  29          1HH1      ARG  29 -11.997   6.988   1.598
  207    H    TRP  30           H        TRP  30  -5.527  -0.782   1.537
  208    HA   TRP  30           HA       TRP  30  -3.984   0.937   3.397
  209   1HB   TRP  30          2HB       TRP  30  -3.833  -0.741   5.091
  210   2HB   TRP  30          1HB       TRP  30  -5.533  -0.664   4.654
  211    HD1  TRP  30           HD1      TRP  30  -4.684  -2.412   1.820
  212    HE1  TRP  30           HE1      TRP  30  -4.586  -4.966   2.107
  213    HE3  TRP  30           HE3      TRP  30  -4.324  -2.713   6.904
  214    HZ2  TRP  30           HZ2      TRP  30  -4.386  -6.888   4.210
  215    HZ3  TRP  30           HZ3      TRP  30  -4.186  -4.919   8.021
  216    HH2  TRP  30           HH2      TRP  30  -4.217  -7.005   6.683
  217    H    CYS  31           H        CYS  31  -1.767  -0.336   3.858
  218    HA   CYS  31           HA       CYS  31  -0.592  -0.870   1.225
  219   1HB   CYS  31          2HB       CYS  31   0.408  -0.803   4.086
  220   2HB   CYS  31          1HB       CYS  31   1.466  -1.202   2.735
  221    H    LYS  32           H        LYS  32  -0.658  -2.879   0.312
  222    HA   LYS  32           HA       LYS  32  -0.803  -5.271   2.122
  223   1HB   LYS  32          2HB       LYS  32  -2.802  -4.741   0.713
  224   2HB   LYS  32          1HB       LYS  32  -1.794  -4.901  -0.725
  225   1HG   LYS  32          2HG       LYS  32  -1.471  -7.216  -0.391
  226   2HG   LYS  32          1HG       LYS  32  -1.965  -7.128   1.301
  227   1HD   LYS  32          2HD       LYS  32  -3.910  -7.979   0.394
  228   2HD   LYS  32          1HD       LYS  32  -4.241  -6.257   0.206
  229   1HE   LYS  32          2HE       LYS  32  -3.646  -6.284  -2.106
  230   2HE   LYS  32          1HE       LYS  32  -2.872  -7.875  -1.964
  231   1HZ   LYS  32          1HZ       LYS  32  -5.177  -7.940  -2.883
  232   2HZ   LYS  32          2HZ       LYS  32  -5.745  -7.381  -1.382
  233   3HZ   LYS  32          3HZ       LYS  32  -4.960  -8.886  -1.491
  234    H    TYR  33           H        TYR  33   0.476  -7.108   1.515
  235    HA   TYR  33           HA       TYR  33   2.831  -6.443  -0.195
  236   1HB   TYR  33          2HB       TYR  33   2.939  -7.225   2.251
  237   2HB   TYR  33          1HB       TYR  33   2.419  -8.802   1.658
  238    HD1  TYR  33           HD1      TYR  33   3.808  -9.905  -0.212
  239    HD2  TYR  33           HD2      TYR  33   5.205  -6.577   2.118
  240    HE1  TYR  33           HE1      TYR  33   6.143 -10.431  -0.862
  241    HE2  TYR  33           HE2      TYR  33   7.539  -7.103   1.469
  242    HH   TYR  33           HH       TYR  33   8.653  -9.704   0.553
  243    H    GLU  34           H        GLU  34   2.936  -7.350  -2.212
  244    HA   GLU  34           HA       GLU  34   0.929  -9.309  -3.073
  245   1HB   GLU  34          2HB       GLU  34   3.091  -7.623  -4.262
  246   2HB   GLU  34          1HB       GLU  34   2.584  -9.043  -5.176
  247   1HG   GLU  34          2HG       GLU  34   0.636  -6.993  -4.089
  248   2HG   GLU  34          1HG       GLU  34   1.306  -6.921  -5.719
  249    H    ILE  35           H        ILE  35   1.225 -11.446  -2.627
  250    HA   ILE  35           HA       ILE  35   4.023 -12.532  -2.615
  251    HB   ILE  35           HB       ILE  35   2.645 -12.448  -0.469
  252   1HG1  ILE  35          1HG1      ILE  35   3.137 -15.330  -1.045
  253   2HG1  ILE  35          2HG1      ILE  35   4.497 -14.230  -1.279
  254   1HG2  ILE  35          1HG2      ILE  35   0.490 -13.091  -1.651
  255   2HG2  ILE  35          2HG2      ILE  35   1.125 -14.734  -1.748
  256   3HG2  ILE  35          3HG2      ILE  35   0.833 -13.992  -0.174
  257   1HD1  ILE  35          1HD1      ILE  35   4.152 -13.344   1.015
  258   2HD1  ILE  35          2HD1      ILE  35   2.841 -14.500   1.248
  259   3HD1  ILE  35          3HD1      ILE  35   4.495 -15.073   1.024
  260   1HN   NH2  36          1HN       NH2  36   1.932 -13.499  -5.598
  261   2HN   NH2  36          2HN       NH2  36   2.259 -11.997  -4.708
  Start of MODEL    2
    1   1H    GLU   1          1H        GLU   1   6.059  11.511  -1.480
    2   2H    GLU   1          2H        GLU   1   7.237  12.394  -0.635
    3   3H    GLU   1          3H        GLU   1   5.877  11.788   0.185
    4    HA   GLU   1           HA       GLU   1   8.056  10.167  -1.040
    5   1HB   GLU   1          2HB       GLU   1   8.382  11.571   1.109
    6   2HB   GLU   1          1HB       GLU   1   7.244  10.453   1.860
    7   1HG   GLU   1          2HG       GLU   1   9.469   9.628   2.301
    8   2HG   GLU   1          1HG       GLU   1   8.737   8.558   1.107
    9    H    CYS   2           H        CYS   2   7.786   7.853  -0.638
   10    HA   CYS   2           HA       CYS   2   5.084   6.889  -1.027
   11   1HB   CYS   2          2HB       CYS   2   6.207   4.699  -0.994
   12   2HB   CYS   2          1HB       CYS   2   7.140   5.851  -1.946
   13    H    LEU   3           H        LEU   3   4.072   5.207   0.418
   14    HA   LEU   3           HA       LEU   3   4.271   6.050   3.269
   15   1HB   LEU   3          2HB       LEU   3   2.248   4.508   1.622
   16   2HB   LEU   3          1HB       LEU   3   2.094   4.727   3.364
   17    HG   LEU   3           HG       LEU   3   2.399   7.030   1.418
   18   1HD1  LEU   3          1HD1      LEU   3   0.060   7.285   1.374
   19   2HD1  LEU   3          2HD1      LEU   3  -0.173   6.244   2.778
   20   3HD1  LEU   3          3HD1      LEU   3   0.269   5.540   1.223
   21   1HD2  LEU   3          1HD2      LEU   3   1.348   8.220   3.455
   22   2HD2  LEU   3          2HD2      LEU   3   3.035   7.727   3.599
   23   3HD2  LEU   3          3HD2      LEU   3   1.769   6.768   4.364
   24    H    GLY   4           H        GLY   4   4.447   4.454   4.954
   25   1HA   GLY   4          2HA       GLY   4   6.131   2.165   4.239
   26   2HA   GLY   4          1HA       GLY   4   5.673   2.648   5.873
   27    H    PHE   5           H        PHE   5   5.246   0.326   6.231
   28    HA   PHE   5           HA       PHE   5   3.046  -0.958   4.776
   29   1HB   PHE   5          2HB       PHE   5   4.889  -2.293   5.568
   30   2HB   PHE   5          1HB       PHE   5   4.734  -1.644   7.200
   31    HD1  PHE   5           HD1      PHE   5   3.765  -3.078   8.749
   32    HD2  PHE   5           HD2      PHE   5   2.469  -3.250   4.655
   33    HE1  PHE   5           HE1      PHE   5   2.168  -4.885   9.328
   34    HE2  PHE   5           HE2      PHE   5   0.875  -5.056   5.236
   35    HZ   PHE   5           HZ       PHE   5   0.724  -5.873   7.571
   36    H    GLY   6           H        GLY   6   0.924  -1.111   5.463
   37   1HA   GLY   6          2HA       GLY   6  -0.987  -0.817   6.787
   38   2HA   GLY   6          1HA       GLY   6   0.072  -0.638   8.184
   39    H    LYS   7           H        LYS   7   0.042   1.329   5.220
   40    HA   LYS   7           HA       LYS   7  -0.500   3.729   6.927
   41   1HB   LYS   7          2HB       LYS   7   1.430   3.042   4.907
   42   2HB   LYS   7          1HB       LYS   7   0.460   4.395   4.325
   43   1HG   LYS   7          2HG       LYS   7   2.247   5.392   5.543
   44   2HG   LYS   7          1HG       LYS   7   0.853   5.466   6.621
   45   1HD   LYS   7          2HD       LYS   7   1.623   3.395   7.745
   46   2HD   LYS   7          1HD       LYS   7   3.034   3.358   6.687
   47   1HE   LYS   7          2HE       LYS   7   2.939   5.977   7.784
   48   2HE   LYS   7          1HE       LYS   7   2.680   4.850   9.130
   49   1HZ   LYS   7          1HZ       LYS   7   4.844   4.670   7.096
   50   2HZ   LYS   7          2HZ       LYS   7   4.570   3.544   8.339
   51   3HZ   LYS   7          3HZ       LYS   7   5.041   5.131   8.716
   52    H    GLY   8           H        GLY   8  -2.288   4.988   6.438
   53   1HA   GLY   8          2HA       GLY   8  -4.390   3.925   4.813
   54   2HA   GLY   8          1HA       GLY   8  -4.355   5.554   5.486
   55    H    CYS   9           H        CYS   9  -4.466   3.903   2.630
   56    HA   CYS   9           HA       CYS   9  -3.486   6.282   1.113
   57   1HB   CYS   9          2HB       CYS   9  -2.347   4.673  -0.455
   58   2HB   CYS   9          1HB       CYS   9  -1.645   4.686   1.161
   59    H    ASN  10           H        ASN  10  -4.101   5.793  -1.370
   60    HA   ASN  10           HA       ASN  10  -6.974   4.975  -1.347
   61   1HB   ASN  10          2HB       ASN  10  -5.230   6.750  -3.059
   62   2HB   ASN  10          1HB       ASN  10  -6.818   6.230  -3.620
   63   1HD2  ASN  10          1HD2      ASN  10  -5.945   8.999  -2.843
   64   2HD2  ASN  10          2HD2      ASN  10  -6.997   9.474  -1.599
   65    HA   PRO  11           HA       PRO  11  -5.872   1.324  -3.604
   66   1HB   PRO  11          2HB       PRO  11  -8.361   0.723  -4.592
   67   2HB   PRO  11          1HB       PRO  11  -7.886   0.426  -2.907
   68   1HG   PRO  11          2HG       PRO  11  -9.473   2.673  -4.056
   69   2HG   PRO  11          1HG       PRO  11  -9.715   1.776  -2.548
   70   1HD   PRO  11          2HD       PRO  11  -8.583   4.236  -2.622
   71   2HD   PRO  11          1HD       PRO  11  -8.155   3.015  -1.402
   72    H    SER  12           H        SER  12  -7.902   3.814  -5.180
   73    HA   SER  12           HA       SER  12  -7.320   3.008  -7.898
   74   1HB   SER  12          2HB       SER  12  -8.297   5.548  -6.567
   75   2HB   SER  12          1HB       SER  12  -8.169   5.388  -8.316
   76    HG   SER  12           HG       SER  12  -9.943   4.235  -6.527
   77    H    ASN  13           H        ASN  13  -5.731   5.132  -5.563
   78    HA   ASN  13           HA       ASN  13  -3.524   5.602  -7.538
   79   1HB   ASN  13          2HB       ASN  13  -4.966   7.407  -5.598
   80   2HB   ASN  13          1HB       ASN  13  -3.308   7.775  -6.074
   81   1HD2  ASN  13          1HD2      ASN  13  -6.634   7.470  -7.302
   82   2HD2  ASN  13          2HD2      ASN  13  -6.338   8.248  -8.781
   83    H    ASP  14           H        ASP  14  -2.680   3.578  -6.492
   84    HA   ASP  14           HA       ASP  14  -2.111   3.113  -3.806
   85   1HB   ASP  14          2HB       ASP  14  -1.613   1.445  -5.408
   86   2HB   ASP  14          1HB       ASP  14  -0.640   2.547  -6.379
   87    H    GLN  15           H        GLN  15  -0.933   4.184  -2.295
   88    HA   GLN  15           HA       GLN  15   1.195   6.102  -3.207
   89   1HB   GLN  15          2HB       GLN  15  -0.868   6.139  -0.997
   90   2HB   GLN  15          1HB       GLN  15   0.551   7.183  -0.931
   91   1HG   GLN  15          2HG       GLN  15  -0.164   8.504  -2.668
   92   2HG   GLN  15          1HG       GLN  15  -0.972   7.169  -3.490
   93   1HE2  GLN  15          1HE2      GLN  15  -1.325   8.882  -0.312
   94   2HE2  GLN  15          2HE2      GLN  15  -3.017   8.987  -0.401
   95    H    CYS  16           H        CYS  16   1.284   3.116  -2.333
   96    HA   CYS  16           HA       CYS  16   2.809   3.239   0.198
   97   1HB   CYS  16          2HB       CYS  16   2.095   0.976  -1.698
   98   2HB   CYS  16          1HB       CYS  16   2.800   0.773  -0.095
   99    H    CYS  17           H        CYS  17   4.971   2.084   0.264
  100    HA   CYS  17           HA       CYS  17   6.720   3.107  -1.879
  101   1HB   CYS  17          2HB       CYS  17   6.903   2.823   0.840
  102   2HB   CYS  17          1HB       CYS  17   7.812   1.416   0.292
  103    H    LYS  18           H        LYS  18   7.764   1.849  -3.401
  104    HA   LYS  18           HA       LYS  18   6.878  -0.934  -3.768
  105   1HB   LYS  18          2HB       LYS  18   7.241   0.926  -5.531
  106   2HB   LYS  18          1HB       LYS  18   8.962   0.583  -5.348
  107   1HG   LYS  18          2HG       LYS  18   8.153  -1.924  -5.675
  108   2HG   LYS  18          1HG       LYS  18   6.795  -1.142  -6.482
  109   1HD   LYS  18          2HD       LYS  18   9.292   0.069  -7.312
  110   2HD   LYS  18          1HD       LYS  18   9.336  -1.674  -7.576
  111   1HE   LYS  18          2HE       LYS  18   8.178  -1.237  -9.492
  112   2HE   LYS  18          1HE       LYS  18   6.780  -0.972  -8.433
  113   1HZ   LYS  18          1HZ       LYS  18   7.194   0.981  -9.798
  114   2HZ   LYS  18          2HZ       LYS  18   8.785   1.083  -9.211
  115   3HZ   LYS  18          3HZ       LYS  18   7.471   1.336  -8.163
  116    H    SER  19           H        SER  19   9.715   0.761  -2.568
  117    HA   SER  19           HA       SER  19  11.703  -1.262  -2.844
  118   1HB   SER  19          2HB       SER  19  11.930   1.173  -2.169
  119   2HB   SER  19          1HB       SER  19  11.344   0.716  -0.572
  120    HG   SER  19           HG       SER  19  13.479   0.494  -0.368
  121    H    SER  20           H        SER  20   9.235  -0.749  -0.315
  122    HA   SER  20           HA       SER  20  10.187  -3.155   1.159
  123   1HB   SER  20          2HB       SER  20   8.253  -0.892   1.683
  124   2HB   SER  20          1HB       SER  20   8.331  -2.296   2.743
  125    HG   SER  20           HG       SER  20  10.162  -0.244   2.324
  126    H    ASN  21           H        ASN  21   8.580  -3.071  -1.541
  127    HA   ASN  21           HA       ASN  21   6.820  -4.283  -2.540
  128   1HB   ASN  21          2HB       ASN  21   7.335  -6.014  -0.097
  129   2HB   ASN  21          1HB       ASN  21   6.628  -6.548  -1.620
  130   1HD2  ASN  21          1HD2      ASN  21   8.174  -5.893  -3.625
  131   2HD2  ASN  21          2HD2      ASN  21   9.816  -6.247  -3.387
  132    H    LEU  22           H        LEU  22   5.625  -2.196  -1.417
  133    HA   LEU  22           HA       LEU  22   3.387  -3.305   0.257
  134   1HB   LEU  22          2HB       LEU  22   4.742  -0.592   0.206
  135   2HB   LEU  22          1HB       LEU  22   3.262  -0.920   1.108
  136    HG   LEU  22           HG       LEU  22   5.772  -2.566   1.470
  137   1HD1  LEU  22          1HD1      LEU  22   6.333  -0.260   2.028
  138   2HD1  LEU  22          2HD1      LEU  22   6.146  -1.184   3.518
  139   3HD1  LEU  22          3HD1      LEU  22   4.860  -0.103   2.984
  140   1HD2  LEU  22          1HD2      LEU  22   4.650  -3.076   3.652
  141   2HD2  LEU  22          2HD2      LEU  22   3.708  -3.606   2.258
  142   3HD2  LEU  22          3HD2      LEU  22   3.259  -2.133   3.117
  143    H    VAL  23           H        VAL  23   1.337  -3.007  -0.545
  144    HA   VAL  23           HA       VAL  23   0.951  -1.093  -2.822
  145    HB   VAL  23           HB       VAL  23  -0.456  -2.847  -3.882
  146   1HG1  VAL  23          1HG1      VAL  23   1.345  -4.216  -4.667
  147   2HG1  VAL  23          2HG1      VAL  23   2.255  -3.991  -3.173
  148   3HG1  VAL  23          3HG1      VAL  23   2.047  -2.643  -4.291
  149   1HG2  VAL  23          1HG2      VAL  23  -1.136  -4.030  -1.822
  150   2HG2  VAL  23          2HG2      VAL  23   0.525  -4.573  -1.582
  151   3HG2  VAL  23          3HG2      VAL  23  -0.399  -5.148  -2.969
  152    H    CYS  24           H        CYS  24  -1.126  -0.092  -2.861
  153    HA   CYS  24           HA       CYS  24  -2.511   0.039  -0.297
  154   1HB   CYS  24          2HB       CYS  24  -2.082   1.847  -2.137
  155   2HB   CYS  24          1HB       CYS  24  -3.515   1.164  -2.907
  156    H    SER  25           H        SER  25  -4.011  -1.437   0.315
  157    HA   SER  25           HA       SER  25  -5.253  -3.274  -1.605
  158   1HB   SER  25          2HB       SER  25  -5.493  -2.819   1.384
  159   2HB   SER  25          1HB       SER  25  -6.282  -4.143   0.532
  160    HG   SER  25           HG       SER  25  -4.405  -5.107   0.293
  161    H    ARG  26           H        ARG  26  -7.659  -3.576  -1.609
  162    HA   ARG  26           HA       ARG  26  -9.048  -0.945  -1.721
  163   1HB   ARG  26          2HB       ARG  26  -9.435  -3.712  -2.836
  164   2HB   ARG  26          1HB       ARG  26 -10.804  -2.601  -2.786
  165   1HG   ARG  26          2HG       ARG  26  -9.912  -1.208  -4.370
  166   2HG   ARG  26          1HG       ARG  26  -8.255  -1.495  -3.838
  167   1HD   ARG  26          2HD       ARG  26  -7.963  -3.069  -5.440
  168   2HD   ARG  26          1HD       ARG  26  -9.413  -3.941  -4.902
  169    HE   ARG  26           HE       ARG  26  -9.626  -1.508  -6.636
  170   1HH1  ARG  26          2HH1      ARG  26 -12.088  -2.896  -5.581
  171   2HH1  ARG  26          1HH1      ARG  26 -12.522  -3.911  -6.916
  172   1HH2  ARG  26          1HH2      ARG  26  -9.431  -3.629  -8.477
  173   2HH2  ARG  26          2HH2      ARG  26 -11.014  -4.326  -8.559
  174    H    LYS  27           H        LYS  27  -9.333  -4.152  -0.177
  175    HA   LYS  27           HA       LYS  27 -11.801  -3.572   1.233
  176   1HB   LYS  27          2HB       LYS  27  -9.733  -5.677   1.056
  177   2HB   LYS  27          1HB       LYS  27 -10.528  -5.575   2.626
  178   1HG   LYS  27          2HG       LYS  27 -12.681  -5.926   1.679
  179   2HG   LYS  27          1HG       LYS  27 -12.096  -5.615   0.045
  180   1HD   LYS  27          2HD       LYS  27 -11.992  -7.886  -0.099
  181   2HD   LYS  27          1HD       LYS  27 -10.477  -7.689   0.781
  182   1HE   LYS  27          2HE       LYS  27 -13.017  -7.847   2.375
  183   2HE   LYS  27          1HE       LYS  27 -12.346  -9.343   1.698
  184   1HZ   LYS  27          1HZ       LYS  27 -11.307  -9.002   3.795
  185   2HZ   LYS  27          2HZ       LYS  27 -10.964  -7.376   3.443
  186   3HZ   LYS  27          3HZ       LYS  27 -10.153  -8.619   2.613
  187    H    HIS  28           H        HIS  28  -8.348  -3.548   2.186
  188    HA   HIS  28           HA       HIS  28  -9.020  -2.425   4.846
  189   1HB   HIS  28          2HB       HIS  28  -6.407  -3.185   3.500
  190   2HB   HIS  28          1HB       HIS  28  -6.575  -2.728   5.194
  191    HD1  HIS  28           HD1      HIS  28  -9.251  -4.308   5.737
  192    HD2  HIS  28           HD2      HIS  28  -5.861  -5.905   3.911
  193    HE1  HIS  28           HE1      HIS  28  -9.382  -6.816   6.053
  194    H    ARG  29           H        ARG  29  -7.909  -1.321   1.715
  195    HA   ARG  29           HA       ARG  29  -7.337   0.826   0.931
  196   1HB   ARG  29          2HB       ARG  29  -9.528   1.081   2.376
  197   2HB   ARG  29          1HB       ARG  29  -8.457   1.916   3.501
  198   1HG   ARG  29          2HG       ARG  29  -7.747   3.437   1.685
  199   2HG   ARG  29          1HG       ARG  29  -8.847   2.618   0.577
  200   1HD   ARG  29          2HD       ARG  29 -10.680   3.681   1.431
  201   2HD   ARG  29          1HD       ARG  29 -10.103   3.524   3.102
  202    HE   ARG  29           HE       ARG  29  -8.523   5.383   1.474
  203   1HH1  ARG  29          1HH2      ARG  29  -9.085   5.451   4.495
  204   2HH1  ARG  29          2HH2      ARG  29 -10.085   6.860   4.607
  205   1HH2  ARG  29          2HH1      ARG  29 -10.744   6.985   1.196
  206   2HH2  ARG  29          1HH1      ARG  29 -11.027   7.733   2.732
  207    H    TRP  30           H        TRP  30  -5.260  -0.559   2.265
  208    HA   TRP  30           HA       TRP  30  -3.662   1.726   3.265
  209   1HB   TRP  30          2HB       TRP  30  -3.207   0.741   5.381
  210   2HB   TRP  30          1HB       TRP  30  -4.939   0.539   5.160
  211    HD1  TRP  30           HD1      TRP  30  -4.302  -1.991   3.000
  212    HE1  TRP  30           HE1      TRP  30  -3.844  -4.286   4.068
  213    HE3  TRP  30           HE3      TRP  30  -3.115  -0.532   7.749
  214    HZ2  TRP  30           HZ2      TRP  30  -3.079  -5.368   6.598
  215    HZ3  TRP  30           HZ3      TRP  30  -2.529  -2.220   9.467
  216    HH2  TRP  30           HH2      TRP  30  -2.508  -4.633   8.898
  217    H    CYS  31           H        CYS  31  -1.306   0.770   3.788
  218    HA   CYS  31           HA       CYS  31  -0.418  -0.548   1.328
  219   1HB   CYS  31          2HB       CYS  31   0.965   0.413   3.851
  220   2HB   CYS  31          1HB       CYS  31   1.826  -0.235   2.457
  221    H    LYS  32           H        LYS  32  -0.316  -2.727   1.097
  222    HA   LYS  32           HA       LYS  32  -0.070  -4.434   3.554
  223   1HB   LYS  32          2HB       LYS  32  -2.212  -4.477   2.201
  224   2HB   LYS  32          1HB       LYS  32  -1.271  -5.109   0.850
  225   1HG   LYS  32          2HG       LYS  32  -0.744  -7.111   2.007
  226   2HG   LYS  32          1HG       LYS  32  -1.225  -6.433   3.562
  227   1HD   LYS  32          2HD       LYS  32  -3.493  -6.668   3.124
  228   2HD   LYS  32          1HD       LYS  32  -3.267  -6.601   1.376
  229   1HE   LYS  32          2HE       LYS  32  -3.724  -8.886   1.726
  230   2HE   LYS  32          1HE       LYS  32  -1.949  -8.863   1.752
  231   1HZ   LYS  32          1HZ       LYS  32  -2.866 -10.005   3.701
  232   2HZ   LYS  32          2HZ       LYS  32  -3.701  -8.593   4.143
  233   3HZ   LYS  32          3HZ       LYS  32  -2.001  -8.616   4.146
  234    H    TYR  33           H        TYR  33   1.608  -5.931   3.576
  235    HA   TYR  33           HA       TYR  33   3.747  -5.679   1.619
  236   1HB   TYR  33          2HB       TYR  33   3.591  -6.343   4.231
  237   2HB   TYR  33          1HB       TYR  33   3.617  -7.962   3.535
  238    HD1  TYR  33           HD1      TYR  33   5.615  -5.219   4.578
  239    HD2  TYR  33           HD2      TYR  33   5.436  -8.378   1.671
  240    HE1  TYR  33           HE1      TYR  33   8.061  -5.025   4.215
  241    HE2  TYR  33           HE2      TYR  33   7.880  -8.184   1.310
  242    HH   TYR  33           HH       TYR  33   9.928  -7.089   3.141
  243    H    GLU  34           H        GLU  34   3.964  -6.860  -0.244
  244    HA   GLU  34           HA       GLU  34   2.118  -9.174  -0.681
  245   1HB   GLU  34          2HB       GLU  34   3.777  -7.544  -2.637
  246   2HB   GLU  34          1HB       GLU  34   2.510  -8.697  -3.050
  247   1HG   GLU  34          2HG       GLU  34   2.157  -6.081  -1.555
  248   2HG   GLU  34          1HG       GLU  34   1.593  -6.445  -3.184
  249    H    ILE  35           H        ILE  35   3.021 -11.092  -1.771
  250    HA   ILE  35           HA       ILE  35   5.588 -11.914  -0.663
  251    HB   ILE  35           HB       ILE  35   3.655 -13.159  -2.653
  252   1HG1  ILE  35          1HG1      ILE  35   4.085 -14.149   0.137
  253   2HG1  ILE  35          2HG1      ILE  35   3.159 -12.663  -0.067
  254   1HG2  ILE  35          1HG2      ILE  35   6.073 -14.321  -1.236
  255   2HG2  ILE  35          2HG2      ILE  35   4.848 -15.295  -2.048
  256   3HG2  ILE  35          3HG2      ILE  35   5.837 -14.169  -2.977
  257   1HD1  ILE  35          1HD1      ILE  35   2.570 -15.275  -1.491
  258   2HD1  ILE  35          2HD1      ILE  35   1.706 -14.685  -0.071
  259   3HD1  ILE  35          3HD1      ILE  35   1.616 -13.795  -1.591
  260   1HN   NH2  36          1HN       NH2  36   6.123  -9.971  -4.007
  261   2HN   NH2  36          2HN       NH2  36   4.865  -9.851  -2.758
  Start of MODEL    3
    1   1H    GLU   1          1H        GLU   1  10.719   8.761  -3.255
    2   2H    GLU   1          2H        GLU   1   9.775   7.769  -4.261
    3   3H    GLU   1          3H        GLU   1  10.401   7.157  -2.806
    4    HA   GLU   1           HA       GLU   1   9.027   8.770  -1.557
    5   1HB   GLU   1          2HB       GLU   1   8.436   9.458  -4.419
    6   2HB   GLU   1          1HB       GLU   1   7.171   9.705  -3.217
    7   1HG   GLU   1          2HG       GLU   1   8.169  11.696  -2.813
    8   2HG   GLU   1          1HG       GLU   1   9.400  10.758  -1.966
    9    H    CYS   2           H        CYS   2   8.053   7.024  -0.557
   10    HA   CYS   2           HA       CYS   2   5.852   5.644  -2.027
   11   1HB   CYS   2          2HB       CYS   2   6.747   3.474  -1.450
   12   2HB   CYS   2          1HB       CYS   2   8.053   4.389  -2.198
   13    H    LEU   3           H        LEU   3   4.814   4.016  -0.259
   14    HA   LEU   3           HA       LEU   3   4.386   5.653   2.217
   15   1HB   LEU   3          2HB       LEU   3   2.660   3.667   0.701
   16   2HB   LEU   3          1HB       LEU   3   2.182   4.422   2.222
   17    HG   LEU   3           HG       LEU   3   2.997   6.030  -0.209
   18   1HD1  LEU   3          1HD1      LEU   3   0.668   6.269  -0.770
   19   2HD1  LEU   3          2HD1      LEU   3   0.170   5.395   0.678
   20   3HD1  LEU   3          3HD1      LEU   3   0.988   4.540  -0.631
   21   1HD2  LEU   3          1HD2      LEU   3   3.103   7.355   1.761
   22   2HD2  LEU   3          2HD2      LEU   3   1.653   6.611   2.436
   23   3HD2  LEU   3          3HD2      LEU   3   1.521   7.719   1.070
   24    H    GLY   4           H        GLY   4   4.483   4.602   4.244
   25   1HA   GLY   4          2HA       GLY   4   6.106   2.193   4.382
   26   2HA   GLY   4          1HA       GLY   4   5.419   3.056   5.758
   27    H    PHE   5           H        PHE   5   5.222   0.491   6.154
   28    HA   PHE   5           HA       PHE   5   2.955  -0.835   4.900
   29   1HB   PHE   5          2HB       PHE   5   4.770  -2.132   5.798
   30   2HB   PHE   5          1HB       PHE   5   4.656  -1.325   7.361
   31    HD1  PHE   5           HD1      PHE   5   2.541  -3.340   4.994
   32    HD2  PHE   5           HD2      PHE   5   3.463  -2.365   9.076
   33    HE1  PHE   5           HE1      PHE   5   0.925  -5.052   5.770
   34    HE2  PHE   5           HE2      PHE   5   1.847  -4.079   9.849
   35    HZ   PHE   5           HZ       PHE   5   0.578  -5.422   8.196
   36    H    GLY   6           H        GLY   6   0.828  -0.815   5.551
   37   1HA   GLY   6          2HA       GLY   6  -1.090  -0.327   6.806
   38   2HA   GLY   6          1HA       GLY   6  -0.051  -0.198   8.224
   39    H    LYS   7           H        LYS   7   0.156   1.722   5.233
   40    HA   LYS   7           HA       LYS   7  -0.417   4.169   6.879
   41   1HB   LYS   7          2HB       LYS   7   1.498   3.570   4.614
   42   2HB   LYS   7          1HB       LYS   7   1.087   5.226   5.060
   43   1HG   LYS   7          2HG       LYS   7   2.027   3.247   7.135
   44   2HG   LYS   7          1HG       LYS   7   3.179   4.165   6.165
   45   1HD   LYS   7          2HD       LYS   7   2.633   6.171   7.154
   46   2HD   LYS   7          1HD       LYS   7   0.958   5.695   7.439
   47   1HE   LYS   7          2HE       LYS   7   1.652   4.234   9.288
   48   2HE   LYS   7          1HE       LYS   7   3.355   4.629   8.981
   49   1HZ   LYS   7          1HZ       LYS   7   2.446   6.067  10.700
   50   2HZ   LYS   7          2HZ       LYS   7   1.211   6.581   9.653
   51   3HZ   LYS   7          3HZ       LYS   7   2.831   6.973   9.319
   52    H    GLY   8           H        GLY   8  -1.674   5.821   5.841
   53   1HA   GLY   8          2HA       GLY   8  -3.861   5.023   4.270
   54   2HA   GLY   8          1HA       GLY   8  -3.297   6.691   4.382
   55    H    CYS   9           H        CYS   9  -3.986   4.386   2.182
   56    HA   CYS   9           HA       CYS   9  -2.213   5.624   0.140
   57   1HB   CYS   9          2HB       CYS   9  -0.889   3.772   0.842
   58   2HB   CYS   9          1HB       CYS   9  -2.296   2.723   0.996
   59    H    ASN  10           H        ASN  10  -3.172   5.607  -1.925
   60    HA   ASN  10           HA       ASN  10  -6.031   4.833  -2.035
   61   1HB   ASN  10          2HB       ASN  10  -4.233   6.763  -3.238
   62   2HB   ASN  10          1HB       ASN  10  -5.109   5.893  -4.496
   63   1HD2  ASN  10          1HD2      ASN  10  -5.351   8.570  -2.483
   64   2HD2  ASN  10          2HD2      ASN  10  -7.040   8.734  -2.464
   65    HA   PRO  11           HA       PRO  11  -5.049   1.017  -4.080
   66   1HB   PRO  11          2HB       PRO  11  -7.525   0.502  -5.146
   67   2HB   PRO  11          1HB       PRO  11  -7.128   0.251  -3.434
   68   1HG   PRO  11          2HG       PRO  11  -8.551   2.527  -4.731
   69   2HG   PRO  11          1HG       PRO  11  -8.898   1.705  -3.201
   70   1HD   PRO  11          2HD       PRO  11  -7.639   4.097  -3.312
   71   2HD   PRO  11          1HD       PRO  11  -7.310   2.899  -2.041
   72    H    SER  12           H        SER  12  -6.697   3.656  -5.807
   73    HA   SER  12           HA       SER  12  -6.176   2.640  -8.478
   74   1HB   SER  12          2HB       SER  12  -7.954   4.276  -7.804
   75   2HB   SER  12          1HB       SER  12  -6.693   5.463  -7.485
   76    HG   SER  12           HG       SER  12  -7.695   4.503  -9.881
   77    H    ASN  13           H        ASN  13  -4.535   4.978  -6.328
   78    HA   ASN  13           HA       ASN  13  -2.433   5.568  -8.285
   79   1HB   ASN  13          2HB       ASN  13  -3.133   6.303  -5.457
   80   2HB   ASN  13          1HB       ASN  13  -1.516   6.666  -6.059
   81   1HD2  ASN  13          1HD2      ASN  13  -1.304   8.570  -7.285
   82   2HD2  ASN  13          2HD2      ASN  13  -2.608   9.445  -7.929
   83    H    ASP  14           H        ASP  14  -2.699   3.681  -5.278
   84    HA   ASP  14           HA       ASP  14  -1.291   2.047  -4.331
   85   1HB   ASP  14          2HB       ASP  14  -1.676   1.604  -7.103
   86   2HB   ASP  14          1HB       ASP  14   0.022   1.254  -6.784
   87    H    GLN  15           H        GLN  15  -0.043   3.991  -3.434
   88    HA   GLN  15           HA       GLN  15   2.629   4.353  -4.728
   89   1HB   GLN  15          2HB       GLN  15   0.859   5.907  -2.868
   90   2HB   GLN  15          1HB       GLN  15   2.594   6.227  -2.853
   91   1HG   GLN  15          2HG       GLN  15   2.562   6.675  -5.261
   92   2HG   GLN  15          1HG       GLN  15   0.842   6.288  -5.329
   93   1HE2  GLN  15          1HE2      GLN  15  -0.660   7.910  -4.651
   94   2HE2  GLN  15          2HE2      GLN  15  -0.182   9.456  -4.137
   95    H    CYS  16           H        CYS  16   1.811   1.952  -3.030
   96    HA   CYS  16           HA       CYS  16   3.104   2.184  -0.451
   97   1HB   CYS  16          2HB       CYS  16   2.278  -0.103  -2.258
   98   2HB   CYS  16          1HB       CYS  16   2.996  -0.373  -0.671
   99    H    CYS  17           H        CYS  17   5.172   1.220   0.150
  100    HA   CYS  17           HA       CYS  17   7.290   1.701  -1.789
  101   1HB   CYS  17          2HB       CYS  17   6.989   1.647   0.968
  102   2HB   CYS  17          1HB       CYS  17   7.963   0.212   0.652
  103    H    LYS  18           H        LYS  18   7.669   0.239  -3.401
  104    HA   LYS  18           HA       LYS  18   6.902  -2.551  -3.298
  105   1HB   LYS  18          2HB       LYS  18   8.585  -0.801  -5.095
  106   2HB   LYS  18          1HB       LYS  18   8.432  -2.531  -5.402
  107   1HG   LYS  18          2HG       LYS  18   5.976  -0.845  -4.961
  108   2HG   LYS  18          1HG       LYS  18   6.742  -0.906  -6.548
  109   1HD   LYS  18          2HD       LYS  18   6.624  -3.445  -6.375
  110   2HD   LYS  18          1HD       LYS  18   5.588  -3.212  -4.966
  111   1HE   LYS  18          2HE       LYS  18   4.244  -1.611  -6.595
  112   2HE   LYS  18          1HE       LYS  18   5.020  -2.597  -7.850
  113   1HZ   LYS  18          1HZ       LYS  18   4.275  -4.591  -6.666
  114   2HZ   LYS  18          2HZ       LYS  18   2.960  -3.628  -7.147
  115   3HZ   LYS  18          3HZ       LYS  18   3.471  -3.623  -5.527
  116    H    SER  19           H        SER  19   9.895  -0.804  -2.570
  117    HA   SER  19           HA       SER  19  11.750  -2.966  -2.586
  118   1HB   SER  19          2HB       SER  19  11.505  -0.386  -1.029
  119   2HB   SER  19          1HB       SER  19  12.908  -1.436  -0.869
  120    HG   SER  19           HG       SER  19  12.216   0.274  -2.872
  121    H    SER  20           H        SER  20   9.405  -1.921  -0.128
  122    HA   SER  20           HA       SER  20  10.361  -4.036   1.748
  123   1HB   SER  20          2HB       SER  20   8.636  -1.571   1.906
  124   2HB   SER  20          1HB       SER  20   8.574  -2.778   3.187
  125    HG   SER  20           HG       SER  20  10.651  -1.080   2.400
  126    H    ASN  21           H        ASN  21   8.664  -4.428  -0.833
  127    HA   ASN  21           HA       ASN  21   6.820  -5.723  -1.515
  128   1HB   ASN  21          2HB       ASN  21   8.238  -7.269  -0.106
  129   2HB   ASN  21          1HB       ASN  21   7.188  -6.895   1.260
  130   1HD2  ASN  21          1HD2      ASN  21   7.163  -8.332  -2.027
  131   2HD2  ASN  21          2HD2      ASN  21   5.762  -9.258  -1.780
  132    H    LEU  22           H        LEU  22   5.566  -3.584  -1.225
  133    HA   LEU  22           HA       LEU  22   3.404  -3.981   0.821
  134   1HB   LEU  22          2HB       LEU  22   4.921  -1.503  -0.026
  135   2HB   LEU  22          1HB       LEU  22   3.390  -1.413   0.842
  136    HG   LEU  22           HG       LEU  22   5.708  -3.055   1.870
  137   1HD1  LEU  22          1HD1      LEU  22   6.638  -0.872   1.783
  138   2HD1  LEU  22          2HD1      LEU  22   6.023  -1.028   3.429
  139   3HD1  LEU  22          3HD1      LEU  22   5.108  -0.116   2.228
  140   1HD2  LEU  22          1HD2      LEU  22   4.511  -2.827   3.996
  141   2HD2  LEU  22          2HD2      LEU  22   3.418  -3.469   2.771
  142   3HD2  LEU  22          3HD2      LEU  22   3.321  -1.771   3.237
  143    H    VAL  23           H        VAL  23   1.358  -3.886  -0.014
  144    HA   VAL  23           HA       VAL  23   0.988  -2.768  -2.776
  145    HB   VAL  23           HB       VAL  23  -0.702  -4.659  -3.028
  146   1HG1  VAL  23          1HG1      VAL  23   1.625  -4.713  -3.961
  147   2HG1  VAL  23          2HG1      VAL  23   0.990  -6.313  -3.575
  148   3HG1  VAL  23          3HG1      VAL  23   2.149  -5.540  -2.495
  149   1HG2  VAL  23          1HG2      VAL  23  -0.720  -6.466  -1.485
  150   2HG2  VAL  23          2HG2      VAL  23  -0.769  -5.024  -0.471
  151   3HG2  VAL  23          3HG2      VAL  23   0.745  -5.903  -0.682
  152    H    CYS  24           H        CYS  24  -0.825  -1.446  -3.001
  153    HA   CYS  24           HA       CYS  24  -2.141  -0.497  -0.590
  154   1HB   CYS  24          2HB       CYS  24  -1.522   0.615  -2.925
  155   2HB   CYS  24          1HB       CYS  24  -3.149   0.077  -3.348
  156    H    SER  25           H        SER  25  -4.348  -0.738  -0.018
  157    HA   SER  25           HA       SER  25  -5.742  -3.077  -1.279
  158   1HB   SER  25          2HB       SER  25  -4.905  -2.640   1.308
  159   2HB   SER  25          1HB       SER  25  -6.584  -2.110   1.380
  160    HG   SER  25           HG       SER  25  -7.167  -4.118   1.231
  161    H    ARG  26           H        ARG  26  -8.181  -2.910  -1.177
  162    HA   ARG  26           HA       ARG  26  -9.058  -0.163  -1.934
  163   1HB   ARG  26          2HB       ARG  26  -9.618  -2.906  -2.706
  164   2HB   ARG  26          1HB       ARG  26 -11.113  -2.059  -2.307
  165   1HG   ARG  26          2HG       ARG  26 -10.634  -0.306  -3.886
  166   2HG   ARG  26          1HG       ARG  26  -9.002  -0.919  -4.156
  167   1HD   ARG  26          2HD       ARG  26 -11.197  -2.869  -4.640
  168   2HD   ARG  26          1HD       ARG  26 -11.072  -1.531  -5.799
  169    HE   ARG  26           HE       ARG  26  -9.004  -2.425  -6.523
  170   1HH1  ARG  26          1HH2      ARG  26 -10.113  -5.067  -5.376
  171   2HH1  ARG  26          2HH2      ARG  26  -8.750  -5.611  -4.456
  172   1HH2  ARG  26          2HH1      ARG  26  -7.151  -2.526  -4.500
  173   2HH2  ARG  26          1HH1      ARG  26  -7.069  -4.169  -3.958
  174    H    LYS  27           H        LYS  27 -10.080  -2.886   0.169
  175    HA   LYS  27           HA       LYS  27 -12.209  -1.370   1.457
  176   1HB   LYS  27          2HB       LYS  27 -10.996  -4.044   1.502
  177   2HB   LYS  27          1HB       LYS  27 -11.526  -3.511   3.097
  178   1HG   LYS  27          2HG       LYS  27 -13.479  -2.875   1.015
  179   2HG   LYS  27          1HG       LYS  27 -13.153  -4.605   1.123
  180   1HD   LYS  27          2HD       LYS  27 -13.345  -3.595   3.787
  181   2HD   LYS  27          1HD       LYS  27 -14.733  -2.991   2.882
  182   1HE   LYS  27          2HE       LYS  27 -15.108  -5.373   2.061
  183   2HE   LYS  27          1HE       LYS  27 -13.893  -5.883   3.249
  184   1HZ   LYS  27          1HZ       LYS  27 -16.172  -5.906   4.158
  185   2HZ   LYS  27          2HZ       LYS  27 -16.285  -4.233   3.884
  186   3HZ   LYS  27          3HZ       LYS  27 -15.150  -4.841   4.994
  187    H    HIS  28           H        HIS  28  -8.824  -2.136   2.253
  188    HA   HIS  28           HA       HIS  28  -9.008  -0.740   4.858
  189   1HB   HIS  28          2HB       HIS  28  -6.749  -2.103   3.353
  190   2HB   HIS  28          1HB       HIS  28  -6.627  -1.489   5.002
  191    HD1  HIS  28           HD1      HIS  28  -9.016  -2.450   6.420
  192    HD2  HIS  28           HD2      HIS  28  -7.180  -4.817   3.520
  193    HE1  HIS  28           HE1      HIS  28  -9.729  -4.835   6.885
  194    H    ARG  29           H        ARG  29  -8.026  -0.069   1.568
  195    HA   ARG  29           HA       ARG  29  -7.073   1.834   0.559
  196   1HB   ARG  29          2HB       ARG  29  -8.529   2.834   3.007
  197   2HB   ARG  29          1HB       ARG  29  -7.702   3.962   1.933
  198   1HG   ARG  29          2HG       ARG  29  -9.060   3.357   0.076
  199   2HG   ARG  29          1HG       ARG  29  -9.663   1.914   0.890
  200   1HD   ARG  29          2HD       ARG  29 -11.450   3.467   1.103
  201   2HD   ARG  29          1HD       ARG  29 -10.611   3.592   2.662
  202    HE   ARG  29           HE       ARG  29  -9.581   5.657   1.901
  203   1HH1  ARG  29          1HH2      ARG  29 -12.408   6.277   1.233
  204   2HH1  ARG  29          2HH2      ARG  29 -12.308   6.779  -0.422
  205   1HH2  ARG  29          2HH1      ARG  29  -9.150   5.416  -0.921
  206   2HH2  ARG  29          1HH1      ARG  29 -10.459   6.290  -1.644
  207    H    TRP  30           H        TRP  30  -5.198   0.313   2.051
  208    HA   TRP  30           HA       TRP  30  -3.269   2.445   2.757
  209   1HB   TRP  30          2HB       TRP  30  -2.920   1.660   4.986
  210   2HB   TRP  30          1HB       TRP  30  -4.662   1.772   4.787
  211    HD1  TRP  30           HD1      TRP  30  -4.380  -1.138   2.947
  212    HE1  TRP  30           HE1      TRP  30  -4.417  -3.297   4.348
  213    HE3  TRP  30           HE3      TRP  30  -3.284   0.782   7.546
  214    HZ2  TRP  30           HZ2      TRP  30  -4.040  -4.106   7.064
  215    HZ3  TRP  30           HZ3      TRP  30  -3.131  -0.704   9.523
  216    HH2  TRP  30           HH2      TRP  30  -3.507  -3.143   9.289
  217    H    CYS  31           H        CYS  31  -1.114   1.123   3.559
  218    HA   CYS  31           HA       CYS  31  -0.475  -0.660   1.287
  219   1HB   CYS  31          2HB       CYS  31   1.062   0.722   3.493
  220   2HB   CYS  31          1HB       CYS  31   1.838  -0.457   2.436
  221    H    LYS  32           H        LYS  32  -0.157  -2.863   1.489
  222    HA   LYS  32           HA       LYS  32  -0.158  -4.048   4.240
  223   1HB   LYS  32          2HB       LYS  32  -2.377  -3.971   2.822
  224   2HB   LYS  32          1HB       LYS  32  -1.627  -5.295   1.930
  225   1HG   LYS  32          2HG       LYS  32  -1.600  -6.711   3.791
  226   2HG   LYS  32          1HG       LYS  32  -1.714  -5.372   4.933
  227   1HD   LYS  32          2HD       LYS  32  -3.945  -5.659   4.999
  228   2HD   LYS  32          1HD       LYS  32  -4.022  -5.228   3.290
  229   1HE   LYS  32          2HE       LYS  32  -3.912  -7.493   2.592
  230   2HE   LYS  32          1HE       LYS  32  -3.312  -8.037   4.170
  231   1HZ   LYS  32          1HZ       LYS  32  -5.403  -7.311   5.167
  232   2HZ   LYS  32          2HZ       LYS  32  -5.680  -8.480   3.966
  233   3HZ   LYS  32          3HZ       LYS  32  -5.984  -6.840   3.644
  234    H    TYR  33           H        TYR  33   0.738  -6.279   4.255
  235    HA   TYR  33           HA       TYR  33   3.004  -6.552   2.383
  236   1HB   TYR  33          2HB       TYR  33   2.976  -6.891   4.939
  237   2HB   TYR  33          1HB       TYR  33   2.156  -8.417   4.612
  238    HD1  TYR  33           HD1      TYR  33   5.232  -6.458   3.786
  239    HD2  TYR  33           HD2      TYR  33   3.375 -10.328   3.954
  240    HE1  TYR  33           HE1      TYR  33   7.411  -7.528   3.276
  241    HE2  TYR  33           HE2      TYR  33   5.552 -11.396   3.443
  242    HH   TYR  33           HH       TYR  33   8.243 -10.376   3.872
  243    H    GLU  34           H        GLU  34   3.271  -8.324   0.949
  244    HA   GLU  34           HA       GLU  34   0.822  -9.488  -0.128
  245   1HB   GLU  34          2HB       GLU  34   3.785  -9.836  -0.671
  246   2HB   GLU  34          1HB       GLU  34   2.529 -10.611  -1.636
  247   1HG   GLU  34          2HG       GLU  34   1.549  -8.186  -1.829
  248   2HG   GLU  34          1HG       GLU  34   3.181  -7.686  -1.384
  249    H    ILE  35           H        ILE  35   0.913 -11.983  -0.615
  250    HA   ILE  35           HA       ILE  35   0.870 -13.398   1.915
  251    HB   ILE  35           HB       ILE  35   0.317 -15.327   0.421
  252   1HG1  ILE  35          1HG1      ILE  35   0.392 -13.472  -1.933
  253   2HG1  ILE  35          2HG1      ILE  35   1.889 -14.258  -1.436
  254   1HG2  ILE  35          1HG2      ILE  35  -1.327 -13.475   1.126
  255   2HG2  ILE  35          2HG2      ILE  35  -1.154 -12.866  -0.520
  256   3HG2  ILE  35          3HG2      ILE  35  -1.795 -14.485  -0.241
  257   1HD1  ILE  35          1HD1      ILE  35   0.494 -16.444  -1.423
  258   2HD1  ILE  35          2HD1      ILE  35  -0.674 -15.531  -2.377
  259   3HD1  ILE  35          3HD1      ILE  35   0.963 -15.773  -2.986
  260   1HN   NH2  36          1HN       NH2  36   4.063 -14.301   2.423
  261   2HN   NH2  36          2HN       NH2  36   2.549 -13.498   2.893
  Start of MODEL    4
    1   1H    GLU   1          1H        GLU   1 -11.078   7.142  -3.808
    2   2H    GLU   1          2H        GLU   1 -11.473   5.521  -4.128
    3   3H    GLU   1          3H        GLU   1 -12.077   6.756  -5.125
    4    HA   GLU   1           HA       GLU   1 -10.232   5.584  -6.203
    5   1HB   GLU   1          2HB       GLU   1 -10.838   8.075  -6.404
    6   2HB   GLU   1          1HB       GLU   1  -9.467   8.385  -5.339
    7   1HG   GLU   1          2HG       GLU   1  -8.493   8.575  -7.461
    8   2HG   GLU   1          1HG       GLU   1  -8.140   6.899  -7.040
    9    H    CYS   2           H        CYS   2  -8.918   4.049  -5.201
   10    HA   CYS   2           HA       CYS   2  -6.618   5.101  -3.618
   11   1HB   CYS   2          2HB       CYS   2  -7.002   3.229  -1.985
   12   2HB   CYS   2          1HB       CYS   2  -8.300   4.419  -1.995
   13    H    LEU   3           H        LEU   3  -4.894   3.364  -3.397
   14    HA   LEU   3           HA       LEU   3  -4.558   1.973  -5.980
   15   1HB   LEU   3          2HB       LEU   3  -2.788   2.250  -3.525
   16   2HB   LEU   3          1HB       LEU   3  -2.271   1.608  -5.082
   17    HG   LEU   3           HG       LEU   3  -3.417   4.391  -4.716
   18   1HD1  LEU   3          1HD1      LEU   3  -1.023   5.116  -5.031
   19   2HD1  LEU   3          2HD1      LEU   3  -0.545   3.432  -4.816
   20   3HD1  LEU   3          3HD1      LEU   3  -1.332   4.301  -3.498
   21   1HD2  LEU   3          1HD2      LEU   3  -2.220   4.672  -6.964
   22   2HD2  LEU   3          2HD2      LEU   3  -3.667   3.665  -6.980
   23   3HD2  LEU   3          3HD2      LEU   3  -2.072   2.915  -6.991
   24    H    GLY   4           H        GLY   4  -4.386  -0.298  -6.197
   25   1HA   GLY   4          2HA       GLY   4  -5.688  -1.869  -4.071
   26   2HA   GLY   4          1HA       GLY   4  -5.274  -2.451  -5.683
   27    H    PHE   5           H        PHE   5  -4.560  -4.300  -4.110
   28    HA   PHE   5           HA       PHE   5  -2.090  -3.956  -2.616
   29   1HB   PHE   5          2HB       PHE   5  -3.624  -5.690  -1.994
   30   2HB   PHE   5          1HB       PHE   5  -3.705  -6.305  -3.643
   31    HD1  PHE   5           HD1      PHE   5  -2.374  -8.126  -4.239
   32    HD2  PHE   5           HD2      PHE   5  -1.200  -5.671  -0.913
   33    HE1  PHE   5           HE1      PHE   5  -0.488  -9.664  -3.770
   34    HE2  PHE   5           HE2      PHE   5   0.686  -7.212  -0.446
   35    HZ   PHE   5           HZ       PHE   5   1.042  -9.207  -1.873
   36    H    GLY   6           H        GLY   6   0.025  -4.507  -3.267
   37   1HA   GLY   6          2HA       GLY   6   1.798  -5.010  -4.721
   38   2HA   GLY   6          1HA       GLY   6   0.631  -5.792  -5.787
   39    H    LYS   7           H        LYS   7   0.631  -2.416  -4.673
   40    HA   LYS   7           HA       LYS   7   0.956  -1.552  -7.528
   41   1HB   LYS   7          2HB       LYS   7  -1.338  -1.352  -6.504
   42   2HB   LYS   7          1HB       LYS   7  -0.653  -0.259  -5.301
   43   1HG   LYS   7          2HG       LYS   7  -1.521   1.176  -6.973
   44   2HG   LYS   7          1HG       LYS   7   0.210   1.117  -7.302
   45   1HD   LYS   7          2HD       LYS   7  -0.877  -1.065  -8.702
   46   2HD   LYS   7          1HD       LYS   7  -1.996   0.268  -8.982
   47   1HE   LYS   7          2HE       LYS   7  -0.045   1.711  -9.633
   48   2HE   LYS   7          1HE       LYS   7   1.000   0.283  -9.494
   49   1HZ   LYS   7          1HZ       LYS   7   0.208   0.504 -11.758
   50   2HZ   LYS   7          2HZ       LYS   7  -1.405   0.534 -11.228
   51   3HZ   LYS   7          3HZ       LYS   7  -0.475  -0.877 -11.048
   52    H    GLY   8           H        GLY   8   2.564  -0.040  -7.875
   53   1HA   GLY   8          2HA       GLY   8   4.450   0.608  -5.813
   54   2HA   GLY   8          1HA       GLY   8   4.398   1.350  -7.412
   55    H    CYS   9           H        CYS   9   3.938   1.924  -4.128
   56    HA   CYS   9           HA       CYS   9   2.548   4.512  -4.729
   57   1HB   CYS   9          2HB       CYS   9   1.195   4.177  -2.733
   58   2HB   CYS   9          1HB       CYS   9   1.045   2.747  -3.753
   59    H    ASN  10           H        ASN  10   2.795   5.984  -2.643
   60    HA   ASN  10           HA       ASN  10   5.691   6.059  -2.011
   61   1HB   ASN  10          2HB       ASN  10   3.415   7.900  -2.227
   62   2HB   ASN  10          1HB       ASN  10   4.433   8.232  -0.826
   63   1HD2  ASN  10          1HD2      ASN  10   4.119   8.965  -4.082
   64   2HD2  ASN  10          2HD2      ASN  10   5.729   9.385  -4.417
   65    HA   PRO  11           HA       PRO  11   5.032   4.347   2.023
   66   1HB   PRO  11          2HB       PRO  11   7.379   5.172   3.178
   67   2HB   PRO  11          1HB       PRO  11   7.280   3.814   2.040
   68   1HG   PRO  11          2HG       PRO  11   8.139   6.625   1.560
   69   2HG   PRO  11          1HG       PRO  11   8.804   5.116   0.916
   70   1HD   PRO  11          2HD       PRO  11   7.168   6.749  -0.515
   71   2HD   PRO  11          1HD       PRO  11   7.247   4.990  -0.763
   72    H    SER  12           H        SER  12   6.248   7.712   1.786
   73    HA   SER  12           HA       SER  12   5.191   8.497   4.394
   74   1HB   SER  12          2HB       SER  12   7.156   9.464   3.002
   75   2HB   SER  12          1HB       SER  12   5.915  10.302   2.075
   76    HG   SER  12           HG       SER  12   6.878  10.795   4.584
   77    H    ASN  13           H        ASN  13   4.239   9.082   0.993
   78    HA   ASN  13           HA       ASN  13   1.597  10.128   1.899
   79   1HB   ASN  13          2HB       ASN  13   3.158  11.299   0.232
   80   2HB   ASN  13          1HB       ASN  13   2.765  10.003  -0.897
   81   1HD2  ASN  13          1HD2      ASN  13   0.800  10.188  -2.050
   82   2HD2  ASN  13          2HD2      ASN  13  -0.376  11.371  -1.737
   83    H    ASP  14           H        ASP  14   1.439   7.603   2.511
   84    HA   ASP  14           HA       ASP  14   0.990   5.674   0.434
   85   1HB   ASP  14          2HB       ASP  14  -0.006   4.371   2.278
   86   2HB   ASP  14          1HB       ASP  14   1.469   5.170   2.816
   87    H    GLN  15           H        GLN  15  -0.780   5.335  -0.853
   88    HA   GLN  15           HA       GLN  15  -3.363   6.667  -0.127
   89   1HB   GLN  15          2HB       GLN  15  -1.730   7.739  -1.906
   90   2HB   GLN  15          1HB       GLN  15  -2.373   6.479  -2.960
   91   1HG   GLN  15          2HG       GLN  15  -4.612   7.559  -1.645
   92   2HG   GLN  15          1HG       GLN  15  -3.622   8.947  -2.098
   93   1HE2  GLN  15          1HE2      GLN  15  -3.062   9.166  -4.444
   94   2HE2  GLN  15          2HE2      GLN  15  -4.047   8.431  -5.615
   95    H    CYS  16           H        CYS  16  -2.635   3.868   0.261
   96    HA   CYS  16           HA       CYS  16  -3.791   2.326  -1.959
   97   1HB   CYS  16          2HB       CYS  16  -1.962   1.833  -0.023
   98   2HB   CYS  16          1HB       CYS  16  -3.397   1.145   0.740
   99    H    CYS  17           H        CYS  17  -5.559   0.649  -1.286
  100    HA   CYS  17           HA       CYS  17  -7.914   2.125  -0.390
  101   1HB   CYS  17          2HB       CYS  17  -7.444  -0.806  -1.038
  102   2HB   CYS  17          1HB       CYS  17  -9.024  -0.042  -0.876
  103    H    LYS  18           H        LYS  18  -8.406   2.393   1.739
  104    HA   LYS  18           HA       LYS  18  -7.095   0.941   3.877
  105   1HB   LYS  18          2HB       LYS  18  -8.571   2.309   5.288
  106   2HB   LYS  18          1HB       LYS  18  -7.902   3.291   3.986
  107   1HG   LYS  18          2HG       LYS  18 -10.059   3.895   3.604
  108   2HG   LYS  18          1HG       LYS  18 -10.201   2.319   2.828
  109   1HD   LYS  18          2HD       LYS  18 -10.572   1.615   5.431
  110   2HD   LYS  18          1HD       LYS  18 -11.255   3.241   5.439
  111   1HE   LYS  18          2HE       LYS  18 -12.053   1.586   3.114
  112   2HE   LYS  18          1HE       LYS  18 -12.669   1.028   4.682
  113   1HZ   LYS  18          1HZ       LYS  18 -12.837   3.812   3.646
  114   2HZ   LYS  18          2HZ       LYS  18 -13.406   3.282   5.158
  115   3HZ   LYS  18          3HZ       LYS  18 -14.127   2.714   3.730
  116    H    SER  19           H        SER  19 -10.050   0.404   2.065
  117    HA   SER  19           HA       SER  19 -11.506  -1.172   3.961
  118   1HB   SER  19          2HB       SER  19 -12.731  -1.887   1.956
  119   2HB   SER  19          1HB       SER  19 -12.373  -0.167   1.857
  120    HG   SER  19           HG       SER  19 -11.696  -0.894  -0.058
  121    H    SER  20           H        SER  20  -8.927  -2.030   1.656
  122    HA   SER  20           HA       SER  20  -9.151  -4.904   2.392
  123   1HB   SER  20          2HB       SER  20  -8.226  -3.294   0.159
  124   2HB   SER  20          1HB       SER  20  -6.988  -4.449   0.645
  125    HG   SER  20           HG       SER  20  -8.382  -5.443  -0.796
  126    H    ASN  21           H        ASN  21  -7.925  -2.479   4.070
  127    HA   ASN  21           HA       ASN  21  -6.116  -2.175   5.546
  128   1HB   ASN  21          2HB       ASN  21  -7.136  -4.798   5.642
  129   2HB   ASN  21          1HB       ASN  21  -5.383  -4.987   5.672
  130   1HD2  ASN  21          1HD2      ASN  21  -8.092  -3.344   7.347
  131   2HD2  ASN  21          2HD2      ASN  21  -7.258  -3.122   8.809
  132    H    LEU  22           H        LEU  22  -5.269  -1.567   3.042
  133    HA   LEU  22           HA       LEU  22  -2.764  -3.116   2.536
  134   1HB   LEU  22          2HB       LEU  22  -4.377  -1.103   0.942
  135   2HB   LEU  22          1HB       LEU  22  -2.848  -1.782   0.386
  136    HG   LEU  22           HG       LEU  22  -5.170  -3.529   1.220
  137   1HD1  LEU  22          1HD1      LEU  22  -4.473  -2.608  -1.585
  138   2HD1  LEU  22          2HD1      LEU  22  -5.836  -2.000  -0.646
  139   3HD1  LEU  22          3HD1      LEU  22  -5.786  -3.694  -1.132
  140   1HD2  LEU  22          1HD2      LEU  22  -3.014  -4.649   1.139
  141   2HD2  LEU  22          2HD2      LEU  22  -2.663  -3.946  -0.440
  142   3HD2  LEU  22          3HD2      LEU  22  -3.946  -5.144  -0.273
  143    H    VAL  23           H        VAL  23  -0.755  -2.140   2.778
  144    HA   VAL  23           HA       VAL  23  -0.695   0.772   3.505
  145    HB   VAL  23           HB       VAL  23   0.973   0.155   5.250
  146   1HG1  VAL  23          1HG1      VAL  23  -1.531  -1.516   5.570
  147   2HG1  VAL  23          2HG1      VAL  23  -1.535   0.243   5.690
  148   3HG1  VAL  23          3HG1      VAL  23  -0.596  -0.716   6.834
  149   1HG2  VAL  23          1HG2      VAL  23   1.759  -1.936   4.109
  150   2HG2  VAL  23          2HG2      VAL  23   0.237  -2.707   4.553
  151   3HG2  VAL  23          3HG2      VAL  23   1.360  -2.185   5.808
  152    H    CYS  24           H        CYS  24   1.199   1.882   2.824
  153    HA   CYS  24           HA       CYS  24   2.589   0.731   0.526
  154   1HB   CYS  24          2HB       CYS  24   2.608   3.323   2.066
  155   2HB   CYS  24          1HB       CYS  24   3.823   3.021   0.823
  156    H    SER  25           H        SER  25   3.959  -0.953   1.162
  157    HA   SER  25           HA       SER  25   5.628  -0.883   3.534
  158   1HB   SER  25          2HB       SER  25   4.742  -2.904   2.313
  159   2HB   SER  25          1HB       SER  25   5.872  -2.551   1.009
  160    HG   SER  25           HG       SER  25   7.308  -3.544   2.163
  161    H    ARG  26           H        ARG  26   7.965  -0.707   3.570
  162    HA   ARG  26           HA       ARG  26   9.028   1.220   1.579
  163   1HB   ARG  26          2HB       ARG  26   9.786   0.201   4.310
  164   2HB   ARG  26          1HB       ARG  26  10.971   1.074   3.337
  165   1HG   ARG  26          2HG       ARG  26   9.686   3.047   3.316
  166   2HG   ARG  26          1HG       ARG  26   8.206   2.197   3.760
  167   1HD   ARG  26          2HD       ARG  26   9.027   1.816   6.017
  168   2HD   ARG  26          1HD       ARG  26  10.614   2.487   5.592
  169    HE   ARG  26           HE       ARG  26   8.652   4.425   4.903
  170   1HH1  ARG  26          1HH2      ARG  26  10.982   5.125   6.581
  171   2HH1  ARG  26          2HH2      ARG  26  10.265   5.454   8.123
  172   1HH2  ARG  26          2HH1      ARG  26   7.270   3.864   7.366
  173   2HH2  ARG  26          1HH1      ARG  26   8.159   4.738   8.569
  174    H    LYS  27           H        LYS  27   9.685  -2.070   2.800
  175    HA   LYS  27           HA       LYS  27  12.126  -2.562   1.400
  176   1HB   LYS  27          2HB       LYS  27  10.111  -3.983   2.924
  177   2HB   LYS  27          1HB       LYS  27  10.631  -4.960   1.551
  178   1HG   LYS  27          2HG       LYS  27  12.701  -5.291   2.417
  179   2HG   LYS  27          1HG       LYS  27  12.844  -3.615   2.949
  180   1HD   LYS  27          2HD       LYS  27  12.754  -4.735   4.992
  181   2HD   LYS  27          1HD       LYS  27  11.055  -4.333   4.742
  182   1HE   LYS  27          2HE       LYS  27  10.977  -6.666   3.505
  183   2HE   LYS  27          1HE       LYS  27  12.422  -6.999   4.480
  184   1HZ   LYS  27          1HZ       LYS  27  10.433  -7.577   5.717
  185   2HZ   LYS  27          2HZ       LYS  27   9.809  -6.011   5.507
  186   3HZ   LYS  27          3HZ       LYS  27  11.202  -6.255   6.449
  187    H    HIS  28           H        HIS  28   8.737  -3.246   0.443
  188    HA   HIS  28           HA       HIS  28   9.634  -3.957  -2.303
  189   1HB   HIS  28          2HB       HIS  28   7.036  -4.106  -0.757
  190   2HB   HIS  28          1HB       HIS  28   7.131  -4.492  -2.473
  191    HD1  HIS  28           HD1      HIS  28  10.258  -5.631  -1.529
  192    HD2  HIS  28           HD2      HIS  28   6.435  -7.041  -0.641
  193    HE1  HIS  28           HE1      HIS  28  10.526  -8.055  -0.859
  194    H    ARG  29           H        ARG  29   8.452  -1.214  -0.584
  195    HA   ARG  29           HA       ARG  29   7.731   0.911  -1.288
  196   1HB   ARG  29          2HB       ARG  29   9.637  -0.176  -3.173
  197   2HB   ARG  29          1HB       ARG  29   8.489   0.862  -4.019
  198   1HG   ARG  29          2HG       ARG  29   8.950   2.415  -1.870
  199   2HG   ARG  29          1HG       ARG  29  10.492   1.559  -1.929
  200   1HD   ARG  29          2HD       ARG  29  10.904   2.290  -4.194
  201   2HD   ARG  29          1HD       ARG  29   9.261   2.946  -4.335
  202    HE   ARG  29           HE       ARG  29  10.346   4.194  -2.079
  203   1HH1  ARG  29          1HH2      ARG  29  12.979   4.163  -3.361
  204   2HH1  ARG  29          2HH2      ARG  29  12.952   5.568  -4.374
  205   1HH2  ARG  29          2HH1      ARG  29   9.494   5.898  -4.275
  206   2HH2  ARG  29          1HH1      ARG  29  10.974   6.552  -4.893
  207    H    TRP  30           H        TRP  30   5.772  -1.200  -1.423
  208    HA   TRP  30           HA       TRP  30   3.974  -0.037  -3.472
  209   1HB   TRP  30          2HB       TRP  30   3.590  -2.124  -4.572
  210   2HB   TRP  30          1HB       TRP  30   5.335  -1.987  -4.417
  211    HD1  TRP  30           HD1      TRP  30   4.729  -2.813  -1.082
  212    HE1  TRP  30           HE1      TRP  30   4.671  -5.343  -0.621
  213    HE3  TRP  30           HE3      TRP  30   4.074  -4.561  -5.836
  214    HZ2  TRP  30           HZ2      TRP  30   4.390  -7.787  -2.069
  215    HZ3  TRP  30           HZ3      TRP  30   3.918  -6.997  -6.264
  216    HH2  TRP  30           HH2      TRP  30   4.075  -8.611  -4.389
  217    H    CYS  31           H        CYS  31   1.799  -1.635  -3.236
  218    HA   CYS  31           HA       CYS  31   0.911  -1.136  -0.479
  219   1HB   CYS  31          2HB       CYS  31  -0.267  -1.960  -3.108
  220   2HB   CYS  31          1HB       CYS  31  -1.190  -2.294  -1.643
  221    H    LYS  32           H        LYS  32   0.815  -2.680   1.114
  222    HA   LYS  32           HA       LYS  32   1.264  -5.546   0.333
  223   1HB   LYS  32          2HB       LYS  32   2.985  -4.015   1.664
  224   2HB   LYS  32          1HB       LYS  32   1.946  -4.423   3.029
  225   1HG   LYS  32          2HG       LYS  32   2.486  -6.789   1.456
  226   2HG   LYS  32          1HG       LYS  32   3.999  -6.010   1.919
  227   1HD   LYS  32          2HD       LYS  32   1.807  -6.413   3.946
  228   2HD   LYS  32          1HD       LYS  32   2.933  -7.718   3.571
  229   1HE   LYS  32          2HE       LYS  32   4.694  -5.669   3.905
  230   2HE   LYS  32          1HE       LYS  32   3.417  -5.179   5.035
  231   1HZ   LYS  32          1HZ       LYS  32   4.951  -6.706   6.108
  232   2HZ   LYS  32          2HZ       LYS  32   4.686  -7.868   4.897
  233   3HZ   LYS  32          3HZ       LYS  32   3.425  -7.428   5.949
  234    H    TYR  33           H        TYR  33  -0.025  -7.109   1.399
  235    HA   TYR  33           HA       TYR  33  -2.535  -6.102   2.591
  236   1HB   TYR  33          2HB       TYR  33  -2.079  -8.015   0.823
  237   2HB   TYR  33          1HB       TYR  33  -1.782  -8.997   2.257
  238    HD1  TYR  33           HD1      TYR  33  -4.287  -6.667   0.742
  239    HD2  TYR  33           HD2      TYR  33  -3.582  -9.906   3.473
  240    HE1  TYR  33           HE1      TYR  33  -6.730  -6.909   1.082
  241    HE2  TYR  33           HE2      TYR  33  -6.027 -10.148   3.814
  242    HH   TYR  33           HH       TYR  33  -8.132  -8.226   3.471
  243    H    GLU  34           H        GLU  34  -2.091  -5.452   4.721
  244    HA   GLU  34           HA       GLU  34  -0.561  -7.286   6.499
  245   1HB   GLU  34          2HB       GLU  34  -1.555  -4.433   6.632
  246   2HB   GLU  34          1HB       GLU  34  -0.892  -5.244   8.050
  247   1HG   GLU  34          2HG       GLU  34   0.644  -5.271   5.464
  248   2HG   GLU  34          1HG       GLU  34   0.708  -3.851   6.508
  249    H    ILE  35           H        ILE  35  -1.876  -8.898   7.309
  250    HA   ILE  35           HA       ILE  35  -4.218  -8.112   8.924
  251    HB   ILE  35           HB       ILE  35  -4.992  -8.322   6.543
  252   1HG1  ILE  35          1HG1      ILE  35  -6.260 -10.655   7.858
  253   2HG1  ILE  35          2HG1      ILE  35  -6.210  -9.182   8.827
  254   1HG2  ILE  35          1HG2      ILE  35  -3.383 -10.104   5.883
  255   2HG2  ILE  35          2HG2      ILE  35  -4.252 -11.242   6.913
  256   3HG2  ILE  35          3HG2      ILE  35  -5.050 -10.539   5.507
  257   1HD1  ILE  35          1HD1      ILE  35  -7.277  -9.362   5.994
  258   2HD1  ILE  35          2HD1      ILE  35  -8.270  -9.307   7.450
  259   3HD1  ILE  35          3HD1      ILE  35  -7.272  -7.921   7.012
  260   1HN   NH2  36          1HN       NH2  36  -2.748 -10.412  10.948
  261   2HN   NH2  36          2HN       NH2  36  -3.061  -8.724  10.487
  Start of MODEL    5
    1   1H    GLU   1          1H        GLU   1   7.525   9.805  -0.820
    2   2H    GLU   1          2H        GLU   1   6.404  11.005  -1.254
    3   3H    GLU   1          3H        GLU   1   6.322   9.464  -1.967
    4    HA   GLU   1           HA       GLU   1   5.815  10.096   0.901
    5   1HB   GLU   1          2HB       GLU   1   4.261  10.377  -1.427
    6   2HB   GLU   1          1HB       GLU   1   3.698   8.878  -0.689
    7   1HG   GLU   1          2HG       GLU   1   2.374  10.471   0.395
    8   2HG   GLU   1          1HG       GLU   1   3.710  10.279   1.530
    9    H    CYS   2           H        CYS   2   6.769   8.391   1.980
   10    HA   CYS   2           HA       CYS   2   6.452   5.633   0.844
   11   1HB   CYS   2          2HB       CYS   2   8.713   6.929   1.498
   12   2HB   CYS   2          1HB       CYS   2   8.317   6.280   3.089
   13    H    LEU   3           H        LEU   3   4.763   4.576   1.807
   14    HA   LEU   3           HA       LEU   3   4.134   5.170   4.676
   15   1HB   LEU   3          2HB       LEU   3   2.531   4.047   2.358
   16   2HB   LEU   3          1HB       LEU   3   1.912   4.160   4.005
   17    HG   LEU   3           HG       LEU   3   2.987   6.532   2.457
   18   1HD1  LEU   3          1HD1      LEU   3   0.669   7.152   2.041
   19   2HD1  LEU   3          2HD1      LEU   3   0.096   5.737   2.926
   20   3HD1  LEU   3          3HD1      LEU   3   0.950   5.535   1.396
   21   1HD2  LEU   3          1HD2      LEU   3   1.578   6.134   5.099
   22   2HD2  LEU   3          2HD2      LEU   3   1.517   7.686   4.263
   23   3HD2  LEU   3          3HD2      LEU   3   3.068   7.018   4.771
   24    H    GLY   4           H        GLY   4   4.419   3.542   6.165
   25   1HA   GLY   4          2HA       GLY   4   5.673   1.049   5.406
   26   2HA   GLY   4          1HA       GLY   4   5.109   1.464   7.024
   27    H    PHE   5           H        PHE   5   4.432  -0.919   6.895
   28    HA   PHE   5           HA       PHE   5   2.175  -1.628   5.188
   29   1HB   PHE   5          2HB       PHE   5   3.802  -3.275   5.962
   30   2HB   PHE   5          1HB       PHE   5   3.438  -2.891   7.644
   31    HD1  PHE   5           HD1      PHE   5   1.499  -3.784   8.744
   32    HD2  PHE   5           HD2      PHE   5   2.068  -4.376   4.526
   33    HE1  PHE   5           HE1      PHE   5  -0.346  -5.439   8.727
   34    HE2  PHE   5           HE2      PHE   5   0.221  -6.032   4.513
   35    HZ   PHE   5           HZ       PHE   5  -0.984  -6.564   6.611
   36    H    GLY   6           H        GLY   6  -0.006  -1.631   5.724
   37   1HA   GLY   6          2HA       GLY   6  -1.964  -1.300   6.982
   38   2HA   GLY   6          1HA       GLY   6  -0.974  -1.283   8.439
   39    H    LYS   7           H        LYS   7  -0.373   0.870   5.713
   40    HA   LYS   7           HA       LYS   7  -1.077   3.188   7.476
   41   1HB   LYS   7          2HB       LYS   7   0.850   2.739   5.185
   42   2HB   LYS   7          1HB       LYS   7   0.458   4.358   5.762
   43   1HG   LYS   7          2HG       LYS   7   1.453   2.156   7.587
   44   2HG   LYS   7          1HG       LYS   7   2.526   3.316   6.804
   45   1HD   LYS   7          2HD       LYS   7   0.969   5.125   7.830
   46   2HD   LYS   7          1HD       LYS   7   0.406   3.828   8.885
   47   1HE   LYS   7          2HE       LYS   7   3.354   4.019   8.643
   48   2HE   LYS   7          1HE       LYS   7   2.576   5.390   9.456
   49   1HZ   LYS   7          1HZ       LYS   7   3.043   3.556  11.000
   50   2HZ   LYS   7          2HZ       LYS   7   2.061   2.526  10.072
   51   3HZ   LYS   7          3HZ       LYS   7   1.380   3.862  10.872
   52    H    GLY   8           H        GLY   8  -2.736   4.524   6.821
   53   1HA   GLY   8          2HA       GLY   8  -4.539   3.829   4.754
   54   2HA   GLY   8          1HA       GLY   8  -4.457   5.421   5.506
   55    H    CYS   9           H        CYS   9  -4.257   3.918   2.586
   56    HA   CYS   9           HA       CYS   9  -2.749   6.203   1.399
   57   1HB   CYS   9          2HB       CYS   9  -1.250   4.768   0.263
   58   2HB   CYS   9          1HB       CYS   9  -1.364   4.048   1.867
   59    H    ASN  10           H        ASN  10  -2.921   5.830  -1.185
   60    HA   ASN  10           HA       ASN  10  -5.818   5.297  -1.741
   61   1HB   ASN  10          2HB       ASN  10  -4.392   7.554  -2.090
   62   2HB   ASN  10          1HB       ASN  10  -4.036   6.771  -3.630
   63   1HD2  ASN  10          1HD2      ASN  10  -5.680   6.797  -5.224
   64   2HD2  ASN  10          2HD2      ASN  10  -7.249   7.381  -4.955
   65    HA   PRO  11           HA       PRO  11  -4.499   1.848  -4.192
   66   1HB   PRO  11          2HB       PRO  11  -6.801   1.491  -5.636
   67   2HB   PRO  11          1HB       PRO  11  -6.631   1.002  -3.938
   68   1HG   PRO  11          2HG       PRO  11  -7.944   3.407  -5.093
   69   2HG   PRO  11          1HG       PRO  11  -8.431   2.404  -3.718
   70   1HD   PRO  11          2HD       PRO  11  -7.206   4.829  -3.456
   71   2HD   PRO  11          1HD       PRO  11  -7.083   3.529  -2.251
   72    H    SER  12           H        SER  12  -6.191   4.543  -5.861
   73    HA   SER  12           HA       SER  12  -5.197   3.982  -8.500
   74   1HB   SER  12          2HB       SER  12  -7.116   5.487  -7.786
   75   2HB   SER  12          1HB       SER  12  -5.912   6.668  -7.277
   76    HG   SER  12           HG       SER  12  -5.651   7.194  -9.290
   77    H    ASN  13           H        ASN  13  -3.958   6.018  -5.847
   78    HA   ASN  13           HA       ASN  13  -1.364   6.282  -7.335
   79   1HB   ASN  13          2HB       ASN  13  -2.969   8.161  -5.593
   80   2HB   ASN  13          1HB       ASN  13  -1.237   8.405  -5.819
   81   1HD2  ASN  13          1HD2      ASN  13  -4.367   8.407  -7.503
   82   2HD2  ASN  13          2HD2      ASN  13  -3.801   9.174  -8.907
   83    H    ASP  14           H        ASP  14  -1.033   4.112  -6.163
   84    HA   ASP  14           HA       ASP  14  -0.953   3.764  -3.374
   85   1HB   ASP  14          2HB       ASP  14   0.566   1.925  -3.881
   86   2HB   ASP  14          1HB       ASP  14  -0.643   2.035  -5.157
   87    H    GLN  15           H        GLN  15   0.349   4.514  -1.769
   88    HA   GLN  15           HA       GLN  15   2.870   5.959  -2.527
   89   1HB   GLN  15          2HB       GLN  15   0.656   6.552  -0.554
   90   2HB   GLN  15          1HB       GLN  15   2.240   7.314  -0.412
   91   1HG   GLN  15          2HG       GLN  15   1.954   8.589  -2.304
   92   2HG   GLN  15          1HG       GLN  15   0.955   7.373  -3.100
   93   1HE2  GLN  15          1HE2      GLN  15   0.864  10.274  -1.193
   94   2HE2  GLN  15          2HE2      GLN  15  -0.820  10.331  -0.982
   95    H    CYS  16           H        CYS  16   2.381   3.082  -1.614
   96    HA   CYS  16           HA       CYS  16   3.349   2.911   1.136
   97   1HB   CYS  16          2HB       CYS  16   3.137   0.888  -1.120
   98   2HB   CYS  16          1HB       CYS  16   3.423   0.490   0.572
   99    H    CYS  17           H        CYS  17   5.425   1.537   1.528
  100    HA   CYS  17           HA       CYS  17   7.660   2.864   0.158
  101   1HB   CYS  17          2HB       CYS  17   7.264   0.986   2.477
  102   2HB   CYS  17          1HB       CYS  17   8.885   1.260   1.841
  103    H    LYS  18           H        LYS  18   8.652   2.033  -1.616
  104    HA   LYS  18           HA       LYS  18   7.943  -0.562  -2.723
  105   1HB   LYS  18          2HB       LYS  18   9.815   1.705  -3.366
  106   2HB   LYS  18          1HB       LYS  18   9.951   0.191  -4.260
  107   1HG   LYS  18          2HG       LYS  18   7.221   1.360  -3.931
  108   2HG   LYS  18          1HG       LYS  18   8.316   2.146  -5.068
  109   1HD   LYS  18          2HD       LYS  18   8.496  -0.697  -5.438
  110   2HD   LYS  18          1HD       LYS  18   6.796  -0.228  -5.471
  111   1HE   LYS  18          2HE       LYS  18   7.272   1.477  -7.185
  112   2HE   LYS  18          1HE       LYS  18   8.995   1.056  -7.135
  113   1HZ   LYS  18          1HZ       LYS  18   7.847  -0.151  -8.904
  114   2HZ   LYS  18          2HZ       LYS  18   6.776  -0.823  -7.769
  115   3HZ   LYS  18          3HZ       LYS  18   8.428  -1.219  -7.720
  116    H    SER  19           H        SER  19  10.574   0.635  -0.700
  117    HA   SER  19           HA       SER  19  12.511  -1.419  -1.144
  118   1HB   SER  19          2HB       SER  19  11.791   0.392   1.166
  119   2HB   SER  19          1HB       SER  19  13.150  -0.724   1.264
  120    HG   SER  19           HG       SER  19  13.893   1.229   0.481
  121    H    SER  20           H        SER  20   9.689  -1.272   1.028
  122    HA   SER  20           HA       SER  20  10.290  -3.989   2.083
  123   1HB   SER  20          2HB       SER  20   8.378  -3.388   3.601
  124   2HB   SER  20          1HB       SER  20   9.696  -2.221   3.648
  125    HG   SER  20           HG       SER  20   8.195  -0.837   3.158
  126    H    ASN  21           H        ASN  21   9.148  -3.228  -0.754
  127    HA   ASN  21           HA       ASN  21   7.504  -4.032  -2.238
  128   1HB   ASN  21          2HB       ASN  21   8.536  -6.150  -0.492
  129   2HB   ASN  21          1HB       ASN  21   6.960  -6.548  -1.174
  130   1HD2  ASN  21          1HD2      ASN  21   9.548  -7.791  -1.921
  131   2HD2  ASN  21          2HD2      ASN  21   9.770  -7.472  -3.573
  132    H    LEU  22           H        LEU  22   6.099  -2.301  -0.932
  133    HA   LEU  22           HA       LEU  22   3.782  -3.702   0.361
  134   1HB   LEU  22          2HB       LEU  22   4.943  -0.911   0.560
  135   2HB   LEU  22          1HB       LEU  22   3.362  -1.321   1.223
  136    HG   LEU  22           HG       LEU  22   5.953  -2.722   1.949
  137   1HD1  LEU  22          1HD1      LEU  22   4.285  -0.753   3.546
  138   2HD1  LEU  22          2HD1      LEU  22   5.812  -0.362   2.755
  139   3HD1  LEU  22          3HD1      LEU  22   5.777  -1.530   4.076
  140   1HD2  LEU  22          1HD2      LEU  22   4.102  -4.228   2.235
  141   2HD2  LEU  22          2HD2      LEU  22   3.095  -2.958   2.930
  142   3HD2  LEU  22          3HD2      LEU  22   4.471  -3.587   3.836
  143    H    VAL  23           H        VAL  23   1.765  -3.486  -0.578
  144    HA   VAL  23           HA       VAL  23   1.527  -1.680  -2.967
  145    HB   VAL  23           HB       VAL  23   0.084  -3.434  -3.938
  146   1HG1  VAL  23          1HG1      VAL  23   2.613  -3.495  -4.182
  147   2HG1  VAL  23          2HG1      VAL  23   1.794  -5.036  -4.433
  148   3HG1  VAL  23          3HG1      VAL  23   2.625  -4.718  -2.911
  149   1HG2  VAL  23          1HG2      VAL  23   0.274  -5.723  -2.612
  150   2HG2  VAL  23          2HG2      VAL  23  -0.988  -4.560  -2.208
  151   3HG2  VAL  23          3HG2      VAL  23   0.470  -4.655  -1.223
  152    H    CYS  24           H        CYS  24  -0.330  -0.397  -3.043
  153    HA   CYS  24           HA       CYS  24  -1.847  -0.032  -0.596
  154   1HB   CYS  24          2HB       CYS  24  -1.687   1.127  -3.336
  155   2HB   CYS  24          1HB       CYS  24  -3.179   1.415  -2.440
  156    H    SER  25           H        SER  25  -3.695  -1.074  -0.002
  157    HA   SER  25           HA       SER  25  -4.954  -3.010  -1.836
  158   1HB   SER  25          2HB       SER  25  -4.409  -3.373   0.618
  159   2HB   SER  25          1HB       SER  25  -5.683  -2.219   1.002
  160    HG   SER  25           HG       SER  25  -6.189  -4.596   0.881
  161    H    ARG  26           H        ARG  26  -6.922  -2.702  -2.841
  162    HA   ARG  26           HA       ARG  26  -8.124  -0.024  -2.816
  163   1HB   ARG  26          2HB       ARG  26  -9.507  -0.971  -4.608
  164   2HB   ARG  26          1HB       ARG  26  -7.824  -1.427  -4.855
  165   1HG   ARG  26          2HG       ARG  26  -9.202  -3.373  -3.184
  166   2HG   ARG  26          1HG       ARG  26 -10.021  -3.166  -4.730
  167   1HD   ARG  26          2HD       ARG  26  -7.065  -3.333  -4.907
  168   2HD   ARG  26          1HD       ARG  26  -7.880  -4.821  -4.388
  169    HE   ARG  26           HE       ARG  26  -9.451  -4.021  -6.484
  170   1HH1  ARG  26          2HH1      ARG  26  -7.796  -6.379  -6.943
  171   2HH1  ARG  26          1HH1      ARG  26  -6.721  -5.887  -8.208
  172   1HH2  ARG  26          1HH2      ARG  26  -7.307  -2.494  -7.745
  173   2HH2  ARG  26          2HH2      ARG  26  -6.443  -3.682  -8.663
  174    H    LYS  27           H        LYS  27  -8.700  -3.058  -1.197
  175    HA   LYS  27           HA       LYS  27 -11.499  -2.371  -0.496
  176   1HB   LYS  27          2HB       LYS  27 -10.637  -4.681  -1.135
  177   2HB   LYS  27          1HB       LYS  27  -9.762  -4.693   0.396
  178   1HG   LYS  27          2HG       LYS  27 -11.863  -4.413   1.629
  179   2HG   LYS  27          1HG       LYS  27 -12.759  -4.329   0.112
  180   1HD   LYS  27          2HD       LYS  27 -12.025  -6.615  -0.454
  181   2HD   LYS  27          1HD       LYS  27 -11.132  -6.704   1.064
  182   1HE   LYS  27          2HE       LYS  27 -13.801  -5.867   1.681
  183   2HE   LYS  27          1HE       LYS  27 -13.898  -7.294   0.631
  184   1HZ   LYS  27          1HZ       LYS  27 -12.193  -7.037   3.056
  185   2HZ   LYS  27          2HZ       LYS  27 -12.256  -8.393   2.034
  186   3HZ   LYS  27          3HZ       LYS  27 -13.618  -7.949   2.946
  187    H    HIS  28           H        HIS  28  -8.332  -2.842   1.101
  188    HA   HIS  28           HA       HIS  28  -9.413  -1.933   3.701
  189   1HB   HIS  28          2HB       HIS  28  -6.765  -2.961   2.661
  190   2HB   HIS  28          1HB       HIS  28  -6.947  -2.369   4.312
  191    HD1  HIS  28           HD1      HIS  28  -8.115  -3.882   5.985
  192    HD2  HIS  28           HD2      HIS  28  -8.395  -5.307   2.078
  193    HE1  HIS  28           HE1      HIS  28  -9.119  -6.202   6.139
  194    H    ARG  29           H        ARG  29  -7.997  -0.486   0.923
  195    HA   ARG  29           HA       ARG  29  -7.139   1.666   0.501
  196   1HB   ARG  29          2HB       ARG  29  -8.949   1.947   2.898
  197   2HB   ARG  29          1HB       ARG  29  -8.121   3.357   2.238
  198   1HG   ARG  29          2HG       ARG  29  -9.219   3.174   0.153
  199   2HG   ARG  29          1HG       ARG  29  -9.704   1.505   0.457
  200   1HD   ARG  29          2HD       ARG  29 -11.080   2.450   2.436
  201   2HD   ARG  29          1HD       ARG  29 -10.846   4.032   1.665
  202    HE   ARG  29           HE       ARG  29 -11.989   3.170  -0.328
  203   1HH1  ARG  29          1HH2      ARG  29 -14.077   2.703   1.689
  204   2HH1  ARG  29          2HH2      ARG  29 -14.459   1.025   1.486
  205   1HH2  ARG  29          2HH1      ARG  29 -11.556   0.307  -0.284
  206   2HH2  ARG  29          1HH1      ARG  29 -13.027  -0.335   0.366
  207    H    TRP  30           H        TRP  30  -5.301  -0.035   1.844
  208    HA   TRP  30           HA       TRP  30  -3.697   2.000   3.285
  209   1HB   TRP  30          2HB       TRP  30  -3.422   0.615   5.237
  210   2HB   TRP  30          1HB       TRP  30  -5.146   0.730   4.918
  211    HD1  TRP  30           HD1      TRP  30  -4.266  -1.562   2.368
  212    HE1  TRP  30           HE1      TRP  30  -4.423  -4.019   3.118
  213    HE3  TRP  30           HE3      TRP  30  -4.355  -0.928   7.430
  214    HZ2  TRP  30           HZ2      TRP  30  -4.569  -5.521   5.544
  215    HZ3  TRP  30           HZ3      TRP  30  -4.505  -2.888   8.938
  216    HH2  TRP  30           HH2      TRP  30  -4.612  -5.183   8.003
  217    H    CYS  31           H        CYS  31  -1.531   0.573   4.036
  218    HA   CYS  31           HA       CYS  31  -0.444  -0.378   1.445
  219   1HB   CYS  31          2HB       CYS  31   0.643   0.524   4.105
  220   2HB   CYS  31          1HB       CYS  31   1.689  -0.312   2.958
  221    H    LYS  32           H        LYS  32  -0.711  -2.535   1.063
  222    HA   LYS  32           HA       LYS  32  -0.646  -4.465   3.339
  223   1HB   LYS  32          2HB       LYS  32  -2.312  -4.151   1.191
  224   2HB   LYS  32          1HB       LYS  32  -1.187  -5.356   0.566
  225   1HG   LYS  32          2HG       LYS  32  -1.577  -6.504   2.907
  226   2HG   LYS  32          1HG       LYS  32  -3.059  -5.547   2.904
  227   1HD   LYS  32          2HD       LYS  32  -3.948  -6.670   1.077
  228   2HD   LYS  32          1HD       LYS  32  -2.361  -7.111   0.446
  229   1HE   LYS  32          2HE       LYS  32  -2.825  -9.169   1.339
  230   2HE   LYS  32          1HE       LYS  32  -2.385  -8.414   2.883
  231   1HZ   LYS  32          1HZ       LYS  32  -5.105  -8.462   1.678
  232   2HZ   LYS  32          2HZ       LYS  32  -4.689  -7.680   3.128
  233   3HZ   LYS  32          3HZ       LYS  32  -4.599  -9.372   3.015
  234    H    TYR  33           H        TYR  33   0.520  -6.618   2.723
  235    HA   TYR  33           HA       TYR  33   3.187  -5.931   1.554
  236   1HB   TYR  33          2HB       TYR  33   2.896  -6.742   3.941
  237   2HB   TYR  33          1HB       TYR  33   2.360  -8.286   3.277
  238    HD1  TYR  33           HD1      TYR  33   3.916  -9.870   2.405
  239    HD2  TYR  33           HD2      TYR  33   5.211  -5.894   3.392
  240    HE1  TYR  33           HE1      TYR  33   6.278 -10.564   2.106
  241    HE2  TYR  33           HE2      TYR  33   7.572  -6.589   3.093
  242    HH   TYR  33           HH       TYR  33   8.634  -8.852   1.496
  243    H    GLU  34           H        GLU  34   4.154  -7.385   0.031
  244    HA   GLU  34           HA       GLU  34   2.281  -8.724  -1.772
  245   1HB   GLU  34          2HB       GLU  34   5.140  -7.950  -1.641
  246   2HB   GLU  34          1HB       GLU  34   4.802  -9.381  -2.614
  247   1HG   GLU  34          2HG       GLU  34   3.536  -8.211  -4.153
  248   2HG   GLU  34          1HG       GLU  34   3.035  -6.995  -2.977
  249    H    ILE  35           H        ILE  35   1.463 -10.692  -1.112
  250    HA   ILE  35           HA       ILE  35   3.143 -12.553   0.476
  251    HB   ILE  35           HB       ILE  35   0.254 -12.625  -0.469
  252   1HG1  ILE  35          1HG1      ILE  35   0.531 -12.430   2.363
  253   2HG1  ILE  35          2HG1      ILE  35   1.584 -11.207   1.652
  254   1HG2  ILE  35          1HG2      ILE  35   1.796 -14.413   1.434
  255   2HG2  ILE  35          2HG2      ILE  35   0.038 -14.404   1.302
  256   3HG2  ILE  35          3HG2      ILE  35   1.023 -14.889  -0.078
  257   1HD1  ILE  35          1HD1      ILE  35  -0.311 -10.402   0.268
  258   2HD1  ILE  35          2HD1      ILE  35  -1.359 -11.598   1.030
  259   3HD1  ILE  35          3HD1      ILE  35  -0.669 -10.290   1.991
  260   1HN   NH2  36          1HN       NH2  36   3.205 -13.086  -3.409
  261   2HN   NH2  36          2HN       NH2  36   2.923 -11.628  -2.433
  Start of MODEL    6
    1   1H    GLU   1          1H        GLU   1   4.362  10.135   4.353
    2   2H    GLU   1          2H        GLU   1   5.080  11.483   3.610
    3   3H    GLU   1          3H        GLU   1   5.956  10.563   4.740
    4    HA   GLU   1           HA       GLU   1   5.032   9.614   2.071
    5   1HB   GLU   1          2HB       GLU   1   7.442  10.943   3.172
    6   2HB   GLU   1          1HB       GLU   1   7.765   9.555   2.132
    7   1HG   GLU   1          2HG       GLU   1   5.691  11.099   0.913
    8   2HG   GLU   1          1HG       GLU   1   6.998  12.198   1.355
    9    H    CYS   2           H        CYS   2   5.601   7.425   1.633
   10    HA   CYS   2           HA       CYS   2   6.011   5.161   2.127
   11   1HB   CYS   2          2HB       CYS   2   8.174   6.502   2.881
   12   2HB   CYS   2          1HB       CYS   2   7.642   6.029   4.493
   13    H    LEU   3           H        LEU   3   3.923   4.568   2.818
   14    HA   LEU   3           HA       LEU   3   3.167   4.987   5.664
   15   1HB   LEU   3          2HB       LEU   3   1.739   3.911   3.210
   16   2HB   LEU   3          1HB       LEU   3   0.985   4.047   4.798
   17    HG   LEU   3           HG       LEU   3   2.226   6.375   3.300
   18   1HD1  LEU   3          1HD1      LEU   3  -0.708   5.712   3.673
   19   2HD1  LEU   3          2HD1      LEU   3   0.191   5.400   2.187
   20   3HD1  LEU   3          3HD1      LEU   3  -0.032   7.056   2.753
   21   1HD2  LEU   3          1HD2      LEU   3   0.804   7.646   5.007
   22   2HD2  LEU   3          2HD2      LEU   3   2.220   6.817   5.653
   23   3HD2  LEU   3          3HD2      LEU   3   0.617   6.110   5.852
   24    H    GLY   4           H        GLY   4   2.789   3.214   7.084
   25   1HA   GLY   4          2HA       GLY   4   4.361   0.823   6.577
   26   2HA   GLY   4          1HA       GLY   4   3.373   1.124   8.005
   27    H    PHE   5           H        PHE   5   3.108  -1.364   7.309
   28    HA   PHE   5           HA       PHE   5   1.260  -1.961   5.159
   29   1HB   PHE   5          2HB       PHE   5   2.783  -3.631   6.014
   30   2HB   PHE   5          1HB       PHE   5   2.177  -3.419   7.656
   31    HD1  PHE   5           HD1      PHE   5   0.409  -4.755   8.448
   32    HD2  PHE   5           HD2      PHE   5   1.072  -4.420   4.216
   33    HE1  PHE   5           HE1      PHE   5  -1.322  -6.483   8.038
   34    HE2  PHE   5           HE2      PHE   5  -0.659  -6.148   3.810
   35    HZ   PHE   5           HZ       PHE   5  -1.855  -7.179   5.719
   36    H    GLY   6           H        GLY   6  -0.983  -2.135   5.227
   37   1HA   GLY   6          2HA       GLY   6  -3.167  -2.080   6.099
   38   2HA   GLY   6          1HA       GLY   6  -2.482  -2.177   7.719
   39    H    LYS   7           H        LYS   7  -1.590   0.310   5.369
   40    HA   LYS   7           HA       LYS   7  -2.710   2.365   7.229
   41   1HB   LYS   7          2HB       LYS   7  -0.204   2.028   6.283
   42   2HB   LYS   7          1HB       LYS   7  -0.858   3.030   4.987
   43   1HG   LYS   7          2HG       LYS   7  -0.057   4.631   6.492
   44   2HG   LYS   7          1HG       LYS   7  -1.758   4.518   6.943
   45   1HD   LYS   7          2HD       LYS   7  -0.409   2.489   8.391
   46   2HD   LYS   7          1HD       LYS   7   0.569   3.949   8.545
   47   1HE   LYS   7          2HE       LYS   7  -1.276   5.204   9.440
   48   2HE   LYS   7          1HE       LYS   7  -2.430   3.924   9.016
   49   1HZ   LYS   7          1HZ       LYS   7  -0.139   3.612  10.888
   50   2HZ   LYS   7          2HZ       LYS   7  -1.278   2.414  10.492
   51   3HZ   LYS   7          3HZ       LYS   7  -1.759   3.796  11.356
   52    H    GLY   8           H        GLY   8  -4.505   3.460   6.542
   53   1HA   GLY   8          2HA       GLY   8  -5.906   2.939   4.155
   54   2HA   GLY   8          1HA       GLY   8  -6.130   4.390   5.130
   55    H    CYS   9           H        CYS   9  -5.176   3.288   2.114
   56    HA   CYS   9           HA       CYS   9  -4.095   5.968   1.410
   57   1HB   CYS   9          2HB       CYS   9  -2.082   5.038   0.476
   58   2HB   CYS   9          1HB       CYS   9  -2.242   4.358   2.094
   59    H    ASN  10           H        ASN  10  -3.790   6.050  -1.086
   60    HA   ASN  10           HA       ASN  10  -6.181   4.799  -2.347
   61   1HB   ASN  10          2HB       ASN  10  -4.467   7.211  -2.724
   62   2HB   ASN  10          1HB       ASN  10  -5.223   6.541  -4.169
   63   1HD2  ASN  10          1HD2      ASN  10  -7.396   7.090  -4.519
   64   2HD2  ASN  10          2HD2      ASN  10  -8.404   7.806  -3.356
   65    HA   PRO  11           HA       PRO  11  -3.622   1.943  -4.565
   66   1HB   PRO  11          2HB       PRO  11  -5.355   1.342  -6.601
   67   2HB   PRO  11          1HB       PRO  11  -5.532   0.706  -4.953
   68   1HG   PRO  11          2HG       PRO  11  -6.946   2.976  -6.268
   69   2HG   PRO  11          1HG       PRO  11  -7.577   1.736  -5.173
   70   1HD   PRO  11          2HD       PRO  11  -6.996   4.260  -4.363
   71   2HD   PRO  11          1HD       PRO  11  -6.875   2.846  -3.291
   72    H    SER  12           H        SER  12  -5.228   4.602  -6.312
   73    HA   SER  12           HA       SER  12  -3.619   4.469  -8.707
   74   1HB   SER  12          2HB       SER  12  -5.875   5.626  -8.244
   75   2HB   SER  12          1HB       SER  12  -4.933   6.916  -7.501
   76    HG   SER  12           HG       SER  12  -5.395   7.206  -9.775
   77    H    ASN  13           H        ASN  13  -3.366   6.397  -5.707
   78    HA   ASN  13           HA       ASN  13  -0.940   7.778  -6.568
   79   1HB   ASN  13          2HB       ASN  13  -2.728   8.653  -5.020
   80   2HB   ASN  13          1HB       ASN  13  -2.181   7.484  -3.817
   81   1HD2  ASN  13          1HD2      ASN  13  -0.540   8.203  -2.440
   82   2HD2  ASN  13          2HD2      ASN  13   0.472   9.530  -2.751
   83    H    ASP  14           H        ASP  14  -1.692   5.153  -4.277
   84    HA   ASP  14           HA       ASP  14  -0.328   3.503  -3.302
   85   1HB   ASP  14          2HB       ASP  14   0.116   3.468  -5.913
   86   2HB   ASP  14          1HB       ASP  14   1.709   4.054  -5.437
   87    H    GLN  15           H        GLN  15   0.061   5.044  -1.490
   88    HA   GLN  15           HA       GLN  15   2.762   6.329  -1.517
   89   1HB   GLN  15          2HB       GLN  15   0.155   7.054  -0.633
   90   2HB   GLN  15          1HB       GLN  15   1.158   6.894   0.808
   91   1HG   GLN  15          2HG       GLN  15   2.048   8.450  -1.629
   92   2HG   GLN  15          1HG       GLN  15   1.167   9.195  -0.296
   93   1HE2  GLN  15          1HE2      GLN  15   4.257   8.805  -1.394
   94   2HE2  GLN  15          2HE2      GLN  15   5.095   8.815   0.081
   95    H    CYS  16           H        CYS  16   1.973   3.340  -0.951
   96    HA   CYS  16           HA       CYS  16   2.557   2.892   1.862
   97   1HB   CYS  16          2HB       CYS  16   2.563   1.134  -0.612
   98   2HB   CYS  16          1HB       CYS  16   2.745   0.515   1.029
   99    H    CYS  17           H        CYS  17   4.507   1.477   2.477
  100    HA   CYS  17           HA       CYS  17   6.968   2.800   1.597
  101   1HB   CYS  17          2HB       CYS  17   6.081   0.832   3.667
  102   2HB   CYS  17          1HB       CYS  17   7.795   0.862   3.260
  103    H    LYS  18           H        LYS  18   7.753   2.172  -0.394
  104    HA   LYS  18           HA       LYS  18   7.361  -0.448  -1.557
  105   1HB   LYS  18          2HB       LYS  18   8.932   0.426  -3.261
  106   2HB   LYS  18          1HB       LYS  18   7.715   1.630  -2.845
  107   1HG   LYS  18          2HG       LYS  18   9.429   3.048  -2.453
  108   2HG   LYS  18          1HG       LYS  18   9.766   2.094  -1.009
  109   1HD   LYS  18          2HD       LYS  18  11.460   0.869  -2.050
  110   2HD   LYS  18          1HD       LYS  18  10.831   1.185  -3.667
  111   1HE   LYS  18          2HE       LYS  18  11.517   3.548  -3.494
  112   2HE   LYS  18          1HE       LYS  18  12.133   3.252  -1.856
  113   1HZ   LYS  18          1HZ       LYS  18  13.011   1.807  -4.304
  114   2HZ   LYS  18          2HZ       LYS  18  13.609   1.564  -2.732
  115   3HZ   LYS  18          3HZ       LYS  18  13.889   3.036  -3.533
  116    H    SER  19           H        SER  19   9.786   0.876   0.608
  117    HA   SER  19           HA       SER  19  11.924  -0.975   0.091
  118   1HB   SER  19          2HB       SER  19  11.882   1.243   1.393
  119   2HB   SER  19          1HB       SER  19  11.220   0.316   2.737
  120    HG   SER  19           HG       SER  19  13.767   0.462   1.806
  121    H    SER  20           H        SER  20   9.010  -1.166   2.106
  122    HA   SER  20           HA       SER  20   9.866  -3.831   3.146
  123   1HB   SER  20          2HB       SER  20   9.009  -1.854   4.576
  124   2HB   SER  20          1HB       SER  20   7.422  -2.218   3.906
  125    HG   SER  20           HG       SER  20   9.001  -3.649   5.694
  126    H    ASN  21           H        ASN  21   8.836  -3.240   0.331
  127    HA   ASN  21           HA       ASN  21   7.354  -4.191  -1.232
  128   1HB   ASN  21          2HB       ASN  21   7.916  -6.177   0.910
  129   2HB   ASN  21          1HB       ASN  21   6.578  -6.564  -0.171
  130   1HD2  ASN  21          1HD2      ASN  21   7.081  -6.686  -2.533
  131   2HD2  ASN  21          2HD2      ASN  21   8.671  -7.000  -3.039
  132    H    LEU  22           H        LEU  22   5.874  -2.303  -0.398
  133    HA   LEU  22           HA       LEU  22   3.293  -3.514   0.534
  134   1HB   LEU  22          2HB       LEU  22   4.711  -0.993   1.437
  135   2HB   LEU  22          1HB       LEU  22   3.008  -1.295   1.775
  136    HG   LEU  22           HG       LEU  22   5.209  -3.234   2.527
  137   1HD1  LEU  22          1HD1      LEU  22   5.086  -2.326   4.780
  138   2HD1  LEU  22          2HD1      LEU  22   3.829  -1.190   4.290
  139   3HD1  LEU  22          3HD1      LEU  22   5.468  -1.016   3.663
  140   1HD2  LEU  22          1HD2      LEU  22   2.295  -2.929   3.322
  141   2HD2  LEU  22          2HD2      LEU  22   3.416  -4.059   4.083
  142   3HD2  LEU  22          3HD2      LEU  22   2.998  -4.243   2.379
  143    H    VAL  23           H        VAL  23   1.559  -2.918  -0.728
  144    HA   VAL  23           HA       VAL  23   1.834  -0.530  -2.518
  145    HB   VAL  23           HB       VAL  23   0.752  -1.982  -4.300
  146   1HG1  VAL  23          1HG1      VAL  23   2.854  -3.152  -4.869
  147   2HG1  VAL  23          2HG1      VAL  23   3.445  -2.877  -3.231
  148   3HG1  VAL  23          3HG1      VAL  23   3.165  -1.509  -4.307
  149   1HG2  VAL  23          1HG2      VAL  23   1.587  -4.266  -2.488
  150   2HG2  VAL  23          2HG2      VAL  23   0.735  -4.375  -4.028
  151   3HG2  VAL  23          3HG2      VAL  23  -0.077  -3.699  -2.617
  152    H    CYS  24           H        CYS  24  -0.122   0.576  -2.879
  153    HA   CYS  24           HA       CYS  24  -2.221   0.249  -0.923
  154   1HB   CYS  24          2HB       CYS  24  -1.780   1.899  -3.406
  155   2HB   CYS  24          1HB       CYS  24  -3.306   1.985  -2.526
  156    H    SER  25           H        SER  25  -4.197  -0.782  -1.110
  157    HA   SER  25           HA       SER  25  -4.687  -2.356  -3.612
  158   1HB   SER  25          2HB       SER  25  -5.437  -2.667  -0.695
  159   2HB   SER  25          1HB       SER  25  -6.168  -3.656  -1.957
  160    HG   SER  25           HG       SER  25  -4.441  -4.826  -1.499
  161    H    ARG  26           H        ARG  26  -6.814  -2.331  -4.528
  162    HA   ARG  26           HA       ARG  26  -8.347   0.142  -4.015
  163   1HB   ARG  26          2HB       ARG  26  -9.453  -0.440  -6.082
  164   2HB   ARG  26          1HB       ARG  26  -7.738  -0.780  -6.294
  165   1HG   ARG  26          2HG       ARG  26  -8.213  -3.181  -5.687
  166   2HG   ARG  26          1HG       ARG  26  -9.932  -2.787  -5.700
  167   1HD   ARG  26          2HD       ARG  26  -9.593  -1.927  -8.085
  168   2HD   ARG  26          1HD       ARG  26  -7.998  -2.705  -8.032
  169    HE   ARG  26           HE       ARG  26  -9.085  -4.853  -7.829
  170   1HH1  ARG  26          1HH2      ARG  26 -10.781  -3.572  -9.996
  171   2HH1  ARG  26          2HH2      ARG  26 -12.381  -3.915  -9.429
  172   1HH2  ARG  26          2HH1      ARG  26 -11.356  -4.702  -6.203
  173   2HH2  ARG  26          1HH1      ARG  26 -12.708  -4.557  -7.276
  174    H    LYS  27           H        LYS  27  -8.713  -3.358  -3.548
  175    HA   LYS  27           HA       LYS  27 -11.528  -3.205  -2.767
  176   1HB   LYS  27          2HB       LYS  27  -9.557  -5.165  -3.424
  177   2HB   LYS  27          1HB       LYS  27 -10.168  -5.556  -1.816
  178   1HG   LYS  27          2HG       LYS  27 -12.493  -4.939  -3.111
  179   2HG   LYS  27          1HG       LYS  27 -11.551  -5.636  -4.429
  180   1HD   LYS  27          2HD       LYS  27 -11.269  -7.696  -3.293
  181   2HD   LYS  27          1HD       LYS  27 -11.755  -7.003  -1.745
  182   1HE   LYS  27          2HE       LYS  27 -14.051  -6.574  -2.818
  183   2HE   LYS  27          1HE       LYS  27 -13.514  -7.645  -4.127
  184   1HZ   LYS  27          1HZ       LYS  27 -12.989  -9.342  -2.492
  185   2HZ   LYS  27          2HZ       LYS  27 -14.622  -8.894  -2.359
  186   3HZ   LYS  27          3HZ       LYS  27 -13.489  -8.323  -1.230
  187    H    HIS  28           H        HIS  28  -8.395  -3.402  -1.063
  188    HA   HIS  28           HA       HIS  28  -9.759  -3.288   1.578
  189   1HB   HIS  28          2HB       HIS  28  -6.835  -3.478   0.780
  190   2HB   HIS  28          1HB       HIS  28  -7.466  -3.674   2.414
  191    HD1  HIS  28           HD1      HIS  28  -6.897  -5.496  -0.739
  192    HD2  HIS  28           HD2      HIS  28  -9.156  -6.055   2.719
  193    HE1  HIS  28           HE1      HIS  28  -7.600  -7.929  -0.728
  194    H    ARG  29           H        ARG  29  -8.109  -1.184  -0.677
  195    HA   ARG  29           HA       ARG  29  -7.631   1.118  -0.608
  196   1HB   ARG  29          2HB       ARG  29  -9.992   0.580   0.917
  197   2HB   ARG  29          1HB       ARG  29  -9.090   1.848   1.746
  198   1HG   ARG  29          2HG       ARG  29 -10.050   3.258   0.252
  199   2HG   ARG  29          1HG       ARG  29  -8.875   2.612  -0.894
  200   1HD   ARG  29          2HD       ARG  29 -10.755   0.686  -1.103
  201   2HD   ARG  29          1HD       ARG  29 -11.795   2.060  -0.675
  202    HE   ARG  29           HE       ARG  29 -10.160   1.833  -3.121
  203   1HH1  ARG  29          2HH1      ARG  29 -13.036   2.806  -2.959
  204   2HH1  ARG  29          1HH1      ARG  29 -12.836   4.507  -3.217
  205   1HH2  ARG  29          1HH2      ARG  29  -9.418   4.472  -2.590
  206   2HH2  ARG  29          2HH2      ARG  29 -10.784   5.453  -3.008
  207    H    TRP  30           H        TRP  30  -5.804  -0.674   0.793
  208    HA   TRP  30           HA       TRP  30  -4.568   1.310   2.613
  209   1HB   TRP  30          2HB       TRP  30  -4.519  -0.179   4.493
  210   2HB   TRP  30          1HB       TRP  30  -6.173  -0.187   3.898
  211    HD1  TRP  30           HD1      TRP  30  -4.819  -2.189   1.369
  212    HE1  TRP  30           HE1      TRP  30  -4.802  -4.699   1.929
  213    HE3  TRP  30           HE3      TRP  30  -5.452  -1.974   6.434
  214    HZ2  TRP  30           HZ2      TRP  30  -5.030  -6.399   4.212
  215    HZ3  TRP  30           HZ3      TRP  30  -5.551  -4.057   7.773
  216    HH2  TRP  30           HH2      TRP  30  -5.341  -6.267   6.670
  217    H    CYS  31           H        CYS  31  -2.472  -0.129   3.596
  218    HA   CYS  31           HA       CYS  31  -0.898  -0.705   1.164
  219   1HB   CYS  31          2HB       CYS  31  -0.321  -0.423   4.122
  220   2HB   CYS  31          1HB       CYS  31   0.925  -0.904   2.972
  221    H    LYS  32           H        LYS  32  -0.740  -2.757   0.390
  222    HA   LYS  32           HA       LYS  32  -1.181  -5.055   2.271
  223   1HB   LYS  32          2HB       LYS  32  -2.869  -4.665   0.473
  224   2HB   LYS  32          1HB       LYS  32  -1.591  -4.822  -0.731
  225   1HG   LYS  32          2HG       LYS  32  -1.990  -7.040  -0.739
  226   2HG   LYS  32          1HG       LYS  32  -1.325  -7.096   0.893
  227   1HD   LYS  32          2HD       LYS  32  -3.354  -7.522   1.771
  228   2HD   LYS  32          1HD       LYS  32  -4.050  -6.123   0.957
  229   1HE   LYS  32          2HE       LYS  32  -5.262  -7.890  -0.013
  230   2HE   LYS  32          1HE       LYS  32  -3.940  -7.691  -1.179
  231   1HZ   LYS  32          1HZ       LYS  32  -3.898  -9.543   1.150
  232   2HZ   LYS  32          2HZ       LYS  32  -2.672  -9.369  -0.015
  233   3HZ   LYS  32          3HZ       LYS  32  -4.182 -10.012  -0.455
  234    H    TYR  33           H        TYR  33   0.335  -6.767   2.205
  235    HA   TYR  33           HA       TYR  33   2.994  -6.128   1.160
  236   1HB   TYR  33          2HB       TYR  33   2.163  -7.420   3.320
  237   2HB   TYR  33          1HB       TYR  33   2.176  -8.811   2.235
  238    HD1  TYR  33           HD1      TYR  33   4.216  -6.333   4.000
  239    HD2  TYR  33           HD2      TYR  33   4.280  -9.560   1.164
  240    HE1  TYR  33           HE1      TYR  33   6.677  -6.503   4.249
  241    HE2  TYR  33           HE2      TYR  33   6.741  -9.730   1.414
  242    HH   TYR  33           HH       TYR  33   8.422  -8.833   3.704
  243    H    GLU  34           H        GLU  34   4.036  -7.140  -0.586
  244    HA   GLU  34           HA       GLU  34   2.310  -8.355  -2.630
  245   1HB   GLU  34          2HB       GLU  34   5.185  -7.487  -2.371
  246   2HB   GLU  34          1HB       GLU  34   4.667  -8.428  -3.771
  247   1HG   GLU  34          2HG       GLU  34   3.388  -6.721  -4.620
  248   2HG   GLU  34          1HG       GLU  34   2.961  -6.105  -3.023
  249    H    ILE  35           H        ILE  35   1.944 -10.526  -2.739
  250    HA   ILE  35           HA       ILE  35   3.624 -12.401  -1.183
  251    HB   ILE  35           HB       ILE  35   1.082 -12.359  -1.258
  252   1HG1  ILE  35          1HG1      ILE  35   1.789 -15.051  -2.257
  253   2HG1  ILE  35          2HG1      ILE  35   2.819 -14.451  -0.957
  254   1HG2  ILE  35          1HG2      ILE  35   1.061 -12.001  -3.794
  255   2HG2  ILE  35          2HG2      ILE  35   1.432 -13.718  -3.938
  256   3HG2  ILE  35          3HG2      ILE  35  -0.069 -13.202  -3.170
  257   1HD1  ILE  35          1HD1      ILE  35  -0.209 -14.428  -0.839
  258   2HD1  ILE  35          2HD1      ILE  35   0.786 -15.713  -0.155
  259   3HD1  ILE  35          3HD1      ILE  35   0.910 -14.071   0.476
  260   1HN   NH2  36          1HN       NH2  36   5.796 -13.292  -3.586
  261   2HN   NH2  36          2HN       NH2  36   5.384 -12.633  -1.987
  Start of MODEL    7
    1   1H    GLU   1          1H        GLU   1   7.528  11.175   0.488
    2   2H    GLU   1          2H        GLU   1   8.791  10.100   0.854
    3   3H    GLU   1          3H        GLU   1   8.737  11.630   1.588
    4    HA   GLU   1           HA       GLU   1   8.005   9.950   3.162
    5   1HB   GLU   1          2HB       GLU   1   6.911  12.359   2.558
    6   2HB   GLU   1          1HB       GLU   1   5.492  11.330   2.370
    7   1HG   GLU   1          2HG       GLU   1   5.737  10.469   4.619
    8   2HG   GLU   1          1HG       GLU   1   7.281  11.301   4.814
    9    H    CYS   2           H        CYS   2   7.213   7.883   3.275
   10    HA   CYS   2           HA       CYS   2   5.138   7.038   1.274
   11   1HB   CYS   2          2HB       CYS   2   6.342   4.951   1.046
   12   2HB   CYS   2          1HB       CYS   2   7.505   6.259   0.839
   13    H    LEU   3           H        LEU   3   3.921   5.060   2.037
   14    HA   LEU   3           HA       LEU   3   3.292   5.310   4.938
   15   1HB   LEU   3          2HB       LEU   3   1.925   4.107   2.515
   16   2HB   LEU   3          1HB       LEU   3   1.293   3.914   4.149
   17    HG   LEU   3           HG       LEU   3   1.948   6.642   3.035
   18   1HD1  LEU   3          1HD1      LEU   3  -0.237   6.871   2.159
   19   2HD1  LEU   3          2HD1      LEU   3  -0.813   5.422   2.984
   20   3HD1  LEU   3          3HD1      LEU   3   0.276   5.277   1.604
   21   1HD2  LEU   3          1HD2      LEU   3   1.493   6.067   5.543
   22   2HD2  LEU   3          2HD2      LEU   3  -0.186   5.897   5.032
   23   3HD2  LEU   3          3HD2      LEU   3   0.646   7.438   4.829
   24    H    GLY   4           H        GLY   4   3.479   3.544   6.348
   25   1HA   GLY   4          2HA       GLY   4   5.313   1.413   5.574
   26   2HA   GLY   4          1HA       GLY   4   4.557   1.606   7.156
   27    H    PHE   5           H        PHE   5   4.038  -0.667   7.210
   28    HA   PHE   5           HA       PHE   5   2.233  -1.758   5.137
   29   1HB   PHE   5          2HB       PHE   5   4.009  -3.149   6.034
   30   2HB   PHE   5          1HB       PHE   5   3.476  -2.841   7.686
   31    HD1  PHE   5           HD1      PHE   5   1.911  -3.974   4.452
   32    HD2  PHE   5           HD2      PHE   5   2.303  -4.572   8.689
   33    HE1  PHE   5           HE1      PHE   5   0.362  -5.905   4.325
   34    HE2  PHE   5           HE2      PHE   5   0.755  -6.504   8.559
   35    HZ   PHE   5           HZ       PHE   5  -0.216  -7.170   6.376
   36    H    GLY   6           H        GLY   6   0.036  -1.708   5.331
   37   1HA   GLY   6          2HA       GLY   6  -2.082  -1.795   6.384
   38   2HA   GLY   6          1HA       GLY   6  -1.274  -1.818   7.951
   39    H    LYS   7           H        LYS   7  -0.835   0.577   5.360
   40    HA   LYS   7           HA       LYS   7  -1.841   2.679   7.250
   41   1HB   LYS   7          2HB       LYS   7   0.466   2.400   5.397
   42   2HB   LYS   7          1HB       LYS   7  -0.297   3.990   5.432
   43   1HG   LYS   7          2HG       LYS   7   1.201   4.239   7.179
   44   2HG   LYS   7          1HG       LYS   7  -0.185   3.600   8.062
   45   1HD   LYS   7          2HD       LYS   7   1.158   1.331   7.108
   46   2HD   LYS   7          1HD       LYS   7   2.436   2.413   7.658
   47   1HE   LYS   7          2HE       LYS   7   0.922   2.728   9.776
   48   2HE   LYS   7          1HE       LYS   7   0.181   1.204   9.246
   49   1HZ   LYS   7          1HZ       LYS   7   2.389   0.221   9.102
   50   2HZ   LYS   7          2HZ       LYS   7   2.088   0.780  10.677
   51   3HZ   LYS   7          3HZ       LYS   7   3.093   1.670   9.636
   52    H    GLY   8           H        GLY   8  -3.567   3.892   6.545
   53   1HA   GLY   8          2HA       GLY   8  -5.149   3.199   4.324
   54   2HA   GLY   8          1HA       GLY   8  -5.231   4.760   5.138
   55    H    CYS   9           H        CYS   9  -4.689   3.364   2.195
   56    HA   CYS   9           HA       CYS   9  -3.289   5.804   1.191
   57   1HB   CYS   9          2HB       CYS   9  -1.627   4.511   0.105
   58   2HB   CYS   9          1HB       CYS   9  -1.787   3.740   1.681
   59    H    ASN  10           H        ASN  10  -3.286   5.569  -1.397
   60    HA   ASN  10           HA       ASN  10  -6.088   4.849  -2.173
   61   1HB   ASN  10          2HB       ASN  10  -4.018   6.835  -3.105
   62   2HB   ASN  10          1HB       ASN  10  -5.376   6.409  -4.146
   63   1HD2  ASN  10          1HD2      ASN  10  -5.338   9.032  -3.362
   64   2HD2  ASN  10          2HD2      ASN  10  -6.494   9.331  -2.155
   65    HA   PRO  11           HA       PRO  11  -4.403   1.602  -4.675
   66   1HB   PRO  11          2HB       PRO  11  -6.548   1.208  -6.328
   67   2HB   PRO  11          1HB       PRO  11  -6.514   0.659  -4.640
   68   1HG   PRO  11          2HG       PRO  11  -7.815   3.059  -5.823
   69   2HG   PRO  11          1HG       PRO  11  -8.391   1.977  -4.545
   70   1HD   PRO  11          2HD       PRO  11  -7.300   4.432  -4.065
   71   2HD   PRO  11          1HD       PRO  11  -7.237   3.084  -2.908
   72    H    SER  12           H        SER  12  -5.712   4.571  -6.063
   73    HA   SER  12           HA       SER  12  -4.514   4.078  -8.719
   74   1HB   SER  12          2HB       SER  12  -5.527   6.346  -9.139
   75   2HB   SER  12          1HB       SER  12  -6.684   5.157  -8.549
   76    HG   SER  12           HG       SER  12  -5.688   7.444  -7.352
   77    H    ASN  13           H        ASN  13  -4.006   6.267  -5.927
   78    HA   ASN  13           HA       ASN  13  -1.682   7.560  -7.167
   79   1HB   ASN  13          2HB       ASN  13  -3.501   8.312  -5.334
   80   2HB   ASN  13          1HB       ASN  13  -2.258   7.704  -4.240
   81   1HD2  ASN  13          1HD2      ASN  13  -2.925  10.160  -6.729
   82   2HD2  ASN  13          2HD2      ASN  13  -1.572  11.124  -6.380
   83    H    ASP  14           H        ASP  14  -2.266   5.064  -4.717
   84    HA   ASP  14           HA       ASP  14  -0.829   3.519  -3.683
   85   1HB   ASP  14          2HB       ASP  14  -0.062   3.896  -6.445
   86   2HB   ASP  14          1HB       ASP  14   1.364   3.524  -5.476
   87    H    GLN  15           H        GLN  15  -0.384   5.012  -1.911
   88    HA   GLN  15           HA       GLN  15   2.191   6.520  -2.094
   89   1HB   GLN  15          2HB       GLN  15  -0.229   6.586  -0.278
   90   2HB   GLN  15          1HB       GLN  15   1.238   7.498   0.079
   91   1HG   GLN  15          2HG       GLN  15   1.060   8.642  -2.104
   92   2HG   GLN  15          1HG       GLN  15  -0.411   7.735  -2.457
   93   1HE2  GLN  15          1HE2      GLN  15  -2.280   8.090  -0.881
   94   2HE2  GLN  15          2HE2      GLN  15  -2.416   9.604  -0.127
   95    H    CYS  16           H        CYS  16   1.870   3.483  -1.632
   96    HA   CYS  16           HA       CYS  16   2.731   3.091   1.156
   97   1HB   CYS  16          2HB       CYS  16   2.493   1.286  -1.273
   98   2HB   CYS  16          1HB       CYS  16   2.897   0.713   0.344
   99    H    CYS  17           H        CYS  17   4.842   1.972   1.608
  100    HA   CYS  17           HA       CYS  17   7.035   3.273   0.139
  101   1HB   CYS  17          2HB       CYS  17   6.542   2.516   2.747
  102   2HB   CYS  17          1HB       CYS  17   7.661   1.266   2.205
  103    H    LYS  18           H        LYS  18   7.768   2.327  -1.710
  104    HA   LYS  18           HA       LYS  18   7.315  -0.432  -2.434
  105   1HB   LYS  18          2HB       LYS  18   7.801   1.776  -3.802
  106   2HB   LYS  18          1HB       LYS  18   9.485   1.287  -3.607
  107   1HG   LYS  18          2HG       LYS  18   8.776  -1.008  -4.483
  108   2HG   LYS  18          1HG       LYS  18   7.251  -0.251  -4.944
  109   1HD   LYS  18          2HD       LYS  18   8.215   0.504  -6.828
  110   2HD   LYS  18          1HD       LYS  18   9.331   1.460  -5.853
  111   1HE   LYS  18          2HE       LYS  18  11.052  -0.020  -6.150
  112   2HE   LYS  18          1HE       LYS  18   9.983  -1.431  -6.029
  113   1HZ   LYS  18          1HZ       LYS  18  10.104   0.430  -8.346
  114   2HZ   LYS  18          2HZ       LYS  18   9.116  -0.948  -8.220
  115   3HZ   LYS  18          3HZ       LYS  18  10.805  -1.114  -8.302
  116    H    SER  19           H        SER  19   9.872   1.194  -0.657
  117    HA   SER  19           HA       SER  19  12.022  -0.649  -1.023
  118   1HB   SER  19          2HB       SER  19  11.163   1.205   1.209
  119   2HB   SER  19          1HB       SER  19  12.675   0.305   1.271
  120    HG   SER  19           HG       SER  19  13.484   1.701  -0.064
  121    H    SER  20           H        SER  20   9.183  -0.758   1.106
  122    HA   SER  20           HA       SER  20  10.176  -3.299   2.331
  123   1HB   SER  20          2HB       SER  20   8.081  -1.234   3.032
  124   2HB   SER  20          1HB       SER  20   8.173  -2.782   3.868
  125    HG   SER  20           HG       SER  20   9.857  -0.584   3.957
  126    H    ASN  21           H        ASN  21   8.939  -2.966  -0.462
  127    HA   ASN  21           HA       ASN  21   7.370  -4.082  -1.823
  128   1HB   ASN  21          2HB       ASN  21   8.626  -5.827  -0.088
  129   2HB   ASN  21          1HB       ASN  21   6.923  -6.199   0.176
  130   1HD2  ASN  21          1HD2      ASN  21   9.464  -6.077  -2.326
  131   2HD2  ASN  21          2HD2      ASN  21   8.639  -7.056  -3.441
  132    H    LEU  22           H        LEU  22   6.079  -2.043  -0.623
  133    HA   LEU  22           HA       LEU  22   3.594  -3.221   0.581
  134   1HB   LEU  22          2HB       LEU  22   4.875  -0.475   0.768
  135   2HB   LEU  22          1HB       LEU  22   3.321  -0.888   1.489
  136    HG   LEU  22           HG       LEU  22   5.843  -2.445   2.093
  137   1HD1  LEU  22          1HD1      LEU  22   6.266  -0.152   2.770
  138   2HD1  LEU  22          2HD1      LEU  22   5.906  -1.101   4.212
  139   3HD1  LEU  22          3HD1      LEU  22   4.676  -0.040   3.524
  140   1HD2  LEU  22          1HD2      LEU  22   3.127  -2.165   3.416
  141   2HD2  LEU  22          2HD2      LEU  22   4.490  -3.009   4.150
  142   3HD2  LEU  22          3HD2      LEU  22   3.788  -3.607   2.647
  143    H    VAL  23           H        VAL  23   1.809  -3.149  -0.711
  144    HA   VAL  23           HA       VAL  23   1.727  -1.129  -2.937
  145    HB   VAL  23           HB       VAL  23   0.375  -3.839  -2.885
  146   1HG1  VAL  23          1HG1      VAL  23   0.973  -1.737  -4.951
  147   2HG1  VAL  23          2HG1      VAL  23  -0.552  -2.553  -4.608
  148   3HG1  VAL  23          3HG1      VAL  23   0.743  -3.417  -5.438
  149   1HG2  VAL  23          1HG2      VAL  23   2.349  -4.500  -4.407
  150   2HG2  VAL  23          2HG2      VAL  23   2.681  -4.411  -2.678
  151   3HG2  VAL  23          3HG2      VAL  23   3.180  -3.095  -3.741
  152    H    CYS  24           H        CYS  24  -0.539  -0.459  -3.500
  153    HA   CYS  24           HA       CYS  24  -2.151  -0.119  -1.040
  154   1HB   CYS  24          2HB       CYS  24  -1.962   1.103  -3.767
  155   2HB   CYS  24          1HB       CYS  24  -3.473   1.287  -2.878
  156    H    SER  25           H        SER  25  -4.082  -1.158  -0.677
  157    HA   SER  25           HA       SER  25  -4.979  -3.175  -2.678
  158   1HB   SER  25          2HB       SER  25  -4.471  -3.725  -0.272
  159   2HB   SER  25          1HB       SER  25  -5.815  -2.690   0.199
  160    HG   SER  25           HG       SER  25  -5.892  -5.220  -0.532
  161    H    ARG  26           H        ARG  26  -7.301  -3.340  -3.161
  162    HA   ARG  26           HA       ARG  26  -8.602  -0.677  -3.344
  163   1HB   ARG  26          2HB       ARG  26  -8.269  -2.448  -5.216
  164   2HB   ARG  26          1HB       ARG  26  -9.600  -3.309  -4.442
  165   1HG   ARG  26          2HG       ARG  26 -11.101  -1.464  -4.773
  166   2HG   ARG  26          1HG       ARG  26  -9.783  -0.402  -5.270
  167   1HD   ARG  26          2HD       ARG  26 -10.291  -2.940  -6.814
  168   2HD   ARG  26          1HD       ARG  26 -11.278  -1.500  -7.130
  169    HE   ARG  26           HE       ARG  26  -8.287  -1.538  -7.320
  170   1HH1  ARG  26          1HH2      ARG  26 -10.018  -1.566  -9.805
  171   2HH1  ARG  26          2HH2      ARG  26 -10.045   0.112 -10.231
  172   1HH2  ARG  26          2HH1      ARG  26  -8.908   1.190  -7.129
  173   2HH2  ARG  26          1HH1      ARG  26  -9.414   1.677  -8.712
  174    H    LYS  27           H        LYS  27  -9.389  -3.982  -2.183
  175    HA   LYS  27           HA       LYS  27 -11.925  -3.192  -0.992
  176   1HB   LYS  27          2HB       LYS  27 -10.090  -5.595  -0.839
  177   2HB   LYS  27          1HB       LYS  27 -11.590  -5.515   0.084
  178   1HG   LYS  27          2HG       LYS  27 -12.528  -4.784  -2.341
  179   2HG   LYS  27          1HG       LYS  27 -11.184  -5.808  -2.846
  180   1HD   LYS  27          2HD       LYS  27 -12.040  -7.632  -1.409
  181   2HD   LYS  27          1HD       LYS  27 -13.397  -6.610  -0.932
  182   1HE   LYS  27          2HE       LYS  27 -14.433  -7.679  -2.693
  183   2HE   LYS  27          1HE       LYS  27 -13.597  -6.440  -3.649
  184   1HZ   LYS  27          1HZ       LYS  27 -11.686  -7.932  -3.823
  185   2HZ   LYS  27          2HZ       LYS  27 -13.078  -8.642  -4.490
  186   3HZ   LYS  27          3HZ       LYS  27 -12.524  -9.127  -2.959
  187    H    HIS  28           H        HIS  28  -8.591  -3.545   0.181
  188    HA   HIS  28           HA       HIS  28  -9.396  -2.966   2.975
  189   1HB   HIS  28          2HB       HIS  28  -6.746  -3.543   1.611
  190   2HB   HIS  28          1HB       HIS  28  -6.948  -3.358   3.352
  191    HD1  HIS  28           HD1      HIS  28  -7.934  -5.628   0.489
  192    HD2  HIS  28           HD2      HIS  28  -8.034  -5.602   4.656
  193    HE1  HIS  28           HE1      HIS  28  -8.618  -7.958   1.202
  194    H    ARG  29           H        ARG  29  -8.052  -1.320   0.184
  195    HA   ARG  29           HA       ARG  29  -7.349   0.904  -0.151
  196   1HB   ARG  29          2HB       ARG  29  -9.461   0.884   1.949
  197   2HB   ARG  29          1HB       ARG  29  -8.561   2.389   1.761
  198   1HG   ARG  29          2HG       ARG  29  -9.705   2.882  -0.110
  199   2HG   ARG  29          1HG       ARG  29  -9.219   1.353  -0.842
  200   1HD   ARG  29          2HD       ARG  29 -11.084   0.245   0.504
  201   2HD   ARG  29          1HD       ARG  29 -11.654   1.882   0.886
  202    HE   ARG  29           HE       ARG  29 -11.174   1.205  -1.971
  203   1HH1  ARG  29          1HH2      ARG  29 -13.654  -0.145  -1.125
  204   2HH1  ARG  29          2HH2      ARG  29 -14.862   1.075  -1.352
  205   1HH2  ARG  29          2HH1      ARG  29 -12.574   3.686  -1.505
  206   2HH2  ARG  29          1HH1      ARG  29 -14.249   3.251  -1.567
  207    H    TRP  30           H        TRP  30  -5.467  -0.658   1.252
  208    HA   TRP  30           HA       TRP  30  -4.101   1.444   2.830
  209   1HB   TRP  30          2HB       TRP  30  -3.919   0.105   4.799
  210   2HB   TRP  30          1HB       TRP  30  -5.604  -0.005   4.313
  211    HD1  TRP  30           HD1      TRP  30  -4.518  -2.161   1.856
  212    HE1  TRP  30           HE1      TRP  30  -4.294  -4.616   2.594
  213    HE3  TRP  30           HE3      TRP  30  -4.397  -1.549   6.923
  214    HZ2  TRP  30           HZ2      TRP  30  -4.094  -6.126   5.012
  215    HZ3  TRP  30           HZ3      TRP  30  -4.192  -3.513   8.419
  216    HH2  TRP  30           HH2      TRP  30  -4.039  -5.799   7.471
  217    H    CYS  31           H        CYS  31  -1.879   0.208   3.663
  218    HA   CYS  31           HA       CYS  31  -0.593  -0.668   1.149
  219   1HB   CYS  31          2HB       CYS  31   0.365   0.027   3.940
  220   2HB   CYS  31          1HB       CYS  31   1.457  -0.506   2.664
  221    H    LYS  32           H        LYS  32  -0.347  -2.813   0.686
  222    HA   LYS  32           HA       LYS  32  -0.470  -4.790   2.943
  223   1HB   LYS  32          2HB       LYS  32  -2.252  -4.526   0.975
  224   2HB   LYS  32          1HB       LYS  32  -1.066  -5.485   0.089
  225   1HG   LYS  32          2HG       LYS  32  -1.231  -6.784   2.539
  226   2HG   LYS  32          1HG       LYS  32  -2.898  -6.303   2.219
  227   1HD   LYS  32          2HD       LYS  32  -2.824  -7.370   0.022
  228   2HD   LYS  32          1HD       LYS  32  -1.124  -7.779   0.251
  229   1HE   LYS  32          2HE       LYS  32  -2.126  -9.782   0.913
  230   2HE   LYS  32          1HE       LYS  32  -2.072  -8.936   2.471
  231   1HZ   LYS  32          1HZ       LYS  32  -4.340  -8.851   0.547
  232   2HZ   LYS  32          2HZ       LYS  32  -4.279  -8.061   2.051
  233   3HZ   LYS  32          3HZ       LYS  32  -4.311  -9.758   1.980
  234    H    TYR  33           H        TYR  33   0.924  -6.691   2.689
  235    HA   TYR  33           HA       TYR  33   3.500  -6.038   1.409
  236   1HB   TYR  33          2HB       TYR  33   2.597  -7.439   3.675
  237   2HB   TYR  33          1HB       TYR  33   3.257  -8.679   2.608
  238    HD1  TYR  33           HD1      TYR  33   4.012  -5.554   4.444
  239    HD2  TYR  33           HD2      TYR  33   5.613  -8.756   2.068
  240    HE1  TYR  33           HE1      TYR  33   6.312  -4.856   5.052
  241    HE2  TYR  33           HE2      TYR  33   7.913  -8.058   2.678
  242    HH   TYR  33           HH       TYR  33   8.855  -5.415   3.568
  243    H    GLU  34           H        GLU  34   4.130  -6.849  -0.550
  244    HA   GLU  34           HA       GLU  34   2.327  -8.732  -1.967
  245   1HB   GLU  34          2HB       GLU  34   3.842  -6.472  -2.627
  246   2HB   GLU  34          1HB       GLU  34   4.721  -7.812  -3.363
  247   1HG   GLU  34          2HG       GLU  34   1.736  -7.432  -3.680
  248   2HG   GLU  34          1HG       GLU  34   2.915  -6.780  -4.818
  249    H    ILE  35           H        ILE  35   3.089 -10.722  -2.852
  250    HA   ILE  35           HA       ILE  35   5.284 -11.993  -1.340
  251    HB   ILE  35           HB       ILE  35   3.327 -12.992  -3.442
  252   1HG1  ILE  35          1HG1      ILE  35   2.831 -14.142  -0.916
  253   2HG1  ILE  35          2HG1      ILE  35   3.102 -12.428  -0.601
  254   1HG2  ILE  35          1HG2      ILE  35   5.379 -14.395  -1.723
  255   2HG2  ILE  35          2HG2      ILE  35   3.981 -15.246  -2.380
  256   3HG2  ILE  35          3HG2      ILE  35   5.157 -14.508  -3.468
  257   1HD1  ILE  35          1HD1      ILE  35   1.258 -13.397  -2.794
  258   2HD1  ILE  35          2HD1      ILE  35   0.696 -13.097  -1.149
  259   3HD1  ILE  35          3HD1      ILE  35   1.367 -11.776  -2.106
  260   1HN   NH2  36          1HN       NH2  36   7.520 -10.749  -3.709
  261   2HN   NH2  36          2HN       NH2  36   6.626 -10.435  -2.205
  Start of MODEL    8
    1   1H    GLU   1          1H        GLU   1   5.034  10.193   2.999
    2   2H    GLU   1          2H        GLU   1   5.336  11.409   1.852
    3   3H    GLU   1          3H        GLU   1   6.631  10.635   2.636
    4    HA   GLU   1           HA       GLU   1   4.734   9.353   0.728
    5   1HB   GLU   1          2HB       GLU   1   7.112  10.957   0.471
    6   2HB   GLU   1          1HB       GLU   1   7.467   9.316  -0.072
    7   1HG   GLU   1          2HG       GLU   1   5.450   9.384  -1.525
    8   2HG   GLU   1          1HG       GLU   1   5.169  11.052  -1.022
    9    H    CYS   2           H        CYS   2   5.556   7.156   0.112
   10    HA   CYS   2           HA       CYS   2   6.251   4.976   0.662
   11   1HB   CYS   2          2HB       CYS   2   8.384   6.578   0.924
   12   2HB   CYS   2          1HB       CYS   2   8.233   6.085   2.609
   13    H    LEU   3           H        LEU   3   4.328   4.394   1.796
   14    HA   LEU   3           HA       LEU   3   4.126   4.937   4.700
   15   1HB   LEU   3          2HB       LEU   3   2.400   3.594   2.602
   16   2HB   LEU   3          1HB       LEU   3   1.952   3.631   4.307
   17    HG   LEU   3           HG       LEU   3   2.678   6.174   2.860
   18   1HD1  LEU   3          1HD1      LEU   3   0.829   4.836   1.664
   19   2HD1  LEU   3          2HD1      LEU   3   0.434   6.487   2.143
   20   3HD1  LEU   3          3HD1      LEU   3  -0.147   5.128   3.105
   21   1HD2  LEU   3          1HD2      LEU   3   0.777   5.613   5.157
   22   2HD2  LEU   3          2HD2      LEU   3   1.355   7.189   4.617
   23   3HD2  LEU   3          3HD2      LEU   3   2.470   6.053   5.376
   24    H    GLY   4           H        GLY   4   4.161   3.261   6.285
   25   1HA   GLY   4          2HA       GLY   4   5.889   1.005   5.701
   26   2HA   GLY   4          1HA       GLY   4   5.082   1.314   7.237
   27    H    PHE   5           H        PHE   5   4.980  -1.223   6.779
   28    HA   PHE   5           HA       PHE   5   2.912  -2.152   4.958
   29   1HB   PHE   5          2HB       PHE   5   4.689  -3.633   5.560
   30   2HB   PHE   5          1HB       PHE   5   4.464  -3.321   7.281
   31    HD1  PHE   5           HD1      PHE   5   3.284  -4.887   8.536
   32    HD2  PHE   5           HD2      PHE   5   2.504  -4.573   4.324
   33    HE1  PHE   5           HE1      PHE   5   1.707  -6.795   8.684
   34    HE2  PHE   5           HE2      PHE   5   0.930  -6.482   4.472
   35    HZ   PHE   5           HZ       PHE   5   0.531  -7.593   6.653
   36    H    GLY   6           H        GLY   6   0.735  -2.444   5.376
   37   1HA   GLY   6          2HA       GLY   6  -1.296  -2.483   6.543
   38   2HA   GLY   6          1HA       GLY   6  -0.375  -2.659   8.036
   39    H    LYS   7           H        LYS   7  -0.175  -0.017   5.659
   40    HA   LYS   7           HA       LYS   7  -0.932   1.894   7.842
   41   1HB   LYS   7          2HB       LYS   7   0.987   1.873   5.547
   42   2HB   LYS   7          1HB       LYS   7   0.275   3.424   5.990
   43   1HG   LYS   7          2HG       LYS   7   1.483   1.619   8.083
   44   2HG   LYS   7          1HG       LYS   7   2.485   2.733   7.155
   45   1HD   LYS   7          2HD       LYS   7  -0.015   3.788   8.424
   46   2HD   LYS   7          1HD       LYS   7   1.391   3.495   9.448
   47   1HE   LYS   7          2HE       LYS   7   2.713   4.833   7.636
   48   2HE   LYS   7          1HE       LYS   7   1.113   5.422   7.143
   49   1HZ   LYS   7          1HZ       LYS   7   2.209   5.505   9.908
   50   2HZ   LYS   7          2HZ       LYS   7   0.672   6.054   9.435
   51   3HZ   LYS   7          3HZ       LYS   7   2.069   6.837   8.868
   52    H    GLY   8           H        GLY   8  -2.719   3.196   7.504
   53   1HA   GLY   8          2HA       GLY   8  -4.642   2.613   5.505
   54   2HA   GLY   8          1HA       GLY   8  -4.623   4.090   6.468
   55    H    CYS   9           H        CYS   9  -4.418   2.935   3.348
   56    HA   CYS   9           HA       CYS   9  -3.220   5.510   2.398
   57   1HB   CYS   9          2HB       CYS   9  -2.039   4.128   0.649
   58   2HB   CYS   9          1HB       CYS   9  -1.485   3.813   2.291
   59    H    ASN  10           H        ASN  10  -3.604   5.539  -0.170
   60    HA   ASN  10           HA       ASN  10  -6.518   5.059  -0.560
   61   1HB   ASN  10          2HB       ASN  10  -4.415   6.684  -2.025
   62   2HB   ASN  10          1HB       ASN  10  -6.109   6.607  -2.508
   63   1HD2  ASN  10          1HD2      ASN  10  -4.106   8.661  -0.992
   64   2HD2  ASN  10          2HD2      ASN  10  -5.146   9.326   0.173
   65    HA   PRO  11           HA       PRO  11  -5.554   1.594  -3.171
   66   1HB   PRO  11          2HB       PRO  11  -8.012   1.351  -4.366
   67   2HB   PRO  11          1HB       PRO  11  -7.674   0.795  -2.715
   68   1HG   PRO  11          2HG       PRO  11  -9.009   3.294  -3.633
   69   2HG   PRO  11          1HG       PRO  11  -9.403   2.240  -2.265
   70   1HD   PRO  11          2HD       PRO  11  -8.079   4.593  -1.982
   71   2HD   PRO  11          1HD       PRO  11  -7.837   3.208  -0.894
   72    H    SER  12           H        SER  12  -7.230   4.466  -4.481
   73    HA   SER  12           HA       SER  12  -6.512   3.974  -7.256
   74   1HB   SER  12          2HB       SER  12  -8.277   5.562  -5.922
   75   2HB   SER  12          1HB       SER  12  -7.006   6.734  -6.261
   76    HG   SER  12           HG       SER  12  -8.772   5.485  -7.953
   77    H    ASN  13           H        ASN  13  -5.160   5.965  -4.623
   78    HA   ASN  13           HA       ASN  13  -2.715   6.437  -6.296
   79   1HB   ASN  13          2HB       ASN  13  -4.275   8.363  -5.544
   80   2HB   ASN  13          1HB       ASN  13  -3.656   8.061  -3.921
   81   1HD2  ASN  13          1HD2      ASN  13  -2.942   9.566  -6.967
   82   2HD2  ASN  13          2HD2      ASN  13  -1.363  10.063  -6.589
   83    H    ASP  14           H        ASP  14  -2.222   4.163  -5.375
   84    HA   ASP  14           HA       ASP  14  -1.772   3.660  -2.617
   85   1HB   ASP  14          2HB       ASP  14  -0.413   1.806  -3.448
   86   2HB   ASP  14          1HB       ASP  14  -1.817   2.003  -4.492
   87    H    GLN  15           H        GLN  15  -0.176   4.297  -1.222
   88    HA   GLN  15           HA       GLN  15   2.242   5.674  -2.353
   89   1HB   GLN  15          2HB       GLN  15   0.134   6.516  -0.464
   90   2HB   GLN  15          1HB       GLN  15   1.774   6.852   0.091
   91   1HG   GLN  15          2HG       GLN  15   2.126   7.775  -2.337
   92   2HG   GLN  15          1HG       GLN  15   0.364   7.872  -2.361
   93   1HE2  GLN  15          1HE2      GLN  15  -0.669   9.231  -0.625
   94   2HE2  GLN  15          2HE2      GLN  15   0.218  10.499   0.073
   95    H    CYS  16           H        CYS  16   1.872   2.846  -1.395
   96    HA   CYS  16           HA       CYS  16   3.133   2.653   1.236
   97   1HB   CYS  16          2HB       CYS  16   2.642   0.644  -0.988
   98   2HB   CYS  16          1HB       CYS  16   3.108   0.235   0.663
   99    H    CYS  17           H        CYS  17   5.243   1.376   1.454
  100    HA   CYS  17           HA       CYS  17   7.327   2.652  -0.146
  101   1HB   CYS  17          2HB       CYS  17   7.161   0.693   2.136
  102   2HB   CYS  17          1HB       CYS  17   8.707   0.977   1.337
  103    H    LYS  18           H        LYS  18   8.191   1.853  -2.003
  104    HA   LYS  18           HA       LYS  18   7.300  -0.651  -3.172
  105   1HB   LYS  18          2HB       LYS  18   7.980   1.536  -4.308
  106   2HB   LYS  18          1HB       LYS  18   9.651   1.086  -3.971
  107   1HG   LYS  18          2HG       LYS  18   9.342  -1.018  -5.226
  108   2HG   LYS  18          1HG       LYS  18   7.671  -0.567  -5.568
  109   1HD   LYS  18          2HD       LYS  18   8.334   1.278  -6.920
  110   2HD   LYS  18          1HD       LYS  18   9.997   1.205  -6.334
  111   1HE   LYS  18          2HE       LYS  18   9.963  -1.226  -7.356
  112   2HE   LYS  18          1HE       LYS  18   8.616  -0.586  -8.319
  113   1HZ   LYS  18          1HZ       LYS  18  10.005   1.309  -8.926
  114   2HZ   LYS  18          2HZ       LYS  18  10.726  -0.149  -9.415
  115   3HZ   LYS  18          3HZ       LYS  18  11.301   0.664  -8.040
  116    H    SER  19           H        SER  19  10.194   0.375  -1.390
  117    HA   SER  19           HA       SER  19  11.933  -1.798  -1.995
  118   1HB   SER  19          2HB       SER  19  12.329   0.418  -0.743
  119   2HB   SER  19          1HB       SER  19  11.693  -0.404   0.680
  120    HG   SER  19           HG       SER  19  14.114  -0.647  -0.568
  121    H    SER  20           H        SER  20   9.310  -1.521   0.406
  122    HA   SER  20           HA       SER  20   9.883  -4.239   1.459
  123   1HB   SER  20          2HB       SER  20   9.291  -2.188   2.846
  124   2HB   SER  20          1HB       SER  20   7.671  -2.291   2.164
  125    HG   SER  20           HG       SER  20   7.274  -3.969   3.388
  126    H    ASN  21           H        ASN  21   8.559  -3.405  -1.337
  127    HA   ASN  21           HA       ASN  21   6.857  -4.241  -2.736
  128   1HB   ASN  21          2HB       ASN  21   7.653  -6.440  -0.844
  129   2HB   ASN  21          1HB       ASN  21   6.356  -6.730  -2.003
  130   1HD2  ASN  21          1HD2      ASN  21   6.906  -6.535  -4.337
  131   2HD2  ASN  21          2HD2      ASN  21   8.519  -6.679  -4.844
  132    H    LEU  22           H        LEU  22   5.640  -2.481  -1.190
  133    HA   LEU  22           HA       LEU  22   3.323  -3.866   0.114
  134   1HB   LEU  22          2HB       LEU  22   4.610  -1.144   0.471
  135   2HB   LEU  22          1HB       LEU  22   3.101  -1.609   1.257
  136    HG   LEU  22           HG       LEU  22   5.705  -3.138   1.533
  137   1HD1  LEU  22          1HD1      LEU  22   4.368  -1.139   3.381
  138   2HD1  LEU  22          2HD1      LEU  22   5.927  -0.948   2.579
  139   3HD1  LEU  22          3HD1      LEU  22   5.726  -2.168   3.837
  140   1HD2  LEU  22          1HD2      LEU  22   4.433  -4.123   3.501
  141   2HD2  LEU  22          2HD2      LEU  22   3.811  -4.575   1.914
  142   3HD2  LEU  22          3HD2      LEU  22   2.988  -3.336   2.863
  143    H    VAL  23           H        VAL  23   1.282  -3.480  -0.694
  144    HA   VAL  23           HA       VAL  23   0.958  -1.336  -2.767
  145    HB   VAL  23           HB       VAL  23  -0.536  -3.045  -3.940
  146   1HG1  VAL  23          1HG1      VAL  23   2.387  -3.787  -3.633
  147   2HG1  VAL  23          2HG1      VAL  23   1.778  -2.501  -4.675
  148   3HG1  VAL  23          3HG1      VAL  23   1.349  -4.180  -5.003
  149   1HG2  VAL  23          1HG2      VAL  23  -0.725  -4.525  -1.886
  150   2HG2  VAL  23          2HG2      VAL  23   0.944  -5.015  -2.171
  151   3HG2  VAL  23          3HG2      VAL  23  -0.298  -5.377  -3.369
  152    H    CYS  24           H        CYS  24  -0.907  -0.123  -2.492
  153    HA   CYS  24           HA       CYS  24  -2.454  -0.422  -0.066
  154   1HB   CYS  24          2HB       CYS  24  -1.849   1.661  -1.515
  155   2HB   CYS  24          1HB       CYS  24  -3.264   1.210  -2.469
  156    H    SER  25           H        SER  25  -4.096  -1.845   0.227
  157    HA   SER  25           HA       SER  25  -5.265  -3.391  -1.935
  158   1HB   SER  25          2HB       SER  25  -4.871  -4.126   0.436
  159   2HB   SER  25          1HB       SER  25  -6.142  -3.022   0.950
  160    HG   SER  25           HG       SER  25  -6.294  -5.448  -0.385
  161    H    ARG  26           H        ARG  26  -7.666  -3.465  -2.303
  162    HA   ARG  26           HA       ARG  26  -8.781  -0.715  -2.508
  163   1HB   ARG  26          2HB       ARG  26  -9.070  -3.347  -3.853
  164   2HB   ARG  26          1HB       ARG  26 -10.546  -2.388  -3.749
  165   1HG   ARG  26          2HG       ARG  26  -8.678  -0.500  -4.495
  166   2HG   ARG  26          1HG       ARG  26  -8.130  -1.933  -5.364
  167   1HD   ARG  26          2HD       ARG  26  -9.688  -0.989  -6.866
  168   2HD   ARG  26          1HD       ARG  26 -10.678  -2.182  -6.002
  169    HE   ARG  26           HE       ARG  26 -11.221  -0.200  -4.413
  170   1HH1  ARG  26          2HH1      ARG  26 -12.820  -0.246  -6.974
  171   2HH1  ARG  26          1HH1      ARG  26 -12.640   1.383  -7.532
  172   1HH2  ARG  26          1HH2      ARG  26  -9.935   2.073  -5.462
  173   2HH2  ARG  26          2HH2      ARG  26 -11.001   2.701  -6.674
  174    H    LYS  27           H        LYS  27  -9.559  -3.903  -1.106
  175    HA   LYS  27           HA       LYS  27 -12.091  -2.980   0.058
  176   1HB   LYS  27          2HB       LYS  27 -11.446  -5.327  -0.756
  177   2HB   LYS  27          1HB       LYS  27 -10.481  -5.462   0.713
  178   1HG   LYS  27          2HG       LYS  27 -13.140  -4.465   1.320
  179   2HG   LYS  27          1HG       LYS  27 -13.229  -5.998   0.454
  180   1HD   LYS  27          2HD       LYS  27 -12.492  -7.148   2.248
  181   2HD   LYS  27          1HD       LYS  27 -11.132  -6.048   2.471
  182   1HE   LYS  27          2HE       LYS  27 -12.348  -5.684   4.447
  183   2HE   LYS  27          1HE       LYS  27 -13.012  -4.416   3.399
  184   1HZ   LYS  27          1HZ       LYS  27 -14.134  -7.156   3.695
  185   2HZ   LYS  27          2HZ       LYS  27 -14.771  -5.914   2.724
  186   3HZ   LYS  27          3HZ       LYS  27 -14.774  -5.761   4.415
  187    H    HIS  28           H        HIS  28  -8.800  -3.720   1.259
  188    HA   HIS  28           HA       HIS  28  -9.521  -2.827   3.993
  189   1HB   HIS  28          2HB       HIS  28  -7.055  -3.995   2.673
  190   2HB   HIS  28          1HB       HIS  28  -7.092  -3.515   4.370
  191    HD1  HIS  28           HD1      HIS  28  -9.585  -4.558   5.494
  192    HD2  HIS  28           HD2      HIS  28  -7.554  -6.697   2.548
  193    HE1  HIS  28           HE1      HIS  28 -10.371  -6.957   5.682
  194    H    ARG  29           H        ARG  29  -8.035  -1.543   1.110
  195    HA   ARG  29           HA       ARG  29  -6.969   0.509   0.656
  196   1HB   ARG  29          2HB       ARG  29  -8.775   1.102   3.013
  197   2HB   ARG  29          1HB       ARG  29  -7.920   2.368   2.133
  198   1HG   ARG  29          2HG       ARG  29  -9.457   2.330   0.491
  199   2HG   ARG  29          1HG       ARG  29  -9.215   0.599   0.259
  200   1HD   ARG  29          2HD       ARG  29 -11.242   0.209   1.186
  201   2HD   ARG  29          1HD       ARG  29 -10.686   0.957   2.695
  202    HE   ARG  29           HE       ARG  29 -12.314   2.260   0.653
  203   1HH1  ARG  29          1HH2      ARG  29 -12.101   2.658   3.746
  204   2HH1  ARG  29          2HH2      ARG  29 -11.567   4.305   3.798
  205   1HH2  ARG  29          2HH1      ARG  29 -10.694   4.405   0.435
  206   2HH2  ARG  29          1HH1      ARG  29 -10.769   5.297   1.917
  207    H    TRP  30           H        TRP  30  -5.265  -1.205   2.032
  208    HA   TRP  30           HA       TRP  30  -3.686   0.733   3.641
  209   1HB   TRP  30          2HB       TRP  30  -3.595  -0.667   5.534
  210   2HB   TRP  30          1HB       TRP  30  -5.268  -0.801   5.015
  211    HD1  TRP  30           HD1      TRP  30  -4.543  -2.869   2.548
  212    HE1  TRP  30           HE1      TRP  30  -4.083  -5.325   3.167
  213    HE3  TRP  30           HE3      TRP  30  -3.443  -2.339   7.503
  214    HZ2  TRP  30           HZ2      TRP  30  -3.355  -6.867   5.460
  215    HZ3  TRP  30           HZ3      TRP  30  -2.875  -4.317   8.882
  216    HH2  TRP  30           HH2      TRP  30  -2.830  -6.578   7.868
  217    H    CYS  31           H        CYS  31  -1.399  -0.135   3.994
  218    HA   CYS  31           HA       CYS  31  -0.329  -1.088   1.470
  219   1HB   CYS  31          2HB       CYS  31   0.827  -0.561   4.219
  220   2HB   CYS  31          1HB       CYS  31   1.820  -1.032   2.842
  221    H    LYS  32           H        LYS  32  -0.835  -3.206   0.962
  222    HA   LYS  32           HA       LYS  32  -0.397  -5.318   3.035
  223   1HB   LYS  32          2HB       LYS  32  -2.555  -4.904   1.569
  224   2HB   LYS  32          1HB       LYS  32  -1.628  -5.744   0.324
  225   1HG   LYS  32          2HG       LYS  32  -1.470  -7.097   2.907
  226   2HG   LYS  32          1HG       LYS  32  -3.131  -6.952   2.335
  227   1HD   LYS  32          2HD       LYS  32  -2.762  -8.278   0.487
  228   2HD   LYS  32          1HD       LYS  32  -1.071  -7.794   0.348
  229   1HE   LYS  32          2HE       LYS  32  -0.734  -9.099   2.580
  230   2HE   LYS  32          1HE       LYS  32  -2.287  -9.861   2.182
  231   1HZ   LYS  32          1HZ       LYS  32   0.069  -9.692   0.374
  232   2HZ   LYS  32          2HZ       LYS  32  -1.422 -10.412  -0.006
  233   3HZ   LYS  32          3HZ       LYS  32  -0.434 -11.084   1.202
  234    H    TYR  33           H        TYR  33   0.686  -7.345   2.209
  235    HA   TYR  33           HA       TYR  33   3.162  -6.711   0.822
  236   1HB   TYR  33          2HB       TYR  33   2.084  -8.735   2.500
  237   2HB   TYR  33          1HB       TYR  33   2.614  -9.537   1.020
  238    HD1  TYR  33           HD1      TYR  33   4.928  -9.787   0.506
  239    HD2  TYR  33           HD2      TYR  33   3.700  -7.258   3.754
  240    HE1  TYR  33           HE1      TYR  33   7.287  -9.587   1.242
  241    HE2  TYR  33           HE2      TYR  33   6.058  -7.058   4.491
  242    HH   TYR  33           HH       TYR  33   8.319  -8.912   3.942
  243    H    GLU  34           H        GLU  34   3.507  -6.775  -1.355
  244    HA   GLU  34           HA       GLU  34   1.382  -7.566  -3.198
  245   1HB   GLU  34          2HB       GLU  34   3.016  -5.664  -3.483
  246   2HB   GLU  34          1HB       GLU  34   4.293  -6.859  -3.712
  247   1HG   GLU  34          2HG       GLU  34   1.929  -7.339  -5.396
  248   2HG   GLU  34          1HG       GLU  34   2.730  -5.804  -5.732
  249    H    ILE  35           H        ILE  35   1.052  -9.660  -3.818
  250    HA   ILE  35           HA       ILE  35   3.256 -11.645  -3.512
  251    HB   ILE  35           HB       ILE  35   0.260 -11.833  -3.969
  252   1HG1  ILE  35          1HG1      ILE  35   1.868 -12.791  -1.596
  253   2HG1  ILE  35          2HG1      ILE  35   1.267 -11.136  -1.691
  254   1HG2  ILE  35          1HG2      ILE  35   2.385 -13.977  -3.780
  255   2HG2  ILE  35          2HG2      ILE  35   0.686 -14.305  -3.442
  256   3HG2  ILE  35          3HG2      ILE  35   1.177 -13.756  -5.045
  257   1HD1  ILE  35          1HD1      ILE  35  -1.038 -12.037  -2.033
  258   2HD1  ILE  35          2HD1      ILE  35  -0.402 -13.665  -1.800
  259   3HD1  ILE  35          3HD1      ILE  35  -0.349 -12.500  -0.477
  260   1HN   NH2  36          1HN       NH2  36   0.783 -11.673  -6.278
  261   2HN   NH2  36          2HN       NH2  36   1.918 -12.759  -6.879
  Start of MODEL    9
    1   1H    GLU   1          1H        GLU   1   9.689   8.383  -0.600
    2   2H    GLU   1          2H        GLU   1   9.097   9.328   0.680
    3   3H    GLU   1          3H        GLU   1   9.195   9.982  -0.884
    4    HA   GLU   1           HA       GLU   1   6.912   9.152   0.023
    5   1HB   GLU   1          2HB       GLU   1   6.381   8.568  -2.380
    6   2HB   GLU   1          1HB       GLU   1   7.280  10.070  -2.189
    7   1HG   GLU   1          2HG       GLU   1   9.386   8.505  -2.495
    8   2HG   GLU   1          1HG       GLU   1   8.220   7.422  -3.252
    9    H    CYS   2           H        CYS   2   7.260   7.367   1.572
   10    HA   CYS   2           HA       CYS   2   6.844   4.716   0.296
   11   1HB   CYS   2          2HB       CYS   2   9.300   5.682   1.549
   12   2HB   CYS   2          1HB       CYS   2   8.701   4.222   2.333
   13    H    LEU   3           H        LEU   3   4.816   4.391   1.265
   14    HA   LEU   3           HA       LEU   3   4.326   5.100   4.075
   15   1HB   LEU   3          2HB       LEU   3   2.797   3.786   1.829
   16   2HB   LEU   3          1HB       LEU   3   2.144   3.796   3.466
   17    HG   LEU   3           HG       LEU   3   3.105   6.321   2.113
   18   1HD1  LEU   3          1HD1      LEU   3   0.750   6.763   1.528
   19   2HD1  LEU   3          2HD1      LEU   3   0.296   5.174   2.143
   20   3HD1  LEU   3          3HD1      LEU   3   1.331   5.306   0.722
   21   1HD2  LEU   3          1HD2      LEU   3   2.562   5.903   4.708
   22   2HD2  LEU   3          2HD2      LEU   3   0.916   6.186   4.143
   23   3HD2  LEU   3          3HD2      LEU   3   2.152   7.420   3.908
   24    H    GLY   4           H        GLY   4   4.009   3.582   5.786
   25   1HA   GLY   4          2HA       GLY   4   5.614   1.155   5.593
   26   2HA   GLY   4          1HA       GLY   4   4.745   1.710   7.023
   27    H    PHE   5           H        PHE   5   4.369  -0.784   6.963
   28    HA   PHE   5           HA       PHE   5   2.314  -1.726   5.086
   29   1HB   PHE   5          2HB       PHE   5   3.937  -3.315   5.777
   30   2HB   PHE   5          1HB       PHE   5   3.812  -2.833   7.468
   31    HD1  PHE   5           HD1      PHE   5   1.911  -4.442   4.681
   32    HD2  PHE   5           HD2      PHE   5   2.282  -3.892   8.925
   33    HE1  PHE   5           HE1      PHE   5   0.186  -6.182   5.059
   34    HE2  PHE   5           HE2      PHE   5   0.557  -5.632   9.301
   35    HZ   PHE   5           HZ       PHE   5  -0.491  -6.776   7.367
   36    H    GLY   6           H        GLY   6   0.129  -2.010   5.562
   37   1HA   GLY   6          2HA       GLY   6  -1.916  -1.736   6.661
   38   2HA   GLY   6          1HA       GLY   6  -1.033  -1.921   8.176
   39    H    LYS   7           H        LYS   7  -0.796   0.570   5.628
   40    HA   LYS   7           HA       LYS   7  -1.357   2.644   7.726
   41   1HB   LYS   7          2HB       LYS   7   0.980   2.454   6.744
   42   2HB   LYS   7          1HB       LYS   7   0.284   2.890   5.184
   43   1HG   LYS   7          2HG       LYS   7   0.121   5.077   5.746
   44   2HG   LYS   7          1HG       LYS   7  -0.537   4.701   7.339
   45   1HD   LYS   7          2HD       LYS   7   1.704   4.223   8.192
   46   2HD   LYS   7          1HD       LYS   7   2.395   4.496   6.592
   47   1HE   LYS   7          2HE       LYS   7   1.692   6.844   6.644
   48   2HE   LYS   7          1HE       LYS   7   0.897   6.591   8.210
   49   1HZ   LYS   7          1HZ       LYS   7   3.782   6.118   7.656
   50   2HZ   LYS   7          2HZ       LYS   7   3.006   5.913   9.154
   51   3HZ   LYS   7          3HZ       LYS   7   3.157   7.464   8.477
   52    H    GLY   8           H        GLY   8  -2.764   4.366   7.109
   53   1HA   GLY   8          2HA       GLY   8  -4.857   3.783   5.271
   54   2HA   GLY   8          1HA       GLY   8  -4.529   5.384   5.940
   55    H    CYS   9           H        CYS   9  -4.400   3.465   3.127
   56    HA   CYS   9           HA       CYS   9  -2.908   5.636   1.690
   57   1HB   CYS   9          2HB       CYS   9  -1.502   3.639   2.117
   58   2HB   CYS   9          1HB       CYS   9  -2.707   2.629   1.319
   59    H    ASN  10           H        ASN  10  -3.591   5.947  -0.513
   60    HA   ASN  10           HA       ASN  10  -6.390   5.136  -1.032
   61   1HB   ASN  10          2HB       ASN  10  -5.070   7.455  -1.328
   62   2HB   ASN  10          1HB       ASN  10  -4.749   6.773  -2.922
   63   1HD2  ASN  10          1HD2      ASN  10  -6.366   7.141  -4.453
   64   2HD2  ASN  10          2HD2      ASN  10  -7.980   7.517  -4.090
   65    HA   PRO  11           HA       PRO  11  -5.096   1.857  -3.727
   66   1HB   PRO  11          2HB       PRO  11  -7.484   1.451  -5.003
   67   2HB   PRO  11          1HB       PRO  11  -7.161   0.902  -3.347
   68   1HG   PRO  11          2HG       PRO  11  -8.658   3.294  -4.290
   69   2HG   PRO  11          1HG       PRO  11  -9.004   2.207  -2.936
   70   1HD   PRO  11          2HD       PRO  11  -7.869   4.667  -2.637
   71   2HD   PRO  11          1HD       PRO  11  -7.593   3.315  -1.516
   72    H    SER  12           H        SER  12  -6.418   4.897  -4.863
   73    HA   SER  12           HA       SER  12  -5.893   4.335  -7.709
   74   1HB   SER  12          2HB       SER  12  -7.725   5.818  -6.556
   75   2HB   SER  12          1HB       SER  12  -6.451   7.033  -6.489
   76    HG   SER  12           HG       SER  12  -6.781   7.367  -8.527
   77    H    ASN  13           H        ASN  13  -4.440   6.299  -5.095
   78    HA   ASN  13           HA       ASN  13  -2.301   7.287  -6.857
   79   1HB   ASN  13          2HB       ASN  13  -3.466   7.853  -4.259
   80   2HB   ASN  13          1HB       ASN  13  -1.708   7.794  -4.149
   81   1HD2  ASN  13          1HD2      ASN  13  -0.569   9.068  -6.056
   82   2HD2  ASN  13          2HD2      ASN  13  -1.273  10.555  -6.471
   83    H    ASP  14           H        ASP  14  -2.542   5.086  -4.056
   84    HA   ASP  14           HA       ASP  14  -1.097   3.397  -3.277
   85   1HB   ASP  14          2HB       ASP  14  -1.198   3.367  -6.189
   86   2HB   ASP  14          1HB       ASP  14   0.329   2.713  -5.596
   87    H    GLN  15           H        GLN  15   0.201   4.873  -1.982
   88    HA   GLN  15           HA       GLN  15   2.839   5.621  -3.207
   89   1HB   GLN  15          2HB       GLN  15   0.860   6.964  -1.492
   90   2HB   GLN  15          1HB       GLN  15   2.513   7.111  -0.896
   91   1HG   GLN  15          2HG       GLN  15   3.167   8.421  -2.643
   92   2HG   GLN  15          1HG       GLN  15   2.197   7.519  -3.809
   93   1HE2  GLN  15          1HE2      GLN  15   1.805   9.873  -1.099
   94   2HE2  GLN  15          2HE2      GLN  15   0.437  10.629  -1.762
   95    H    CYS  16           H        CYS  16   2.340   2.972  -2.127
   96    HA   CYS  16           HA       CYS  16   3.508   2.918   0.582
   97   1HB   CYS  16          2HB       CYS  16   1.748   1.348  -0.792
   98   2HB   CYS  16          1HB       CYS  16   3.242   0.439  -1.019
   99    H    CYS  17           H        CYS  17   5.431   1.383   0.923
  100    HA   CYS  17           HA       CYS  17   7.602   2.186  -0.895
  101   1HB   CYS  17          2HB       CYS  17   7.395   1.855   1.778
  102   2HB   CYS  17          1HB       CYS  17   8.016   0.263   1.342
  103    H    LYS  18           H        LYS  18   8.470   0.897  -2.460
  104    HA   LYS  18           HA       LYS  18   7.288  -1.725  -3.032
  105   1HB   LYS  18          2HB       LYS  18   8.697  -1.573  -5.033
  106   2HB   LYS  18          1HB       LYS  18   7.909  -0.023  -4.750
  107   1HG   LYS  18          2HG       LYS  18  10.008   0.833  -4.964
  108   2HG   LYS  18          1HG       LYS  18  10.218   0.283  -3.303
  109   1HD   LYS  18          2HD       LYS  18  12.023  -0.784  -4.256
  110   2HD   LYS  18          1HD       LYS  18  10.797  -2.017  -4.547
  111   1HE   LYS  18          2HE       LYS  18  10.710  -0.062  -6.678
  112   2HE   LYS  18          1HE       LYS  18  12.359  -0.693  -6.501
  113   1HZ   LYS  18          1HZ       LYS  18  11.026  -2.159  -7.892
  114   2HZ   LYS  18          2HZ       LYS  18   9.880  -2.332  -6.651
  115   3HZ   LYS  18          3HZ       LYS  18  11.454  -2.940  -6.449
  116    H    SER  19           H        SER  19  10.174  -0.544  -1.427
  117    HA   SER  19           HA       SER  19  11.839  -2.871  -1.691
  118   1HB   SER  19          2HB       SER  19  13.017  -1.822   0.231
  119   2HB   SER  19          1HB       SER  19  12.613  -0.637  -1.006
  120    HG   SER  19           HG       SER  19  11.887  -0.699   1.564
  121    H    SER  20           H        SER  20   9.280  -1.992   0.622
  122    HA   SER  20           HA       SER  20   9.744  -4.461   2.205
  123   1HB   SER  20          2HB       SER  20   9.237  -2.116   3.111
  124   2HB   SER  20          1HB       SER  20   7.596  -2.348   2.518
  125    HG   SER  20           HG       SER  20   7.268  -3.882   3.991
  126    H    ASN  21           H        ASN  21   8.366  -4.055  -0.699
  127    HA   ASN  21           HA       ASN  21   6.639  -5.108  -1.901
  128   1HB   ASN  21          2HB       ASN  21   6.978  -7.016   0.441
  129   2HB   ASN  21          1HB       ASN  21   6.189  -7.415  -1.085
  130   1HD2  ASN  21          1HD2      ASN  21   7.609  -7.243  -3.096
  131   2HD2  ASN  21          2HD2      ASN  21   9.273  -7.534  -2.933
  132    H    LEU  22           H        LEU  22   5.352  -3.118  -1.004
  133    HA   LEU  22           HA       LEU  22   2.970  -4.150   0.500
  134   1HB   LEU  22          2HB       LEU  22   4.459  -1.520   0.788
  135   2HB   LEU  22          1HB       LEU  22   2.927  -1.882   1.583
  136    HG   LEU  22           HG       LEU  22   5.451  -3.523   1.921
  137   1HD1  LEU  22          1HD1      LEU  22   5.538  -2.478   4.179
  138   2HD1  LEU  22          2HD1      LEU  22   4.201  -1.424   3.718
  139   3HD1  LEU  22          3HD1      LEU  22   5.752  -1.295   2.888
  140   1HD2  LEU  22          1HD2      LEU  22   2.703  -3.568   3.184
  141   2HD2  LEU  22          2HD2      LEU  22   4.096  -4.335   3.945
  142   3HD2  LEU  22          3HD2      LEU  22   3.540  -4.886   2.365
  143    H    VAL  23           H        VAL  23   0.996  -3.522  -0.371
  144    HA   VAL  23           HA       VAL  23   1.014  -1.458  -2.544
  145    HB   VAL  23           HB       VAL  23  -0.558  -2.989  -3.782
  146   1HG1  VAL  23          1HG1      VAL  23   2.117  -4.264  -3.159
  147   2HG1  VAL  23          2HG1      VAL  23   1.916  -2.873  -4.222
  148   3HG1  VAL  23          3HG1      VAL  23   1.184  -4.421  -4.647
  149   1HG2  VAL  23          1HG2      VAL  23  -0.573  -5.384  -3.088
  150   2HG2  VAL  23          2HG2      VAL  23  -1.342  -4.338  -1.895
  151   3HG2  VAL  23          3HG2      VAL  23   0.291  -4.941  -1.616
  152    H    CYS  24           H        CYS  24  -0.819  -0.134  -2.573
  153    HA   CYS  24           HA       CYS  24  -2.524  -0.163  -0.184
  154   1HB   CYS  24          2HB       CYS  24  -2.539   1.578  -2.673
  155   2HB   CYS  24          1HB       CYS  24  -3.339   1.952  -1.147
  156    H    SER  25           H        SER  25  -4.199  -1.609  -0.152
  157    HA   SER  25           HA       SER  25  -5.467  -2.615  -2.590
  158   1HB   SER  25          2HB       SER  25  -5.008  -3.851  -0.409
  159   2HB   SER  25          1HB       SER  25  -6.318  -2.914   0.304
  160    HG   SER  25           HG       SER  25  -7.201  -4.795  -0.456
  161    H    ARG  26           H        ARG  26  -7.888  -2.518  -2.835
  162    HA   ARG  26           HA       ARG  26  -8.870   0.251  -2.388
  163   1HB   ARG  26          2HB       ARG  26  -8.932  -0.892  -4.621
  164   2HB   ARG  26          1HB       ARG  26 -10.029  -2.093  -3.937
  165   1HG   ARG  26          2HG       ARG  26 -11.732  -0.722  -4.482
  166   2HG   ARG  26          1HG       ARG  26 -11.152   0.379  -3.233
  167   1HD   ARG  26          2HD       ARG  26 -11.088   1.795  -5.086
  168   2HD   ARG  26          1HD       ARG  26  -9.457   1.104  -5.180
  169    HE   ARG  26           HE       ARG  26 -11.177  -0.686  -6.537
  170   1HH1  ARG  26          1HH2      ARG  26  -8.773   0.481  -7.835
  171   2HH1  ARG  26          2HH2      ARG  26  -9.457   1.463  -9.087
  172   1HH2  ARG  26          2HH1      ARG  26 -12.641   1.490  -7.693
  173   2HH2  ARG  26          1HH1      ARG  26 -11.652   2.036  -9.006
  174    H    LYS  27           H        LYS  27  -9.970  -3.123  -1.857
  175    HA   LYS  27           HA       LYS  27 -12.366  -2.546  -0.432
  176   1HB   LYS  27          2HB       LYS  27 -11.068  -4.747  -1.363
  177   2HB   LYS  27          1HB       LYS  27 -10.743  -4.909   0.362
  178   1HG   LYS  27          2HG       LYS  27 -12.978  -5.177   0.903
  179   2HG   LYS  27          1HG       LYS  27 -13.533  -4.251  -0.493
  180   1HD   LYS  27          2HD       LYS  27 -12.930  -6.084  -1.994
  181   2HD   LYS  27          1HD       LYS  27 -12.273  -7.005  -0.641
  182   1HE   LYS  27          2HE       LYS  27 -14.402  -7.933  -0.723
  183   2HE   LYS  27          1HE       LYS  27 -14.745  -6.552   0.338
  184   1HZ   LYS  27          1HZ       LYS  27 -15.303  -5.229  -1.600
  185   2HZ   LYS  27          2HZ       LYS  27 -16.274  -6.621  -1.553
  186   3HZ   LYS  27          3HZ       LYS  27 -14.963  -6.534  -2.630
  187    H    HIS  28           H        HIS  28  -9.038  -3.086   0.777
  188    HA   HIS  28           HA       HIS  28  -9.865  -2.452   3.551
  189   1HB   HIS  28          2HB       HIS  28  -7.251  -3.233   2.221
  190   2HB   HIS  28          1HB       HIS  28  -7.426  -2.972   3.956
  191    HD1  HIS  28           HD1      HIS  28  -9.281  -4.560   5.162
  192    HD2  HIS  28           HD2      HIS  28  -7.993  -5.776   1.387
  193    HE1  HIS  28           HE1      HIS  28  -9.946  -6.991   4.926
  194    H    ARG  29           H        ARG  29  -8.371  -0.877   0.798
  195    HA   ARG  29           HA       ARG  29  -7.595   1.321   0.480
  196   1HB   ARG  29          2HB       ARG  29  -9.903   1.384   1.917
  197   2HB   ARG  29          1HB       ARG  29  -8.820   2.211   3.036
  198   1HG   ARG  29          2HG       ARG  29  -8.121   3.403   0.685
  199   2HG   ARG  29          1HG       ARG  29  -9.831   3.083   0.396
  200   1HD   ARG  29          2HD       ARG  29  -9.810   4.053   3.005
  201   2HD   ARG  29          1HD       ARG  29  -8.603   5.057   2.177
  202    HE   ARG  29           HE       ARG  29 -11.464   4.811   1.399
  203   1HH1  ARG  29          1HH2      ARG  29 -10.059   7.419   2.065
  204   2HH1  ARG  29          2HH2      ARG  29  -9.794   8.080   0.486
  205   1HH2  ARG  29          2HH1      ARG  29 -10.361   5.071  -1.158
  206   2HH2  ARG  29          1HH1      ARG  29  -9.965   6.747  -1.344
  207    H    TRP  30           H        TRP  30  -5.827  -0.490   1.882
  208    HA   TRP  30           HA       TRP  30  -4.157   1.507   3.289
  209   1HB   TRP  30          2HB       TRP  30  -4.120   0.355   5.347
  210   2HB   TRP  30          1HB       TRP  30  -5.807   0.258   4.865
  211    HD1  TRP  30           HD1      TRP  30  -5.163  -2.131   2.647
  212    HE1  TRP  30           HE1      TRP  30  -4.874  -4.520   3.562
  213    HE3  TRP  30           HE3      TRP  30  -4.143  -1.080   7.536
  214    HZ2  TRP  30           HZ2      TRP  30  -4.295  -5.817   6.042
  215    HZ3  TRP  30           HZ3      TRP  30  -3.731  -2.911   9.154
  216    HH2  TRP  30           HH2      TRP  30  -3.805  -5.276   8.415
  217    H    CYS  31           H        CYS  31  -1.976   0.339   3.925
  218    HA   CYS  31           HA       CYS  31  -0.981  -0.973   1.494
  219   1HB   CYS  31          2HB       CYS  31   0.104   0.195   4.024
  220   2HB   CYS  31          1HB       CYS  31   1.121  -0.953   3.156
  221    H    LYS  32           H        LYS  32  -0.599  -3.162   1.273
  222    HA   LYS  32           HA       LYS  32  -0.697  -4.884   3.722
  223   1HB   LYS  32          2HB       LYS  32  -2.227  -6.386   2.556
  224   2HB   LYS  32          1HB       LYS  32  -2.903  -4.759   2.531
  225   1HG   LYS  32          2HG       LYS  32  -3.071  -4.987   0.291
  226   2HG   LYS  32          1HG       LYS  32  -1.314  -4.858   0.238
  227   1HD   LYS  32          2HD       LYS  32  -1.563  -6.897  -0.812
  228   2HD   LYS  32          1HD       LYS  32  -1.472  -7.449   0.860
  229   1HE   LYS  32          2HE       LYS  32  -3.492  -8.434   0.527
  230   2HE   LYS  32          1HE       LYS  32  -4.186  -6.803   0.461
  231   1HZ   LYS  32          1HZ       LYS  32  -4.647  -8.000  -1.587
  232   2HZ   LYS  32          2HZ       LYS  32  -2.990  -8.280  -1.828
  233   3HZ   LYS  32          3HZ       LYS  32  -3.606  -6.697  -1.893
  234    H    TYR  33           H        TYR  33   0.278  -7.063   3.309
  235    HA   TYR  33           HA       TYR  33   2.648  -6.821   1.557
  236   1HB   TYR  33          2HB       TYR  33   2.119  -7.880   4.057
  237   2HB   TYR  33          1HB       TYR  33   2.199  -9.321   3.042
  238    HD1  TYR  33           HD1      TYR  33   4.087  -6.696   4.653
  239    HD2  TYR  33           HD2      TYR  33   4.224  -9.642   1.528
  240    HE1  TYR  33           HE1      TYR  33   6.560  -6.522   4.596
  241    HE2  TYR  33           HE2      TYR  33   6.698  -9.468   1.473
  242    HH   TYR  33           HH       TYR  33   8.400  -7.209   2.359
  243    H    GLU  34           H        GLU  34   3.013  -8.107  -0.253
  244    HA   GLU  34           HA       GLU  34   0.691  -9.353  -1.524
  245   1HB   GLU  34          2HB       GLU  34   3.619  -8.987  -2.208
  246   2HB   GLU  34          1HB       GLU  34   2.507  -9.834  -3.282
  247   1HG   GLU  34          2HG       GLU  34   2.206  -7.724  -4.134
  248   2HG   GLU  34          1HG       GLU  34   1.046  -7.611  -2.810
  249    H    ILE  35           H        ILE  35   0.094 -11.270  -0.483
  250    HA   ILE  35           HA       ILE  35   2.221 -13.319   0.012
  251    HB   ILE  35           HB       ILE  35  -0.624 -13.008   1.037
  252   1HG1  ILE  35          1HG1      ILE  35   0.944 -11.318   1.928
  253   2HG1  ILE  35          2HG1      ILE  35   0.483 -12.465   3.184
  254   1HG2  ILE  35          1HG2      ILE  35   1.511 -15.086   1.524
  255   2HG2  ILE  35          2HG2      ILE  35   0.241 -14.780   2.707
  256   3HG2  ILE  35          3HG2      ILE  35  -0.179 -15.332   1.085
  257   1HD1  ILE  35          1HD1      ILE  35   2.769 -13.535   1.860
  258   2HD1  ILE  35          2HD1      ILE  35   3.113 -11.844   2.221
  259   3HD1  ILE  35          3HD1      ILE  35   2.655 -12.947   3.519
  260   1HN   NH2  36          1HN       NH2  36  -0.162 -13.696  -3.075
  261   2HN   NH2  36          2HN       NH2  36   0.398 -12.257  -2.196
  Start of MODEL   10
    1   1H    GLU   1          1H        GLU   1   9.962   8.285   5.013
    2   2H    GLU   1          2H        GLU   1  10.798   6.813   5.149
    3   3H    GLU   1          3H        GLU   1  10.975   8.006   6.345
    4    HA   GLU   1           HA       GLU   1   9.514   6.251   7.144
    5   1HB   GLU   1          2HB       GLU   1   8.784   9.082   6.671
    6   2HB   GLU   1          1HB       GLU   1   7.443   8.045   7.161
    7   1HG   GLU   1          2HG       GLU   1   8.185   8.023   9.285
    8   2HG   GLU   1          1HG       GLU   1   9.755   7.417   8.759
    9    H    CYS   2           H        CYS   2   7.781   4.845   6.727
   10    HA   CYS   2           HA       CYS   2   6.198   5.231   4.224
   11   1HB   CYS   2          2HB       CYS   2   6.777   2.957   3.511
   12   2HB   CYS   2          1HB       CYS   2   8.251   3.894   3.749
   13    H    LEU   3           H        LEU   3   4.431   3.439   4.123
   14    HA   LEU   3           HA       LEU   3   3.193   3.215   6.824
   15   1HB   LEU   3          2HB       LEU   3   2.223   2.908   3.969
   16   2HB   LEU   3          1HB       LEU   3   1.198   2.565   5.361
   17    HG   LEU   3           HG       LEU   3   2.592   5.216   4.872
   18   1HD1  LEU   3          1HD1      LEU   3   0.717   4.540   3.247
   19   2HD1  LEU   3          2HD1      LEU   3   0.514   6.072   4.098
   20   3HD1  LEU   3          3HD1      LEU   3  -0.366   4.641   4.636
   21   1HD2  LEU   3          1HD2      LEU   3   2.218   5.064   7.190
   22   2HD2  LEU   3          2HD2      LEU   3   0.725   4.147   6.984
   23   3HD2  LEU   3          3HD2      LEU   3   0.759   5.871   6.616
   24    H    GLY   4           H        GLY   4   2.629   1.203   7.726
   25   1HA   GLY   4          2HA       GLY   4   4.149  -1.115   6.819
   26   2HA   GLY   4          1HA       GLY   4   3.061  -1.067   8.205
   27    H    PHE   5           H        PHE   5   2.245  -3.170   7.454
   28    HA   PHE   5           HA       PHE   5   0.787  -3.270   4.891
   29   1HB   PHE   5          2HB       PHE   5   2.014  -5.217   5.614
   30   2HB   PHE   5          1HB       PHE   5   1.247  -5.183   7.200
   31    HD1  PHE   5           HD1      PHE   5  -0.591  -6.566   7.582
   32    HD2  PHE   5           HD2      PHE   5   0.325  -5.370   3.558
   33    HE1  PHE   5           HE1      PHE   5  -2.420  -8.010   6.736
   34    HE2  PHE   5           HE2      PHE   5  -1.505  -6.815   2.714
   35    HZ   PHE   5           HZ       PHE   5  -2.877  -8.134   4.302
   36    H    GLY   6           H        GLY   6  -1.456  -3.236   4.682
   37   1HA   GLY   6          2HA       GLY   6  -3.706  -2.942   5.269
   38   2HA   GLY   6          1HA       GLY   6  -3.293  -3.498   6.891
   39    H    LYS   7           H        LYS   7  -2.063  -0.687   5.068
   40    HA   LYS   7           HA       LYS   7  -3.073   1.068   7.286
   41   1HB   LYS   7          2HB       LYS   7  -0.544   1.129   5.610
   42   2HB   LYS   7          1HB       LYS   7  -1.020   2.438   6.693
   43   1HG   LYS   7          2HG       LYS   7  -1.164  -0.163   8.010
   44   2HG   LYS   7          1HG       LYS   7   0.455   0.174   7.400
   45   1HD   LYS   7          2HD       LYS   7   0.819   1.750   8.975
   46   2HD   LYS   7          1HD       LYS   7  -0.737   2.520   8.662
   47   1HE   LYS   7          2HE       LYS   7  -0.929   1.749  10.904
   48   2HE   LYS   7          1HE       LYS   7  -1.745   0.486   9.964
   49   1HZ   LYS   7          1HZ       LYS   7  -0.073  -0.419  11.518
   50   2HZ   LYS   7          2HZ       LYS   7   1.138   0.446  10.697
   51   3HZ   LYS   7          3HZ       LYS   7   0.279  -0.785   9.900
   52    H    GLY   8           H        GLY   8  -4.548   2.556   6.593
   53   1HA   GLY   8          2HA       GLY   8  -5.452   2.824   3.932
   54   2HA   GLY   8          1HA       GLY   8  -5.735   4.018   5.197
   55    H    CYS   9           H        CYS   9  -4.450   3.696   2.196
   56    HA   CYS   9           HA       CYS   9  -2.671   6.071   2.583
   57   1HB   CYS   9          2HB       CYS   9  -1.111   4.914   0.926
   58   2HB   CYS   9          1HB       CYS   9  -1.195   4.174   2.523
   59    H    ASN  10           H        ASN  10  -1.985   6.765   0.157
   60    HA   ASN  10           HA       ASN  10  -4.536   7.240  -1.275
   61   1HB   ASN  10          2HB       ASN  10  -2.559   8.879  -0.602
   62   2HB   ASN  10          1HB       ASN  10  -1.846   8.290  -2.103
   63   1HD2  ASN  10          1HD2      ASN  10  -4.272  10.398  -0.768
   64   2HD2  ASN  10          2HD2      ASN  10  -4.930  10.915  -2.245
   65    HA   PRO  11           HA       PRO  11  -3.511   4.031  -4.192
   66   1HB   PRO  11          2HB       PRO  11  -5.434   4.620  -6.052
   67   2HB   PRO  11          1HB       PRO  11  -5.781   3.776  -4.530
   68   1HG   PRO  11          2HG       PRO  11  -6.185   6.639  -5.239
   69   2HG   PRO  11          1HG       PRO  11  -7.215   5.556  -4.290
   70   1HD   PRO  11          2HD       PRO  11  -5.578   7.418  -3.170
   71   2HD   PRO  11          1HD       PRO  11  -6.027   5.899  -2.362
   72    H    SER  12           H        SER  12  -3.679   7.461  -5.000
   73    HA   SER  12           HA       SER  12  -2.333   7.087  -7.610
   74   1HB   SER  12          2HB       SER  12  -3.350   9.448  -6.009
   75   2HB   SER  12          1HB       SER  12  -2.525   9.633  -7.554
   76    HG   SER  12           HG       SER  12  -4.986   9.366  -7.390
   77    H    ASN  13           H        ASN  13  -1.614   8.529  -4.411
   78    HA   ASN  13           HA       ASN  13   1.139   9.205  -5.172
   79   1HB   ASN  13          2HB       ASN  13  -0.758   9.940  -3.219
   80   2HB   ASN  13          1HB       ASN  13   0.568   9.194  -2.328
   81   1HD2  ASN  13          1HD2      ASN  13   2.630  10.287  -2.313
   82   2HD2  ASN  13          2HD2      ASN  13   2.841  11.834  -2.978
   83    H    ASP  14           H        ASP  14  -0.489   6.679  -3.292
   84    HA   ASP  14           HA       ASP  14   0.274   4.626  -2.440
   85   1HB   ASP  14          2HB       ASP  14   2.401   5.159  -4.544
   86   2HB   ASP  14          1HB       ASP  14   2.102   3.597  -3.783
   87    H    GLN  15           H        GLN  15   0.791   5.488  -0.342
   88    HA   GLN  15           HA       GLN  15   3.631   6.299   0.118
   89   1HB   GLN  15          2HB       GLN  15   1.375   7.511   0.839
   90   2HB   GLN  15          1HB       GLN  15   1.463   6.377   2.187
   91   1HG   GLN  15          2HG       GLN  15   3.496   7.258   2.963
   92   2HG   GLN  15          1HG       GLN  15   3.875   8.003   1.409
   93   1HE2  GLN  15          1HE2      GLN  15   1.531   8.247   4.134
   94   2HE2  GLN  15          2HE2      GLN  15   1.252   9.910   3.940
   95    H    CYS  16           H        CYS  16   2.760   3.437  -0.297
   96    HA   CYS  16           HA       CYS  16   2.936   2.193   2.370
   97   1HB   CYS  16          2HB       CYS  16   2.836   1.158  -0.480
   98   2HB   CYS  16          1HB       CYS  16   2.858   0.109   0.936
   99    H    CYS  17           H        CYS  17   4.684   0.595   2.836
  100    HA   CYS  17           HA       CYS  17   7.320   1.687   2.252
  101   1HB   CYS  17          2HB       CYS  17   6.163   0.271   4.271
  102   2HB   CYS  17          1HB       CYS  17   7.042  -1.013   3.441
  103    H    LYS  18           H        LYS  18   8.585   1.167   0.542
  104    HA   LYS  18           HA       LYS  18   7.820  -0.869  -1.400
  105   1HB   LYS  18          2HB       LYS  18   8.922   1.357  -1.845
  106   2HB   LYS  18          1HB       LYS  18  10.391   0.718  -1.107
  107   1HG   LYS  18          2HG       LYS  18  10.674   0.373  -3.443
  108   2HG   LYS  18          1HG       LYS  18  10.217  -1.204  -2.800
  109   1HD   LYS  18          2HD       LYS  18   8.190  -1.194  -3.851
  110   2HD   LYS  18          1HD       LYS  18   7.962   0.538  -3.611
  111   1HE   LYS  18          2HE       LYS  18   8.960   1.078  -5.607
  112   2HE   LYS  18          1HE       LYS  18  10.150  -0.232  -5.478
  113   1HZ   LYS  18          1HZ       LYS  18   7.251  -0.612  -6.023
  114   2HZ   LYS  18          2HZ       LYS  18   8.429  -1.836  -5.953
  115   3HZ   LYS  18          3HZ       LYS  18   8.472  -0.680  -7.198
  116    H    SER  19           H        SER  19  10.087  -0.702   1.305
  117    HA   SER  19           HA       SER  19  11.821  -2.868   0.649
  118   1HB   SER  19          2HB       SER  19  11.958  -1.108   2.501
  119   2HB   SER  19          1HB       SER  19  10.824  -2.106   3.406
  120    HG   SER  19           HG       SER  19  13.062  -2.550   3.852
  121    H    SER  20           H        SER  20   8.607  -2.843   2.196
  122    HA   SER  20           HA       SER  20   8.691  -5.805   2.513
  123   1HB   SER  20          2HB       SER  20   7.053  -3.508   3.534
  124   2HB   SER  20          1HB       SER  20   6.346  -5.121   3.553
  125    HG   SER  20           HG       SER  20   7.747  -5.726   5.036
  126    H    ASN  21           H        ASN  21   8.297  -4.150  -0.137
  127    HA   ASN  21           HA       ASN  21   7.003  -4.331  -2.095
  128   1HB   ASN  21          2HB       ASN  21   7.602  -6.813  -1.028
  129   2HB   ASN  21          1HB       ASN  21   5.861  -6.918  -1.280
  130   1HD2  ASN  21          1HD2      ASN  21   6.462  -8.535  -3.030
  131   2HD2  ASN  21          2HD2      ASN  21   6.918  -7.947  -4.555
  132    H    LEU  22           H        LEU  22   5.698  -2.872  -0.026
  133    HA   LEU  22           HA       LEU  22   2.885  -3.855   0.002
  134   1HB   LEU  22          2HB       LEU  22   4.468  -1.722   1.451
  135   2HB   LEU  22          1HB       LEU  22   2.712  -1.806   1.571
  136    HG   LEU  22           HG       LEU  22   4.513  -4.168   2.159
  137   1HD1  LEU  22          1HD1      LEU  22   5.112  -3.078   4.045
  138   2HD1  LEU  22          2HD1      LEU  22   3.435  -3.245   4.562
  139   3HD1  LEU  22          3HD1      LEU  22   3.963  -1.777   3.740
  140   1HD2  LEU  22          1HD2      LEU  22   2.466  -5.160   2.029
  141   2HD2  LEU  22          2HD2      LEU  22   1.611  -3.622   2.144
  142   3HD2  LEU  22          3HD2      LEU  22   2.190  -4.421   3.606
  143    H    VAL  23           H        VAL  23   1.298  -2.851  -1.204
  144    HA   VAL  23           HA       VAL  23   1.982  -0.286  -2.597
  145    HB   VAL  23           HB       VAL  23   0.806  -1.281  -4.597
  146   1HG1  VAL  23          1HG1      VAL  23   2.728  -2.382  -5.371
  147   2HG1  VAL  23          2HG1      VAL  23   3.074  -3.092  -3.795
  148   3HG1  VAL  23          3HG1      VAL  23   3.361  -1.374  -4.070
  149   1HG2  VAL  23          1HG2      VAL  23   0.340  -3.647  -4.668
  150   2HG2  VAL  23          2HG2      VAL  23  -0.439  -3.013  -3.219
  151   3HG2  VAL  23          3HG2      VAL  23   1.081  -3.898  -3.088
  152    H    CYS  24           H        CYS  24   0.219   1.152  -2.830
  153    HA   CYS  24           HA       CYS  24  -2.020   0.769  -1.002
  154   1HB   CYS  24          2HB       CYS  24  -0.690   2.903  -1.803
  155   2HB   CYS  24          1HB       CYS  24  -1.875   2.906  -3.110
  156    H    SER  25           H        SER  25  -3.805  -0.408  -1.531
  157    HA   SER  25           HA       SER  25  -4.416  -1.156  -4.297
  158   1HB   SER  25          2HB       SER  25  -4.661  -2.557  -2.182
  159   2HB   SER  25          1HB       SER  25  -6.044  -1.550  -1.770
  160    HG   SER  25           HG       SER  25  -7.063  -2.969  -2.960
  161    H    ARG  26           H        ARG  26  -6.820  -0.933  -4.996
  162    HA   ARG  26           HA       ARG  26  -7.643   1.919  -4.649
  163   1HB   ARG  26          2HB       ARG  26  -7.142   0.890  -6.908
  164   2HB   ARG  26          1HB       ARG  26  -8.537  -0.163  -6.670
  165   1HG   ARG  26          2HG       ARG  26 -10.061   1.622  -6.759
  166   2HG   ARG  26          1HG       ARG  26  -8.822   2.822  -6.388
  167   1HD   ARG  26          2HD       ARG  26  -8.700   3.198  -8.627
  168   2HD   ARG  26          1HD       ARG  26  -7.927   1.605  -8.757
  169    HE   ARG  26           HE       ARG  26 -10.851   2.115  -9.090
  170   1HH1  ARG  26          1HH2      ARG  26  -9.232   1.149 -11.393
  171   2HH1  ARG  26          2HH2      ARG  26  -9.505  -0.561 -11.355
  172   1HH2  ARG  26          2HH1      ARG  26 -10.714  -0.562  -8.096
  173   2HH2  ARG  26          1HH1      ARG  26 -10.347  -1.533  -9.483
  174    H    LYS  27           H        LYS  27  -9.073  -1.374  -4.773
  175    HA   LYS  27           HA       LYS  27 -11.707  -0.626  -3.909
  176   1HB   LYS  27          2HB       LYS  27 -10.984  -2.762  -5.024
  177   2HB   LYS  27          1HB       LYS  27 -10.197  -3.235  -3.518
  178   1HG   LYS  27          2HG       LYS  27 -12.808  -2.454  -2.791
  179   2HG   LYS  27          1HG       LYS  27 -12.994  -3.429  -4.248
  180   1HD   LYS  27          2HD       LYS  27 -11.060  -4.756  -2.670
  181   2HD   LYS  27          1HD       LYS  27 -12.352  -4.290  -1.565
  182   1HE   LYS  27          2HE       LYS  27 -13.396  -5.339  -4.098
  183   2HE   LYS  27          1HE       LYS  27 -12.398  -6.520  -3.228
  184   1HZ   LYS  27          1HZ       LYS  27 -13.640  -6.064  -1.216
  185   2HZ   LYS  27          2HZ       LYS  27 -14.707  -6.542  -2.449
  186   3HZ   LYS  27          3HZ       LYS  27 -14.583  -4.903  -2.018
  187    H    HIS  28           H        HIS  28  -8.859  -1.824  -2.105
  188    HA   HIS  28           HA       HIS  28 -10.235  -1.436   0.490
  189   1HB   HIS  28          2HB       HIS  28  -7.515  -2.466  -0.375
  190   2HB   HIS  28          1HB       HIS  28  -8.034  -2.393   1.308
  191    HD1  HIS  28           HD1      HIS  28 -10.578  -3.605   1.618
  192    HD2  HIS  28           HD2      HIS  28  -8.122  -4.908  -1.488
  193    HE1  HIS  28           HE1      HIS  28 -11.435  -5.889   0.938
  194    H    ARG  29           H        ARG  29  -7.925   0.215  -1.570
  195    HA   ARG  29           HA       ARG  29  -6.770   2.252  -1.323
  196   1HB   ARG  29          2HB       ARG  29  -9.345   2.584  -0.591
  197   2HB   ARG  29          1HB       ARG  29  -8.564   3.012   0.932
  198   1HG   ARG  29          2HG       ARG  29  -7.050   4.290  -1.073
  199   2HG   ARG  29          1HG       ARG  29  -8.737   4.548  -1.518
  200   1HD   ARG  29          2HD       ARG  29  -9.238   5.543   0.620
  201   2HD   ARG  29          1HD       ARG  29  -7.658   5.065   1.273
  202    HE   ARG  29           HE       ARG  29  -6.610   6.626  -0.349
  203   1HH1  ARG  29          2HH1      ARG  29  -8.349   8.331   1.393
  204   2HH1  ARG  29          1HH1      ARG  29  -9.229   9.267   0.231
  205   1HH2  ARG  29          1HH2      ARG  29  -8.467   7.163  -2.429
  206   2HH2  ARG  29          2HH2      ARG  29  -9.295   8.603  -1.940
  207    H    TRP  30           H        TRP  30  -5.569   0.126   0.063
  208    HA   TRP  30           HA       TRP  30  -4.257   1.595   2.274
  209   1HB   TRP  30          2HB       TRP  30  -4.760  -0.067   3.923
  210   2HB   TRP  30          1HB       TRP  30  -6.282   0.315   3.132
  211    HD1  TRP  30           HD1      TRP  30  -5.140  -1.610   0.512
  212    HE1  TRP  30           HE1      TRP  30  -5.593  -4.130   0.751
  213    HE3  TRP  30           HE3      TRP  30  -6.027  -1.874   5.534
  214    HZ2  TRP  30           HZ2      TRP  30  -6.251  -6.014   2.794
  215    HZ3  TRP  30           HZ3      TRP  30  -6.568  -4.045   6.598
  216    HH2  TRP  30           HH2      TRP  30  -6.680  -6.114   5.236
  217    H    CYS  31           H        CYS  31  -2.394   0.090   3.178
  218    HA   CYS  31           HA       CYS  31  -0.756  -0.693   0.896
  219   1HB   CYS  31          2HB       CYS  31  -0.434  -0.814   3.909
  220   2HB   CYS  31          1HB       CYS  31   0.842  -1.288   2.788
  221    H    LYS  32           H        LYS  32  -0.778  -2.688  -0.031
  222    HA   LYS  32           HA       LYS  32  -1.522  -5.059   1.648
  223   1HB   LYS  32          2HB       LYS  32  -3.352  -4.100   0.138
  224   2HB   LYS  32          1HB       LYS  32  -2.348  -4.586  -1.229
  225   1HG   LYS  32          2HG       LYS  32  -2.424  -6.909  -0.532
  226   2HG   LYS  32          1HG       LYS  32  -3.269  -6.476   0.954
  227   1HD   LYS  32          2HD       LYS  32  -5.232  -5.815  -0.245
  228   2HD   LYS  32          1HD       LYS  32  -4.387  -5.875  -1.792
  229   1HE   LYS  32          2HE       LYS  32  -4.158  -8.305  -1.624
  230   2HE   LYS  32          1HE       LYS  32  -4.895  -8.286  -0.010
  231   1HZ   LYS  32          1HZ       LYS  32  -6.553  -8.757  -1.718
  232   2HZ   LYS  32          2HZ       LYS  32  -6.178  -7.300  -2.506
  233   3HZ   LYS  32          3HZ       LYS  32  -6.876  -7.277  -0.957
  234    H    TYR  33           H        TYR  33  -0.415  -6.996   1.063
  235    HA   TYR  33           HA       TYR  33   2.150  -6.638  -0.291
  236   1HB   TYR  33          2HB       TYR  33   1.120  -8.264   1.675
  237   2HB   TYR  33          1HB       TYR  33   1.167  -9.365   0.298
  238    HD1  TYR  33           HD1      TYR  33   3.448  -8.985  -1.200
  239    HD2  TYR  33           HD2      TYR  33   3.012  -8.275   3.016
  240    HE1  TYR  33           HE1      TYR  33   5.897  -9.239  -0.902
  241    HE2  TYR  33           HE2      TYR  33   5.459  -8.529   3.312
  242    HH   TYR  33           HH       TYR  33   7.393  -9.970   1.504
  243    H    GLU  34           H        GLU  34   2.374  -6.771  -2.481
  244    HA   GLU  34           HA       GLU  34   0.279  -7.588  -4.267
  245   1HB   GLU  34          2HB       GLU  34   2.095  -7.371  -5.968
  246   2HB   GLU  34          1HB       GLU  34   2.047  -6.002  -4.860
  247   1HG   GLU  34          2HG       GLU  34   4.010  -6.624  -3.786
  248   2HG   GLU  34          1HG       GLU  34   3.808  -8.330  -4.177
  249    H    ILE  35           H        ILE  35   0.007  -9.523  -5.442
  250    HA   ILE  35           HA       ILE  35   1.258 -11.926  -4.243
  251    HB   ILE  35           HB       ILE  35  -1.234 -11.560  -4.693
  252   1HG1  ILE  35          1HG1      ILE  35  -0.280 -13.999  -6.164
  253   2HG1  ILE  35          2HG1      ILE  35   0.125 -13.813  -4.458
  254   1HG2  ILE  35          1HG2      ILE  35  -0.765 -10.612  -7.029
  255   2HG2  ILE  35          2HG2      ILE  35  -0.495 -12.278  -7.538
  256   3HG2  ILE  35          3HG2      ILE  35  -2.071 -11.791  -6.915
  257   1HD1  ILE  35          1HD1      ILE  35  -2.330 -13.412  -4.009
  258   2HD1  ILE  35          2HD1      ILE  35  -2.644 -13.859  -5.686
  259   3HD1  ILE  35          3HD1      ILE  35  -1.948 -15.038  -4.574
  260   1HN   NH2  36          1HN       NH2  36   3.434 -10.854  -7.096
  261   2HN   NH2  36          2HN       NH2  36   2.689 -10.079  -5.681
  Start of MODEL   11
    1   1H    GLU   1          1H        GLU   1   8.111   9.674   2.242
    2   2H    GLU   1          2H        GLU   1   7.875  10.041   0.600
    3   3H    GLU   1          3H        GLU   1   9.337  10.448   1.361
    4    HA   GLU   1           HA       GLU   1   9.703   8.498   0.013
    5   1HB   GLU   1          2HB       GLU   1   9.636   8.342   3.019
    6   2HB   GLU   1          1HB       GLU   1  10.202   6.953   2.092
    7   1HG   GLU   1          2HG       GLU   1  12.204   7.944   1.851
    8   2HG   GLU   1          1HG       GLU   1  11.432   9.263   0.971
    9    H    CYS   2           H        CYS   2   9.309   5.928   0.343
   10    HA   CYS   2           HA       CYS   2   6.613   5.380  -0.471
   11   1HB   CYS   2          2HB       CYS   2   7.385   3.112  -0.545
   12   2HB   CYS   2          1HB       CYS   2   8.782   4.110  -0.940
   13    H    LEU   3           H        LEU   3   5.084   3.920   0.695
   14    HA   LEU   3           HA       LEU   3   4.978   4.595   3.600
   15   1HB   LEU   3          2HB       LEU   3   2.972   3.630   1.543
   16   2HB   LEU   3          1HB       LEU   3   2.578   3.819   3.249
   17    HG   LEU   3           HG       LEU   3   3.804   6.085   1.679
   18   1HD1  LEU   3          1HD1      LEU   3   0.843   5.527   2.025
   19   2HD1  LEU   3          2HD1      LEU   3   1.733   5.308   0.518
   20   3HD1  LEU   3          3HD1      LEU   3   1.560   6.919   1.214
   21   1HD2  LEU   3          1HD2      LEU   3   3.708   6.112   4.202
   22   2HD2  LEU   3          2HD2      LEU   3   1.949   6.051   4.080
   23   3HD2  LEU   3          3HD2      LEU   3   2.830   7.437   3.438
   24    H    GLY   4           H        GLY   4   4.817   2.950   5.177
   25   1HA   GLY   4          2HA       GLY   4   5.877   0.334   4.426
   26   2HA   GLY   4          1HA       GLY   4   5.448   0.847   6.058
   27    H    PHE   5           H        PHE   5   4.445  -1.333   6.224
   28    HA   PHE   5           HA       PHE   5   2.086  -1.940   4.594
   29   1HB   PHE   5          2HB       PHE   5   3.453  -3.749   5.389
   30   2HB   PHE   5          1HB       PHE   5   3.404  -3.143   7.043
   31    HD1  PHE   5           HD1      PHE   5   0.913  -4.015   4.353
   32    HD2  PHE   5           HD2      PHE   5   2.023  -4.315   8.494
   33    HE1  PHE   5           HE1      PHE   5  -1.121  -5.360   4.803
   34    HE2  PHE   5           HE2      PHE   5  -0.009  -5.663   8.940
   35    HZ   PHE   5           HZ       PHE   5  -1.581  -6.185   7.095
   36    H    GLY   6           H        GLY   6  -0.042  -1.523   5.135
   37   1HA   GLY   6          2HA       GLY   6  -1.900  -0.838   6.401
   38   2HA   GLY   6          1HA       GLY   6  -0.903  -0.964   7.850
   39    H    LYS   7           H        LYS   7  -0.138   1.016   5.013
   40    HA   LYS   7           HA       LYS   7  -0.288   3.439   6.768
   41   1HB   LYS   7          2HB       LYS   7   1.730   2.325   5.165
   42   2HB   LYS   7          1HB       LYS   7   1.133   3.700   4.236
   43   1HG   LYS   7          2HG       LYS   7   2.759   4.698   5.590
   44   2HG   LYS   7          1HG       LYS   7   1.285   4.974   6.519
   45   1HD   LYS   7          2HD       LYS   7   1.770   2.877   7.807
   46   2HD   LYS   7          1HD       LYS   7   3.311   2.763   6.956
   47   1HE   LYS   7          2HE       LYS   7   4.069   4.866   7.897
   48   2HE   LYS   7          1HE       LYS   7   2.469   5.178   8.598
   49   1HZ   LYS   7          1HZ       LYS   7   2.670   3.151   9.894
   50   2HZ   LYS   7          2HZ       LYS   7   3.971   4.190  10.234
   51   3HZ   LYS   7          3HZ       LYS   7   4.199   2.840   9.227
   52    H    GLY   8           H        GLY   8  -1.644   5.110   6.147
   53   1HA   GLY   8          2HA       GLY   8  -3.721   4.699   4.250
   54   2HA   GLY   8          1HA       GLY   8  -3.288   6.263   4.938
   55    H    CYS   9           H        CYS   9  -3.646   4.760   2.065
   56    HA   CYS   9           HA       CYS   9  -1.748   6.625   0.709
   57   1HB   CYS   9          2HB       CYS   9  -1.133   4.702  -0.807
   58   2HB   CYS   9          1HB       CYS   9  -0.600   4.489   0.859
   59    H    ASN  10           H        ASN  10  -2.253   6.368  -1.829
   60    HA   ASN  10           HA       ASN  10  -5.197   6.730  -2.110
   61   1HB   ASN  10          2HB       ASN  10  -2.868   8.034  -3.031
   62   2HB   ASN  10          1HB       ASN  10  -3.572   7.275  -4.456
   63   1HD2  ASN  10          1HD2      ASN  10  -3.636  10.030  -4.429
   64   2HD2  ASN  10          2HD2      ASN  10  -5.204  10.596  -4.112
   65    HA   PRO  11           HA       PRO  11  -5.424   2.749  -4.078
   66   1HB   PRO  11          2HB       PRO  11  -7.911   3.041  -5.204
   67   2HB   PRO  11          1HB       PRO  11  -7.655   2.688  -3.484
   68   1HG   PRO  11          2HG       PRO  11  -8.261   5.285  -4.813
   69   2HG   PRO  11          1HG       PRO  11  -8.871   4.631  -3.285
   70   1HD   PRO  11          2HD       PRO  11  -6.915   6.503  -3.403
   71   2HD   PRO  11          1HD       PRO  11  -7.015   5.294  -2.104
   72    H    SER  12           H        SER  12  -6.352   5.684  -5.918
   73    HA   SER  12           HA       SER  12  -5.860   4.501  -8.533
   74   1HB   SER  12          2HB       SER  12  -7.263   6.590  -7.721
   75   2HB   SER  12          1HB       SER  12  -5.738   7.446  -7.927
   76    HG   SER  12           HG       SER  12  -7.479   6.772  -9.784
   77    H    ASN  13           H        ASN  13  -3.991   6.535  -6.284
   78    HA   ASN  13           HA       ASN  13  -1.547   6.040  -7.950
   79   1HB   ASN  13          2HB       ASN  13  -2.571   8.420  -7.716
   80   2HB   ASN  13          1HB       ASN  13  -1.980   8.359  -6.055
   81   1HD2  ASN  13          1HD2      ASN  13  -1.035  10.003  -8.489
   82   2HD2  ASN  13          2HD2      ASN  13   0.633   9.692  -8.569
   83    H    ASP  14           H        ASP  14  -1.544   4.005  -6.537
   84    HA   ASP  14           HA       ASP  14  -1.250   4.012  -3.716
   85   1HB   ASP  14          2HB       ASP  14  -0.359   1.791  -4.055
   86   2HB   ASP  14          1HB       ASP  14  -1.573   2.065  -5.303
   87    H    GLN  15           H        GLN  15   0.492   4.369  -2.353
   88    HA   GLN  15           HA       GLN  15   3.113   5.128  -3.605
   89   1HB   GLN  15          2HB       GLN  15   1.224   6.787  -2.387
   90   2HB   GLN  15          1HB       GLN  15   2.421   6.516  -1.120
   91   1HG   GLN  15          2HG       GLN  15   3.267   7.245  -3.922
   92   2HG   GLN  15          1HG       GLN  15   2.816   8.489  -2.755
   93   1HE2  GLN  15          1HE2      GLN  15   4.173   8.708  -0.799
   94   2HE2  GLN  15          2HE2      GLN  15   5.740   8.055  -0.758
   95    H    CYS  16           H        CYS  16   2.302   2.551  -2.386
   96    HA   CYS  16           HA       CYS  16   3.517   2.457   0.289
   97   1HB   CYS  16          2HB       CYS  16   2.595   0.288  -1.626
   98   2HB   CYS  16          1HB       CYS  16   2.967   0.059   0.081
   99    H    CYS  17           H        CYS  17   5.296   0.737   0.646
  100    HA   CYS  17           HA       CYS  17   7.532   1.315  -1.179
  101   1HB   CYS  17          2HB       CYS  17   7.190   0.828   1.535
  102   2HB   CYS  17          1HB       CYS  17   7.939  -0.659   0.953
  103    H    LYS  18           H        LYS  18   8.158  -0.014  -2.818
  104    HA   LYS  18           HA       LYS  18   6.733  -2.467  -3.436
  105   1HB   LYS  18          2HB       LYS  18   8.494  -0.592  -4.671
  106   2HB   LYS  18          1HB       LYS  18   9.212  -2.191  -4.864
  107   1HG   LYS  18          2HG       LYS  18   6.478  -2.571  -5.364
  108   2HG   LYS  18          1HG       LYS  18   6.879  -1.059  -6.177
  109   1HD   LYS  18          2HD       LYS  18   8.736  -3.396  -6.472
  110   2HD   LYS  18          1HD       LYS  18   7.244  -3.368  -7.413
  111   1HE   LYS  18          2HE       LYS  18   8.471  -0.763  -7.556
  112   2HE   LYS  18          1HE       LYS  18   9.664  -1.997  -8.002
  113   1HZ   LYS  18          1HZ       LYS  18   8.041  -2.997  -9.483
  114   2HZ   LYS  18          2HZ       LYS  18   8.292  -1.371  -9.905
  115   3HZ   LYS  18          3HZ       LYS  18   6.890  -1.823  -9.061
  116    H    SER  19           H        SER  19   9.802  -1.729  -1.833
  117    HA   SER  19           HA       SER  19  11.104  -4.245  -2.017
  118   1HB   SER  19          2HB       SER  19  11.964  -2.030  -1.137
  119   2HB   SER  19          1HB       SER  19  11.069  -2.346   0.348
  120    HG   SER  19           HG       SER  19  12.748  -3.473   0.905
  121    H    SER  20           H        SER  20   8.596  -3.121   0.256
  122    HA   SER  20           HA       SER  20   8.615  -5.752   1.646
  123   1HB   SER  20          2HB       SER  20   8.548  -3.452   2.768
  124   2HB   SER  20          1HB       SER  20   6.898  -3.313   2.168
  125    HG   SER  20           HG       SER  20   7.984  -5.012   4.108
  126    H    ASN  21           H        ASN  21   7.447  -5.079  -1.212
  127    HA   ASN  21           HA       ASN  21   5.549  -5.667  -2.481
  128   1HB   ASN  21          2HB       ASN  21   5.439  -7.670  -0.197
  129   2HB   ASN  21          1HB       ASN  21   4.614  -7.855  -1.743
  130   1HD2  ASN  21          1HD2      ASN  21   7.678  -8.201  -0.115
  131   2HD2  ASN  21          2HD2      ASN  21   8.563  -8.722  -1.468
  132    H    LEU  22           H        LEU  22   4.684  -3.475  -1.499
  133    HA   LEU  22           HA       LEU  22   2.208  -4.036   0.105
  134   1HB   LEU  22          2HB       LEU  22   4.053  -1.633  -0.025
  135   2HB   LEU  22          1HB       LEU  22   2.539  -1.659   0.876
  136    HG   LEU  22           HG       LEU  22   4.772  -3.658   1.318
  137   1HD1  LEU  22          1HD1      LEU  22   5.126  -2.282   3.443
  138   2HD1  LEU  22          2HD1      LEU  22   4.167  -1.020   2.669
  139   3HD1  LEU  22          3HD1      LEU  22   5.688  -1.542   1.944
  140   1HD2  LEU  22          1HD2      LEU  22   3.521  -3.971   3.486
  141   2HD2  LEU  22          2HD2      LEU  22   2.602  -4.455   2.061
  142   3HD2  LEU  22          3HD2      LEU  22   2.260  -2.915   2.851
  143    H    VAL  23           H        VAL  23   0.278  -3.346  -0.767
  144    HA   VAL  23           HA       VAL  23   0.350  -1.543  -3.164
  145    HB   VAL  23           HB       VAL  23  -1.481  -3.025  -4.080
  146   1HG1  VAL  23          1HG1      VAL  23   0.019  -4.704  -4.910
  147   2HG1  VAL  23          2HG1      VAL  23   1.067  -4.553  -3.500
  148   3HG1  VAL  23          3HG1      VAL  23   0.975  -3.241  -4.675
  149   1HG2  VAL  23          1HG2      VAL  23  -1.800  -5.241  -3.089
  150   2HG2  VAL  23          2HG2      VAL  23  -2.146  -4.007  -1.880
  151   3HG2  VAL  23          3HG2      VAL  23  -0.615  -4.880  -1.835
  152    H    CYS  24           H        CYS  24  -1.312   0.008  -3.187
  153    HA   CYS  24           HA       CYS  24  -2.717   0.528  -0.705
  154   1HB   CYS  24          2HB       CYS  24  -1.847   2.079  -2.651
  155   2HB   CYS  24          1HB       CYS  24  -3.435   1.765  -3.351
  156    H    SER  25           H        SER  25  -4.801  -0.015  -0.135
  157    HA   SER  25           HA       SER  25  -6.338  -1.753  -2.007
  158   1HB   SER  25          2HB       SER  25  -5.659  -1.912   0.666
  159   2HB   SER  25          1HB       SER  25  -7.310  -1.305   0.740
  160    HG   SER  25           HG       SER  25  -7.936  -3.234   0.236
  161    H    ARG  26           H        ARG  26  -8.647  -1.355  -2.305
  162    HA   ARG  26           HA       ARG  26  -9.327   1.533  -2.336
  163   1HB   ARG  26          2HB       ARG  26  -9.594  -0.057  -4.291
  164   2HB   ARG  26          1HB       ARG  26 -10.868  -0.865  -3.373
  165   1HG   ARG  26          2HG       ARG  26 -12.135   1.237  -3.246
  166   2HG   ARG  26          1HG       ARG  26 -10.853   2.075  -4.122
  167   1HD   ARG  26          2HD       ARG  26 -11.482  -0.176  -5.707
  168   2HD   ARG  26          1HD       ARG  26 -13.039   0.508  -5.197
  169    HE   ARG  26           HE       ARG  26 -12.047   2.763  -5.946
  170   1HH1  ARG  26          2HH1      ARG  26  -9.372   1.932  -6.787
  171   2HH1  ARG  26          1HH1      ARG  26  -9.560   1.604  -8.478
  172   1HH2  ARG  26          1HH2      ARG  26 -13.027   1.385  -8.319
  173   2HH2  ARG  26          2HH2      ARG  26 -11.636   1.294  -9.348
  174    H    LYS  27           H        LYS  27 -10.311  -1.463  -0.733
  175    HA   LYS  27           HA       LYS  27 -12.682  -0.239   0.513
  176   1HB   LYS  27          2HB       LYS  27 -12.810  -2.480   1.618
  177   2HB   LYS  27          1HB       LYS  27 -12.675  -2.598  -0.135
  178   1HG   LYS  27          2HG       LYS  27 -10.702  -3.693  -0.001
  179   2HG   LYS  27          1HG       LYS  27 -10.055  -2.534   1.157
  180   1HD   LYS  27          2HD       LYS  27 -10.312  -4.049   2.792
  181   2HD   LYS  27          1HD       LYS  27 -12.053  -4.031   2.517
  182   1HE   LYS  27          2HE       LYS  27 -11.977  -5.899   1.087
  183   2HE   LYS  27          1HE       LYS  27 -10.253  -5.670   0.730
  184   1HZ   LYS  27          1HZ       LYS  27 -11.360  -6.353   3.405
  185   2HZ   LYS  27          2HZ       LYS  27  -9.715  -6.188   3.011
  186   3HZ   LYS  27          3HZ       LYS  27 -10.626  -7.462   2.351
  187    H    HIS  28           H        HIS  28  -9.303  -0.745   1.323
  188    HA   HIS  28           HA       HIS  28  -9.828   0.170   4.130
  189   1HB   HIS  28          2HB       HIS  28  -7.730  -1.535   2.789
  190   2HB   HIS  28          1HB       HIS  28  -7.413  -0.796   4.358
  191    HD1  HIS  28           HD1      HIS  28  -7.463  -3.736   4.524
  192    HD2  HIS  28           HD2      HIS  28 -11.004  -1.542   4.680
  193    HE1  HIS  28           HE1      HIS  28  -9.181  -5.225   5.640
  194    H    ARG  29           H        ARG  29  -8.403   1.096   1.100
  195    HA   ARG  29           HA       ARG  29  -7.127   2.968   0.452
  196   1HB   ARG  29          2HB       ARG  29  -8.817   3.715   2.773
  197   2HB   ARG  29          1HB       ARG  29  -7.502   4.831   2.415
  198   1HG   ARG  29          2HG       ARG  29  -9.206   5.663   1.054
  199   2HG   ARG  29          1HG       ARG  29  -8.343   4.603  -0.060
  200   1HD   ARG  29          2HD       ARG  29 -10.685   4.084  -0.310
  201   2HD   ARG  29          1HD       ARG  29  -9.992   2.761   0.647
  202    HE   ARG  29           HE       ARG  29 -11.268   5.108   1.997
  203   1HH1  ARG  29          2HH1      ARG  29 -13.135   2.896   1.143
  204   2HH1  ARG  29          1HH1      ARG  29 -13.180   1.902   2.562
  205   1HH2  ARG  29          1HH2      ARG  29 -10.345   3.330   3.975
  206   2HH2  ARG  29          2HH2      ARG  29 -11.595   2.148   4.168
  207    H    TRP  30           H        TRP  30  -5.626   0.948   1.802
  208    HA   TRP  30           HA       TRP  30  -3.442   2.616   2.901
  209   1HB   TRP  30          2HB       TRP  30  -3.359   1.468   4.995
  210   2HB   TRP  30          1HB       TRP  30  -5.047   1.890   4.748
  211    HD1  TRP  30           HD1      TRP  30  -5.248  -0.685   2.521
  212    HE1  TRP  30           HE1      TRP  30  -5.655  -3.003   3.555
  213    HE3  TRP  30           HE3      TRP  30  -3.826   0.232   7.341
  214    HZ2  TRP  30           HZ2      TRP  30  -5.415  -4.304   6.085
  215    HZ3  TRP  30           HZ3      TRP  30  -3.929  -1.567   9.040
  216    HH2  TRP  30           HH2      TRP  30  -4.721  -3.832   8.419
  217    H    CYS  31           H        CYS  31  -1.469   1.083   3.395
  218    HA   CYS  31           HA       CYS  31  -0.929  -0.439   0.969
  219   1HB   CYS  31          2HB       CYS  31   0.582  -0.011   3.565
  220   2HB   CYS  31          1HB       CYS  31   1.264  -0.805   2.148
  221    H    LYS  32           H        LYS  32  -1.101  -2.623   0.684
  222    HA   LYS  32           HA       LYS  32  -1.714  -4.326   3.082
  223   1HB   LYS  32          2HB       LYS  32  -2.978  -3.918   0.446
  224   2HB   LYS  32          1HB       LYS  32  -2.767  -5.614   0.881
  225   1HG   LYS  32          2HG       LYS  32  -3.737  -4.008   3.125
  226   2HG   LYS  32          1HG       LYS  32  -4.832  -3.960   1.743
  227   1HD   LYS  32          2HD       LYS  32  -4.977  -6.370   1.683
  228   2HD   LYS  32          1HD       LYS  32  -3.702  -6.526   2.893
  229   1HE   LYS  32          2HE       LYS  32  -5.189  -5.274   4.513
  230   2HE   LYS  32          1HE       LYS  32  -6.487  -5.389   3.308
  231   1HZ   LYS  32          1HZ       LYS  32  -6.200  -7.785   3.261
  232   2HZ   LYS  32          2HZ       LYS  32  -6.542  -7.271   4.843
  233   3HZ   LYS  32          3HZ       LYS  32  -4.953  -7.688   4.409
  234    H    TYR  33           H        TYR  33  -0.643  -6.344   3.175
  235    HA   TYR  33           HA       TYR  33   1.785  -6.597   1.518
  236   1HB   TYR  33          2HB       TYR  33   1.102  -7.124   4.131
  237   2HB   TYR  33          1HB       TYR  33   1.039  -8.735   3.416
  238    HD1  TYR  33           HD1      TYR  33   3.071  -9.332   1.812
  239    HD2  TYR  33           HD2      TYR  33   3.160  -6.302   4.856
  240    HE1  TYR  33           HE1      TYR  33   5.548  -9.444   1.852
  241    HE2  TYR  33           HE2      TYR  33   5.636  -6.415   4.895
  242    HH   TYR  33           HH       TYR  33   7.467  -7.423   2.711
  243    H    GLU  34           H        GLU  34   1.579  -7.588  -0.456
  244    HA   GLU  34           HA       GLU  34  -0.637  -9.279  -1.203
  245   1HB   GLU  34          2HB       GLU  34   0.705  -9.600  -3.249
  246   2HB   GLU  34          1HB       GLU  34   0.728  -7.908  -2.756
  247   1HG   GLU  34          2HG       GLU  34   2.983  -8.055  -2.877
  248   2HG   GLU  34          1HG       GLU  34   2.890  -8.992  -1.387
  249    H    ILE  35           H        ILE  35  -0.501 -11.589  -1.759
  250    HA   ILE  35           HA       ILE  35   1.110 -13.110   0.208
  251    HB   ILE  35           HB       ILE  35  -1.016 -13.927  -1.806
  252   1HG1  ILE  35          1HG1      ILE  35  -1.931 -12.378  -0.159
  253   2HG1  ILE  35          2HG1      ILE  35  -2.489 -14.004   0.223
  254   1HG2  ILE  35          1HG2      ILE  35   0.312 -15.396   0.483
  255   2HG2  ILE  35          2HG2      ILE  35  -1.208 -15.924  -0.241
  256   3HG2  ILE  35          3HG2      ILE  35   0.260 -15.867  -1.216
  257   1HD1  ILE  35          1HD1      ILE  35  -0.365 -14.090   1.762
  258   2HD1  ILE  35          2HD1      ILE  35  -0.433 -12.331   1.645
  259   3HD1  ILE  35          3HD1      ILE  35  -1.797 -13.224   2.318
  260   1HN   NH2  36          1HN       NH2  36   2.569 -12.845  -3.462
  261   2HN   NH2  36          2HN       NH2  36   1.418 -11.796  -2.606
  Start of MODEL   12
    1   1H    GLU   1          1H        GLU   1   6.834  10.970   1.368
    2   2H    GLU   1          2H        GLU   1   5.534  10.836   2.454
    3   3H    GLU   1          3H        GLU   1   5.560  12.090   1.309
    4    HA   GLU   1           HA       GLU   1   4.017  10.327   0.639
    5   1HB   GLU   1          2HB       GLU   1   5.855  11.752  -0.787
    6   2HB   GLU   1          1HB       GLU   1   6.279  10.111  -1.272
    7   1HG   GLU   1          2HG       GLU   1   3.379  10.784  -1.237
    8   2HG   GLU   1          1HG       GLU   1   4.349  11.527  -2.509
    9    H    CYS   2           H        CYS   2   5.019   8.793   2.629
   10    HA   CYS   2           HA       CYS   2   5.530   6.205   1.302
   11   1HB   CYS   2          2HB       CYS   2   7.782   6.902   1.468
   12   2HB   CYS   2          1HB       CYS   2   7.510   7.714   3.009
   13    H    LEU   3           H        LEU   3   4.107   4.870   2.343
   14    HA   LEU   3           HA       LEU   3   3.517   5.372   5.242
   15   1HB   LEU   3          2HB       LEU   3   1.961   4.023   3.011
   16   2HB   LEU   3          1HB       LEU   3   1.410   4.115   4.683
   17    HG   LEU   3           HG       LEU   3   2.033   6.501   2.914
   18   1HD1  LEU   3          1HD1      LEU   3  -0.010   5.300   2.229
   19   2HD1  LEU   3          2HD1      LEU   3  -0.410   6.855   2.958
   20   3HD1  LEU   3          3HD1      LEU   3  -0.608   5.368   3.886
   21   1HD2  LEU   3          1HD2      LEU   3   1.309   6.151   5.797
   22   2HD2  LEU   3          2HD2      LEU   3   0.624   7.528   4.935
   23   3HD2  LEU   3          3HD2      LEU   3   2.374   7.339   5.047
   24    H    GLY   4           H        GLY   4   3.659   3.614   6.693
   25   1HA   GLY   4          2HA       GLY   4   5.450   1.450   5.932
   26   2HA   GLY   4          1HA       GLY   4   4.703   1.665   7.514
   27    H    PHE   5           H        PHE   5   4.752  -0.872   6.721
   28    HA   PHE   5           HA       PHE   5   2.595  -1.767   5.032
   29   1HB   PHE   5          2HB       PHE   5   4.517  -3.155   5.533
   30   2HB   PHE   5          1HB       PHE   5   4.205  -3.045   7.264
   31    HD1  PHE   5           HD1      PHE   5   2.590  -4.452   8.336
   32    HD2  PHE   5           HD2      PHE   5   2.914  -4.405   4.052
   33    HE1  PHE   5           HE1      PHE   5   1.114  -6.439   8.202
   34    HE2  PHE   5           HE2      PHE   5   1.439  -6.395   3.922
   35    HZ   PHE   5           HZ       PHE   5   0.539  -7.411   5.995
   36    H    GLY   6           H        GLY   6   0.464  -2.256   5.546
   37   1HA   GLY   6          2HA       GLY   6  -1.503  -2.451   6.810
   38   2HA   GLY   6          1HA       GLY   6  -0.500  -2.580   8.254
   39    H    LYS   7           H        LYS   7  -0.717   0.074   5.872
   40    HA   LYS   7           HA       LYS   7  -1.496   1.904   8.123
   41   1HB   LYS   7          2HB       LYS   7   0.824   2.081   7.095
   42   2HB   LYS   7          1HB       LYS   7   0.038   2.559   5.590
   43   1HG   LYS   7          2HG       LYS   7   0.353   4.653   6.494
   44   2HG   LYS   7          1HG       LYS   7  -1.198   4.273   7.241
   45   1HD   LYS   7          2HD       LYS   7   0.010   3.385   9.231
   46   2HD   LYS   7          1HD       LYS   7   1.536   3.871   8.492
   47   1HE   LYS   7          2HE       LYS   7  -0.681   5.891   8.856
   48   2HE   LYS   7          1HE       LYS   7   0.429   5.517  10.187
   49   1HZ   LYS   7          1HZ       LYS   7   1.751   7.006   9.166
   50   2HZ   LYS   7          2HZ       LYS   7   0.955   6.866   7.673
   51   3HZ   LYS   7          3HZ       LYS   7   2.128   5.722   8.124
   52    H    GLY   8           H        GLY   8  -3.410   2.995   7.828
   53   1HA   GLY   8          2HA       GLY   8  -5.180   2.443   5.673
   54   2HA   GLY   8          1HA       GLY   8  -5.363   3.787   6.801
   55    H    CYS   9           H        CYS   9  -4.955   3.077   3.590
   56    HA   CYS   9           HA       CYS   9  -4.065   5.861   3.002
   57   1HB   CYS   9          2HB       CYS   9  -2.353   5.061   1.490
   58   2HB   CYS   9          1HB       CYS   9  -2.119   4.235   3.030
   59    H    ASN  10           H        ASN  10  -4.334   6.255   0.534
   60    HA   ASN  10           HA       ASN  10  -6.973   5.161  -0.286
   61   1HB   ASN  10          2HB       ASN  10  -5.225   7.506  -1.032
   62   2HB   ASN  10          1HB       ASN  10  -6.585   7.042  -2.056
   63   1HD2  ASN  10          1HD2      ASN  10  -5.751   8.921   0.655
   64   2HD2  ASN  10          2HD2      ASN  10  -7.312   9.139   1.287
   65    HA   PRO  11           HA       PRO  11  -4.968   2.442  -3.171
   66   1HB   PRO  11          2HB       PRO  11  -7.172   1.820  -4.676
   67   2HB   PRO  11          1HB       PRO  11  -6.865   1.128  -3.070
   68   1HG   PRO  11          2HG       PRO  11  -8.667   3.369  -3.853
   69   2HG   PRO  11          1HG       PRO  11  -8.928   2.069  -2.679
   70   1HD   PRO  11          2HD       PRO  11  -8.239   4.592  -1.958
   71   2HD   PRO  11          1HD       PRO  11  -7.778   3.156  -1.017
   72    H    SER  12           H        SER  12  -6.986   5.166  -4.209
   73    HA   SER  12           HA       SER  12  -6.187   5.163  -6.991
   74   1HB   SER  12          2HB       SER  12  -8.208   6.246  -5.860
   75   2HB   SER  12          1HB       SER  12  -7.106   7.497  -5.292
   76    HG   SER  12           HG       SER  12  -7.595   8.333  -7.181
   77    H    ASN  13           H        ASN  13  -5.049   6.985  -4.119
   78    HA   ASN  13           HA       ASN  13  -2.946   8.350  -5.649
   79   1HB   ASN  13          2HB       ASN  13  -4.325   9.142  -3.589
   80   2HB   ASN  13          1HB       ASN  13  -3.196   8.168  -2.647
   81   1HD2  ASN  13          1HD2      ASN  13  -3.582  11.188  -4.335
   82   2HD2  ASN  13          2HD2      ASN  13  -1.996  11.749  -4.113
   83    H    ASP  14           H        ASP  14  -3.115   5.750  -3.222
   84    HA   ASP  14           HA       ASP  14  -1.567   4.090  -2.608
   85   1HB   ASP  14          2HB       ASP  14  -1.736   4.096  -5.271
   86   2HB   ASP  14          1HB       ASP  14  -0.054   4.614  -5.140
   87    H    GLN  15           H        GLN  15  -0.752   5.601  -0.927
   88    HA   GLN  15           HA       GLN  15   1.806   6.985  -1.587
   89   1HB   GLN  15          2HB       GLN  15  -0.217   8.035  -0.400
   90   2HB   GLN  15          1HB       GLN  15   0.227   7.045   0.989
   91   1HG   GLN  15          2HG       GLN  15   1.687   8.656   1.576
   92   2HG   GLN  15          1HG       GLN  15   2.629   8.237   0.146
   93   1HE2  GLN  15          1HE2      GLN  15   1.439  10.902   1.600
   94   2HE2  GLN  15          2HE2      GLN  15   1.054  11.852   0.248
   95    H    CYS  16           H        CYS  16   1.327   3.915  -1.005
   96    HA   CYS  16           HA       CYS  16   2.726   3.385   1.486
   97   1HB   CYS  16          2HB       CYS  16   2.122   1.740  -0.991
   98   2HB   CYS  16          1HB       CYS  16   2.806   1.068   0.488
   99    H    CYS  17           H        CYS  17   4.924   2.589   1.687
  100    HA   CYS  17           HA       CYS  17   6.837   3.930  -0.046
  101   1HB   CYS  17          2HB       CYS  17   6.731   2.800   2.534
  102   2HB   CYS  17          1HB       CYS  17   7.950   1.868   1.665
  103    H    LYS  18           H        LYS  18   7.689   3.137  -1.908
  104    HA   LYS  18           HA       LYS  18   7.034   0.474  -2.892
  105   1HB   LYS  18          2HB       LYS  18   8.085   2.998  -3.831
  106   2HB   LYS  18          1HB       LYS  18   9.090   1.678  -4.429
  107   1HG   LYS  18          2HG       LYS  18   6.223   1.086  -4.590
  108   2HG   LYS  18          1HG       LYS  18   6.688   2.497  -5.541
  109   1HD   LYS  18          2HD       LYS  18   8.144   1.277  -6.894
  110   2HD   LYS  18          1HD       LYS  18   8.361   0.007  -5.690
  111   1HE   LYS  18          2HE       LYS  18   6.072  -0.800  -6.082
  112   2HE   LYS  18          1HE       LYS  18   5.797   0.510  -7.247
  113   1HZ   LYS  18          1HZ       LYS  18   7.663  -0.293  -8.552
  114   2HZ   LYS  18          2HZ       LYS  18   6.512  -1.528  -8.362
  115   3HZ   LYS  18          3HZ       LYS  18   7.939  -1.545  -7.441
  116    H    SER  19           H        SER  19   9.738   1.855  -1.139
  117    HA   SER  19           HA       SER  19  11.851   0.110  -1.874
  118   1HB   SER  19          2HB       SER  19  12.749   0.767   0.354
  119   2HB   SER  19          1HB       SER  19  12.084   2.144  -0.519
  120    HG   SER  19           HG       SER  19  10.681   2.368   1.022
  121    H    SER  20           H        SER  20   9.220  -0.357   0.498
  122    HA   SER  20           HA       SER  20  10.261  -3.089   1.115
  123   1HB   SER  20          2HB       SER  20   9.057  -0.979   2.581
  124   2HB   SER  20          1HB       SER  20   7.884  -2.292   2.554
  125    HG   SER  20           HG       SER  20  10.434  -2.166   3.671
  126    H    ASN  21           H        ASN  21   8.759  -2.207  -1.434
  127    HA   ASN  21           HA       ASN  21   7.062  -3.038  -2.836
  128   1HB   ASN  21          2HB       ASN  21   7.853  -5.293  -1.003
  129   2HB   ASN  21          1HB       ASN  21   6.578  -5.541  -2.196
  130   1HD2  ASN  21          1HD2      ASN  21  10.031  -4.652  -1.863
  131   2HD2  ASN  21          2HD2      ASN  21  10.446  -5.038  -3.463
  132    H    LEU  22           H        LEU  22   5.895  -1.318  -1.160
  133    HA   LEU  22           HA       LEU  22   3.545  -2.740   0.051
  134   1HB   LEU  22          2HB       LEU  22   4.836  -0.046   0.592
  135   2HB   LEU  22          1HB       LEU  22   3.357  -0.600   1.372
  136    HG   LEU  22           HG       LEU  22   5.907  -2.220   1.455
  137   1HD1  LEU  22          1HD1      LEU  22   6.119  -1.235   3.802
  138   2HD1  LEU  22          2HD1      LEU  22   4.968  -0.002   3.287
  139   3HD1  LEU  22          3HD1      LEU  22   6.527  -0.147   2.475
  140   1HD2  LEU  22          1HD2      LEU  22   3.406  -2.131   3.175
  141   2HD2  LEU  22          2HD2      LEU  22   4.794  -3.181   3.458
  142   3HD2  LEU  22          3HD2      LEU  22   3.814  -3.388   2.007
  143    H    VAL  23           H        VAL  23   1.541  -2.296  -0.789
  144    HA   VAL  23           HA       VAL  23   1.186   0.089  -2.557
  145    HB   VAL  23           HB       VAL  23  -0.059  -1.482  -4.132
  146   1HG1  VAL  23          1HG1      VAL  23   2.342  -0.676  -4.422
  147   2HG1  VAL  23          2HG1      VAL  23   1.928  -2.165  -5.271
  148   3HG1  VAL  23          3HG1      VAL  23   2.849  -2.234  -3.770
  149   1HG2  VAL  23          1HG2      VAL  23  -0.297  -3.305  -2.384
  150   2HG2  VAL  23          2HG2      VAL  23   1.422  -3.640  -2.597
  151   3HG2  VAL  23          3HG2      VAL  23   0.307  -3.860  -3.946
  152    H    CYS  24           H        CYS  24  -0.899   0.988  -2.393
  153    HA   CYS  24           HA       CYS  24  -2.489   0.362  -0.086
  154   1HB   CYS  24          2HB       CYS  24  -2.845   2.026  -2.579
  155   2HB   CYS  24          1HB       CYS  24  -4.135   1.903  -1.383
  156    H    SER  25           H        SER  25  -3.875  -1.325   0.153
  157    HA   SER  25           HA       SER  25  -4.642  -3.050  -2.066
  158   1HB   SER  25          2HB       SER  25  -4.206  -3.519   0.478
  159   2HB   SER  25          1HB       SER  25  -5.886  -3.032   0.681
  160    HG   SER  25           HG       SER  25  -5.760  -5.257   0.331
  161    H    ARG  26           H        ARG  26  -6.896  -3.501  -2.663
  162    HA   ARG  26           HA       ARG  26  -8.543  -1.040  -2.780
  163   1HB   ARG  26          2HB       ARG  26  -8.146  -3.527  -4.285
  164   2HB   ARG  26          1HB       ARG  26  -9.851  -3.113  -4.104
  165   1HG   ARG  26          2HG       ARG  26  -9.124  -2.010  -6.094
  166   2HG   ARG  26          1HG       ARG  26  -9.221  -0.756  -4.858
  167   1HD   ARG  26          2HD       ARG  26  -7.069  -0.251  -5.405
  168   2HD   ARG  26          1HD       ARG  26  -6.618  -1.765  -4.599
  169    HE   ARG  26           HE       ARG  26  -6.388  -2.782  -6.730
  170   1HH1  ARG  26          1HH2      ARG  26  -6.041   0.278  -7.465
  171   2HH1  ARG  26          2HH2      ARG  26  -6.946   0.311  -8.942
  172   1HH2  ARG  26          2HH1      ARG  26  -8.440  -2.781  -8.408
  173   2HH2  ARG  26          1HH1      ARG  26  -8.307  -1.424  -9.476
  174    H    LYS  27           H        LYS  27  -8.763  -4.390  -1.570
  175    HA   LYS  27           HA       LYS  27 -11.456  -4.034  -0.472
  176   1HB   LYS  27          2HB       LYS  27 -10.394  -6.167  -1.359
  177   2HB   LYS  27          1HB       LYS  27  -9.377  -6.175   0.082
  178   1HG   LYS  27          2HG       LYS  27 -11.756  -5.880   1.284
  179   2HG   LYS  27          1HG       LYS  27 -12.301  -6.703  -0.178
  180   1HD   LYS  27          2HD       LYS  27 -10.792  -8.555   0.228
  181   2HD   LYS  27          1HD       LYS  27 -10.048  -7.708   1.583
  182   1HE   LYS  27          2HE       LYS  27 -11.548  -8.962   2.806
  183   2HE   LYS  27          1HE       LYS  27 -12.665  -7.657   2.359
  184   1HZ   LYS  27          1HZ       LYS  27 -13.224  -8.891   0.341
  185   2HZ   LYS  27          2HZ       LYS  27 -13.582  -9.802   1.729
  186   3HZ   LYS  27          3HZ       LYS  27 -12.197 -10.156   0.812
  187    H    HIS  28           H        HIS  28  -8.123  -4.090   0.815
  188    HA   HIS  28           HA       HIS  28  -9.089  -3.611   3.575
  189   1HB   HIS  28          2HB       HIS  28  -6.355  -3.968   2.308
  190   2HB   HIS  28          1HB       HIS  28  -6.621  -3.782   4.041
  191    HD1  HIS  28           HD1      HIS  28  -5.459  -6.409   2.707
  192    HD2  HIS  28           HD2      HIS  28  -9.434  -5.835   3.820
  193    HE1  HIS  28           HE1      HIS  28  -6.451  -8.716   3.038
  194    H    ARG  29           H        ARG  29  -7.895  -1.772   0.861
  195    HA   ARG  29           HA       ARG  29  -7.412   0.516   0.594
  196   1HB   ARG  29          2HB       ARG  29  -9.180   0.486   3.060
  197   2HB   ARG  29          1HB       ARG  29  -8.726   1.963   2.210
  198   1HG   ARG  29          2HG       ARG  29  -9.966   1.422   0.317
  199   2HG   ARG  29          1HG       ARG  29  -9.897  -0.310   0.641
  200   1HD   ARG  29          2HD       ARG  29 -11.360   1.508   2.552
  201   2HD   ARG  29          1HD       ARG  29 -12.157   0.938   1.073
  202    HE   ARG  29           HE       ARG  29 -11.400  -1.413   1.878
  203   1HH1  ARG  29          2HH1      ARG  29 -13.921  -0.553   3.180
  204   2HH1  ARG  29          1HH1      ARG  29 -13.566  -0.740   4.864
  205   1HH2  ARG  29          1HH2      ARG  29 -10.125  -0.875   4.394
  206   2HH2  ARG  29          2HH2      ARG  29 -11.410  -0.923   5.554
  207    H    TRP  30           H        TRP  30  -5.361  -0.971   1.903
  208    HA   TRP  30           HA       TRP  30  -4.080   1.208   3.440
  209   1HB   TRP  30          2HB       TRP  30  -3.760  -0.093   5.412
  210   2HB   TRP  30          1HB       TRP  30  -5.445  -0.323   4.973
  211    HD1  TRP  30           HD1      TRP  30  -4.365  -2.451   2.524
  212    HE1  TRP  30           HE1      TRP  30  -3.926  -4.866   3.291
  213    HE3  TRP  30           HE3      TRP  30  -3.961  -1.714   7.559
  214    HZ2  TRP  30           HZ2      TRP  30  -3.467  -6.304   5.719
  215    HZ3  TRP  30           HZ3      TRP  30  -3.525  -3.624   9.075
  216    HH2  TRP  30           HH2      TRP  30  -3.278  -5.916   8.163
  217    H    CYS  31           H        CYS  31  -1.702   0.431   4.016
  218    HA   CYS  31           HA       CYS  31  -0.426  -0.325   1.536
  219   1HB   CYS  31          2HB       CYS  31   0.462   0.063   4.397
  220   2HB   CYS  31          1HB       CYS  31   1.600  -0.434   3.148
  221    H    LYS  32           H        LYS  32  -0.466  -2.378   0.749
  222    HA   LYS  32           HA       LYS  32  -0.220  -4.663   2.683
  223   1HB   LYS  32          2HB       LYS  32  -2.427  -4.492   1.614
  224   2HB   LYS  32          1HB       LYS  32  -1.671  -4.427   0.023
  225   1HG   LYS  32          2HG       LYS  32  -1.659  -6.674  -0.066
  226   2HG   LYS  32          1HG       LYS  32  -0.652  -6.727   1.380
  227   1HD   LYS  32          2HD       LYS  32  -2.809  -6.404   2.719
  228   2HD   LYS  32          1HD       LYS  32  -3.670  -6.752   1.219
  229   1HE   LYS  32          2HE       LYS  32  -2.337  -8.909   1.060
  230   2HE   LYS  32          1HE       LYS  32  -1.757  -8.581   2.705
  231   1HZ   LYS  32          1HZ       LYS  32  -3.790  -9.924   2.719
  232   2HZ   LYS  32          2HZ       LYS  32  -4.615  -8.694   1.886
  233   3HZ   LYS  32          3HZ       LYS  32  -4.036  -8.418   3.460
  234    H    TYR  33           H        TYR  33   1.239  -6.330   2.079
  235    HA   TYR  33           HA       TYR  33   3.417  -5.563   0.301
  236   1HB   TYR  33          2HB       TYR  33   3.699  -6.830   2.410
  237   2HB   TYR  33          1HB       TYR  33   2.753  -8.158   1.738
  238    HD1  TYR  33           HD1      TYR  33   5.770  -6.060   0.981
  239    HD2  TYR  33           HD2      TYR  33   3.847  -9.880   0.597
  240    HE1  TYR  33           HE1      TYR  33   7.811  -6.980  -0.082
  241    HE2  TYR  33           HE2      TYR  33   5.888 -10.801  -0.467
  242    HH   TYR  33           HH       TYR  33   8.033  -9.347  -1.888
  243    H    GLU  34           H        GLU  34   3.661  -6.142  -1.831
  244    HA   GLU  34           HA       GLU  34   1.489  -7.334  -3.309
  245   1HB   GLU  34          2HB       GLU  34   3.219  -7.256  -5.170
  246   2HB   GLU  34          1HB       GLU  34   2.950  -5.724  -4.343
  247   1HG   GLU  34          2HG       GLU  34   5.091  -5.639  -3.634
  248   2HG   GLU  34          1HG       GLU  34   5.022  -7.291  -3.021
  249    H    ILE  35           H        ILE  35   1.002  -9.449  -2.766
  250    HA   ILE  35           HA       ILE  35   3.126 -11.482  -2.457
  251    HB   ILE  35           HB       ILE  35   0.094 -11.626  -2.264
  252   1HG1  ILE  35          1HG1      ILE  35   2.002 -11.693   0.065
  253   2HG1  ILE  35          2HG1      ILE  35   1.540 -10.141  -0.630
  254   1HG2  ILE  35          1HG2      ILE  35   2.303 -13.604  -1.848
  255   2HG2  ILE  35          2HG2      ILE  35   0.922 -13.660  -0.752
  256   3HG2  ILE  35          3HG2      ILE  35   0.679 -13.855  -2.488
  257   1HD1  ILE  35          1HD1      ILE  35  -0.745 -11.931  -0.220
  258   2HD1  ILE  35          2HD1      ILE  35   0.094 -11.527   1.277
  259   3HD1  ILE  35          3HD1      ILE  35  -0.543 -10.244   0.249
  260   1HN   NH2  36          1HN       NH2  36   2.375 -11.387  -6.183
  261   2HN   NH2  36          2HN       NH2  36   2.779 -10.161  -4.962
  Start of MODEL   13
    1   1H    GLU   1          1H        GLU   1   9.724   7.570   3.779
    2   2H    GLU   1          2H        GLU   1  10.710   8.859   3.279
    3   3H    GLU   1          3H        GLU   1  10.553   7.477   2.303
    4    HA   GLU   1           HA       GLU   1   8.381   9.421   2.928
    5   1HB   GLU   1          2HB       GLU   1  10.319   8.950   0.674
    6   2HB   GLU   1          1HB       GLU   1   8.734   9.638   0.319
    7   1HG   GLU   1          2HG       GLU   1   9.222  11.331   2.185
    8   2HG   GLU   1          1HG       GLU   1  10.892  10.765   2.112
    9    H    CYS   2           H        CYS   2   7.464   7.123   3.639
   10    HA   CYS   2           HA       CYS   2   5.847   6.130   1.368
   11   1HB   CYS   2          2HB       CYS   2   6.606   3.828   1.668
   12   2HB   CYS   2          1HB       CYS   2   8.009   4.855   1.384
   13    H    LEU   3           H        LEU   3   4.398   4.211   2.342
   14    HA   LEU   3           HA       LEU   3   3.379   5.185   4.986
   15   1HB   LEU   3          2HB       LEU   3   2.075   3.765   2.643
   16   2HB   LEU   3          1HB       LEU   3   1.242   4.141   4.151
   17    HG   LEU   3           HG       LEU   3   2.610   6.230   2.434
   18   1HD1  LEU   3          1HD1      LEU   3  -0.360   5.683   2.620
   19   2HD1  LEU   3          2HD1      LEU   3   0.649   5.039   1.325
   20   3HD1  LEU   3          3HD1      LEU   3   0.468   6.783   1.518
   21   1HD2  LEU   3          1HD2      LEU   3   0.730   6.321   4.809
   22   2HD2  LEU   3          2HD2      LEU   3   1.072   7.727   3.801
   23   3HD2  LEU   3          3HD2      LEU   3   2.371   6.959   4.714
   24    H    GLY   4           H        GLY   4   3.110   3.704   6.657
   25   1HA   GLY   4          2HA       GLY   4   4.573   1.203   6.508
   26   2HA   GLY   4          1HA       GLY   4   3.637   1.771   7.890
   27    H    PHE   5           H        PHE   5   3.270  -0.783   7.597
   28    HA   PHE   5           HA       PHE   5   1.313  -1.606   5.621
   29   1HB   PHE   5          2HB       PHE   5   2.809  -3.217   6.582
   30   2HB   PHE   5          1HB       PHE   5   2.378  -2.737   8.222
   31    HD1  PHE   5           HD1      PHE   5   0.786  -3.986   9.378
   32    HD2  PHE   5           HD2      PHE   5   0.780  -4.044   5.083
   33    HE1  PHE   5           HE1      PHE   5  -1.032  -5.670   9.404
   34    HE2  PHE   5           HE2      PHE   5  -1.039  -5.729   5.110
   35    HZ   PHE   5           HZ       PHE   5  -1.945  -6.541   7.269
   36    H    GLY   6           H        GLY   6  -0.886  -1.405   5.722
   37   1HA   GLY   6          2HA       GLY   6  -3.041  -1.228   6.681
   38   2HA   GLY   6          1HA       GLY   6  -2.299  -1.197   8.280
   39    H    LYS   7           H        LYS   7  -1.516   0.959   5.562
   40    HA   LYS   7           HA       LYS   7  -2.549   3.256   7.200
   41   1HB   LYS   7          2HB       LYS   7  -0.005   2.682   5.782
   42   2HB   LYS   7          1HB       LYS   7  -0.627   4.320   5.582
   43   1HG   LYS   7          2HG       LYS   7  -0.985   4.111   8.220
   44   2HG   LYS   7          1HG       LYS   7   0.325   2.942   8.056
   45   1HD   LYS   7          2HD       LYS   7   1.543   4.894   8.353
   46   2HD   LYS   7          1HD       LYS   7   1.420   4.859   6.594
   47   1HE   LYS   7          2HE       LYS   7  -0.435   6.423   6.622
   48   2HE   LYS   7          1HE       LYS   7  -0.526   6.347   8.393
   49   1HZ   LYS   7          1HZ       LYS   7   1.662   7.243   8.572
   50   2HZ   LYS   7          2HZ       LYS   7   0.782   8.265   7.539
   51   3HZ   LYS   7          3HZ       LYS   7   1.906   7.166   6.895
   52    H    GLY   8           H        GLY   8  -3.713   4.858   6.062
   53   1HA   GLY   8          2HA       GLY   8  -5.261   4.146   3.830
   54   2HA   GLY   8          1HA       GLY   8  -4.957   5.814   4.314
   55    H    CYS   9           H        CYS   9  -4.683   3.798   1.749
   56    HA   CYS   9           HA       CYS   9  -2.532   5.461   0.518
   57   1HB   CYS   9          2HB       CYS   9  -1.320   3.564   1.260
   58   2HB   CYS   9          1HB       CYS   9  -2.645   2.465   0.885
   59    H    ASN  10           H        ASN  10  -2.741   5.615  -1.781
   60    HA   ASN  10           HA       ASN  10  -5.398   4.758  -2.847
   61   1HB   ASN  10          2HB       ASN  10  -3.431   6.961  -3.323
   62   2HB   ASN  10          1HB       ASN  10  -4.416   6.448  -4.693
   63   1HD2  ASN  10          1HD2      ASN  10  -6.203   7.816  -4.855
   64   2HD2  ASN  10          2HD2      ASN  10  -7.119   8.381  -3.542
   65    HA   PRO  11           HA       PRO  11  -3.295   1.676  -5.239
   66   1HB   PRO  11          2HB       PRO  11  -5.251   1.213  -7.102
   67   2HB   PRO  11          1HB       PRO  11  -5.329   0.604  -5.437
   68   1HG   PRO  11          2HG       PRO  11  -6.661   2.980  -6.646
   69   2HG   PRO  11          1HG       PRO  11  -7.292   1.802  -5.484
   70   1HD   PRO  11          2HD       PRO  11  -6.428   4.273  -4.765
   71   2HD   PRO  11          1HD       PRO  11  -6.332   2.861  -3.688
   72    H    SER  12           H        SER  12  -4.730   4.533  -6.783
   73    HA   SER  12           HA       SER  12  -3.404   4.224  -9.344
   74   1HB   SER  12          2HB       SER  12  -4.736   6.494  -7.853
   75   2HB   SER  12          1HB       SER  12  -4.073   6.700  -9.472
   76    HG   SER  12           HG       SER  12  -6.271   5.219  -8.588
   77    H    ASN  13           H        ASN  13  -2.652   6.075  -6.376
   78    HA   ASN  13           HA       ASN  13  -0.156   7.129  -7.545
   79   1HB   ASN  13          2HB       ASN  13  -1.986   8.032  -5.734
   80   2HB   ASN  13          1HB       ASN  13  -0.743   7.402  -4.653
   81   1HD2  ASN  13          1HD2      ASN  13  -1.258   9.697  -7.359
   82   2HD2  ASN  13          2HD2      ASN  13   0.102  10.652  -7.013
   83    H    ASP  14           H        ASP  14  -1.145   4.794  -5.058
   84    HA   ASP  14           HA       ASP  14   0.034   3.070  -3.979
   85   1HB   ASP  14          2HB       ASP  14   0.547   2.866  -6.575
   86   2HB   ASP  14          1HB       ASP  14   2.174   3.325  -6.070
   87    H    GLN  15           H        GLN  15   0.570   4.459  -2.161
   88    HA   GLN  15           HA       GLN  15   3.343   5.597  -2.197
   89   1HB   GLN  15          2HB       GLN  15   0.769   6.236  -0.763
   90   2HB   GLN  15          1HB       GLN  15   2.311   6.816  -0.130
   91   1HG   GLN  15          2HG       GLN  15   2.588   7.504  -2.740
   92   2HG   GLN  15          1HG       GLN  15   0.838   7.640  -2.571
   93   1HE2  GLN  15          1HE2      GLN  15   3.910   9.066  -1.628
   94   2HE2  GLN  15          2HE2      GLN  15   3.253  10.374  -0.768
   95    H    CYS  16           H        CYS  16   2.474   2.701  -1.591
   96    HA   CYS  16           HA       CYS  16   2.907   2.366   1.288
   97   1HB   CYS  16          2HB       CYS  16   2.732   0.518  -1.107
   98   2HB   CYS  16          1HB       CYS  16   2.976  -0.078   0.534
   99    H    CYS  17           H        CYS  17   4.786   1.263   2.202
  100    HA   CYS  17           HA       CYS  17   7.316   2.119   1.010
  101   1HB   CYS  17          2HB       CYS  17   6.333   1.645   3.537
  102   2HB   CYS  17          1HB       CYS  17   7.343   0.224   3.273
  103    H    LYS  18           H        LYS  18   8.367   0.940  -0.528
  104    HA   LYS  18           HA       LYS  18   7.670  -1.823  -1.143
  105   1HB   LYS  18          2HB       LYS  18   8.398  -0.074  -2.780
  106   2HB   LYS  18          1HB       LYS  18  10.002  -0.098  -2.046
  107   1HG   LYS  18          2HG       LYS  18  10.577  -1.995  -3.129
  108   2HG   LYS  18          1HG       LYS  18   9.053  -2.780  -2.716
  109   1HD   LYS  18          2HD       LYS  18   8.224  -0.919  -4.552
  110   2HD   LYS  18          1HD       LYS  18   9.819  -1.342  -5.174
  111   1HE   LYS  18          2HE       LYS  18   7.920  -3.528  -4.325
  112   2HE   LYS  18          1HE       LYS  18   7.773  -2.791  -5.933
  113   1HZ   LYS  18          1HZ       LYS  18   9.313  -4.653  -5.994
  114   2HZ   LYS  18          2HZ       LYS  18  10.254  -3.951  -4.767
  115   3HZ   LYS  18          3HZ       LYS  18  10.139  -3.202  -6.289
  116    H    SER  19           H        SER  19  10.111  -0.241   0.838
  117    HA   SER  19           HA       SER  19  12.091  -2.277   1.003
  118   1HB   SER  19          2HB       SER  19  11.055  -0.167   2.907
  119   2HB   SER  19          1HB       SER  19  12.451  -1.169   3.293
  120    HG   SER  19           HG       SER  19  12.184   0.913   1.513
  121    H    SER  20           H        SER  20   8.992  -1.907   2.722
  122    HA   SER  20           HA       SER  20   9.510  -4.404   4.267
  123   1HB   SER  20          2HB       SER  20   8.660  -2.189   5.245
  124   2HB   SER  20          1HB       SER  20   7.146  -2.516   4.406
  125    HG   SER  20           HG       SER  20   8.079  -3.538   6.714
  126    H    ASN  21           H        ASN  21   8.752  -4.169   1.251
  127    HA   ASN  21           HA       ASN  21   7.361  -5.303  -0.273
  128   1HB   ASN  21          2HB       ASN  21   8.255  -6.984   1.748
  129   2HB   ASN  21          1HB       ASN  21   6.521  -7.304   1.711
  130   1HD2  ASN  21          1HD2      ASN  21   9.348  -7.038  -0.517
  131   2HD2  ASN  21          2HD2      ASN  21   8.765  -8.185  -1.624
  132    H    LEU  22           H        LEU  22   5.956  -3.191   0.449
  133    HA   LEU  22           HA       LEU  22   3.276  -4.212   1.348
  134   1HB   LEU  22          2HB       LEU  22   4.679  -1.552   1.738
  135   2HB   LEU  22          1HB       LEU  22   2.983  -1.819   2.137
  136    HG   LEU  22           HG       LEU  22   5.267  -3.462   3.267
  137   1HD1  LEU  22          1HD1      LEU  22   4.921  -2.180   5.335
  138   2HD1  LEU  22          2HD1      LEU  22   3.687  -1.205   4.537
  139   3HD1  LEU  22          3HD1      LEU  22   5.368  -1.100   4.015
  140   1HD2  LEU  22          1HD2      LEU  22   3.440  -4.065   4.933
  141   2HD2  LEU  22          2HD2      LEU  22   3.200  -4.696   3.305
  142   3HD2  LEU  22          3HD2      LEU  22   2.296  -3.281   3.844
  143    H    VAL  23           H        VAL  23   1.603  -3.883  -0.056
  144    HA   VAL  23           HA       VAL  23   2.028  -2.032  -2.384
  145    HB   VAL  23           HB       VAL  23   0.650  -3.702  -3.660
  146   1HG1  VAL  23          1HG1      VAL  23   3.185  -3.725  -3.574
  147   2HG1  VAL  23          2HG1      VAL  23   2.438  -5.268  -3.987
  148   3HG1  VAL  23          3HG1      VAL  23   3.057  -4.996  -2.358
  149   1HG2  VAL  23          1HG2      VAL  23   1.095  -5.551  -1.306
  150   2HG2  VAL  23          2HG2      VAL  23   0.079  -5.818  -2.723
  151   3HG2  VAL  23          3HG2      VAL  23  -0.400  -4.636  -1.504
  152    H    CYS  24           H        CYS  24   0.030  -1.012  -3.174
  153    HA   CYS  24           HA       CYS  24  -1.813  -0.343  -1.000
  154   1HB   CYS  24          2HB       CYS  24  -0.807   1.030  -3.054
  155   2HB   CYS  24          1HB       CYS  24  -2.271   0.447  -3.848
  156    H    SER  25           H        SER  25  -4.098  -0.732  -1.013
  157    HA   SER  25           HA       SER  25  -4.954  -3.051  -2.720
  158   1HB   SER  25          2HB       SER  25  -5.639  -2.160   0.092
  159   2HB   SER  25          1HB       SER  25  -6.524  -3.431  -0.747
  160    HG   SER  25           HG       SER  25  -4.848  -4.315   0.490
  161    H    ARG  26           H        ARG  26  -7.428  -3.087  -3.000
  162    HA   ARG  26           HA       ARG  26  -8.374  -0.336  -3.709
  163   1HB   ARG  26          2HB       ARG  26  -8.087  -2.242  -5.406
  164   2HB   ARG  26          1HB       ARG  26  -9.461  -3.014  -4.613
  165   1HG   ARG  26          2HG       ARG  26 -10.855  -1.041  -5.065
  166   2HG   ARG  26          1HG       ARG  26  -9.485  -0.234  -5.828
  167   1HD   ARG  26          2HD       ARG  26 -10.123  -2.940  -6.885
  168   2HD   ARG  26          1HD       ARG  26 -11.305  -1.666  -7.242
  169    HE   ARG  26           HE       ARG  26  -9.172  -0.310  -7.944
  170   1HH1  ARG  26          2HH1      ARG  26  -7.287  -2.603  -7.618
  171   2HH1  ARG  26          1HH1      ARG  26  -7.231  -3.269  -9.216
  172   1HH2  ARG  26          1HH2      ARG  26 -10.111  -1.645 -10.281
  173   2HH2  ARG  26          2HH2      ARG  26  -8.832  -2.726 -10.726
  174    H    LYS  27           H        LYS  27  -9.602  -3.441  -2.381
  175    HA   LYS  27           HA       LYS  27 -12.132  -2.408  -1.481
  176   1HB   LYS  27          2HB       LYS  27 -11.544  -4.797  -1.874
  177   2HB   LYS  27          1HB       LYS  27 -10.462  -4.743  -0.483
  178   1HG   LYS  27          2HG       LYS  27 -12.380  -5.583   0.519
  179   2HG   LYS  27          1HG       LYS  27 -12.631  -3.854   0.758
  180   1HD   LYS  27          2HD       LYS  27 -13.646  -4.395  -1.809
  181   2HD   LYS  27          1HD       LYS  27 -14.205  -5.728  -0.799
  182   1HE   LYS  27          2HE       LYS  27 -14.433  -2.917   0.252
  183   2HE   LYS  27          1HE       LYS  27 -15.635  -3.515  -0.907
  184   1HZ   LYS  27          1HZ       LYS  27 -15.939  -5.478   0.492
  185   2HZ   LYS  27          2HZ       LYS  27 -16.303  -4.056   1.348
  186   3HZ   LYS  27          3HZ       LYS  27 -14.833  -4.862   1.622
  187    H    HIS  28           H        HIS  28  -9.000  -2.881   0.191
  188    HA   HIS  28           HA       HIS  28 -10.052  -1.625   2.662
  189   1HB   HIS  28          2HB       HIS  28  -7.377  -2.812   1.856
  190   2HB   HIS  28          1HB       HIS  28  -7.746  -2.213   3.473
  191    HD1  HIS  28           HD1      HIS  28 -10.564  -3.307   3.892
  192    HD2  HIS  28           HD2      HIS  28  -7.489  -5.561   2.204
  193    HE1  HIS  28           HE1      HIS  28 -11.195  -5.738   4.218
  194    H    ARG  29           H        ARG  29  -8.189  -0.753  -0.168
  195    HA   ARG  29           HA       ARG  29  -7.136   1.255  -0.805
  196   1HB   ARG  29          2HB       ARG  29  -9.305   2.008   1.141
  197   2HB   ARG  29          1HB       ARG  29  -8.243   3.262   0.501
  198   1HG   ARG  29          2HG       ARG  29  -8.840   1.960  -1.796
  199   2HG   ARG  29          1HG       ARG  29 -10.318   1.652  -0.884
  200   1HD   ARG  29          2HD       ARG  29 -10.873   3.710  -1.808
  201   2HD   ARG  29          1HD       ARG  29 -10.051   4.279  -0.341
  202    HE   ARG  29           HE       ARG  29  -7.965   4.465  -1.717
  203   1HH1  ARG  29          1HH2      ARG  29  -8.934   2.855  -4.071
  204   2HH1  ARG  29          2HH2      ARG  29  -9.311   4.094  -5.220
  205   1HH2  ARG  29          2HH1      ARG  29  -9.351   6.641  -2.855
  206   2HH2  ARG  29          1HH1      ARG  29  -9.549   6.245  -4.529
  207    H    TRP  30           H        TRP  30  -5.577  -0.220   0.956
  208    HA   TRP  30           HA       TRP  30  -4.130   1.934   2.382
  209   1HB   TRP  30          2HB       TRP  30  -4.236   0.823   4.511
  210   2HB   TRP  30          1HB       TRP  30  -5.881   0.905   3.899
  211    HD1  TRP  30           HD1      TRP  30  -4.758  -1.701   1.831
  212    HE1  TRP  30           HE1      TRP  30  -5.066  -4.040   2.863
  213    HE3  TRP  30           HE3      TRP  30  -5.424  -0.416   6.723
  214    HZ2  TRP  30           HZ2      TRP  30  -5.535  -5.213   5.426
  215    HZ3  TRP  30           HZ3      TRP  30  -5.801  -2.163   8.439
  216    HH2  TRP  30           HH2      TRP  30  -5.857  -4.558   7.798
  217    H    CYS  31           H        CYS  31  -2.185   0.524   3.645
  218    HA   CYS  31           HA       CYS  31  -0.744  -0.732   1.381
  219   1HB   CYS  31          2HB       CYS  31  -0.044   0.332   4.117
  220   2HB   CYS  31          1HB       CYS  31   1.125  -0.596   3.178
  221    H    LYS  32           H        LYS  32  -1.003  -2.901   1.146
  222    HA   LYS  32           HA       LYS  32  -1.248  -4.611   3.600
  223   1HB   LYS  32          2HB       LYS  32  -3.144  -4.484   1.914
  224   2HB   LYS  32          1HB       LYS  32  -2.053  -5.214   0.736
  225   1HG   LYS  32          2HG       LYS  32  -1.763  -7.173   2.201
  226   2HG   LYS  32          1HG       LYS  32  -2.832  -6.443   3.399
  227   1HD   LYS  32          2HD       LYS  32  -4.436  -7.656   2.317
  228   2HD   LYS  32          1HD       LYS  32  -4.414  -6.296   1.195
  229   1HE   LYS  32          2HE       LYS  32  -4.123  -8.099  -0.276
  230   2HE   LYS  32          1HE       LYS  32  -2.435  -7.677   0.069
  231   1HZ   LYS  32          1HZ       LYS  32  -4.031  -9.655   1.615
  232   2HZ   LYS  32          2HZ       LYS  32  -2.385  -9.290   1.833
  233   3HZ   LYS  32          3HZ       LYS  32  -2.907 -10.061   0.413
  234    H    TYR  33           H        TYR  33   0.058  -6.553   3.643
  235    HA   TYR  33           HA       TYR  33   2.674  -6.323   2.452
  236   1HB   TYR  33          2HB       TYR  33   1.461  -7.708   4.519
  237   2HB   TYR  33          1HB       TYR  33   1.823  -8.990   3.362
  238    HD1  TYR  33           HD1      TYR  33   3.217  -6.514   5.663
  239    HD2  TYR  33           HD2      TYR  33   4.160  -9.371   2.597
  240    HE1  TYR  33           HE1      TYR  33   5.604  -6.441   6.329
  241    HE2  TYR  33           HE2      TYR  33   6.547  -9.298   3.264
  242    HH   TYR  33           HH       TYR  33   7.988  -7.137   4.689
  243    H    GLU  34           H        GLU  34   3.516  -7.316   0.608
  244    HA   GLU  34           HA       GLU  34   1.689  -8.175  -1.464
  245   1HB   GLU  34          2HB       GLU  34   4.145  -7.108  -1.427
  246   2HB   GLU  34          1HB       GLU  34   4.616  -8.803  -1.542
  247   1HG   GLU  34          2HG       GLU  34   2.511  -7.678  -3.380
  248   2HG   GLU  34          1HG       GLU  34   4.221  -7.471  -3.749
  249    H    ILE  35           H        ILE  35   0.600 -10.089  -1.136
  250    HA   ILE  35           HA       ILE  35   2.189 -12.577  -0.965
  251    HB   ILE  35           HB       ILE  35   1.841 -11.821   1.376
  252   1HG1  ILE  35          1HG1      ILE  35  -0.032 -14.038   1.459
  253   2HG1  ILE  35          2HG1      ILE  35   1.240 -14.344   0.277
  254   1HG2  ILE  35          1HG2      ILE  35  -0.458 -10.735   0.633
  255   2HG2  ILE  35          2HG2      ILE  35  -1.105 -12.308   1.097
  256   3HG2  ILE  35          3HG2      ILE  35  -0.239 -11.327   2.280
  257   1HD1  ILE  35          1HD1      ILE  35   2.870 -13.549   2.133
  258   2HD1  ILE  35          2HD1      ILE  35   1.515 -13.808   3.232
  259   3HD1  ILE  35          3HD1      ILE  35   2.158 -15.155   2.293
  260   1HN   NH2  36          1HN       NH2  36  -0.789 -12.077  -3.238
  261   2HN   NH2  36          2HN       NH2  36   0.566 -11.068  -2.686
  Start of MODEL   14
    1   1H    GLU   1          1H        GLU   1  12.339   7.500  -0.097
    2   2H    GLU   1          2H        GLU   1  11.456   6.914  -1.426
    3   3H    GLU   1          3H        GLU   1  11.649   5.953  -0.039
    4    HA   GLU   1           HA       GLU   1  10.350   7.564   1.265
    5   1HB   GLU   1          2HB       GLU   1  11.153   9.255  -0.688
    6   2HB   GLU   1          1HB       GLU   1   9.532   8.885  -1.277
    7   1HG   GLU   1          2HG       GLU   1   8.602   9.497   0.941
    8   2HG   GLU   1          1HG       GLU   1  10.225   9.917   1.490
    9    H    CYS   2           H        CYS   2   8.688   6.160   1.681
   10    HA   CYS   2           HA       CYS   2   6.768   5.513  -0.503
   11   1HB   CYS   2          2HB       CYS   2   6.916   3.098   0.161
   12   2HB   CYS   2          1HB       CYS   2   8.419   3.716  -0.519
   13    H    LEU   3           H        LEU   3   4.785   4.384   0.462
   14    HA   LEU   3           HA       LEU   3   3.984   5.786   2.934
   15   1HB   LEU   3          2HB       LEU   3   2.581   3.981   0.937
   16   2HB   LEU   3          1HB       LEU   3   1.767   4.732   2.309
   17    HG   LEU   3           HG       LEU   3   3.347   6.379   0.332
   18   1HD1  LEU   3          1HD1      LEU   3   1.539   4.985  -0.800
   19   2HD1  LEU   3          2HD1      LEU   3   1.370   6.732  -0.974
   20   3HD1  LEU   3          3HD1      LEU   3   0.369   5.860   0.187
   21   1HD2  LEU   3          1HD2      LEU   3   2.424   7.112   2.707
   22   2HD2  LEU   3          2HD2      LEU   3   0.897   7.242   1.835
   23   3HD2  LEU   3          3HD2      LEU   3   2.288   8.198   1.325
   24    H    GLY   4           H        GLY   4   3.779   4.800   4.926
   25   1HA   GLY   4          2HA       GLY   4   4.886   2.159   5.341
   26   2HA   GLY   4          1HA       GLY   4   4.122   3.159   6.575
   27    H    PHE   5           H        PHE   5   3.483   0.618   6.857
   28    HA   PHE   5           HA       PHE   5   1.308  -0.393   5.253
   29   1HB   PHE   5          2HB       PHE   5   2.637  -1.894   6.561
   30   2HB   PHE   5          1HB       PHE   5   2.392  -0.945   8.026
   31    HD1  PHE   5           HD1      PHE   5   0.962  -1.917   9.574
   32    HD2  PHE   5           HD2      PHE   5   0.198  -2.493   5.385
   33    HE1  PHE   5           HE1      PHE   5  -1.046  -3.264  10.124
   34    HE2  PHE   5           HE2      PHE   5  -1.810  -3.839   5.939
   35    HZ   PHE   5           HZ       PHE   5  -2.431  -4.224   8.307
   36    H    GLY   6           H        GLY   6  -0.879  -0.002   5.415
   37   1HA   GLY   6          2HA       GLY   6  -2.928   0.742   6.310
   38   2HA   GLY   6          1HA       GLY   6  -2.108   1.040   7.841
   39    H    LYS   7           H        LYS   7  -1.333   2.379   4.625
   40    HA   LYS   7           HA       LYS   7  -1.956   5.108   5.717
   41   1HB   LYS   7          2HB       LYS   7   0.525   4.029   5.166
   42   2HB   LYS   7          1HB       LYS   7   0.154   4.888   3.671
   43   1HG   LYS   7          2HG       LYS   7  -0.403   6.302   6.239
   44   2HG   LYS   7          1HG       LYS   7   1.285   6.124   5.761
   45   1HD   LYS   7          2HD       LYS   7   1.081   7.685   4.148
   46   2HD   LYS   7          1HD       LYS   7  -0.378   6.927   3.510
   47   1HE   LYS   7          2HE       LYS   7  -1.797   8.209   4.855
   48   2HE   LYS   7          1HE       LYS   7  -0.541   8.497   6.076
   49   1HZ   LYS   7          1HZ       LYS   7  -0.891  10.453   4.667
   50   2HZ   LYS   7          2HZ       LYS   7  -0.494   9.540   3.290
   51   3HZ   LYS   7          3HZ       LYS   7   0.677   9.832   4.487
   52    H    GLY   8           H        GLY   8  -3.154   6.416   4.355
   53   1HA   GLY   8          2HA       GLY   8  -4.655   5.377   2.211
   54   2HA   GLY   8          1HA       GLY   8  -4.386   7.097   2.479
   55    H    CYS   9           H        CYS   9  -4.057   4.788   0.194
   56    HA   CYS   9           HA       CYS   9  -1.933   6.326  -1.224
   57   1HB   CYS   9          2HB       CYS   9  -0.617   4.379  -1.607
   58   2HB   CYS   9          1HB       CYS   9  -1.052   4.294   0.099
   59    H    ASN  10           H        ASN  10  -1.750   5.199  -3.567
   60    HA   ASN  10           HA       ASN  10  -4.559   4.930  -4.578
   61   1HB   ASN  10          2HB       ASN  10  -2.146   6.360  -5.363
   62   2HB   ASN  10          1HB       ASN  10  -2.762   5.380  -6.694
   63   1HD2  ASN  10          1HD2      ASN  10  -4.302   6.448  -7.938
   64   2HD2  ASN  10          2HD2      ASN  10  -5.342   7.665  -7.373
   65    HA   PRO  11           HA       PRO  11  -3.570   0.737  -5.621
   66   1HB   PRO  11          2HB       PRO  11  -5.595   0.279  -7.405
   67   2HB   PRO  11          1HB       PRO  11  -5.844   0.335  -5.648
   68   1HG   PRO  11          2HG       PRO  11  -6.391   2.415  -7.704
   69   2HG   PRO  11          1HG       PRO  11  -7.320   1.980  -6.261
   70   1HD   PRO  11          2HD       PRO  11  -5.680   4.158  -6.404
   71   2HD   PRO  11          1HD       PRO  11  -6.059   3.306  -4.890
   72    H    SER  12           H        SER  12  -4.089   3.178  -8.151
   73    HA   SER  12           HA       SER  12  -2.832   1.594 -10.269
   74   1HB   SER  12          2HB       SER  12  -3.071   3.771 -11.495
   75   2HB   SER  12          1HB       SER  12  -4.571   3.235 -10.744
   76    HG   SER  12           HG       SER  12  -2.937   5.396 -10.159
   77    H    ASN  13           H        ASN  13  -1.827   4.224  -8.081
   78    HA   ASN  13           HA       ASN  13   0.833   4.460  -9.307
   79   1HB   ASN  13          2HB       ASN  13  -0.613   5.630  -6.927
   80   2HB   ASN  13          1HB       ASN  13   1.096   5.959  -7.204
   81   1HD2  ASN  13          1HD2      ASN  13   1.618   7.549  -8.764
   82   2HD2  ASN  13          2HD2      ASN  13   0.476   8.299  -9.770
   83    H    ASP  14           H        ASP  14  -0.525   3.153  -6.284
   84    HA   ASP  14           HA       ASP  14   0.372   1.689  -4.677
   85   1HB   ASP  14          2HB       ASP  14   0.906   0.766  -7.318
   86   2HB   ASP  14          1HB       ASP  14   2.336   0.409  -6.349
   87    H    GLN  15           H        GLN  15   1.400   3.730  -3.750
   88    HA   GLN  15           HA       GLN  15   4.355   3.869  -4.152
   89   1HB   GLN  15          2HB       GLN  15   2.612   5.826  -4.246
   90   2HB   GLN  15          1HB       GLN  15   2.675   5.736  -2.486
   91   1HG   GLN  15          2HG       GLN  15   4.701   6.733  -2.415
   92   2HG   GLN  15          1HG       GLN  15   5.342   5.672  -3.669
   93   1HE2  GLN  15          1HE2      GLN  15   5.834   6.711  -5.608
   94   2HE2  GLN  15          2HE2      GLN  15   5.154   8.178  -6.123
   95    H    CYS  16           H        CYS  16   2.865   1.752  -2.480
   96    HA   CYS  16           HA       CYS  16   3.455   2.353   0.313
   97   1HB   CYS  16          2HB       CYS  16   2.780  -0.159  -1.247
   98   2HB   CYS  16          1HB       CYS  16   2.938  -0.126   0.509
   99    H    CYS  17           H        CYS  17   5.080   1.091   1.586
  100    HA   CYS  17           HA       CYS  17   7.701   1.130   0.349
  101   1HB   CYS  17          2HB       CYS  17   6.689   0.001   2.980
  102   2HB   CYS  17          1HB       CYS  17   8.385   0.263   2.584
  103    H    LYS  18           H        LYS  18   8.426  -0.437  -1.014
  104    HA   LYS  18           HA       LYS  18   7.196  -3.044  -1.286
  105   1HB   LYS  18          2HB       LYS  18   9.651  -1.636  -2.327
  106   2HB   LYS  18          1HB       LYS  18   9.372  -3.336  -2.705
  107   1HG   LYS  18          2HG       LYS  18   6.981  -2.529  -3.393
  108   2HG   LYS  18          1HG       LYS  18   7.734  -0.937  -3.487
  109   1HD   LYS  18          2HD       LYS  18   9.345  -1.714  -5.106
  110   2HD   LYS  18          1HD       LYS  18   8.824  -3.386  -4.896
  111   1HE   LYS  18          2HE       LYS  18   6.739  -1.391  -5.695
  112   2HE   LYS  18          1HE       LYS  18   7.903  -1.915  -6.927
  113   1HZ   LYS  18          1HZ       LYS  18   6.327  -3.730  -5.174
  114   2HZ   LYS  18          2HZ       LYS  18   7.430  -4.212  -6.374
  115   3HZ   LYS  18          3HZ       LYS  18   5.992  -3.419  -6.808
  116    H    SER  19           H        SER  19  10.013  -1.836   0.489
  117    HA   SER  19           HA       SER  19  11.366  -4.273   1.041
  118   1HB   SER  19          2HB       SER  19  11.025  -1.636   2.467
  119   2HB   SER  19          1HB       SER  19  12.044  -2.906   3.140
  120    HG   SER  19           HG       SER  19  12.401  -1.302   0.911
  121    H    SER  20           H        SER  20   8.569  -2.780   2.676
  122    HA   SER  20           HA       SER  20   8.494  -4.981   4.671
  123   1HB   SER  20          2HB       SER  20   8.194  -2.474   5.139
  124   2HB   SER  20          1HB       SER  20   6.627  -2.620   4.347
  125    HG   SER  20           HG       SER  20   7.498  -3.562   6.803
  126    H    ASN  21           H        ASN  21   7.735  -5.173   1.639
  127    HA   ASN  21           HA       ASN  21   6.073  -6.226   0.339
  128   1HB   ASN  21          2HB       ASN  21   6.353  -7.518   2.946
  129   2HB   ASN  21          1HB       ASN  21   4.752  -7.784   2.257
  130   1HD2  ASN  21          1HD2      ASN  21   8.073  -8.735   2.062
  131   2HD2  ASN  21          2HD2      ASN  21   7.935  -9.708   0.677
  132    H    LEU  22           H        LEU  22   5.141  -3.801   0.566
  133    HA   LEU  22           HA       LEU  22   2.396  -3.995   1.767
  134   1HB   LEU  22          2HB       LEU  22   4.306  -1.678   1.358
  135   2HB   LEU  22          1HB       LEU  22   2.627  -1.464   1.851
  136    HG   LEU  22           HG       LEU  22   4.649  -3.160   3.349
  137   1HD1  LEU  22          1HD1      LEU  22   5.105  -0.674   3.358
  138   2HD1  LEU  22          2HD1      LEU  22   4.774  -1.356   4.950
  139   3HD1  LEU  22          3HD1      LEU  22   3.522  -0.449   4.101
  140   1HD2  LEU  22          1HD2      LEU  22   1.859  -2.202   4.074
  141   2HD2  LEU  22          2HD2      LEU  22   2.920  -3.153   5.113
  142   3HD2  LEU  22          3HD2      LEU  22   2.286  -3.852   3.624
  143    H    VAL  23           H        VAL  23   0.719  -3.834   0.360
  144    HA   VAL  23           HA       VAL  23   1.218  -2.687  -2.370
  145    HB   VAL  23           HB       VAL  23  -0.456  -4.445  -3.121
  146   1HG1  VAL  23          1HG1      VAL  23   2.009  -5.584  -1.778
  147   2HG1  VAL  23          2HG1      VAL  23   2.044  -4.698  -3.302
  148   3HG1  VAL  23          3HG1      VAL  23   1.172  -6.227  -3.191
  149   1HG2  VAL  23          1HG2      VAL  23   0.116  -5.733  -0.441
  150   2HG2  VAL  23          2HG2      VAL  23  -1.046  -6.244  -1.664
  151   3HG2  VAL  23          3HG2      VAL  23  -1.337  -4.776  -0.733
  152    H    CYS  24           H        CYS  24  -0.482  -1.371  -3.178
  153    HA   CYS  24           HA       CYS  24  -2.234  -0.151  -1.218
  154   1HB   CYS  24          2HB       CYS  24  -1.718   0.037  -4.167
  155   2HB   CYS  24          1HB       CYS  24  -3.151   0.825  -3.507
  156    H    SER  25           H        SER  25  -4.333  -0.675  -0.721
  157    HA   SER  25           HA       SER  25  -5.547  -3.058  -1.984
  158   1HB   SER  25          2HB       SER  25  -5.358  -2.497   0.524
  159   2HB   SER  25          1HB       SER  25  -6.637  -1.320   0.242
  160    HG   SER  25           HG       SER  25  -6.753  -4.041   0.417
  161    H    ARG  26           H        ARG  26  -8.007  -2.903  -2.373
  162    HA   ARG  26           HA       ARG  26  -8.575  -0.458  -3.996
  163   1HB   ARG  26          2HB       ARG  26  -9.635  -3.297  -3.928
  164   2HB   ARG  26          1HB       ARG  26 -10.379  -2.035  -4.911
  165   1HG   ARG  26          2HG       ARG  26  -7.533  -1.984  -5.327
  166   2HG   ARG  26          1HG       ARG  26  -8.116  -3.631  -5.558
  167   1HD   ARG  26          2HD       ARG  26  -8.461  -2.735  -7.695
  168   2HD   ARG  26          1HD       ARG  26 -10.033  -2.398  -6.944
  169    HE   ARG  26           HE       ARG  26  -7.819  -0.380  -6.905
  170   1HH1  ARG  26          2HH1      ARG  26  -9.557  -0.149  -9.283
  171   2HH1  ARG  26          1HH1      ARG  26 -10.809   0.922  -8.748
  172   1HH2  ARG  26          1HH2      ARG  26 -10.098   0.494  -5.375
  173   2HH2  ARG  26          2HH2      ARG  26 -11.115   1.287  -6.530
  174    H    LYS  27           H        LYS  27 -10.166  -2.663  -1.650
  175    HA   LYS  27           HA       LYS  27 -12.482  -0.958  -1.254
  176   1HB   LYS  27          2HB       LYS  27 -12.211  -3.478  -0.880
  177   2HB   LYS  27          1HB       LYS  27 -11.353  -3.071   0.605
  178   1HG   LYS  27          2HG       LYS  27 -13.810  -1.556   0.442
  179   2HG   LYS  27          1HG       LYS  27 -14.150  -3.276   0.252
  180   1HD   LYS  27          2HD       LYS  27 -12.295  -2.342   2.429
  181   2HD   LYS  27          1HD       LYS  27 -14.041  -2.269   2.665
  182   1HE   LYS  27          2HE       LYS  27 -14.167  -4.713   2.059
  183   2HE   LYS  27          1HE       LYS  27 -12.392  -4.744   2.039
  184   1HZ   LYS  27          1HZ       LYS  27 -14.093  -3.883   4.324
  185   2HZ   LYS  27          2HZ       LYS  27 -12.394  -3.863   4.299
  186   3HZ   LYS  27          3HZ       LYS  27 -13.229  -5.340   4.228
  187    H    HIS  28           H        HIS  28  -9.422  -1.459   0.527
  188    HA   HIS  28           HA       HIS  28 -10.154   0.612   2.515
  189   1HB   HIS  28          2HB       HIS  28  -7.940  -1.391   2.110
  190   2HB   HIS  28          1HB       HIS  28  -7.765  -0.101   3.301
  191    HD1  HIS  28           HD1      HIS  28  -9.531  -0.048   5.267
  192    HD2  HIS  28           HD2      HIS  28  -9.718  -3.441   2.852
  193    HE1  HIS  28           HE1      HIS  28 -10.947  -1.736   6.514
  194    H    ARG  29           H        ARG  29  -8.302   0.341  -0.441
  195    HA   ARG  29           HA       ARG  29  -6.950   1.889  -1.600
  196   1HB   ARG  29          2HB       ARG  29  -9.238   3.039  -1.073
  197   2HB   ARG  29          1HB       ARG  29  -8.308   3.990   0.084
  198   1HG   ARG  29          2HG       ARG  29  -6.840   3.903  -2.370
  199   2HG   ARG  29          1HG       ARG  29  -8.503   4.359  -2.743
  200   1HD   ARG  29          2HD       ARG  29  -8.368   6.104  -0.927
  201   2HD   ARG  29          1HD       ARG  29  -6.644   5.718  -0.760
  202    HE   ARG  29           HE       ARG  29  -7.100   6.121  -3.515
  203   1HH1  ARG  29          2HH1      ARG  29  -8.977   8.242  -2.491
  204   2HH1  ARG  29          1HH1      ARG  29  -7.929   9.615  -2.365
  205   1HH2  ARG  29          1HH2      ARG  29  -5.012   7.732  -2.523
  206   2HH2  ARG  29          2HH2      ARG  29  -5.678   9.325  -2.383
  207    H    TRP  30           H        TRP  30  -5.601   0.744   0.561
  208    HA   TRP  30           HA       TRP  30  -3.761   2.944   1.299
  209   1HB   TRP  30          2HB       TRP  30  -3.969   2.555   3.662
  210   2HB   TRP  30          1HB       TRP  30  -5.599   2.740   3.031
  211    HD1  TRP  30           HD1      TRP  30  -5.130  -0.503   1.844
  212    HE1  TRP  30           HE1      TRP  30  -5.758  -2.340   3.533
  213    HE3  TRP  30           HE3      TRP  30  -5.124   2.229   6.158
  214    HZ2  TRP  30           HZ2      TRP  30  -6.204  -2.618   6.342
  215    HZ3  TRP  30           HZ3      TRP  30  -5.657   1.152   8.325
  216    HH2  TRP  30           HH2      TRP  30  -6.196  -1.266   8.423
  217    H    CYS  31           H        CYS  31  -1.894   1.830   2.745
  218    HA   CYS  31           HA       CYS  31  -0.744  -0.249   1.060
  219   1HB   CYS  31          2HB       CYS  31   0.052   1.103   3.654
  220   2HB   CYS  31          1HB       CYS  31   1.074  -0.085   2.846
  221    H    LYS  32           H        LYS  32  -0.987  -2.417   1.332
  222    HA   LYS  32           HA       LYS  32  -1.956  -3.442   3.984
  223   1HB   LYS  32          2HB       LYS  32  -3.571  -3.444   2.037
  224   2HB   LYS  32          1HB       LYS  32  -2.471  -4.540   1.201
  225   1HG   LYS  32          2HG       LYS  32  -2.682  -5.864   3.535
  226   2HG   LYS  32          1HG       LYS  32  -4.250  -5.055   3.533
  227   1HD   LYS  32          2HD       LYS  32  -5.035  -6.307   1.804
  228   2HD   LYS  32          1HD       LYS  32  -3.496  -6.251   0.943
  229   1HE   LYS  32          2HE       LYS  32  -2.831  -7.818   3.097
  230   2HE   LYS  32          1HE       LYS  32  -4.517  -8.296   2.817
  231   1HZ   LYS  32          1HZ       LYS  32  -2.384  -8.143   0.747
  232   2HZ   LYS  32          2HZ       LYS  32  -4.008  -8.552   0.458
  233   3HZ   LYS  32          3HZ       LYS  32  -3.028  -9.570   1.400
  234    H    TYR  33           H        TYR  33  -0.746  -5.123   4.855
  235    HA   TYR  33           HA       TYR  33   1.846  -5.753   3.731
  236   1HB   TYR  33          2HB       TYR  33   0.765  -5.756   6.196
  237   2HB   TYR  33          1HB       TYR  33   0.576  -7.468   5.818
  238    HD1  TYR  33           HD1      TYR  33   2.643  -8.742   4.951
  239    HD2  TYR  33           HD2      TYR  33   2.859  -4.901   6.862
  240    HE1  TYR  33           HE1      TYR  33   5.048  -9.113   5.421
  241    HE2  TYR  33           HE2      TYR  33   5.265  -5.272   7.333
  242    HH   TYR  33           HH       TYR  33   6.724  -7.913   7.489
  243    H    GLU  34           H        GLU  34   2.403  -7.425   2.392
  244    HA   GLU  34           HA       GLU  34   0.263  -9.229   1.414
  245   1HB   GLU  34          2HB       GLU  34   2.162  -7.825   0.151
  246   2HB   GLU  34          1HB       GLU  34   3.095  -9.293   0.447
  247   1HG   GLU  34          2HG       GLU  34   0.824 -10.421  -0.453
  248   2HG   GLU  34          1HG       GLU  34   0.718  -8.877  -1.301
  249    H    ILE  35           H        ILE  35  -0.014 -11.053   2.656
  250    HA   ILE  35           HA       ILE  35   2.436 -12.461   3.676
  251    HB   ILE  35           HB       ILE  35  -0.413 -12.294   4.720
  252   1HG1  ILE  35          1HG1      ILE  35   1.584 -11.546   6.620
  253   2HG1  ILE  35          2HG1      ILE  35   1.937 -10.693   5.119
  254   1HG2  ILE  35          1HG2      ILE  35   1.894 -14.071   5.415
  255   2HG2  ILE  35          2HG2      ILE  35   0.874 -13.478   6.728
  256   3HG2  ILE  35          3HG2      ILE  35   0.166 -14.424   5.418
  257   1HD1  ILE  35          1HD1      ILE  35  -0.458  -9.962   5.033
  258   2HD1  ILE  35          2HD1      ILE  35  -0.700 -10.704   6.614
  259   3HD1  ILE  35          3HD1      ILE  35   0.406  -9.341   6.439
  260   1HN   NH2  36          1HN       NH2  36   1.535 -14.505   0.963
  261   2HN   NH2  36          2HN       NH2  36   2.356 -13.008   1.456
  Start of MODEL   15
    1   1H    GLU   1          1H        GLU   1   6.984   9.781   1.697
    2   2H    GLU   1          2H        GLU   1   5.810   9.267   0.582
    3   3H    GLU   1          3H        GLU   1   6.584  10.765   0.374
    4    HA   GLU   1           HA       GLU   1   7.526   9.181  -1.171
    5   1HB   GLU   1          2HB       GLU   1   9.073  10.192   1.209
    6   2HB   GLU   1          1HB       GLU   1   9.910   9.290  -0.055
    7   1HG   GLU   1          2HG       GLU   1   8.740  10.922  -1.701
    8   2HG   GLU   1          1HG       GLU   1   8.455  11.921  -0.276
    9    H    CYS   2           H        CYS   2   6.893   7.016  -1.274
   10    HA   CYS   2           HA       CYS   2   6.960   4.695  -0.876
   11   1HB   CYS   2          2HB       CYS   2   9.530   5.832  -0.429
   12   2HB   CYS   2          1HB       CYS   2   9.283   4.626   0.832
   13    H    LEU   3           H        LEU   3   5.027   4.882   0.503
   14    HA   LEU   3           HA       LEU   3   5.227   5.281   3.373
   15   1HB   LEU   3          2HB       LEU   3   3.088   4.024   1.616
   16   2HB   LEU   3          1HB       LEU   3   2.857   4.512   3.293
   17    HG   LEU   3           HG       LEU   3   3.589   6.352   0.992
   18   1HD1  LEU   3          1HD1      LEU   3   1.371   7.197   1.151
   19   2HD1  LEU   3          2HD1      LEU   3   1.080   6.364   2.678
   20   3HD1  LEU   3          3HD1      LEU   3   1.195   5.442   1.179
   21   1HD2  LEU   3          1HD2      LEU   3   3.282   6.788   3.968
   22   2HD2  LEU   3          2HD2      LEU   3   3.069   8.107   2.817
   23   3HD2  LEU   3          3HD2      LEU   3   4.618   7.272   2.924
   24    H    GLY   4           H        GLY   4   5.209   3.682   5.018
   25   1HA   GLY   4          2HA       GLY   4   6.432   1.132   4.319
   26   2HA   GLY   4          1HA       GLY   4   5.992   1.657   5.943
   27    H    PHE   5           H        PHE   5   5.211  -0.621   6.150
   28    HA   PHE   5           HA       PHE   5   2.855  -1.444   4.611
   29   1HB   PHE   5          2HB       PHE   5   4.390  -3.130   5.339
   30   2HB   PHE   5          1HB       PHE   5   4.399  -2.511   6.990
   31    HD1  PHE   5           HD1      PHE   5   3.095  -3.615   8.572
   32    HD2  PHE   5           HD2      PHE   5   1.944  -3.781   4.436
   33    HE1  PHE   5           HE1      PHE   5   1.215  -5.123   9.155
   34    HE2  PHE   5           HE2      PHE   5   0.064  -5.288   5.021
   35    HZ   PHE   5           HZ       PHE   5  -0.301  -5.959   7.379
   36    H    GLY   6           H        GLY   6   0.720  -1.317   5.276
   37   1HA   GLY   6          2HA       GLY   6  -1.142  -0.800   6.604
   38   2HA   GLY   6          1HA       GLY   6  -0.077  -0.770   8.007
   39    H    LYS   7           H        LYS   7   0.510   1.227   5.160
   40    HA   LYS   7           HA       LYS   7   0.138   3.650   6.860
   41   1HB   LYS   7          2HB       LYS   7   2.183   2.826   5.267
   42   2HB   LYS   7          1HB       LYS   7   1.269   3.800   4.115
   43   1HG   LYS   7          2HG       LYS   7   2.621   5.429   5.071
   44   2HG   LYS   7          1HG       LYS   7   1.203   5.531   6.115
   45   1HD   LYS   7          2HD       LYS   7   2.251   4.145   7.792
   46   2HD   LYS   7          1HD       LYS   7   3.607   3.789   6.722
   47   1HE   LYS   7          2HE       LYS   7   3.030   6.672   7.292
   48   2HE   LYS   7          1HE       LYS   7   3.794   5.710   8.573
   49   1HZ   LYS   7          1HZ       LYS   7   5.458   6.639   7.070
   50   2HZ   LYS   7          2HZ       LYS   7   4.718   5.871   5.748
   51   3HZ   LYS   7          3HZ       LYS   7   5.442   4.946   6.977
   52    H    GLY   8           H        GLY   8  -1.484   5.114   6.402
   53   1HA   GLY   8          2HA       GLY   8  -3.674   4.441   4.719
   54   2HA   GLY   8          1HA       GLY   8  -3.377   6.047   5.384
   55    H    CYS   9           H        CYS   9  -3.616   4.333   2.531
   56    HA   CYS   9           HA       CYS   9  -2.352   6.562   1.007
   57   1HB   CYS   9          2HB       CYS   9  -1.001   5.049  -0.266
   58   2HB   CYS   9          1HB       CYS   9  -0.776   4.581   1.419
   59    H    ASN  10           H        ASN  10  -2.942   6.322  -1.400
   60    HA   ASN  10           HA       ASN  10  -5.805   5.519  -1.610
   61   1HB   ASN  10          2HB       ASN  10  -4.274   7.721  -2.414
   62   2HB   ASN  10          1HB       ASN  10  -4.569   6.834  -3.909
   63   1HD2  ASN  10          1HD2      ASN  10  -6.566   7.245  -4.886
   64   2HD2  ASN  10          2HD2      ASN  10  -7.917   7.896  -4.091
   65    HA   PRO  11           HA       PRO  11  -4.729   1.972  -4.017
   66   1HB   PRO  11          2HB       PRO  11  -7.080   1.630  -5.381
   67   2HB   PRO  11          1HB       PRO  11  -6.883   1.220  -3.665
   68   1HG   PRO  11          2HG       PRO  11  -8.130   3.622  -4.906
   69   2HG   PRO  11          1HG       PRO  11  -8.628   2.699  -3.479
   70   1HD   PRO  11          2HD       PRO  11  -7.309   5.078  -3.340
   71   2HD   PRO  11          1HD       PRO  11  -7.195   3.820  -2.089
   72    H    SER  12           H        SER  12  -6.186   4.779  -5.676
   73    HA   SER  12           HA       SER  12  -5.341   3.985  -8.345
   74   1HB   SER  12          2HB       SER  12  -6.573   6.323  -6.971
   75   2HB   SER  12          1HB       SER  12  -5.769   6.651  -8.504
   76    HG   SER  12           HG       SER  12  -7.349   5.684  -9.485
   77    H    ASN  13           H        ASN  13  -4.092   6.349  -5.951
   78    HA   ASN  13           HA       ASN  13  -1.794   7.102  -7.567
   79   1HB   ASN  13          2HB       ASN  13  -3.082   7.795  -5.066
   80   2HB   ASN  13          1HB       ASN  13  -1.339   7.662  -4.831
   81   1HD2  ASN  13          1HD2      ASN  13  -0.053   9.378  -5.605
   82   2HD2  ASN  13          2HD2      ASN  13  -0.643  10.653  -6.558
   83    H    ASP  14           H        ASP  14  -2.310   4.889  -4.830
   84    HA   ASP  14           HA       ASP  14  -0.983   3.158  -3.952
   85   1HB   ASP  14          2HB       ASP  14  -1.190   2.733  -6.536
   86   2HB   ASP  14          1HB       ASP  14   0.517   3.179  -6.561
   87    H    GLN  15           H        GLN  15   0.007   4.812  -2.502
   88    HA   GLN  15           HA       GLN  15   2.713   5.768  -3.289
   89   1HB   GLN  15          2HB       GLN  15   0.644   6.394  -1.215
   90   2HB   GLN  15          1HB       GLN  15   2.322   6.804  -0.861
   91   1HG   GLN  15          2HG       GLN  15   2.201   7.781  -3.354
   92   2HG   GLN  15          1HG       GLN  15   0.494   7.929  -2.932
   93   1HE2  GLN  15          1HE2      GLN  15   3.719   9.171  -2.247
   94   2HE2  GLN  15          2HE2      GLN  15   3.221  10.403  -1.191
   95    H    CYS  16           H        CYS  16   1.869   2.852  -2.396
   96    HA   CYS  16           HA       CYS  16   3.287   2.416   0.112
   97   1HB   CYS  16          2HB       CYS  16   2.294   0.607  -2.113
   98   2HB   CYS  16          1HB       CYS  16   2.973   0.008  -0.601
   99    H    CYS  17           H        CYS  17   5.373   1.465   0.360
  100    HA   CYS  17           HA       CYS  17   7.302   2.108  -1.747
  101   1HB   CYS  17          2HB       CYS  17   7.430   2.208   0.887
  102   2HB   CYS  17          1HB       CYS  17   7.902   0.516   0.732
  103    H    LYS  18           H        LYS  18   8.421   0.640  -3.041
  104    HA   LYS  18           HA       LYS  18   7.231  -2.018  -3.417
  105   1HB   LYS  18          2HB       LYS  18   8.679  -0.070  -4.901
  106   2HB   LYS  18          1HB       LYS  18   9.643  -1.547  -4.919
  107   1HG   LYS  18          2HG       LYS  18   6.838  -2.167  -5.304
  108   2HG   LYS  18          1HG       LYS  18   7.379  -0.987  -6.497
  109   1HD   LYS  18          2HD       LYS  18   9.005  -3.456  -5.894
  110   2HD   LYS  18          1HD       LYS  18   7.692  -3.489  -7.071
  111   1HE   LYS  18          2HE       LYS  18   9.713  -1.281  -7.291
  112   2HE   LYS  18          1HE       LYS  18  10.168  -2.902  -7.850
  113   1HZ   LYS  18          1HZ       LYS  18   7.694  -1.443  -8.629
  114   2HZ   LYS  18          2HZ       LYS  18   8.143  -2.993  -9.162
  115   3HZ   LYS  18          3HZ       LYS  18   9.064  -1.637  -9.609
  116    H    SER  19           H        SER  19   9.808  -0.773  -1.500
  117    HA   SER  19           HA       SER  19  11.740  -2.864  -1.609
  118   1HB   SER  19          2HB       SER  19  11.823  -0.565  -0.491
  119   2HB   SER  19          1HB       SER  19  10.907  -1.278   0.835
  120    HG   SER  19           HG       SER  19  13.108  -1.437   1.267
  121    H    SER  20           H        SER  20   8.790  -2.531   0.392
  122    HA   SER  20           HA       SER  20   9.219  -5.293   1.451
  123   1HB   SER  20          2HB       SER  20   8.824  -3.252   2.922
  124   2HB   SER  20          1HB       SER  20   7.192  -3.192   2.264
  125    HG   SER  20           HG       SER  20   6.672  -4.842   3.466
  126    H    ASN  21           H        ASN  21   8.035  -4.381  -1.321
  127    HA   ASN  21           HA       ASN  21   6.262  -5.024  -2.741
  128   1HB   ASN  21          2HB       ASN  21   6.517  -7.292  -0.745
  129   2HB   ASN  21          1HB       ASN  21   5.514  -7.404  -2.191
  130   1HD2  ASN  21          1HD2      ASN  21   6.685  -7.079  -4.332
  131   2HD2  ASN  21          2HD2      ASN  21   8.322  -7.515  -4.434
  132    H    LEU  22           H        LEU  22   5.163  -3.096  -1.399
  133    HA   LEU  22           HA       LEU  22   2.738  -4.147   0.020
  134   1HB   LEU  22          2HB       LEU  22   4.167  -1.468   0.076
  135   2HB   LEU  22          1HB       LEU  22   2.694  -1.826   0.975
  136    HG   LEU  22           HG       LEU  22   5.258  -3.416   1.260
  137   1HD1  LEU  22          1HD1      LEU  22   5.717  -1.184   2.043
  138   2HD1  LEU  22          2HD1      LEU  22   5.423  -2.186   3.464
  139   3HD1  LEU  22          3HD1      LEU  22   4.165  -1.100   2.876
  140   1HD2  LEU  22          1HD2      LEU  22   2.588  -3.361   2.670
  141   2HD2  LEU  22          2HD2      LEU  22   4.028  -3.988   3.472
  142   3HD2  LEU  22          3HD2      LEU  22   3.443  -4.747   1.992
  143    H    VAL  23           H        VAL  23   0.704  -3.534  -0.721
  144    HA   VAL  23           HA       VAL  23   0.589  -1.767  -3.145
  145    HB   VAL  23           HB       VAL  23  -1.231  -3.312  -3.930
  146   1HG1  VAL  23          1HG1      VAL  23   1.225  -3.558  -4.555
  147   2HG1  VAL  23          2HG1      VAL  23   0.251  -5.018  -4.725
  148   3HG1  VAL  23          3HG1      VAL  23   1.321  -4.828  -3.336
  149   1HG2  VAL  23          1HG2      VAL  23  -1.610  -5.421  -2.823
  150   2HG2  VAL  23          2HG2      VAL  23  -1.762  -4.164  -1.596
  151   3HG2  VAL  23          3HG2      VAL  23  -0.290  -5.130  -1.692
  152    H    CYS  24           H        CYS  24  -1.160  -0.303  -3.177
  153    HA   CYS  24           HA       CYS  24  -2.397   0.320  -0.616
  154   1HB   CYS  24          2HB       CYS  24  -2.437   1.378  -3.427
  155   2HB   CYS  24          1HB       CYS  24  -3.634   1.964  -2.273
  156    H    SER  25           H        SER  25  -4.059  -0.932   0.132
  157    HA   SER  25           HA       SER  25  -5.825  -2.458  -1.624
  158   1HB   SER  25          2HB       SER  25  -5.660  -1.871   1.339
  159   2HB   SER  25          1HB       SER  25  -6.949  -2.860   0.661
  160    HG   SER  25           HG       SER  25  -5.352  -4.267   1.162
  161    H    ARG  26           H        ARG  26  -8.173  -2.143  -1.717
  162    HA   ARG  26           HA       ARG  26  -8.935   0.730  -1.728
  163   1HB   ARG  26          2HB       ARG  26  -9.304  -1.262  -3.505
  164   2HB   ARG  26          1HB       ARG  26 -10.783  -1.460  -2.564
  165   1HG   ARG  26          2HG       ARG  26 -10.558   1.306  -2.935
  166   2HG   ARG  26          1HG       ARG  26 -10.092   0.613  -4.489
  167   1HD   ARG  26          2HD       ARG  26 -12.580  -0.307  -3.023
  168   2HD   ARG  26          1HD       ARG  26 -12.605   1.046  -4.170
  169    HE   ARG  26           HE       ARG  26 -11.219  -1.160  -5.363
  170   1HH1  ARG  26          1HH2      ARG  26 -13.698  -2.422  -4.062
  171   2HH1  ARG  26          2HH2      ARG  26 -14.823  -2.358  -5.378
  172   1HH2  ARG  26          2HH1      ARG  26 -12.949  -0.083  -7.219
  173   2HH2  ARG  26          1HH1      ARG  26 -14.397  -1.032  -7.169
  174    H    LYS  27           H        LYS  27 -10.035  -2.376  -0.332
  175    HA   LYS  27           HA       LYS  27 -12.213  -1.222   1.199
  176   1HB   LYS  27          2HB       LYS  27 -12.294  -3.462   2.188
  177   2HB   LYS  27          1HB       LYS  27 -12.013  -3.602   0.454
  178   1HG   LYS  27          2HG       LYS  27  -9.445  -3.467   1.365
  179   2HG   LYS  27          1HG       LYS  27 -10.229  -4.282   2.718
  180   1HD   LYS  27          2HD       LYS  27  -9.918  -6.165   1.486
  181   2HD   LYS  27          1HD       LYS  27 -11.325  -5.605   0.582
  182   1HE   LYS  27          2HE       LYS  27  -8.782  -4.372  -0.286
  183   2HE   LYS  27          1HE       LYS  27  -8.880  -6.121  -0.561
  184   1HZ   LYS  27          1HZ       LYS  27 -11.059  -5.806  -1.569
  185   2HZ   LYS  27          2HZ       LYS  27  -9.884  -4.902  -2.397
  186   3HZ   LYS  27          3HZ       LYS  27 -10.954  -4.130  -1.327
  187    H    HIS  28           H        HIS  28  -8.767  -1.680   1.786
  188    HA   HIS  28           HA       HIS  28  -9.093  -0.862   4.643
  189   1HB   HIS  28          2HB       HIS  28  -6.802  -2.065   3.055
  190   2HB   HIS  28          1HB       HIS  28  -6.716  -1.664   4.768
  191    HD1  HIS  28           HD1      HIS  28  -9.467  -2.670   5.710
  192    HD2  HIS  28           HD2      HIS  28  -6.988  -4.836   3.150
  193    HE1  HIS  28           HE1      HIS  28 -10.160  -5.096   5.924
  194    H    ARG  29           H        ARG  29  -8.038   0.317   1.540
  195    HA   ARG  29           HA       ARG  29  -6.991   2.320   0.873
  196   1HB   ARG  29          2HB       ARG  29  -8.400   2.989   3.468
  197   2HB   ARG  29          1HB       ARG  29  -7.604   4.228   2.499
  198   1HG   ARG  29          2HG       ARG  29  -9.577   2.330   1.242
  199   2HG   ARG  29          1HG       ARG  29 -10.131   3.778   2.082
  200   1HD   ARG  29          2HD       ARG  29  -9.360   5.180   0.438
  201   2HD   ARG  29          1HD       ARG  29  -7.910   4.198   0.148
  202    HE   ARG  29           HE       ARG  29  -9.190   2.786  -1.316
  203   1HH1  ARG  29          2HH1      ARG  29 -10.339   5.598  -1.925
  204   2HH1  ARG  29          1HH1      ARG  29 -12.031   5.235  -1.990
  205   1HH2  ARG  29          1HH2      ARG  29 -11.696   2.136  -0.456
  206   2HH2  ARG  29          2HH2      ARG  29 -12.801   3.270  -1.157
  207    H    TRP  30           H        TRP  30  -5.220   0.493   2.127
  208    HA   TRP  30           HA       TRP  30  -3.216   2.379   3.223
  209   1HB   TRP  30          2HB       TRP  30  -2.990   1.231   5.290
  210   2HB   TRP  30          1HB       TRP  30  -4.726   1.356   5.050
  211    HD1  TRP  30           HD1      TRP  30  -4.534  -1.148   2.772
  212    HE1  TRP  30           HE1      TRP  30  -4.501  -3.535   3.735
  213    HE3  TRP  30           HE3      TRP  30  -3.149  -0.138   7.584
  214    HZ2  TRP  30           HZ2      TRP  30  -3.965  -4.846   6.218
  215    HZ3  TRP  30           HZ3      TRP  30  -2.887  -1.975   9.225
  216    HH2  TRP  30           HH2      TRP  30  -3.293  -4.325   8.549
  217    H    CYS  31           H        CYS  31  -1.115   0.872   3.749
  218    HA   CYS  31           HA       CYS  31  -0.535  -0.500   1.200
  219   1HB   CYS  31          2HB       CYS  31   1.040   0.305   3.655
  220   2HB   CYS  31          1HB       CYS  31   1.761  -0.658   2.369
  221    H    LYS  32           H        LYS  32  -0.790  -2.671   0.973
  222    HA   LYS  32           HA       LYS  32  -0.718  -4.391   3.434
  223   1HB   LYS  32          2HB       LYS  32  -2.937  -3.893   2.148
  224   2HB   LYS  32          1HB       LYS  32  -2.289  -4.991   0.929
  225   1HG   LYS  32          2HG       LYS  32  -1.850  -6.535   3.049
  226   2HG   LYS  32          1HG       LYS  32  -3.158  -5.570   3.734
  227   1HD   LYS  32          2HD       LYS  32  -4.346  -6.086   1.439
  228   2HD   LYS  32          1HD       LYS  32  -3.216  -7.439   1.387
  229   1HE   LYS  32          2HE       LYS  32  -4.209  -8.513   3.177
  230   2HE   LYS  32          1HE       LYS  32  -4.706  -6.993   3.946
  231   1HZ   LYS  32          1HZ       LYS  32  -6.325  -6.658   2.193
  232   2HZ   LYS  32          2HZ       LYS  32  -6.600  -8.154   2.950
  233   3HZ   LYS  32          3HZ       LYS  32  -5.846  -8.095   1.429
  234    H    TYR  33           H        TYR  33   0.477  -6.318   3.251
  235    HA   TYR  33           HA       TYR  33   2.513  -6.457   1.191
  236   1HB   TYR  33          2HB       TYR  33   2.796  -7.208   3.536
  237   2HB   TYR  33          1HB       TYR  33   1.589  -8.467   3.275
  238    HD1  TYR  33           HD1      TYR  33   2.295 -10.584   2.592
  239    HD2  TYR  33           HD2      TYR  33   4.790  -7.180   1.797
  240    HE1  TYR  33           HE1      TYR  33   4.052 -12.084   1.691
  241    HE2  TYR  33           HE2      TYR  33   6.548  -8.678   0.895
  242    HH   TYR  33           HH       TYR  33   6.968 -11.569   1.457
  243    H    GLU  34           H        GLU  34   2.252  -7.319  -0.818
  244    HA   GLU  34           HA       GLU  34  -0.173  -8.782  -1.560
  245   1HB   GLU  34          2HB       GLU  34   1.646  -7.134  -2.802
  246   2HB   GLU  34          1HB       GLU  34   2.139  -8.717  -3.402
  247   1HG   GLU  34          2HG       GLU  34  -0.777  -7.999  -3.400
  248   2HG   GLU  34          1HG       GLU  34   0.265  -7.357  -4.668
  249    H    ILE  35           H        ILE  35  -0.369 -10.994  -1.777
  250    HA   ILE  35           HA       ILE  35   1.640 -12.752  -0.655
  251    HB   ILE  35           HB       ILE  35   0.013 -14.505  -1.389
  252   1HG1  ILE  35          1HG1      ILE  35  -1.748 -12.290  -2.423
  253   2HG1  ILE  35          2HG1      ILE  35  -0.596 -13.076  -3.500
  254   1HG2  ILE  35          1HG2      ILE  35  -0.256 -12.979   0.687
  255   2HG2  ILE  35          2HG2      ILE  35  -1.526 -12.181  -0.241
  256   3HG2  ILE  35          3HG2      ILE  35  -1.665 -13.895   0.150
  257   1HD1  ILE  35          1HD1      ILE  35  -1.654 -15.288  -2.494
  258   2HD1  ILE  35          2HD1      ILE  35  -3.016 -14.220  -2.155
  259   3HD1  ILE  35          3HD1      ILE  35  -2.454 -14.432  -3.813
  260   1HN   NH2  36          1HN       NH2  36   2.094 -11.076  -3.302
  261   2HN   NH2  36          2HN       NH2  36   3.562 -12.089  -3.297
  Start of MODEL   16
    1   1H    GLU   1          1H        GLU   1   6.408   8.618  -3.034
    2   2H    GLU   1          2H        GLU   1   5.853   9.984  -2.192
    3   3H    GLU   1          3H        GLU   1   4.976   8.530  -2.130
    4    HA   GLU   1           HA       GLU   1   7.726   8.897  -1.042
    5   1HB   GLU   1          2HB       GLU   1   6.661   9.146   1.086
    6   2HB   GLU   1          1HB       GLU   1   5.768  10.198  -0.010
    7   1HG   GLU   1          2HG       GLU   1   4.152   8.253  -0.360
    8   2HG   GLU   1          1HG       GLU   1   4.957   7.461   0.995
    9    H    CYS   2           H        CYS   2   8.159   7.050   0.540
   10    HA   CYS   2           HA       CYS   2   7.066   4.485  -0.565
   11   1HB   CYS   2          2HB       CYS   2   9.703   5.524   0.085
   12   2HB   CYS   2          1HB       CYS   2   9.394   4.021   0.953
   13    H    LEU   3           H        LEU   3   5.360   3.984   0.813
   14    HA   LEU   3           HA       LEU   3   5.672   4.356   3.745
   15   1HB   LEU   3          2HB       LEU   3   3.400   3.553   1.904
   16   2HB   LEU   3          1HB       LEU   3   3.236   3.621   3.658
   17    HG   LEU   3           HG       LEU   3   4.111   5.953   1.923
   18   1HD1  LEU   3          1HD1      LEU   3   1.493   5.812   3.383
   19   2HD1  LEU   3          2HD1      LEU   3   1.644   5.025   1.812
   20   3HD1  LEU   3          3HD1      LEU   3   1.929   6.759   1.961
   21   1HD2  LEU   3          1HD2      LEU   3   4.888   6.660   3.944
   22   2HD2  LEU   3          2HD2      LEU   3   3.958   5.452   4.831
   23   3HD2  LEU   3          3HD2      LEU   3   3.188   6.951   4.311
   24    H    GLY   4           H        GLY   4   5.411   2.570   5.219
   25   1HA   GLY   4          2HA       GLY   4   6.518   0.047   4.235
   26   2HA   GLY   4          1HA       GLY   4   6.111   0.415   5.911
   27    H    PHE   5           H        PHE   5   5.198  -1.848   5.791
   28    HA   PHE   5           HA       PHE   5   2.754  -2.264   4.222
   29   1HB   PHE   5          2HB       PHE   5   4.225  -4.121   4.623
   30   2HB   PHE   5          1HB       PHE   5   4.264  -3.799   6.354
   31    HD1  PHE   5           HD1      PHE   5   1.621  -4.286   3.717
   32    HD2  PHE   5           HD2      PHE   5   3.033  -5.274   7.654
   33    HE1  PHE   5           HE1      PHE   5  -0.335  -5.772   4.046
   34    HE2  PHE   5           HE2      PHE   5   1.074  -6.760   7.980
   35    HZ   PHE   5           HZ       PHE   5  -0.609  -7.008   6.177
   36    H    GLY   6           H        GLY   6   0.644  -2.172   5.001
   37   1HA   GLY   6          2HA       GLY   6  -1.136  -1.753   6.468
   38   2HA   GLY   6          1HA       GLY   6  -0.023  -2.004   7.811
   39    H    LYS   7           H        LYS   7   0.155   0.396   5.179
   40    HA   LYS   7           HA       LYS   7   0.098   2.551   7.269
   41   1HB   LYS   7          2HB       LYS   7   2.254   2.061   6.014
   42   2HB   LYS   7          1HB       LYS   7   1.428   2.574   4.542
   43   1HG   LYS   7          2HG       LYS   7   2.251   4.627   5.118
   44   2HG   LYS   7          1HG       LYS   7   0.835   4.667   6.167
   45   1HD   LYS   7          2HD       LYS   7   2.344   3.501   7.918
   46   2HD   LYS   7          1HD       LYS   7   3.688   4.007   6.894
   47   1HE   LYS   7          2HE       LYS   7   2.939   6.364   7.068
   48   2HE   LYS   7          1HE       LYS   7   1.604   5.852   8.120
   49   1HZ   LYS   7          1HZ       LYS   7   3.532   6.522   9.430
   50   2HZ   LYS   7          2HZ       LYS   7   4.495   5.372   8.634
   51   3HZ   LYS   7          3HZ       LYS   7   3.215   4.868   9.632
   52    H    GLY   8           H        GLY   8  -1.467   4.120   7.005
   53   1HA   GLY   8          2HA       GLY   8  -3.619   3.824   5.180
   54   2HA   GLY   8          1HA       GLY   8  -3.264   5.304   6.071
   55    H    CYS   9           H        CYS   9  -3.582   4.103   3.009
   56    HA   CYS   9           HA       CYS   9  -2.093   6.406   1.852
   57   1HB   CYS   9          2HB       CYS   9  -0.858   4.973   0.355
   58   2HB   CYS   9          1HB       CYS   9  -0.653   4.310   1.975
   59    H    ASN  10           H        ASN  10  -2.519   6.258  -0.707
   60    HA   ASN  10           HA       ASN  10  -5.471   5.974  -1.029
   61   1HB   ASN  10          2HB       ASN  10  -4.117   8.110  -1.476
   62   2HB   ASN  10          1HB       ASN  10  -3.450   7.271  -2.876
   63   1HD2  ASN  10          1HD2      ASN  10  -4.514   8.490  -4.527
   64   2HD2  ASN  10          2HD2      ASN  10  -6.200   8.517  -4.715
   65    HA   PRO  11           HA       PRO  11  -4.611   2.284  -3.396
   66   1HB   PRO  11          2HB       PRO  11  -7.168   1.863  -4.282
   67   2HB   PRO  11          1HB       PRO  11  -6.627   1.461  -2.641
   68   1HG   PRO  11          2HG       PRO  11  -8.164   3.823  -3.601
   69   2HG   PRO  11          1HG       PRO  11  -8.356   2.879  -2.115
   70   1HD   PRO  11          2HD       PRO  11  -7.112   5.295  -2.191
   71   2HD   PRO  11          1HD       PRO  11  -6.706   4.028  -1.012
   72    H    SER  12           H        SER  12  -5.965   5.260  -4.651
   73    HA   SER  12           HA       SER  12  -5.890   4.396  -7.465
   74   1HB   SER  12          2HB       SER  12  -7.380   6.167  -6.155
   75   2HB   SER  12          1HB       SER  12  -6.050   7.250  -6.554
   76    HG   SER  12           HG       SER  12  -7.933   6.032  -8.182
   77    H    ASN  13           H        ASN  13  -3.942   6.480  -5.308
   78    HA   ASN  13           HA       ASN  13  -1.969   6.983  -7.467
   79   1HB   ASN  13          2HB       ASN  13  -2.922   8.656  -5.733
   80   2HB   ASN  13          1HB       ASN  13  -1.840   7.870  -4.583
   81   1HD2  ASN  13          1HD2      ASN  13  -1.953   9.950  -7.438
   82   2HD2  ASN  13          2HD2      ASN  13  -0.304  10.350  -7.432
   83    H    ASP  14           H        ASP  14  -2.308   5.120  -4.492
   84    HA   ASP  14           HA       ASP  14  -0.973   3.434  -3.550
   85   1HB   ASP  14          2HB       ASP  14  -1.010   2.953  -6.142
   86   2HB   ASP  14          1HB       ASP  14   0.683   3.442  -6.057
   87    H    GLN  15           H        GLN  15   0.012   4.756  -1.949
   88    HA   GLN  15           HA       GLN  15   2.584   6.103  -2.639
   89   1HB   GLN  15          2HB       GLN  15   0.667   6.183  -0.293
   90   2HB   GLN  15          1HB       GLN  15   2.219   7.019  -0.280
   91   1HG   GLN  15          2HG       GLN  15   1.579   8.528  -1.934
   92   2HG   GLN  15          1HG       GLN  15   0.360   7.442  -2.601
   93   1HE2  GLN  15          1HE2      GLN  15   1.041   9.390   0.360
   94   2HE2  GLN  15          2HE2      GLN  15  -0.592   9.693   0.711
   95    H    CYS  16           H        CYS  16   1.983   3.039  -2.069
   96    HA   CYS  16           HA       CYS  16   3.614   2.512   0.327
   97   1HB   CYS  16          2HB       CYS  16   2.425   0.732  -1.828
   98   2HB   CYS  16          1HB       CYS  16   3.134   0.159  -0.320
   99    H    CYS  17           H        CYS  17   5.626   1.274   0.211
  100    HA   CYS  17           HA       CYS  17   7.340   2.101  -2.029
  101   1HB   CYS  17          2HB       CYS  17   7.753   1.878   0.588
  102   2HB   CYS  17          1HB       CYS  17   8.170   0.220   0.156
  103    H    LYS  18           H        LYS  18   7.954   0.800  -3.721
  104    HA   LYS  18           HA       LYS  18   6.675  -1.802  -4.104
  105   1HB   LYS  18          2HB       LYS  18   8.524   0.031  -5.604
  106   2HB   LYS  18          1HB       LYS  18   8.316  -1.625  -6.175
  107   1HG   LYS  18          2HG       LYS  18   5.995  -1.331  -6.539
  108   2HG   LYS  18          1HG       LYS  18   5.940   0.130  -5.553
  109   1HD   LYS  18          2HD       LYS  18   7.859   0.467  -7.684
  110   2HD   LYS  18          1HD       LYS  18   6.304  -0.026  -8.353
  111   1HE   LYS  18          2HE       LYS  18   6.002   2.290  -8.228
  112   2HE   LYS  18          1HE       LYS  18   5.379   1.804  -6.641
  113   1HZ   LYS  18          1HZ       LYS  18   8.200   2.562  -7.209
  114   2HZ   LYS  18          2HZ       LYS  18   7.561   2.142  -5.691
  115   3HZ   LYS  18          3HZ       LYS  18   7.057   3.568  -6.462
  116    H    SER  19           H        SER  19   9.698  -0.734  -2.750
  117    HA   SER  19           HA       SER  19  11.420  -2.921  -3.340
  118   1HB   SER  19          2HB       SER  19  11.912  -0.677  -2.240
  119   2HB   SER  19          1HB       SER  19  11.259  -1.353  -0.750
  120    HG   SER  19           HG       SER  19  13.696  -1.612  -1.726
  121    H    SER  20           H        SER  20   8.982  -2.531  -0.751
  122    HA   SER  20           HA       SER  20   9.549  -5.301   0.206
  123   1HB   SER  20          2HB       SER  20   9.356  -3.141   1.651
  124   2HB   SER  20          1HB       SER  20   7.621  -3.305   1.394
  125    HG   SER  20           HG       SER  20   9.320  -4.748   2.981
  126    H    ASN  21           H        ASN  21   7.994  -4.501  -2.345
  127    HA   ASN  21           HA       ASN  21   6.035  -5.163  -3.476
  128   1HB   ASN  21          2HB       ASN  21   6.357  -7.304  -1.349
  129   2HB   ASN  21          1HB       ASN  21   5.281  -7.453  -2.738
  130   1HD2  ASN  21          1HD2      ASN  21   6.369  -7.303  -4.947
  131   2HD2  ASN  21          2HD2      ASN  21   7.972  -7.840  -5.093
  132    H    LEU  22           H        LEU  22   5.217  -3.084  -2.135
  133    HA   LEU  22           HA       LEU  22   2.860  -3.943  -0.481
  134   1HB   LEU  22          2HB       LEU  22   4.577  -1.441  -0.430
  135   2HB   LEU  22          1HB       LEU  22   3.124  -1.660   0.545
  136    HG   LEU  22           HG       LEU  22   5.475  -3.567   0.619
  137   1HD1  LEU  22          1HD1      LEU  22   5.874  -2.415   2.878
  138   2HD1  LEU  22          2HD1      LEU  22   4.834  -1.123   2.277
  139   3HD1  LEU  22          3HD1      LEU  22   6.339  -1.505   1.440
  140   1HD2  LEU  22          1HD2      LEU  22   3.305  -4.484   1.366
  141   2HD2  LEU  22          2HD2      LEU  22   3.108  -3.124   2.471
  142   3HD2  LEU  22          3HD2      LEU  22   4.404  -4.289   2.732
  143    H    VAL  23           H        VAL  23   0.886  -3.410  -1.300
  144    HA   VAL  23           HA       VAL  23   0.727  -1.271  -3.401
  145    HB   VAL  23           HB       VAL  23  -1.057  -2.786  -4.421
  146   1HG1  VAL  23          1HG1      VAL  23   0.710  -3.122  -5.782
  147   2HG1  VAL  23          2HG1      VAL  23   1.035  -4.584  -4.852
  148   3HG1  VAL  23          3HG1      VAL  23   1.846  -3.075  -4.435
  149   1HG2  VAL  23          1HG2      VAL  23  -1.347  -4.151  -2.304
  150   2HG2  VAL  23          2HG2      VAL  23   0.220  -4.887  -2.642
  151   3HG2  VAL  23          3HG2      VAL  23  -1.121  -5.110  -3.765
  152    H    CYS  24           H        CYS  24  -0.968   0.175  -3.105
  153    HA   CYS  24           HA       CYS  24  -2.354   0.235  -0.573
  154   1HB   CYS  24          2HB       CYS  24  -2.465   1.767  -3.166
  155   2HB   CYS  24          1HB       CYS  24  -3.604   2.118  -1.867
  156    H    SER  25           H        SER  25  -4.055  -1.070  -0.067
  157    HA   SER  25           HA       SER  25  -5.674  -2.383  -2.141
  158   1HB   SER  25          2HB       SER  25  -4.869  -3.386   0.048
  159   2HB   SER  25          1HB       SER  25  -6.001  -2.323   0.878
  160    HG   SER  25           HG       SER  25  -6.444  -4.641  -0.479
  161    H    ARG  26           H        ARG  26  -8.066  -2.189  -2.158
  162    HA   ARG  26           HA       ARG  26  -8.941   0.620  -1.762
  163   1HB   ARG  26          2HB       ARG  26  -9.277  -0.774  -3.868
  164   2HB   ARG  26          1HB       ARG  26 -10.431  -1.740  -2.948
  165   1HG   ARG  26          2HG       ARG  26 -11.977  -0.016  -2.805
  166   2HG   ARG  26          1HG       ARG  26 -10.746   1.239  -2.940
  167   1HD   ARG  26          2HD       ARG  26 -11.674   1.369  -5.072
  168   2HD   ARG  26          1HD       ARG  26 -10.437   0.132  -5.372
  169    HE   ARG  26           HE       ARG  26 -12.167  -1.584  -5.135
  170   1HH1  ARG  26          2HH1      ARG  26 -13.315   0.372  -7.158
  171   2HH1  ARG  26          1HH1      ARG  26 -14.932   0.566  -6.568
  172   1HH2  ARG  26          1HH2      ARG  26 -14.233  -0.775  -3.438
  173   2HH2  ARG  26          2HH2      ARG  26 -15.453  -0.086  -4.456
  174    H    LYS  27           H        LYS  27  -9.631  -2.639  -0.524
  175    HA   LYS  27           HA       LYS  27 -12.025  -1.996   0.943
  176   1HB   LYS  27          2HB       LYS  27 -11.021  -4.259   0.241
  177   2HB   LYS  27          1HB       LYS  27  -9.957  -4.095   1.637
  178   1HG   LYS  27          2HG       LYS  27 -12.694  -3.519   2.391
  179   2HG   LYS  27          1HG       LYS  27 -12.594  -5.100   1.618
  180   1HD   LYS  27          2HD       LYS  27 -10.372  -5.094   3.265
  181   2HD   LYS  27          1HD       LYS  27 -11.570  -4.232   4.229
  182   1HE   LYS  27          2HE       LYS  27 -13.163  -6.080   3.973
  183   2HE   LYS  27          1HE       LYS  27 -12.022  -6.941   2.923
  184   1HZ   LYS  27          1HZ       LYS  27 -11.807  -7.693   5.212
  185   2HZ   LYS  27          2HZ       LYS  27 -11.511  -6.104   5.732
  186   3HZ   LYS  27          3HZ       LYS  27 -10.395  -6.892   4.721
  187    H    HIS  28           H        HIS  28  -8.579  -2.138   1.924
  188    HA   HIS  28           HA       HIS  28  -9.311  -0.894   4.541
  189   1HB   HIS  28          2HB       HIS  28  -6.995  -2.501   3.466
  190   2HB   HIS  28          1HB       HIS  28  -6.834  -1.588   4.966
  191    HD1  HIS  28           HD1      HIS  28  -9.430  -2.025   6.380
  192    HD2  HIS  28           HD2      HIS  28  -7.570  -5.088   4.246
  193    HE1  HIS  28           HE1      HIS  28 -10.339  -4.200   7.308
  194    H    ARG  29           H        ARG  29  -8.035  -0.040   1.475
  195    HA   ARG  29           HA       ARG  29  -6.921   1.883   0.684
  196   1HB   ARG  29          2HB       ARG  29  -8.508   2.677   3.102
  197   2HB   ARG  29          1HB       ARG  29  -7.458   3.880   2.355
  198   1HG   ARG  29          2HG       ARG  29  -8.629   2.942   0.131
  199   2HG   ARG  29          1HG       ARG  29  -9.918   2.581   1.280
  200   1HD   ARG  29          2HD       ARG  29  -9.544   5.040   2.103
  201   2HD   ARG  29          1HD       ARG  29  -8.769   5.261   0.521
  202    HE   ARG  29           HE       ARG  29 -11.594   4.356   0.909
  203   1HH1  ARG  29          2HH1      ARG  29 -10.466   3.410  -1.663
  204   2HH1  ARG  29          1HH1      ARG  29 -10.816   4.720  -2.741
  205   1HH2  ARG  29          1HH2      ARG  29 -11.432   7.001  -0.192
  206   2HH2  ARG  29          2HH2      ARG  29 -11.366   6.758  -1.906
  207    H    TRP  30           H        TRP  30  -5.164   0.142   1.950
  208    HA   TRP  30           HA       TRP  30  -3.173   2.038   3.054
  209   1HB   TRP  30          2HB       TRP  30  -2.910   0.857   5.109
  210   2HB   TRP  30          1HB       TRP  30  -4.645   1.045   4.900
  211    HD1  TRP  30           HD1      TRP  30  -4.506  -1.465   2.590
  212    HE1  TRP  30           HE1      TRP  30  -4.572  -3.849   3.555
  213    HE3  TRP  30           HE3      TRP  30  -3.181  -0.494   7.422
  214    HZ2  TRP  30           HZ2      TRP  30  -4.131  -5.174   6.048
  215    HZ3  TRP  30           HZ3      TRP  30  -3.015  -2.335   9.071
  216    HH2  TRP  30           HH2      TRP  30  -3.487  -4.672   8.392
  217    H    CYS  31           H        CYS  31  -1.037   0.641   3.516
  218    HA   CYS  31           HA       CYS  31  -0.311  -0.595   0.998
  219   1HB   CYS  31          2HB       CYS  31   1.017  -0.321   3.706
  220   2HB   CYS  31          1HB       CYS  31   1.824  -1.058   2.324
  221    H    LYS  32           H        LYS  32  -0.685  -2.674   0.425
  222    HA   LYS  32           HA       LYS  32  -1.110  -4.720   2.580
  223   1HB   LYS  32          2HB       LYS  32  -3.046  -4.066   1.090
  224   2HB   LYS  32          1HB       LYS  32  -2.121  -4.675  -0.283
  225   1HG   LYS  32          2HG       LYS  32  -3.379  -6.555   0.267
  226   2HG   LYS  32          1HG       LYS  32  -1.915  -6.847   1.206
  227   1HD   LYS  32          2HD       LYS  32  -3.024  -5.728   3.165
  228   2HD   LYS  32          1HD       LYS  32  -4.508  -5.646   2.216
  229   1HE   LYS  32          2HE       LYS  32  -3.145  -8.308   2.452
  230   2HE   LYS  32          1HE       LYS  32  -4.077  -7.709   3.838
  231   1HZ   LYS  32          1HZ       LYS  32  -5.486  -8.928   2.269
  232   2HZ   LYS  32          2HZ       LYS  32  -5.064  -7.841   1.034
  233   3HZ   LYS  32          3HZ       LYS  32  -5.950  -7.301   2.380
  234    H    TYR  33           H        TYR  33   0.035  -6.687   2.364
  235    HA   TYR  33           HA       TYR  33   2.475  -6.614   0.774
  236   1HB   TYR  33          2HB       TYR  33   1.335  -8.045   2.995
  237   2HB   TYR  33          1HB       TYR  33   1.941  -9.212   1.819
  238    HD1  TYR  33           HD1      TYR  33   2.843  -7.191   4.552
  239    HD2  TYR  33           HD2      TYR  33   4.305  -8.554   0.749
  240    HE1  TYR  33           HE1      TYR  33   5.166  -6.705   5.270
  241    HE2  TYR  33           HE2      TYR  33   6.628  -8.069   1.466
  242    HH   TYR  33           HH       TYR  33   7.564  -6.200   3.511
  243    H    GLU  34           H        GLU  34   2.795  -7.495  -1.231
  244    HA   GLU  34           HA       GLU  34   0.514  -8.628  -2.689
  245   1HB   GLU  34          2HB       GLU  34   2.670  -7.089  -3.325
  246   2HB   GLU  34          1HB       GLU  34   3.251  -8.675  -3.835
  247   1HG   GLU  34          2HG       GLU  34   0.472  -8.171  -4.629
  248   2HG   GLU  34          1HG       GLU  34   1.606  -7.014  -5.327
  249    H    ILE  35           H        ILE  35   0.520 -10.744  -3.667
  250    HA   ILE  35           HA       ILE  35   1.745 -12.823  -1.997
  251    HB   ILE  35           HB       ILE  35   0.001 -12.867  -4.485
  252   1HG1  ILE  35          1HG1      ILE  35  -1.316 -13.833  -2.151
  253   2HG1  ILE  35          2HG1      ILE  35  -0.533 -12.315  -1.710
  254   1HG2  ILE  35          1HG2      ILE  35   0.959 -15.062  -2.641
  255   2HG2  ILE  35          2HG2      ILE  35  -0.482 -15.238  -3.641
  256   3HG2  ILE  35          3HG2      ILE  35   1.090 -14.983  -4.397
  257   1HD1  ILE  35          1HD1      ILE  35  -1.558 -11.248  -3.724
  258   2HD1  ILE  35          2HD1      ILE  35  -2.416 -12.755  -4.047
  259   3HD1  ILE  35          3HD1      ILE  35  -2.763 -11.840  -2.580
  260   1HN   NH2  36          1HN       NH2  36   4.673 -12.332  -3.931
  261   2HN   NH2  36          2HN       NH2  36   3.676 -11.645  -2.631
  Start of MODEL   17
    1   1H    GLU   1          1H        GLU   1   9.307   8.779  -3.963
    2   2H    GLU   1          2H        GLU   1  10.597   7.704  -3.710
    3   3H    GLU   1          3H        GLU   1  10.788   9.357  -3.367
    4    HA   GLU   1           HA       GLU   1  10.467   7.953  -1.348
    5   1HB   GLU   1          2HB       GLU   1   9.017   9.628  -0.372
    6   2HB   GLU   1          1HB       GLU   1   9.972  10.420  -1.622
    7   1HG   GLU   1          2HG       GLU   1   7.988  11.170  -2.423
    8   2HG   GLU   1          1HG       GLU   1   7.765   9.532  -3.033
    9    H    CYS   2           H        CYS   2   8.704   6.976   0.010
   10    HA   CYS   2           HA       CYS   2   6.314   6.003  -1.449
   11   1HB   CYS   2          2HB       CYS   2   6.935   3.652  -1.053
   12   2HB   CYS   2          1HB       CYS   2   8.166   4.457  -2.020
   13    H    LEU   3           H        LEU   3   4.924   4.639   0.080
   14    HA   LEU   3           HA       LEU   3   4.995   5.851   2.808
   15   1HB   LEU   3          2HB       LEU   3   2.870   4.423   1.176
   16   2HB   LEU   3          1HB       LEU   3   2.610   5.035   2.810
   17    HG   LEU   3           HG       LEU   3   3.527   6.763   0.493
   18   1HD1  LEU   3          1HD1      LEU   3   0.760   6.422   1.690
   19   2HD1  LEU   3          2HD1      LEU   3   1.260   5.885   0.086
   20   3HD1  LEU   3          3HD1      LEU   3   1.205   7.607   0.462
   21   1HD2  LEU   3          1HD2      LEU   3   2.596   7.317   3.325
   22   2HD2  LEU   3          2HD2      LEU   3   2.695   8.570   2.088
   23   3HD2  LEU   3          3HD2      LEU   3   4.154   7.725   2.606
   24    H    GLY   4           H        GLY   4   4.823   4.500   4.680
   25   1HA   GLY   4          2HA       GLY   4   6.081   1.884   4.431
   26   2HA   GLY   4          1HA       GLY   4   5.527   2.627   5.931
   27    H    PHE   5           H        PHE   5   4.821   0.272   6.243
   28    HA   PHE   5           HA       PHE   5   2.515  -0.693   4.735
   29   1HB   PHE   5          2HB       PHE   5   3.971  -2.320   5.658
   30   2HB   PHE   5          1HB       PHE   5   4.032  -1.505   7.219
   31    HD1  PHE   5           HD1      PHE   5   1.670  -3.273   4.904
   32    HD2  PHE   5           HD2      PHE   5   2.575  -2.141   8.951
   33    HE1  PHE   5           HE1      PHE   5  -0.216  -4.663   5.717
   34    HE2  PHE   5           HE2      PHE   5   0.689  -3.533   9.760
   35    HZ   PHE   5           HZ       PHE   5  -0.705  -4.793   8.142
   36    H    GLY   6           H        GLY   6   0.347  -0.647   5.375
   37   1HA   GLY   6          2HA       GLY   6  -1.576   0.084   6.485
   38   2HA   GLY   6          1HA       GLY   6  -0.609   0.114   7.958
   39    H    LYS   7           H        LYS   7  -0.312   1.980   4.932
   40    HA   LYS   7           HA       LYS   7  -0.442   4.492   6.564
   41   1HB   LYS   7          2HB       LYS   7   1.272   3.461   4.375
   42   2HB   LYS   7          1HB       LYS   7   0.795   5.151   4.215
   43   1HG   LYS   7          2HG       LYS   7   1.504   4.737   6.938
   44   2HG   LYS   7          1HG       LYS   7   2.777   4.018   5.953
   45   1HD   LYS   7          2HD       LYS   7   3.266   6.048   4.876
   46   2HD   LYS   7          1HD       LYS   7   1.708   6.757   5.302
   47   1HE   LYS   7          2HE       LYS   7   2.355   7.022   7.604
   48   2HE   LYS   7          1HE       LYS   7   3.808   6.029   7.371
   49   1HZ   LYS   7          1HZ       LYS   7   4.327   8.402   7.247
   50   2HZ   LYS   7          2HZ       LYS   7   3.227   8.587   5.965
   51   3HZ   LYS   7          3HZ       LYS   7   4.620   7.633   5.764
   52    H    GLY   8           H        GLY   8  -1.894   6.080   5.882
   53   1HA   GLY   8          2HA       GLY   8  -4.087   5.340   4.188
   54   2HA   GLY   8          1HA       GLY   8  -3.762   6.971   4.778
   55    H    CYS   9           H        CYS   9  -3.572   4.866   2.065
   56    HA   CYS   9           HA       CYS   9  -2.348   7.076   0.456
   57   1HB   CYS   9          2HB       CYS   9  -0.958   5.426  -0.669
   58   2HB   CYS   9          1HB       CYS   9  -0.718   5.263   1.069
   59    H    ASN  10           H        ASN  10  -2.706   6.536  -1.992
   60    HA   ASN  10           HA       ASN  10  -5.575   5.870  -2.337
   61   1HB   ASN  10          2HB       ASN  10  -4.256   7.917  -3.251
   62   2HB   ASN  10          1HB       ASN  10  -3.625   6.789  -4.451
   63   1HD2  ASN  10          1HD2      ASN  10  -6.543   8.471  -3.365
   64   2HD2  ASN  10          2HD2      ASN  10  -7.501   8.042  -4.700
   65    HA   PRO  11           HA       PRO  11  -4.579   1.830  -3.884
   66   1HB   PRO  11          2HB       PRO  11  -6.980   1.288  -5.088
   67   2HB   PRO  11          1HB       PRO  11  -6.736   1.218  -3.333
   68   1HG   PRO  11          2HG       PRO  11  -7.972   3.362  -4.985
   69   2HG   PRO  11          1HG       PRO  11  -8.447   2.748  -3.394
   70   1HD   PRO  11          2HD       PRO  11  -7.078   5.074  -3.749
   71   2HD   PRO  11          1HD       PRO  11  -6.941   4.073  -2.285
   72    H    SER  12           H        SER  12  -6.156   4.207  -6.043
   73    HA   SER  12           HA       SER  12  -5.385   2.935  -8.521
   74   1HB   SER  12          2HB       SER  12  -6.172   5.764  -7.761
   75   2HB   SER  12          1HB       SER  12  -5.997   5.214  -9.425
   76    HG   SER  12           HG       SER  12  -7.992   4.591  -9.182
   77    H    ASN  13           H        ASN  13  -3.928   5.540  -6.549
   78    HA   ASN  13           HA       ASN  13  -1.724   5.992  -8.409
   79   1HB   ASN  13          2HB       ASN  13  -2.891   7.463  -6.508
   80   2HB   ASN  13          1HB       ASN  13  -1.628   6.742  -5.511
   81   1HD2  ASN  13          1HD2      ASN  13  -0.374   8.709  -5.304
   82   2HD2  ASN  13          2HD2      ASN  13   0.425   9.412  -6.626
   83    H    ASP  14           H        ASP  14  -2.085   4.349  -5.269
   84    HA   ASP  14           HA       ASP  14  -0.733   2.762  -4.175
   85   1HB   ASP  14          2HB       ASP  14  -1.371   1.909  -6.655
   86   2HB   ASP  14          1HB       ASP  14   0.386   1.914  -6.806
   87    H    GLN  15           H        GLN  15   0.647   4.572  -3.349
   88    HA   GLN  15           HA       GLN  15   3.345   4.667  -4.662
   89   1HB   GLN  15          2HB       GLN  15   1.596   6.616  -3.202
   90   2HB   GLN  15          1HB       GLN  15   3.345   6.829  -3.099
   91   1HG   GLN  15          2HG       GLN  15   3.186   6.457  -5.735
   92   2HG   GLN  15          1HG       GLN  15   1.545   7.047  -5.478
   93   1HE2  GLN  15          1HE2      GLN  15   4.987   7.932  -5.058
   94   2HE2  GLN  15          2HE2      GLN  15   4.706   9.602  -4.945
   95    H    CYS  16           H        CYS  16   2.831   2.460  -3.019
   96    HA   CYS  16           HA       CYS  16   3.822   3.062  -0.293
   97   1HB   CYS  16          2HB       CYS  16   1.999   1.348  -1.181
   98   2HB   CYS  16          1HB       CYS  16   3.407   0.310  -1.401
   99    H    CYS  17           H        CYS  17   5.608   1.444   0.510
  100    HA   CYS  17           HA       CYS  17   7.960   1.779  -1.216
  101   1HB   CYS  17          2HB       CYS  17   7.561   0.455   1.491
  102   2HB   CYS  17          1HB       CYS  17   9.120   0.857   0.774
  103    H    LYS  18           H        LYS  18   9.057   0.133  -2.292
  104    HA   LYS  18           HA       LYS  18   7.619  -2.423  -2.686
  105   1HB   LYS  18          2HB       LYS  18   9.204  -0.677  -4.215
  106   2HB   LYS  18          1HB       LYS  18  10.190  -2.126  -4.019
  107   1HG   LYS  18          2HG       LYS  18   7.517  -2.974  -4.551
  108   2HG   LYS  18          1HG       LYS  18   7.930  -1.738  -5.739
  109   1HD   LYS  18          2HD       LYS  18   8.764  -3.648  -6.778
  110   2HD   LYS  18          1HD       LYS  18  10.194  -3.084  -5.913
  111   1HE   LYS  18          2HE       LYS  18  10.242  -4.963  -4.643
  112   2HE   LYS  18          1HE       LYS  18   8.531  -4.779  -4.212
  113   1HZ   LYS  18          1HZ       LYS  18   7.914  -5.664  -6.369
  114   2HZ   LYS  18          2HZ       LYS  18   8.899  -6.778  -5.547
  115   3HZ   LYS  18          3HZ       LYS  18   9.546  -5.833  -6.802
  116    H    SER  19           H        SER  19  10.278  -1.230  -0.800
  117    HA   SER  19           HA       SER  19  11.978  -3.503  -0.624
  118   1HB   SER  19          2HB       SER  19  11.840  -0.974   0.429
  119   2HB   SER  19          1HB       SER  19  11.491  -1.954   1.850
  120    HG   SER  19           HG       SER  19  13.496  -2.574   1.865
  121    H    SER  20           H        SER  20   9.030  -2.684   1.234
  122    HA   SER  20           HA       SER  20   9.172  -5.329   2.614
  123   1HB   SER  20          2HB       SER  20   7.735  -2.714   3.049
  124   2HB   SER  20          1HB       SER  20   7.233  -4.169   3.903
  125    HG   SER  20           HG       SER  20   8.787  -2.991   5.085
  126    H    ASN  21           H        ASN  21   8.193  -4.680  -0.301
  127    HA   ASN  21           HA       ASN  21   6.424  -5.330  -1.721
  128   1HB   ASN  21          2HB       ASN  21   7.007  -7.373   0.308
  129   2HB   ASN  21          1HB       ASN  21   5.405  -7.550  -0.405
  130   1HD2  ASN  21          1HD2      ASN  21   5.277  -8.328  -2.561
  131   2HD2  ASN  21          2HD2      ASN  21   6.637  -8.663  -3.520
  132    H    LEU  22           H        LEU  22   5.399  -3.213  -0.635
  133    HA   LEU  22           HA       LEU  22   2.830  -3.988   0.709
  134   1HB   LEU  22          2HB       LEU  22   4.409  -1.395   0.730
  135   2HB   LEU  22          1HB       LEU  22   2.915  -1.685   1.621
  136    HG   LEU  22           HG       LEU  22   5.432  -3.334   1.971
  137   1HD1  LEU  22          1HD1      LEU  22   5.550  -2.085   4.181
  138   2HD1  LEU  22          2HD1      LEU  22   4.355  -0.968   3.522
  139   3HD1  LEU  22          3HD1      LEU  22   5.935  -1.121   2.755
  140   1HD2  LEU  22          1HD2      LEU  22   3.615  -4.641   2.696
  141   2HD2  LEU  22          2HD2      LEU  22   2.720  -3.240   3.282
  142   3HD2  LEU  22          3HD2      LEU  22   4.120  -3.830   4.177
  143    H    VAL  23           H        VAL  23   0.898  -3.203  -0.174
  144    HA   VAL  23           HA       VAL  23   1.075  -1.470  -2.611
  145    HB   VAL  23           HB       VAL  23  -0.646  -3.060  -3.623
  146   1HG1  VAL  23          1HG1      VAL  23   2.003  -4.381  -2.997
  147   2HG1  VAL  23          2HG1      VAL  23   1.849  -3.033  -4.124
  148   3HG1  VAL  23          3HG1      VAL  23   1.025  -4.556  -4.454
  149   1HG2  VAL  23          1HG2      VAL  23  -1.210  -4.122  -1.389
  150   2HG2  VAL  23          2HG2      VAL  23   0.351  -4.939  -1.459
  151   3HG2  VAL  23          3HG2      VAL  23  -0.874  -5.272  -2.683
  152    H    CYS  24           H        CYS  24  -0.664  -0.039  -2.820
  153    HA   CYS  24           HA       CYS  24  -2.317   0.460  -0.490
  154   1HB   CYS  24          2HB       CYS  24  -2.174   1.533  -3.316
  155   2HB   CYS  24          1HB       CYS  24  -3.346   2.139  -2.146
  156    H    SER  25           H        SER  25  -4.043  -0.832  -0.004
  157    HA   SER  25           HA       SER  25  -5.392  -2.476  -2.006
  158   1HB   SER  25          2HB       SER  25  -6.578  -3.310  -0.094
  159   2HB   SER  25          1HB       SER  25  -4.940  -2.977   0.460
  160    HG   SER  25           HG       SER  25  -6.721  -2.153   1.793
  161    H    ARG  26           H        ARG  26  -7.818  -2.349  -2.267
  162    HA   ARG  26           HA       ARG  26  -8.644   0.479  -2.684
  163   1HB   ARG  26          2HB       ARG  26  -9.820  -2.182  -3.557
  164   2HB   ARG  26          1HB       ARG  26 -10.376  -0.598  -4.099
  165   1HG   ARG  26          2HG       ARG  26  -7.548  -0.685  -4.469
  166   2HG   ARG  26          1HG       ARG  26  -8.219  -2.173  -5.140
  167   1HD   ARG  26          2HD       ARG  26  -9.955  -0.688  -6.319
  168   2HD   ARG  26          1HD       ARG  26  -8.913   0.681  -5.881
  169    HE   ARG  26           HE       ARG  26  -7.535  -1.597  -7.154
  170   1HH1  ARG  26          2HH1      ARG  26  -9.494  -0.408  -9.118
  171   2HH1  ARG  26          1HH1      ARG  26  -8.530   0.809  -9.885
  172   1HH2  ARG  26          1HH2      ARG  26  -6.081   0.793  -7.421
  173   2HH2  ARG  26          2HH2      ARG  26  -6.592   1.490  -8.921
  174    H    LYS  27           H        LYS  27  -9.613  -2.428  -0.883
  175    HA   LYS  27           HA       LYS  27 -12.154  -1.410   0.049
  176   1HB   LYS  27          2HB       LYS  27 -10.895  -3.807  -0.014
  177   2HB   LYS  27          1HB       LYS  27 -10.595  -3.364   1.666
  178   1HG   LYS  27          2HG       LYS  27 -13.328  -2.749   1.001
  179   2HG   LYS  27          1HG       LYS  27 -12.984  -4.420   0.557
  180   1HD   LYS  27          2HD       LYS  27 -11.778  -3.839   3.110
  181   2HD   LYS  27          1HD       LYS  27 -13.485  -3.401   3.151
  182   1HE   LYS  27          2HE       LYS  27 -12.738  -6.025   1.902
  183   2HE   LYS  27          1HE       LYS  27 -12.739  -5.900   3.672
  184   1HZ   LYS  27          1HZ       LYS  27 -14.962  -4.972   3.584
  185   2HZ   LYS  27          2HZ       LYS  27 -14.940  -6.489   2.819
  186   3HZ   LYS  27          3HZ       LYS  27 -14.971  -5.067   1.890
  187    H    HIS  28           H        HIS  28  -8.918  -1.602   1.602
  188    HA   HIS  28           HA       HIS  28  -9.894   0.169   3.795
  189   1HB   HIS  28          2HB       HIS  28  -7.357  -1.448   3.404
  190   2HB   HIS  28          1HB       HIS  28  -7.760  -0.548   4.864
  191    HD1  HIS  28           HD1      HIS  28 -10.525  -1.237   5.548
  192    HD2  HIS  28           HD2      HIS  28  -8.008  -4.086   3.835
  193    HE1  HIS  28           HE1      HIS  28 -11.511  -3.499   6.116
  194    H    ARG  29           H        ARG  29  -8.280   0.462   0.813
  195    HA   ARG  29           HA       ARG  29  -6.951   2.158  -0.147
  196   1HB   ARG  29          2HB       ARG  29  -8.742   3.440   1.897
  197   2HB   ARG  29          1HB       ARG  29  -7.574   4.439   1.033
  198   1HG   ARG  29          2HG       ARG  29  -8.829   4.415  -0.838
  199   2HG   ARG  29          1HG       ARG  29  -8.946   2.656  -0.799
  200   1HD   ARG  29          2HD       ARG  29 -11.024   2.704   0.142
  201   2HD   ARG  29          1HD       ARG  29 -10.587   4.018   1.252
  202    HE   ARG  29           HE       ARG  29 -11.108   4.529  -1.654
  203   1HH1  ARG  29          1HH2      ARG  29 -10.089   6.689   0.243
  204   2HH1  ARG  29          2HH2      ARG  29 -11.561   7.511   0.639
  205   1HH2  ARG  29          2HH1      ARG  29 -13.612   4.958  -0.522
  206   2HH2  ARG  29          1HH1      ARG  29 -13.560   6.529   0.205
  207    H    TRP  30           H        TRP  30  -5.415   0.638   1.586
  208    HA   TRP  30           HA       TRP  30  -3.511   2.672   2.596
  209   1HB   TRP  30          2HB       TRP  30  -3.576   1.933   4.832
  210   2HB   TRP  30          1HB       TRP  30  -5.270   1.918   4.362
  211    HD1  TRP  30           HD1      TRP  30  -4.929  -0.890   2.646
  212    HE1  TRP  30           HE1      TRP  30  -4.858  -3.086   3.989
  213    HE3  TRP  30           HE3      TRP  30  -3.671   0.936   7.239
  214    HZ2  TRP  30           HZ2      TRP  30  -4.341  -3.952   6.660
  215    HZ3  TRP  30           HZ3      TRP  30  -3.400  -0.595   9.167
  216    HH2  TRP  30           HH2      TRP  30  -3.733  -3.036   8.885
  217    H    CYS  31           H        CYS  31  -1.441   1.479   3.393
  218    HA   CYS  31           HA       CYS  31  -0.555  -0.304   1.275
  219   1HB   CYS  31          2HB       CYS  31   0.574   0.929   3.770
  220   2HB   CYS  31          1HB       CYS  31   1.479  -0.346   2.958
  221    H    LYS  32           H        LYS  32  -0.752  -2.490   1.261
  222    HA   LYS  32           HA       LYS  32  -1.188  -3.925   3.862
  223   1HB   LYS  32          2HB       LYS  32  -3.048  -3.666   2.043
  224   2HB   LYS  32          1HB       LYS  32  -2.109  -4.857   1.142
  225   1HG   LYS  32          2HG       LYS  32  -2.531  -5.568   3.966
  226   2HG   LYS  32          1HG       LYS  32  -4.019  -5.464   3.025
  227   1HD   LYS  32          2HD       LYS  32  -3.040  -6.971   1.322
  228   2HD   LYS  32          1HD       LYS  32  -1.573  -7.101   2.291
  229   1HE   LYS  32          2HE       LYS  32  -4.223  -7.741   3.569
  230   2HE   LYS  32          1HE       LYS  32  -3.434  -8.951   2.539
  231   1HZ   LYS  32          1HZ       LYS  32  -2.691  -9.115   4.856
  232   2HZ   LYS  32          2HZ       LYS  32  -2.129  -7.513   4.794
  233   3HZ   LYS  32          3HZ       LYS  32  -1.413  -8.708   3.820
  234    H    TYR  33           H        TYR  33   0.052  -5.813   4.177
  235    HA   TYR  33           HA       TYR  33   2.387  -6.148   2.389
  236   1HB   TYR  33          2HB       TYR  33   2.665  -6.024   4.827
  237   2HB   TYR  33          1HB       TYR  33   1.573  -7.392   5.037
  238    HD1  TYR  33           HD1      TYR  33   2.773  -9.274   5.715
  239    HD2  TYR  33           HD2      TYR  33   4.416  -6.726   2.671
  240    HE1  TYR  33           HE1      TYR  33   4.673 -10.841   5.429
  241    HE2  TYR  33           HE2      TYR  33   6.315  -8.293   2.385
  242    HH   TYR  33           HH       TYR  33   7.395 -10.237   4.292
  243    H    GLU  34           H        GLU  34   2.471  -7.739   0.856
  244    HA   GLU  34           HA       GLU  34   0.255  -9.558   0.419
  245   1HB   GLU  34          2HB       GLU  34   2.735  -8.699  -0.857
  246   2HB   GLU  34          1HB       GLU  34   2.478 -10.433  -1.050
  247   1HG   GLU  34          2HG       GLU  34   0.250  -8.464  -1.555
  248   2HG   GLU  34          1HG       GLU  34   1.420  -8.861  -2.814
  249    H    ILE  35           H        ILE  35  -0.069 -11.404   1.579
  250    HA   ILE  35           HA       ILE  35   2.160 -12.642   3.081
  251    HB   ILE  35           HB       ILE  35   0.271 -13.998   4.022
  252   1HG1  ILE  35          1HG1      ILE  35  -1.707 -12.208   2.692
  253   2HG1  ILE  35          2HG1      ILE  35  -1.039 -13.515   1.716
  254   1HG2  ILE  35          1HG2      ILE  35   0.119 -10.984   3.989
  255   2HG2  ILE  35          2HG2      ILE  35  -0.953 -11.954   4.999
  256   3HG2  ILE  35          3HG2      ILE  35   0.792 -12.033   5.236
  257   1HD1  ILE  35          1HD1      ILE  35  -1.846 -14.302   4.448
  258   2HD1  ILE  35          2HD1      ILE  35  -3.173 -13.806   3.397
  259   3HD1  ILE  35          3HD1      ILE  35  -2.112 -15.128   2.912
  260   1HN   NH2  36          1HN       NH2  36   3.072 -14.840   0.680
  261   2HN   NH2  36          2HN       NH2  36   3.382 -13.420   1.703
  Start of MODEL   18
    1   1H    GLU   1          1H        GLU   1  10.417   6.925   3.475
    2   2H    GLU   1          2H        GLU   1  11.553   8.123   3.079
    3   3H    GLU   1          3H        GLU   1  11.108   6.956   1.927
    4    HA   GLU   1           HA       GLU   1   9.297   9.036   3.057
    5   1HB   GLU   1          2HB       GLU   1  11.032   8.760   0.615
    6   2HB   GLU   1          1HB       GLU   1   9.534   9.682   0.499
    7   1HG   GLU   1          2HG       GLU   1  10.616  11.442   1.392
    8   2HG   GLU   1          1HG       GLU   1  10.757  10.529   2.895
    9    H    CYS   2           H        CYS   2   8.197   6.672   3.380
   10    HA   CYS   2           HA       CYS   2   6.203   6.449   1.221
   11   1HB   CYS   2          2HB       CYS   2   6.715   4.015   0.904
   12   2HB   CYS   2          1HB       CYS   2   8.030   5.067   0.385
   13    H    LEU   3           H        LEU   3   4.530   4.725   1.842
   14    HA   LEU   3           HA       LEU   3   3.922   4.978   4.723
   15   1HB   LEU   3          2HB       LEU   3   2.461   3.867   2.307
   16   2HB   LEU   3          1HB       LEU   3   1.761   3.924   3.925
   17    HG   LEU   3           HG       LEU   3   2.935   6.439   2.797
   18   1HD1  LEU   3          1HD1      LEU   3   1.180   6.892   1.364
   19   2HD1  LEU   3          2HD1      LEU   3   0.064   5.833   2.225
   20   3HD1  LEU   3          3HD1      LEU   3   1.281   5.144   1.151
   21   1HD2  LEU   3          1HD2      LEU   3   1.178   7.452   4.160
   22   2HD2  LEU   3          2HD2      LEU   3   2.052   6.269   5.133
   23   3HD2  LEU   3          3HD2      LEU   3   0.467   5.869   4.471
   24    H    GLY   4           H        GLY   4   4.174   3.321   6.184
   25   1HA   GLY   4          2HA       GLY   4   5.568   0.902   5.418
   26   2HA   GLY   4          1HA       GLY   4   4.939   1.262   7.025
   27    H    PHE   5           H        PHE   5   4.544  -1.235   6.550
   28    HA   PHE   5           HA       PHE   5   2.314  -2.007   4.894
   29   1HB   PHE   5          2HB       PHE   5   4.038  -3.561   5.648
   30   2HB   PHE   5          1HB       PHE   5   3.633  -3.245   7.334
   31    HD1  PHE   5           HD1      PHE   5   1.641  -4.192   8.357
   32    HD2  PHE   5           HD2      PHE   5   2.517  -4.862   4.206
   33    HE1  PHE   5           HE1      PHE   5  -0.072  -5.982   8.284
   34    HE2  PHE   5           HE2      PHE   5   0.804  -6.652   4.134
   35    HZ   PHE   5           HZ       PHE   5  -0.490  -7.212   6.172
   36    H    GLY   6           H        GLY   6   0.126  -2.176   5.401
   37   1HA   GLY   6          2HA       GLY   6  -1.879  -1.877   6.575
   38   2HA   GLY   6          1HA       GLY   6  -0.953  -2.083   8.060
   39    H    LYS   7           H        LYS   7  -0.418   0.427   5.599
   40    HA   LYS   7           HA       LYS   7  -1.056   2.481   7.690
   41   1HB   LYS   7          2HB       LYS   7   1.307   2.225   6.842
   42   2HB   LYS   7          1HB       LYS   7   0.724   2.667   5.238
   43   1HG   LYS   7          2HG       LYS   7   1.629   4.647   6.341
   44   2HG   LYS   7          1HG       LYS   7  -0.115   4.821   6.169
   45   1HD   LYS   7          2HD       LYS   7   0.487   5.507   8.413
   46   2HD   LYS   7          1HD       LYS   7  -0.365   3.969   8.525
   47   1HE   LYS   7          2HE       LYS   7   1.522   3.672   9.941
   48   2HE   LYS   7          1HE       LYS   7   2.026   2.904   8.424
   49   1HZ   LYS   7          1HZ       LYS   7   3.131   4.889   7.749
   50   2HZ   LYS   7          2HZ       LYS   7   3.660   4.536   9.324
   51   3HZ   LYS   7          3HZ       LYS   7   2.515   5.764   9.066
   52    H    GLY   8           H        GLY   8  -2.673   3.939   7.219
   53   1HA   GLY   8          2HA       GLY   8  -4.498   3.570   5.091
   54   2HA   GLY   8          1HA       GLY   8  -4.369   5.049   6.040
   55    H    CYS   9           H        CYS   9  -4.095   3.824   2.954
   56    HA   CYS   9           HA       CYS   9  -2.543   6.224   2.064
   57   1HB   CYS   9          2HB       CYS   9  -1.182   4.854   0.663
   58   2HB   CYS   9          1HB       CYS   9  -1.242   4.008   2.208
   59    H    ASN  10           H        ASN  10  -2.791   6.315  -0.505
   60    HA   ASN  10           HA       ASN  10  -5.713   6.051  -1.080
   61   1HB   ASN  10          2HB       ASN  10  -3.813   8.100  -1.329
   62   2HB   ASN  10          1HB       ASN  10  -4.083   7.548  -2.981
   63   1HD2  ASN  10          1HD2      ASN  10  -5.525   9.093  -3.832
   64   2HD2  ASN  10          2HD2      ASN  10  -6.995   9.528  -3.103
   65    HA   PRO  11           HA       PRO  11  -4.728   2.769  -3.913
   66   1HB   PRO  11          2HB       PRO  11  -7.084   2.759  -5.315
   67   2HB   PRO  11          1HB       PRO  11  -6.920   2.068  -3.688
   68   1HG   PRO  11          2HG       PRO  11  -8.018   4.711  -4.517
   69   2HG   PRO  11          1HG       PRO  11  -8.606   3.582  -3.286
   70   1HD   PRO  11          2HD       PRO  11  -7.185   5.806  -2.671
   71   2HD   PRO  11          1HD       PRO  11  -7.108   4.317  -1.703
   72    H    SER  12           H        SER  12  -6.185   5.795  -5.148
   73    HA   SER  12           HA       SER  12  -5.208   5.460  -7.868
   74   1HB   SER  12          2HB       SER  12  -6.349   7.711  -6.203
   75   2HB   SER  12          1HB       SER  12  -5.812   7.985  -7.858
   76    HG   SER  12           HG       SER  12  -7.455   6.852  -8.582
   77    H    ASN  13           H        ASN  13  -4.016   7.072  -4.931
   78    HA   ASN  13           HA       ASN  13  -1.511   7.839  -6.390
   79   1HB   ASN  13          2HB       ASN  13  -2.934   8.893  -3.926
   80   2HB   ASN  13          1HB       ASN  13  -1.301   9.395  -4.361
   81   1HD2  ASN  13          1HD2      ASN  13  -3.812  11.058  -4.344
   82   2HD2  ASN  13          2HD2      ASN  13  -3.969  11.654  -5.925
   83    H    ASP  14           H        ASP  14  -1.130   5.374  -6.018
   84    HA   ASP  14           HA       ASP  14  -0.697   4.189  -3.487
   85   1HB   ASP  14          2HB       ASP  14  -0.618   3.354  -6.003
   86   2HB   ASP  14          1HB       ASP  14   1.112   3.639  -5.820
   87    H    GLN  15           H        GLN  15   0.650   4.916  -1.883
   88    HA   GLN  15           HA       GLN  15   3.348   5.979  -2.664
   89   1HB   GLN  15          2HB       GLN  15   1.215   7.040  -0.819
   90   2HB   GLN  15          1HB       GLN  15   2.907   7.442  -0.523
   91   1HG   GLN  15          2HG       GLN  15   3.132   8.523  -2.628
   92   2HG   GLN  15          1HG       GLN  15   1.632   7.821  -3.236
   93   1HE2  GLN  15          1HE2      GLN  15   2.883  10.166  -0.819
   94   2HE2  GLN  15          2HE2      GLN  15   1.452  11.075  -0.736
   95    H    CYS  16           H        CYS  16   2.645   3.246  -1.849
   96    HA   CYS  16           HA       CYS  16   3.411   2.945   0.977
   97   1HB   CYS  16          2HB       CYS  16   2.979   0.989  -1.305
   98   2HB   CYS  16          1HB       CYS  16   3.185   0.531   0.385
   99    H    CYS  17           H        CYS  17   5.281   1.391   1.488
  100    HA   CYS  17           HA       CYS  17   7.738   2.379   0.278
  101   1HB   CYS  17          2HB       CYS  17   7.124   0.153   2.249
  102   2HB   CYS  17          1HB       CYS  17   8.747   0.732   1.885
  103    H    LYS  18           H        LYS  18   8.685   1.577  -1.534
  104    HA   LYS  18           HA       LYS  18   7.673  -0.786  -2.902
  105   1HB   LYS  18          2HB       LYS  18   8.990   1.529  -3.570
  106   2HB   LYS  18          1HB       LYS  18  10.294   0.346  -3.674
  107   1HG   LYS  18          2HG       LYS  18   9.290  -0.818  -5.405
  108   2HG   LYS  18          1HG       LYS  18   7.662  -0.349  -4.916
  109   1HD   LYS  18          2HD       LYS  18   9.284   1.964  -5.649
  110   2HD   LYS  18          1HD       LYS  18   9.154   0.806  -6.973
  111   1HE   LYS  18          2HE       LYS  18   6.612   1.302  -5.537
  112   2HE   LYS  18          1HE       LYS  18   7.248   2.695  -6.432
  113   1HZ   LYS  18          1HZ       LYS  18   5.913   1.243  -7.861
  114   2HZ   LYS  18          2HZ       LYS  18   6.953  -0.057  -7.523
  115   3HZ   LYS  18          3HZ       LYS  18   7.530   1.297  -8.373
  116    H    SER  19           H        SER  19  10.362  -0.144  -0.711
  117    HA   SER  19           HA       SER  19  12.033  -2.381  -1.310
  118   1HB   SER  19          2HB       SER  19  12.924  -1.928   0.943
  119   2HB   SER  19          1HB       SER  19  12.620  -0.418   0.089
  120    HG   SER  19           HG       SER  19  11.334   0.068   1.668
  121    H    SER  20           H        SER  20   9.152  -2.109   0.774
  122    HA   SER  20           HA       SER  20   9.410  -4.976   1.557
  123   1HB   SER  20          2HB       SER  20   7.766  -2.606   2.463
  124   2HB   SER  20          1HB       SER  20   7.422  -4.238   3.030
  125    HG   SER  20           HG       SER  20   8.857  -3.206   4.436
  126    H    ASN  21           H        ASN  21   8.419  -3.783  -1.188
  127    HA   ASN  21           HA       ASN  21   6.721  -4.241  -2.758
  128   1HB   ASN  21          2HB       ASN  21   7.711  -6.535  -1.591
  129   2HB   ASN  21          1HB       ASN  21   5.972  -6.740  -1.381
  130   1HD2  ASN  21          1HD2      ASN  21   8.560  -6.672  -3.750
  131   2HD2  ASN  21          2HD2      ASN  21   7.593  -7.030  -5.098
  132    H    LEU  22           H        LEU  22   5.689  -2.446  -1.038
  133    HA   LEU  22           HA       LEU  22   3.132  -3.545   0.044
  134   1HB   LEU  22          2HB       LEU  22   4.690  -0.971   0.408
  135   2HB   LEU  22          1HB       LEU  22   3.092  -1.225   1.106
  136    HG   LEU  22           HG       LEU  22   5.446  -3.073   1.586
  137   1HD1  LEU  22          1HD1      LEU  22   4.698  -0.502   2.804
  138   2HD1  LEU  22          2HD1      LEU  22   6.218  -1.391   2.898
  139   3HD1  LEU  22          3HD1      LEU  22   4.885  -1.809   3.973
  140   1HD2  LEU  22          1HD2      LEU  22   3.810  -4.408   2.393
  141   2HD2  LEU  22          2HD2      LEU  22   2.597  -3.144   2.193
  142   3HD2  LEU  22          3HD2      LEU  22   3.567  -3.211   3.664
  143    H    VAL  23           H        VAL  23   1.161  -2.924  -0.813
  144    HA   VAL  23           HA       VAL  23   1.121  -0.815  -2.942
  145    HB   VAL  23           HB       VAL  23  -0.414  -2.386  -4.208
  146   1HG1  VAL  23          1HG1      VAL  23   2.282  -3.652  -3.706
  147   2HG1  VAL  23          2HG1      VAL  23   2.114  -2.128  -4.578
  148   3HG1  VAL  23          3HG1      VAL  23   1.366  -3.594  -5.212
  149   1HG2  VAL  23          1HG2      VAL  23  -0.504  -4.717  -3.589
  150   2HG2  VAL  23          2HG2      VAL  23  -0.959  -3.781  -2.166
  151   3HG2  VAL  23          3HG2      VAL  23   0.659  -4.471  -2.287
  152    H    CYS  24           H        CYS  24  -0.867   0.347  -3.037
  153    HA   CYS  24           HA       CYS  24  -2.415   0.447  -0.592
  154   1HB   CYS  24          2HB       CYS  24  -2.462   1.750  -3.300
  155   2HB   CYS  24          1HB       CYS  24  -3.814   2.000  -2.196
  156    H    SER  25           H        SER  25  -4.338  -0.559  -0.118
  157    HA   SER  25           HA       SER  25  -5.428  -2.509  -2.070
  158   1HB   SER  25          2HB       SER  25  -4.876  -2.963   0.383
  159   2HB   SER  25          1HB       SER  25  -6.256  -1.948   0.792
  160    HG   SER  25           HG       SER  25  -7.204  -3.857   0.619
  161    H    ARG  26           H        ARG  26  -7.917  -2.663  -2.081
  162    HA   ARG  26           HA       ARG  26  -9.050   0.071  -2.505
  163   1HB   ARG  26          2HB       ARG  26  -9.480  -2.691  -3.591
  164   2HB   ARG  26          1HB       ARG  26 -10.825  -1.552  -3.650
  165   1HG   ARG  26          2HG       ARG  26  -8.990   0.085  -4.620
  166   2HG   ARG  26          1HG       ARG  26  -8.169  -1.420  -5.035
  167   1HD   ARG  26          2HD       ARG  26 -10.251  -2.191  -6.200
  168   2HD   ARG  26          1HD       ARG  26 -10.971  -0.600  -5.881
  169    HE   ARG  26           HE       ARG  26  -8.592  -1.084  -7.614
  170   1HH1  ARG  26          1HH2      ARG  26 -11.107   0.053  -8.748
  171   2HH1  ARG  26          2HH2      ARG  26 -10.778   1.753  -8.757
  172   1HH2  ARG  26          2HH1      ARG  26  -8.108   1.515  -6.546
  173   2HH2  ARG  26          1HH1      ARG  26  -9.075   2.583  -7.506
  174    H    LYS  27           H        LYS  27  -9.802  -3.075  -0.976
  175    HA   LYS  27           HA       LYS  27 -12.265  -2.096   0.261
  176   1HB   LYS  27          2HB       LYS  27 -12.355  -4.336   1.164
  177   2HB   LYS  27          1HB       LYS  27 -11.729  -4.465  -0.478
  178   1HG   LYS  27          2HG       LYS  27  -9.393  -4.414   0.519
  179   2HG   LYS  27          1HG       LYS  27 -10.149  -4.575   2.104
  180   1HD   LYS  27          2HD       LYS  27 -11.031  -6.714   1.594
  181   2HD   LYS  27          1HD       LYS  27 -10.759  -6.504  -0.136
  182   1HE   LYS  27          2HE       LYS  27  -8.211  -6.217   0.750
  183   2HE   LYS  27          1HE       LYS  27  -8.843  -7.323   1.986
  184   1HZ   LYS  27          1HZ       LYS  27  -8.047  -8.544   0.046
  185   2HZ   LYS  27          2HZ       LYS  27  -9.114  -7.682  -0.955
  186   3HZ   LYS  27          3HZ       LYS  27  -9.722  -8.735   0.232
  187    H    HIS  28           H        HIS  28  -8.874  -2.364   1.208
  188    HA   HIS  28           HA       HIS  28  -9.555  -1.519   3.996
  189   1HB   HIS  28          2HB       HIS  28  -7.171  -2.811   2.654
  190   2HB   HIS  28          1HB       HIS  28  -7.075  -2.167   4.292
  191    HD1  HIS  28           HD1      HIS  28  -9.744  -3.018   5.466
  192    HD2  HIS  28           HD2      HIS  28  -7.440  -5.535   3.070
  193    HE1  HIS  28           HE1      HIS  28 -10.464  -5.383   6.012
  194    H    ARG  29           H        ARG  29  -8.091  -0.397   1.021
  195    HA   ARG  29           HA       ARG  29  -7.074   1.649   0.445
  196   1HB   ARG  29          2HB       ARG  29  -9.216   2.068   2.288
  197   2HB   ARG  29          1HB       ARG  29  -7.933   3.202   2.708
  198   1HG   ARG  29          2HG       ARG  29  -9.054   4.415   1.074
  199   2HG   ARG  29          1HG       ARG  29  -7.847   3.586   0.092
  200   1HD   ARG  29          2HD       ARG  29  -9.883   3.195  -1.071
  201   2HD   ARG  29          1HD       ARG  29  -9.656   1.708  -0.130
  202    HE   ARG  29           HE       ARG  29 -11.230   3.939   1.072
  203   1HH1  ARG  29          2HH1      ARG  29 -11.037   1.221   2.350
  204   2HH1  ARG  29          1HH1      ARG  29 -12.527   0.487   1.860
  205   1HH2  ARG  29          1HH2      ARG  29 -13.140   2.793  -0.666
  206   2HH2  ARG  29          2HH2      ARG  29 -13.721   1.379   0.149
  207    H    TRP  30           H        TRP  30  -5.364  -0.109   1.797
  208    HA   TRP  30           HA       TRP  30  -3.614   1.812   3.250
  209   1HB   TRP  30          2HB       TRP  30  -3.335   0.285   5.102
  210   2HB   TRP  30          1HB       TRP  30  -5.058   0.519   4.853
  211    HD1  TRP  30           HD1      TRP  30  -4.482  -1.650   2.140
  212    HE1  TRP  30           HE1      TRP  30  -4.738  -4.136   2.745
  213    HE3  TRP  30           HE3      TRP  30  -4.174  -1.350   7.223
  214    HZ2  TRP  30           HZ2      TRP  30  -4.803  -5.787   5.078
  215    HZ3  TRP  30           HZ3      TRP  30  -4.336  -3.393   8.613
  216    HH2  TRP  30           HH2      TRP  30  -4.650  -5.610   7.548
  217    H    CYS  31           H        CYS  31  -1.394   0.580   3.714
  218    HA   CYS  31           HA       CYS  31  -0.461  -0.387   1.098
  219   1HB   CYS  31          2HB       CYS  31   0.823   0.243   3.765
  220   2HB   CYS  31          1HB       CYS  31   1.749  -0.355   2.389
  221    H    LYS  32           H        LYS  32  -1.442  -2.477   0.916
  222    HA   LYS  32           HA       LYS  32  -0.926  -4.515   3.000
  223   1HB   LYS  32          2HB       LYS  32  -3.019  -4.048   1.411
  224   2HB   LYS  32          1HB       LYS  32  -2.112  -5.076   0.302
  225   1HG   LYS  32          2HG       LYS  32  -1.966  -6.820   2.060
  226   2HG   LYS  32          1HG       LYS  32  -2.925  -5.799   3.132
  227   1HD   LYS  32          2HD       LYS  32  -4.788  -5.840   1.522
  228   2HD   LYS  32          1HD       LYS  32  -3.832  -6.849   0.435
  229   1HE   LYS  32          2HE       LYS  32  -3.812  -8.675   2.012
  230   2HE   LYS  32          1HE       LYS  32  -4.516  -7.656   3.282
  231   1HZ   LYS  32          1HZ       LYS  32  -5.805  -8.275   0.674
  232   2HZ   LYS  32          2HZ       LYS  32  -6.473  -7.333   1.921
  233   3HZ   LYS  32          3HZ       LYS  32  -6.213  -8.996   2.154
  234    H    TYR  33           H        TYR  33   0.105  -6.607   2.334
  235    HA   TYR  33           HA       TYR  33   2.528  -6.118   0.719
  236   1HB   TYR  33          2HB       TYR  33   2.543  -7.266   2.930
  237   2HB   TYR  33          1HB       TYR  33   1.548  -8.553   2.250
  238    HD1  TYR  33           HD1      TYR  33   2.672 -10.467   1.559
  239    HD2  TYR  33           HD2      TYR  33   4.683  -6.675   1.344
  240    HE1  TYR  33           HE1      TYR  33   4.707 -11.593   0.705
  241    HE2  TYR  33           HE2      TYR  33   6.719  -7.804   0.490
  242    HH   TYR  33           HH       TYR  33   6.911 -10.451  -0.887
  243    H    GLU  34           H        GLU  34   2.981  -7.139  -1.246
  244    HA   GLU  34           HA       GLU  34   0.699  -8.154  -2.786
  245   1HB   GLU  34          2HB       GLU  34   3.000  -6.740  -3.298
  246   2HB   GLU  34          1HB       GLU  34   3.438  -8.347  -3.878
  247   1HG   GLU  34          2HG       GLU  34   0.844  -6.990  -4.649
  248   2HG   GLU  34          1HG       GLU  34   2.324  -6.815  -5.591
  249    H    ILE  35           H        ILE  35   0.406 -10.297  -3.474
  250    HA   ILE  35           HA       ILE  35   1.578 -12.418  -1.884
  251    HB   ILE  35           HB       ILE  35  -0.747 -12.221  -2.973
  252   1HG1  ILE  35          1HG1      ILE  35  -0.336 -14.832  -3.789
  253   2HG1  ILE  35          2HG1      ILE  35   1.004 -14.561  -2.675
  254   1HG2  ILE  35          1HG2      ILE  35   0.284 -11.693  -5.260
  255   2HG2  ILE  35          2HG2      ILE  35   0.661 -13.412  -5.370
  256   3HG2  ILE  35          3HG2      ILE  35  -1.017 -12.882  -5.245
  257   1HD1  ILE  35          1HD1      ILE  35  -1.798 -13.736  -1.932
  258   2HD1  ILE  35          2HD1      ILE  35  -1.254 -15.396  -1.694
  259   3HD1  ILE  35          3HD1      ILE  35  -0.429 -14.072  -0.872
  260   1HN   NH2  36          1HN       NH2  36   3.174 -10.621  -4.010
  261   2HN   NH2  36          2HN       NH2  36   4.449 -11.769  -3.521
  Start of MODEL   19
    1   1H    GLU   1          1H        GLU   1  10.444   8.787  -2.951
    2   2H    GLU   1          2H        GLU   1   8.964   8.416  -3.699
    3   3H    GLU   1          3H        GLU   1   9.983   7.168  -3.159
    4    HA   GLU   1           HA       GLU   1   9.652   7.859  -0.853
    5   1HB   GLU   1          2HB       GLU   1   8.349  10.068  -2.378
    6   2HB   GLU   1          1HB       GLU   1   7.608   9.623  -0.842
    7   1HG   GLU   1          2HG       GLU   1  10.580   9.970  -0.926
    8   2HG   GLU   1          1HG       GLU   1   9.569  11.416  -0.939
    9    H    CYS   2           H        CYS   2   8.422   6.207  -0.063
   10    HA   CYS   2           HA       CYS   2   5.793   5.621  -1.387
   11   1HB   CYS   2          2HB       CYS   2   6.338   3.225  -0.989
   12   2HB   CYS   2          1HB       CYS   2   7.523   4.005  -2.033
   13    H    LEU   3           H        LEU   3   4.434   4.151   0.137
   14    HA   LEU   3           HA       LEU   3   4.431   5.395   2.845
   15   1HB   LEU   3          2HB       LEU   3   2.426   3.848   1.175
   16   2HB   LEU   3          1HB       LEU   3   2.101   4.361   2.830
   17    HG   LEU   3           HG       LEU   3   3.059   6.376   0.816
   18   1HD1  LEU   3          1HD1      LEU   3   0.726   6.852   0.204
   19   2HD1  LEU   3          2HD1      LEU   3   0.178   5.505   1.203
   20   3HD1  LEU   3          3HD1      LEU   3   1.148   5.197  -0.238
   21   1HD2  LEU   3          1HD2      LEU   3   2.141   6.353   3.538
   22   2HD2  LEU   3          2HD2      LEU   3   1.010   7.298   2.570
   23   3HD2  LEU   3          3HD2      LEU   3   2.721   7.722   2.591
   24    H    GLY   4           H        GLY   4   4.565   4.122   4.724
   25   1HA   GLY   4          2HA       GLY   4   5.882   1.553   4.504
   26   2HA   GLY   4          1HA       GLY   4   5.348   2.310   6.003
   27    H    PHE   5           H        PHE   5   4.446   0.352   6.817
   28    HA   PHE   5           HA       PHE   5   2.350  -1.032   5.260
   29   1HB   PHE   5          2HB       PHE   5   3.868  -2.399   6.499
   30   2HB   PHE   5          1HB       PHE   5   3.693  -1.409   7.946
   31    HD1  PHE   5           HD1      PHE   5   2.346  -2.252   9.639
   32    HD2  PHE   5           HD2      PHE   5   1.492  -3.327   5.568
   33    HE1  PHE   5           HE1      PHE   5   0.478  -3.688  10.410
   34    HE2  PHE   5           HE2      PHE   5  -0.377  -4.762   6.342
   35    HZ   PHE   5           HZ       PHE   5  -0.883  -4.943   8.761
   36    H    GLY   6           H        GLY   6   0.161  -0.880   5.668
   37   1HA   GLY   6          2HA       GLY   6  -1.855  -0.092   6.549
   38   2HA   GLY   6          1HA       GLY   6  -1.019   0.092   8.090
   39    H    LYS   7           H        LYS   7  -0.484   1.670   4.933
   40    HA   LYS   7           HA       LYS   7  -0.784   4.320   6.311
   41   1HB   LYS   7          2HB       LYS   7   1.015   3.219   4.162
   42   2HB   LYS   7          1HB       LYS   7   0.706   4.954   4.237
   43   1HG   LYS   7          2HG       LYS   7   1.311   3.816   6.864
   44   2HG   LYS   7          1HG       LYS   7   2.625   3.585   5.710
   45   1HD   LYS   7          2HD       LYS   7   3.043   5.833   5.521
   46   2HD   LYS   7          1HD       LYS   7   1.350   6.273   5.746
   47   1HE   LYS   7          2HE       LYS   7   1.571   5.660   8.179
   48   2HE   LYS   7          1HE       LYS   7   3.309   5.427   7.908
   49   1HZ   LYS   7          1HZ       LYS   7   3.450   7.676   7.041
   50   2HZ   LYS   7          2HZ       LYS   7   2.825   7.699   8.620
   51   3HZ   LYS   7          3HZ       LYS   7   1.788   7.908   7.291
   52    H    GLY   8           H        GLY   8  -2.066   5.897   5.266
   53   1HA   GLY   8          2HA       GLY   8  -4.256   5.061   3.679
   54   2HA   GLY   8          1HA       GLY   8  -3.728   6.737   3.838
   55    H    CYS   9           H        CYS   9  -4.098   4.211   1.662
   56    HA   CYS   9           HA       CYS   9  -2.434   5.638  -0.371
   57   1HB   CYS   9          2HB       CYS   9  -1.004   3.882   0.321
   58   2HB   CYS   9          1HB       CYS   9  -2.343   2.754   0.518
   59    H    ASN  10           H        ASN  10  -3.308   5.495  -2.496
   60    HA   ASN  10           HA       ASN  10  -6.117   4.515  -2.636
   61   1HB   ASN  10          2HB       ASN  10  -4.829   6.805  -3.470
   62   2HB   ASN  10          1HB       ASN  10  -4.890   5.863  -4.959
   63   1HD2  ASN  10          1HD2      ASN  10  -6.898   5.745  -6.038
   64   2HD2  ASN  10          2HD2      ASN  10  -8.351   6.351  -5.407
   65    HA   PRO  11           HA       PRO  11  -4.837   0.911  -4.869
   66   1HB   PRO  11          2HB       PRO  11  -7.220   0.329  -6.102
   67   2HB   PRO  11          1HB       PRO  11  -6.909   0.012  -4.383
   68   1HG   PRO  11          2HG       PRO  11  -8.358   2.291  -5.652
   69   2HG   PRO  11          1HG       PRO  11  -8.770   1.362  -4.201
   70   1HD   PRO  11          2HD       PRO  11  -7.630   3.805  -4.072
   71   2HD   PRO  11          1HD       PRO  11  -7.307   2.538  -2.866
   72    H    SER  12           H        SER  12  -5.970   3.820  -6.381
   73    HA   SER  12           HA       SER  12  -5.505   2.875  -9.142
   74   1HB   SER  12          2HB       SER  12  -6.202   5.565  -7.918
   75   2HB   SER  12          1HB       SER  12  -6.147   5.243  -9.648
   76    HG   SER  12           HG       SER  12  -7.971   4.178  -9.506
   77    H    ASN  13           H        ASN  13  -3.950   4.998  -6.729
   78    HA   ASN  13           HA       ASN  13  -1.730   5.657  -8.568
   79   1HB   ASN  13          2HB       ASN  13  -2.676   7.346  -7.057
   80   2HB   ASN  13          1HB       ASN  13  -2.334   6.319  -5.666
   81   1HD2  ASN  13          1HD2      ASN  13  -0.552   7.779  -8.460
   82   2HD2  ASN  13          2HD2      ASN  13   0.849   8.124  -7.567
   83    H    ASP  14           H        ASP  14  -2.224   3.873  -5.523
   84    HA   ASP  14           HA       ASP  14  -0.933   2.225  -4.450
   85   1HB   ASP  14          2HB       ASP  14  -0.729   1.874  -7.351
   86   2HB   ASP  14          1HB       ASP  14   0.661   1.202  -6.498
   87    H    GLN  15           H        GLN  15   0.244   3.907  -3.273
   88    HA   GLN  15           HA       GLN  15   3.010   4.440  -4.304
   89   1HB   GLN  15          2HB       GLN  15   1.160   6.241  -3.736
   90   2HB   GLN  15          1HB       GLN  15   1.666   5.943  -2.074
   91   1HG   GLN  15          2HG       GLN  15   3.418   7.315  -2.400
   92   2HG   GLN  15          1HG       GLN  15   4.041   6.185  -3.602
   93   1HE2  GLN  15          1HE2      GLN  15   3.516   6.607  -5.888
   94   2HE2  GLN  15          2HE2      GLN  15   2.965   8.133  -6.385
   95    H    CYS  16           H        CYS  16   2.115   1.973  -2.799
   96    HA   CYS  16           HA       CYS  16   3.179   2.263  -0.076
   97   1HB   CYS  16          2HB       CYS  16   2.309  -0.076  -1.802
   98   2HB   CYS  16          1HB       CYS  16   2.810  -0.245  -0.121
   99    H    CYS  17           H        CYS  17   5.111   1.061   0.666
  100    HA   CYS  17           HA       CYS  17   7.377   1.340  -1.133
  101   1HB   CYS  17          2HB       CYS  17   7.040   0.060   1.599
  102   2HB   CYS  17          1HB       CYS  17   8.594   0.393   0.838
  103    H    LYS  18           H        LYS  18   7.459  -0.102  -2.842
  104    HA   LYS  18           HA       LYS  18   6.514  -2.824  -2.760
  105   1HB   LYS  18          2HB       LYS  18   7.381  -0.964  -4.641
  106   2HB   LYS  18          1HB       LYS  18   8.625  -2.213  -4.705
  107   1HG   LYS  18          2HG       LYS  18   7.019  -2.983  -6.243
  108   2HG   LYS  18          1HG       LYS  18   6.631  -3.882  -4.777
  109   1HD   LYS  18          2HD       LYS  18   4.933  -2.127  -4.211
  110   2HD   LYS  18          1HD       LYS  18   5.258  -1.368  -5.770
  111   1HE   LYS  18          2HE       LYS  18   4.262  -3.099  -6.976
  112   2HE   LYS  18          1HE       LYS  18   4.562  -4.295  -5.700
  113   1HZ   LYS  18          1HZ       LYS  18   2.989  -3.121  -4.279
  114   2HZ   LYS  18          2HZ       LYS  18   2.236  -3.623  -5.717
  115   3HZ   LYS  18          3HZ       LYS  18   2.682  -1.997  -5.512
  116    H    SER  19           H        SER  19   9.657  -1.330  -2.073
  117    HA   SER  19           HA       SER  19  11.266  -3.713  -2.088
  118   1HB   SER  19          2HB       SER  19  11.436  -1.022  -0.711
  119   2HB   SER  19          1HB       SER  19  12.715  -2.225  -0.577
  120    HG   SER  19           HG       SER  19  13.276  -1.839  -2.578
  121    H    SER  20           H        SER  20   9.067  -2.339   0.301
  122    HA   SER  20           HA       SER  20   9.970  -4.295   2.366
  123   1HB   SER  20          2HB       SER  20   8.264  -1.797   2.335
  124   2HB   SER  20          1HB       SER  20   8.349  -2.844   3.749
  125    HG   SER  20           HG       SER  20  10.267  -1.171   2.619
  126    H    ASN  21           H        ASN  21   8.272  -4.905  -0.133
  127    HA   ASN  21           HA       ASN  21   6.397  -6.206  -0.692
  128   1HB   ASN  21          2HB       ASN  21   7.313  -7.008   2.034
  129   2HB   ASN  21          1HB       ASN  21   5.768  -7.656   1.485
  130   1HD2  ASN  21          1HD2      ASN  21   9.254  -7.635   0.829
  131   2HD2  ASN  21          2HD2      ASN  21   9.230  -8.924  -0.275
  132    H    LEU  22           H        LEU  22   5.399  -3.818  -0.537
  133    HA   LEU  22           HA       LEU  22   3.002  -4.022   1.254
  134   1HB   LEU  22          2HB       LEU  22   4.851  -1.698   0.670
  135   2HB   LEU  22          1HB       LEU  22   3.237  -1.458   1.337
  136    HG   LEU  22           HG       LEU  22   5.236  -3.341   2.602
  137   1HD1  LEU  22          1HD1      LEU  22   5.467  -1.369   4.270
  138   2HD1  LEU  22          2HD1      LEU  22   4.863  -0.369   2.949
  139   3HD1  LEU  22          3HD1      LEU  22   6.363  -1.275   2.754
  140   1HD2  LEU  22          1HD2      LEU  22   2.705  -1.961   3.552
  141   2HD2  LEU  22          2HD2      LEU  22   3.773  -2.895   4.598
  142   3HD2  LEU  22          3HD2      LEU  22   2.924  -3.688   3.272
  143    H    VAL  23           H        VAL  23   1.136  -3.945   0.078
  144    HA   VAL  23           HA       VAL  23   1.186  -2.593  -2.604
  145    HB   VAL  23           HB       VAL  23  -0.405  -4.419  -3.302
  146   1HG1  VAL  23          1HG1      VAL  23   1.611  -6.245  -2.764
  147   2HG1  VAL  23          2HG1      VAL  23   2.442  -4.692  -2.677
  148   3HG1  VAL  23          3HG1      VAL  23   1.564  -5.141  -4.138
  149   1HG2  VAL  23          1HG2      VAL  23  -1.103  -4.965  -0.920
  150   2HG2  VAL  23          2HG2      VAL  23   0.454  -5.771  -0.726
  151   3HG2  VAL  23          3HG2      VAL  23  -0.705  -6.366  -1.914
  152    H    CYS  24           H        CYS  24  -0.734  -1.440  -3.148
  153    HA   CYS  24           HA       CYS  24  -2.291  -0.451  -0.901
  154   1HB   CYS  24          2HB       CYS  24  -1.525   0.545  -3.273
  155   2HB   CYS  24          1HB       CYS  24  -3.128  -0.030  -3.736
  156    H    SER  25           H        SER  25  -4.257  -1.181  -0.192
  157    HA   SER  25           HA       SER  25  -5.430  -3.591  -1.415
  158   1HB   SER  25          2HB       SER  25  -6.022  -1.888   1.020
  159   2HB   SER  25          1HB       SER  25  -6.963  -3.317   0.602
  160    HG   SER  25           HG       SER  25  -5.444  -4.366   1.600
  161    H    ARG  26           H        ARG  26  -7.821  -3.656  -1.826
  162    HA   ARG  26           HA       ARG  26  -8.683  -1.261  -3.348
  163   1HB   ARG  26          2HB       ARG  26  -8.776  -3.990  -3.746
  164   2HB   ARG  26          1HB       ARG  26 -10.420  -3.642  -3.212
  165   1HG   ARG  26          2HG       ARG  26  -9.465  -1.653  -5.119
  166   2HG   ARG  26          1HG       ARG  26  -9.415  -3.282  -5.793
  167   1HD   ARG  26          2HD       ARG  26 -11.639  -3.010  -6.205
  168   2HD   ARG  26          1HD       ARG  26 -11.868  -3.202  -4.455
  169    HE   ARG  26           HE       ARG  26 -11.122  -0.490  -5.360
  170   1HH1  ARG  26          1HH2      ARG  26 -13.801  -0.971  -6.498
  171   2HH1  ARG  26          2HH2      ARG  26 -14.862  -0.531  -5.201
  172   1HH2  ARG  26          2HH1      ARG  26 -12.384  -0.676  -2.772
  173   2HH2  ARG  26          1HH1      ARG  26 -14.057  -0.364  -3.087
  174    H    LYS  27           H        LYS  27 -10.121  -3.464  -0.891
  175    HA   LYS  27           HA       LYS  27 -12.296  -1.576  -0.319
  176   1HB   LYS  27          2HB       LYS  27 -11.872  -4.303  -0.127
  177   2HB   LYS  27          1HB       LYS  27 -11.791  -3.787   1.557
  178   1HG   LYS  27          2HG       LYS  27 -14.004  -2.721  -0.159
  179   2HG   LYS  27          1HG       LYS  27 -14.122  -4.376   0.438
  180   1HD   LYS  27          2HD       LYS  27 -14.940  -3.491   2.349
  181   2HD   LYS  27          1HD       LYS  27 -13.297  -2.940   2.674
  182   1HE   LYS  27          2HE       LYS  27 -14.376  -0.890   2.771
  183   2HE   LYS  27          1HE       LYS  27 -14.099  -0.951   1.019
  184   1HZ   LYS  27          1HZ       LYS  27 -16.513  -1.985   2.418
  185   2HZ   LYS  27          2HZ       LYS  27 -16.239  -2.029   0.741
  186   3HZ   LYS  27          3HZ       LYS  27 -16.440  -0.540   1.534
  187    H    HIS  28           H        HIS  28  -9.155  -2.383   1.084
  188    HA   HIS  28           HA       HIS  28  -9.715  -0.880   3.571
  189   1HB   HIS  28          2HB       HIS  28  -7.180  -2.187   2.526
  190   2HB   HIS  28          1HB       HIS  28  -7.474  -1.668   4.184
  191    HD1  HIS  28           HD1      HIS  28 -10.278  -2.753   4.679
  192    HD2  HIS  28           HD2      HIS  28  -7.329  -4.949   2.715
  193    HE1  HIS  28           HE1      HIS  28 -10.933  -5.188   4.900
  194    H    ARG  29           H        ARG  29  -8.131  -0.389   0.472
  195    HA   ARG  29           HA       ARG  29  -7.071   1.489  -0.468
  196   1HB   ARG  29          2HB       ARG  29  -9.395   2.228   0.736
  197   2HB   ARG  29          1HB       ARG  29  -8.257   3.265   1.596
  198   1HG   ARG  29          2HG       ARG  29  -7.415   4.163  -0.506
  199   2HG   ARG  29          1HG       ARG  29  -8.424   3.045  -1.424
  200   1HD   ARG  29          2HD       ARG  29  -9.747   4.980  -1.458
  201   2HD   ARG  29          1HD       ARG  29 -10.381   4.172  -0.010
  202    HE   ARG  29           HE       ARG  29  -8.389   5.566   1.118
  203   1HH1  ARG  29          1HH2      ARG  29 -11.186   6.716   1.088
  204   2HH1  ARG  29          2HH2      ARG  29 -10.910   8.292   0.423
  205   1HH2  ARG  29          2HH1      ARG  29  -7.754   7.504  -0.809
  206   2HH2  ARG  29          1HH1      ARG  29  -8.959   8.740  -0.656
  207    H    TRP  30           H        TRP  30  -5.416   0.108   1.333
  208    HA   TRP  30           HA       TRP  30  -3.685   2.315   2.260
  209   1HB   TRP  30          2HB       TRP  30  -3.685   1.665   4.539
  210   2HB   TRP  30          1HB       TRP  30  -5.378   1.612   4.072
  211    HD1  TRP  30           HD1      TRP  30  -4.798  -1.312   2.471
  212    HE1  TRP  30           HE1      TRP  30  -4.786  -3.416   3.955
  213    HE3  TRP  30           HE3      TRP  30  -4.063   0.846   7.033
  214    HZ2  TRP  30           HZ2      TRP  30  -4.505  -4.094   6.721
  215    HZ3  TRP  30           HZ3      TRP  30  -3.929  -0.549   9.076
  216    HH2  TRP  30           HH2      TRP  30  -4.148  -3.014   8.927
  217    H    CYS  31           H        CYS  31  -1.578   1.182   3.287
  218    HA   CYS  31           HA       CYS  31  -0.589  -0.648   1.213
  219   1HB   CYS  31          2HB       CYS  31   0.593   0.655   3.679
  220   2HB   CYS  31          1HB       CYS  31   1.525  -0.401   2.620
  221    H    LYS  32           H        LYS  32  -0.741  -2.832   1.378
  222    HA   LYS  32           HA       LYS  32  -1.176  -4.060   4.077
  223   1HB   LYS  32          2HB       LYS  32  -2.831  -4.200   2.077
  224   2HB   LYS  32          1HB       LYS  32  -1.667  -5.323   1.376
  225   1HG   LYS  32          2HG       LYS  32  -1.789  -6.549   3.658
  226   2HG   LYS  32          1HG       LYS  32  -3.264  -5.616   3.917
  227   1HD   LYS  32          2HD       LYS  32  -3.617  -6.552   1.350
  228   2HD   LYS  32          1HD       LYS  32  -2.784  -7.899   2.125
  229   1HE   LYS  32          2HE       LYS  32  -4.593  -7.263   4.070
  230   2HE   LYS  32          1HE       LYS  32  -5.514  -6.852   2.610
  231   1HZ   LYS  32          1HZ       LYS  32  -4.067  -9.407   3.094
  232   2HZ   LYS  32          2HZ       LYS  32  -4.903  -9.005   1.670
  233   3HZ   LYS  32          3HZ       LYS  32  -5.750  -9.203   3.129
  234    H    TYR  33           H        TYR  33   0.291  -5.610   4.795
  235    HA   TYR  33           HA       TYR  33   2.870  -5.828   3.468
  236   1HB   TYR  33          2HB       TYR  33   2.335  -5.838   5.964
  237   2HB   TYR  33          1HB       TYR  33   1.753  -7.488   5.744
  238    HD1  TYR  33           HD1      TYR  33   4.730  -5.378   4.842
  239    HD2  TYR  33           HD2      TYR  33   3.270  -9.224   6.080
  240    HE1  TYR  33           HE1      TYR  33   7.059  -6.217   4.977
  241    HE2  TYR  33           HE2      TYR  33   5.599 -10.063   6.216
  242    HH   TYR  33           HH       TYR  33   8.108  -8.476   6.561
  243    H    GLU  34           H        GLU  34   3.246  -7.187   1.772
  244    HA   GLU  34           HA       GLU  34   1.472  -9.541   1.352
  245   1HB   GLU  34          2HB       GLU  34   2.545  -7.554  -0.279
  246   2HB   GLU  34          1HB       GLU  34   3.544  -8.963  -0.639
  247   1HG   GLU  34          2HG       GLU  34   0.653  -9.532  -0.444
  248   2HG   GLU  34          1HG       GLU  34   1.104  -8.477  -1.783
  249    H    ILE  35           H        ILE  35   2.196 -11.520   1.982
  250    HA   ILE  35           HA       ILE  35   5.102 -12.152   1.820
  251    HB   ILE  35           HB       ILE  35   4.438 -11.166   4.076
  252   1HG1  ILE  35          1HG1      ILE  35   5.312 -13.545   5.196
  253   2HG1  ILE  35          2HG1      ILE  35   5.874 -13.669   3.530
  254   1HG2  ILE  35          1HG2      ILE  35   2.188 -12.362   4.069
  255   2HG2  ILE  35          2HG2      ILE  35   3.067 -13.831   4.491
  256   3HG2  ILE  35          3HG2      ILE  35   3.092 -12.445   5.580
  257   1HD1  ILE  35          1HD1      ILE  35   6.472 -11.049   4.161
  258   2HD1  ILE  35          2HD1      ILE  35   6.786 -11.889   5.679
  259   3HD1  ILE  35          3HD1      ILE  35   7.616 -12.390   4.206
  260   1HN   NH2  36          1HN       NH2  36   4.411 -15.236   0.746
  261   2HN   NH2  36          2HN       NH2  36   5.403 -13.768   0.885
  Start of MODEL   20
    1   1H    GLU   1          1H        GLU   1  -7.267  10.417  -5.069
    2   2H    GLU   1          2H        GLU   1  -8.557   9.312  -5.012
    3   3H    GLU   1          3H        GLU   1  -8.459  10.442  -6.276
    4    HA   GLU   1           HA       GLU   1  -7.764   8.266  -7.071
    5   1HB   GLU   1          2HB       GLU   1  -6.097  10.700  -6.885
    6   2HB   GLU   1          1HB       GLU   1  -5.212   9.254  -7.368
    7   1HG   GLU   1          2HG       GLU   1  -5.958   9.864  -9.448
    8   2HG   GLU   1          1HG       GLU   1  -7.388   8.968  -8.936
    9    H    CYS   2           H        CYS   2  -7.335   6.342  -6.054
   10    HA   CYS   2           HA       CYS   2  -5.292   6.284  -3.868
   11   1HB   CYS   2          2HB       CYS   2  -6.471   4.341  -3.103
   12   2HB   CYS   2          1HB       CYS   2  -7.709   5.507  -3.563
   13    H    LEU   3           H        LEU   3  -4.012   4.152  -3.819
   14    HA   LEU   3           HA       LEU   3  -2.950   3.613  -6.555
   15   1HB   LEU   3          2HB       LEU   3  -1.894   3.013  -3.769
   16   2HB   LEU   3          1HB       LEU   3  -1.010   2.743  -5.269
   17    HG   LEU   3           HG       LEU   3  -2.085   5.457  -4.461
   18   1HD1  LEU   3          1HD1      LEU   3   0.782   4.536  -4.203
   19   2HD1  LEU   3          2HD1      LEU   3  -0.356   4.437  -2.859
   20   3HD1  LEU   3          3HD1      LEU   3   0.047   6.005  -3.559
   21   1HD2  LEU   3          1HD2      LEU   3  -1.622   5.159  -6.856
   22   2HD2  LEU   3          2HD2      LEU   3  -0.009   4.552  -6.483
   23   3HD2  LEU   3          3HD2      LEU   3  -0.420   6.231  -6.137
   24    H    GLY   4           H        GLY   4  -2.730   1.439  -7.311
   25   1HA   GLY   4          2HA       GLY   4  -4.693  -0.446  -6.171
   26   2HA   GLY   4          1HA       GLY   4  -3.830  -0.645  -7.696
   27    H    PHE   5           H        PHE   5  -3.657  -2.905  -6.609
   28    HA   PHE   5           HA       PHE   5  -1.744  -3.225  -4.431
   29   1HB   PHE   5          2HB       PHE   5  -3.498  -4.846  -4.781
   30   2HB   PHE   5          1HB       PHE   5  -3.027  -5.076  -6.464
   31    HD1  PHE   5           HD1      PHE   5  -1.486  -6.749  -7.046
   32    HD2  PHE   5           HD2      PHE   5  -1.729  -5.430  -2.965
   33    HE1  PHE   5           HE1      PHE   5   0.084  -8.545  -6.372
   34    HE2  PHE   5           HE2      PHE   5  -0.160  -7.228  -2.293
   35    HZ   PHE   5           HZ       PHE   5   0.746  -8.785  -3.994
   36    H    GLY   6           H        GLY   6   0.451  -3.736  -4.597
   37   1HA   GLY   6          2HA       GLY   6   2.563  -4.031  -5.576
   38   2HA   GLY   6          1HA       GLY   6   1.744  -4.511  -7.061
   39    H    LYS   7           H        LYS   7   1.199  -1.426  -5.440
   40    HA   LYS   7           HA       LYS   7   2.326  -0.034  -7.839
   41   1HB   LYS   7          2HB       LYS   7  -0.069   0.267  -7.431
   42   2HB   LYS   7          1HB       LYS   7   0.247   0.735  -5.762
   43   1HG   LYS   7          2HG       LYS   7  -0.123   2.751  -7.056
   44   2HG   LYS   7          1HG       LYS   7   1.585   2.680  -6.623
   45   1HD   LYS   7          2HD       LYS   7   1.975   1.564  -8.888
   46   2HD   LYS   7          1HD       LYS   7   0.321   2.022  -9.293
   47   1HE   LYS   7          2HE       LYS   7   1.550   3.858 -10.112
   48   2HE   LYS   7          1HE       LYS   7   1.102   4.422  -8.490
   49   1HZ   LYS   7          1HZ       LYS   7   3.497   4.654  -8.907
   50   2HZ   LYS   7          2HZ       LYS   7   3.617   2.980  -9.166
   51   3HZ   LYS   7          3HZ       LYS   7   3.186   3.577  -7.635
   52    H    GLY   8           H        GLY   8   4.088   1.288  -7.521
   53   1HA   GLY   8          2HA       GLY   8   5.590   1.314  -5.123
   54   2HA   GLY   8          1HA       GLY   8   5.785   2.481  -6.429
   55    H    CYS   9           H        CYS   9   4.894   2.140  -3.210
   56    HA   CYS   9           HA       CYS   9   3.781   4.909  -3.173
   57   1HB   CYS   9          2HB       CYS   9   1.878   4.211  -1.902
   58   2HB   CYS   9          1HB       CYS   9   1.999   3.062  -3.232
   59    H    ASN  10           H        ASN  10   3.834   5.823  -0.924
   60    HA   ASN  10           HA       ASN  10   6.262   4.887   0.518
   61   1HB   ASN  10          2HB       ASN  10   5.567   7.312  -0.311
   62   2HB   ASN  10          1HB       ASN  10   4.667   7.336   1.206
   63   1HD2  ASN  10          1HD2      ASN  10   5.879   8.229   2.877
   64   2HD2  ASN  10          2HD2      ASN  10   7.563   8.096   3.044
   65    HA   PRO  11           HA       PRO  11   3.747   3.055   3.673
   66   1HB   PRO  11          2HB       PRO  11   5.650   2.879   5.636
   67   2HB   PRO  11          1HB       PRO  11   5.591   1.787   4.238
   68   1HG   PRO  11          2HG       PRO  11   7.314   4.171   4.703
   69   2HG   PRO  11          1HG       PRO  11   7.717   2.613   3.964
   70   1HD   PRO  11          2HD       PRO  11   7.235   4.864   2.519
   71   2HD   PRO  11          1HD       PRO  11   6.905   3.228   1.910
   72    H    SER  12           H        SER  12   5.697   5.955   4.360
   73    HA   SER  12           HA       SER  12   4.427   6.659   6.850
   74   1HB   SER  12          2HB       SER  12   6.626   7.474   5.795
   75   2HB   SER  12          1HB       SER  12   5.632   8.545   4.812
   76    HG   SER  12           HG       SER  12   5.584   9.805   6.482
   77    H    ASN  13           H        ASN  13   3.805   7.666   3.464
   78    HA   ASN  13           HA       ASN  13   1.498   9.310   4.239
   79   1HB   ASN  13          2HB       ASN  13   3.258   9.470   2.248
   80   2HB   ASN  13          1HB       ASN  13   2.090   8.429   1.434
   81   1HD2  ASN  13          1HD2      ASN  13   2.866  11.618   1.672
   82   2HD2  ASN  13          2HD2      ASN  13   1.328  12.315   1.494
   83    H    ASP  14           H        ASP  14   2.011   6.252   2.476
   84    HA   ASP  14           HA       ASP  14   0.556   4.463   2.006
   85   1HB   ASP  14          2HB       ASP  14   0.449   5.092   4.667
   86   2HB   ASP  14          1HB       ASP  14  -1.255   5.209   4.229
   87    H    GLN  15           H        GLN  15  -0.193   5.599   0.033
   88    HA   GLN  15           HA       GLN  15  -2.929   6.804   0.292
   89   1HB   GLN  15          2HB       GLN  15  -0.580   7.167  -1.555
   90   2HB   GLN  15          1HB       GLN  15  -2.196   7.610  -2.105
   91   1HG   GLN  15          2HG       GLN  15  -2.388   8.922   0.112
   92   2HG   GLN  15          1HG       GLN  15  -0.637   8.738   0.220
   93   1HE2  GLN  15          1HE2      GLN  15   0.574  10.316  -0.860
   94   2HE2  GLN  15          2HE2      GLN  15  -0.030  11.334  -2.077
   95    H    CYS  16           H        CYS  16  -2.492   3.900   0.251
   96    HA   CYS  16           HA       CYS  16  -3.162   3.006  -2.482
   97   1HB   CYS  16          2HB       CYS  16  -1.760   1.901  -0.485
   98   2HB   CYS  16          1HB       CYS  16  -3.346   1.252  -0.068
   99    H    CYS  17           H        CYS  17  -5.124   1.485  -2.676
  100    HA   CYS  17           HA       CYS  17  -7.517   2.902  -1.741
  101   1HB   CYS  17          2HB       CYS  17  -6.717   1.183  -3.866
  102   2HB   CYS  17          1HB       CYS  17  -8.042   0.379  -3.026
  103    H    LYS  18           H        LYS  18  -8.648   2.382   0.080
  104    HA   LYS  18           HA       LYS  18  -7.847   0.112   1.754
  105   1HB   LYS  18          2HB       LYS  18  -9.834   2.380   1.895
  106   2HB   LYS  18          1HB       LYS  18  -9.836   1.106   3.114
  107   1HG   LYS  18          2HG       LYS  18  -7.843   1.778   4.021
  108   2HG   LYS  18          1HG       LYS  18  -7.189   2.292   2.466
  109   1HD   LYS  18          2HD       LYS  18  -7.720   4.423   2.942
  110   2HD   LYS  18          1HD       LYS  18  -9.420   3.972   3.068
  111   1HE   LYS  18          2HE       LYS  18  -7.735   3.243   5.408
  112   2HE   LYS  18          1HE       LYS  18  -8.016   4.978   5.164
  113   1HZ   LYS  18          1HZ       LYS  18 -10.128   2.882   5.158
  114   2HZ   LYS  18          2HZ       LYS  18 -10.377   4.551   4.956
  115   3HZ   LYS  18          3HZ       LYS  18  -9.817   3.946   6.442
  116    H    SER  19           H        SER  19 -10.345   0.752  -0.616
  117    HA   SER  19           HA       SER  19 -12.358  -1.093   0.204
  118   1HB   SER  19          2HB       SER  19 -12.377   0.712  -1.610
  119   2HB   SER  19          1HB       SER  19 -11.527  -0.440  -2.635
  120    HG   SER  19           HG       SER  19 -13.843  -0.486  -2.853
  121    H    SER  20           H        SER  20  -9.347  -1.588  -1.634
  122    HA   SER  20           HA       SER  20  -9.994  -4.477  -1.981
  123   1HB   SER  20          2HB       SER  20  -8.400  -2.417  -3.320
  124   2HB   SER  20          1HB       SER  20  -7.512  -3.925  -3.119
  125    HG   SER  20           HG       SER  20  -8.893  -4.920  -4.404
  126    H    ASN  21           H        ASN  21  -8.978  -2.949   0.609
  127    HA   ASN  21           HA       ASN  21  -7.535  -3.440   2.406
  128   1HB   ASN  21          2HB       ASN  21  -8.800  -5.667   1.601
  129   2HB   ASN  21          1HB       ASN  21  -7.146  -6.176   1.263
  130   1HD2  ASN  21          1HD2      ASN  21  -8.585  -4.217   3.950
  131   2HD2  ASN  21          2HD2      ASN  21  -7.924  -5.178   5.184
  132    H    LEU  22           H        LEU  22  -6.046  -1.981   0.847
  133    HA   LEU  22           HA       LEU  22  -3.538  -3.542   0.299
  134   1HB   LEU  22          2HB       LEU  22  -4.685  -1.103  -1.098
  135   2HB   LEU  22          1HB       LEU  22  -3.157  -1.880  -1.507
  136    HG   LEU  22           HG       LEU  22  -5.807  -3.337  -1.526
  137   1HD1  LEU  22          1HD1      LEU  22  -5.915  -1.557  -3.183
  138   2HD1  LEU  22          2HD1      LEU  22  -5.664  -3.094  -4.011
  139   3HD1  LEU  22          3HD1      LEU  22  -4.313  -1.981  -3.789
  140   1HD2  LEU  22          1HD2      LEU  22  -3.872  -4.800  -1.330
  141   2HD2  LEU  22          2HD2      LEU  22  -3.048  -3.947  -2.635
  142   3HD2  LEU  22          3HD2      LEU  22  -4.486  -4.909  -2.980
  143    H    VAL  23           H        VAL  23  -1.709  -2.782   1.305
  144    HA   VAL  23           HA       VAL  23  -1.779  -0.042   2.529
  145    HB   VAL  23           HB       VAL  23  -0.525  -2.466   3.836
  146   1HG1  VAL  23          1HG1      VAL  23  -0.932   0.362   4.474
  147   2HG1  VAL  23          2HG1      VAL  23   0.183  -0.801   5.192
  148   3HG1  VAL  23          3HG1      VAL  23  -1.485  -0.712   5.759
  149   1HG2  VAL  23          1HG2      VAL  23  -2.818  -3.128   3.642
  150   2HG2  VAL  23          2HG2      VAL  23  -3.390  -1.496   3.989
  151   3HG2  VAL  23          3HG2      VAL  23  -2.657  -2.463   5.269
  152    H    CYS  24           H        CYS  24   0.443   0.825   2.895
  153    HA   CYS  24           HA       CYS  24   2.250   0.095   0.692
  154   1HB   CYS  24          2HB       CYS  24   2.110   2.220   2.824
  155   2HB   CYS  24          1HB       CYS  24   3.566   2.033   1.847
  156    H    SER  25           H        SER  25   4.280  -0.870   0.911
  157    HA   SER  25           HA       SER  25   4.828  -2.198   3.527
  158   1HB   SER  25          2HB       SER  25   5.823  -2.648   0.696
  159   2HB   SER  25          1HB       SER  25   6.280  -3.635   2.080
  160    HG   SER  25           HG       SER  25   4.552  -4.632   1.133
  161    H    ARG  26           H        ARG  26   7.323  -2.528   3.860
  162    HA   ARG  26           HA       ARG  26   8.631   0.154   3.641
  163   1HB   ARG  26          2HB       ARG  26   8.127  -1.155   5.841
  164   2HB   ARG  26          1HB       ARG  26   9.493  -2.166   5.369
  165   1HG   ARG  26          2HG       ARG  26   9.846   0.806   5.299
  166   2HG   ARG  26          1HG       ARG  26   9.852   0.003   6.869
  167   1HD   ARG  26          2HD       ARG  26  11.487  -1.379   4.837
  168   2HD   ARG  26          1HD       ARG  26  12.069   0.244   5.255
  169    HE   ARG  26           HE       ARG  26  11.871  -2.044   7.107
  170   1HH1  ARG  26          1HH2      ARG  26  14.097   0.106   6.719
  171   2HH1  ARG  26          2HH2      ARG  26  13.970   0.945   8.229
  172   1HH2  ARG  26          2HH1      ARG  26  10.883  -0.427   9.038
  173   2HH2  ARG  26          1HH1      ARG  26  12.148   0.642   9.544
  174    H    LYS  27           H        LYS  27   9.452  -3.340   3.443
  175    HA   LYS  27           HA       LYS  27  12.046  -2.910   2.231
  176   1HB   LYS  27          2HB       LYS  27  10.159  -5.182   2.753
  177   2HB   LYS  27          1HB       LYS  27  11.502  -5.452   1.641
  178   1HG   LYS  27          2HG       LYS  27  12.742  -4.144   3.722
  179   2HG   LYS  27          1HG       LYS  27  11.530  -5.109   4.565
  180   1HD   LYS  27          2HD       LYS  27  13.274  -6.329   2.426
  181   2HD   LYS  27          1HD       LYS  27  13.831  -6.206   4.094
  182   1HE   LYS  27          2HE       LYS  27  12.694  -8.119   4.535
  183   2HE   LYS  27          1HE       LYS  27  11.189  -7.229   4.235
  184   1HZ   LYS  27          1HZ       LYS  27  11.439  -7.651   1.870
  185   2HZ   LYS  27          2HZ       LYS  27  11.416  -9.120   2.723
  186   3HZ   LYS  27          3HZ       LYS  27  12.885  -8.495   2.144
  187    H    HIS  28           H        HIS  28   8.828  -3.750   0.920
  188    HA   HIS  28           HA       HIS  28   9.853  -3.707  -1.856
  189   1HB   HIS  28          2HB       HIS  28   7.120  -4.163  -0.614
  190   2HB   HIS  28          1HB       HIS  28   7.477  -4.350  -2.331
  191    HD1  HIS  28           HD1      HIS  28  10.079  -5.853  -2.346
  192    HD2  HIS  28           HD2      HIS  28   7.040  -6.741   0.366
  193    HE1  HIS  28           HE1      HIS  28  10.482  -8.230  -1.572
  194    H    ARG  29           H        ARG  29   8.272  -1.545   0.385
  195    HA   ARG  29           HA       ARG  29   7.412   0.636   0.141
  196   1HB   ARG  29          2HB       ARG  29   9.552   0.308  -1.954
  197   2HB   ARG  29          1HB       ARG  29   8.650   1.820  -1.860
  198   1HG   ARG  29          2HG       ARG  29   9.499   2.365   0.224
  199   2HG   ARG  29          1HG       ARG  29   9.766   0.681   0.672
  200   1HD   ARG  29          2HD       ARG  29  11.361   1.861  -1.594
  201   2HD   ARG  29          1HD       ARG  29  11.847   2.179   0.082
  202    HE   ARG  29           HE       ARG  29  11.308  -0.637  -0.726
  203   1HH1  ARG  29          2HH1      ARG  29  13.956   0.579  -1.692
  204   2HH1  ARG  29          1HH1      ARG  29  15.026   0.077  -0.426
  205   1HH2  ARG  29          1HH2      ARG  29  12.465  -0.736   1.775
  206   2HH2  ARG  29          2HH2      ARG  29  14.180  -0.670   1.541
  207    H    TRP  30           H        TRP  30   5.681  -1.302  -0.892
  208    HA   TRP  30           HA       TRP  30   4.359   0.223  -3.066
  209   1HB   TRP  30          2HB       TRP  30   4.292  -1.650  -4.555
  210   2HB   TRP  30          1HB       TRP  30   5.955  -1.531  -4.001
  211    HD1  TRP  30           HD1      TRP  30   4.782  -2.921  -1.057
  212    HE1  TRP  30           HE1      TRP  30   4.703  -5.493  -1.047
  213    HE3  TRP  30           HE3      TRP  30   4.997  -3.824  -6.076
  214    HZ2  TRP  30           HZ2      TRP  30   4.732  -7.653  -2.920
  215    HZ3  TRP  30           HZ3      TRP  30   4.972  -6.146  -6.935
  216    HH2  TRP  30           HH2      TRP  30   4.840  -8.061  -5.365
  217    H    CYS  31           H        CYS  31   2.190  -1.196  -3.607
  218    HA   CYS  31           HA       CYS  31   0.747  -1.311  -1.048
  219   1HB   CYS  31          2HB       CYS  31   0.101  -1.428  -3.980
  220   2HB   CYS  31          1HB       CYS  31  -1.121  -1.914  -2.807
  221    H    LYS  32           H        LYS  32   0.437  -3.169   0.089
  222    HA   LYS  32           HA       LYS  32   0.865  -5.792  -1.305
  223   1HB   LYS  32          2HB       LYS  32   1.563  -6.580   0.938
  224   2HB   LYS  32          1HB       LYS  32   2.516  -5.185   0.434
  225   1HG   LYS  32          2HG       LYS  32   1.688  -3.868   2.092
  226   2HG   LYS  32          1HG       LYS  32   0.050  -4.489   1.895
  227   1HD   LYS  32          2HD       LYS  32   0.447  -5.503   3.894
  228   2HD   LYS  32          1HD       LYS  32   1.307  -6.688   2.912
  229   1HE   LYS  32          2HE       LYS  32   2.918  -4.308   3.620
  230   2HE   LYS  32          1HE       LYS  32   2.455  -5.327   4.996
  231   1HZ   LYS  32          1HZ       LYS  32   3.236  -7.268   3.802
  232   2HZ   LYS  32          2HZ       LYS  32   4.491  -6.131   3.930
  233   3HZ   LYS  32          3HZ       LYS  32   3.658  -6.317   2.462
  234    H    TYR  33           H        TYR  33  -0.465  -7.612  -0.358
  235    HA   TYR  33           HA       TYR  33  -3.190  -6.627   0.421
  236   1HB   TYR  33          2HB       TYR  33  -2.608  -7.885  -1.811
  237   2HB   TYR  33          1HB       TYR  33  -2.575  -9.318  -0.784
  238    HD1  TYR  33           HD1      TYR  33  -4.632  -9.646   0.815
  239    HD2  TYR  33           HD2      TYR  33  -4.649  -7.122  -2.663
  240    HE1  TYR  33           HE1      TYR  33  -7.109  -9.733   0.762
  241    HE2  TYR  33           HE2      TYR  33  -7.125  -7.211  -2.714
  242    HH   TYR  33           HH       TYR  33  -8.989  -7.775  -0.509
  243    H    GLU  34           H        GLU  34  -3.000  -6.747   2.697
  244    HA   GLU  34           HA       GLU  34  -1.764  -8.952   4.104
  245   1HB   GLU  34          2HB       GLU  34  -2.903  -7.898   6.060
  246   2HB   GLU  34          1HB       GLU  34  -2.057  -6.713   5.070
  247   1HG   GLU  34          2HG       GLU  34  -3.978  -5.575   4.799
  248   2HG   GLU  34          1HG       GLU  34  -4.695  -6.981   4.016
  249    H    ILE  35           H        ILE  35  -2.650 -10.899   4.729
  250    HA   ILE  35           HA       ILE  35  -4.164 -12.700   4.797
  251    HB   ILE  35           HB       ILE  35  -6.087 -10.401   5.299
  252   1HG1  ILE  35          2HG1      ILE  35  -4.150 -10.249   6.789
  253   2HG1  ILE  35          1HG1      ILE  35  -5.549 -10.809   7.702
  254   1HG2  ILE  35          1HG2      ILE  35  -7.418 -12.326   5.065
  255   2HG2  ILE  35          2HG2      ILE  35  -7.119 -12.265   6.801
  256   3HG2  ILE  35          3HG2      ILE  35  -6.196 -13.373   5.786
  257   1HD1  ILE  35          1HD1      ILE  35  -4.424 -13.168   6.763
  258   2HD1  ILE  35          2HD1      ILE  35  -4.230 -12.515   8.389
  259   3HD1  ILE  35          3HD1      ILE  35  -3.019 -12.177   7.153
  260   1HN   NH2  36          1HN       NH2  36  -7.213 -11.910   3.420
  261   2HN   NH2  36          2HN       NH2  36  -6.599 -13.196   2.527