*HEADER    LIGASE                                  01-DEC-15   2N9O              
*TITLE     SOLUTION STRUCTURE OF RNF126 N-TERMINAL ZINC FINGER DOMAIN            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE RNF126;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL ZINC FINGER DOMAIN RESIDUES 1-40;               
*COMPND   5 SYNONYM: RING FINGER PROTEIN 126;                                    
*COMPND   6 EC: 6.3.2.-;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: RNF126;                                                        
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET28                                      
*KEYWDS    ZINC FINGER, E3 LIGASE, LIGASE                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.MARTINEZ-LUMBRERAS, E.M.KRYSZTOFINSKA, A.THAPALIYA, R.L.ISAACSON    
*REVDAT   1   25-MAY-16 2N9O    0                                                


assign (segid "   A" and resid   37 and name HD11) (segid "   A" and resid   37 and name   HB) 2.374 0.705 0.705 weight 1.000 ! spec=40_7, no=1, id=0, vol=6.774643e+06
    or (segid "   A" and resid   37 and name HD12) (segid "   A" and resid   37 and name   HB)
    or (segid "   A" and resid   37 and name HD13) (segid "   A" and resid   37 and name   HB)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HA1) 2.311 0.668 0.668 weight 1.000 ! spec=40_7, no=2, id=1, vol=7.961158e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HA1) 2.186 0.597 0.597 weight 1.000 ! spec=40_7, no=4, id=2, vol=1.111672e+07
assign (segid "   A" and resid    9 and name  HA2) (segid "   A" and resid    9 and name  HA1) 1.857 0.431 0.431 weight 1.000 ! spec=40_7, no=6, id=3, vol=2.962238e+07
assign (segid "   A" and resid    9 and name  HA2) (segid "   A" and resid    9 and name   HN) 2.230 0.622 0.622 weight 1.000 ! spec=40_7, no=8, id=5, vol=9.864697e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HA) 2.374 0.705 0.705 weight 1.000 ! spec=40_7, no=11, id=6, vol=6.770816e+06
assign (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    4 and name   HN) 2.567 0.824 0.824 weight 1.000 ! spec=40_7, no=14, id=9, vol=4.238203e+06
    or (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name   HN)
    or (segid "   A" and resid    4 and name  HB3) (segid "   A" and resid    4 and name   HN)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.228 1.303 1.303 weight 1.000 ! spec=40_7, no=15, id=10, vol=1.071482e+06
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB3)
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name   HA) 2.808 0.986 0.986 weight 1.000 ! spec=40_7, no=17, id=12, vol=2.472804e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name   HA) 2.667 0.889 0.889 weight 1.000 ! spec=40_7, no=18, id=13, vol=3.370742e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HG22) 2.885 1.041 1.041 weight 1.000 ! spec=40_7, no=21, id=15, vol=2.103326e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HG11) 2.361 0.697 0.697 weight 1.000 ! spec=40_7, no=23, id=17, vol=7.000126e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HG13)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HG12)
assign (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG11) 1.983 0.491 0.491 weight 1.000 ! spec=40_7, no=31, id=23, vol=1.997010e+07
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG13)
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG12)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG22) 2.638 0.870 0.870 weight 1.000 ! spec=40_7, no=32, id=24, vol=3.604107e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG12) 2.893 1.046 1.046 weight 1.000 ! spec=40_7, no=33, id=25, vol=2.069185e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG11)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG13)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HB) 3.173 1.259 1.259 weight 1.000 ! spec=40_7, no=34, id=26, vol=1.188383e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA) 2.699 0.911 0.911 weight 1.000 ! spec=40_7, no=35, id=27, vol=3.137280e+06
assign (segid "   A" and resid   18 and name HG22) (segid "   A" and resid   18 and name   HA) 2.404 0.723 0.723 weight 1.000 ! spec=40_7, no=38, id=30, vol=6.279088e+06
    or (segid "   A" and resid   18 and name HG21) (segid "   A" and resid   18 and name   HA)
    or (segid "   A" and resid   18 and name HG23) (segid "   A" and resid   18 and name   HA)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD21) 3.090 1.193 1.193 weight 1.000 ! spec=40_7, no=45, id=37, vol=1.394959e+06
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name   HA) 2.439 0.744 0.744 weight 1.000 ! spec=40_7, no=52, id=39, vol=5.763274e+06
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name   HA) 2.417 0.730 0.730 weight 1.000 ! spec=40_7, no=59, id=41, vol=6.079097e+06
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name   HA) 2.585 0.836 0.836 weight 1.000 ! spec=40_7, no=61, id=42, vol=4.062233e+06
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name HD21) 2.892 1.045 1.045 weight 1.000 ! spec=40_7, no=67, id=48, vol=2.075075e+06
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD21) 2.375 0.705 0.705 weight 1.000 ! spec=40_7, no=69, id=49, vol=6.766442e+06
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name HD13) 2.764 0.955 0.955 weight 1.000 ! spec=40_7, no=77, id=50, vol=2.721143e+06
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name HD12)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD13) 2.524 0.797 0.797 weight 1.000 ! spec=40_7, no=79, id=51, vol=4.688126e+06
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD12)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name HD11) 2.998 1.124 1.124 weight 1.000 ! spec=40_7, no=81, id=52, vol=1.670033e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name HD13)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HB2) 2.090 0.546 0.546 weight 1.000 ! spec=40_7, no=84, id=54, vol=1.455426e+07
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name   HA) 2.440 0.744 0.744 weight 1.000 ! spec=40_7, no=85, id=55, vol=5.750101e+06
assign (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   28 and name HD12) 1.954 0.477 0.477 weight 1.000 ! spec=40_7, no=93, id=58, vol=2.181804e+07
    or (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   28 and name HD11)
    or (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   28 and name HD13)
assign (segid "   A" and resid   40 and name HD11) (segid "   A" and resid   40 and name   HN) 2.783 0.968 0.968 weight 1.000 ! spec=40_7, no=94, id=59, vol=2.610507e+06
    or (segid "   A" and resid   40 and name HD12) (segid "   A" and resid   40 and name   HN)
    or (segid "   A" and resid   40 and name HD13) (segid "   A" and resid   40 and name   HN)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name HD21) 2.946 1.085 1.085 weight 1.000 ! spec=40_7, no=95, id=60, vol=1.854347e+06
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name HD23)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name HD22)
assign (segid "   A" and resid   40 and name HD21) (segid "   A" and resid   40 and name   HG) 1.844 0.425 0.425 weight 1.000 ! spec=40_7, no=99, id=62, vol=3.083945e+07
    or (segid "   A" and resid   40 and name HD23) (segid "   A" and resid   40 and name   HG)
    or (segid "   A" and resid   40 and name HD22) (segid "   A" and resid   40 and name   HG)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   24 and name HD13) 2.788 0.971 0.971 weight 1.000 ! spec=40_7, no=103, id=64, vol=2.584881e+06
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   24 and name HD13)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   24 and name HD12)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HG12) 2.701 0.912 0.912 weight 1.000 ! spec=40_7, no=105, id=65, vol=3.122162e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HB) 2.705 0.914 0.914 weight 1.000 ! spec=40_7, no=106, id=66, vol=3.099770e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HG21) 2.732 0.933 0.933 weight 1.000 ! spec=40_7, no=112, id=70, vol=2.918369e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HG22)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HG23)
assign (segid "   A" and resid   28 and name HG21) (segid "   A" and resid   28 and name   HB) 1.893 0.448 0.448 weight 1.000 ! spec=40_7, no=115, id=73, vol=2.635741e+07
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   28 and name   HB)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   28 and name   HB)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HG22) 2.554 0.816 0.816 weight 1.000 ! spec=40_7, no=117, id=75, vol=4.368486e+06
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HG11) 2.469 0.762 0.762 weight 1.000 ! spec=40_7, no=118, id=76, vol=5.358934e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name   HA) 2.799 0.979 0.979 weight 1.000 ! spec=40_7, no=120, id=77, vol=2.523259e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HD11) 3.066 1.175 1.175 weight 1.000 ! spec=40_7, no=125, id=82, vol=1.461602e+06
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HD13)
assign (segid "   A" and resid   37 and name HD11) (segid "   A" and resid   37 and name HG12) 2.202 0.606 0.606 weight 1.000 ! spec=40_7, no=132, id=89, vol=1.063778e+07
    or (segid "   A" and resid   37 and name HD12) (segid "   A" and resid   37 and name HG12)
    or (segid "   A" and resid   37 and name HD13) (segid "   A" and resid   37 and name HG12)
assign (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   37 and name HD11) 1.966 0.483 0.483 weight 1.000 ! spec=40_7, no=133, id=90, vol=2.103272e+07
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   37 and name HD13)
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   37 and name HD11)
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   37 and name HD13)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   37 and name HD11)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   37 and name HD13)
assign (segid "   A" and resid   37 and name HG11) (segid "   A" and resid   37 and name HD11) 2.112 0.558 0.558 weight 1.000 ! spec=40_7, no=134, id=91, vol=1.366058e+07
    or (segid "   A" and resid   37 and name HG11) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   37 and name HG11) (segid "   A" and resid   37 and name HD13)
assign (segid "   A" and resid   40 and name   HG) (segid "   A" and resid   11 and name   HA) 2.317 0.671 0.671 weight 1.000 ! spec=40_7, no=138, id=95, vol=7.832823e+06
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name   HN) 2.802 0.981 0.981 weight 1.000 ! spec=40_7, no=141, id=98, vol=2.508952e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name   HA) 2.598 0.844 0.844 weight 1.000 ! spec=40_7, no=149, id=99, vol=3.944712e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name  HB2) 2.377 0.706 0.706 weight 1.000 ! spec=40_7, no=150, id=100, vol=6.734090e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HA) 2.707 0.916 0.916 weight 1.000 ! spec=40_7, no=155, id=105, vol=3.084044e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HB1) 2.362 0.698 0.698 weight 1.000 ! spec=40_7, no=156, id=106, vol=6.981828e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HB2) 2.275 0.647 0.647 weight 1.000 ! spec=40_7, no=157, id=107, vol=8.751706e+06
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   16 and name   HN) 2.758 0.951 0.951 weight 1.000 ! spec=40_7, no=162, id=112, vol=2.753979e+06
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   16 and name   HN) 2.810 0.987 0.987 weight 1.000 ! spec=40_7, no=163, id=113, vol=2.462596e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB2) 2.841 1.009 1.009 weight 1.000 ! spec=40_7, no=165, id=115, vol=2.306905e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   29 and name  HB1) 2.230 0.621 0.621 weight 1.000 ! spec=40_7, no=168, id=116, vol=9.879007e+06
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name   HN) 2.395 0.717 0.717 weight 1.000 ! spec=40_7, no=173, id=121, vol=6.432921e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB1) 2.979 1.110 1.110 weight 1.000 ! spec=40_7, no=175, id=123, vol=1.734430e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB2) 3.000 1.125 1.125 weight 1.000 ! spec=40_7, no=176, id=124, vol=1.663182e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA) 2.849 1.015 1.015 weight 1.000 ! spec=40_7, no=177, id=125, vol=2.268847e+06
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name   HA) 2.695 0.908 0.908 weight 1.000 ! spec=40_7, no=179, id=126, vol=3.164455e+06
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name   HA) 2.673 0.893 0.893 weight 1.000 ! spec=40_7, no=180, id=127, vol=3.324557e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name   HA) 2.661 0.885 0.885 weight 1.000 ! spec=40_7, no=181, id=128, vol=3.417761e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB2) 2.534 0.803 0.803 weight 1.000 ! spec=40_7, no=182, id=129, vol=4.581433e+06
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name   HA) 3.158 1.247 1.247 weight 1.000 ! spec=40_7, no=184, id=130, vol=1.223093e+06
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name   HN) 2.660 0.885 0.885 weight 1.000 ! spec=40_7, no=185, id=131, vol=3.423140e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB2) 2.790 0.973 0.973 weight 1.000 ! spec=40_7, no=186, id=132, vol=2.572354e+06
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name  HD2) 2.791 0.974 0.974 weight 1.000 ! spec=40_7, no=188, id=134, vol=2.564387e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HA) 2.702 0.913 0.913 weight 1.000 ! spec=40_7, no=195, id=139, vol=3.117478e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HD2) 3.178 1.263 1.263 weight 1.000 ! spec=40_7, no=196, id=140, vol=1.176679e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB2) 2.371 0.703 0.703 weight 1.000 ! spec=40_7, no=197, id=141, vol=6.823506e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB1) 2.675 0.894 0.894 weight 1.000 ! spec=40_7, no=198, id=142, vol=3.314925e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HG2) 2.507 0.786 0.786 weight 1.000 ! spec=40_7, no=199, id=143, vol=4.886116e+06
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   34 and name  HB2) 3.031 1.148 1.148 weight 1.000 ! spec=40_7, no=203, id=146, vol=1.565585e+06
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name  HD2) 3.161 1.249 1.249 weight 1.000 ! spec=40_7, no=210, id=153, vol=1.215538e+06
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name  HG2) 2.200 0.605 0.605 weight 1.000 ! spec=40_7, no=213, id=156, vol=1.071062e+07
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HA) 2.798 0.979 0.979 weight 1.000 ! spec=40_7, no=215, id=158, vol=2.528594e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB2) 2.742 0.940 0.940 weight 1.000 ! spec=40_7, no=216, id=159, vol=2.855287e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB1) 2.982 1.112 1.112 weight 1.000 ! spec=40_7, no=217, id=160, vol=1.723811e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB2) 3.432 1.472 1.472 weight 1.000 ! spec=40_7, no=220, id=163, vol=7.425390e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB1) 2.785 0.969 0.969 weight 1.000 ! spec=40_7, no=221, id=164, vol=2.602326e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HA) 2.198 0.604 0.604 weight 1.000 ! spec=40_7, no=222, id=165, vol=1.076388e+07
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HB2) 2.561 0.820 0.820 weight 1.000 ! spec=40_7, no=226, id=169, vol=4.304767e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HB1) 2.504 0.784 0.784 weight 1.000 ! spec=40_7, no=228, id=170, vol=4.916410e+06
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name   HN) 3.418 1.460 1.460 weight 1.000 ! spec=40_7, no=231, id=173, vol=7.614950e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name   HA) 2.953 1.090 1.090 weight 1.000 ! spec=40_7, no=234, id=176, vol=1.829084e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB2) 2.492 0.777 0.777 weight 1.000 ! spec=40_7, no=235, id=177, vol=5.060690e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.860 1.023 1.023 weight 1.000 ! spec=40_7, no=236, id=178, vol=2.214911e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB2) 2.646 0.875 0.875 weight 1.000 ! spec=40_7, no=238, id=180, vol=3.533424e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HA) 2.778 0.965 0.965 weight 1.000 ! spec=40_7, no=247, id=185, vol=2.637975e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB2) 2.261 0.639 0.639 weight 1.000 ! spec=40_7, no=248, id=186, vol=9.083367e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name   HA) 2.706 0.915 0.915 weight 1.000 ! spec=40_7, no=251, id=189, vol=3.089879e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HB2) 2.560 0.819 0.819 weight 1.000 ! spec=40_7, no=252, id=190, vol=4.312143e+06
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   36 and name  HB1) 1.787 0.399 0.399 weight 1.000 ! spec=40_7, no=254, id=191, vol=3.730273e+07
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   36 and name   HA) 2.727 0.930 0.930 weight 1.000 ! spec=40_7, no=256, id=193, vol=2.948836e+06
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   36 and name   HN) 2.785 0.970 0.970 weight 1.000 ! spec=40_7, no=257, id=194, vol=2.598524e+06
assign (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   22 and name  HG2) 2.642 0.872 0.872 weight 1.000 ! spec=40_7, no=262, id=199, vol=3.568494e+06
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   22 and name  HG2) 2.486 0.773 0.773 weight 1.000 ! spec=40_7, no=263, id=200, vol=5.137629e+06
assign (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   22 and name  HB2) 3.122 1.218 1.218 weight 1.000 ! spec=40_7, no=265, id=201, vol=1.311067e+06
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HG2) 2.890 1.044 1.044 weight 1.000 ! spec=40_7, no=275, id=208, vol=2.080681e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   11 and name   HA) 2.414 0.729 0.729 weight 1.000 ! spec=40_7, no=285, id=212, vol=6.124259e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   11 and name  HB1) 2.108 0.555 0.555 weight 1.000 ! spec=40_7, no=287, id=213, vol=1.383398e+07
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   11 and name  HB2) 2.131 0.568 0.568 weight 1.000 ! spec=40_7, no=288, id=214, vol=1.295787e+07
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   36 and name  HB2) 2.737 0.937 0.937 weight 1.000 ! spec=40_7, no=300, id=217, vol=2.884598e+06
    or (segid "   A" and resid   36 and name  HD2) (segid "   A" and resid   36 and name  HB2)
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   36 and name  HB1) 2.400 0.720 0.720 weight 1.000 ! spec=40_7, no=301, id=218, vol=6.356322e+06
    or (segid "   A" and resid   36 and name  HD2) (segid "   A" and resid   36 and name  HB1)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HA) 2.213 0.612 0.612 weight 1.000 ! spec=40_7, no=305, id=220, vol=1.032449e+07
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name   HA) 2.511 0.788 0.788 weight 1.000 ! spec=40_7, no=306, id=221, vol=4.843347e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name   HA) 2.460 0.756 0.756 weight 1.000 ! spec=40_7, no=313, id=225, vol=5.474496e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB2) 2.201 0.605 0.605 weight 1.000 ! spec=40_7, no=314, id=226, vol=1.067598e+07
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB1) 2.330 0.679 0.679 weight 1.000 ! spec=40_7, no=315, id=227, vol=7.582334e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB2) 3.029 1.147 1.147 weight 1.000 ! spec=40_7, no=316, id=228, vol=1.570385e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB1) 3.016 1.137 1.137 weight 1.000 ! spec=40_7, no=317, id=229, vol=1.612533e+06
assign (segid "   A" and resid    3 and name  HG2) (segid "   A" and resid    3 and name  HB1) 1.903 0.452 0.452 weight 1.000 ! spec=40_7, no=319, id=230, vol=2.558561e+07
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HN) 2.629 0.864 0.864 weight 1.000 ! spec=40_7, no=322, id=233, vol=3.675957e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name   HN) 2.464 0.759 0.759 weight 1.000 ! spec=40_7, no=323, id=234, vol=5.424225e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HA) 3.450 1.488 1.488 weight 1.000 ! spec=40_7, no=326, id=237, vol=7.199390e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name   HA) 3.507 1.537 1.537 weight 1.000 ! spec=40_7, no=327, id=238, vol=6.522350e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HA) 2.975 1.107 1.107 weight 1.000 ! spec=40_7, no=328, id=239, vol=1.748344e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB1) 2.749 0.944 0.944 weight 1.000 ! spec=40_7, no=329, id=240, vol=2.812895e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HA) 3.543 1.569 1.569 weight 1.000 ! spec=40_7, no=331, id=242, vol=6.133100e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB1) 2.786 0.970 0.970 weight 1.000 ! spec=40_7, no=334, id=245, vol=2.597368e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HA) 3.306 1.366 1.366 weight 1.000 ! spec=40_7, no=336, id=247, vol=9.295960e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name   HA) 2.462 0.757 0.757 weight 1.000 ! spec=40_7, no=337, id=248, vol=5.454593e+06
assign (segid "   A" and resid   37 and name HD11) (segid "   A" and resid   11 and name  HB1) 2.988 1.116 1.116 weight 1.000 ! spec=40_7, no=345, id=254, vol=1.705970e+06
    or (segid "   A" and resid   37 and name HD12) (segid "   A" and resid   11 and name  HB1)
    or (segid "   A" and resid   37 and name HD13) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   37 and name HD11) 2.527 0.798 0.798 weight 1.000 ! spec=40_7, no=349, id=257, vol=4.664755e+06
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   37 and name HD13)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   37 and name HG22) 2.898 1.050 1.050 weight 1.000 ! spec=40_7, no=355, id=259, vol=2.048864e+06
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB1) 2.774 0.962 0.962 weight 1.000 ! spec=40_7, no=356, id=260, vol=2.662227e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name HG22) 2.710 0.918 0.918 weight 1.000 ! spec=40_7, no=358, id=261, vol=3.065132e+06
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name HG21)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name HG23)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name HG12) 2.301 0.662 0.662 weight 1.000 ! spec=40_7, no=359, id=262, vol=8.170944e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB2) 2.851 1.016 1.016 weight 1.000 ! spec=40_7, no=360, id=263, vol=2.258638e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name   HB) 2.270 0.644 0.644 weight 1.000 ! spec=40_7, no=361, id=264, vol=8.856137e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB2) 2.436 0.741 0.741 weight 1.000 ! spec=40_7, no=363, id=265, vol=5.813310e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name   HB) 2.551 0.813 0.813 weight 1.000 ! spec=40_7, no=365, id=266, vol=4.407442e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.536 0.804 0.804 weight 1.000 ! spec=40_7, no=367, id=267, vol=4.560551e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   37 and name HD11) 2.532 0.801 0.801 weight 1.000 ! spec=40_7, no=374, id=269, vol=4.605748e+06
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   37 and name HD13)
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   37 and name HD11)
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   37 and name HD13)
assign (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   34 and name   HN) 2.457 0.755 0.755 weight 1.000 ! spec=40_7, no=389, id=279, vol=5.510374e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name HG22) 2.672 0.893 0.893 weight 1.000 ! spec=40_7, no=392, id=281, vol=3.331938e+06
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   28 and name HG21) (segid "   A" and resid   29 and name   HN) 2.493 0.777 0.777 weight 1.000 ! spec=40_7, no=393, id=282, vol=5.056632e+06
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   29 and name   HN)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   29 and name   HN)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HB2) 2.907 1.056 1.056 weight 1.000 ! spec=40_7, no=398, id=286, vol=2.012370e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HD2) 2.718 0.923 0.923 weight 1.000 ! spec=40_7, no=399, id=287, vol=3.009457e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HA) 2.892 1.046 1.046 weight 1.000 ! spec=40_7, no=400, id=288, vol=2.073480e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name   HA) 2.104 0.553 0.553 weight 1.000 ! spec=40_7, no=401, id=289, vol=1.399822e+07
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name   HA) 2.096 0.549 0.549 weight 1.000 ! spec=40_7, no=402, id=290, vol=1.430380e+07
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   37 and name   HA) 2.626 0.862 0.862 weight 1.000 ! spec=40_7, no=403, id=291, vol=3.697048e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name   HN) 2.327 0.677 0.677 weight 1.000 ! spec=40_7, no=404, id=292, vol=7.645432e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   38 and name   HN) 2.529 0.800 0.800 weight 1.000 ! spec=40_7, no=406, id=294, vol=4.634256e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HA) 2.050 0.525 0.525 weight 1.000 ! spec=40_7, no=407, id=295, vol=1.634685e+07
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name   HA) 1.902 0.452 0.452 weight 1.000 ! spec=40_7, no=408, id=296, vol=2.566518e+07
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HA) 1.900 0.451 0.451 weight 1.000 ! spec=40_7, no=410, id=297, vol=2.576040e+07
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name   HA) 1.980 0.490 0.490 weight 1.000 ! spec=40_7, no=411, id=298, vol=2.011285e+07
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   18 and name   HN) 2.579 0.832 0.832 weight 1.000 ! spec=40_7, no=417, id=303, vol=4.120433e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   13 and name   HN) 2.521 0.794 0.794 weight 1.000 ! spec=40_7, no=418, id=304, vol=4.729737e+06
assign (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   11 and name  HB2) 2.670 0.891 0.891 weight 1.000 ! spec=40_7, no=436, id=319, vol=3.351907e+06
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   11 and name  HB2)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid   28 and name HD12) (segid "   A" and resid   28 and name HG12) 1.722 0.371 0.371 weight 1.000 ! spec=40_7, no=443, id=324, vol=4.653979e+07
    or (segid "   A" and resid   28 and name HD11) (segid "   A" and resid   28 and name HG12)
    or (segid "   A" and resid   28 and name HD13) (segid "   A" and resid   28 and name HG12)
assign (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   20 and name   HB) 1.999 0.500 0.500 weight 1.000 ! spec=40_7, no=446, id=327, vol=1.901468e+07
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   20 and name   HB)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   20 and name   HB)
assign (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   20 and name   HB) 2.237 0.625 0.625 weight 1.000 ! spec=40_7, no=449, id=329, vol=9.693606e+06
assign (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   13 and name  HB2) 2.329 0.678 0.678 weight 1.000 ! spec=40_7, no=454, id=333, vol=7.600146e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   13 and name  HB2)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   13 and name  HB2)
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   20 and name HG22) 2.691 0.905 0.905 weight 1.000 ! spec=40_7, no=455, id=334, vol=3.195124e+06
    or (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   20 and name HG21)
    or (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   20 and name HG23)
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   20 and name HG12) 2.681 0.899 0.899 weight 1.000 ! spec=40_7, no=457, id=336, vol=3.265311e+06
assign (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   11 and name  HB2) 2.766 0.956 0.956 weight 1.000 ! spec=40_7, no=461, id=340, vol=2.711155e+06
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   40 and name HD11) 2.861 1.023 1.023 weight 1.000 ! spec=40_7, no=466, id=345, vol=2.211819e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   40 and name HD12)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   40 and name HD13)
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   20 and name HD11) 2.853 1.017 1.017 weight 1.000 ! spec=40_7, no=477, id=354, vol=2.252076e+06
    or (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   20 and name HD13)
assign (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   30 and name  HD1) 3.154 1.243 1.243 weight 1.000 ! spec=40_7, no=485, id=360, vol=1.232652e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   30 and name  HD1)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   28 and name HG12) (segid "   A" and resid   28 and name HG11) 1.800 0.405 0.405 weight 1.000 ! spec=40_7, no=501, id=373, vol=3.564563e+07
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   27 and name  HD1) 2.945 1.084 1.084 weight 1.000 ! spec=40_7, no=519, id=380, vol=1.861357e+06
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   27 and name  HD2)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   22 and name  HG1) 3.061 1.171 1.171 weight 1.000 ! spec=40_7, no=522, id=382, vol=1.475823e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   37 and name HG12) 2.876 1.034 1.034 weight 1.000 ! spec=40_7, no=527, id=384, vol=2.145349e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   37 and name HG12)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   39 and name  HB2) 2.874 1.033 1.033 weight 1.000 ! spec=40_7, no=530, id=387, vol=2.151096e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   39 and name  HB2)
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   19 and name  HB2) 3.089 1.192 1.192 weight 1.000 ! spec=40_7, no=539, id=393, vol=1.397576e+06
    or (segid "   A" and resid   12 and name  HE2) (segid "   A" and resid   19 and name  HB2)
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name  HE1) 3.185 1.268 1.268 weight 1.000 ! spec=40_7, no=543, id=395, vol=1.162340e+06
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name  HE2)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name  HE2) 3.660 1.674 1.674 weight 1.000 ! spec=40_7, no=544, id=396, vol=5.047850e+05
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name  HE1)
assign (segid "   A" and resid   37 and name HD11) (segid "   A" and resid   29 and name   HN) 2.960 1.095 1.095 weight 1.000 ! spec=40_7, no=545, id=397, vol=1.803827e+06
    or (segid "   A" and resid   37 and name HD12) (segid "   A" and resid   29 and name   HN)
    or (segid "   A" and resid   37 and name HD13) (segid "   A" and resid   29 and name   HN)
assign (segid "   A" and resid   37 and name HD11) (segid "   A" and resid   23 and name   HN) 3.350 1.403 1.403 weight 1.000 ! spec=40_7, no=549, id=398, vol=8.587180e+05
    or (segid "   A" and resid   37 and name HD12) (segid "   A" and resid   23 and name   HN)
    or (segid "   A" and resid   37 and name HD13) (segid "   A" and resid   23 and name   HN)
assign (segid "   A" and resid   37 and name HD11) (segid "   A" and resid   38 and name   HN) 3.536 1.563 1.563 weight 1.000 ! spec=40_7, no=552, id=401, vol=6.206980e+05
    or (segid "   A" and resid   37 and name HD12) (segid "   A" and resid   38 and name   HN)
    or (segid "   A" and resid   37 and name HD13) (segid "   A" and resid   38 and name   HN)
assign (segid "   A" and resid   40 and name HD21) (segid "   A" and resid   12 and name   HN) 3.229 1.303 1.303 weight 1.000 ! spec=40_7, no=557, id=404, vol=1.070861e+06
    or (segid "   A" and resid   40 and name HD23) (segid "   A" and resid   12 and name   HN)
    or (segid "   A" and resid   40 and name HD22) (segid "   A" and resid   12 and name   HN)
assign (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   12 and name   HN) 3.233 1.307 1.307 weight 1.000 ! spec=40_7, no=559, id=405, vol=1.061746e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   12 and name   HN)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   12 and name   HN)
assign (segid "   A" and resid   40 and name HD11) (segid "   A" and resid   12 and name   HN) 3.279 1.344 1.344 weight 1.000 ! spec=40_7, no=561, id=407, vol=9.753750e+05
    or (segid "   A" and resid   40 and name HD12) (segid "   A" and resid   12 and name   HN)
    or (segid "   A" and resid   40 and name HD13) (segid "   A" and resid   12 and name   HN)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   20 and name HD11) 3.399 1.444 1.444 weight 1.000 ! spec=40_7, no=562, id=408, vol=7.870020e+05
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   20 and name HD13)
assign (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   31 and name   HN) 3.694 1.706 1.706 weight 1.000 ! spec=40_7, no=563, id=409, vol=4.772960e+05
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   31 and name   HN)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   31 and name   HN)
assign (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   31 and name   HN) 3.382 1.430 1.430 weight 1.000 ! spec=40_7, no=566, id=412, vol=8.110040e+05
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   31 and name   HN)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   31 and name   HN)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   40 and name   HG) 3.061 1.171 1.171 weight 1.000 ! spec=40_7, no=569, id=413, vol=1.476358e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   37 and name   HB) 3.491 1.523 1.523 weight 1.000 ! spec=40_7, no=570, id=414, vol=6.706000e+05
assign (segid "   A" and resid   20 and name   HB) (segid "   A" and resid   20 and name   HN) 2.965 1.099 1.099 weight 1.000 ! spec=40_7, no=572, id=416, vol=1.786017e+06
assign (segid "   A" and resid   10 and name  HG1) (segid "   A" and resid    9 and name   HN) 2.622 0.859 0.859 weight 1.000 ! spec=40_7, no=580, id=419, vol=3.737012e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   22 and name  HD1) 2.367 0.700 0.700 weight 1.000 ! spec=40_7, no=586, id=422, vol=6.904762e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   11 and name  HE2) 3.212 1.290 1.290 weight 1.000 ! spec=40_7, no=591, id=426, vol=1.104945e+06
    or (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   11 and name  HE1)
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   31 and name  HB2) 3.120 1.217 1.217 weight 1.000 ! spec=40_7, no=603, id=434, vol=1.315484e+06
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   33 and name  HG2) 2.540 0.806 0.806 weight 1.000 ! spec=40_7, no=606, id=436, vol=4.517649e+06
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   20 and name   HB) 3.507 1.538 1.538 weight 1.000 ! spec=40_7, no=617, id=445, vol=6.517670e+05
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name  HD2) 3.338 1.393 1.393 weight 1.000 ! spec=40_7, no=627, id=454, vol=8.767700e+05
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name  HD1) 3.245 1.316 1.316 weight 1.000 ! spec=40_7, no=629, id=456, vol=1.039464e+06
assign (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   25 and name  HG1) 2.593 0.841 0.841 weight 1.000 ! spec=40_7, no=632, id=458, vol=3.987724e+06
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   11 and name   HN) 2.766 0.956 0.956 weight 1.000 ! spec=40_7, no=640, id=461, vol=2.710860e+06
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   32 and name   HN) 2.875 1.033 1.033 weight 1.000 ! spec=40_7, no=644, id=463, vol=2.146681e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.800 0.980 0.980 weight 1.000 ! spec=40_7, no=647, id=464, vol=2.515456e+06
assign (segid "   A" and resid   33 and name  HG1) (segid "   A" and resid   33 and name   HN) 2.794 0.976 0.976 weight 1.000 ! spec=40_7, no=653, id=468, vol=2.551042e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HG2) 2.647 0.876 0.876 weight 1.000 ! spec=40_7, no=654, id=469, vol=3.526813e+06
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name   HN) 2.921 1.066 1.066 weight 1.000 ! spec=40_7, no=657, id=472, vol=1.955241e+06
assign (segid "   A" and resid   39 and name  HG2) (segid "   A" and resid   40 and name   HN) 2.872 1.031 1.031 weight 1.000 ! spec=40_7, no=660, id=474, vol=2.161250e+06
assign (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   19 and name   HN) 3.422 1.463 1.463 weight 1.000 ! spec=40_7, no=661, id=475, vol=7.560080e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   30 and name  HG2) 3.039 1.154 1.154 weight 1.000 ! spec=40_7, no=664, id=476, vol=1.540889e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB1) 2.909 1.058 1.058 weight 1.000 ! spec=40_7, no=668, id=478, vol=2.000713e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name  HB2) 2.595 0.842 0.842 weight 1.000 ! spec=40_7, no=675, id=480, vol=3.976771e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   38 and name  HB2) 3.290 1.353 1.353 weight 1.000 ! spec=40_7, no=681, id=482, vol=9.574390e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HG2) 3.246 1.317 1.317 weight 1.000 ! spec=40_7, no=682, id=483, vol=1.037025e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB2) 2.716 0.922 0.922 weight 1.000 ! spec=40_7, no=687, id=488, vol=3.023954e+06
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   38 and name   HN) 3.043 1.158 1.158 weight 1.000 ! spec=40_7, no=689, id=489, vol=1.527763e+06
assign (segid "   A" and resid    1 and name   HN) (segid "   A" and resid    0 and name  HB1) 2.599 0.845 0.845 weight 1.000 ! spec=40_7, no=696, id=490, vol=3.933361e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name   HA) 2.025 0.513 0.513 weight 1.000 ! spec=40_7, no=698, id=491, vol=1.757640e+07
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   33 and name   HN) 2.716 0.922 0.922 weight 1.000 ! spec=40_7, no=700, id=493, vol=3.024470e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HA1) 2.328 0.677 0.677 weight 1.000 ! spec=40_7, no=702, id=495, vol=7.622221e+06
assign (segid "   A" and resid    9 and name  HA2) (segid "   A" and resid   10 and name   HN) 2.633 0.867 0.867 weight 1.000 ! spec=40_7, no=705, id=497, vol=3.639117e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name   HA) 1.899 0.451 0.451 weight 1.000 ! spec=40_7, no=707, id=498, vol=2.586237e+07
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   34 and name   HN) 2.647 0.876 0.876 weight 1.000 ! spec=40_7, no=715, id=501, vol=3.524537e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name  HB2) 3.242 1.314 1.314 weight 1.000 ! spec=40_7, no=718, id=502, vol=1.045178e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HA1) 3.124 1.220 1.220 weight 1.000 ! spec=40_7, no=723, id=504, vol=1.306081e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   39 and name   HA) 3.132 1.226 1.226 weight 1.000 ! spec=40_7, no=724, id=505, vol=1.286138e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HD1) 3.127 1.222 1.222 weight 1.000 ! spec=40_7, no=725, id=506, vol=1.298661e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   11 and name  HB1) 3.417 1.459 1.459 weight 1.000 ! spec=40_7, no=728, id=509, vol=7.623570e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB2) 2.838 1.007 1.007 weight 1.000 ! spec=40_7, no=730, id=511, vol=2.321241e+06
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   16 and name   HN) 3.172 1.257 1.257 weight 1.000 ! spec=40_7, no=731, id=512, vol=1.192105e+06
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   16 and name   HN) 3.143 1.235 1.235 weight 1.000 ! spec=40_7, no=734, id=515, vol=1.258199e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB1) 3.416 1.459 1.459 weight 1.000 ! spec=40_7, no=735, id=516, vol=7.629360e+05
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   15 and name   HN) 3.419 1.461 1.461 weight 1.000 ! spec=40_7, no=737, id=518, vol=7.591520e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name  HG1) 3.315 1.373 1.373 weight 1.000 ! spec=40_7, no=738, id=519, vol=9.149370e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HG2) 3.103 1.203 1.203 weight 1.000 ! spec=40_7, no=742, id=520, vol=1.360176e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   29 and name  HB1) 3.332 1.388 1.388 weight 1.000 ! spec=40_7, no=743, id=521, vol=8.859160e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   11 and name  HB2) 3.470 1.505 1.505 weight 1.000 ! spec=40_7, no=753, id=525, vol=6.954550e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   29 and name  HB1) 2.963 1.097 1.097 weight 1.000 ! spec=40_7, no=755, id=526, vol=1.793305e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB1) 3.430 1.471 1.471 weight 1.000 ! spec=40_7, no=756, id=527, vol=7.449850e+05
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   37 and name   HN) 3.458 1.494 1.494 weight 1.000 ! spec=40_7, no=760, id=529, vol=7.099940e+05
assign (segid "   A" and resid   10 and name   HE) (segid "   A" and resid   10 and name  HD2) 2.825 0.998 0.998 weight 1.000 ! spec=40_7, no=761, id=530, vol=2.385138e+06
assign (segid "   A" and resid   10 and name   HE) (segid "   A" and resid   10 and name  HD1) 2.843 1.010 1.010 weight 1.000 ! spec=40_7, no=762, id=531, vol=2.296725e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   39 and name   HA) 2.694 0.907 0.907 weight 1.000 ! spec=40_7, no=765, id=534, vol=3.173361e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   39 and name   HA)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   39 and name   HA) 2.995 1.121 1.121 weight 1.000 ! spec=40_7, no=766, id=535, vol=1.681244e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   39 and name   HA)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB2) 3.642 1.658 1.658 weight 1.000 ! spec=40_7, no=767, id=536, vol=5.200260e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   37 and name HD11) 3.089 1.193 1.193 weight 1.000 ! spec=40_7, no=772, id=538, vol=1.396597e+06
    or (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   37 and name HD13)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HG1) 2.235 0.624 0.624 weight 1.000 ! spec=40_7, no=787, id=544, vol=9.737660e+06
assign (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   11 and name  HB1) 2.516 0.791 0.791 weight 1.000 ! spec=40_7, no=797, id=551, vol=4.783859e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   11 and name  HB1)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   20 and name HD11) 2.708 0.916 0.916 weight 1.000 ! spec=40_7, no=800, id=553, vol=3.079057e+06
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   20 and name HD13)
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   40 and name   HG) 3.030 1.148 1.148 weight 1.000 ! spec=40_7, no=805, id=558, vol=1.568156e+06
assign (segid "   A" and resid   40 and name  HB2) (segid "   A" and resid   39 and name   HA) 3.233 1.307 1.307 weight 1.000 ! spec=40_7, no=806, id=559, vol=1.061781e+06
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   32 and name  HB2) 1.782 0.397 0.397 weight 1.000 ! spec=40_7, no=816, id=566, vol=3.786770e+07
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   34 and name  HB1) 3.360 1.412 1.412 weight 1.000 ! spec=40_7, no=823, id=571, vol=8.425080e+05
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name   HA) 2.764 0.955 0.955 weight 1.000 ! spec=40_7, no=825, id=572, vol=2.721152e+06
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   33 and name   HA) 3.533 1.560 1.560 weight 1.000 ! spec=40_7, no=828, id=573, vol=6.244090e+05
assign (segid "   A" and resid   28 and name HG11) (segid "   A" and resid   26 and name  HB1) 2.996 1.122 1.122 weight 1.000 ! spec=40_7, no=831, id=575, vol=1.678054e+06
assign (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   20 and name HG12) 3.454 1.491 1.491 weight 1.000 ! spec=40_7, no=836, id=580, vol=7.147090e+05
assign (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   20 and name   HA) 2.967 1.100 1.100 weight 1.000 ! spec=40_7, no=839, id=582, vol=1.779473e+06
assign (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   19 and name   HA) 3.028 1.146 1.146 weight 1.000 ! spec=40_7, no=841, id=584, vol=1.572864e+06
assign (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   12 and name   HA) 3.144 1.235 1.235 weight 1.000 ! spec=40_7, no=845, id=586, vol=1.256948e+06
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   12 and name   HA)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   12 and name   HA)
assign (segid "   A" and resid   37 and name HD11) (segid "   A" and resid   13 and name   HA) 3.460 1.497 1.497 weight 1.000 ! spec=40_7, no=846, id=587, vol=7.066430e+05
    or (segid "   A" and resid   37 and name HD12) (segid "   A" and resid   13 and name   HA)
    or (segid "   A" and resid   37 and name HD13) (segid "   A" and resid   13 and name   HA)
assign (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   11 and name   HA) 3.377 1.425 1.425 weight 1.000 ! spec=40_7, no=849, id=589, vol=8.186630e+05
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   11 and name   HA)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name  HB1) 1.938 0.469 0.469 weight 1.000 ! spec=40_7, no=850, id=590, vol=2.292412e+07
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name  HB2) 1.888 0.446 0.446 weight 1.000 ! spec=40_7, no=853, id=593, vol=2.679052e+07
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name  HB1) 1.865 0.435 0.435 weight 1.000 ! spec=40_7, no=855, id=594, vol=2.887667e+07
assign (segid "   A" and resid   37 and name HG12) (segid "   A" and resid   37 and name HG11) 1.922 0.462 0.462 weight 1.000 ! spec=40_7, no=867, id=597, vol=2.406657e+07
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   11 and name  HB1) 2.960 1.095 1.095 weight 1.000 ! spec=40_7, no=868, id=598, vol=1.805468e+06
assign (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    6 and name   HA) 2.903 1.053 1.053 weight 1.000 ! spec=40_7, no=872, id=602, vol=2.027239e+06
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name   HA) 2.570 0.826 0.826 weight 1.000 ! spec=40_7, no=874, id=603, vol=4.210415e+06
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name   HA) 3.136 1.229 1.229 weight 1.000 ! spec=40_7, no=876, id=604, vol=1.275695e+06
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   38 and name   HA) 3.385 1.432 1.432 weight 1.000 ! spec=40_7, no=880, id=607, vol=8.063380e+05
assign (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   20 and name   HA) 3.417 1.459 1.459 weight 1.000 ! spec=40_7, no=881, id=608, vol=7.628390e+05
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name   HA) 3.371 1.421 1.421 weight 1.000 ! spec=40_7, no=884, id=611, vol=8.267410e+05
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    1 and name   HA) 3.284 1.348 1.348 weight 1.000 ! spec=40_7, no=890, id=612, vol=9.669010e+05
    or (segid "   A" and resid    2 and name  HB3) (segid "   A" and resid    1 and name   HA)
    or (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    1 and name   HA)
assign (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   30 and name  HD2) 3.814 1.818 1.818 weight 1.000 ! spec=40_7, no=895, id=615, vol=3.942990e+05
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   30 and name  HD2)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   30 and name  HD2)
assign (segid "   A" and resid   30 and name  HG2) (segid "   A" and resid   20 and name   HB) 4.649 2.701 2.701 weight 1.000 ! spec=40_7, no=905, id=620, vol=1.202240e+05
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   11 and name   HA) 3.066 1.175 1.175 weight 1.000 ! spec=40_7, no=912, id=623, vol=1.461591e+06
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   37 and name   HN) 3.559 1.584 1.584 weight 1.000 ! spec=40_7, no=914, id=625, vol=5.967510e+05
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   32 and name   HN) 2.714 0.921 0.921 weight 1.000 ! spec=40_7, no=917, id=626, vol=3.034009e+06
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name   HN) 3.285 1.349 1.349 weight 1.000 ! spec=40_7, no=918, id=627, vol=9.655110e+05
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   29 and name   HA) 2.456 0.754 0.754 weight 1.000 ! spec=40_7, no=919, id=628, vol=5.533960e+06
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   29 and name   HA) 2.770 0.959 0.959 weight 1.000 ! spec=40_7, no=921, id=629, vol=2.685228e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   12 and name  HE1) 3.055 1.167 1.167 weight 1.000 ! spec=40_7, no=922, id=630, vol=1.491385e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   12 and name  HE2)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    3 and name   HN) 2.268 0.643 0.643 weight 1.000 ! spec=40_7, no=929, id=632, vol=8.906000e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name   HN) 2.216 0.614 0.614 weight 1.000 ! spec=40_7, no=930, id=633, vol=1.025471e+07
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   20 and name   HN) 3.043 1.157 1.157 weight 1.000 ! spec=40_7, no=931, id=634, vol=1.529496e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   34 and name   HN) 2.515 0.791 0.791 weight 1.000 ! spec=40_7, no=932, id=635, vol=4.797186e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name   HN) 3.117 1.215 1.215 weight 1.000 ! spec=40_7, no=933, id=636, vol=1.322123e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name   HN) 2.350 0.691 0.691 weight 1.000 ! spec=40_7, no=936, id=637, vol=7.196246e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name   HN) 2.631 0.865 0.865 weight 1.000 ! spec=40_7, no=939, id=639, vol=3.660037e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   31 and name   HN) 2.879 1.036 1.036 weight 1.000 ! spec=40_7, no=940, id=640, vol=2.128979e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   12 and name   HN) 2.959 1.094 1.094 weight 1.000 ! spec=40_7, no=941, id=641, vol=1.807961e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   12 and name   HN)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   38 and name   HN) 2.726 0.929 0.929 weight 1.000 ! spec=40_7, no=943, id=642, vol=2.957985e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   38 and name   HN)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   38 and name   HN) 3.536 1.563 1.563 weight 1.000 ! spec=40_7, no=944, id=643, vol=6.203440e+05
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   38 and name   HN)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   39 and name   HN) 3.010 1.133 1.133 weight 1.000 ! spec=40_7, no=946, id=644, vol=1.630787e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   39 and name   HN)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   39 and name   HN) 3.116 1.214 1.214 weight 1.000 ! spec=40_7, no=947, id=645, vol=1.325884e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   39 and name   HN)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name   HN) 3.175 1.260 1.260 weight 1.000 ! spec=40_7, no=950, id=647, vol=1.185156e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   11 and name   HN) 2.444 0.746 0.746 weight 1.000 ! spec=40_7, no=951, id=648, vol=5.699088e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   11 and name   HN)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   12 and name   HN) 3.138 1.231 1.231 weight 1.000 ! spec=40_7, no=957, id=649, vol=1.271424e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   12 and name   HN)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   38 and name   HN) 3.488 1.521 1.521 weight 1.000 ! spec=40_7, no=958, id=650, vol=6.735060e+05
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   38 and name   HN)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   19 and name   HN) 3.109 1.209 1.209 weight 1.000 ! spec=40_7, no=959, id=651, vol=1.342438e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   19 and name   HN)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   20 and name   HN) 3.332 1.388 1.388 weight 1.000 ! spec=40_7, no=960, id=652, vol=8.866850e+05
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   20 and name   HN)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   40 and name   HN) 3.185 1.268 1.268 weight 1.000 ! spec=40_7, no=961, id=653, vol=1.162467e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   40 and name   HN)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   40 and name   HN) 3.457 1.494 1.494 weight 1.000 ! spec=40_7, no=962, id=654, vol=7.106950e+05
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   40 and name   HN)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   12 and name  HE1) 3.145 1.237 1.237 weight 1.000 ! spec=40_7, no=963, id=655, vol=1.253068e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   12 and name  HE2)
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   36 and name   HN) 3.260 1.329 1.329 weight 1.000 ! spec=40_7, no=965, id=656, vol=1.010620e+06
    or (segid "   A" and resid   36 and name  HD2) (segid "   A" and resid   36 and name   HN)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   13 and name   HN) 2.851 1.016 1.016 weight 1.000 ! spec=40_7, no=967, id=657, vol=2.257315e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   13 and name   HN)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   15 and name   HN) 3.483 1.517 1.517 weight 1.000 ! spec=40_7, no=968, id=658, vol=6.794160e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   40 and name   HN) 3.385 1.432 1.432 weight 1.000 ! spec=40_7, no=973, id=660, vol=8.067070e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name   HN) 3.284 1.348 1.348 weight 1.000 ! spec=40_7, no=975, id=662, vol=9.668260e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   17 and name   HN) 3.269 1.336 1.336 weight 1.000 ! spec=40_7, no=976, id=663, vol=9.947700e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   37 and name   HN) 3.155 1.244 1.244 weight 1.000 ! spec=40_7, no=977, id=664, vol=1.231079e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   10 and name   HN) 2.732 0.933 0.933 weight 1.000 ! spec=40_7, no=981, id=666, vol=2.915744e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HN) 3.462 1.498 1.498 weight 1.000 ! spec=40_7, no=995, id=678, vol=7.047060e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   18 and name   HN) 2.482 0.770 0.770 weight 1.000 ! spec=40_7, no=996, id=679, vol=5.185918e+06
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   38 and name   HA) 3.255 1.325 1.325 weight 1.000 ! spec=40_7, no=1005, id=684, vol=1.019512e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   38 and name   HA)
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   12 and name   HA) 3.626 1.644 1.644 weight 1.000 ! spec=40_7, no=1007, id=685, vol=5.336620e+05
    or (segid "   A" and resid   12 and name  HE2) (segid "   A" and resid   12 and name   HA)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   19 and name   HA) 2.752 0.947 0.947 weight 1.000 ! spec=40_7, no=1010, id=686, vol=2.794127e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HA) 2.035 0.518 0.518 weight 1.000 ! spec=40_7, no=1011, id=687, vol=1.706049e+07
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name   HA) 2.938 1.079 1.079 weight 1.000 ! spec=40_7, no=1012, id=688, vol=1.886848e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name   HA) 2.144 0.575 0.575 weight 1.000 ! spec=40_7, no=1014, id=689, vol=1.249634e+07
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   11 and name   HA) 2.550 0.813 0.813 weight 1.000 ! spec=40_7, no=1015, id=690, vol=4.414332e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HA) 2.085 0.544 0.544 weight 1.000 ! spec=40_7, no=1018, id=692, vol=1.475186e+07
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   12 and name   HA) 2.513 0.789 0.789 weight 1.000 ! spec=40_7, no=1024, id=693, vol=4.822190e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name   HA) 2.438 0.743 0.743 weight 1.000 ! spec=40_7, no=1026, id=694, vol=5.778372e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name   HA) 2.522 0.795 0.795 weight 1.000 ! spec=40_7, no=1028, id=695, vol=4.711510e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name   HA) 3.135 1.229 1.229 weight 1.000 ! spec=40_7, no=1032, id=696, vol=1.277354e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   30 and name   HA) 3.206 1.285 1.285 weight 1.000 ! spec=40_7, no=1033, id=697, vol=1.118049e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   31 and name   HA) 3.374 1.423 1.423 weight 1.000 ! spec=40_7, no=1034, id=698, vol=8.227250e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   36 and name  HB2) 3.378 1.426 1.426 weight 1.000 ! spec=40_7, no=1036, id=699, vol=8.169360e+05
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   14 and name   HA) 2.879 1.036 1.036 weight 1.000 ! spec=40_7, no=1038, id=700, vol=2.130556e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   14 and name   HA)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   18 and name   HA) 3.055 1.166 1.166 weight 1.000 ! spec=40_7, no=1039, id=701, vol=1.493651e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   18 and name   HA)
assign (segid "   A" and resid   10 and name   HE) (segid "   A" and resid   10 and name  HB2) 3.063 1.173 1.173 weight 1.000 ! spec=40_7, no=1047, id=709, vol=1.468812e+06
assign (segid "   A" and resid   10 and name   HE) (segid "   A" and resid   10 and name  HG1) 2.870 1.029 1.029 weight 1.000 ! spec=40_7, no=1048, id=710, vol=2.172545e+06
assign (segid "   A" and resid   31 and name   HE) (segid "   A" and resid   31 and name  HG2) 3.036 1.152 1.152 weight 1.000 ! spec=40_7, no=1049, id=711, vol=1.548960e+06
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   40 and name   HG) 3.215 1.292 1.292 weight 1.000 ! spec=40_7, no=1051, id=712, vol=1.098351e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   40 and name   HG)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   37 and name HG11) 3.330 1.386 1.386 weight 1.000 ! spec=40_7, no=1054, id=714, vol=8.906180e+05
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   37 and name HG11)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   37 and name HG11) 2.957 1.093 1.093 weight 1.000 ! spec=40_7, no=1055, id=715, vol=1.813501e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   37 and name HG11)
assign (segid "   A" and resid   12 and name   HZ) (segid "   A" and resid   18 and name HG12) 3.336 1.391 1.391 weight 1.000 ! spec=40_7, no=1058, id=717, vol=8.808960e+05
    or (segid "   A" and resid   12 and name   HZ) (segid "   A" and resid   18 and name HG11)
    or (segid "   A" and resid   12 and name   HZ) (segid "   A" and resid   18 and name HG13)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   22 and name  HB2) 3.314 1.373 1.373 weight 1.000 ! spec=40_7, no=1063, id=719, vol=9.157440e+05
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   22 and name  HB2) 3.485 1.518 1.518 weight 1.000 ! spec=40_7, no=1066, id=720, vol=6.772250e+05
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   13 and name   HN) 2.746 0.943 0.943 weight 1.000 ! spec=40_7, no=1070, id=721, vol=2.827234e+06
assign (segid "   A" and resid   37 and name HG12) (segid "   A" and resid   37 and name   HN) 2.743 0.941 0.941 weight 1.000 ! spec=40_7, no=1072, id=722, vol=2.847609e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   28 and name   HB) 3.681 1.694 1.694 weight 1.000 ! spec=40_7, no=1073, id=723, vol=4.878880e+05
assign (segid "   A" and resid   20 and name   HB) (segid "   A" and resid   21 and name   HN) 2.090 0.546 0.546 weight 1.000 ! spec=40_7, no=1076, id=724, vol=1.456878e+07
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name  HB1) 2.913 1.060 1.060 weight 1.000 ! spec=40_7, no=1078, id=725, vol=1.987550e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name HG12) 3.147 1.238 1.238 weight 1.000 ! spec=40_7, no=1079, id=726, vol=1.250098e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name HG12) 3.447 1.485 1.485 weight 1.000 ! spec=40_7, no=1081, id=727, vol=7.237460e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HD1) 3.630 1.647 1.647 weight 1.000 ! spec=40_7, no=1082, id=728, vol=5.305180e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HA) 2.016 0.508 0.508 weight 1.000 ! spec=40_7, no=1083, id=729, vol=1.808619e+07
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   13 and name   HA) 3.054 1.166 1.166 weight 1.000 ! spec=40_7, no=1085, id=730, vol=1.496626e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   20 and name HD11) 3.557 1.582 1.582 weight 1.000 ! spec=40_7, no=1086, id=731, vol=5.986030e+05
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   20 and name HD13)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name HG12) 2.697 0.909 0.909 weight 1.000 ! spec=40_7, no=1087, id=732, vol=3.154928e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name HG11)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name HG13)
assign (segid "   A" and resid   18 and name HG22) (segid "   A" and resid   19 and name   HN) 2.506 0.785 0.785 weight 1.000 ! spec=40_7, no=1088, id=733, vol=4.900471e+06
    or (segid "   A" and resid   18 and name HG21) (segid "   A" and resid   19 and name   HN)
    or (segid "   A" and resid   18 and name HG23) (segid "   A" and resid   19 and name   HN)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   37 and name HG22) 3.126 1.222 1.222 weight 1.000 ! spec=40_7, no=1100, id=736, vol=1.299322e+06
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HB1) 2.857 1.020 1.020 weight 1.000 ! spec=40_7, no=1105, id=739, vol=2.230053e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name HG11) 3.802 1.807 1.807 weight 1.000 ! spec=40_7, no=1112, id=740, vol=4.015920e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   37 and name   HB) 3.736 1.745 1.745 weight 1.000 ! spec=40_7, no=1114, id=742, vol=4.459930e+05
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   22 and name  HG1) 2.486 0.773 0.773 weight 1.000 ! spec=40_7, no=1117, id=744, vol=5.136439e+06
assign (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   31 and name  HD1) 3.285 1.349 1.349 weight 1.000 ! spec=40_7, no=1124, id=750, vol=9.656750e+05
    or (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   31 and name  HD1)
    or (segid "   A" and resid   18 and name HG13) (segid "   A" and resid   31 and name  HD1)
assign (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   14 and name  HB2) 3.415 1.458 1.458 weight 1.000 ! spec=40_7, no=1125, id=751, vol=7.646050e+05
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   14 and name  HB2)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name HG11) 2.339 0.684 0.684 weight 1.000 ! spec=40_7, no=1132, id=756, vol=7.403341e+06
assign (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   31 and name  HG2) 2.501 0.782 0.782 weight 1.000 ! spec=40_7, no=1135, id=757, vol=4.954959e+06
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   31 and name  HG2)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   31 and name  HG2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   11 and name   HN) 2.377 0.706 0.706 weight 1.000 ! spec=40_7, no=1146, id=764, vol=6.722109e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   39 and name   HN) 3.117 1.214 1.214 weight 1.000 ! spec=40_7, no=1149, id=765, vol=1.323953e+06
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   12 and name  HD1) 2.640 0.872 0.872 weight 1.000 ! spec=40_7, no=1154, id=768, vol=3.579829e+06
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   12 and name  HD2)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   28 and name   HN) 2.439 0.743 0.743 weight 1.000 ! spec=40_7, no=1156, id=769, vol=5.770315e+06
assign (segid "   A" and resid   37 and name HD11) (segid "   A" and resid   22 and name  HG1) 2.663 0.886 0.886 weight 1.000 ! spec=40_7, no=1159, id=770, vol=3.403684e+06
    or (segid "   A" and resid   37 and name HD12) (segid "   A" and resid   22 and name  HG1)
    or (segid "   A" and resid   37 and name HD13) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   28 and name HD12) 3.272 1.338 1.338 weight 1.000 ! spec=40_7, no=1177, id=776, vol=9.890330e+05
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   28 and name HD11)
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   28 and name HD13)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   19 and name  HG2) 2.720 0.925 0.925 weight 1.000 ! spec=40_7, no=1183, id=779, vol=2.994807e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   19 and name  HG2)
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   14 and name  HB1) 3.160 1.248 1.248 weight 1.000 ! spec=40_7, no=1185, id=780, vol=1.218976e+06
    or (segid "   A" and resid   36 and name  HD2) (segid "   A" and resid   14 and name  HB1)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB1) 2.169 0.588 0.588 weight 1.000 ! spec=40_7, no=1192, id=782, vol=1.164693e+07
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HG2) 2.192 0.601 0.601 weight 1.000 ! spec=40_7, no=1193, id=783, vol=1.093275e+07
assign (segid "   A" and resid   10 and name  HG1) (segid "   A" and resid   10 and name   HN) 2.471 0.764 0.764 weight 1.000 ! spec=40_7, no=1194, id=784, vol=5.323963e+06
assign (segid "   A" and resid   10 and name   HE) (segid "   A" and resid   10 and name  HG2) 2.981 1.111 1.111 weight 1.000 ! spec=40_7, no=1199, id=787, vol=1.728786e+06
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name   HE) 3.426 1.468 1.468 weight 1.000 ! spec=40_7, no=1202, id=789, vol=7.497000e+05
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   40 and name   HG) 3.306 1.366 1.366 weight 1.000 ! spec=40_7, no=1212, id=792, vol=9.290740e+05
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   40 and name   HG) 3.486 1.519 1.519 weight 1.000 ! spec=40_7, no=1213, id=793, vol=6.755890e+05
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name   HN) 4.155 2.158 2.158 weight 1.000 ! spec=40_7, no=1214, id=794, vol=2.357940e+05
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name   HN) 4.101 2.102 2.102 weight 1.000 ! spec=40_7, no=1215, id=795, vol=2.551940e+05
assign (segid "   A" and resid   23 and name  HG2) (segid "   A" and resid   30 and name   HA) 3.257 1.326 1.326 weight 1.000 ! spec=40_7, no=1230, id=804, vol=1.016235e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   20 and name HD11) 3.182 1.265 1.265 weight 1.000 ! spec=40_7, no=1236, id=806, vol=1.169532e+06
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   20 and name HD13)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   40 and name  HB2) 3.323 1.380 1.380 weight 1.000 ! spec=40_7, no=1245, id=808, vol=9.018060e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   37 and name HG22) 2.948 1.086 1.086 weight 1.000 ! spec=40_7, no=1248, id=809, vol=1.850051e+06
    or (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   11 and name  HB1) 4.014 2.014 2.014 weight 1.000 ! spec=40_7, no=1250, id=811, vol=2.901260e+05
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   20 and name   HN) 3.873 1.875 1.875 weight 1.000 ! spec=40_7, no=1254, id=812, vol=3.596350e+05
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   20 and name   HN)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   11 and name  HD1) 3.559 1.583 1.583 weight 1.000 ! spec=40_7, no=1257, id=813, vol=5.971370e+05
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    9 and name  HA1) 3.681 1.694 1.694 weight 1.000 ! spec=40_7, no=1265, id=816, vol=4.874930e+05
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid    9 and name  HA1)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid    9 and name  HA2) 3.264 1.332 1.332 weight 1.000 ! spec=40_7, no=1267, id=818, vol=1.003486e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    9 and name  HA2)
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   38 and name  HG2) 3.252 1.322 1.322 weight 1.000 ! spec=40_7, no=1272, id=819, vol=1.026580e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   39 and name  HG2) 2.787 0.971 0.971 weight 1.000 ! spec=40_7, no=1273, id=820, vol=2.587772e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   39 and name  HG2)
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name  HE2) 3.597 1.618 1.618 weight 1.000 ! spec=40_7, no=1278, id=823, vol=5.597850e+05
    or (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name  HE1)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   12 and name   HA) 3.264 1.332 1.332 weight 1.000 ! spec=40_7, no=1299, id=832, vol=1.003177e+06
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   36 and name  HB2) 3.188 1.271 1.271 weight 1.000 ! spec=40_7, no=1302, id=833, vol=1.154986e+06
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   14 and name   HN) 3.668 1.682 1.682 weight 1.000 ! spec=40_7, no=1308, id=836, vol=4.981540e+05
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   14 and name   HN)
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   19 and name   HA) 3.738 1.747 1.747 weight 1.000 ! spec=40_7, no=1309, id=837, vol=4.445730e+05
    or (segid "   A" and resid   12 and name  HE2) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   19 and name  HG1) 3.701 1.712 1.712 weight 1.000 ! spec=40_7, no=1313, id=838, vol=4.722100e+05
    or (segid "   A" and resid   12 and name  HE2) (segid "   A" and resid   19 and name  HG1)
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   40 and name HD21) 3.448 1.486 1.486 weight 1.000 ! spec=40_7, no=1316, id=839, vol=7.224620e+05
    or (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   40 and name HD23)
    or (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   40 and name HD22)
    or (segid "   A" and resid   12 and name  HE2) (segid "   A" and resid   40 and name HD21)
    or (segid "   A" and resid   12 and name  HE2) (segid "   A" and resid   40 and name HD23)
    or (segid "   A" and resid   12 and name  HE2) (segid "   A" and resid   40 and name HD22)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   17 and name   HA) 3.353 1.405 1.405 weight 1.000 ! spec=40_7, no=1317, id=840, vol=8.541540e+05
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   40 and name HD11) (segid "   A" and resid   12 and name  HE1) 3.314 1.373 1.373 weight 1.000 ! spec=40_7, no=1318, id=841, vol=9.158350e+05
    or (segid "   A" and resid   40 and name HD11) (segid "   A" and resid   12 and name  HE2)
    or (segid "   A" and resid   40 and name HD12) (segid "   A" and resid   12 and name  HE1)
    or (segid "   A" and resid   40 and name HD12) (segid "   A" and resid   12 and name  HE2)
    or (segid "   A" and resid   40 and name HD13) (segid "   A" and resid   12 and name  HE1)
    or (segid "   A" and resid   40 and name HD13) (segid "   A" and resid   12 and name  HE2)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HN) 3.797 1.802 1.802 weight 1.000 ! spec=40_7, no=1320, id=842, vol=4.048050e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   18 and name   HA) 3.561 1.585 1.585 weight 1.000 ! spec=40_7, no=1322, id=843, vol=5.953460e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   20 and name HD11) 2.994 1.120 1.120 weight 1.000 ! spec=40_7, no=1325, id=845, vol=1.684523e+06
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   20 and name HD13)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   37 and name HG22) 3.052 1.164 1.164 weight 1.000 ! spec=40_7, no=1326, id=846, vol=1.502705e+06
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   14 and name   HA) 2.950 1.088 1.088 weight 1.000 ! spec=40_7, no=1343, id=851, vol=1.841418e+06
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name   HA) 2.401 0.721 0.721 weight 1.000 ! spec=40_7, no=1353, id=854, vol=6.328999e+06
assign (segid "   A" and resid   28 and name HG21) (segid "   A" and resid   34 and name   HA) 3.005 1.129 1.129 weight 1.000 ! spec=40_7, no=1356, id=855, vol=1.646959e+06
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   34 and name   HA)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   34 and name   HA)
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   34 and name  HB2) 3.305 1.366 1.366 weight 1.000 ! spec=40_7, no=1357, id=856, vol=9.303810e+05
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   34 and name  HB1) 2.791 0.974 0.974 weight 1.000 ! spec=40_7, no=1358, id=857, vol=2.567035e+06
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   34 and name  HB1) 3.080 1.186 1.186 weight 1.000 ! spec=40_7, no=1359, id=858, vol=1.420257e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HD2) 2.749 0.945 0.945 weight 1.000 ! spec=40_7, no=1360, id=859, vol=2.811414e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   36 and name  HD1) 3.764 1.771 1.771 weight 1.000 ! spec=40_7, no=1362, id=861, vol=4.267330e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   36 and name  HD2)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name  HD1) 3.360 1.411 1.411 weight 1.000 ! spec=40_7, no=1363, id=862, vol=8.436530e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name  HD2)
assign (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   22 and name  HD1) 3.190 1.272 1.272 weight 1.000 ! spec=40_7, no=1368, id=864, vol=1.152193e+06
    or (segid "   A" and resid   21 and name HG13) (segid "   A" and resid   22 and name  HD1)
    or (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name   HA) 3.864 1.866 1.866 weight 1.000 ! spec=40_7, no=1372, id=866, vol=3.644640e+05
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   16 and name   HA) 3.319 1.377 1.377 weight 1.000 ! spec=40_7, no=1374, id=867, vol=9.069310e+05
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   17 and name   HN) 3.038 1.154 1.154 weight 1.000 ! spec=40_7, no=1377, id=869, vol=1.542846e+06
assign (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   16 and name  HB2) 2.680 0.898 0.898 weight 1.000 ! spec=40_7, no=1381, id=872, vol=3.272554e+06
    or (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   16 and name  HB2)
    or (segid "   A" and resid   18 and name HG13) (segid "   A" and resid   16 and name  HB2)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB1) 3.642 1.658 1.658 weight 1.000 ! spec=40_7, no=1386, id=875, vol=5.201290e+05
assign (segid "   A" and resid   18 and name HG22) (segid "   A" and resid   17 and name   HN) 3.065 1.174 1.174 weight 1.000 ! spec=40_7, no=1389, id=878, vol=1.464610e+06
    or (segid "   A" and resid   18 and name HG21) (segid "   A" and resid   17 and name   HN)
    or (segid "   A" and resid   18 and name HG23) (segid "   A" and resid   17 and name   HN)
assign (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   17 and name   HN) 3.152 1.242 1.242 weight 1.000 ! spec=40_7, no=1391, id=880, vol=1.236923e+06
    or (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   17 and name   HN)
    or (segid "   A" and resid   18 and name HG13) (segid "   A" and resid   17 and name   HN)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   20 and name HG22) 2.964 1.098 1.098 weight 1.000 ! spec=40_7, no=1392, id=881, vol=1.788930e+06
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   20 and name HG21)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   20 and name HG23)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   20 and name HG22) 3.903 1.905 1.905 weight 1.000 ! spec=40_7, no=1395, id=883, vol=3.430110e+05
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   20 and name HG21)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   20 and name HG23)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name   HN) 3.681 1.694 1.694 weight 1.000 ! spec=40_7, no=1398, id=885, vol=4.875670e+05
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   18 and name   HN) 3.133 1.227 1.227 weight 1.000 ! spec=40_7, no=1404, id=889, vol=1.282408e+06
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   18 and name   HN) 3.138 1.231 1.231 weight 1.000 ! spec=40_7, no=1405, id=890, vol=1.269655e+06
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   18 and name   HN) 3.201 1.281 1.281 weight 1.000 ! spec=40_7, no=1407, id=891, vol=1.127467e+06
assign (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name HG22) 1.694 0.359 0.359 weight 1.000 ! spec=40_7, no=1416, id=893, vol=5.127558e+07
    or (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name HG23)
    or (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   18 and name HG22)
    or (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   18 and name HG23)
    or (segid "   A" and resid   18 and name HG13) (segid "   A" and resid   18 and name HG22)
    or (segid "   A" and resid   18 and name HG13) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name HG13) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   31 and name  HD2) 3.256 1.325 1.325 weight 1.000 ! spec=40_7, no=1418, id=894, vol=1.018262e+06
    or (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   31 and name  HD2)
    or (segid "   A" and resid   18 and name HG13) (segid "   A" and resid   31 and name  HD2)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    3 and name   HA) 3.254 1.323 1.323 weight 1.000 ! spec=40_7, no=1427, id=896, vol=1.022866e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name HG22) 3.808 1.813 1.813 weight 1.000 ! spec=40_7, no=1428, id=897, vol=3.977830e+05
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name HG21)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name HG23)
assign (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   19 and name  HB2) 1.875 0.440 0.440 weight 1.000 ! spec=40_7, no=1432, id=899, vol=2.790323e+07
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name   HA) 2.422 0.733 0.733 weight 1.000 ! spec=40_7, no=1441, id=902, vol=6.006752e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   22 and name  HD1) 3.635 1.652 1.652 weight 1.000 ! spec=40_7, no=1444, id=903, vol=5.260410e+05
assign (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   29 and name   HA) 3.396 1.442 1.442 weight 1.000 ! spec=40_7, no=1455, id=908, vol=7.910970e+05
assign (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   21 and name   HN) 2.717 0.923 0.923 weight 1.000 ! spec=40_7, no=1457, id=909, vol=3.016308e+06
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   21 and name   HN)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   21 and name   HN)
assign (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   20 and name   HN) 2.876 1.034 1.034 weight 1.000 ! spec=40_7, no=1459, id=911, vol=2.145148e+06
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   20 and name   HN)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   20 and name   HN)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   20 and name   HB) 3.744 1.752 1.752 weight 1.000 ! spec=40_7, no=1468, id=916, vol=4.407280e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   21 and name   HA) 3.446 1.484 1.484 weight 1.000 ! spec=40_7, no=1472, id=918, vol=7.245660e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   21 and name   HA) 3.476 1.510 1.510 weight 1.000 ! spec=40_7, no=1473, id=919, vol=6.879180e+05
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   22 and name   HA) 3.287 1.351 1.351 weight 1.000 ! spec=40_7, no=1484, id=920, vol=9.618770e+05
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   11 and name  HB2) 2.980 1.110 1.110 weight 1.000 ! spec=40_7, no=1489, id=922, vol=1.732997e+06
assign (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   22 and name   HA) 3.058 1.169 1.169 weight 1.000 ! spec=40_7, no=1491, id=923, vol=1.483636e+06
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   37 and name HD11) 2.143 0.574 0.574 weight 1.000 ! spec=40_7, no=1497, id=928, vol=1.251096e+07
    or (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   37 and name HD13)
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   11 and name  HD1) 3.785 1.791 1.791 weight 1.000 ! spec=40_7, no=1504, id=932, vol=4.128010e+05
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   11 and name  HD1) 3.644 1.660 1.660 weight 1.000 ! spec=40_7, no=1505, id=933, vol=5.177880e+05
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name   HN) 2.087 0.545 0.545 weight 1.000 ! spec=40_7, no=1517, id=936, vol=1.466737e+07
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   10 and name  HD2) 3.755 1.763 1.763 weight 1.000 ! spec=40_7, no=1523, id=937, vol=4.326680e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HD1) 3.579 1.601 1.601 weight 1.000 ! spec=40_7, no=1524, id=938, vol=5.769710e+05
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    9 and name   HN) 2.879 1.036 1.036 weight 1.000 ! spec=40_7, no=1526, id=939, vol=2.131363e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   28 and name HG12) 3.337 1.392 1.392 weight 1.000 ! spec=40_7, no=1528, id=940, vol=8.789120e+05
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid    9 and name   HN) 3.104 1.205 1.205 weight 1.000 ! spec=40_7, no=1530, id=941, vol=1.355859e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    9 and name   HN)
assign (segid "   A" and resid   23 and name  HG2) (segid "   A" and resid   23 and name   HN) 2.740 0.939 0.939 weight 1.000 ! spec=40_7, no=1533, id=942, vol=2.865914e+06
assign (segid "   A" and resid   23 and name   HE) (segid "   A" and resid   30 and name   HA) 3.628 1.645 1.645 weight 1.000 ! spec=40_7, no=1540, id=943, vol=5.323190e+05
assign (segid "   A" and resid   23 and name   HE) (segid "   A" and resid   23 and name  HD1) 2.634 0.867 0.867 weight 1.000 ! spec=40_7, no=1542, id=944, vol=3.634422e+06
assign (segid "   A" and resid   23 and name   HE) (segid "   A" and resid   23 and name  HD2) 2.712 0.919 0.919 weight 1.000 ! spec=40_7, no=1543, id=945, vol=3.052481e+06
assign (segid "   A" and resid   31 and name   HE) (segid "   A" and resid   31 and name  HB2) 3.668 1.682 1.682 weight 1.000 ! spec=40_7, no=1544, id=946, vol=4.983060e+05
assign (segid "   A" and resid   23 and name   HE) (segid "   A" and resid   23 and name  HB2) 3.498 1.529 1.529 weight 1.000 ! spec=40_7, no=1545, id=947, vol=6.627110e+05
assign (segid "   A" and resid   23 and name   HE) (segid "   A" and resid   23 and name  HG2) 3.089 1.193 1.193 weight 1.000 ! spec=40_7, no=1546, id=948, vol=1.396261e+06
assign (segid "   A" and resid   23 and name   HE) (segid "   A" and resid   23 and name  HB1) 3.221 1.297 1.297 weight 1.000 ! spec=40_7, no=1547, id=949, vol=1.087362e+06
assign (segid "   A" and resid   23 and name  HD2) (segid "   A" and resid   23 and name  HG2) 2.298 0.660 0.660 weight 1.000 ! spec=40_7, no=1553, id=954, vol=8.236128e+06
assign (segid "   A" and resid   23 and name  HD2) (segid "   A" and resid   30 and name   HA) 3.573 1.596 1.596 weight 1.000 ! spec=40_7, no=1558, id=958, vol=5.833880e+05
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   30 and name   HA) 3.359 1.411 1.411 weight 1.000 ! spec=40_7, no=1559, id=959, vol=8.440900e+05
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name  HB1) 1.888 0.445 0.445 weight 1.000 ! spec=40_7, no=1568, id=967, vol=2.681097e+07
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name  HB1) 1.830 0.418 0.418 weight 1.000 ! spec=40_7, no=1570, id=969, vol=3.233127e+07
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name   HG) 2.573 0.828 0.828 weight 1.000 ! spec=40_7, no=1579, id=972, vol=4.179873e+06
assign (segid "   A" and resid   24 and name HD13) (segid "   A" and resid   25 and name   HA) 2.752 0.947 0.947 weight 1.000 ! spec=40_7, no=1587, id=973, vol=2.790359e+06
    or (segid "   A" and resid   24 and name HD11) (segid "   A" and resid   25 and name   HA)
    or (segid "   A" and resid   24 and name HD12) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   24 and name   HA) 3.474 1.508 1.508 weight 1.000 ! spec=40_7, no=1620, id=978, vol=6.903990e+05
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   29 and name  HB2) 3.100 1.201 1.201 weight 1.000 ! spec=40_7, no=1637, id=979, vol=1.368342e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   33 and name   HA) 3.735 1.744 1.744 weight 1.000 ! spec=40_7, no=1639, id=980, vol=4.465650e+05
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   31 and name   HN) 3.178 1.263 1.263 weight 1.000 ! spec=40_7, no=1640, id=981, vol=1.176679e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name   HN) 3.387 1.434 1.434 weight 1.000 ! spec=40_7, no=1642, id=982, vol=8.034860e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name  HG2) 3.351 1.403 1.403 weight 1.000 ! spec=40_7, no=1650, id=984, vol=8.571770e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   36 and name   HA) 3.993 1.993 1.993 weight 1.000 ! spec=40_7, no=1653, id=986, vol=2.994770e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name  HB1) 2.460 0.756 0.756 weight 1.000 ! spec=40_7, no=1659, id=987, vol=5.474496e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   29 and name  HB1) 3.840 1.844 1.844 weight 1.000 ! spec=40_7, no=1661, id=988, vol=3.781910e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   21 and name   HA) 3.282 1.347 1.347 weight 1.000 ! spec=40_7, no=1673, id=990, vol=9.706600e+05
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name   HA) 2.693 0.906 0.906 weight 1.000 ! spec=40_7, no=1679, id=991, vol=3.181476e+06
assign (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   19 and name   HN) 1.842 0.424 0.424 weight 1.000 ! spec=40_7, no=1681, id=992, vol=3.101817e+07
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name  HB1) 3.466 1.502 1.502 weight 1.000 ! spec=40_7, no=1685, id=993, vol=6.992430e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   30 and name  HD2) 3.388 1.435 1.435 weight 1.000 ! spec=40_7, no=1687, id=994, vol=8.022160e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   34 and name  HB1) 3.314 1.373 1.373 weight 1.000 ! spec=40_7, no=1688, id=995, vol=9.160130e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB2) 3.010 1.132 1.132 weight 1.000 ! spec=40_7, no=1690, id=996, vol=1.632849e+06
assign (segid "   A" and resid   31 and name   HE) (segid "   A" and resid   31 and name  HD1) 2.711 0.919 0.919 weight 1.000 ! spec=40_7, no=1692, id=997, vol=3.056826e+06
assign (segid "   A" and resid   28 and name HG11) (segid "   A" and resid   28 and name   HN) 2.458 0.755 0.755 weight 1.000 ! spec=40_7, no=1697, id=998, vol=5.505065e+06
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    8 and name  HD1) 2.760 0.952 0.952 weight 1.000 ! spec=40_7, no=1701, id=1000, vol=2.746477e+06
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    8 and name  HD2) 3.160 1.248 1.248 weight 1.000 ! spec=40_7, no=1703, id=1001, vol=1.218270e+06
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    8 and name  HD2) 3.040 1.155 1.155 weight 1.000 ! spec=40_7, no=1704, id=1002, vol=1.537045e+06
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name  HB1) 1.418 0.252 0.252 weight 1.000 ! spec=40_7, no=1707, id=1004, vol=1.489609e+08
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name HG11) 3.534 1.561 1.561 weight 1.000 ! spec=40_7, no=1708, id=1005, vol=6.226230e+05
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   14 and name  HB2) 2.439 0.744 0.744 weight 1.000 ! spec=40_7, no=1715, id=1008, vol=5.760575e+06
    or (segid "   A" and resid   36 and name  HD2) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   37 and name   HN) 3.584 1.606 1.606 weight 1.000 ! spec=40_7, no=1730, id=1009, vol=5.724340e+05
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   37 and name   HN)
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   38 and name  HG1) 3.259 1.328 1.328 weight 1.000 ! spec=40_7, no=1732, id=1010, vol=1.011972e+06
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid    8 and name  HB2) 3.732 1.741 1.741 weight 1.000 ! spec=40_7, no=1736, id=1012, vol=4.489340e+05
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name HD11) 2.911 1.060 1.060 weight 1.000 ! spec=40_7, no=1757, id=1017, vol=1.992292e+06
    or (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name HD12)
    or (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name HD13)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HA2) 2.797 0.978 0.978 weight 1.000 ! spec=40_7, no=1762, id=1022, vol=2.535766e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HA2) 2.370 0.702 0.702 weight 1.000 ! spec=40_7, no=1763, id=1023, vol=6.842497e+06
assign (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   30 and name  HB1) 2.849 1.015 1.015 weight 1.000 ! spec=40_7, no=1766, id=1026, vol=2.268761e+06
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    8 and name  HD1) 1.763 0.389 0.389 weight 1.000 ! spec=40_7, no=1773, id=1032, vol=4.039652e+07
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   22 and name  HD2) 1.634 0.334 0.334 weight 1.000 ! spec=40_7, no=1774, id=1033, vol=6.381720e+07
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   34 and name  HB1) 2.783 0.968 0.968 weight 1.000 ! spec=40_7, no=1781, id=1035, vol=2.610629e+06
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   16 and name   HN) 3.836 1.840 1.840 weight 1.000 ! spec=40_7, no=1789, id=1039, vol=3.806500e+05
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   11 and name  HB2) 2.710 0.918 0.918 weight 1.000 ! spec=40_7, no=1790, id=1040, vol=3.065763e+06
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   22 and name  HD1) 3.166 1.253 1.253 weight 1.000 ! spec=40_7, no=1791, id=1041, vol=1.205732e+06
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   38 and name  HB2) 3.080 1.186 1.186 weight 1.000 ! spec=40_7, no=1794, id=1042, vol=1.421200e+06
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name  HD2) 3.575 1.597 1.597 weight 1.000 ! spec=40_7, no=1803, id=1047, vol=5.816190e+05
assign (segid "   A" and resid   39 and name  HG2) (segid "   A" and resid   39 and name   HN) 3.280 1.345 1.345 weight 1.000 ! spec=40_7, no=1806, id=1048, vol=9.748000e+05
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name  HB1) 1.943 0.472 0.472 weight 1.000 ! spec=40_7, no=1812, id=1053, vol=2.252424e+07
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   12 and name   HA) 3.440 1.479 1.479 weight 1.000 ! spec=40_7, no=1814, id=1054, vol=7.326770e+05
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   39 and name  HB1) 1.743 0.380 0.380 weight 1.000 ! spec=40_7, no=1815, id=1055, vol=4.330600e+07
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   11 and name  HB2) 3.833 1.836 1.836 weight 1.000 ! spec=40_7, no=1816, id=1056, vol=3.828540e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   20 and name HG12) 3.791 1.797 1.797 weight 1.000 ! spec=40_7, no=1826, id=1059, vol=4.084340e+05
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   21 and name   HA) 3.136 1.229 1.229 weight 1.000 ! spec=40_7, no=1828, id=1060, vol=1.276174e+06
assign (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   20 and name   HN) 3.454 1.491 1.491 weight 1.000 ! spec=40_7, no=1838, id=1063, vol=7.149310e+05
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   20 and name   HN)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   20 and name   HN)
assign (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   29 and name   HN) 3.304 1.365 1.365 weight 1.000 ! spec=40_7, no=1841, id=1064, vol=9.327380e+05
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   29 and name   HN)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   29 and name   HN)
assign (segid "   A" and resid   40 and name HD11) (segid "   A" and resid   11 and name   HN) 2.911 1.060 1.060 weight 1.000 ! spec=40_7, no=1842, id=1065, vol=1.992250e+06
    or (segid "   A" and resid   40 and name HD12) (segid "   A" and resid   11 and name   HN)
    or (segid "   A" and resid   40 and name HD13) (segid "   A" and resid   11 and name   HN)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name HD12) 2.870 1.030 1.030 weight 1.000 ! spec=40_7, no=1843, id=1066, vol=2.169623e+06
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name HD11)
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name HD13)
assign (segid "   A" and resid   40 and name HD21) (segid "   A" and resid   38 and name  HB2) 3.042 1.157 1.157 weight 1.000 ! spec=40_7, no=1844, id=1067, vol=1.530471e+06
    or (segid "   A" and resid   40 and name HD23) (segid "   A" and resid   38 and name  HB2)
    or (segid "   A" and resid   40 and name HD22) (segid "   A" and resid   38 and name  HB2)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   28 and name HG21) 3.183 1.267 1.267 weight 1.000 ! spec=40_7, no=1846, id=1068, vol=1.166361e+06
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   28 and name HG22)
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   28 and name HG23)
assign (segid "   A" and resid   28 and name HG21) (segid "   A" and resid   33 and name  HB1) 3.150 1.241 1.241 weight 1.000 ! spec=40_7, no=1849, id=1070, vol=1.241237e+06
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   33 and name  HB1)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   33 and name  HB1)
assign (segid "   A" and resid   28 and name HG21) (segid "   A" and resid   28 and name HG12) 2.306 0.665 0.665 weight 1.000 ! spec=40_7, no=1852, id=1071, vol=8.062431e+06
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   28 and name HG12)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   28 and name HG12)
assign (segid "   A" and resid   37 and name HD11) (segid "   A" and resid   29 and name   HA) 4.057 2.057 2.057 weight 1.000 ! spec=40_7, no=1854, id=1072, vol=2.721310e+05
    or (segid "   A" and resid   37 and name HD12) (segid "   A" and resid   29 and name   HA)
    or (segid "   A" and resid   37 and name HD13) (segid "   A" and resid   29 and name   HA)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   23 and name   HN) 1.904 0.453 0.453 weight 1.000 ! spec=40_7, no=1855, id=1073, vol=2.548224e+07
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name   HN) 2.088 0.545 0.545 weight 1.000 ! spec=40_7, no=1856, id=1074, vol=1.462537e+07
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name   HN) 2.416 0.730 0.730 weight 1.000 ! spec=40_7, no=1875, id=1075, vol=6.101836e+06
assign (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   20 and name   HN) 3.077 1.184 1.184 weight 1.000 ! spec=40_7, no=1881, id=1076, vol=1.428475e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   23 and name  HB1) 3.136 1.230 1.230 weight 1.000 ! spec=40_7, no=1906, id=1077, vol=1.274936e+06
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   24 and name HD21) 3.216 1.293 1.293 weight 1.000 ! spec=40_7, no=1909, id=1078, vol=1.096803e+06
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   28 and name HG11) (segid "   A" and resid   26 and name  HB2) 2.635 0.868 0.868 weight 1.000 ! spec=40_7, no=1915, id=1082, vol=3.627749e+06
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   28 and name HG12) 3.200 1.280 1.280 weight 1.000 ! spec=40_7, no=1916, id=1083, vol=1.130869e+06
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD13) 2.519 0.793 0.793 weight 1.000 ! spec=40_7, no=1920, id=1084, vol=4.745454e+06
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD12)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   12 and name  HB2) 1.853 0.429 0.429 weight 1.000 ! spec=41_2, no=5, id=1086, vol=2.812144e+07
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   12 and name  HB2)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   27 and name  HB2) 1.969 0.485 0.485 weight 1.000 ! spec=41_2, no=7, id=1087, vol=1.953603e+07
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   24 and name HD21) 2.416 0.730 0.730 weight 1.000 ! spec=41_2, no=8, id=1088, vol=5.723112e+06
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   24 and name HD23)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   24 and name HD21)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   24 and name HD21) 2.361 0.697 0.697 weight 1.000 ! spec=41_2, no=9, id=1089, vol=6.561680e+06
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   24 and name HD23)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   24 and name HD21)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   37 and name HD11) 2.611 0.852 0.852 weight 1.000 ! spec=41_2, no=10, id=1090, vol=3.589115e+06
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   37 and name HD13)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   37 and name HD11)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   37 and name HD13)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   37 and name HD11) 2.732 0.933 0.933 weight 1.000 ! spec=41_2, no=12, id=1091, vol=2.736201e+06
    or (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   37 and name HD13)
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   37 and name HD11)
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   37 and name HD13)
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   11 and name   HA) 2.319 0.672 0.672 weight 1.000 ! spec=41_2, no=16, id=1095, vol=7.315834e+06
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   38 and name  HB2) 2.251 0.633 0.633 weight 1.000 ! spec=41_2, no=21, id=1097, vol=8.746380e+06
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   11 and name  HD1) 2.476 0.766 0.766 weight 1.000 ! spec=41_2, no=22, id=1098, vol=4.934881e+06
    or (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid   37 and name HG12) (segid "   A" and resid   11 and name  HD1) 2.586 0.836 0.836 weight 1.000 ! spec=41_2, no=24, id=1099, vol=3.801936e+06
    or (segid "   A" and resid   37 and name HG12) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   22 and name  HG2) 2.344 0.687 0.687 weight 1.000 ! spec=41_2, no=25, id=1100, vol=6.854879e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   22 and name  HG2) 2.528 0.799 0.799 weight 1.000 ! spec=41_2, no=26, id=1101, vol=4.360131e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   12 and name   HA) 2.292 0.656 0.656 weight 1.000 ! spec=41_2, no=27, id=1102, vol=7.853073e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   12 and name   HA)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   19 and name   HA) 2.385 0.711 0.711 weight 1.000 ! spec=41_2, no=28, id=1103, vol=6.182377e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   17 and name  HB2) 2.400 0.720 0.720 weight 1.000 ! spec=41_2, no=29, id=1104, vol=5.954927e+06
    or (segid "   A" and resid   12 and name  HE2) (segid "   A" and resid   17 and name  HB2)
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   18 and name   HA) 2.317 0.671 0.671 weight 1.000 ! spec=41_2, no=32, id=1105, vol=7.349671e+06
    or (segid "   A" and resid   12 and name  HE2) (segid "   A" and resid   18 and name   HA)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   21 and name   HA) 2.771 0.960 0.960 weight 1.000 ! spec=41_2, no=34, id=1106, vol=2.510434e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   36 and name   HA) 2.283 0.651 0.651 weight 1.000 ! spec=41_2, no=37, id=1107, vol=8.040648e+06
    or (segid "   A" and resid   36 and name  HD2) (segid "   A" and resid   36 and name   HA)
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   12 and name  HD1) 1.747 0.381 0.381 weight 1.000 ! spec=41_2, no=40, id=1109, vol=4.006093e+07
    or (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   12 and name  HD2)
    or (segid "   A" and resid   12 and name  HE2) (segid "   A" and resid   12 and name  HD1)
    or (segid "   A" and resid   12 and name  HE2) (segid "   A" and resid   12 and name  HD2)
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   28 and name HG21) 2.622 0.859 0.859 weight 1.000 ! spec=41_2, no=57, id=1117, vol=3.500155e+06
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   28 and name HG22)
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   28 and name HG23)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   22 and name  HD1) 2.624 0.861 0.861 weight 1.000 ! spec=41_2, no=68, id=1120, vol=3.486236e+06
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   22 and name  HD1)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   22 and name  HG1) 2.526 0.798 0.798 weight 1.000 ! spec=41_2, no=75, id=1124, vol=4.374136e+06
assign (segid "   A" and resid   31 and name  HD2) (segid "   A" and resid   20 and name HG22) 2.787 0.971 0.971 weight 1.000 ! spec=41_2, no=77, id=1126, vol=2.426912e+06
    or (segid "   A" and resid   31 and name  HD2) (segid "   A" and resid   20 and name HG21)
    or (segid "   A" and resid   31 and name  HD2) (segid "   A" and resid   20 and name HG23)
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name  HB2) 2.281 0.650 0.650 weight 1.000 ! spec=41_2, no=82, id=1128, vol=8.086887e+06
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   31 and name  HG2) 2.463 0.758 0.758 weight 1.000 ! spec=41_2, no=84, id=1130, vol=5.097127e+06
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name   HA) 2.518 0.793 0.793 weight 1.000 ! spec=41_2, no=92, id=1134, vol=4.462228e+06
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   25 and name  HG1) 2.422 0.733 0.733 weight 1.000 ! spec=41_2, no=93, id=1135, vol=5.637563e+06
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   25 and name  HB2) 2.640 0.871 0.871 weight 1.000 ! spec=41_2, no=100, id=1140, vol=3.358478e+06
assign (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   25 and name  HD2) 2.258 0.637 0.637 weight 1.000 ! spec=41_2, no=105, id=1142, vol=8.584474e+06
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HG2) 2.239 0.627 0.627 weight 1.000 ! spec=41_2, no=106, id=1143, vol=9.033930e+06
assign (segid "   A" and resid    6 and name  HG2) (segid "   A" and resid    6 and name  HD2) 2.467 0.761 0.761 weight 1.000 ! spec=41_2, no=109, id=1144, vol=5.041617e+06
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HG2) 2.334 0.681 0.681 weight 1.000 ! spec=41_2, no=112, id=1145, vol=7.036898e+06
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HG2) 2.232 0.623 0.623 weight 1.000 ! spec=41_2, no=116, id=1146, vol=9.193509e+06
assign (segid "   A" and resid   31 and name  HD2) (segid "   A" and resid   31 and name  HG2) 2.229 0.621 0.621 weight 1.000 ! spec=41_2, no=120, id=1149, vol=9.286454e+06
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HB1) 1.866 0.435 0.435 weight 1.000 ! spec=41_2, no=121, id=1150, vol=2.691078e+07
assign (segid "   A" and resid   18 and name HG22) (segid "   A" and resid   31 and name  HD2) 2.655 0.881 0.881 weight 1.000 ! spec=41_2, no=146, id=1156, vol=3.249310e+06
    or (segid "   A" and resid   18 and name HG21) (segid "   A" and resid   31 and name  HD2)
    or (segid "   A" and resid   18 and name HG23) (segid "   A" and resid   31 and name  HD2)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   40 and name HD11) 2.969 1.102 1.102 weight 1.000 ! spec=41_2, no=151, id=1158, vol=1.661868e+06
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   40 and name HD12)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   40 and name HD13)
assign (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   29 and name  HB2) 2.801 0.981 0.981 weight 1.000 ! spec=41_2, no=152, id=1159, vol=2.355341e+06
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   29 and name  HB2)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   29 and name  HB2)
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   37 and name HG22) 2.782 0.967 0.967 weight 1.000 ! spec=41_2, no=153, id=1160, vol=2.455565e+06
    or (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   40 and name   HG) 2.506 0.785 0.785 weight 1.000 ! spec=41_2, no=156, id=1162, vol=4.591140e+06
assign (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   13 and name  HB2) 2.733 0.933 0.933 weight 1.000 ! spec=41_2, no=157, id=1163, vol=2.732670e+06
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   13 and name  HB2)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   13 and name  HB2)
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name  HG2) 2.226 0.619 0.619 weight 1.000 ! spec=41_2, no=165, id=1167, vol=9.361114e+06
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name  HG1) 1.972 0.486 0.486 weight 1.000 ! spec=41_2, no=171, id=1169, vol=1.932714e+07
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name  HB2) 2.021 0.511 0.511 weight 1.000 ! spec=41_2, no=172, id=1170, vol=1.669598e+07
assign (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG22) 2.076 0.539 0.539 weight 1.000 ! spec=41_2, no=188, id=1177, vol=1.419218e+07
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   20 and name   HB) 2.162 0.584 0.584 weight 1.000 ! spec=41_2, no=192, id=1180, vol=1.112838e+07
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   20 and name   HB)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   20 and name   HB)
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   37 and name HD11) 2.758 0.951 0.951 weight 1.000 ! spec=41_2, no=208, id=1188, vol=2.583588e+06
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   37 and name HD13)
assign (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   37 and name HD11) 2.324 0.675 0.675 weight 1.000 ! spec=41_2, no=213, id=1192, vol=7.225256e+06
    or (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   37 and name HD13)
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   37 and name HD11)
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   37 and name HD13)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   37 and name HD11)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   37 and name HD12)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   37 and name HD13)
assign (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   20 and name HD11) 2.167 0.587 0.587 weight 1.000 ! spec=41_2, no=221, id=1197, vol=1.099726e+07
    or (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   20 and name HD13)
assign (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   37 and name   HB) 2.135 0.570 0.570 weight 1.000 ! spec=41_2, no=223, id=1198, vol=1.201784e+07
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   37 and name   HB)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   37 and name   HB)
assign (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   28 and name HG11) 2.157 0.581 0.581 weight 1.000 ! spec=41_2, no=227, id=1201, vol=1.130299e+07
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HG1) 1.833 0.420 0.420 weight 1.000 ! spec=41_2, no=232, id=1204, vol=2.996684e+07
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name HG22) 1.966 0.483 0.483 weight 1.000 ! spec=41_2, no=235, id=1207, vol=1.970519e+07
    or (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG12) 2.127 0.565 0.565 weight 1.000 ! spec=41_2, no=242, id=1208, vol=1.228829e+07
    or (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG11)
    or (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG13)
assign (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG22) 2.066 0.533 0.533 weight 1.000 ! spec=41_2, no=243, id=1209, vol=1.463624e+07
    or (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   40 and name HD11) (segid "   A" and resid   10 and name  HB2) 2.599 0.844 0.844 weight 1.000 ! spec=41_2, no=250, id=1212, vol=3.693613e+06
    or (segid "   A" and resid   40 and name HD12) (segid "   A" and resid   10 and name  HB2)
    or (segid "   A" and resid   40 and name HD13) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   30 and name  HG1) 2.641 0.872 0.872 weight 1.000 ! spec=41_2, no=253, id=1214, vol=3.356066e+06
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   30 and name  HG1)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   30 and name  HG1)
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   28 and name HD12) 2.486 0.772 0.772 weight 1.000 ! spec=41_2, no=254, id=1215, vol=4.819845e+06
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   28 and name HD11)
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   28 and name HD13)
assign (segid "   A" and resid   28 and name HD12) (segid "   A" and resid   26 and name  HB2) 2.340 0.684 0.684 weight 1.000 ! spec=41_2, no=261, id=1217, vol=6.934822e+06
    or (segid "   A" and resid   28 and name HD11) (segid "   A" and resid   26 and name  HB2)
    or (segid "   A" and resid   28 and name HD13) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   18 and name HG12) 2.871 1.031 1.031 weight 1.000 ! spec=41_2, no=263, id=1219, vol=2.029422e+06
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   18 and name HG11)
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   18 and name HG13)
assign (segid "   A" and resid   40 and name HD21) (segid "   A" and resid   12 and name  HB2) 2.270 0.644 0.644 weight 1.000 ! spec=41_2, no=264, id=1220, vol=8.319915e+06
    or (segid "   A" and resid   40 and name HD23) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid   40 and name HD22) (segid "   A" and resid   12 and name  HB2)
assign (segid "   A" and resid   40 and name HD11) (segid "   A" and resid   12 and name  HB2) 2.182 0.595 0.595 weight 1.000 ! spec=41_2, no=265, id=1221, vol=1.053919e+07
    or (segid "   A" and resid   40 and name HD12) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid   40 and name HD13) (segid "   A" and resid   12 and name  HB2)
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   18 and name HG22) 2.374 0.704 0.704 weight 1.000 ! spec=41_2, no=268, id=1224, vol=6.354897e+06
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   13 and name  HB2) 2.361 0.697 0.697 weight 1.000 ! spec=41_2, no=270, id=1226, vol=6.567585e+06
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   13 and name  HB2)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   13 and name  HB2)
assign (segid "   A" and resid   18 and name HG22) (segid "   A" and resid   31 and name  HD1) 2.483 0.771 0.771 weight 1.000 ! spec=41_2, no=279, id=1233, vol=4.855716e+06
    or (segid "   A" and resid   18 and name HG21) (segid "   A" and resid   31 and name  HD1)
    or (segid "   A" and resid   18 and name HG23) (segid "   A" and resid   31 and name  HD1)
assign (segid "   A" and resid   23 and name  HD2) (segid "   A" and resid   28 and name HD12) 2.755 0.949 0.949 weight 1.000 ! spec=41_2, no=280, id=1234, vol=2.602036e+06
    or (segid "   A" and resid   23 and name  HD2) (segid "   A" and resid   28 and name HD11)
    or (segid "   A" and resid   23 and name  HD2) (segid "   A" and resid   28 and name HD13)
assign (segid "   A" and resid   31 and name  HD1) (segid "   A" and resid   20 and name HG22) 2.736 0.936 0.936 weight 1.000 ! spec=41_2, no=284, id=1238, vol=2.711069e+06
    or (segid "   A" and resid   31 and name  HD1) (segid "   A" and resid   20 and name HG21)
    or (segid "   A" and resid   31 and name  HD1) (segid "   A" and resid   20 and name HG23)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name  HD1) 2.564 0.822 0.822 weight 1.000 ! spec=41_2, no=286, id=1240, vol=4.000244e+06
assign (segid "   A" and resid   31 and name  HD1) (segid "   A" and resid   31 and name  HG2) 2.271 0.644 0.644 weight 1.000 ! spec=41_2, no=289, id=1243, vol=8.300387e+06
assign (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   25 and name  HD1) 2.371 0.702 0.702 weight 1.000 ! spec=41_2, no=295, id=1248, vol=6.409107e+06
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    8 and name  HG2) 2.172 0.590 0.590 weight 1.000 ! spec=41_2, no=298, id=1250, vol=1.083666e+07
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   39 and name   HA) 2.380 0.708 0.708 weight 1.000 ! spec=41_2, no=302, id=1252, vol=6.255037e+06
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name  HD2) 2.819 0.993 0.993 weight 1.000 ! spec=41_2, no=304, id=1254, vol=2.266376e+06
assign (segid "   A" and resid   30 and name  HG2) (segid "   A" and resid   30 and name  HD1) 2.565 0.822 0.822 weight 1.000 ! spec=41_2, no=305, id=1255, vol=3.999095e+06
assign (segid "   A" and resid   30 and name  HG1) (segid "   A" and resid   30 and name  HD2) 2.578 0.831 0.831 weight 1.000 ! spec=41_2, no=310, id=1257, vol=3.874485e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HB1) 2.301 0.662 0.662 weight 1.000 ! spec=41_2, no=311, id=1258, vol=7.665439e+06
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HB1) 2.059 0.530 0.530 weight 1.000 ! spec=41_2, no=313, id=1259, vol=1.492097e+07
assign (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name   HA) 2.167 0.587 0.587 weight 1.000 ! spec=41_2, no=314, id=1260, vol=1.099910e+07
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    8 and name   HA) 2.425 0.735 0.735 weight 1.000 ! spec=41_2, no=315, id=1261, vol=5.589146e+06
assign (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name   HA) 2.636 0.869 0.869 weight 1.000 ! spec=41_2, no=316, id=1262, vol=3.391538e+06
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name   HA) 2.411 0.727 0.727 weight 1.000 ! spec=41_2, no=318, id=1263, vol=5.791203e+06
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name   HA) 2.405 0.723 0.723 weight 1.000 ! spec=41_2, no=319, id=1264, vol=5.878578e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HB2) 2.447 0.748 0.748 weight 1.000 ! spec=41_2, no=320, id=1265, vol=5.301525e+06
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name   HA) 2.487 0.773 0.773 weight 1.000 ! spec=41_2, no=322, id=1266, vol=4.807142e+06
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   38 and name   HA) 2.260 0.639 0.639 weight 1.000 ! spec=41_2, no=323, id=1267, vol=8.533771e+06
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name   HA) 2.270 0.644 0.644 weight 1.000 ! spec=41_2, no=324, id=1268, vol=8.304286e+06
assign (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   28 and name   HA) 2.230 0.622 0.622 weight 1.000 ! spec=41_2, no=325, id=1269, vol=9.241467e+06
assign (segid "   A" and resid   20 and name   HB) (segid "   A" and resid   20 and name   HA) 2.064 0.533 0.533 weight 1.000 ! spec=41_2, no=326, id=1270, vol=1.470014e+07
assign (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   20 and name   HA) 1.975 0.488 0.488 weight 1.000 ! spec=41_2, no=327, id=1271, vol=1.915501e+07
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   20 and name   HA)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   20 and name   HA)
assign (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   20 and name   HA) 2.590 0.838 0.838 weight 1.000 ! spec=41_2, no=328, id=1272, vol=3.768956e+06
    or (segid "   A" and resid   21 and name HG13) (segid "   A" and resid   20 and name   HA)
    or (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   20 and name   HA)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   21 and name   HA) 2.206 0.608 0.608 weight 1.000 ! spec=41_2, no=332, id=1273, vol=9.865514e+06
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   21 and name   HA)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   13 and name   HA) 2.161 0.584 0.584 weight 1.000 ! spec=41_2, no=333, id=1274, vol=1.115505e+07
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   13 and name   HA)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   13 and name   HA)
assign (segid "   A" and resid   28 and name HG21) (segid "   A" and resid   28 and name   HA) 2.036 0.518 0.518 weight 1.000 ! spec=41_2, no=334, id=1275, vol=1.596691e+07
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   28 and name   HA)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid   37 and name HD11) (segid "   A" and resid   28 and name   HA) 2.600 0.845 0.845 weight 1.000 ! spec=41_2, no=335, id=1276, vol=3.680357e+06
    or (segid "   A" and resid   37 and name HD12) (segid "   A" and resid   28 and name   HA)
    or (segid "   A" and resid   37 and name HD13) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name HG22) 2.275 0.647 0.647 weight 1.000 ! spec=41_2, no=339, id=1277, vol=8.204406e+06
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name   HB) 2.475 0.766 0.766 weight 1.000 ! spec=41_2, no=342, id=1279, vol=4.951420e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   12 and name  HE1) 2.066 0.534 0.534 weight 1.000 ! spec=41_2, no=357, id=1287, vol=1.462017e+07
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   12 and name  HE2)
assign (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   11 and name  HD1) 2.592 0.840 0.840 weight 1.000 ! spec=41_2, no=358, id=1288, vol=3.753225e+06
    or (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid   17 and name  HB1) 2.873 1.032 1.032 weight 1.000 ! spec=41_2, no=362, id=1290, vol=2.022648e+06
    or (segid "   A" and resid   12 and name  HE2) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   19 and name  HB2) 2.664 0.887 0.887 weight 1.000 ! spec=41_2, no=364, id=1292, vol=3.184143e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   19 and name  HB2)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   38 and name  HB2) 2.789 0.972 0.972 weight 1.000 ! spec=41_2, no=365, id=1293, vol=2.418006e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   38 and name  HB2)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   19 and name  HG1) 2.688 0.903 0.903 weight 1.000 ! spec=41_2, no=366, id=1294, vol=3.015350e+06
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   19 and name  HG1)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   39 and name  HB2) 2.566 0.823 0.823 weight 1.000 ! spec=41_2, no=367, id=1295, vol=3.981127e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   39 and name  HB2)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   22 and name  HG2) 2.686 0.902 0.902 weight 1.000 ! spec=41_2, no=372, id=1297, vol=3.030816e+06
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   22 and name  HG2) 2.955 1.092 1.092 weight 1.000 ! spec=41_2, no=374, id=1298, vol=1.707516e+06
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   40 and name HD21) (segid "   A" and resid   12 and name  HD1) 2.664 0.887 0.887 weight 1.000 ! spec=41_2, no=376, id=1299, vol=3.184025e+06
    or (segid "   A" and resid   40 and name HD21) (segid "   A" and resid   12 and name  HD2)
    or (segid "   A" and resid   40 and name HD23) (segid "   A" and resid   12 and name  HD1)
    or (segid "   A" and resid   40 and name HD23) (segid "   A" and resid   12 and name  HD2)
    or (segid "   A" and resid   40 and name HD22) (segid "   A" and resid   12 and name  HD1)
    or (segid "   A" and resid   40 and name HD22) (segid "   A" and resid   12 and name  HD2)
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   40 and name HD11) 2.413 0.728 0.728 weight 1.000 ! spec=41_2, no=377, id=1300, vol=5.762658e+06
    or (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   40 and name HD12)
    or (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   40 and name HD13)
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   40 and name HD11)
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   40 and name HD12)
    or (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   40 and name HD13)
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HG2) 2.835 1.005 1.005 weight 1.000 ! spec=41_2, no=378, id=1301, vol=2.191914e+06
assign (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   11 and name  HB1) 2.831 1.002 1.002 weight 1.000 ! spec=41_2, no=381, id=1303, vol=2.208527e+06
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   37 and name HG22) 2.583 0.834 0.834 weight 1.000 ! spec=41_2, no=388, id=1307, vol=3.827131e+06
    or (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   37 and name HG23)
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   18 and name HG22) 2.477 0.767 0.767 weight 1.000 ! spec=41_2, no=393, id=1309, vol=4.923769e+06
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   28 and name HD12) 2.624 0.861 0.861 weight 1.000 ! spec=41_2, no=394, id=1310, vol=3.484034e+06
    or (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   28 and name HD11)
    or (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   28 and name HD13)
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name   HA) 2.385 0.711 0.711 weight 1.000 ! spec=41_2, no=401, id=1311, vol=6.182027e+06
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   39 and name  HG2) 2.853 1.018 1.018 weight 1.000 ! spec=41_2, no=408, id=1315, vol=2.108454e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   39 and name  HG2)
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name  HG2) 2.367 0.700 0.700 weight 1.000 ! spec=41_2, no=410, id=1316, vol=6.465029e+06
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   21 and name   HA) 2.152 0.579 0.579 weight 1.000 ! spec=41_2, no=411, id=1317, vol=1.144391e+07
assign (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   21 and name   HA) 2.137 0.571 0.571 weight 1.000 ! spec=41_2, no=412, id=1318, vol=1.193558e+07
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    7 and name   HA) 2.246 0.631 0.631 weight 1.000 ! spec=41_2, no=413, id=1319, vol=8.852066e+06
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    7 and name   HA) 2.245 0.630 0.630 weight 1.000 ! spec=41_2, no=414, id=1320, vol=8.886064e+06
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   13 and name   HA) 2.543 0.808 0.808 weight 1.000 ! spec=41_2, no=415, id=1321, vol=4.205100e+06
assign (segid "   A" and resid   37 and name HD11) (segid "   A" and resid   37 and name   HA) 3.050 1.163 1.163 weight 1.000 ! spec=41_2, no=416, id=1322, vol=1.413148e+06
    or (segid "   A" and resid   37 and name HD12) (segid "   A" and resid   37 and name   HA)
    or (segid "   A" and resid   37 and name HD13) (segid "   A" and resid   37 and name   HA)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   10 and name   HN) 4.232 2.239 2.239 weight 1.000 ! spec=41_2, no=435, id=1329, vol=1.979870e+05
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   10 and name   HN)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   38 and name   HA) 3.002 1.126 1.126 weight 1.000 ! spec=41_2, no=436, id=1330, vol=1.555124e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   38 and name   HA)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    9 and name  HA2) 3.154 1.243 1.243 weight 1.000 ! spec=41_2, no=437, id=1331, vol=1.156751e+06
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid    9 and name  HA2)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   22 and name  HD2) 2.868 1.028 1.028 weight 1.000 ! spec=41_2, no=439, id=1332, vol=2.044858e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   20 and name HD11) 2.822 0.995 0.995 weight 1.000 ! spec=41_2, no=440, id=1333, vol=2.253009e+06
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   20 and name HD13)
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   20 and name HD11)
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   20 and name HD13)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid    8 and name  HG2) 2.946 1.085 1.085 weight 1.000 ! spec=41_2, no=444, id=1334, vol=1.739517e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    8 and name  HG2)
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HB2) 2.807 0.985 0.985 weight 1.000 ! spec=41_2, no=447, id=1335, vol=2.326360e+06
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   22 and name  HG1) 3.068 1.177 1.177 weight 1.000 ! spec=41_2, no=448, id=1336, vol=1.363587e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   24 and name HD13) 3.025 1.143 1.143 weight 1.000 ! spec=41_2, no=449, id=1337, vol=1.486062e+06
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   24 and name HD13)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   24 and name HD12)
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   33 and name  HG1) 2.888 1.043 1.043 weight 1.000 ! spec=41_2, no=477, id=1352, vol=1.960029e+06
assign (segid "   A" and resid   37 and name HD11) (segid "   A" and resid   22 and name   HA) 2.991 1.118 1.118 weight 1.000 ! spec=41_2, no=480, id=1355, vol=1.589949e+06
    or (segid "   A" and resid   37 and name HD12) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   37 and name HD13) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HB1) 1.772 0.392 0.392 weight 1.000 ! spec=41_2, no=481, id=1356, vol=3.674653e+07
assign (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   29 and name   HA) 2.137 0.571 0.571 weight 1.000 ! spec=41_2, no=482, id=1357, vol=1.194315e+07
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name  HB1) 1.827 0.417 0.417 weight 1.000 ! spec=41_2, no=483, id=1358, vol=3.063206e+07
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   30 and name  HD1) 1.832 0.420 0.420 weight 1.000 ! spec=41_2, no=484, id=1359, vol=3.006036e+07
assign (segid "   A" and resid   35 and name  HA1) (segid "   A" and resid   28 and name HG21) 2.643 0.873 0.873 weight 1.000 ! spec=41_2, no=485, id=1360, vol=3.337326e+06
    or (segid "   A" and resid   35 and name  HA1) (segid "   A" and resid   28 and name HG22)
    or (segid "   A" and resid   35 and name  HA1) (segid "   A" and resid   28 and name HG23)
assign (segid "   A" and resid   35 and name  HA1) (segid "   A" and resid   35 and name  HA2) 1.767 0.390 0.390 weight 1.000 ! spec=41_2, no=486, id=1361, vol=3.732801e+07
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB2) 2.121 0.562 0.562 weight 1.000 ! spec=41_2, no=489, id=1362, vol=1.250799e+07
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name  HG2) 2.427 0.736 0.736 weight 1.000 ! spec=41_2, no=494, id=1366, vol=5.563828e+06
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    5 and name   HA) 2.295 0.658 0.658 weight 1.000 ! spec=41_2, no=495, id=1367, vol=7.784281e+06
assign (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   20 and name HD11) 2.969 1.102 1.102 weight 1.000 ! spec=41_2, no=503, id=1372, vol=1.661447e+06
    or (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   20 and name HD13)
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   22 and name   HA) 3.012 1.134 1.134 weight 1.000 ! spec=41_2, no=507, id=1373, vol=1.524565e+06
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   36 and name   HA) 2.652 0.879 0.879 weight 1.000 ! spec=41_2, no=509, id=1374, vol=3.272120e+06
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   15 and name   HA) 2.415 0.729 0.729 weight 1.000 ! spec=41_2, no=511, id=1375, vol=5.732977e+06
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name   HA) 2.477 0.767 0.767 weight 1.000 ! spec=41_2, no=515, id=1379, vol=4.923615e+06
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name   HA) 2.347 0.688 0.688 weight 1.000 ! spec=41_2, no=517, id=1380, vol=6.808270e+06
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HB1) 2.183 0.596 0.596 weight 1.000 ! spec=41_2, no=521, id=1382, vol=1.050159e+07
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HG1) 2.348 0.689 0.689 weight 1.000 ! spec=41_2, no=522, id=1383, vol=6.791676e+06
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name  HD1) 2.808 0.985 0.985 weight 1.000 ! spec=41_2, no=524, id=1384, vol=2.322020e+06
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name  HD1) 3.030 1.148 1.148 weight 1.000 ! spec=41_2, no=525, id=1385, vol=1.470225e+06
assign (segid "   A" and resid   31 and name  HD2) (segid "   A" and resid   31 and name  HB2) 2.825 0.998 0.998 weight 1.000 ! spec=41_2, no=526, id=1386, vol=2.238172e+06
assign (segid "   A" and resid   31 and name  HD1) (segid "   A" and resid   31 and name  HD2) 1.669 0.348 0.348 weight 1.000 ! spec=41_2, no=527, id=1387, vol=5.272132e+07
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name   HA) 2.292 0.657 0.657 weight 1.000 ! spec=41_2, no=530, id=1388, vol=7.845369e+06
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   32 and name   HA) 2.271 0.645 0.645 weight 1.000 ! spec=41_2, no=531, id=1389, vol=8.294546e+06
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   28 and name HD12) 2.793 0.975 0.975 weight 1.000 ! spec=41_2, no=532, id=1390, vol=2.394157e+06
    or (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   28 and name HD11)
    or (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   28 and name HD13)
assign (segid "   A" and resid   23 and name  HD2) (segid "   A" and resid   23 and name  HB1) 2.540 0.807 0.807 weight 1.000 ! spec=41_2, no=533, id=1391, vol=4.232574e+06
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   23 and name  HB1) 2.361 0.697 0.697 weight 1.000 ! spec=41_2, no=534, id=1392, vol=6.566170e+06
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   23 and name  HG2) 2.222 0.617 0.617 weight 1.000 ! spec=41_2, no=535, id=1393, vol=9.440870e+06
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   23 and name  HB2) 2.708 0.916 0.916 weight 1.000 ! spec=41_2, no=537, id=1394, vol=2.886646e+06
assign (segid "   A" and resid   23 and name  HD2) (segid "   A" and resid   23 and name  HB2) 2.261 0.639 0.639 weight 1.000 ! spec=41_2, no=538, id=1395, vol=8.518287e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB1) 2.500 0.782 0.782 weight 1.000 ! spec=41_2, no=541, id=1397, vol=4.654874e+06
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name   HA) 2.579 0.832 0.832 weight 1.000 ! spec=41_2, no=550, id=1405, vol=3.864009e+06
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name   HA) 2.530 0.800 0.800 weight 1.000 ! spec=41_2, no=551, id=1406, vol=4.342189e+06
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name   HA) 2.156 0.581 0.581 weight 1.000 ! spec=41_2, no=553, id=1407, vol=1.131253e+07
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   19 and name   HA) 2.735 0.935 0.935 weight 1.000 ! spec=41_2, no=554, id=1408, vol=2.716000e+06
assign (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   19 and name   HA) 3.066 1.175 1.175 weight 1.000 ! spec=41_2, no=556, id=1410, vol=1.369036e+06
assign (segid "   A" and resid   30 and name  HG2) (segid "   A" and resid   30 and name  HD2) 2.589 0.838 0.838 weight 1.000 ! spec=41_2, no=568, id=1412, vol=3.780684e+06
assign (segid "   A" and resid   30 and name  HG1) (segid "   A" and resid   30 and name  HD1) 2.656 0.882 0.882 weight 1.000 ! spec=41_2, no=569, id=1413, vol=3.242217e+06
assign (segid "   A" and resid   30 and name  HG1) (segid "   A" and resid   30 and name  HG2) 1.941 0.471 0.471 weight 1.000 ! spec=41_2, no=573, id=1415, vol=2.127991e+07
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   33 and name   HA) 2.503 0.783 0.783 weight 1.000 ! spec=41_2, no=575, id=1417, vol=4.629777e+06
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   33 and name  HB1) 2.356 0.694 0.694 weight 1.000 ! spec=41_2, no=576, id=1418, vol=6.646142e+06
assign (segid "   A" and resid   38 and name  HG1) (segid "   A" and resid   38 and name   HA) 2.636 0.868 0.868 weight 1.000 ! spec=41_2, no=577, id=1419, vol=3.392509e+06
assign (segid "   A" and resid   38 and name  HG2) (segid "   A" and resid   38 and name   HA) 2.802 0.981 0.981 weight 1.000 ! spec=41_2, no=578, id=1420, vol=2.350854e+06
assign (segid "   A" and resid   39 and name  HG1) (segid "   A" and resid   39 and name  HG2) 1.659 0.344 0.344 weight 1.000 ! spec=41_2, no=583, id=1421, vol=5.464426e+07
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HG2) 2.231 0.622 0.622 weight 1.000 ! spec=41_2, no=589, id=1422, vol=9.218833e+06
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   11 and name  HE2) 3.013 1.135 1.135 weight 1.000 ! spec=41_2, no=591, id=1424, vol=1.519056e+06
    or (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   11 and name  HE1)
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   11 and name  HE2) 3.027 1.145 1.145 weight 1.000 ! spec=41_2, no=592, id=1425, vol=1.479361e+06
    or (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   11 and name  HE1)
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HB2) 2.501 0.782 0.782 weight 1.000 ! spec=41_2, no=594, id=1427, vol=4.647087e+06
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name  HG2) 2.519 0.793 0.793 weight 1.000 ! spec=41_2, no=597, id=1428, vol=4.449726e+06
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name  HB2) 1.725 0.372 0.372 weight 1.000 ! spec=41_2, no=601, id=1430, vol=4.313275e+07
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name   HA) 2.325 0.676 0.676 weight 1.000 ! spec=41_2, no=604, id=1432, vol=7.198627e+06
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HG2) 2.305 0.664 0.664 weight 1.000 ! spec=41_2, no=605, id=1433, vol=7.588552e+06
assign (segid "   A" and resid   20 and name   HB) (segid "   A" and resid   30 and name  HD2) 2.417 0.730 0.730 weight 1.000 ! spec=41_2, no=607, id=1435, vol=5.710915e+06
assign (segid "   A" and resid   20 and name   HB) (segid "   A" and resid   29 and name   HA) 2.910 1.058 1.058 weight 1.000 ! spec=41_2, no=608, id=1436, vol=1.873589e+06
assign (segid "   A" and resid   31 and name  HG2) (segid "   A" and resid   31 and name   HA) 2.278 0.649 0.649 weight 1.000 ! spec=41_2, no=613, id=1438, vol=8.138409e+06
assign (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    4 and name   HA) 1.949 0.475 0.475 weight 1.000 ! spec=41_2, no=614, id=1439, vol=2.073181e+07
    or (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name   HA)
    or (segid "   A" and resid    4 and name  HB3) (segid "   A" and resid    4 and name   HA)
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   28 and name   HB) 2.376 0.706 0.706 weight 1.000 ! spec=41_2, no=617, id=1440, vol=6.320132e+06
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name   HA) 2.366 0.700 0.700 weight 1.000 ! spec=41_2, no=627, id=1443, vol=6.491503e+06
    or (segid "   A" and resid    2 and name  HB3) (segid "   A" and resid    2 and name   HA)
    or (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    2 and name   HA)
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   27 and name  HD1) 3.033 1.150 1.150 weight 1.000 ! spec=41_2, no=630, id=1445, vol=1.461216e+06
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   27 and name  HD2)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HB2) 2.388 0.713 0.713 weight 1.000 ! spec=41_2, no=632, id=1446, vol=6.133873e+06
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HB1) 2.444 0.747 0.747 weight 1.000 ! spec=41_2, no=633, id=1447, vol=5.335947e+06
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HG1) 2.680 0.898 0.898 weight 1.000 ! spec=41_2, no=635, id=1448, vol=3.070421e+06
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name  HD2) 2.821 0.995 0.995 weight 1.000 ! spec=41_2, no=639, id=1450, vol=2.258969e+06
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name  HB1) 1.851 0.428 0.428 weight 1.000 ! spec=41_2, no=642, id=1453, vol=2.831004e+07
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   20 and name HG12) 2.793 0.975 0.975 weight 1.000 ! spec=41_2, no=643, id=1454, vol=2.395034e+06
assign (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   30 and name  HD2) 2.910 1.059 1.059 weight 1.000 ! spec=41_2, no=644, id=1455, vol=1.872119e+06
assign (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   12 and name   HA) 2.911 1.059 1.059 weight 1.000 ! spec=41_2, no=645, id=1456, vol=1.869339e+06
assign (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   21 and name HG22) 2.356 0.694 0.694 weight 1.000 ! spec=41_2, no=651, id=1460, vol=6.650910e+06
    or (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   20 and name HD11) 2.073 0.537 0.537 weight 1.000 ! spec=41_2, no=655, id=1463, vol=1.431656e+07
    or (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   20 and name HD13)
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   20 and name HD11)
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   20 and name HD13)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   20 and name HD11)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   20 and name HD13)
assign (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   18 and name HG22) 2.122 0.563 0.563 weight 1.000 ! spec=41_2, no=656, id=1464, vol=1.244865e+07
    or (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   18 and name HG23)
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   18 and name HG22)
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   18 and name HG23)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   18 and name HG22)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   30 and name  HD2) 2.533 0.802 0.802 weight 1.000 ! spec=41_2, no=660, id=1465, vol=4.306558e+06
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   30 and name  HD2)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   30 and name  HD2)
assign (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   30 and name  HD1) 2.973 1.105 1.105 weight 1.000 ! spec=41_2, no=661, id=1466, vol=1.647765e+06
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   30 and name  HD1)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   20 and name HG22) 1.983 0.492 0.492 weight 1.000 ! spec=41_2, no=662, id=1467, vol=1.869304e+07
    or (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   20 and name HG21)
    or (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   20 and name HG23)
assign (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   29 and name   HA) 2.519 0.793 0.793 weight 1.000 ! spec=41_2, no=665, id=1468, vol=4.448893e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   29 and name   HA)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   29 and name   HA)
assign (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name   HA) 2.239 0.627 0.627 weight 1.000 ! spec=41_2, no=666, id=1469, vol=9.026622e+06
    or (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   18 and name   HA)
    or (segid "   A" and resid   18 and name HG13) (segid "   A" and resid   18 and name   HA)
assign (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   30 and name  HD1) 2.500 0.781 0.781 weight 1.000 ! spec=41_2, no=669, id=1471, vol=4.658749e+06
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   30 and name  HD1)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   22 and name   HA) 2.271 0.645 0.645 weight 1.000 ! spec=41_2, no=670, id=1472, vol=8.285050e+06
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   20 and name HD11) 2.405 0.723 0.723 weight 1.000 ! spec=41_2, no=671, id=1473, vol=5.872247e+06
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   20 and name HD12)
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   20 and name HD13)
assign (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   29 and name   HA) 2.169 0.588 0.588 weight 1.000 ! spec=41_2, no=672, id=1474, vol=1.092978e+07
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   29 and name   HA)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   29 and name   HA)
assign (segid "   A" and resid   40 and name HD11) (segid "   A" and resid   40 and name   HG) 1.678 0.352 0.352 weight 1.000 ! spec=41_2, no=677, id=1478, vol=5.098499e+07
    or (segid "   A" and resid   40 and name HD12) (segid "   A" and resid   40 and name   HG)
    or (segid "   A" and resid   40 and name HD13) (segid "   A" and resid   40 and name   HG)
assign (segid "   A" and resid   28 and name HD12) (segid "   A" and resid   33 and name   HA) 2.275 0.647 0.647 weight 1.000 ! spec=41_2, no=680, id=1479, vol=8.210313e+06
    or (segid "   A" and resid   28 and name HD11) (segid "   A" and resid   33 and name   HA)
    or (segid "   A" and resid   28 and name HD13) (segid "   A" and resid   33 and name   HA)
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name HD21) 2.004 0.502 0.502 weight 1.000 ! spec=41_2, no=683, id=1480, vol=1.755011e+07
    or (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name HD23)
    or (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name HD22)
assign (segid "   A" and resid   28 and name HG21) (segid "   A" and resid   35 and name  HA2) 2.560 0.819 0.819 weight 1.000 ! spec=41_2, no=687, id=1482, vol=4.043735e+06
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   35 and name  HA2)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   35 and name  HA2)
assign (segid "   A" and resid   24 and name HD21) (segid "   A" and resid   24 and name   HA) 2.078 0.540 0.540 weight 1.000 ! spec=41_2, no=694, id=1483, vol=1.411499e+07
    or (segid "   A" and resid   24 and name HD22) (segid "   A" and resid   24 and name   HA)
    or (segid "   A" and resid   24 and name HD23) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   37 and name HD11) (segid "   A" and resid   29 and name  HB2) 3.277 1.342 1.342 weight 1.000 ! spec=41_2, no=704, id=1486, vol=9.193210e+05
    or (segid "   A" and resid   37 and name HD12) (segid "   A" and resid   29 and name  HB2)
    or (segid "   A" and resid   37 and name HD13) (segid "   A" and resid   29 and name  HB2)
assign (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   25 and name  HB2) 2.725 0.928 0.928 weight 1.000 ! spec=41_2, no=709, id=1488, vol=2.778407e+06
assign (segid "   A" and resid   28 and name HD12) (segid "   A" and resid   26 and name  HB1) 2.359 0.695 0.695 weight 1.000 ! spec=41_2, no=731, id=1490, vol=6.605212e+06
    or (segid "   A" and resid   28 and name HD11) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   28 and name HD13) (segid "   A" and resid   26 and name  HB1)
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   24 and name HD21) 2.961 1.096 1.096 weight 1.000 ! spec=41_2, no=734, id=1491, vol=1.689598e+06
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   28 and name HG12) 3.205 1.284 1.284 weight 1.000 ! spec=41_2, no=735, id=1492, vol=1.049661e+06

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY  -1           H1       GLY  -1 -16.831   2.800   5.284
    2    H2   GLY  -1           H2       GLY  -1 -17.112   2.551   3.638
    3    H3   GLY  -1           H3       GLY  -1 -17.654   3.969   4.382
    4    HA2  GLY  -1           HA3      GLY  -1 -15.701   4.458   3.106
    5    HA3  GLY  -1           HA2      GLY  -1 -15.360   4.626   4.822
    6    H    SER   0           H        SER   0 -13.184   4.186   4.755
    7    HA   SER   0           HA       SER   0 -12.384   1.630   3.551
    8    HB2  SER   0           HB2      SER   0 -10.680   4.016   4.299
    9    HB3  SER   0           HB3      SER   0 -10.123   2.562   3.470
   10    HG   SER   0           HG       SER   0 -11.454   3.085   1.725
   11    H    MET   1           H        MET   1 -13.364   2.628   6.435
   12    HA   MET   1           HA       MET   1 -11.285   1.447   8.063
   13    HB2  MET   1           HB2      MET   1 -14.041   2.474   8.743
   14    HB3  MET   1           HB3      MET   1 -12.963   1.752   9.925
   15    HG2  MET   1           HG2      MET   1 -11.311   3.504   9.478
   16    HG3  MET   1           HG3      MET   1 -12.417   4.236   8.317
   17    HE1  MET   1           HE1      MET   1 -11.041   5.680  10.923
   18    HE2  MET   1           HE2      MET   1 -12.398   6.695  11.415
   19    HE3  MET   1           HE3      MET   1 -12.008   6.513   9.705
   20    H    ALA   2           H        ALA   2 -11.326  -0.524   9.018
   21    HA   ALA   2           HA       ALA   2 -11.760  -2.727   9.298
   22    HB1  ALA   2           HB1      ALA   2 -14.066  -3.544   9.260
   23    HB2  ALA   2           HB2      ALA   2 -14.600  -2.016   8.558
   24    HB3  ALA   2           HB3      ALA   2 -13.931  -2.051  10.190
   25    H    GLU   3           H        GLU   3 -10.876  -1.568   6.858
   26    HA   GLU   3           HA       GLU   3 -10.230  -2.198   4.799
   27    HB2  GLU   3           HB2      GLU   3 -10.262  -4.526   5.948
   28    HB3  GLU   3           HB3      GLU   3 -11.747  -4.784   5.048
   29    HG2  GLU   3           HG2      GLU   3 -10.018  -5.754   3.780
   30    HG3  GLU   3           HG3      GLU   3 -10.451  -4.255   2.960
   31    H    ALA   4           H        ALA   4 -13.318  -3.952   4.820
   32    HA   ALA   4           HA       ALA   4 -15.211  -3.759   3.598
   33    HB1  ALA   4           HB1      ALA   4 -15.405  -1.611   4.753
   34    HB2  ALA   4           HB2      ALA   4 -16.082  -1.541   3.126
   35    HB3  ALA   4           HB3      ALA   4 -14.502  -0.833   3.453
   36    H    SER   5           H        SER   5 -16.010  -2.450   1.378
   37    HA   SER   5           HA       SER   5 -14.455  -3.741  -0.625
   38    HB2  SER   5           HB2      SER   5 -16.930  -3.541  -0.726
   39    HB3  SER   5           HB3      SER   5 -16.752  -1.814  -1.014
   40    HG   SER   5           HG       SER   5 -15.521  -3.760  -2.665
   41    HA   PRO   6           HA       PRO   6 -13.055   0.646  -1.944
   42    HB2  PRO   6           HB2      PRO   6 -13.645   2.794  -0.435
   43    HB3  PRO   6           HB3      PRO   6 -14.741   2.205  -1.691
   44    HG2  PRO   6           HG2      PRO   6 -14.847   1.786   1.268
   45    HG3  PRO   6           HG3      PRO   6 -16.167   2.140   0.138
   46    HD2  PRO   6           HD2      PRO   6 -15.602  -0.365   1.074
   47    HD3  PRO   6           HD3      PRO   6 -16.384  -0.048  -0.483
   48    H    HIS   7           H        HIS   7 -11.908  -1.178  -0.301
   49    HA   HIS   7           HA       HIS   7 -10.776  -0.174   2.085
   50    HB2  HIS   7           HB2      HIS   7  -9.563  -2.230   2.158
   51    HB3  HIS   7           HB3      HIS   7 -11.134  -2.591   1.485
   52    HD1  HIS   7           HD1      HIS   7  -7.991  -3.785   1.122
   53    HD2  HIS   7           HD2      HIS   7 -10.647  -2.202  -1.658
   54    HE1  HIS   7           HE1      HIS   7  -7.264  -4.701  -1.112
   55    HE2  HIS   7           HE2      HIS   7  -8.782  -3.592  -2.791
   56    HA   PRO   8           HA       PRO   8  -7.245   2.090   0.779
   57    HB2  PRO   8           HB2      PRO   8  -5.295   1.172   2.470
   58    HB3  PRO   8           HB3      PRO   8  -6.524   2.349   2.926
   59    HG2  PRO   8           HG2      PRO   8  -6.371  -0.566   3.477
   60    HG3  PRO   8           HG3      PRO   8  -6.981   0.743   4.504
   61    HD2  PRO   8           HD2      PRO   8  -8.580  -0.953   3.136
   62    HD3  PRO   8           HD3      PRO   8  -9.043   0.707   3.524
   63    H    GLY   9           H        GLY   9  -5.036   1.933  -0.085
   64    HA2  GLY   9           HA2      GLY   9  -3.876  -0.570  -0.769
   65    HA3  GLY   9           HA3      GLY   9  -4.832   0.044  -2.112
   66    H    ARG  10           H        ARG  10  -4.366   2.801  -1.609
   67    HA   ARG  10           HA       ARG  10  -1.878   3.200  -2.885
   68    HB2  ARG  10           HB2      ARG  10  -2.285   5.615  -2.389
   69    HB3  ARG  10           HB3      ARG  10  -3.629   4.819  -3.196
   70    HG2  ARG  10           HG2      ARG  10  -4.910   4.754  -1.224
   71    HG3  ARG  10           HG3      ARG  10  -3.528   5.168  -0.216
   72    HD2  ARG  10           HD2      ARG  10  -4.311   7.262  -0.324
   73    HD3  ARG  10           HD3      ARG  10  -3.657   7.274  -1.960
   74    HE   ARG  10           HE       ARG  10  -5.825   6.891  -2.810
   75   HH11  ARG  10          HH11      ARG  10  -5.738   7.276   0.674
   76   HH12  ARG  10          HH12      ARG  10  -7.442   7.599   0.803
   77   HH21  ARG  10          HH21      ARG  10  -8.071   7.310  -2.635
   78   HH22  ARG  10          HH22      ARG  10  -8.767   7.615  -1.074
   79    H    TYR  11           H        TYR  11  -0.055   2.637  -1.882
   80    HA   TYR  11           HA       TYR  11   0.361   3.641   0.854
   81    HB2  TYR  11           HB2      TYR  11   1.310   1.156  -0.513
   82    HB3  TYR  11           HB3      TYR  11   2.313   1.884   0.733
   83    HD1  TYR  11           HD2      TYR  11  -1.251   0.845   0.208
   84    HD2  TYR  11           HD1      TYR  11   2.038   1.193   2.881
   85    HE1  TYR  11           HE2      TYR  11  -2.559  -0.293   1.960
   86    HE2  TYR  11           HE1      TYR  11   0.761   0.062   4.631
   87    HH   TYR  11           HH       TYR  11  -2.181  -1.574   3.991
   88    H    PHE  12           H        PHE  12   2.585   4.266   1.346
   89    HA   PHE  12           HA       PHE  12   4.045   5.185  -1.027
   90    HB2  PHE  12           HB2      PHE  12   2.710   6.958   0.275
   91    HB3  PHE  12           HB3      PHE  12   3.941   6.775   1.522
   92    HD1  PHE  12           HD2      PHE  12   3.250   7.825  -1.900
   93    HD2  PHE  12           HD1      PHE  12   6.151   7.620   1.198
   94    HE1  PHE  12           HE2      PHE  12   4.685   9.390  -3.150
   95    HE2  PHE  12           HE1      PHE  12   7.604   9.178  -0.049
   96    HZ   PHE  12           HZ       PHE  12   6.863  10.069  -2.221
   97    H    CYS  13           H        CYS  13   5.870   4.096  -1.086
   98    HA   CYS  13           HA       CYS  13   6.956   2.849   1.260
   99    HB2  CYS  13           HB2      CYS  13   7.134   1.604  -0.757
  100    HB3  CYS  13           HB3      CYS  13   7.846   2.959  -1.616
  101    H    HIS  14           H        HIS  14   8.563   3.512   2.510
  102    HA   HIS  14           HA       HIS  14   9.557   6.190   2.238
  103    HB2  HIS  14           HB2      HIS  14   9.834   3.992   4.231
  104    HB3  HIS  14           HB3      HIS  14  11.047   5.271   4.242
  105    HD1  HIS  14           HD1      HIS  14  10.388   6.549   6.292
  106    HD2  HIS  14           HD2      HIS  14   7.174   5.827   3.761
  107    HE1  HIS  14           HE1      HIS  14   8.473   7.881   7.232
  108    HE2  HIS  14           HE2      HIS  14   6.611   7.600   5.556
  109    H    CYS  15           H        CYS  15  10.737   3.009   1.494
  110    HA   CYS  15           HA       CYS  15  13.482   3.764   1.236
  111    HB2  CYS  15           HB2      CYS  15  12.711   1.439   1.699
  112    HB3  CYS  15           HB3      CYS  15  12.056   1.365   0.071
  113    HG   CYS  15           HG       CYS  15  15.094   2.261  -0.382
  114    H    CYS  16           H        CYS  16  10.816   3.225  -1.032
  115    HA   CYS  16           HA       CYS  16  12.481   3.994  -3.287
  116    HB2  CYS  16           HB2      CYS  16   9.554   3.247  -3.173
  117    HB3  CYS  16           HB3      CYS  16  10.469   3.535  -4.642
  118    H    SER  17           H        SER  17  10.421   5.436  -1.065
  119    HA   SER  17           HA       SER  17   9.234   7.325  -0.855
  120    HB2  SER  17           HB2      SER  17  10.352   9.404  -1.701
  121    HB3  SER  17           HB3      SER  17  11.377   8.360  -0.721
  122    HG   SER  17           HG       SER  17  11.551   7.722  -3.355
  123    H    VAL  18           H        VAL  18   8.154   5.696  -2.729
  124    HA   VAL  18           HA       VAL  18   6.821   7.632  -4.481
  125    HB   VAL  18           HB       VAL  18   6.686   6.040  -6.313
  126   HG11  VAL  18          HG11      VAL  18   9.535   6.406  -5.412
  127   HG12  VAL  18          HG12      VAL  18   8.574   7.564  -6.334
  128   HG13  VAL  18          HG13      VAL  18   9.014   6.013  -7.050
  129   HG21  VAL  18          HG21      VAL  18   7.978   3.951  -6.291
  130   HG22  VAL  18          HG22      VAL  18   6.715   3.973  -5.061
  131   HG23  VAL  18          HG23      VAL  18   8.395   4.245  -4.603
  132    H    GLU  19           H        GLU  19   4.738   6.744  -5.296
  133    HA   GLU  19           HA       GLU  19   3.323   5.490  -3.095
  134    HB2  GLU  19           HB2      GLU  19   2.520   7.447  -4.645
  135    HB3  GLU  19           HB3      GLU  19   2.049   6.148  -5.729
  136    HG2  GLU  19           HG2      GLU  19   0.981   5.260  -3.440
  137    HG3  GLU  19           HG3      GLU  19   0.901   6.992  -3.158
  138    H    ILE  20           H        ILE  20   2.580   3.442  -3.058
  139    HA   ILE  20           HA       ILE  20   3.051   1.718  -5.402
  140    HB   ILE  20           HB       ILE  20   4.016  -0.012  -3.907
  141   HG12  ILE  20          HG12      ILE  20   4.771   1.848  -1.797
  142   HG13  ILE  20          HG13      ILE  20   3.033   1.598  -1.885
  143   HG21  ILE  20          HG21      ILE  20   6.234   0.996  -3.668
  144   HG22  ILE  20          HG22      ILE  20   5.533   2.591  -3.942
  145   HG23  ILE  20          HG23      ILE  20   5.504   1.381  -5.225
  146   HD11  ILE  20          HD11      ILE  20   3.998   0.049  -0.336
  147   HD12  ILE  20          HD12      ILE  20   5.142  -0.517  -1.553
  148   HD13  ILE  20          HD13      ILE  20   3.416  -0.831  -1.749
  149    H    VAL  21           H        VAL  21   2.077  -0.404  -5.159
  150    HA   VAL  21           HA       VAL  21  -0.108  -0.532  -3.195
  151    HB   VAL  21           HB       VAL  21  -1.114  -0.509  -5.357
  152   HG11  VAL  21          HG11      VAL  21   0.901  -0.974  -6.664
  153   HG12  VAL  21          HG12      VAL  21  -0.458  -1.977  -7.181
  154   HG13  VAL  21          HG13      VAL  21   0.820  -2.669  -6.180
  155   HG21  VAL  21          HG21      VAL  21  -2.050  -2.166  -3.844
  156   HG22  VAL  21          HG22      VAL  21  -0.907  -3.373  -4.430
  157   HG23  VAL  21          HG23      VAL  21  -2.143  -2.732  -5.511
  158    HA   PRO  22           HA       PRO  22   2.875  -3.418  -1.558
  159    HB2  PRO  22           HB2      PRO  22   0.780  -4.007   0.422
  160    HB3  PRO  22           HB3      PRO  22   2.400  -3.372   0.664
  161    HG2  PRO  22           HG2      PRO  22   0.236  -1.842   0.972
  162    HG3  PRO  22           HG3      PRO  22   1.750  -1.196   0.305
  163    HD2  PRO  22           HD2      PRO  22  -0.752  -2.008  -1.121
  164    HD3  PRO  22           HD3      PRO  22   0.306  -0.610  -1.407
  165    H    ARG  23           H        ARG  23   3.230  -5.589  -1.590
  166    HA   ARG  23           HA       ARG  23   1.273  -7.385  -2.659
  167    HB2  ARG  23           HB2      ARG  23   3.877  -7.922  -1.205
  168    HB3  ARG  23           HB3      ARG  23   2.917  -9.144  -2.019
  169    HG2  ARG  23           HG2      ARG  23   3.297  -8.027  -4.153
  170    HG3  ARG  23           HG3      ARG  23   4.256  -6.791  -3.333
  171    HD2  ARG  23           HD2      ARG  23   5.786  -8.561  -2.550
  172    HD3  ARG  23           HD3      ARG  23   4.858  -9.742  -3.471
  173    HE   ARG  23           HE       ARG  23   5.514  -7.957  -5.360
  174   HH11  ARG  23          HH11      ARG  23   7.403  -9.605  -2.916
  175   HH12  ARG  23          HH12      ARG  23   8.885  -9.547  -3.824
  176   HH21  ARG  23          HH21      ARG  23   7.444  -7.919  -6.588
  177   HH22  ARG  23          HH22      ARG  23   8.894  -8.604  -5.927
  178    H    LEU  24           H        LEU  24  -0.508  -7.669  -1.438
  179    HA   LEU  24           HA       LEU  24  -0.671  -6.995   1.242
  180    HB2  LEU  24           HB2      LEU  24  -2.428  -7.716  -0.788
  181    HB3  LEU  24           HB3      LEU  24  -2.744  -8.829   0.525
  182    HG   LEU  24           HG       LEU  24  -4.142  -6.765   0.559
  183   HD11  LEU  24          HD11      LEU  24  -3.832  -8.075   2.572
  184   HD12  LEU  24          HD12      LEU  24  -3.874  -6.355   2.960
  185   HD13  LEU  24          HD13      LEU  24  -2.334  -7.213   2.920
  186   HD21  LEU  24          HD21      LEU  24  -2.344  -5.241  -0.226
  187   HD22  LEU  24          HD22      LEU  24  -1.581  -5.392   1.358
  188   HD23  LEU  24          HD23      LEU  24  -3.182  -4.671   1.214
  189    HA   PRO  25           HA       PRO  25  -0.576 -11.837   2.265
  190    HB2  PRO  25           HB2      PRO  25   1.505 -12.438   0.217
  191    HB3  PRO  25           HB3      PRO  25   0.235 -13.483   0.861
  192    HG2  PRO  25           HG2      PRO  25  -0.028 -12.441  -1.542
  193    HG3  PRO  25           HG3      PRO  25  -1.417 -12.455  -0.436
  194    HD2  PRO  25           HD2      PRO  25   0.413 -10.197  -1.150
  195    HD3  PRO  25           HD3      PRO  25  -1.345 -10.198  -0.935
  196    H    ASP  26           H        ASP  26   2.000  -9.690   1.272
  197    HA   ASP  26           HA       ASP  26   3.703 -10.740   3.443
  198    HB2  ASP  26           HB2      ASP  26   4.499  -9.339   0.888
  199    HB3  ASP  26           HB3      ASP  26   5.618  -9.741   2.182
  200    H    TYR  27           H        TYR  27   2.030  -8.041   2.223
  201    HA   TYR  27           HA       TYR  27   1.852  -5.858   2.714
  202    HB2  TYR  27           HB2      TYR  27   2.432  -7.112   5.317
  203    HB3  TYR  27           HB3      TYR  27   2.702  -5.373   5.239
  204    HD1  TYR  27           HD1      TYR  27   0.625  -4.298   3.627
  205    HD2  TYR  27           HD2      TYR  27   0.416  -7.569   6.344
  206    HE1  TYR  27           HE1      TYR  27  -1.776  -3.884   3.927
  207    HE2  TYR  27           HE2      TYR  27  -1.991  -7.167   6.648
  208    HH   TYR  27           HH       TYR  27  -3.779  -5.071   4.625
  209    H    ILE  28           H        ILE  28   4.162  -6.538   1.336
  210    HA   ILE  28           HA       ILE  28   6.103  -4.622   2.437
  211    HB   ILE  28           HB       ILE  28   7.784  -5.725   0.968
  212   HG12  ILE  28          HG12      ILE  28   5.622  -7.812   0.644
  213   HG13  ILE  28          HG13      ILE  28   6.226  -6.755  -0.624
  214   HG21  ILE  28          HG21      ILE  28   8.136  -7.659   2.417
  215   HG22  ILE  28          HG22      ILE  28   6.497  -7.487   3.042
  216   HG23  ILE  28          HG23      ILE  28   7.691  -6.223   3.336
  217   HD11  ILE  28          HD11      ILE  28   7.806  -8.869   0.821
  218   HD12  ILE  28          HD12      ILE  28   8.422  -7.804  -0.442
  219   HD13  ILE  28          HD13      ILE  28   7.163  -8.978  -0.818
  220    H    CYS  29           H        CYS  29   7.618  -4.120   0.348
  221    HA   CYS  29           HA       CYS  29   5.949  -2.465  -1.361
  222    HB2  CYS  29           HB2      CYS  29   7.994  -1.591  -0.252
  223    HB3  CYS  29           HB3      CYS  29   8.952  -2.759  -1.133
  224    HA   PRO  30           HA       PRO  30   6.342  -5.414  -4.677
  225    HB2  PRO  30           HB2      PRO  30   5.358  -3.948  -6.693
  226    HB3  PRO  30           HB3      PRO  30   4.321  -4.497  -5.372
  227    HG2  PRO  30           HG2      PRO  30   5.546  -1.811  -5.827
  228    HG3  PRO  30           HG3      PRO  30   3.922  -2.215  -5.248
  229    HD2  PRO  30           HD2      PRO  30   6.031  -1.487  -3.629
  230    HD3  PRO  30           HD3      PRO  30   4.627  -2.433  -3.086
  231    H    ARG  31           H        ARG  31   8.035  -2.502  -4.388
  232    HA   ARG  31           HA       ARG  31   9.635  -2.984  -6.780
  233    HB2  ARG  31           HB2      ARG  31  10.067  -0.636  -5.006
  234    HB3  ARG  31           HB3      ARG  31  10.203  -0.758  -6.750
  235    HG2  ARG  31           HG2      ARG  31   7.597  -1.135  -6.542
  236    HG3  ARG  31           HG3      ARG  31   7.841  -0.235  -5.054
  237    HD2  ARG  31           HD2      ARG  31   7.288   1.286  -6.822
  238    HD3  ARG  31           HD3      ARG  31   8.960   1.530  -6.338
  239    HE   ARG  31           HE       ARG  31   8.779  -0.288  -8.518
  240   HH11  ARG  31          HH11      ARG  31   8.658   3.112  -7.721
  241   HH12  ARG  31          HH12      ARG  31   9.149   3.634  -9.294
  242   HH21  ARG  31          HH21      ARG  31   9.448   0.390 -10.592
  243   HH22  ARG  31          HH22      ARG  31   9.614   2.084 -10.929
  244    H    CYS  32           H        CYS  32  10.088  -2.413  -3.251
  245    HA   CYS  32           HA       CYS  32  12.807  -3.466  -3.647
  246    HB2  CYS  32           HB2      CYS  32  13.615  -2.080  -1.841
  247    HB3  CYS  32           HB3      CYS  32  12.799  -1.081  -3.033
  248    H    GLU  33           H        GLU  33   9.868  -4.091  -2.180
  249    HA   GLU  33           HA       GLU  33   9.122  -5.737  -0.801
  250    HB2  GLU  33           HB2      GLU  33  11.857  -6.930  -1.290
  251    HB3  GLU  33           HB3      GLU  33  10.435  -7.791  -0.719
  252    HG2  GLU  33           HG2      GLU  33   9.326  -7.509  -2.801
  253    HG3  GLU  33           HG3      GLU  33  10.556  -6.383  -3.371
  254    H    SER  34           H        SER  34  10.176  -3.496   0.473
  255    HA   SER  34           HA       SER  34  11.946  -4.415   2.581
  256    HB2  SER  34           HB2      SER  34  12.558  -2.324   1.596
  257    HB3  SER  34           HB3      SER  34  10.929  -1.684   1.791
  258    HG   SER  34           HG       SER  34  12.525  -2.479   3.996
  259    H    GLY  35           H        GLY  35   8.856  -2.612   2.452
  260    HA2  GLY  35           HA2      GLY  35   7.023  -3.494   3.856
  261    HA3  GLY  35           HA3      GLY  35   8.245  -3.734   5.091
  262    H    PHE  36           H        PHE  36   9.568  -1.200   4.366
  263    HA   PHE  36           HA       PHE  36   8.220   0.601   6.071
  264    HB2  PHE  36           HB2      PHE  36  10.511   0.867   4.147
  265    HB3  PHE  36           HB3      PHE  36   9.861   2.274   4.976
  266    HD1  PHE  36           HD1      PHE  36  11.467  -1.009   5.495
  267    HD2  PHE  36           HD2      PHE  36  10.390   2.731   7.188
  268    HE1  PHE  36           HE1      PHE  36  12.872  -1.499   7.454
  269    HE2  PHE  36           HE2      PHE  36  11.790   2.254   9.158
  270    HZ   PHE  36           HZ       PHE  36  13.035   0.132   9.290
  271    H    ILE  37           H        ILE  37   6.081   0.769   5.229
  272    HA   ILE  37           HA       ILE  37   5.867   2.617   2.969
  273    HB   ILE  37           HB       ILE  37   3.911   1.375   2.108
  274   HG12  ILE  37          HG12      ILE  37   4.742  -0.635   4.199
  275   HG13  ILE  37          HG13      ILE  37   3.174   0.110   3.988
  276   HG21  ILE  37          HG21      ILE  37   5.970   1.115   0.965
  277   HG22  ILE  37          HG22      ILE  37   5.238  -0.488   1.087
  278   HG23  ILE  37          HG23      ILE  37   6.562  -0.038   2.164
  279   HD11  ILE  37          HD11      ILE  37   3.189  -2.230   3.290
  280   HD12  ILE  37          HD12      ILE  37   4.426  -1.861   2.090
  281   HD13  ILE  37          HD13      ILE  37   2.820  -1.148   1.949
  282    H    GLU  38           H        GLU  38   3.961   3.864   2.933
  283    HA   GLU  38           HA       GLU  38   2.626   4.026   5.547
  284    HB2  GLU  38           HB2      GLU  38   3.363   6.159   3.567
  285    HB3  GLU  38           HB3      GLU  38   2.174   6.434   4.834
  286    HG2  GLU  38           HG2      GLU  38   3.958   5.745   6.476
  287    HG3  GLU  38           HG3      GLU  38   5.096   5.822   5.132
  288    H    GLU  39           H        GLU  39   0.526   3.675   5.602
  289    HA   GLU  39           HA       GLU  39  -0.960   3.278   3.164
  290    HB2  GLU  39           HB2      GLU  39  -1.174   1.884   5.271
  291    HB3  GLU  39           HB3      GLU  39  -1.969   3.256   6.015
  292    HG2  GLU  39           HG2      GLU  39  -3.007   2.058   3.479
  293    HG3  GLU  39           HG3      GLU  39  -3.401   1.365   5.049
  294    H    LEU  40           H        LEU  40  -1.686   4.967   2.083
  295    HA   LEU  40           HA       LEU  40  -1.750   7.565   3.309
  296    HB2  LEU  40           HB2      LEU  40  -2.398   6.715   0.500
  297    HB3  LEU  40           HB3      LEU  40  -2.202   8.369   1.037
  298    HG   LEU  40           HG       LEU  40  -0.022   6.277   1.064
  299   HD11  LEU  40          HD11      LEU  40  -0.627   6.832  -1.201
  300   HD12  LEU  40          HD12      LEU  40   0.931   7.552  -0.792
  301   HD13  LEU  40          HD13      LEU  40  -0.519   8.555  -0.835
  302   HD21  LEU  40          HD21      LEU  40   1.453   8.198   1.484
  303   HD22  LEU  40          HD22      LEU  40   0.292   7.952   2.787
  304   HD23  LEU  40          HD23      LEU  40   0.037   9.241   1.612
  Start of MODEL    2
    1    H1   GLY  -1           H1       GLY  -1 -22.240   2.277  -5.439
    2    H2   GLY  -1           H2       GLY  -1 -21.241   3.635  -5.298
    3    H3   GLY  -1           H3       GLY  -1 -21.076   2.347  -4.216
    4    HA2  GLY  -1           HA3      GLY  -1 -20.510   2.246  -7.125
    5    HA3  GLY  -1           HA2      GLY  -1 -19.301   2.318  -5.849
    6    H    SER   0           H        SER   0 -18.334   0.388  -5.772
    7    HA   SER   0           HA       SER   0 -20.056  -1.951  -5.427
    8    HB2  SER   0           HB2      SER   0 -18.379  -3.257  -6.836
    9    HB3  SER   0           HB3      SER   0 -19.448  -2.162  -7.709
   10    HG   SER   0           HG       SER   0 -17.129  -0.964  -6.884
   11    H    MET   1           H        MET   1 -19.545  -1.574  -3.204
   12    HA   MET   1           HA       MET   1 -18.530  -2.172  -1.270
   13    HB2  MET   1           HB2      MET   1 -16.930  -3.988  -3.081
   14    HB3  MET   1           HB3      MET   1 -16.956  -4.087  -1.325
   15    HG2  MET   1           HG2      MET   1 -19.307  -4.634  -1.355
   16    HG3  MET   1           HG3      MET   1 -19.359  -4.422  -3.103
   17    HE1  MET   1           HE1      MET   1 -20.493  -6.806  -3.366
   18    HE2  MET   1           HE2      MET   1 -20.449  -7.011  -1.616
   19    HE3  MET   1           HE3      MET   1 -19.832  -8.284  -2.670
   20    H    ALA   2           H        ALA   2 -17.584   0.179  -2.412
   21    HA   ALA   2           HA       ALA   2 -14.679   0.102  -2.038
   22    HB1  ALA   2           HB1      ALA   2 -16.448   2.318  -3.074
   23    HB2  ALA   2           HB2      ALA   2 -15.469   1.227  -4.053
   24    HB3  ALA   2           HB3      ALA   2 -14.689   2.372  -2.963
   25    H    GLU   3           H        GLU   3 -17.651   1.361  -0.745
   26    HA   GLU   3           HA       GLU   3 -16.204   2.629   1.423
   27    HB2  GLU   3           HB2      GLU   3 -18.740   3.184   2.065
   28    HB3  GLU   3           HB3      GLU   3 -17.808   4.168   0.953
   29    HG2  GLU   3           HG2      GLU   3 -20.056   3.739   0.139
   30    HG3  GLU   3           HG3      GLU   3 -18.831   3.078  -0.937
   31    H    ALA   4           H        ALA   4 -18.351  -0.014   0.711
   32    HA   ALA   4           HA       ALA   4 -18.822  -0.830   3.385
   33    HB1  ALA   4           HB1      ALA   4 -19.602  -2.920   2.410
   34    HB2  ALA   4           HB2      ALA   4 -18.887  -2.480   0.859
   35    HB3  ALA   4           HB3      ALA   4 -20.235  -1.544   1.505
   36    H    SER   5           H        SER   5 -17.277  -1.398   4.734
   37    HA   SER   5           HA       SER   5 -15.379  -2.252   5.619
   38    HB2  SER   5           HB2      SER   5 -15.452  -4.135   3.250
   39    HB3  SER   5           HB3      SER   5 -14.512  -4.360   4.726
   40    HG   SER   5           HG       SER   5 -16.700  -4.154   5.784
   41    HA   PRO   6           HA       PRO   6 -12.924   0.612   2.938
   42    HB2  PRO   6           HB2      PRO   6 -11.701   0.908   5.643
   43    HB3  PRO   6           HB3      PRO   6 -12.123   2.149   4.457
   44    HG2  PRO   6           HG2      PRO   6 -13.639   1.777   6.601
   45    HG3  PRO   6           HG3      PRO   6 -14.377   2.112   5.023
   46    HD2  PRO   6           HD2      PRO   6 -14.157  -0.474   6.506
   47    HD3  PRO   6           HD3      PRO   6 -15.484   0.141   5.502
   48    H    HIS   7           H        HIS   7 -10.945   0.247   2.067
   49    HA   HIS   7           HA       HIS   7  -9.245  -1.797   3.257
   50    HB2  HIS   7           HB2      HIS   7  -9.075  -2.908   0.969
   51    HB3  HIS   7           HB3      HIS   7 -10.549  -3.191   1.871
   52    HD1  HIS   7           HD1      HIS   7 -12.726  -2.491   0.810
   53    HD2  HIS   7           HD2      HIS   7  -9.398  -1.144  -1.294
   54    HE1  HIS   7           HE1      HIS   7 -13.614  -1.581  -1.358
   55    HE2  HIS   7           HE2      HIS   7 -11.595  -0.742  -2.604
   56    HA   PRO   8           HA       PRO   8  -6.290   1.078   1.708
   57    HB2  PRO   8           HB2      PRO   8  -4.086  -0.118   2.667
   58    HB3  PRO   8           HB3      PRO   8  -5.248   0.683   3.724
   59    HG2  PRO   8           HG2      PRO   8  -4.790  -2.209   3.253
   60    HG3  PRO   8           HG3      PRO   8  -5.345  -1.380   4.714
   61    HD2  PRO   8           HD2      PRO   8  -6.939  -2.736   2.838
   62    HD3  PRO   8           HD3      PRO   8  -7.508  -1.674   4.136
   63    H    GLY   9           H        GLY   9  -4.466   1.191   0.260
   64    HA2  GLY   9           HA2      GLY   9  -3.511  -1.087  -1.154
   65    HA3  GLY   9           HA3      GLY   9  -4.752  -0.258  -2.088
   66    H    ARG  10           H        ARG  10  -4.162   2.342  -1.146
   67    HA   ARG  10           HA       ARG  10  -1.814   2.954  -2.696
   68    HB2  ARG  10           HB2      ARG  10  -2.427   5.320  -2.130
   69    HB3  ARG  10           HB3      ARG  10  -3.678   4.420  -2.973
   70    HG2  ARG  10           HG2      ARG  10  -4.963   4.173  -1.021
   71    HG3  ARG  10           HG3      ARG  10  -3.641   4.705   0.014
   72    HD2  ARG  10           HD2      ARG  10  -4.656   6.704  -0.072
   73    HD3  ARG  10           HD3      ARG  10  -3.936   6.821  -1.673
   74    HE   ARG  10           HE       ARG  10  -6.495   5.509  -1.650
   75   HH11  ARG  10          HH11      ARG  10  -4.848   8.590  -1.862
   76   HH12  ARG  10          HH12      ARG  10  -6.162   9.381  -2.671
   77   HH21  ARG  10          HH21      ARG  10  -8.232   6.556  -2.699
   78   HH22  ARG  10          HH22      ARG  10  -8.084   8.223  -3.155
   79    H    TYR  11           H        TYR  11   0.065   2.593  -1.769
   80    HA   TYR  11           HA       TYR  11   0.455   3.549   0.989
   81    HB2  TYR  11           HB2      TYR  11   1.469   1.110  -0.406
   82    HB3  TYR  11           HB3      TYR  11   2.464   1.863   0.831
   83    HD1  TYR  11           HD2      TYR  11  -1.031   0.619   0.321
   84    HD2  TYR  11           HD1      TYR  11   2.212   1.223   3.004
   85    HE1  TYR  11           HE2      TYR  11  -2.258  -0.587   2.082
   86    HE2  TYR  11           HE1      TYR  11   1.010   0.025   4.761
   87    HH   TYR  11           HH       TYR  11  -1.246  -0.595   5.363
   88    H    PHE  12           H        PHE  12   2.610   4.321   1.461
   89    HA   PHE  12           HA       PHE  12   4.059   5.204  -0.938
   90    HB2  PHE  12           HB2      PHE  12   2.804   7.004   0.367
   91    HB3  PHE  12           HB3      PHE  12   3.996   6.758   1.641
   92    HD1  PHE  12           HD2      PHE  12   3.396   7.949  -1.738
   93    HD2  PHE  12           HD1      PHE  12   6.285   7.457   1.343
   94    HE1  PHE  12           HE2      PHE  12   4.925   9.459  -2.937
   95    HE2  PHE  12           HE1      PHE  12   7.831   8.965   0.143
   96    HZ   PHE  12           HZ       PHE  12   7.141   9.971  -1.996
   97    H    CYS  13           H        CYS  13   5.868   4.092  -1.055
   98    HA   CYS  13           HA       CYS  13   7.015   2.832   1.250
   99    HB2  CYS  13           HB2      CYS  13   7.144   1.660  -0.848
  100    HB3  CYS  13           HB3      CYS  13   7.942   3.025  -1.617
  101    H    HIS  14           H        HIS  14   8.655   3.488   2.483
  102    HA   HIS  14           HA       HIS  14   9.729   6.148   2.050
  103    HB2  HIS  14           HB2      HIS  14   9.665   4.210   4.305
  104    HB3  HIS  14           HB3      HIS  14  11.009   5.351   4.261
  105    HD1  HIS  14           HD1      HIS  14  10.385   6.999   6.022
  106    HD2  HIS  14           HD2      HIS  14   7.241   6.188   3.429
  107    HE1  HIS  14           HE1      HIS  14   8.571   8.629   6.628
  108    HE2  HIS  14           HE2      HIS  14   6.625   8.032   5.135
  109    H    CYS  15           H        CYS  15  10.593   2.956   1.370
  110    HA   CYS  15           HA       CYS  15  13.447   3.433   1.302
  111    HB2  CYS  15           HB2      CYS  15  11.777   1.068   0.428
  112    HB3  CYS  15           HB3      CYS  15  13.532   1.093   0.456
  113    HG   CYS  15           HG       CYS  15  13.570   1.595   3.292
  114    H    CYS  16           H        CYS  16  10.743   3.430  -0.890
  115    HA   CYS  16           HA       CYS  16  12.562   3.916  -3.157
  116    HB2  CYS  16           HB2      CYS  16   9.628   3.186  -3.167
  117    HB3  CYS  16           HB3      CYS  16  10.601   3.487  -4.595
  118    H    SER  17           H        SER  17  10.525   5.409  -0.996
  119    HA   SER  17           HA       SER  17   9.382   7.329  -0.795
  120    HB2  SER  17           HB2      SER  17  10.478   9.360  -1.660
  121    HB3  SER  17           HB3      SER  17  11.604   8.282  -0.844
  122    HG   SER  17           HG       SER  17  11.550   7.636  -3.436
  123    H    VAL  18           H        VAL  18   8.175   5.670  -2.559
  124    HA   VAL  18           HA       VAL  18   6.865   7.570  -4.359
  125    HB   VAL  18           HB       VAL  18   6.705   5.919  -6.155
  126   HG11  VAL  18          HG11      VAL  18   9.560   6.395  -5.318
  127   HG12  VAL  18          HG12      VAL  18   8.544   7.517  -6.229
  128   HG13  VAL  18          HG13      VAL  18   9.012   5.971  -6.939
  129   HG21  VAL  18          HG21      VAL  18   8.043   3.875  -6.105
  130   HG22  VAL  18          HG22      VAL  18   6.843   3.901  -4.813
  131   HG23  VAL  18          HG23      VAL  18   8.534   4.242  -4.453
  132    H    GLU  19           H        GLU  19   4.779   6.708  -5.145
  133    HA   GLU  19           HA       GLU  19   3.386   5.413  -2.947
  134    HB2  GLU  19           HB2      GLU  19   2.516   7.483  -4.066
  135    HB3  GLU  19           HB3      GLU  19   2.246   6.530  -5.516
  136    HG2  GLU  19           HG2      GLU  19   1.043   5.437  -3.079
  137    HG3  GLU  19           HG3      GLU  19   0.401   6.992  -3.597
  138    H    ILE  20           H        ILE  20   2.645   3.389  -2.971
  139    HA   ILE  20           HA       ILE  20   3.012   1.775  -5.411
  140    HB   ILE  20           HB       ILE  20   3.969  -0.040  -3.982
  141   HG12  ILE  20          HG12      ILE  20   4.893   1.758  -1.893
  142   HG13  ILE  20          HG13      ILE  20   3.144   1.589  -1.897
  143   HG21  ILE  20          HG21      ILE  20   5.456   1.274  -5.351
  144   HG22  ILE  20          HG22      ILE  20   6.231   0.924  -3.808
  145   HG23  ILE  20          HG23      ILE  20   5.547   2.521  -4.108
  146   HD11  ILE  20          HD11      ILE  20   5.177  -0.610  -1.671
  147   HD12  ILE  20          HD12      ILE  20   3.437  -0.861  -1.808
  148   HD13  ILE  20          HD13      ILE  20   4.098  -0.016  -0.407
  149    H    VAL  21           H        VAL  21   2.018  -0.332  -5.263
  150    HA   VAL  21           HA       VAL  21  -0.152  -0.529  -3.288
  151    HB   VAL  21           HB       VAL  21  -1.171  -0.401  -5.436
  152   HG11  VAL  21          HG11      VAL  21   0.813  -0.804  -6.793
  153   HG12  VAL  21          HG12      VAL  21  -0.545  -1.796  -7.334
  154   HG13  VAL  21          HG13      VAL  21   0.752  -2.519  -6.381
  155   HG21  VAL  21          HG21      VAL  21  -2.110  -2.118  -3.998
  156   HG22  VAL  21          HG22      VAL  21  -0.987  -3.307  -4.657
  157   HG23  VAL  21          HG23      VAL  21  -2.227  -2.598  -5.692
  158    HA   PRO  22           HA       PRO  22   2.895  -3.408  -1.770
  159    HB2  PRO  22           HB2      PRO  22   0.820  -3.973   0.255
  160    HB3  PRO  22           HB3      PRO  22   2.469  -3.403   0.468
  161    HG2  PRO  22           HG2      PRO  22   0.409  -1.772   0.836
  162    HG3  PRO  22           HG3      PRO  22   1.903  -1.200   0.070
  163    HD2  PRO  22           HD2      PRO  22  -0.696  -1.973  -1.200
  164    HD3  PRO  22           HD3      PRO  22   0.363  -0.592  -1.553
  165    H    ARG  23           H        ARG  23   3.258  -5.572  -1.655
  166    HA   ARG  23           HA       ARG  23   1.335  -7.382  -2.778
  167    HB2  ARG  23           HB2      ARG  23   3.992  -7.862  -1.400
  168    HB3  ARG  23           HB3      ARG  23   3.051  -9.109  -2.202
  169    HG2  ARG  23           HG2      ARG  23   3.278  -7.892  -4.324
  170    HG3  ARG  23           HG3      ARG  23   4.250  -6.672  -3.505
  171    HD2  ARG  23           HD2      ARG  23   5.870  -8.441  -2.905
  172    HD3  ARG  23           HD3      ARG  23   4.919  -9.588  -3.848
  173    HE   ARG  23           HE       ARG  23   5.450  -7.535  -5.579
  174   HH11  ARG  23          HH11      ARG  23   7.350  -9.746  -3.655
  175   HH12  ARG  23          HH12      ARG  23   8.730  -9.679  -4.700
  176   HH21  ARG  23          HH21      ARG  23   7.273  -7.434  -6.971
  177   HH22  ARG  23          HH22      ARG  23   8.688  -8.366  -6.592
  178    H    LEU  24           H        LEU  24  -0.421  -7.791  -1.585
  179    HA   LEU  24           HA       LEU  24  -0.681  -6.914   1.011
  180    HB2  LEU  24           HB2      LEU  24  -2.327  -8.018  -0.986
  181    HB3  LEU  24           HB3      LEU  24  -2.677  -8.842   0.513
  182    HG   LEU  24           HG       LEU  24  -4.103  -6.851   0.093
  183   HD11  LEU  24          HD11      LEU  24  -2.331  -6.758   2.522
  184   HD12  LEU  24          HD12      LEU  24  -3.830  -7.670   2.345
  185   HD13  LEU  24          HD13      LEU  24  -3.866  -5.907   2.352
  186   HD21  LEU  24          HD21      LEU  24  -2.343  -5.485  -0.983
  187   HD22  LEU  24          HD22      LEU  24  -1.571  -5.293   0.593
  188   HD23  LEU  24          HD23      LEU  24  -3.185  -4.638   0.314
  189    HA   PRO  25           HA       PRO  25  -0.615 -11.627   2.511
  190    HB2  PRO  25           HB2      PRO  25   1.570 -12.444   0.653
  191    HB3  PRO  25           HB3      PRO  25   0.255 -13.413   1.327
  192    HG2  PRO  25           HG2      PRO  25   0.128 -12.609  -1.174
  193    HG3  PRO  25           HG3      PRO  25  -1.313 -12.503  -0.146
  194    HD2  PRO  25           HD2      PRO  25   0.578 -10.341  -0.988
  195    HD3  PRO  25           HD3      PRO  25  -1.188 -10.310  -0.864
  196    H    ASP  26           H        ASP  26   2.099  -9.711   1.380
  197    HA   ASP  26           HA       ASP  26   3.591 -10.423   3.818
  198    HB2  ASP  26           HB2      ASP  26   4.553  -9.466   1.127
  199    HB3  ASP  26           HB3      ASP  26   5.588  -9.489   2.550
  200    H    TYR  27           H        TYR  27   1.908  -7.967   2.250
  201    HA   TYR  27           HA       TYR  27   1.640  -5.741   2.498
  202    HB2  TYR  27           HB2      TYR  27   2.196  -6.732   5.209
  203    HB3  TYR  27           HB3      TYR  27   2.484  -5.011   4.991
  204    HD1  TYR  27           HD1      TYR  27   0.351  -4.255   3.110
  205    HD2  TYR  27           HD2      TYR  27   0.244  -6.884   6.456
  206    HE1  TYR  27           HE1      TYR  27  -2.044  -3.788   3.395
  207    HE2  TYR  27           HE2      TYR  27  -2.155  -6.429   6.743
  208    HH   TYR  27           HH       TYR  27  -3.747  -4.538   6.159
  209    H    ILE  28           H        ILE  28   4.093  -6.548   1.298
  210    HA   ILE  28           HA       ILE  28   5.955  -4.521   2.336
  211    HB   ILE  28           HB       ILE  28   7.688  -5.673   0.952
  212   HG12  ILE  28          HG12      ILE  28   5.595  -7.847   0.746
  213   HG13  ILE  28          HG13      ILE  28   6.099  -6.810  -0.581
  214   HG21  ILE  28          HG21      ILE  28   6.386  -7.365   3.079
  215   HG22  ILE  28          HG22      ILE  28   7.502  -6.028   3.359
  216   HG23  ILE  28          HG23      ILE  28   8.058  -7.478   2.526
  217   HD11  ILE  28          HD11      ILE  28   8.352  -7.721  -0.442
  218   HD12  ILE  28          HD12      ILE  28   7.154  -8.989  -0.700
  219   HD13  ILE  28          HD13      ILE  28   7.853  -8.749   0.900
  220    H    CYS  29           H        CYS  29   7.551  -4.104   0.299
  221    HA   CYS  29           HA       CYS  29   5.952  -2.484  -1.497
  222    HB2  CYS  29           HB2      CYS  29   8.001  -1.660  -0.307
  223    HB3  CYS  29           HB3      CYS  29   8.945  -2.811  -1.226
  224    HA   PRO  30           HA       PRO  30   6.502  -5.500  -4.746
  225    HB2  PRO  30           HB2      PRO  30   5.518  -4.104  -6.805
  226    HB3  PRO  30           HB3      PRO  30   4.471  -4.645  -5.491
  227    HG2  PRO  30           HG2      PRO  30   5.610  -1.940  -6.014
  228    HG3  PRO  30           HG3      PRO  30   4.008  -2.380  -5.401
  229    HD2  PRO  30           HD2      PRO  30   6.162  -1.549  -3.856
  230    HD3  PRO  30           HD3      PRO  30   4.741  -2.428  -3.247
  231    H    ARG  31           H        ARG  31   8.145  -2.627  -4.359
  232    HA   ARG  31           HA       ARG  31   9.737  -2.939  -6.782
  233    HB2  ARG  31           HB2      ARG  31   9.936  -0.635  -4.875
  234    HB3  ARG  31           HB3      ARG  31  10.290  -0.677  -6.592
  235    HG2  ARG  31           HG2      ARG  31   7.746  -1.148  -6.818
  236    HG3  ARG  31           HG3      ARG  31   7.665  -0.484  -5.201
  237    HD2  ARG  31           HD2      ARG  31   8.538   1.578  -5.899
  238    HD3  ARG  31           HD3      ARG  31   9.008   0.947  -7.469
  239    HE   ARG  31           HE       ARG  31   6.189   0.759  -7.020
  240   HH11  ARG  31          HH11      ARG  31   8.759   2.929  -7.976
  241   HH12  ARG  31          HH12      ARG  31   7.722   3.953  -8.915
  242   HH21  ARG  31          HH21      ARG  31   4.811   2.113  -8.253
  243   HH22  ARG  31          HH22      ARG  31   5.478   3.485  -9.078
  244    H    CYS  32           H        CYS  32  10.149  -2.464  -3.243
  245    HA   CYS  32           HA       CYS  32  12.892  -3.463  -3.608
  246    HB2  CYS  32           HB2      CYS  32  13.624  -2.096  -1.750
  247    HB3  CYS  32           HB3      CYS  32  12.828  -1.092  -2.954
  248    H    GLU  33           H        GLU  33   9.932  -4.160  -2.209
  249    HA   GLU  33           HA       GLU  33   9.176  -5.771  -0.790
  250    HB2  GLU  33           HB2      GLU  33  11.883  -7.013  -1.306
  251    HB3  GLU  33           HB3      GLU  33  10.457  -7.844  -0.706
  252    HG2  GLU  33           HG2      GLU  33   9.315  -7.522  -2.785
  253    HG3  GLU  33           HG3      GLU  33  10.616  -6.497  -3.391
  254    H    SER  34           H        SER  34  10.250  -3.552   0.498
  255    HA   SER  34           HA       SER  34  12.002  -4.551   2.593
  256    HB2  SER  34           HB2      SER  34  12.813  -2.518   1.759
  257    HB3  SER  34           HB3      SER  34  11.211  -1.786   1.693
  258    HG   SER  34           HG       SER  34  12.762  -1.217   3.496
  259    H    GLY  35           H        GLY  35   9.011  -2.599   2.464
  260    HA2  GLY  35           HA2      GLY  35   7.138  -3.484   3.834
  261    HA3  GLY  35           HA3      GLY  35   8.344  -3.729   5.083
  262    H    PHE  36           H        PHE  36   9.695  -1.189   4.341
  263    HA   PHE  36           HA       PHE  36   8.311   0.600   6.044
  264    HB2  PHE  36           HB2      PHE  36  10.642   0.880   4.178
  265    HB3  PHE  36           HB3      PHE  36   9.946   2.299   4.951
  266    HD1  PHE  36           HD2      PHE  36  11.623  -0.924   5.581
  267    HD2  PHE  36           HD1      PHE  36  10.334   2.786   7.200
  268    HE1  PHE  36           HE2      PHE  36  12.955  -1.352   7.605
  269    HE2  PHE  36           HE1      PHE  36  11.662   2.364   9.235
  270    HZ   PHE  36           HZ       PHE  36  12.974   0.292   9.437
  271    H    ILE  37           H        ILE  37   6.193   0.705   5.170
  272    HA   ILE  37           HA       ILE  37   5.953   2.604   2.959
  273    HB   ILE  37           HB       ILE  37   4.029   1.334   2.055
  274   HG12  ILE  37          HG12      ILE  37   4.930  -0.749   4.049
  275   HG13  ILE  37          HG13      ILE  37   3.356   0.006   3.940
  276   HG21  ILE  37          HG21      ILE  37   5.425  -0.484   1.017
  277   HG22  ILE  37          HG22      ILE  37   6.731   0.024   2.091
  278   HG23  ILE  37          HG23      ILE  37   6.077   1.151   0.902
  279   HD11  ILE  37          HD11      ILE  37   4.535  -1.864   1.900
  280   HD12  ILE  37          HD12      ILE  37   2.935  -1.127   1.833
  281   HD13  ILE  37          HD13      ILE  37   3.320  -2.282   3.108
  282    H    GLU  38           H        GLU  38   4.074   3.872   2.992
  283    HA   GLU  38           HA       GLU  38   2.745   3.899   5.616
  284    HB2  GLU  38           HB2      GLU  38   3.451   6.156   3.758
  285    HB3  GLU  38           HB3      GLU  38   2.342   6.349   5.111
  286    HG2  GLU  38           HG2      GLU  38   4.222   5.487   6.577
  287    HG3  GLU  38           HG3      GLU  38   5.271   5.705   5.176
  288    H    GLU  39           H        GLU  39   0.671   3.513   5.663
  289    HA   GLU  39           HA       GLU  39  -0.810   3.065   3.254
  290    HB2  GLU  39           HB2      GLU  39  -0.970   1.750   5.417
  291    HB3  GLU  39           HB3      GLU  39  -1.834   3.114   6.096
  292    HG2  GLU  39           HG2      GLU  39  -2.825   1.890   3.575
  293    HG3  GLU  39           HG3      GLU  39  -3.097   1.054   5.102
  294    H    LEU  40           H        LEU  40  -1.446   4.754   2.108
  295    HA   LEU  40           HA       LEU  40  -1.664   7.365   3.218
  296    HB2  LEU  40           HB2      LEU  40  -2.401   6.346   0.490
  297    HB3  LEU  40           HB3      LEU  40  -2.310   8.036   0.939
  298    HG   LEU  40           HG       LEU  40  -0.003   6.095   0.878
  299   HD11  LEU  40          HD11      LEU  40   0.796   7.414  -0.985
  300   HD12  LEU  40          HD12      LEU  40  -0.643   8.428  -0.902
  301   HD13  LEU  40          HD13      LEU  40  -0.788   6.725  -1.334
  302   HD21  LEU  40          HD21      LEU  40  -0.090   9.031   1.549
  303   HD22  LEU  40          HD22      LEU  40   1.382   8.101   1.280
  304   HD23  LEU  40          HD23      LEU  40   0.330   7.711   2.640
  Start of MODEL    3
    1    H1   GLY  -1           H1       GLY  -1 -13.816   6.761   4.250
    2    H2   GLY  -1           H2       GLY  -1 -12.963   7.189   5.641
    3    H3   GLY  -1           H3       GLY  -1 -13.921   8.337   4.850
    4    HA2  GLY  -1           HA3      GLY  -1 -15.002   7.512   6.860
    5    HA3  GLY  -1           HA2      GLY  -1 -15.920   7.148   5.406
    6    H    SER   0           H        SER   0 -16.598   5.640   7.447
    7    HA   SER   0           HA       SER   0 -15.689   3.013   6.652
    8    HB2  SER   0           HB2      SER   0 -15.315   3.978   9.502
    9    HB3  SER   0           HB3      SER   0 -15.135   2.306   8.972
   10    HG   SER   0           HG       SER   0 -13.675   3.914   7.394
   11    H    MET   1           H        MET   1 -16.831   1.420   8.441
   12    HA   MET   1           HA       MET   1 -18.737   0.532   9.254
   13    HB2  MET   1           HB2      MET   1 -19.616   3.408   9.463
   14    HB3  MET   1           HB3      MET   1 -20.555   2.051  10.063
   15    HG2  MET   1           HG2      MET   1 -18.691   1.458  11.555
   16    HG3  MET   1           HG3      MET   1 -17.815   2.877  10.986
   17    HE1  MET   1           HE1      MET   1 -17.508   3.866  13.410
   18    HE2  MET   1           HE2      MET   1 -18.260   2.399  14.033
   19    HE3  MET   1           HE3      MET   1 -18.815   3.978  14.587
   20    H    ALA   2           H        ALA   2 -20.333   3.243   7.609
   21    HA   ALA   2           HA       ALA   2 -21.849   1.272   6.066
   22    HB1  ALA   2           HB1      ALA   2 -23.121   2.933   7.356
   23    HB2  ALA   2           HB2      ALA   2 -23.413   3.085   5.624
   24    HB3  ALA   2           HB3      ALA   2 -22.346   4.226   6.441
   25    H    GLU   3           H        GLU   3 -19.303   3.438   5.824
   26    HA   GLU   3           HA       GLU   3 -19.568   3.985   3.020
   27    HB2  GLU   3           HB2      GLU   3 -18.530   5.623   4.526
   28    HB3  GLU   3           HB3      GLU   3 -17.278   4.466   4.939
   29    HG2  GLU   3           HG2      GLU   3 -16.467   6.121   3.378
   30    HG3  GLU   3           HG3      GLU   3 -16.453   4.514   2.657
   31    H    ALA   4           H        ALA   4 -17.820   3.361   1.496
   32    HA   ALA   4           HA       ALA   4 -17.478   0.610   1.297
   33    HB1  ALA   4           HB1      ALA   4 -15.755   2.764   0.072
   34    HB2  ALA   4           HB2      ALA   4 -17.280   2.172  -0.588
   35    HB3  ALA   4           HB3      ALA   4 -15.889   1.093  -0.480
   36    H    SER   5           H        SER   5 -15.996  -0.802   1.958
   37    HA   SER   5           HA       SER   5 -14.613  -0.410   4.309
   38    HB2  SER   5           HB2      SER   5 -14.075  -2.487   2.180
   39    HB3  SER   5           HB3      SER   5 -13.607  -2.597   3.875
   40    HG   SER   5           HG       SER   5 -15.895  -2.419   4.359
   41    HA   PRO   6           HA       PRO   6 -10.997   1.787   2.771
   42    HB2  PRO   6           HB2      PRO   6 -10.149   1.735   5.569
   43    HB3  PRO   6           HB3      PRO   6 -10.535   3.120   4.546
   44    HG2  PRO   6           HG2      PRO   6 -12.109   2.341   6.601
   45    HG3  PRO   6           HG3      PRO   6 -12.750   3.107   5.137
   46    HD2  PRO   6           HD2      PRO   6 -12.733   0.217   5.912
   47    HD3  PRO   6           HD3      PRO   6 -14.006   1.168   5.119
   48    H    HIS   7           H        HIS   7 -10.686  -0.600   1.991
   49    HA   HIS   7           HA       HIS   7  -8.781  -2.146   3.463
   50    HB2  HIS   7           HB2      HIS   7  -8.651  -3.545   1.452
   51    HB3  HIS   7           HB3      HIS   7 -10.315  -3.235   1.894
   52    HD1  HIS   7           HD1      HIS   7 -11.751  -1.850   0.240
   53    HD2  HIS   7           HD2      HIS   7  -7.822  -2.445  -0.991
   54    HE1  HIS   7           HE1      HIS   7 -11.687  -1.179  -2.183
   55    HE2  HIS   7           HE2      HIS   7  -9.328  -1.644  -2.933
   56    HA   PRO   8           HA       PRO   8  -5.241   0.309   2.469
   57    HB2  PRO   8           HB2      PRO   8  -3.712  -2.188   2.862
   58    HB3  PRO   8           HB3      PRO   8  -3.577  -0.642   3.705
   59    HG2  PRO   8           HG2      PRO   8  -4.646  -2.787   4.880
   60    HG3  PRO   8           HG3      PRO   8  -5.255  -1.153   5.196
   61    HD2  PRO   8           HD2      PRO   8  -6.411  -3.309   3.479
   62    HD3  PRO   8           HD3      PRO   8  -7.230  -2.129   4.524
   63    H    GLY   9           H        GLY   9  -4.731   0.849   0.440
   64    HA2  GLY   9           HA2      GLY   9  -3.786  -1.270  -1.356
   65    HA3  GLY   9           HA3      GLY   9  -5.079  -0.216  -1.906
   66    H    ARG  10           H        ARG  10  -4.361   2.204  -1.048
   67    HA   ARG  10           HA       ARG  10  -2.020   2.814  -2.615
   68    HB2  ARG  10           HB2      ARG  10  -2.593   5.183  -1.986
   69    HB3  ARG  10           HB3      ARG  10  -3.835   4.328  -2.873
   70    HG2  ARG  10           HG2      ARG  10  -5.235   4.186  -1.068
   71    HG3  ARG  10           HG3      ARG  10  -3.927   4.369   0.100
   72    HD2  ARG  10           HD2      ARG  10  -4.861   6.450   0.205
   73    HD3  ARG  10           HD3      ARG  10  -3.679   6.686  -1.077
   74    HE   ARG  10           HE       ARG  10  -6.279   5.904  -2.026
   75   HH11  ARG  10          HH11      ARG  10  -4.220   8.588  -1.138
   76   HH12  ARG  10          HH12      ARG  10  -5.092   9.743  -2.093
   77   HH21  ARG  10          HH21      ARG  10  -7.449   7.429  -3.270
   78   HH22  ARG  10          HH22      ARG  10  -6.937   9.088  -3.290
   79    H    TYR  11           H        TYR  11  -0.083   2.599  -1.758
   80    HA   TYR  11           HA       TYR  11   0.334   3.554   0.996
   81    HB2  TYR  11           HB2      TYR  11   1.375   1.100  -0.360
   82    HB3  TYR  11           HB3      TYR  11   2.376   1.905   0.840
   83    HD1  TYR  11           HD1      TYR  11  -1.133   0.667   0.444
   84    HD2  TYR  11           HD2      TYR  11   2.214   1.222   3.011
   85    HE1  TYR  11           HE1      TYR  11  -2.318  -0.519   2.251
   86    HE2  TYR  11           HE2      TYR  11   1.052   0.040   4.811
   87    HH   TYR  11           HH       TYR  11  -1.252  -0.497   5.482
   88    H    PHE  12           H        PHE  12   2.559   4.252   1.402
   89    HA   PHE  12           HA       PHE  12   3.934   5.177  -1.023
   90    HB2  PHE  12           HB2      PHE  12   2.651   6.953   0.321
   91    HB3  PHE  12           HB3      PHE  12   3.896   6.746   1.548
   92    HD1  PHE  12           HD2      PHE  12   3.178   7.827  -1.858
   93    HD2  PHE  12           HD1      PHE  12   6.104   7.599   1.216
   94    HE1  PHE  12           HE2      PHE  12   4.610   9.396  -3.114
   95    HE2  PHE  12           HE1      PHE  12   7.554   9.166  -0.032
   96    HZ   PHE  12           HZ       PHE  12   6.794  10.070  -2.196
   97    H    CYS  13           H        CYS  13   5.782   4.092  -1.129
   98    HA   CYS  13           HA       CYS  13   6.912   2.842   1.191
   99    HB2  CYS  13           HB2      CYS  13   7.079   1.676  -0.910
  100    HB3  CYS  13           HB3      CYS  13   7.884   3.047  -1.658
  101    H    HIS  14           H        HIS  14   8.533   3.504   2.439
  102    HA   HIS  14           HA       HIS  14   9.558   6.188   2.016
  103    HB2  HIS  14           HB2      HIS  14   9.439   4.284   4.296
  104    HB3  HIS  14           HB3      HIS  14  10.754   5.458   4.293
  105    HD1  HIS  14           HD1      HIS  14   9.903   6.965   6.146
  106    HD2  HIS  14           HD2      HIS  14   7.103   6.346   3.136
  107    HE1  HIS  14           HE1      HIS  14   8.037   8.582   6.614
  108    HE2  HIS  14           HE2      HIS  14   6.426   8.292   4.700
  109    H    CYS  15           H        CYS  15  10.483   3.032   1.347
  110    HA   CYS  15           HA       CYS  15  13.334   3.541   1.344
  111    HB2  CYS  15           HB2      CYS  15  11.737   1.188   0.306
  112    HB3  CYS  15           HB3      CYS  15  13.481   1.231   0.499
  113    HG   CYS  15           HG       CYS  15  13.084   1.798   3.366
  114    H    CYS  16           H        CYS  16  10.657   3.445  -0.902
  115    HA   CYS  16           HA       CYS  16  12.461   4.016  -3.153
  116    HB2  CYS  16           HB2      CYS  16   9.536   3.253  -3.150
  117    HB3  CYS  16           HB3      CYS  16  10.490   3.585  -4.581
  118    H    SER  17           H        SER  17  10.422   5.500  -0.979
  119    HA   SER  17           HA       SER  17   9.231   7.395  -0.795
  120    HB2  SER  17           HB2      SER  17  10.303   9.452  -1.697
  121    HB3  SER  17           HB3      SER  17  11.392   8.430  -0.768
  122    HG   SER  17           HG       SER  17  11.552   7.651  -3.296
  123    H    VAL  18           H        VAL  18   8.155   5.692  -2.676
  124    HA   VAL  18           HA       VAL  18   6.798   7.626  -4.411
  125    HB   VAL  18           HB       VAL  18   6.677   6.056  -6.260
  126   HG11  VAL  18          HG11      VAL  18   8.988   6.090  -7.013
  127   HG12  VAL  18          HG12      VAL  18   9.528   6.419  -5.366
  128   HG13  VAL  18          HG13      VAL  18   8.555   7.611  -6.231
  129   HG21  VAL  18          HG21      VAL  18   8.411   4.261  -4.578
  130   HG22  VAL  18          HG22      VAL  18   7.995   3.983  -6.268
  131   HG23  VAL  18          HG23      VAL  18   6.734   3.972  -5.036
  132    H    GLU  19           H        GLU  19   4.738   6.794  -5.224
  133    HA   GLU  19           HA       GLU  19   3.277   5.557  -3.059
  134    HB2  GLU  19           HB2      GLU  19   2.588   7.517  -4.721
  135    HB3  GLU  19           HB3      GLU  19   1.999   6.172  -5.684
  136    HG2  GLU  19           HG2      GLU  19   0.802   5.449  -3.548
  137    HG3  GLU  19           HG3      GLU  19   1.131   7.074  -2.972
  138    H    ILE  20           H        ILE  20   2.603   3.494  -2.991
  139    HA   ILE  20           HA       ILE  20   2.993   1.797  -5.372
  140    HB   ILE  20           HB       ILE  20   3.958   0.033  -3.924
  141   HG12  ILE  20          HG12      ILE  20   4.774   1.837  -1.790
  142   HG13  ILE  20          HG13      ILE  20   3.030   1.617  -1.854
  143   HG21  ILE  20          HG21      ILE  20   5.489   2.624  -3.981
  144   HG22  ILE  20          HG22      ILE  20   5.468   1.376  -5.229
  145   HG23  ILE  20          HG23      ILE  20   6.193   1.040  -3.657
  146   HD11  ILE  20          HD11      ILE  20   3.979   0.015  -0.358
  147   HD12  ILE  20          HD12      ILE  20   5.114  -0.531  -1.593
  148   HD13  ILE  20          HD13      ILE  20   3.386  -0.826  -1.790
  149    H    VAL  21           H        VAL  21   2.020  -0.319  -5.145
  150    HA   VAL  21           HA       VAL  21  -0.151  -0.468  -3.161
  151    HB   VAL  21           HB       VAL  21  -1.178  -0.419  -5.314
  152   HG11  VAL  21          HG11      VAL  21   0.827  -0.853  -6.645
  153   HG12  VAL  21          HG12      VAL  21  -0.535  -1.845  -7.171
  154   HG13  VAL  21          HG13      VAL  21   0.752  -2.558  -6.197
  155   HG21  VAL  21          HG21      VAL  21  -2.111  -2.100  -3.836
  156   HG22  VAL  21          HG22      VAL  21  -0.952  -3.292  -4.424
  157   HG23  VAL  21          HG23      VAL  21  -2.188  -2.655  -5.508
  158    HA   PRO  22           HA       PRO  22   2.838  -3.379  -1.577
  159    HB2  PRO  22           HB2      PRO  22   0.710  -3.979   0.377
  160    HB3  PRO  22           HB3      PRO  22   2.351  -3.399   0.648
  161    HG2  PRO  22           HG2      PRO  22   0.269  -1.791   0.980
  162    HG3  PRO  22           HG3      PRO  22   1.778  -1.195   0.263
  163    HD2  PRO  22           HD2      PRO  22  -0.776  -1.978  -1.092
  164    HD3  PRO  22           HD3      PRO  22   0.273  -0.575  -1.390
  165    H    ARG  23           H        ARG  23   3.208  -5.531  -1.628
  166    HA   ARG  23           HA       ARG  23   1.260  -7.324  -2.722
  167    HB2  ARG  23           HB2      ARG  23   3.912  -7.850  -1.347
  168    HB3  ARG  23           HB3      ARG  23   2.972  -9.058  -2.203
  169    HG2  ARG  23           HG2      ARG  23   3.266  -7.813  -4.286
  170    HG3  ARG  23           HG3      ARG  23   4.191  -6.587  -3.422
  171    HD2  ARG  23           HD2      ARG  23   5.819  -8.340  -2.787
  172    HD3  ARG  23           HD3      ARG  23   4.921  -9.490  -3.772
  173    HE   ARG  23           HE       ARG  23   5.501  -7.421  -5.475
  174   HH11  ARG  23          HH11      ARG  23   7.346  -9.605  -3.459
  175   HH12  ARG  23          HH12      ARG  23   8.766  -9.544  -4.454
  176   HH21  ARG  23          HH21      ARG  23   7.370  -7.334  -6.804
  177   HH22  ARG  23          HH22      ARG  23   8.773  -8.264  -6.375
  178    H    LEU  24           H        LEU  24  -0.494  -7.677  -1.486
  179    HA   LEU  24           HA       LEU  24  -0.680  -6.871   1.140
  180    HB2  LEU  24           HB2      LEU  24  -2.410  -7.741  -0.831
  181    HB3  LEU  24           HB3      LEU  24  -2.688  -8.824   0.514
  182    HG   LEU  24           HG       LEU  24  -4.168  -6.822   0.474
  183   HD11  LEU  24          HD11      LEU  24  -3.792  -8.055   2.536
  184   HD12  LEU  24          HD12      LEU  24  -3.953  -6.327   2.854
  185   HD13  LEU  24          HD13      LEU  24  -2.359  -7.081   2.864
  186   HD21  LEU  24          HD21      LEU  24  -1.680  -5.311   1.245
  187   HD22  LEU  24          HD22      LEU  24  -3.310  -4.666   1.047
  188   HD23  LEU  24          HD23      LEU  24  -2.421  -5.258  -0.354
  189    HA   PRO  25           HA       PRO  25  -0.624 -11.589   2.553
  190    HB2  PRO  25           HB2      PRO  25   1.357 -12.502   0.526
  191    HB3  PRO  25           HB3      PRO  25   0.034 -13.396   1.280
  192    HG2  PRO  25           HG2      PRO  25  -0.216 -12.555  -1.199
  193    HG3  PRO  25           HG3      PRO  25  -1.574 -12.366  -0.071
  194    HD2  PRO  25           HD2      PRO  25   0.412 -10.321  -0.994
  195    HD3  PRO  25           HD3      PRO  25  -1.342 -10.177  -0.794
  196    H    ASP  26           H        ASP  26   2.062  -9.723   1.279
  197    HA   ASP  26           HA       ASP  26   3.716 -10.624   3.548
  198    HB2  ASP  26           HB2      ASP  26   4.482  -9.527   0.849
  199    HB3  ASP  26           HB3      ASP  26   5.617  -9.559   2.192
  200    H    TYR  27           H        TYR  27   2.012  -8.014   2.249
  201    HA   TYR  27           HA       TYR  27   1.828  -5.806   2.656
  202    HB2  TYR  27           HB2      TYR  27   2.444  -6.995   5.281
  203    HB3  TYR  27           HB3      TYR  27   2.699  -5.257   5.164
  204    HD1  TYR  27           HD2      TYR  27   0.582  -4.302   3.487
  205    HD2  TYR  27           HD1      TYR  27   0.462  -7.392   6.409
  206    HE1  TYR  27           HE2      TYR  27  -1.820  -3.904   3.794
  207    HE2  TYR  27           HE1      TYR  27  -1.947  -7.006   6.722
  208    HH   TYR  27           HH       TYR  27  -3.557  -5.081   6.392
  209    H    ILE  28           H        ILE  28   4.140  -6.503   1.279
  210    HA   ILE  28           HA       ILE  28   6.054  -4.542   2.348
  211    HB   ILE  28           HB       ILE  28   7.759  -5.675   0.909
  212   HG12  ILE  28          HG12      ILE  28   5.622  -7.810   0.716
  213   HG13  ILE  28          HG13      ILE  28   6.202  -6.817  -0.613
  214   HG21  ILE  28          HG21      ILE  28   7.678  -6.048   3.305
  215   HG22  ILE  28          HG22      ILE  28   8.146  -7.524   2.462
  216   HG23  ILE  28          HG23      ILE  28   6.503  -7.346   3.082
  217   HD11  ILE  28          HD11      ILE  28   8.409  -7.819  -0.400
  218   HD12  ILE  28          HD12      ILE  28   7.167  -9.038  -0.673
  219   HD13  ILE  28          HD13      ILE  28   7.833  -8.807   0.942
  220    H    CYS  29           H        CYS  29   7.586  -4.090   0.261
  221    HA   CYS  29           HA       CYS  29   5.913  -2.454  -1.455
  222    HB2  CYS  29           HB2      CYS  29   7.962  -1.593  -0.333
  223    HB3  CYS  29           HB3      CYS  29   8.913  -2.753  -1.233
  224    HA   PRO  30           HA       PRO  30   6.293  -5.411  -4.763
  225    HB2  PRO  30           HB2      PRO  30   5.419  -3.889  -6.808
  226    HB3  PRO  30           HB3      PRO  30   4.324  -4.475  -5.551
  227    HG2  PRO  30           HG2      PRO  30   5.553  -1.776  -5.890
  228    HG3  PRO  30           HG3      PRO  30   3.915  -2.202  -5.366
  229    HD2  PRO  30           HD2      PRO  30   5.967  -1.492  -3.674
  230    HD3  PRO  30           HD3      PRO  30   4.561  -2.469  -3.193
  231    H    ARG  31           H        ARG  31   7.935  -2.418  -4.550
  232    HA   ARG  31           HA       ARG  31   9.611  -2.941  -6.863
  233    HB2  ARG  31           HB2      ARG  31  10.033  -0.626  -5.031
  234    HB3  ARG  31           HB3      ARG  31  10.249  -0.725  -6.770
  235    HG2  ARG  31           HG2      ARG  31   7.582  -1.101  -6.553
  236    HG3  ARG  31           HG3      ARG  31   7.886  -0.037  -5.187
  237    HD2  ARG  31           HD2      ARG  31   7.387   1.336  -7.051
  238    HD3  ARG  31           HD3      ARG  31   9.114   1.471  -6.743
  239    HE   ARG  31           HE       ARG  31   8.404  -0.520  -8.707
  240   HH11  ARG  31          HH11      ARG  31   9.296   2.826  -8.170
  241   HH12  ARG  31          HH12      ARG  31   9.781   3.088  -9.815
  242   HH21  ARG  31          HH21      ARG  31   9.064  -0.178 -10.857
  243   HH22  ARG  31          HH22      ARG  31   9.663   1.379 -11.335
  244    H    CYS  32           H        CYS  32  10.026  -2.431  -3.320
  245    HA   CYS  32           HA       CYS  32  12.745  -3.484  -3.702
  246    HB2  CYS  32           HB2      CYS  32  13.544  -2.104  -1.894
  247    HB3  CYS  32           HB3      CYS  32  12.724  -1.099  -3.079
  248    H    GLU  33           H        GLU  33   9.801  -4.124  -2.239
  249    HA   GLU  33           HA       GLU  33   9.064  -5.780  -0.862
  250    HB2  GLU  33           HB2      GLU  33  11.801  -6.954  -1.382
  251    HB3  GLU  33           HB3      GLU  33  10.400  -7.826  -0.780
  252    HG2  GLU  33           HG2      GLU  33   9.249  -7.554  -2.851
  253    HG3  GLU  33           HG3      GLU  33  10.486  -6.450  -3.452
  254    H    SER  34           H        SER  34  10.287  -3.519   0.369
  255    HA   SER  34           HA       SER  34  12.025  -4.525   2.453
  256    HB2  SER  34           HB2      SER  34  12.764  -2.503   1.447
  257    HB3  SER  34           HB3      SER  34  11.193  -1.732   1.654
  258    HG   SER  34           HG       SER  34  13.116  -1.394   3.222
  259    H    GLY  35           H        GLY  35   9.041  -2.559   2.396
  260    HA2  GLY  35           HA2      GLY  35   7.200  -3.490   3.781
  261    HA3  GLY  35           HA3      GLY  35   8.424  -3.729   5.013
  262    H    PHE  36           H        PHE  36   9.699  -1.127   4.245
  263    HA   PHE  36           HA       PHE  36   8.224   0.584   5.980
  264    HB2  PHE  36           HB2      PHE  36  10.630   0.948   4.234
  265    HB3  PHE  36           HB3      PHE  36   9.834   2.359   4.920
  266    HD1  PHE  36           HD2      PHE  36  11.664  -0.730   5.719
  267    HD2  PHE  36           HD1      PHE  36   9.985   2.881   7.209
  268    HE1  PHE  36           HE2      PHE  36  12.866  -1.056   7.843
  269    HE2  PHE  36           HE1      PHE  36  11.183   2.565   9.339
  270    HZ   PHE  36           HZ       PHE  36  12.625   0.593   9.657
  271    H    ILE  37           H        ILE  37   6.151   0.693   5.114
  272    HA   ILE  37           HA       ILE  37   5.885   2.551   2.874
  273    HB   ILE  37           HB       ILE  37   3.975   1.237   1.997
  274   HG12  ILE  37          HG12      ILE  37   4.933  -0.788   4.020
  275   HG13  ILE  37          HG13      ILE  37   3.337  -0.086   3.887
  276   HG21  ILE  37          HG21      ILE  37   5.391  -0.535   0.939
  277   HG22  ILE  37          HG22      ILE  37   6.693  -0.038   2.023
  278   HG23  ILE  37          HG23      ILE  37   6.038   1.105   0.849
  279   HD11  ILE  37          HD11      ILE  37   2.932  -1.290   1.839
  280   HD12  ILE  37          HD12      ILE  37   3.420  -2.407   3.111
  281   HD13  ILE  37          HD13      ILE  37   4.573  -1.934   1.863
  282    H    GLU  38           H        GLU  38   4.058   3.845   2.941
  283    HA   GLU  38           HA       GLU  38   2.771   3.888   5.584
  284    HB2  GLU  38           HB2      GLU  38   3.426   6.136   3.704
  285    HB3  GLU  38           HB3      GLU  38   2.487   6.325   5.181
  286    HG2  GLU  38           HG2      GLU  38   5.365   5.504   4.922
  287    HG3  GLU  38           HG3      GLU  38   4.719   6.979   5.629
  288    H    GLU  39           H        GLU  39   0.727   3.327   5.583
  289    HA   GLU  39           HA       GLU  39  -0.884   3.147   3.251
  290    HB2  GLU  39           HB2      GLU  39  -1.033   1.751   5.366
  291    HB3  GLU  39           HB3      GLU  39  -1.798   3.130   6.129
  292    HG2  GLU  39           HG2      GLU  39  -2.924   1.969   3.621
  293    HG3  GLU  39           HG3      GLU  39  -3.243   1.218   5.181
  294    H    LEU  40           H        LEU  40  -1.716   4.815   2.237
  295    HA   LEU  40           HA       LEU  40  -1.711   7.422   3.445
  296    HB2  LEU  40           HB2      LEU  40  -2.619   6.524   0.723
  297    HB3  LEU  40           HB3      LEU  40  -2.442   8.190   1.223
  298    HG   LEU  40           HG       LEU  40  -0.189   6.191   1.007
  299   HD11  LEU  40          HD11      LEU  40  -0.969   8.481  -0.773
  300   HD12  LEU  40          HD12      LEU  40  -1.040   6.763  -1.165
  301   HD13  LEU  40          HD13      LEU  40   0.519   7.543  -0.902
  302   HD21  LEU  40          HD21      LEU  40  -0.182   9.141   1.626
  303   HD22  LEU  40          HD22      LEU  40   1.251   8.164   1.314
  304   HD23  LEU  40          HD23      LEU  40   0.254   7.837   2.730
  Start of MODEL    4
    1    H1   GLY  -1           H1       GLY  -1 -26.792  -2.422  -6.049
    2    H2   GLY  -1           H2       GLY  -1 -26.556  -3.801  -6.996
    3    H3   GLY  -1           H3       GLY  -1 -27.403  -2.482  -7.626
    4    HA2  GLY  -1           HA3      GLY  -1 -25.172  -2.556  -8.528
    5    HA3  GLY  -1           HA2      GLY  -1 -25.422  -1.120  -7.545
    6    H    SER   0           H        SER   0 -24.297  -0.871  -5.641
    7    HA   SER   0           HA       SER   0 -22.664  -3.034  -4.632
    8    HB2  SER   0           HB2      SER   0 -21.284  -2.028  -6.454
    9    HB3  SER   0           HB3      SER   0 -21.363  -0.481  -5.616
   10    HG   SER   0           HG       SER   0 -19.693  -2.531  -5.198
   11    H    MET   1           H        MET   1 -22.483  -2.884  -2.482
   12    HA   MET   1           HA       MET   1 -23.516  -0.528  -1.136
   13    HB2  MET   1           HB2      MET   1 -22.521  -3.178  -0.074
   14    HB3  MET   1           HB3      MET   1 -23.147  -1.885   0.937
   15    HG2  MET   1           HG2      MET   1 -25.306  -2.049  -0.185
   16    HG3  MET   1           HG3      MET   1 -24.678  -3.340  -1.206
   17    HE1  MET   1           HE1      MET   1 -24.099  -5.746  -0.381
   18    HE2  MET   1           HE2      MET   1 -24.134  -6.255   1.306
   19    HE3  MET   1           HE3      MET   1 -22.933  -5.083   0.764
   20    H    ALA   2           H        ALA   2 -22.304   0.985  -0.111
   21    HA   ALA   2           HA       ALA   2 -19.422   0.814  -0.538
   22    HB1  ALA   2           HB1      ALA   2 -20.579   2.828  -1.302
   23    HB2  ALA   2           HB2      ALA   2 -19.397   3.204  -0.047
   24    HB3  ALA   2           HB3      ALA   2 -21.115   3.148   0.348
   25    H    GLU   3           H        GLU   3 -21.370  -0.244   1.741
   26    HA   GLU   3           HA       GLU   3 -20.330   0.793   4.140
   27    HB2  GLU   3           HB2      GLU   3 -22.448  -0.503   3.960
   28    HB3  GLU   3           HB3      GLU   3 -21.503  -1.952   3.652
   29    HG2  GLU   3           HG2      GLU   3 -22.191  -1.936   5.939
   30    HG3  GLU   3           HG3      GLU   3 -20.447  -1.695   5.865
   31    H    ALA   4           H        ALA   4 -19.381  -1.855   2.044
   32    HA   ALA   4           HA       ALA   4 -17.290  -2.741   3.827
   33    HB1  ALA   4           HB1      ALA   4 -16.798  -4.393   2.110
   34    HB2  ALA   4           HB2      ALA   4 -17.905  -3.590   0.998
   35    HB3  ALA   4           HB3      ALA   4 -18.527  -4.360   2.458
   36    H    SER   5           H        SER   5 -15.288  -1.967   3.855
   37    HA   SER   5           HA       SER   5 -14.444  -0.037   1.889
   38    HB2  SER   5           HB2      SER   5 -12.295  -0.107   3.314
   39    HB3  SER   5           HB3      SER   5 -13.760   0.504   4.079
   40    HG   SER   5           HG       SER   5 -13.770  -1.141   5.396
   41    HA   PRO   6           HA       PRO   6 -12.558  -3.043  -0.737
   42    HB2  PRO   6           HB2      PRO   6 -11.200  -1.385  -2.369
   43    HB3  PRO   6           HB3      PRO   6 -12.961  -1.532  -2.420
   44    HG2  PRO   6           HG2      PRO   6 -11.273   0.552  -1.088
   45    HG3  PRO   6           HG3      PRO   6 -12.744   0.756  -2.056
   46    HD2  PRO   6           HD2      PRO   6 -12.745   0.782   0.659
   47    HD3  PRO   6           HD3      PRO   6 -14.126   0.219  -0.296
   48    H    HIS   7           H        HIS   7 -11.056  -1.641   1.714
   49    HA   HIS   7           HA       HIS   7  -9.140  -2.104   2.822
   50    HB2  HIS   7           HB2      HIS   7  -9.289  -4.359   2.039
   51    HB3  HIS   7           HB3      HIS   7  -8.640  -3.934   0.470
   52    HD1  HIS   7           HD1      HIS   7  -6.061  -3.567   0.334
   53    HD2  HIS   7           HD2      HIS   7  -7.447  -4.801   4.051
   54    HE1  HIS   7           HE1      HIS   7  -4.016  -4.251   1.627
   55    HE2  HIS   7           HE2      HIS   7  -4.886  -5.112   3.831
   56    HA   PRO   8           HA       PRO   8  -6.562   1.148   1.388
   57    HB2  PRO   8           HB2      PRO   8  -4.407  -0.076   3.002
   58    HB3  PRO   8           HB3      PRO   8  -5.130   1.530   3.126
   59    HG2  PRO   8           HG2      PRO   8  -5.635  -0.361   4.939
   60    HG3  PRO   8           HG3      PRO   8  -6.893   0.780   4.423
   61    HD2  PRO   8           HD2      PRO   8  -6.471  -2.073   3.623
   62    HD3  PRO   8           HD3      PRO   8  -7.990  -1.222   3.965
   63    H    GLY   9           H        GLY   9  -5.162   1.490  -0.267
   64    HA2  GLY   9           HA2      GLY   9  -3.594  -0.801  -1.219
   65    HA3  GLY   9           HA3      GLY   9  -4.728  -0.024  -2.311
   66    H    ARG  10           H        ARG  10  -4.293   2.639  -1.445
   67    HA   ARG  10           HA       ARG  10  -1.857   3.233  -2.825
   68    HB2  ARG  10           HB2      ARG  10  -2.417   5.606  -2.212
   69    HB3  ARG  10           HB3      ARG  10  -3.653   4.769  -3.139
   70    HG2  ARG  10           HG2      ARG  10  -5.096   4.636  -1.353
   71    HG3  ARG  10           HG3      ARG  10  -3.812   4.828  -0.161
   72    HD2  ARG  10           HD2      ARG  10  -4.526   6.949  -0.051
   73    HD3  ARG  10           HD3      ARG  10  -3.638   7.147  -1.558
   74    HE   ARG  10           HE       ARG  10  -5.875   6.557  -2.633
   75   HH11  ARG  10          HH11      ARG  10  -5.545   8.231   0.421
   76   HH12  ARG  10          HH12      ARG  10  -7.019   9.126   0.233
   77   HH21  ARG  10          HH21      ARG  10  -7.825   7.734  -2.881
   78   HH22  ARG  10          HH22      ARG  10  -8.315   8.845  -1.644
   79    H    TYR  11           H        TYR  11  -0.040   2.714  -1.819
   80    HA   TYR  11           HA       TYR  11   0.350   3.733   0.918
   81    HB2  TYR  11           HB2      TYR  11   1.275   1.217  -0.398
   82    HB3  TYR  11           HB3      TYR  11   2.320   1.973   0.797
   83    HD1  TYR  11           HD2      TYR  11  -1.233   0.868   0.381
   84    HD2  TYR  11           HD1      TYR  11   2.075   1.426   2.998
   85    HE1  TYR  11           HE2      TYR  11  -2.500  -0.190   2.211
   86    HE2  TYR  11           HE1      TYR  11   0.834   0.376   4.822
   87    HH   TYR  11           HH       TYR  11  -2.084  -1.335   4.325
   88    H    PHE  12           H        PHE  12   2.606   4.327   1.395
   89    HA   PHE  12           HA       PHE  12   4.053   5.225  -0.998
   90    HB2  PHE  12           HB2      PHE  12   2.807   7.032   0.317
   91    HB3  PHE  12           HB3      PHE  12   4.001   6.772   1.584
   92    HD1  PHE  12           HD2      PHE  12   3.421   7.955  -1.810
   93    HD2  PHE  12           HD1      PHE  12   6.269   7.514   1.319
   94    HE1  PHE  12           HE2      PHE  12   4.948   9.489  -2.989
   95    HE2  PHE  12           HE1      PHE  12   7.807   9.048   0.144
   96    HZ   PHE  12           HZ       PHE  12   7.139  10.041  -2.007
   97    H    CYS  13           H        CYS  13   5.860   4.100  -1.099
   98    HA   CYS  13           HA       CYS  13   6.969   2.840   1.238
   99    HB2  CYS  13           HB2      CYS  13   7.074   1.589  -0.802
  100    HB3  CYS  13           HB3      CYS  13   7.849   2.921  -1.648
  101    H    HIS  14           H        HIS  14   8.626   3.492   2.445
  102    HA   HIS  14           HA       HIS  14   9.711   6.134   1.999
  103    HB2  HIS  14           HB2      HIS  14   9.726   4.150   4.212
  104    HB3  HIS  14           HB3      HIS  14  11.077   5.284   4.144
  105    HD1  HIS  14           HD1      HIS  14  10.686   7.471   5.232
  106    HD2  HIS  14           HD2      HIS  14   7.128   5.600   4.182
  107    HE1  HIS  14           HE1      HIS  14   8.861   8.923   6.161
  108    HE2  HIS  14           HE2      HIS  14   6.713   7.854   5.383
  109    H    CYS  15           H        CYS  15  10.573   2.941   1.282
  110    HA   CYS  15           HA       CYS  15  13.426   3.402   1.158
  111    HB2  CYS  15           HB2      CYS  15  11.745   1.054   0.266
  112    HB3  CYS  15           HB3      CYS  15  13.495   1.066   0.386
  113    HG   CYS  15           HG       CYS  15  13.311   1.661   3.233
  114    H    CYS  16           H        CYS  16  10.695   3.484  -0.953
  115    HA   CYS  16           HA       CYS  16  12.462   3.877  -3.274
  116    HB2  CYS  16           HB2      CYS  16   9.526   3.165  -3.190
  117    HB3  CYS  16           HB3      CYS  16  10.448   3.453  -4.654
  118    H    SER  17           H        SER  17  10.484   5.442  -1.099
  119    HA   SER  17           HA       SER  17   9.297   7.341  -0.937
  120    HB2  SER  17           HB2      SER  17  10.362   9.376  -1.814
  121    HB3  SER  17           HB3      SER  17  11.513   8.322  -1.001
  122    HG   SER  17           HG       SER  17  11.640   7.545  -3.447
  123    H    VAL  18           H        VAL  18   8.131   5.634  -2.701
  124    HA   VAL  18           HA       VAL  18   6.788   7.517  -4.494
  125    HB   VAL  18           HB       VAL  18   6.622   5.877  -6.287
  126   HG11  VAL  18          HG11      VAL  18   8.908   5.912  -7.097
  127   HG12  VAL  18          HG12      VAL  18   9.493   6.285  -5.474
  128   HG13  VAL  18          HG13      VAL  18   8.491   7.450  -6.342
  129   HG21  VAL  18          HG21      VAL  18   8.395   4.159  -4.568
  130   HG22  VAL  18          HG22      VAL  18   7.968   3.819  -6.244
  131   HG23  VAL  18          HG23      VAL  18   6.717   3.841  -5.001
  132    H    GLU  19           H        GLU  19   4.706   6.647  -5.261
  133    HA   GLU  19           HA       GLU  19   3.310   5.450  -3.019
  134    HB2  GLU  19           HB2      GLU  19   2.477   7.469  -4.298
  135    HB3  GLU  19           HB3      GLU  19   2.161   6.392  -5.650
  136    HG2  GLU  19           HG2      GLU  19   1.003   5.480  -3.137
  137    HG3  GLU  19           HG3      GLU  19   0.397   7.044  -3.672
  138    H    ILE  20           H        ILE  20   2.584   3.415  -2.951
  139    HA   ILE  20           HA       ILE  20   2.930   1.701  -5.329
  140    HB   ILE  20           HB       ILE  20   3.869  -0.064  -3.852
  141   HG12  ILE  20          HG12      ILE  20   4.764   1.738  -1.764
  142   HG13  ILE  20          HG13      ILE  20   3.012   1.620  -1.813
  143   HG21  ILE  20          HG21      ILE  20   5.402   1.189  -5.192
  144   HG22  ILE  20          HG22      ILE  20   6.126   0.926  -3.607
  145   HG23  ILE  20          HG23      ILE  20   5.436   2.498  -4.012
  146   HD11  ILE  20          HD11      ILE  20   3.871   0.003  -0.284
  147   HD12  ILE  20          HD12      ILE  20   4.973  -0.634  -1.505
  148   HD13  ILE  20          HD13      ILE  20   3.231  -0.839  -1.696
  149    H    VAL  21           H        VAL  21   1.911  -0.385  -5.105
  150    HA   VAL  21           HA       VAL  21  -0.228  -0.507  -3.086
  151    HB   VAL  21           HB       VAL  21  -1.294  -0.517  -5.208
  152   HG11  VAL  21          HG11      VAL  21  -0.647  -1.952  -7.065
  153   HG12  VAL  21          HG12      VAL  21   0.681  -2.605  -6.106
  154   HG13  VAL  21          HG13      VAL  21   0.688  -0.906  -6.577
  155   HG21  VAL  21          HG21      VAL  21  -2.276  -2.755  -5.370
  156   HG22  VAL  21          HG22      VAL  21  -2.143  -2.223  -3.693
  157   HG23  VAL  21          HG23      VAL  21  -0.990  -3.389  -4.342
  158    HA   PRO  22           HA       PRO  22   2.782  -3.304  -1.387
  159    HB2  PRO  22           HB2      PRO  22   0.583  -4.003   0.470
  160    HB3  PRO  22           HB3      PRO  22   2.195  -3.400   0.819
  161    HG2  PRO  22           HG2      PRO  22   0.076  -1.828   1.080
  162    HG3  PRO  22           HG3      PRO  22   1.603  -1.199   0.431
  163    HD2  PRO  22           HD2      PRO  22  -0.889  -1.981  -1.023
  164    HD3  PRO  22           HD3      PRO  22   0.178  -0.587  -1.288
  165    H    ARG  23           H        ARG  23   3.299  -5.419  -1.506
  166    HA   ARG  23           HA       ARG  23   1.498  -7.274  -2.747
  167    HB2  ARG  23           HB2      ARG  23   4.196  -7.680  -1.434
  168    HB3  ARG  23           HB3      ARG  23   3.305  -8.944  -2.271
  169    HG2  ARG  23           HG2      ARG  23   3.390  -7.584  -4.332
  170    HG3  ARG  23           HG3      ARG  23   4.379  -6.403  -3.476
  171    HD2  ARG  23           HD2      ARG  23   6.107  -8.057  -3.127
  172    HD3  ARG  23           HD3      ARG  23   5.103  -9.302  -3.868
  173    HE   ARG  23           HE       ARG  23   5.377  -7.254  -5.725
  174   HH11  ARG  23          HH11      ARG  23   7.443  -9.575  -4.101
  175   HH12  ARG  23          HH12      ARG  23   8.572  -9.668  -5.414
  176   HH21  ARG  23          HH21      ARG  23   6.849  -7.374  -7.440
  177   HH22  ARG  23          HH22      ARG  23   8.231  -8.419  -7.323
  178    H    LEU  24           H        LEU  24  -0.183  -7.976  -1.657
  179    HA   LEU  24           HA       LEU  24  -0.638  -7.279   0.958
  180    HB2  LEU  24           HB2      LEU  24  -2.047  -8.487  -1.174
  181    HB3  LEU  24           HB3      LEU  24  -2.400  -9.357   0.300
  182    HG   LEU  24           HG       LEU  24  -3.955  -7.448  -0.254
  183   HD11  LEU  24          HD11      LEU  24  -2.493  -7.354   2.376
  184   HD12  LEU  24          HD12      LEU  24  -3.833  -8.426   1.973
  185   HD13  LEU  24          HD13      LEU  24  -4.095  -6.685   2.059
  186   HD21  LEU  24          HD21      LEU  24  -2.061  -5.946  -0.982
  187   HD22  LEU  24          HD22      LEU  24  -1.694  -5.724   0.731
  188   HD23  LEU  24          HD23      LEU  24  -3.255  -5.216   0.086
  189    HA   PRO  25           HA       PRO  25  -0.152 -12.079   2.158
  190    HB2  PRO  25           HB2      PRO  25   2.310 -12.369   0.491
  191    HB3  PRO  25           HB3      PRO  25   1.151 -13.604   0.994
  192    HG2  PRO  25           HG2      PRO  25   1.064 -12.664  -1.461
  193    HG3  PRO  25           HG3      PRO  25  -0.446 -12.889  -0.557
  194    HD2  PRO  25           HD2      PRO  25   1.051 -10.370  -1.150
  195    HD3  PRO  25           HD3      PRO  25  -0.695 -10.662  -1.098
  196    H    ASP  26           H        ASP  26   2.694 -10.094   1.304
  197    HA   ASP  26           HA       ASP  26   3.773 -10.595   3.991
  198    HB2  ASP  26           HB2      ASP  26   5.055  -9.733   1.417
  199    HB3  ASP  26           HB3      ASP  26   5.876  -9.512   2.954
  200    H    TYR  27           H        TYR  27   2.125  -8.276   2.252
  201    HA   TYR  27           HA       TYR  27   1.665  -6.075   2.468
  202    HB2  TYR  27           HB2      TYR  27   2.180  -6.981   5.227
  203    HB3  TYR  27           HB3      TYR  27   2.257  -5.241   4.977
  204    HD1  TYR  27           HD2      TYR  27   0.190  -4.535   3.212
  205    HD2  TYR  27           HD1      TYR  27   0.168  -7.641   6.121
  206    HE1  TYR  27           HE2      TYR  27  -2.256  -4.381   3.342
  207    HE2  TYR  27           HE1      TYR  27  -2.283  -7.500   6.259
  208    HH   TYR  27           HH       TYR  27  -4.056  -5.888   5.821
  209    H    ILE  28           H        ILE  28   4.147  -6.647   1.362
  210    HA   ILE  28           HA       ILE  28   5.888  -4.560   2.482
  211    HB   ILE  28           HB       ILE  28   7.674  -5.653   1.027
  212   HG12  ILE  28          HG12      ILE  28   5.646  -7.903   1.031
  213   HG13  ILE  28          HG13      ILE  28   6.118  -6.964  -0.376
  214   HG21  ILE  28          HG21      ILE  28   8.156  -7.378   2.689
  215   HG22  ILE  28          HG22      ILE  28   6.519  -7.223   3.327
  216   HG23  ILE  28          HG23      ILE  28   7.643  -5.867   3.442
  217   HD11  ILE  28          HD11      ILE  28   7.204  -9.139  -0.321
  218   HD12  ILE  28          HD12      ILE  28   7.936  -8.737   1.233
  219   HD13  ILE  28          HD13      ILE  28   8.377  -7.829  -0.213
  220    H    CYS  29           H        CYS  29   7.513  -4.113   0.402
  221    HA   CYS  29           HA       CYS  29   5.879  -2.499  -1.366
  222    HB2  CYS  29           HB2      CYS  29   7.948  -1.649  -0.261
  223    HB3  CYS  29           HB3      CYS  29   8.877  -2.842  -1.141
  224    HA   PRO  30           HA       PRO  30   6.280  -5.539  -4.599
  225    HB2  PRO  30           HB2      PRO  30   5.306  -4.124  -6.660
  226    HB3  PRO  30           HB3      PRO  30   4.262  -4.659  -5.338
  227    HG2  PRO  30           HG2      PRO  30   5.430  -1.966  -5.865
  228    HG3  PRO  30           HG3      PRO  30   3.831  -2.387  -5.232
  229    HD2  PRO  30           HD2      PRO  30   6.003  -1.577  -3.713
  230    HD3  PRO  30           HD3      PRO  30   4.591  -2.461  -3.087
  231    H    ARG  31           H        ARG  31   7.915  -2.606  -4.368
  232    HA   ARG  31           HA       ARG  31   9.507  -3.029  -6.767
  233    HB2  ARG  31           HB2      ARG  31   9.875  -0.729  -4.902
  234    HB3  ARG  31           HB3      ARG  31  10.082  -0.793  -6.642
  235    HG2  ARG  31           HG2      ARG  31   7.543  -1.138  -6.701
  236    HG3  ARG  31           HG3      ARG  31   7.574  -0.560  -5.048
  237    HD2  ARG  31           HD2      ARG  31   7.123   1.218  -6.682
  238    HD3  ARG  31           HD3      ARG  31   8.567   1.503  -5.723
  239    HE   ARG  31           HE       ARG  31   9.689   0.436  -7.833
  240   HH11  ARG  31          HH11      ARG  31   6.975   2.645  -7.788
  241   HH12  ARG  31          HH12      ARG  31   7.418   3.419  -9.273
  242   HH21  ARG  31          HH21      ARG  31  10.264   1.440  -9.797
  243   HH22  ARG  31          HH22      ARG  31   9.284   2.729 -10.420
  244    H    CYS  32           H        CYS  32  10.003  -2.520  -3.242
  245    HA   CYS  32           HA       CYS  32  12.710  -3.589  -3.669
  246    HB2  CYS  32           HB2      CYS  32  13.548  -2.197  -1.876
  247    HB3  CYS  32           HB3      CYS  32  12.732  -1.198  -3.071
  248    H    GLU  33           H        GLU  33   9.780  -4.204  -2.199
  249    HA   GLU  33           HA       GLU  33   9.032  -5.809  -0.770
  250    HB2  GLU  33           HB2      GLU  33  11.731  -7.032  -1.369
  251    HB3  GLU  33           HB3      GLU  33  10.360  -7.877  -0.666
  252    HG2  GLU  33           HG2      GLU  33   9.093  -7.649  -2.669
  253    HG3  GLU  33           HG3      GLU  33  10.294  -6.565  -3.368
  254    H    SER  34           H        SER  34  10.249  -3.570   0.450
  255    HA   SER  34           HA       SER  34  11.936  -4.596   2.574
  256    HB2  SER  34           HB2      SER  34  12.794  -2.583   1.756
  257    HB3  SER  34           HB3      SER  34  11.206  -1.828   1.642
  258    HG   SER  34           HG       SER  34  12.816  -1.379   3.512
  259    H    GLY  35           H        GLY  35   8.974  -2.606   2.420
  260    HA2  GLY  35           HA2      GLY  35   7.070  -3.483   3.745
  261    HA3  GLY  35           HA3      GLY  35   8.248  -3.759   5.014
  262    H    PHE  36           H        PHE  36   9.611  -1.205   4.246
  263    HA   PHE  36           HA       PHE  36   8.251   0.553   6.004
  264    HB2  PHE  36           HB2      PHE  36  10.591   0.825   4.156
  265    HB3  PHE  36           HB3      PHE  36   9.898   2.258   4.906
  266    HD1  PHE  36           HD2      PHE  36  11.593  -0.947   5.566
  267    HD2  PHE  36           HD1      PHE  36  10.205   2.733   7.175
  268    HE1  PHE  36           HE2      PHE  36  12.880  -1.371   7.620
  269    HE2  PHE  36           HE1      PHE  36  11.486   2.320   9.240
  270    HZ   PHE  36           HZ       PHE  36  12.826   0.265   9.462
  271    H    ILE  37           H        ILE  37   6.136   0.747   5.188
  272    HA   ILE  37           HA       ILE  37   5.899   2.647   2.974
  273    HB   ILE  37           HB       ILE  37   3.926   1.452   2.110
  274   HG12  ILE  37          HG12      ILE  37   4.723  -0.622   4.152
  275   HG13  ILE  37          HG13      ILE  37   3.182   0.184   3.993
  276   HG21  ILE  37          HG21      ILE  37   5.961   1.161   0.952
  277   HG22  ILE  37          HG22      ILE  37   5.211  -0.434   1.069
  278   HG23  ILE  37          HG23      ILE  37   6.548  -0.006   2.138
  279   HD11  ILE  37          HD11      ILE  37   3.150  -2.166   3.241
  280   HD12  ILE  37          HD12      ILE  37   4.299  -1.745   1.971
  281   HD13  ILE  37          HD13      ILE  37   2.690  -1.025   1.980
  282    H    GLU  38           H        GLU  38   4.110   4.003   3.063
  283    HA   GLU  38           HA       GLU  38   2.715   4.008   5.655
  284    HB2  GLU  38           HB2      GLU  38   3.629   6.254   3.893
  285    HB3  GLU  38           HB3      GLU  38   2.347   6.491   5.074
  286    HG2  GLU  38           HG2      GLU  38   3.957   5.641   6.812
  287    HG3  GLU  38           HG3      GLU  38   5.211   5.744   5.575
  288    H    GLU  39           H        GLU  39   0.596   3.869   5.670
  289    HA   GLU  39           HA       GLU  39  -0.857   3.562   3.213
  290    HB2  GLU  39           HB2      GLU  39  -1.194   2.213   5.331
  291    HB3  GLU  39           HB3      GLU  39  -1.924   3.639   6.041
  292    HG2  GLU  39           HG2      GLU  39  -2.965   2.434   3.506
  293    HG3  GLU  39           HG3      GLU  39  -3.453   1.834   5.088
  294    H    LEU  40           H        LEU  40  -1.790   5.157   2.158
  295    HA   LEU  40           HA       LEU  40  -1.602   7.831   3.261
  296    HB2  LEU  40           HB2      LEU  40  -2.372   6.877   0.515
  297    HB3  LEU  40           HB3      LEU  40  -2.159   8.554   0.967
  298    HG   LEU  40           HG       LEU  40   0.023   6.468   1.035
  299   HD11  LEU  40          HD11      LEU  40  -0.553   8.630  -0.972
  300   HD12  LEU  40          HD12      LEU  40  -0.636   6.887  -1.237
  301   HD13  LEU  40          HD13      LEU  40   0.916   7.657  -0.914
  302   HD21  LEU  40          HD21      LEU  40   0.093   9.458   1.410
  303   HD22  LEU  40          HD22      LEU  40   1.505   8.407   1.308
  304   HD23  LEU  40          HD23      LEU  40   0.378   8.241   2.653
  Start of MODEL    5
    1    H1   GLY  -1           H1       GLY  -1  -8.819  -4.391  -5.889
    2    H2   GLY  -1           H2       GLY  -1  -7.404  -3.952  -5.079
    3    H3   GLY  -1           H3       GLY  -1  -7.354  -4.323  -6.726
    4    HA2  GLY  -1           HA3      GLY  -1  -7.232  -1.940  -6.402
    5    HA3  GLY  -1           HA2      GLY  -1  -8.699  -2.402  -7.251
    6    H    SER   0           H        SER   0  -9.404  -0.253  -6.489
    7    HA   SER   0           HA       SER   0  -9.884   0.119  -3.682
    8    HB2  SER   0           HB2      SER   0 -10.937   1.685  -6.050
    9    HB3  SER   0           HB3      SER   0 -10.956   2.206  -4.366
   10    HG   SER   0           HG       SER   0  -8.965   2.828  -4.568
   11    H    MET   1           H        MET   1 -11.386  -1.052  -2.691
   12    HA   MET   1           HA       MET   1 -14.040  -1.260  -3.929
   13    HB2  MET   1           HB2      MET   1 -12.500  -3.503  -2.612
   14    HB3  MET   1           HB3      MET   1 -14.217  -3.578  -2.982
   15    HG2  MET   1           HG2      MET   1 -13.738  -3.348  -5.349
   16    HG3  MET   1           HG3      MET   1 -12.016  -3.209  -5.000
   17    HE1  MET   1           HE1      MET   1 -12.394  -6.749  -6.705
   18    HE2  MET   1           HE2      MET   1 -11.645  -5.158  -6.819
   19    HE3  MET   1           HE3      MET   1 -13.384  -5.333  -7.054
   20    H    ALA   2           H        ALA   2 -14.529   0.518  -2.501
   21    HA   ALA   2           HA       ALA   2 -14.676  -0.200   0.343
   22    HB1  ALA   2           HB1      ALA   2 -13.659   1.969  -0.186
   23    HB2  ALA   2           HB2      ALA   2 -15.140   2.159   0.753
   24    HB3  ALA   2           HB3      ALA   2 -15.150   2.471  -0.984
   25    H    GLU   3           H        GLU   3 -16.402  -1.096  -1.985
   26    HA   GLU   3           HA       GLU   3 -18.954   0.130  -1.568
   27    HB2  GLU   3           HB2      GLU   3 -19.626  -1.938  -3.072
   28    HB3  GLU   3           HB3      GLU   3 -18.811  -0.537  -3.744
   29    HG2  GLU   3           HG2      GLU   3 -17.797  -2.492  -4.639
   30    HG3  GLU   3           HG3      GLU   3 -16.655  -1.749  -3.525
   31    H    ALA   4           H        ALA   4 -17.335  -2.711  -0.380
   32    HA   ALA   4           HA       ALA   4 -19.507  -3.096   1.527
   33    HB1  ALA   4           HB1      ALA   4 -18.490  -5.346  -0.207
   34    HB2  ALA   4           HB2      ALA   4 -20.079  -4.589  -0.322
   35    HB3  ALA   4           HB3      ALA   4 -19.639  -5.499   1.123
   36    H    SER   5           H        SER   5 -16.299  -4.088   0.408
   37    HA   SER   5           HA       SER   5 -15.511  -4.394   3.226
   38    HB2  SER   5           HB2      SER   5 -15.769  -6.613   2.179
   39    HB3  SER   5           HB3      SER   5 -14.639  -6.146   0.912
   40    HG   SER   5           HG       SER   5 -14.071  -6.357   3.691
   41    HA   PRO   6           HA       PRO   6 -12.778  -1.287   1.174
   42    HB2  PRO   6           HB2      PRO   6 -12.775  -0.031   3.813
   43    HB3  PRO   6           HB3      PRO   6 -13.278   0.641   2.262
   44    HG2  PRO   6           HG2      PRO   6 -15.035   0.052   4.233
   45    HG3  PRO   6           HG3      PRO   6 -15.451  -0.060   2.514
   46    HD2  PRO   6           HD2      PRO   6 -14.725  -2.237   4.435
   47    HD3  PRO   6           HD3      PRO   6 -15.970  -2.221   3.167
   48    H    HIS   7           H        HIS   7 -10.603  -1.346   1.194
   49    HA   HIS   7           HA       HIS   7  -9.215  -2.248   3.600
   50    HB2  HIS   7           HB2      HIS   7  -7.963  -3.953   2.443
   51    HB3  HIS   7           HB3      HIS   7  -9.666  -4.271   2.200
   52    HD1  HIS   7           HD1      HIS   7  -6.561  -3.244   0.376
   53    HD2  HIS   7           HD2      HIS   7 -10.553  -4.081  -0.452
   54    HE1  HIS   7           HE1      HIS   7  -6.705  -3.456  -2.125
   55    HE2  HIS   7           HE2      HIS   7  -9.150  -3.828  -2.613
   56    HA   PRO   8           HA       PRO   8  -6.230   0.737   2.244
   57    HB2  PRO   8           HB2      PRO   8  -3.954  -0.343   3.300
   58    HB3  PRO   8           HB3      PRO   8  -5.137   0.554   4.245
   59    HG2  PRO   8           HG2      PRO   8  -4.682  -2.371   4.043
   60    HG3  PRO   8           HG3      PRO   8  -5.205  -1.406   5.430
   61    HD2  PRO   8           HD2      PRO   8  -6.862  -2.938   3.881
   62    HD3  PRO   8           HD3      PRO   8  -7.393  -1.552   4.842
   63    H    GLY   9           H        GLY   9  -4.692   1.047   0.601
   64    HA2  GLY   9           HA2      GLY   9  -3.544  -1.251  -0.730
   65    HA3  GLY   9           HA3      GLY   9  -4.824  -0.461  -1.635
   66    H    ARG  10           H        ARG  10  -4.297   2.189  -0.886
   67    HA   ARG  10           HA       ARG  10  -2.018   2.755  -2.543
   68    HB2  ARG  10           HB2      ARG  10  -2.626   5.146  -2.023
   69    HB3  ARG  10           HB3      ARG  10  -3.880   4.207  -2.812
   70    HG2  ARG  10           HG2      ARG  10  -5.130   4.014  -0.848
   71    HG3  ARG  10           HG3      ARG  10  -3.794   4.560   0.162
   72    HD2  ARG  10           HD2      ARG  10  -5.022   6.485   0.044
   73    HD3  ARG  10           HD3      ARG  10  -3.992   6.685  -1.369
   74    HE   ARG  10           HE       ARG  10  -5.962   5.618  -2.608
   75   HH11  ARG  10          HH11      ARG  10  -6.261   7.736   0.160
   76   HH12  ARG  10          HH12      ARG  10  -7.822   8.333  -0.303
   77   HH21  ARG  10          HH21      ARG  10  -8.018   6.413  -3.230
   78   HH22  ARG  10          HH22      ARG  10  -8.823   7.580  -2.227
   79    H    TYR  11           H        TYR  11  -0.036   2.669  -1.763
   80    HA   TYR  11           HA       TYR  11   0.419   3.635   0.978
   81    HB2  TYR  11           HB2      TYR  11   1.397   1.146  -0.350
   82    HB3  TYR  11           HB3      TYR  11   2.417   1.939   0.842
   83    HD1  TYR  11           HD2      TYR  11  -1.094   0.731   0.430
   84    HD2  TYR  11           HD1      TYR  11   2.197   1.353   3.041
   85    HE1  TYR  11           HE2      TYR  11  -2.315  -0.394   2.235
   86    HE2  TYR  11           HE1      TYR  11   0.996   0.235   4.853
   87    HH   TYR  11           HH       TYR  11  -1.283  -0.291   5.499
   88    H    PHE  12           H        PHE  12   2.628   4.298   1.388
   89    HA   PHE  12           HA       PHE  12   4.046   5.186  -1.026
   90    HB2  PHE  12           HB2      PHE  12   2.755   6.989   0.277
   91    HB3  PHE  12           HB3      PHE  12   3.983   6.785   1.524
   92    HD1  PHE  12           HD2      PHE  12   3.299   7.853  -1.885
   93    HD2  PHE  12           HD1      PHE  12   6.221   7.577   1.193
   94    HE1  PHE  12           HE2      PHE  12   4.766   9.386  -3.142
   95    HE2  PHE  12           HE1      PHE  12   7.704   9.103  -0.062
   96    HZ   PHE  12           HZ       PHE  12   6.962  10.011  -2.229
   97    H    CYS  13           H        CYS  13   5.894   4.107  -1.100
   98    HA   CYS  13           HA       CYS  13   7.009   2.881   1.248
   99    HB2  CYS  13           HB2      CYS  13   7.157   1.677  -0.837
  100    HB3  CYS  13           HB3      CYS  13   7.972   3.027  -1.611
  101    H    HIS  14           H        HIS  14   8.635   3.559   2.480
  102    HA   HIS  14           HA       HIS  14   9.697   6.214   2.106
  103    HB2  HIS  14           HB2      HIS  14   9.884   4.104   4.209
  104    HB3  HIS  14           HB3      HIS  14  11.148   5.330   4.156
  105    HD1  HIS  14           HD1      HIS  14  10.659   7.118   5.767
  106    HD2  HIS  14           HD2      HIS  14   7.198   5.648   4.004
  107    HE1  HIS  14           HE1      HIS  14   8.780   8.475   6.735
  108    HE2  HIS  14           HE2      HIS  14   6.722   7.708   5.493
  109    H    CYS  15           H        CYS  15  10.747   2.936   1.688
  110    HA   CYS  15           HA       CYS  15  13.511   3.425   1.371
  111    HB2  CYS  15           HB2      CYS  15  11.865   1.157   0.235
  112    HB3  CYS  15           HB3      CYS  15  13.587   1.130   0.583
  113    HG   CYS  15           HG       CYS  15  13.071  -0.146   2.767
  114    H    CYS  16           H        CYS  16  10.796   3.319  -0.880
  115    HA   CYS  16           HA       CYS  16  12.590   3.913  -3.123
  116    HB2  CYS  16           HB2      CYS  16   9.646   3.232  -3.112
  117    HB3  CYS  16           HB3      CYS  16  10.607   3.534  -4.546
  118    H    SER  17           H        SER  17  10.570   5.420  -0.936
  119    HA   SER  17           HA       SER  17   9.401   7.329  -0.745
  120    HB2  SER  17           HB2      SER  17  10.512   9.380  -1.629
  121    HB3  SER  17           HB3      SER  17  11.558   8.341  -0.669
  122    HG   SER  17           HG       SER  17  11.710   7.624  -3.256
  123    H    VAL  18           H        VAL  18   8.297   5.678  -2.629
  124    HA   VAL  18           HA       VAL  18   6.988   7.637  -4.368
  125    HB   VAL  18           HB       VAL  18   6.883   6.085  -6.234
  126   HG11  VAL  18          HG11      VAL  18   9.208   6.116  -6.948
  127   HG12  VAL  18          HG12      VAL  18   9.721   6.434  -5.291
  128   HG13  VAL  18          HG13      VAL  18   8.764   7.633  -6.165
  129   HG21  VAL  18          HG21      VAL  18   8.582   4.270  -4.537
  130   HG22  VAL  18          HG22      VAL  18   8.204   4.010  -6.239
  131   HG23  VAL  18          HG23      VAL  18   6.916   3.989  -5.036
  132    H    GLU  19           H        GLU  19   4.932   6.796  -5.231
  133    HA   GLU  19           HA       GLU  19   3.442   5.575  -3.077
  134    HB2  GLU  19           HB2      GLU  19   2.778   7.521  -4.761
  135    HB3  GLU  19           HB3      GLU  19   2.199   6.170  -5.722
  136    HG2  GLU  19           HG2      GLU  19   0.965   5.458  -3.618
  137    HG3  GLU  19           HG3      GLU  19   1.308   7.069  -3.016
  138    H    ILE  20           H        ILE  20   2.675   3.532  -3.018
  139    HA   ILE  20           HA       ILE  20   3.101   1.789  -5.354
  140    HB   ILE  20           HB       ILE  20   4.054   0.044  -3.893
  141   HG12  ILE  20          HG12      ILE  20   4.817   1.844  -1.739
  142   HG13  ILE  20          HG13      ILE  20   3.076   1.622  -1.841
  143   HG21  ILE  20          HG21      ILE  20   5.596   2.632  -3.876
  144   HG22  ILE  20          HG22      ILE  20   5.576   1.427  -5.164
  145   HG23  ILE  20          HG23      ILE  20   6.281   1.030  -3.598
  146   HD11  ILE  20          HD11      ILE  20   4.017   0.023  -0.323
  147   HD12  ILE  20          HD12      ILE  20   5.149  -0.537  -1.556
  148   HD13  ILE  20          HD13      ILE  20   3.418  -0.813  -1.755
  149    H    VAL  21           H        VAL  21   2.114  -0.319  -5.083
  150    HA   VAL  21           HA       VAL  21  -0.061  -0.425  -3.103
  151    HB   VAL  21           HB       VAL  21  -1.093  -0.374  -5.257
  152   HG11  VAL  21          HG11      VAL  21  -0.479  -1.856  -7.091
  153   HG12  VAL  21          HG12      VAL  21   0.817  -2.543  -6.111
  154   HG13  VAL  21          HG13      VAL  21   0.885  -0.848  -6.599
  155   HG21  VAL  21          HG21      VAL  21  -2.160  -2.579  -5.414
  156   HG22  VAL  21          HG22      VAL  21  -2.040  -2.026  -3.744
  157   HG23  VAL  21          HG23      VAL  21  -0.922  -3.247  -4.350
  158    HA   PRO  22           HA       PRO  22   2.883  -3.378  -1.540
  159    HB2  PRO  22           HB2      PRO  22   0.807  -4.006   0.446
  160    HB3  PRO  22           HB3      PRO  22   2.430  -3.370   0.682
  161    HG2  PRO  22           HG2      PRO  22   0.268  -1.847   1.036
  162    HG3  PRO  22           HG3      PRO  22   1.770  -1.190   0.358
  163    HD2  PRO  22           HD2      PRO  22  -0.742  -2.003  -1.048
  164    HD3  PRO  22           HD3      PRO  22   0.291  -0.585  -1.318
  165    H    ARG  23           H        ARG  23   3.224  -5.553  -1.483
  166    HA   ARG  23           HA       ARG  23   1.260  -7.299  -2.661
  167    HB2  ARG  23           HB2      ARG  23   3.937  -7.870  -1.361
  168    HB3  ARG  23           HB3      ARG  23   2.956  -9.067  -2.190
  169    HG2  ARG  23           HG2      ARG  23   3.170  -7.804  -4.271
  170    HG3  ARG  23           HG3      ARG  23   4.155  -6.605  -3.436
  171    HD2  ARG  23           HD2      ARG  23   5.783  -8.388  -2.902
  172    HD3  ARG  23           HD3      ARG  23   4.818  -9.514  -3.852
  173    HE   ARG  23           HE       ARG  23   5.293  -7.523  -5.605
  174   HH11  ARG  23          HH11      ARG  23   7.361  -9.453  -3.556
  175   HH12  ARG  23          HH12      ARG  23   8.752  -9.291  -4.579
  176   HH21  ARG  23          HH21      ARG  23   7.110  -7.313  -6.974
  177   HH22  ARG  23          HH22      ARG  23   8.614  -8.059  -6.525
  178    H    LEU  24           H        LEU  24  -0.467  -7.703  -1.455
  179    HA   LEU  24           HA       LEU  24  -0.758  -6.970   1.155
  180    HB2  LEU  24           HB2      LEU  24  -2.316  -8.257  -0.882
  181    HB3  LEU  24           HB3      LEU  24  -2.726  -8.844   0.708
  182    HG   LEU  24           HG       LEU  24  -4.058  -6.868  -0.164
  183   HD11  LEU  24          HD11      LEU  24  -4.134  -5.787   2.025
  184   HD12  LEU  24          HD12      LEU  24  -2.649  -6.622   2.481
  185   HD13  LEU  24          HD13      LEU  24  -4.119  -7.544   2.161
  186   HD21  LEU  24          HD21      LEU  24  -1.577  -5.346   0.614
  187   HD22  LEU  24          HD22      LEU  24  -3.099  -4.681   0.019
  188   HD23  LEU  24          HD23      LEU  24  -2.083  -5.647  -1.049
  189    HA   PRO  25           HA       PRO  25  -0.532 -11.726   2.497
  190    HB2  PRO  25           HB2      PRO  25   1.695 -12.395   0.630
  191    HB3  PRO  25           HB3      PRO  25   0.421 -13.436   1.272
  192    HG2  PRO  25           HG2      PRO  25   0.274 -12.568  -1.212
  193    HG3  PRO  25           HG3      PRO  25  -1.178 -12.566  -0.191
  194    HD2  PRO  25           HD2      PRO  25   0.598 -10.285  -0.962
  195    HD3  PRO  25           HD3      PRO  25  -1.166 -10.344  -0.825
  196    H    ASP  26           H        ASP  26   2.191  -9.759   1.399
  197    HA   ASP  26           HA       ASP  26   3.632 -10.468   3.874
  198    HB2  ASP  26           HB2      ASP  26   4.654  -9.625   1.171
  199    HB3  ASP  26           HB3      ASP  26   5.669  -9.577   2.607
  200    H    TYR  27           H        TYR  27   1.979  -8.025   2.311
  201    HA   TYR  27           HA       TYR  27   1.784  -5.786   2.469
  202    HB2  TYR  27           HB2      TYR  27   2.444  -6.630   5.240
  203    HB3  TYR  27           HB3      TYR  27   2.497  -4.907   4.882
  204    HD1  TYR  27           HD2      TYR  27   0.316  -4.345   3.176
  205    HD2  TYR  27           HD1      TYR  27   0.494  -7.192   6.335
  206    HE1  TYR  27           HE2      TYR  27  -2.118  -4.191   3.441
  207    HE2  TYR  27           HE1      TYR  27  -1.946  -7.052   6.604
  208    HH   TYR  27           HH       TYR  27  -3.760  -5.419   6.121
  209    H    ILE  28           H        ILE  28   4.223  -6.702   1.331
  210    HA   ILE  28           HA       ILE  28   6.121  -4.673   2.269
  211    HB   ILE  28           HB       ILE  28   7.783  -5.854   0.810
  212   HG12  ILE  28          HG12      ILE  28   5.634  -7.986   0.724
  213   HG13  ILE  28          HG13      ILE  28   6.139  -7.005  -0.642
  214   HG21  ILE  28          HG21      ILE  28   7.750  -6.175   3.210
  215   HG22  ILE  28          HG22      ILE  28   8.152  -7.688   2.398
  216   HG23  ILE  28          HG23      ILE  28   6.532  -7.440   3.050
  217   HD11  ILE  28          HD11      ILE  28   7.123  -9.216  -0.735
  218   HD12  ILE  28          HD12      ILE  28   7.857  -8.972   0.850
  219   HD13  ILE  28          HD13      ILE  28   8.368  -7.987  -0.520
  220    H    CYS  29           H        CYS  29   7.630  -4.181   0.228
  221    HA   CYS  29           HA       CYS  29   5.958  -2.526  -1.471
  222    HB2  CYS  29           HB2      CYS  29   7.981  -1.671  -0.296
  223    HB3  CYS  29           HB3      CYS  29   8.961  -2.788  -1.217
  224    HA   PRO  30           HA       PRO  30   6.481  -5.347  -4.883
  225    HB2  PRO  30           HB2      PRO  30   5.567  -3.798  -6.875
  226    HB3  PRO  30           HB3      PRO  30   4.484  -4.435  -5.632
  227    HG2  PRO  30           HG2      PRO  30   5.657  -1.702  -5.908
  228    HG3  PRO  30           HG3      PRO  30   4.027  -2.172  -5.398
  229    HD2  PRO  30           HD2      PRO  30   6.073  -1.466  -3.689
  230    HD3  PRO  30           HD3      PRO  30   4.673  -2.459  -3.227
  231    H    ARG  31           H        ARG  31   8.071  -2.374  -4.473
  232    HA   ARG  31           HA       ARG  31   9.746  -2.713  -6.827
  233    HB2  ARG  31           HB2      ARG  31  10.035  -0.461  -4.892
  234    HB3  ARG  31           HB3      ARG  31  10.300  -0.478  -6.623
  235    HG2  ARG  31           HG2      ARG  31   7.680  -0.975  -6.569
  236    HG3  ARG  31           HG3      ARG  31   7.833  -0.059  -5.079
  237    HD2  ARG  31           HD2      ARG  31   7.320   1.437  -6.872
  238    HD3  ARG  31           HD3      ARG  31   8.965   1.726  -6.330
  239    HE   ARG  31           HE       ARG  31   9.655   0.339  -8.304
  240   HH11  ARG  31          HH11      ARG  31   6.602   2.054  -8.300
  241   HH12  ARG  31          HH12      ARG  31   6.554   2.228 -10.021
  242   HH21  ARG  31          HH21      ARG  31   9.589   0.570 -10.576
  243   HH22  ARG  31          HH22      ARG  31   8.254   1.396 -11.314
  244    H    CYS  32           H        CYS  32  10.050  -2.548  -3.265
  245    HA   CYS  32           HA       CYS  32  12.803  -3.512  -3.642
  246    HB2  CYS  32           HB2      CYS  32  13.581  -2.184  -1.783
  247    HB3  CYS  32           HB3      CYS  32  12.807  -1.148  -2.974
  248    H    GLU  33           H        GLU  33   9.836  -4.175  -2.264
  249    HA   GLU  33           HA       GLU  33   9.061  -5.812  -0.896
  250    HB2  GLU  33           HB2      GLU  33  11.791  -7.007  -1.400
  251    HB3  GLU  33           HB3      GLU  33  10.397  -7.870  -0.771
  252    HG2  GLU  33           HG2      GLU  33   9.209  -7.570  -2.835
  253    HG3  GLU  33           HG3      GLU  33  10.494  -6.543  -3.468
  254    H    SER  34           H        SER  34  10.220  -3.570   0.391
  255    HA   SER  34           HA       SER  34  11.831  -4.633   2.561
  256    HB2  SER  34           HB2      SER  34  12.775  -2.661   1.713
  257    HB3  SER  34           HB3      SER  34  11.224  -1.830   1.632
  258    HG   SER  34           HG       SER  34  12.969  -2.157   3.752
  259    H    GLY  35           H        GLY  35   8.960  -2.511   2.332
  260    HA2  GLY  35           HA2      GLY  35   6.967  -3.290   3.543
  261    HA3  GLY  35           HA3      GLY  35   8.064  -3.763   4.825
  262    H    PHE  36           H        PHE  36   9.562  -1.138   4.139
  263    HA   PHE  36           HA       PHE  36   8.220   0.516   6.041
  264    HB2  PHE  36           HB2      PHE  36  10.612   0.871   4.278
  265    HB3  PHE  36           HB3      PHE  36   9.913   2.267   5.089
  266    HD1  PHE  36           HD2      PHE  36  10.933  -1.226   5.903
  267    HD2  PHE  36           HD1      PHE  36  10.771   2.847   7.105
  268    HE1  PHE  36           HE2      PHE  36  12.159  -1.794   7.957
  269    HE2  PHE  36           HE1      PHE  36  11.994   2.290   9.172
  270    HZ   PHE  36           HZ       PHE  36  12.690  -0.033   9.597
  271    H    ILE  37           H        ILE  37   6.133   0.774   5.189
  272    HA   ILE  37           HA       ILE  37   5.947   2.676   2.968
  273    HB   ILE  37           HB       ILE  37   3.993   1.420   2.080
  274   HG12  ILE  37          HG12      ILE  37   4.891  -0.634   4.106
  275   HG13  ILE  37          HG13      ILE  37   3.312   0.107   3.966
  276   HG21  ILE  37          HG21      ILE  37   6.042   1.217   0.922
  277   HG22  ILE  37          HG22      ILE  37   5.373  -0.414   1.045
  278   HG23  ILE  37          HG23      ILE  37   6.684   0.088   2.115
  279   HD11  ILE  37          HD11      ILE  37   2.888  -1.086   1.913
  280   HD12  ILE  37          HD12      ILE  37   3.349  -2.219   3.182
  281   HD13  ILE  37          HD13      ILE  37   4.514  -1.764   1.938
  282    H    GLU  38           H        GLU  38   4.088   3.976   2.974
  283    HA   GLU  38           HA       GLU  38   2.704   4.046   5.570
  284    HB2  GLU  38           HB2      GLU  38   3.529   6.247   3.707
  285    HB3  GLU  38           HB3      GLU  38   2.306   6.497   4.944
  286    HG2  GLU  38           HG2      GLU  38   4.001   5.724   6.623
  287    HG3  GLU  38           HG3      GLU  38   5.195   5.780   5.327
  288    H    GLU  39           H        GLU  39   0.630   3.642   5.567
  289    HA   GLU  39           HA       GLU  39  -0.882   3.347   3.162
  290    HB2  GLU  39           HB2      GLU  39  -1.133   1.981   5.275
  291    HB3  GLU  39           HB3      GLU  39  -1.872   3.385   6.019
  292    HG2  GLU  39           HG2      GLU  39  -2.992   2.298   3.483
  293    HG3  GLU  39           HG3      GLU  39  -3.331   1.488   5.011
  294    H    LEU  40           H        LEU  40  -1.788   4.944   2.099
  295    HA   LEU  40           HA       LEU  40  -1.711   7.609   3.184
  296    HB2  LEU  40           HB2      LEU  40  -2.692   6.613   0.521
  297    HB3  LEU  40           HB3      LEU  40  -2.483   8.297   0.948
  298    HG   LEU  40           HG       LEU  40  -0.284   6.244   0.726
  299   HD11  LEU  40          HD11      LEU  40   0.432   7.605  -1.185
  300   HD12  LEU  40          HD12      LEU  40  -1.049   8.552  -1.034
  301   HD13  LEU  40          HD13      LEU  40  -1.134   6.834  -1.428
  302   HD21  LEU  40          HD21      LEU  40   1.224   8.174   1.011
  303   HD22  LEU  40          HD22      LEU  40   0.250   7.862   2.446
  304   HD23  LEU  40          HD23      LEU  40  -0.174   9.189   1.364
  Start of MODEL    6
    1    H1   GLY  -1           H1       GLY  -1 -22.938  15.035   4.660
    2    H2   GLY  -1           H2       GLY  -1 -23.404  14.736   3.065
    3    H3   GLY  -1           H3       GLY  -1 -22.033  13.979   3.700
    4    HA2  GLY  -1           HA3      GLY  -1 -23.369  12.717   5.237
    5    HA3  GLY  -1           HA2      GLY  -1 -24.806  13.552   4.663
    6    H    SER   0           H        SER   0 -22.036  11.858   3.189
    7    HA   SER   0           HA       SER   0 -23.932  10.178   1.733
    8    HB2  SER   0           HB2      SER   0 -21.644  11.688   0.450
    9    HB3  SER   0           HB3      SER   0 -22.652  10.487  -0.360
   10    HG   SER   0           HG       SER   0 -24.465  11.863   0.157
   11    H    MET   1           H        MET   1 -23.397   8.413   2.931
   12    HA   MET   1           HA       MET   1 -20.640   7.662   3.344
   13    HB2  MET   1           HB2      MET   1 -23.241   6.264   4.001
   14    HB3  MET   1           HB3      MET   1 -21.658   5.611   4.391
   15    HG2  MET   1           HG2      MET   1 -22.538   6.634   6.346
   16    HG3  MET   1           HG3      MET   1 -21.222   7.639   5.753
   17    HE1  MET   1           HE1      MET   1 -21.973   9.645   7.254
   18    HE2  MET   1           HE2      MET   1 -23.295   8.681   7.912
   19    HE3  MET   1           HE3      MET   1 -23.608  10.301   7.292
   20    H    ALA   2           H        ALA   2 -19.930   7.467   1.191
   21    HA   ALA   2           HA       ALA   2 -21.182   5.389  -0.445
   22    HB1  ALA   2           HB1      ALA   2 -20.774   7.567  -1.502
   23    HB2  ALA   2           HB2      ALA   2 -19.846   6.284  -2.278
   24    HB3  ALA   2           HB3      ALA   2 -19.051   7.400  -1.168
   25    H    GLU   3           H        GLU   3 -18.352   6.186   1.356
   26    HA   GLU   3           HA       GLU   3 -17.381   3.485   0.872
   27    HB2  GLU   3           HB2      GLU   3 -15.882   5.094  -0.227
   28    HB3  GLU   3           HB3      GLU   3 -15.666   5.934   1.302
   29    HG2  GLU   3           HG2      GLU   3 -13.780   4.493   0.787
   30    HG3  GLU   3           HG3      GLU   3 -14.605   3.986   2.260
   31    H    ALA   4           H        ALA   4 -18.002   2.451   2.654
   32    HA   ALA   4           HA       ALA   4 -17.636   3.769   5.252
   33    HB1  ALA   4           HB1      ALA   4 -19.196   2.119   6.133
   34    HB2  ALA   4           HB2      ALA   4 -19.275   1.331   4.558
   35    HB3  ALA   4           HB3      ALA   4 -19.900   2.969   4.758
   36    H    SER   5           H        SER   5 -15.969   1.815   3.257
   37    HA   SER   5           HA       SER   5 -14.685   0.413   5.503
   38    HB2  SER   5           HB2      SER   5 -14.967  -0.658   2.686
   39    HB3  SER   5           HB3      SER   5 -14.266  -1.496   4.070
   40    HG   SER   5           HG       SER   5 -16.967  -0.787   3.617
   41    HA   PRO   6           HA       PRO   6 -11.465   3.146   3.708
   42    HB2  PRO   6           HB2      PRO   6 -10.247   2.498   6.327
   43    HB3  PRO   6           HB3      PRO   6 -10.511   4.071   5.570
   44    HG2  PRO   6           HG2      PRO   6 -12.000   3.287   7.636
   45    HG3  PRO   6           HG3      PRO   6 -12.711   4.197   6.289
   46    HD2  PRO   6           HD2      PRO   6 -12.829   1.257   6.859
   47    HD3  PRO   6           HD3      PRO   6 -14.116   2.348   6.299
   48    H    HIS   7           H        HIS   7 -10.990   1.425   2.218
   49    HA   HIS   7           HA       HIS   7  -9.421  -0.812   3.140
   50    HB2  HIS   7           HB2      HIS   7 -11.093  -1.252   1.499
   51    HB3  HIS   7           HB3      HIS   7 -10.460  -0.024   0.429
   52    HD1  HIS   7           HD1      HIS   7  -9.886  -3.535   1.570
   53    HD2  HIS   7           HD2      HIS   7  -8.316  -0.828  -1.166
   54    HE1  HIS   7           HE1      HIS   7  -8.400  -4.883   0.061
   55    HE2  HIS   7           HE2      HIS   7  -7.627  -3.259  -1.700
   56    HA   PRO   8           HA       PRO   8  -5.591   1.193   2.186
   57    HB2  PRO   8           HB2      PRO   8  -4.102  -1.140   2.723
   58    HB3  PRO   8           HB3      PRO   8  -4.493   0.146   3.861
   59    HG2  PRO   8           HG2      PRO   8  -5.423  -2.505   3.920
   60    HG3  PRO   8           HG3      PRO   8  -6.010  -1.157   4.906
   61    HD2  PRO   8           HD2      PRO   8  -7.187  -2.364   2.463
   62    HD3  PRO   8           HD3      PRO   8  -7.982  -1.530   3.808
   63    H    GLY   9           H        GLY   9  -4.772   1.543   0.222
   64    HA2  GLY   9           HA2      GLY   9  -4.003  -0.738  -1.431
   65    HA3  GLY   9           HA3      GLY   9  -5.135   0.414  -2.126
   66    H    ARG  10           H        ARG  10  -4.336   2.779  -1.579
   67    HA   ARG  10           HA       ARG  10  -1.836   3.150  -2.899
   68    HB2  ARG  10           HB2      ARG  10  -2.247   5.581  -2.311
   69    HB3  ARG  10           HB3      ARG  10  -3.491   4.807  -3.283
   70    HG2  ARG  10           HG2      ARG  10  -5.003   4.741  -1.530
   71    HG3  ARG  10           HG3      ARG  10  -3.748   4.917  -0.307
   72    HD2  ARG  10           HD2      ARG  10  -4.275   7.074  -0.255
   73    HD3  ARG  10           HD3      ARG  10  -3.520   7.206  -1.839
   74    HE   ARG  10           HE       ARG  10  -5.783   6.791  -2.771
   75   HH11  ARG  10          HH11      ARG  10  -5.466   7.963   0.513
   76   HH12  ARG  10          HH12      ARG  10  -6.982   8.810   0.490
   77   HH21  ARG  10          HH21      ARG  10  -7.804   7.884  -2.789
   78   HH22  ARG  10          HH22      ARG  10  -8.312   8.754  -1.377
   79    H    TYR  11           H        TYR  11   0.009   2.700  -1.907
   80    HA   TYR  11           HA       TYR  11   0.374   3.684   0.849
   81    HB2  TYR  11           HB2      TYR  11   1.358   1.200  -0.496
   82    HB3  TYR  11           HB3      TYR  11   2.340   1.944   0.756
   83    HD1  TYR  11           HD2      TYR  11  -1.192   0.815   0.197
   84    HD2  TYR  11           HD1      TYR  11   2.041   1.303   2.919
   85    HE1  TYR  11           HE2      TYR  11  -2.484  -0.342   1.940
   86    HE2  TYR  11           HE1      TYR  11   0.769   0.155   4.662
   87    HH   TYR  11           HH       TYR  11  -2.039  -1.627   4.000
   88    H    PHE  12           H        PHE  12   2.624   4.275   1.354
   89    HA   PHE  12           HA       PHE  12   4.108   5.189  -1.011
   90    HB2  PHE  12           HB2      PHE  12   2.810   6.983   0.282
   91    HB3  PHE  12           HB3      PHE  12   4.003   6.757   1.557
   92    HD1  PHE  12           HD2      PHE  12   3.429   7.844  -1.871
   93    HD2  PHE  12           HD1      PHE  12   6.237   7.583   1.309
   94    HE1  PHE  12           HE2      PHE  12   4.918   9.395  -3.069
   95    HE2  PHE  12           HE1      PHE  12   7.747   9.132   0.111
   96    HZ   PHE  12           HZ       PHE  12   7.077  10.045  -2.076
   97    H    CYS  13           H        CYS  13   5.982   4.177  -1.074
   98    HA   CYS  13           HA       CYS  13   7.033   2.876   1.277
   99    HB2  CYS  13           HB2      CYS  13   7.191   1.633  -0.747
  100    HB3  CYS  13           HB3      CYS  13   7.923   2.983  -1.598
  101    H    HIS  14           H        HIS  14   8.717   3.463   2.485
  102    HA   HIS  14           HA       HIS  14   9.677   6.158   2.295
  103    HB2  HIS  14           HB2      HIS  14  10.006   3.894   4.209
  104    HB3  HIS  14           HB3      HIS  14  11.208   5.185   4.242
  105    HD1  HIS  14           HD1      HIS  14  10.611   6.561   6.219
  106    HD2  HIS  14           HD2      HIS  14   7.278   5.558   3.953
  107    HE1  HIS  14           HE1      HIS  14   8.693   7.801   7.256
  108    HE2  HIS  14           HE2      HIS  14   6.748   7.372   5.715
  109    H    CYS  15           H        CYS  15  10.870   3.045   1.356
  110    HA   CYS  15           HA       CYS  15  13.606   3.893   1.077
  111    HB2  CYS  15           HB2      CYS  15  12.978   1.552   1.596
  112    HB3  CYS  15           HB3      CYS  15  12.222   1.421   0.017
  113    HG   CYS  15           HG       CYS  15  15.479   1.308   0.851
  114    H    CYS  16           H        CYS  16  10.888   3.238  -1.081
  115    HA   CYS  16           HA       CYS  16  12.454   3.975  -3.414
  116    HB2  CYS  16           HB2      CYS  16   9.547   3.178  -3.186
  117    HB3  CYS  16           HB3      CYS  16  10.416   3.436  -4.689
  118    H    SER  17           H        SER  17  10.418   5.453  -1.177
  119    HA   SER  17           HA       SER  17   9.240   7.356  -1.000
  120    HB2  SER  17           HB2      SER  17  10.310   9.393  -1.862
  121    HB3  SER  17           HB3      SER  17  11.455   8.333  -1.052
  122    HG   SER  17           HG       SER  17  11.485   7.632  -3.588
  123    H    VAL  18           H        VAL  18   8.156   5.627  -2.841
  124    HA   VAL  18           HA       VAL  18   6.790   7.528  -4.607
  125    HB   VAL  18           HB       VAL  18   6.601   5.882  -6.381
  126   HG11  VAL  18          HG11      VAL  18   8.508   7.396  -6.456
  127   HG12  VAL  18          HG12      VAL  18   8.905   5.830  -7.167
  128   HG13  VAL  18          HG13      VAL  18   9.474   6.232  -5.546
  129   HG21  VAL  18          HG21      VAL  18   8.317   4.126  -4.638
  130   HG22  VAL  18          HG22      VAL  18   7.901   3.788  -6.317
  131   HG23  VAL  18          HG23      VAL  18   6.637   3.848  -5.090
  132    H    GLU  19           H        GLU  19   4.687   6.701  -5.328
  133    HA   GLU  19           HA       GLU  19   3.296   5.471  -3.104
  134    HB2  GLU  19           HB2      GLU  19   2.463   7.446  -4.555
  135    HB3  GLU  19           HB3      GLU  19   2.064   6.220  -5.752
  136    HG2  GLU  19           HG2      GLU  19   1.015   5.341  -3.291
  137    HG3  GLU  19           HG3      GLU  19   0.593   7.041  -3.459
  138    H    ILE  20           H        ILE  20   2.658   3.401  -3.016
  139    HA   ILE  20           HA       ILE  20   3.059   1.703  -5.396
  140    HB   ILE  20           HB       ILE  20   3.998  -0.058  -3.899
  141   HG12  ILE  20          HG12      ILE  20   4.861   1.776  -1.828
  142   HG13  ILE  20          HG13      ILE  20   3.110   1.628  -1.877
  143   HG21  ILE  20          HG21      ILE  20   5.506   1.239  -5.256
  144   HG22  ILE  20          HG22      ILE  20   6.241   0.929  -3.684
  145   HG23  ILE  20          HG23      ILE  20   5.554   2.514  -4.037
  146   HD11  ILE  20          HD11      ILE  20   3.373  -0.826  -1.742
  147   HD12  ILE  20          HD12      ILE  20   3.993   0.036  -0.335
  148   HD13  ILE  20          HD13      ILE  20   5.110  -0.590  -1.549
  149    H    VAL  21           H        VAL  21   2.083  -0.400  -5.206
  150    HA   VAL  21           HA       VAL  21  -0.091  -0.578  -3.234
  151    HB   VAL  21           HB       VAL  21  -1.101  -0.606  -5.389
  152   HG11  VAL  21          HG11      VAL  21   0.905  -2.689  -6.229
  153   HG12  VAL  21          HG12      VAL  21   0.931  -0.988  -6.697
  154   HG13  VAL  21          HG13      VAL  21  -0.396  -2.029  -7.223
  155   HG21  VAL  21          HG21      VAL  21  -1.993  -2.289  -3.897
  156   HG22  VAL  21          HG22      VAL  21  -0.785  -3.452  -4.446
  157   HG23  VAL  21          HG23      VAL  21  -2.029  -2.883  -5.557
  158    HA   PRO  22           HA       PRO  22   2.965  -3.341  -1.536
  159    HB2  PRO  22           HB2      PRO  22   0.827  -4.001   0.383
  160    HB3  PRO  22           HB3      PRO  22   2.430  -3.337   0.677
  161    HG2  PRO  22           HG2      PRO  22   0.240  -1.839   0.930
  162    HG3  PRO  22           HG3      PRO  22   1.750  -1.169   0.286
  163    HD2  PRO  22           HD2      PRO  22  -0.709  -2.030  -1.174
  164    HD3  PRO  22           HD3      PRO  22   0.331  -0.617  -1.450
  165    H    ARG  23           H        ARG  23   3.408  -5.509  -1.563
  166    HA   ARG  23           HA       ARG  23   1.553  -7.317  -2.775
  167    HB2  ARG  23           HB2      ARG  23   4.126  -7.823  -1.257
  168    HB3  ARG  23           HB3      ARG  23   3.217  -9.065  -2.099
  169    HG2  ARG  23           HG2      ARG  23   3.588  -7.864  -4.218
  170    HG3  ARG  23           HG3      ARG  23   4.561  -6.677  -3.346
  171    HD2  ARG  23           HD2      ARG  23   6.062  -8.499  -2.627
  172    HD3  ARG  23           HD3      ARG  23   5.121  -9.629  -3.595
  173    HE   ARG  23           HE       ARG  23   5.825  -7.773  -5.411
  174   HH11  ARG  23          HH11      ARG  23   7.643  -9.601  -3.050
  175   HH12  ARG  23          HH12      ARG  23   9.133  -9.545  -3.946
  176   HH21  ARG  23          HH21      ARG  23   7.761  -7.731  -6.628
  177   HH22  ARG  23          HH22      ARG  23   9.185  -8.499  -6.000
  178    H    LEU  24           H        LEU  24  -0.270  -7.664  -1.678
  179    HA   LEU  24           HA       LEU  24  -0.629  -7.013   0.975
  180    HB2  LEU  24           HB2      LEU  24  -2.213  -7.856  -1.176
  181    HB3  LEU  24           HB3      LEU  24  -2.622  -8.871   0.189
  182    HG   LEU  24           HG       LEU  24  -4.035  -6.845   0.000
  183   HD11  LEU  24          HD11      LEU  24  -2.318  -7.030   2.462
  184   HD12  LEU  24          HD12      LEU  24  -3.797  -7.936   2.143
  185   HD13  LEU  24          HD13      LEU  24  -3.862  -6.187   2.360
  186   HD21  LEU  24          HD21      LEU  24  -2.250  -5.360  -0.862
  187   HD22  LEU  24          HD22      LEU  24  -1.527  -5.353   0.747
  188   HD23  LEU  24          HD23      LEU  24  -3.135  -4.674   0.499
  189    HA   PRO  25           HA       PRO  25  -0.551 -11.833   2.039
  190    HB2  PRO  25           HB2      PRO  25   1.709 -12.454   0.200
  191    HB3  PRO  25           HB3      PRO  25   0.382 -13.492   0.732
  192    HG2  PRO  25           HG2      PRO  25   0.353 -12.470  -1.698
  193    HG3  PRO  25           HG3      PRO  25  -1.136 -12.480  -0.731
  194    HD2  PRO  25           HD2      PRO  25   0.752 -10.220  -1.277
  195    HD3  PRO  25           HD3      PRO  25  -1.019 -10.226  -1.241
  196    H    ASP  26           H        ASP  26   2.071  -9.638   1.301
  197    HA   ASP  26           HA       ASP  26   3.515 -10.618   3.684
  198    HB2  ASP  26           HB2      ASP  26   4.612  -9.490   1.113
  199    HB3  ASP  26           HB3      ASP  26   5.580  -9.644   2.573
  200    H    TYR  27           H        TYR  27   2.012  -7.984   2.172
  201    HA   TYR  27           HA       TYR  27   1.739  -5.794   2.621
  202    HB2  TYR  27           HB2      TYR  27   2.304  -6.949   5.276
  203    HB3  TYR  27           HB3      TYR  27   2.529  -5.209   5.145
  204    HD1  TYR  27           HD1      TYR  27   0.401  -4.402   3.318
  205    HD2  TYR  27           HD2      TYR  27   0.333  -7.271   6.464
  206    HE1  TYR  27           HE1      TYR  27  -2.009  -4.034   3.589
  207    HE2  TYR  27           HE2      TYR  27  -2.085  -6.917   6.738
  208    HH   TYR  27           HH       TYR  27  -3.985  -5.336   4.479
  209    H    ILE  28           H        ILE  28   4.175  -6.576   1.394
  210    HA   ILE  28           HA       ILE  28   6.017  -4.559   2.470
  211    HB   ILE  28           HB       ILE  28   7.771  -5.690   1.085
  212   HG12  ILE  28          HG12      ILE  28   5.688  -7.871   0.882
  213   HG13  ILE  28          HG13      ILE  28   6.240  -6.867  -0.450
  214   HG21  ILE  28          HG21      ILE  28   7.627  -6.033   3.483
  215   HG22  ILE  28          HG22      ILE  28   8.149  -7.505   2.665
  216   HG23  ILE  28          HG23      ILE  28   6.488  -7.357   3.241
  217   HD11  ILE  28          HD11      ILE  28   7.287  -9.045  -0.510
  218   HD12  ILE  28          HD12      ILE  28   7.915  -8.810   1.120
  219   HD13  ILE  28          HD13      ILE  28   8.488  -7.792  -0.201
  220    H    CYS  29           H        CYS  29   7.614  -4.114   0.422
  221    HA   CYS  29           HA       CYS  29   5.981  -2.518  -1.376
  222    HB2  CYS  29           HB2      CYS  29   8.024  -1.647  -0.209
  223    HB3  CYS  29           HB3      CYS  29   8.984  -2.793  -1.117
  224    HA   PRO  30           HA       PRO  30   6.528  -5.562  -4.594
  225    HB2  PRO  30           HB2      PRO  30   5.518  -4.202  -6.665
  226    HB3  PRO  30           HB3      PRO  30   4.477  -4.723  -5.334
  227    HG2  PRO  30           HG2      PRO  30   5.649  -2.028  -5.881
  228    HG3  PRO  30           HG3      PRO  30   4.025  -2.440  -5.309
  229    HD2  PRO  30           HD2      PRO  30   6.103  -1.605  -3.698
  230    HD3  PRO  30           HD3      PRO  30   4.701  -2.545  -3.131
  231    H    ARG  31           H        ARG  31   8.096  -2.612  -4.292
  232    HA   ARG  31           HA       ARG  31   9.678  -2.935  -6.716
  233    HB2  ARG  31           HB2      ARG  31   9.791  -0.575  -4.875
  234    HB3  ARG  31           HB3      ARG  31  10.140  -0.649  -6.591
  235    HG2  ARG  31           HG2      ARG  31   7.597  -1.289  -6.727
  236    HG3  ARG  31           HG3      ARG  31   7.539  -0.469  -5.182
  237    HD2  ARG  31           HD2      ARG  31   8.283   1.540  -6.099
  238    HD3  ARG  31           HD3      ARG  31   8.790   0.783  -7.602
  239    HE   ARG  31           HE       ARG  31   5.962   0.583  -7.025
  240   HH11  ARG  31          HH11      ARG  31   8.479   2.467  -8.566
  241   HH12  ARG  31          HH12      ARG  31   7.398   3.211  -9.700
  242   HH21  ARG  31          HH21      ARG  31   4.540   1.564  -8.516
  243   HH22  ARG  31          HH22      ARG  31   5.159   2.701  -9.671
  244    H    CYS  32           H        CYS  32  10.063  -2.606  -3.171
  245    HA   CYS  32           HA       CYS  32  12.832  -3.507  -3.587
  246    HB2  CYS  32           HB2      CYS  32  13.643  -2.080  -1.816
  247    HB3  CYS  32           HB3      CYS  32  12.803  -1.106  -3.015
  248    H    GLU  33           H        GLU  33   9.916  -4.194  -2.136
  249    HA   GLU  33           HA       GLU  33   9.203  -5.808  -0.694
  250    HB2  GLU  33           HB2      GLU  33  11.979  -6.955  -1.015
  251    HB3  GLU  33           HB3      GLU  33  10.529  -7.819  -0.531
  252    HG2  GLU  33           HG2      GLU  33   9.566  -7.535  -2.711
  253    HG3  GLU  33           HG3      GLU  33  10.913  -6.514  -3.213
  254    H    SER  34           H        SER  34  10.189  -3.480   0.503
  255    HA   SER  34           HA       SER  34  11.905  -4.288   2.692
  256    HB2  SER  34           HB2      SER  34  12.522  -2.199   1.806
  257    HB3  SER  34           HB3      SER  34  10.851  -1.642   1.724
  258    HG   SER  34           HG       SER  34  12.442  -2.028   4.045
  259    H    GLY  35           H        GLY  35   8.749  -2.651   2.411
  260    HA2  GLY  35           HA2      GLY  35   6.893  -3.459   3.775
  261    HA3  GLY  35           HA3      GLY  35   8.077  -3.761   5.035
  262    H    PHE  36           H        PHE  36   9.482  -1.240   4.364
  263    HA   PHE  36           HA       PHE  36   8.147   0.528   6.121
  264    HB2  PHE  36           HB2      PHE  36  10.505   0.777   4.288
  265    HB3  PHE  36           HB3      PHE  36   9.861   2.193   5.110
  266    HD1  PHE  36           HD1      PHE  36  11.156  -1.226   5.748
  267    HD2  PHE  36           HD2      PHE  36  10.476   2.684   7.256
  268    HE1  PHE  36           HE1      PHE  36  12.447  -1.794   7.766
  269    HE2  PHE  36           HE2      PHE  36  11.766   2.131   9.286
  270    HZ   PHE  36           HZ       PHE  36  12.751  -0.112   9.540
  271    H    ILE  37           H        ILE  37   6.046   0.695   5.204
  272    HA   ILE  37           HA       ILE  37   5.888   2.632   3.009
  273    HB   ILE  37           HB       ILE  37   3.928   1.424   2.098
  274   HG12  ILE  37          HG12      ILE  37   4.721  -0.621   4.168
  275   HG13  ILE  37          HG13      ILE  37   3.159   0.128   3.941
  276   HG21  ILE  37          HG21      ILE  37   5.999   1.169   0.975
  277   HG22  ILE  37          HG22      ILE  37   5.265  -0.435   1.069
  278   HG23  ILE  37          HG23      ILE  37   6.575   0.002   2.166
  279   HD11  ILE  37          HD11      ILE  37   4.435  -1.813   2.029
  280   HD12  ILE  37          HD12      ILE  37   2.827  -1.105   1.889
  281   HD13  ILE  37          HD13      ILE  37   3.192  -2.206   3.216
  282    H    GLU  38           H        GLU  38   4.002   3.910   2.995
  283    HA   GLU  38           HA       GLU  38   2.643   4.006   5.599
  284    HB2  GLU  38           HB2      GLU  38   3.436   6.210   3.716
  285    HB3  GLU  38           HB3      GLU  38   2.280   6.453   5.022
  286    HG2  GLU  38           HG2      GLU  38   4.040   5.646   6.600
  287    HG3  GLU  38           HG3      GLU  38   5.171   5.671   5.250
  288    H    GLU  39           H        GLU  39   0.539   3.752   5.638
  289    HA   GLU  39           HA       GLU  39  -0.908   3.309   3.191
  290    HB2  GLU  39           HB2      GLU  39  -1.159   1.967   5.317
  291    HB3  GLU  39           HB3      GLU  39  -1.950   3.356   6.030
  292    HG2  GLU  39           HG2      GLU  39  -2.985   2.164   3.497
  293    HG3  GLU  39           HG3      GLU  39  -3.358   1.426   5.055
  294    H    LEU  40           H        LEU  40  -1.614   4.963   2.045
  295    HA   LEU  40           HA       LEU  40  -1.684   7.596   3.199
  296    HB2  LEU  40           HB2      LEU  40  -2.244   6.672   0.394
  297    HB3  LEU  40           HB3      LEU  40  -2.073   8.342   0.892
  298    HG   LEU  40           HG       LEU  40   0.104   6.251   0.999
  299   HD11  LEU  40          HD11      LEU  40   1.118   7.546  -0.798
  300   HD12  LEU  40          HD12      LEU  40  -0.304   8.588  -0.846
  301   HD13  LEU  40          HD13      LEU  40  -0.444   6.881  -1.268
  302   HD21  LEU  40          HD21      LEU  40   0.367   7.882   2.774
  303   HD22  LEU  40          HD22      LEU  40   0.155   9.200   1.623
  304   HD23  LEU  40          HD23      LEU  40   1.572   8.157   1.516
  Start of MODEL    7
    1    H1   GLY  -1           H1       GLY  -1 -17.279   8.014  12.088
    2    H2   GLY  -1           H2       GLY  -1 -18.635   7.892  11.086
    3    H3   GLY  -1           H3       GLY  -1 -17.087   7.665  10.441
    4    HA2  GLY  -1           HA3      GLY  -1 -18.461   5.905  12.398
    5    HA3  GLY  -1           HA2      GLY  -1 -18.161   5.540  10.705
    6    H    SER   0           H        SER   0 -15.540   6.595  10.558
    7    HA   SER   0           HA       SER   0 -13.370   6.144  10.928
    8    HB2  SER   0           HB2      SER   0 -13.884   6.957  13.223
    9    HB3  SER   0           HB3      SER   0 -14.214   5.296  13.707
   10    HG   SER   0           HG       SER   0 -11.748   6.018  12.530
   11    H    MET   1           H        MET   1 -14.353   3.573  13.141
   12    HA   MET   1           HA       MET   1 -12.855   1.688  11.530
   13    HB2  MET   1           HB2      MET   1 -14.302   1.309  14.158
   14    HB3  MET   1           HB3      MET   1 -13.267   0.117  13.387
   15    HG2  MET   1           HG2      MET   1 -11.369   1.654  13.588
   16    HG3  MET   1           HG3      MET   1 -12.413   2.818  14.400
   17    HE1  MET   1           HE1      MET   1 -11.146  -1.269  16.123
   18    HE2  MET   1           HE2      MET   1 -10.531  -0.586  14.619
   19    HE3  MET   1           HE3      MET   1 -12.208  -1.123  14.723
   20    H    ALA   2           H        ALA   2 -15.996   2.773  11.651
   21    HA   ALA   2           HA       ALA   2 -17.141   0.261  10.676
   22    HB1  ALA   2           HB1      ALA   2 -18.482   2.890  11.324
   23    HB2  ALA   2           HB2      ALA   2 -18.433   1.470  12.370
   24    HB3  ALA   2           HB3      ALA   2 -19.301   1.406  10.838
   25    H    GLU   3           H        GLU   3 -15.298   2.477   9.483
   26    HA   GLU   3           HA       GLU   3 -16.707   2.697   6.937
   27    HB2  GLU   3           HB2      GLU   3 -14.668   4.533   8.184
   28    HB3  GLU   3           HB3      GLU   3 -15.173   4.650   6.507
   29    HG2  GLU   3           HG2      GLU   3 -17.441   5.106   7.185
   30    HG3  GLU   3           HG3      GLU   3 -16.994   4.918   8.881
   31    H    ALA   4           H        ALA   4 -15.153   0.457   7.872
   32    HA   ALA   4           HA       ALA   4 -12.637   0.708   6.383
   33    HB1  ALA   4           HB1      ALA   4 -12.397   0.105   8.725
   34    HB2  ALA   4           HB2      ALA   4 -11.869  -1.216   7.682
   35    HB3  ALA   4           HB3      ALA   4 -13.436  -1.297   8.484
   36    H    SER   5           H        SER   5 -15.526  -0.052   5.470
   37    HA   SER   5           HA       SER   5 -15.356  -2.651   4.418
   38    HB2  SER   5           HB2      SER   5 -17.466  -1.374   4.486
   39    HB3  SER   5           HB3      SER   5 -16.840  -0.274   3.263
   40    HG   SER   5           HG       SER   5 -18.146  -1.855   2.319
   41    HA   PRO   6           HA       PRO   6 -13.364  -0.579   0.450
   42    HB2  PRO   6           HB2      PRO   6 -12.077   1.796   1.028
   43    HB3  PRO   6           HB3      PRO   6 -13.646   1.675   0.228
   44    HG2  PRO   6           HG2      PRO   6 -13.019   2.207   3.100
   45    HG3  PRO   6           HG3      PRO   6 -14.258   2.941   2.065
   46    HD2  PRO   6           HD2      PRO   6 -14.876   1.047   3.849
   47    HD3  PRO   6           HD3      PRO   6 -15.683   1.126   2.272
   48    H    HIS   7           H        HIS   7 -11.408  -1.430   0.062
   49    HA   HIS   7           HA       HIS   7  -9.740  -2.024   2.374
   50    HB2  HIS   7           HB2      HIS   7  -8.643  -3.662   0.934
   51    HB3  HIS   7           HB3      HIS   7 -10.380  -3.867   0.875
   52    HD1  HIS   7           HD1      HIS   7 -11.564  -3.366  -1.369
   53    HD2  HIS   7           HD2      HIS   7  -7.437  -2.867  -1.467
   54    HE1  HIS   7           HE1      HIS   7 -10.958  -3.197  -3.801
   55    HE2  HIS   7           HE2      HIS   7  -8.446  -3.035  -3.842
   56    HA   PRO   8           HA       PRO   8  -6.652   0.955   1.311
   57    HB2  PRO   8           HB2      PRO   8  -4.514  -0.216   2.539
   58    HB3  PRO   8           HB3      PRO   8  -5.750   0.700   3.399
   59    HG2  PRO   8           HG2      PRO   8  -5.365  -2.234   3.176
   60    HG3  PRO   8           HG3      PRO   8  -5.987  -1.280   4.529
   61    HD2  PRO   8           HD2      PRO   8  -7.533  -2.735   2.795
   62    HD3  PRO   8           HD3      PRO   8  -8.114  -1.361   3.746
   63    H    GLY   9           H        GLY   9  -4.886   1.237  -0.086
   64    HA2  GLY   9           HA2      GLY   9  -3.672  -1.055  -1.362
   65    HA3  GLY   9           HA3      GLY   9  -4.804  -0.190  -2.392
   66    H    ARG  10           H        ARG  10  -4.274   2.400  -1.364
   67    HA   ARG  10           HA       ARG  10  -1.847   2.994  -2.778
   68    HB2  ARG  10           HB2      ARG  10  -2.419   5.363  -2.182
   69    HB3  ARG  10           HB3      ARG  10  -3.657   4.514  -3.094
   70    HG2  ARG  10           HG2      ARG  10  -5.049   4.310  -1.241
   71    HG3  ARG  10           HG3      ARG  10  -3.757   4.684  -0.106
   72    HD2  ARG  10           HD2      ARG  10  -4.734   6.728  -0.136
   73    HD3  ARG  10           HD3      ARG  10  -3.746   6.917  -1.581
   74    HE   ARG  10           HE       ARG  10  -6.406   5.842  -2.003
   75   HH11  ARG  10          HH11      ARG  10  -4.351   8.677  -1.993
   76   HH12  ARG  10          HH12      ARG  10  -5.401   9.598  -3.020
   77   HH21  ARG  10          HH21      ARG  10  -7.807   7.059  -3.324
   78   HH22  ARG  10          HH22      ARG  10  -7.380   8.683  -3.765
   79    H    TYR  11           H        TYR  11   0.013   2.634  -1.832
   80    HA   TYR  11           HA       TYR  11   0.363   3.576   0.937
   81    HB2  TYR  11           HB2      TYR  11   1.396   1.130  -0.434
   82    HB3  TYR  11           HB3      TYR  11   2.373   1.887   0.814
   83    HD1  TYR  11           HD1      TYR  11  -1.153   0.719   0.287
   84    HD2  TYR  11           HD2      TYR  11   2.120   1.175   2.964
   85    HE1  TYR  11           HE1      TYR  11  -2.405  -0.495   2.026
   86    HE2  TYR  11           HE2      TYR  11   0.893  -0.027   4.699
   87    HH   TYR  11           HH       TYR  11  -1.381  -0.604   5.296
   88    H    PHE  12           H        PHE  12   2.571   4.287   1.420
   89    HA   PHE  12           HA       PHE  12   4.008   5.209  -0.971
   90    HB2  PHE  12           HB2      PHE  12   2.669   6.969   0.358
   91    HB3  PHE  12           HB3      PHE  12   3.933   6.808   1.574
   92    HD1  PHE  12           HD1      PHE  12   3.114   7.900  -1.802
   93    HD2  PHE  12           HD2      PHE  12   6.156   7.631   1.156
   94    HE1  PHE  12           HE1      PHE  12   4.499   9.474  -3.091
   95    HE2  PHE  12           HE2      PHE  12   7.550   9.210  -0.123
   96    HZ   PHE  12           HZ       PHE  12   6.715  10.137  -2.249
   97    H    CYS  13           H        CYS  13   5.824   4.116  -1.046
   98    HA   CYS  13           HA       CYS  13   6.924   2.842   1.270
   99    HB2  CYS  13           HB2      CYS  13   7.096   1.665  -0.805
  100    HB3  CYS  13           HB3      CYS  13   7.860   3.038  -1.591
  101    H    HIS  14           H        HIS  14   8.395   3.572   2.613
  102    HA   HIS  14           HA       HIS  14   9.503   6.195   2.389
  103    HB2  HIS  14           HB2      HIS  14   9.724   3.930   4.327
  104    HB3  HIS  14           HB3      HIS  14  10.954   5.186   4.373
  105    HD1  HIS  14           HD1      HIS  14  10.373   6.473   6.406
  106    HD2  HIS  14           HD2      HIS  14   7.053   5.747   4.015
  107    HE1  HIS  14           HE1      HIS  14   8.492   7.756   7.460
  108    HE2  HIS  14           HE2      HIS  14   6.542   7.443   5.901
  109    H    CYS  15           H        CYS  15  10.513   3.027   1.526
  110    HA   CYS  15           HA       CYS  15  13.321   3.603   1.405
  111    HB2  CYS  15           HB2      CYS  15  11.736   1.249   0.363
  112    HB3  CYS  15           HB3      CYS  15  13.482   1.303   0.546
  113    HG   CYS  15           HG       CYS  15  12.732  -0.224   2.652
  114    H    CYS  16           H        CYS  16  10.642   3.544  -0.853
  115    HA   CYS  16           HA       CYS  16  12.485   4.120  -3.073
  116    HB2  CYS  16           HB2      CYS  16   9.569   3.331  -3.131
  117    HB3  CYS  16           HB3      CYS  16  10.545   3.684  -4.543
  118    H    SER  17           H        SER  17  10.399   5.605  -0.943
  119    HA   SER  17           HA       SER  17   9.219   7.508  -0.785
  120    HB2  SER  17           HB2      SER  17  10.289   9.553  -1.735
  121    HB3  SER  17           HB3      SER  17  11.377   8.552  -0.779
  122    HG   SER  17           HG       SER  17  11.461   7.800  -3.370
  123    H    VAL  18           H        VAL  18   8.073   5.795  -2.543
  124    HA   VAL  18           HA       VAL  18   6.712   7.648  -4.351
  125    HB   VAL  18           HB       VAL  18   6.644   6.026  -6.175
  126   HG11  VAL  18          HG11      VAL  18   8.446   7.687  -6.164
  127   HG12  VAL  18          HG12      VAL  18   8.938   6.184  -6.946
  128   HG13  VAL  18          HG13      VAL  18   9.481   6.543  -5.306
  129   HG21  VAL  18          HG21      VAL  18   8.484   4.370  -4.466
  130   HG22  VAL  18          HG22      VAL  18   8.063   4.027  -6.142
  131   HG23  VAL  18          HG23      VAL  18   6.819   3.981  -4.892
  132    H    GLU  19           H        GLU  19   4.683   6.707  -5.183
  133    HA   GLU  19           HA       GLU  19   3.279   5.430  -2.981
  134    HB2  GLU  19           HB2      GLU  19   2.401   7.488  -4.076
  135    HB3  GLU  19           HB3      GLU  19   2.207   6.582  -5.566
  136    HG2  GLU  19           HG2      GLU  19   0.889   5.534  -3.130
  137    HG3  GLU  19           HG3      GLU  19   0.218   6.979  -3.878
  138    H    ILE  20           H        ILE  20   2.477   3.415  -3.026
  139    HA   ILE  20           HA       ILE  20   2.858   1.783  -5.449
  140    HB   ILE  20           HB       ILE  20   3.850  -0.017  -4.020
  141   HG12  ILE  20          HG12      ILE  20   4.783   1.829  -1.970
  142   HG13  ILE  20          HG13      ILE  20   3.040   1.613  -1.937
  143   HG21  ILE  20          HG21      ILE  20   5.412   2.555  -4.175
  144   HG22  ILE  20          HG22      ILE  20   5.286   1.324  -5.433
  145   HG23  ILE  20          HG23      ILE  20   6.104   0.953  -3.916
  146   HD11  ILE  20          HD11      ILE  20   3.395  -0.823  -1.814
  147   HD12  ILE  20          HD12      ILE  20   4.077   0.058  -0.447
  148   HD13  ILE  20          HD13      ILE  20   5.134  -0.534  -1.732
  149    H    VAL  21           H        VAL  21   1.874  -0.333  -5.273
  150    HA   VAL  21           HA       VAL  21  -0.245  -0.525  -3.242
  151    HB   VAL  21           HB       VAL  21  -1.334  -0.401  -5.345
  152   HG11  VAL  21          HG11      VAL  21   0.592  -2.480  -6.358
  153   HG12  VAL  21          HG12      VAL  21   0.583  -0.767  -6.779
  154   HG13  VAL  21          HG13      VAL  21  -0.761  -1.801  -7.263
  155   HG21  VAL  21          HG21      VAL  21  -2.380  -2.605  -5.586
  156   HG22  VAL  21          HG22      VAL  21  -2.217  -2.138  -3.894
  157   HG23  VAL  21          HG23      VAL  21  -1.105  -3.313  -4.596
  158    HA   PRO  22           HA       PRO  22   2.838  -3.402  -1.788
  159    HB2  PRO  22           HB2      PRO  22   0.831  -3.970   0.299
  160    HB3  PRO  22           HB3      PRO  22   2.477  -3.368   0.460
  161    HG2  PRO  22           HG2      PRO  22   0.384  -1.782   0.871
  162    HG3  PRO  22           HG3      PRO  22   1.858  -1.179   0.088
  163    HD2  PRO  22           HD2      PRO  22  -0.749  -1.980  -1.144
  164    HD3  PRO  22           HD3      PRO  22   0.296  -0.594  -1.516
  165    H    ARG  23           H        ARG  23   3.206  -5.567  -1.667
  166    HA   ARG  23           HA       ARG  23   1.233  -7.424  -2.626
  167    HB2  ARG  23           HB2      ARG  23   3.917  -7.886  -1.287
  168    HB3  ARG  23           HB3      ARG  23   2.959  -9.125  -2.083
  169    HG2  ARG  23           HG2      ARG  23   3.215  -7.971  -4.211
  170    HG3  ARG  23           HG3      ARG  23   4.133  -6.694  -3.418
  171    HD2  ARG  23           HD2      ARG  23   5.838  -8.339  -2.781
  172    HD3  ARG  23           HD3      ARG  23   4.925  -9.595  -3.616
  173    HE   ARG  23           HE       ARG  23   5.342  -7.611  -5.476
  174   HH11  ARG  23          HH11      ARG  23   7.343  -9.713  -3.520
  175   HH12  ARG  23          HH12      ARG  23   8.652  -9.734  -4.655
  176   HH21  ARG  23          HH21      ARG  23   7.062  -7.632  -6.979
  177   HH22  ARG  23          HH22      ARG  23   8.497  -8.542  -6.625
  178    H    LEU  24           H        LEU  24  -0.481  -7.759  -1.323
  179    HA   LEU  24           HA       LEU  24  -0.544  -6.731   1.252
  180    HB2  LEU  24           HB2      LEU  24  -2.399  -7.571  -0.575
  181    HB3  LEU  24           HB3      LEU  24  -2.629  -8.680   0.761
  182    HG   LEU  24           HG       LEU  24  -4.071  -6.645   0.835
  183   HD11  LEU  24          HD11      LEU  24  -3.649  -7.926   2.848
  184   HD12  LEU  24          HD12      LEU  24  -3.718  -6.203   3.218
  185   HD13  LEU  24          HD13      LEU  24  -2.160  -7.025   3.127
  186   HD21  LEU  24          HD21      LEU  24  -2.307  -5.102  -0.028
  187   HD22  LEU  24          HD22      LEU  24  -1.535  -5.193   1.554
  188   HD23  LEU  24          HD23      LEU  24  -3.158  -4.521   1.401
  189    HA   PRO  25           HA       PRO  25  -0.618 -11.360   2.966
  190    HB2  PRO  25           HB2      PRO  25   1.293 -12.430   0.943
  191    HB3  PRO  25           HB3      PRO  25  -0.012 -13.261   1.799
  192    HG2  PRO  25           HG2      PRO  25  -0.344 -12.570  -0.718
  193    HG3  PRO  25           HG3      PRO  25  -1.659 -12.296   0.444
  194    HD2  PRO  25           HD2      PRO  25   0.302 -10.338  -0.695
  195    HD3  PRO  25           HD3      PRO  25  -1.436 -10.155  -0.408
  196    H    ASP  26           H        ASP  26   2.071  -9.658   1.504
  197    HA   ASP  26           HA       ASP  26   3.790 -10.471   3.752
  198    HB2  ASP  26           HB2      ASP  26   4.516  -9.448   1.006
  199    HB3  ASP  26           HB3      ASP  26   5.685  -9.683   2.300
  200    H    TYR  27           H        TYR  27   2.074  -7.910   2.408
  201    HA   TYR  27           HA       TYR  27   1.929  -5.684   2.722
  202    HB2  TYR  27           HB2      TYR  27   2.652  -6.778   5.356
  203    HB3  TYR  27           HB3      TYR  27   2.963  -5.057   5.163
  204    HD1  TYR  27           HD2      TYR  27   0.810  -4.033   3.611
  205    HD2  TYR  27           HD1      TYR  27   0.705  -7.103   6.553
  206    HE1  TYR  27           HE2      TYR  27  -1.556  -3.533   4.033
  207    HE2  TYR  27           HE1      TYR  27  -1.666  -6.614   6.986
  208    HH   TYR  27           HH       TYR  27  -3.560  -4.724   4.941
  209    H    ILE  28           H        ILE  28   4.189  -6.459   1.259
  210    HA   ILE  28           HA       ILE  28   6.176  -4.503   2.185
  211    HB   ILE  28           HB       ILE  28   7.809  -5.700   0.728
  212   HG12  ILE  28          HG12      ILE  28   5.657  -7.830   0.665
  213   HG13  ILE  28          HG13      ILE  28   6.166  -6.859  -0.708
  214   HG21  ILE  28          HG21      ILE  28   6.590  -7.287   2.981
  215   HG22  ILE  28          HG22      ILE  28   7.796  -6.009   3.132
  216   HG23  ILE  28          HG23      ILE  28   8.207  -7.519   2.317
  217   HD11  ILE  28          HD11      ILE  28   8.400  -7.847  -0.564
  218   HD12  ILE  28          HD12      ILE  28   7.147  -9.066  -0.795
  219   HD13  ILE  28          HD13      ILE  28   7.864  -8.832   0.798
  220    H    CYS  29           H        CYS  29   7.637  -4.039   0.144
  221    HA   CYS  29           HA       CYS  29   5.971  -2.438  -1.610
  222    HB2  CYS  29           HB2      CYS  29   7.982  -1.565  -0.413
  223    HB3  CYS  29           HB3      CYS  29   8.970  -2.687  -1.317
  224    HA   PRO  30           HA       PRO  30   6.657  -5.342  -4.934
  225    HB2  PRO  30           HB2      PRO  30   5.703  -3.882  -6.985
  226    HB3  PRO  30           HB3      PRO  30   4.639  -4.572  -5.757
  227    HG2  PRO  30           HG2      PRO  30   5.572  -1.770  -6.096
  228    HG3  PRO  30           HG3      PRO  30   4.016  -2.373  -5.506
  229    HD2  PRO  30           HD2      PRO  30   6.121  -1.445  -3.927
  230    HD3  PRO  30           HD3      PRO  30   4.749  -2.421  -3.356
  231    H    ARG  31           H        ARG  31   8.104  -2.272  -4.611
  232    HA   ARG  31           HA       ARG  31   9.823  -2.614  -6.927
  233    HB2  ARG  31           HB2      ARG  31  10.046  -0.349  -4.991
  234    HB3  ARG  31           HB3      ARG  31  10.374  -0.371  -6.713
  235    HG2  ARG  31           HG2      ARG  31   7.769  -0.888  -6.775
  236    HG3  ARG  31           HG3      ARG  31   7.837  -0.001  -5.261
  237    HD2  ARG  31           HD2      ARG  31   7.381   1.520  -7.054
  238    HD3  ARG  31           HD3      ARG  31   8.988   1.832  -6.416
  239    HE   ARG  31           HE       ARG  31   9.592   0.238  -8.438
  240   HH11  ARG  31          HH11      ARG  31   7.338   2.915  -8.343
  241   HH12  ARG  31          HH12      ARG  31   7.557   3.327 -10.010
  242   HH21  ARG  31          HH21      ARG  31   9.885   0.779 -10.634
  243   HH22  ARG  31          HH22      ARG  31   9.005   2.108 -11.318
  244    H    CYS  32           H        CYS  32  10.112  -2.423  -3.360
  245    HA   CYS  32           HA       CYS  32  12.883  -3.340  -3.722
  246    HB2  CYS  32           HB2      CYS  32  13.621  -2.007  -1.845
  247    HB3  CYS  32           HB3      CYS  32  12.832  -0.977  -3.030
  248    H    GLU  33           H        GLU  33   9.912  -4.047  -2.362
  249    HA   GLU  33           HA       GLU  33   9.129  -5.630  -0.941
  250    HB2  GLU  33           HB2      GLU  33  11.793  -6.879  -1.615
  251    HB3  GLU  33           HB3      GLU  33  10.495  -7.709  -0.772
  252    HG2  GLU  33           HG2      GLU  33   9.052  -7.490  -2.684
  253    HG3  GLU  33           HG3      GLU  33  10.269  -6.536  -3.529
  254    H    SER  34           H        SER  34  10.282  -3.445   0.323
  255    HA   SER  34           HA       SER  34  12.043  -4.453   2.388
  256    HB2  SER  34           HB2      SER  34  12.776  -2.393   1.515
  257    HB3  SER  34           HB3      SER  34  11.169  -1.677   1.585
  258    HG   SER  34           HG       SER  34  12.789  -2.413   3.809
  259    H    GLY  35           H        GLY  35   8.988  -2.585   2.338
  260    HA2  GLY  35           HA2      GLY  35   7.144  -3.528   3.680
  261    HA3  GLY  35           HA3      GLY  35   8.355  -3.858   4.904
  262    H    PHE  36           H        PHE  36   9.631  -1.218   4.172
  263    HA   PHE  36           HA       PHE  36   8.239   0.424   6.042
  264    HB2  PHE  36           HB2      PHE  36  10.603   0.830   4.239
  265    HB3  PHE  36           HB3      PHE  36   9.901   2.182   5.118
  266    HD1  PHE  36           HD2      PHE  36  11.213  -1.253   5.671
  267    HD2  PHE  36           HD1      PHE  36  10.601   2.647   7.234
  268    HE1  PHE  36           HE2      PHE  36  12.513  -1.862   7.672
  269    HE2  PHE  36           HE1      PHE  36  11.897   2.053   9.246
  270    HZ   PHE  36           HZ       PHE  36  12.855  -0.206   9.464
  271    H    ILE  37           H        ILE  37   6.140   0.628   5.166
  272    HA   ILE  37           HA       ILE  37   5.948   2.532   2.942
  273    HB   ILE  37           HB       ILE  37   3.979   1.298   2.070
  274   HG12  ILE  37          HG12      ILE  37   4.840  -0.747   4.116
  275   HG13  ILE  37          HG13      ILE  37   3.275   0.017   3.962
  276   HG21  ILE  37          HG21      ILE  37   6.063   1.060   0.936
  277   HG22  ILE  37          HG22      ILE  37   5.303  -0.532   1.006
  278   HG23  ILE  37          HG23      ILE  37   6.624  -0.136   2.106
  279   HD11  ILE  37          HD11      ILE  37   2.879  -1.178   1.882
  280   HD12  ILE  37          HD12      ILE  37   3.222  -2.292   3.206
  281   HD13  ILE  37          HD13      ILE  37   4.467  -1.934   2.008
  282    H    GLU  38           H        GLU  38   4.013   3.780   2.904
  283    HA   GLU  38           HA       GLU  38   2.741   3.962   5.545
  284    HB2  GLU  38           HB2      GLU  38   3.573   6.049   3.588
  285    HB3  GLU  38           HB3      GLU  38   2.273   6.379   4.726
  286    HG2  GLU  38           HG2      GLU  38   5.066   5.530   5.448
  287    HG3  GLU  38           HG3      GLU  38   4.426   7.166   5.535
  288    H    GLU  39           H        GLU  39   0.692   3.427   5.622
  289    HA   GLU  39           HA       GLU  39  -0.901   3.073   3.273
  290    HB2  GLU  39           HB2      GLU  39  -1.020   1.756   5.462
  291    HB3  GLU  39           HB3      GLU  39  -1.857   3.136   6.140
  292    HG2  GLU  39           HG2      GLU  39  -2.832   1.692   3.698
  293    HG3  GLU  39           HG3      GLU  39  -3.268   1.200   5.332
  294    H    LEU  40           H        LEU  40  -1.684   4.724   2.185
  295    HA   LEU  40           HA       LEU  40  -1.811   7.346   3.367
  296    HB2  LEU  40           HB2      LEU  40  -2.528   6.434   0.593
  297    HB3  LEU  40           HB3      LEU  40  -2.353   8.098   1.106
  298    HG   LEU  40           HG       LEU  40  -0.154   6.044   0.960
  299   HD11  LEU  40          HD11      LEU  40   0.721   7.454  -0.821
  300   HD12  LEU  40          HD12      LEU  40  -0.706   8.483  -0.704
  301   HD13  LEU  40          HD13      LEU  40  -0.868   6.803  -1.216
  302   HD21  LEU  40          HD21      LEU  40   1.342   7.936   1.473
  303   HD22  LEU  40          HD22      LEU  40   0.255   7.549   2.807
  304   HD23  LEU  40          HD23      LEU  40  -0.073   8.943   1.777
  Start of MODEL    8
    1    H1   GLY  -1           H1       GLY  -1 -19.737  -8.501   5.442
    2    H2   GLY  -1           H2       GLY  -1 -20.264  -6.926   5.749
    3    H3   GLY  -1           H3       GLY  -1 -19.856  -7.943   7.034
    4    HA2  GLY  -1           HA3      GLY  -1 -18.101  -6.354   6.663
    5    HA3  GLY  -1           HA2      GLY  -1 -17.555  -7.987   6.310
    6    H    SER   0           H        SER   0 -18.310  -4.865   5.018
    7    HA   SER   0           HA       SER   0 -17.357  -5.749   2.369
    8    HB2  SER   0           HB2      SER   0 -19.102  -3.375   3.067
    9    HB3  SER   0           HB3      SER   0 -18.592  -3.834   1.445
   10    HG   SER   0           HG       SER   0 -20.736  -4.560   2.084
   11    H    MET   1           H        MET   1 -15.769  -4.550   1.333
   12    HA   MET   1           HA       MET   1 -14.001  -3.076   3.051
   13    HB2  MET   1           HB2      MET   1 -13.873  -3.640   0.082
   14    HB3  MET   1           HB3      MET   1 -12.612  -2.818   0.985
   15    HG2  MET   1           HG2      MET   1 -11.890  -5.031   0.774
   16    HG3  MET   1           HG3      MET   1 -12.477  -4.889   2.427
   17    HE1  MET   1           HE1      MET   1 -14.438  -5.355  -0.998
   18    HE2  MET   1           HE2      MET   1 -14.636  -7.106  -0.993
   19    HE3  MET   1           HE3      MET   1 -13.024  -6.402  -1.109
   20    H    ALA   2           H        ALA   2 -15.840  -1.537   3.468
   21    HA   ALA   2           HA       ALA   2 -15.277   0.931   2.122
   22    HB1  ALA   2           HB1      ALA   2 -17.579   1.402   1.400
   23    HB2  ALA   2           HB2      ALA   2 -18.049  -0.237   1.847
   24    HB3  ALA   2           HB3      ALA   2 -16.897   0.022   0.538
   25    H    GLU   3           H        GLU   3 -17.354  -0.893   4.301
   26    HA   GLU   3           HA       GLU   3 -18.130   1.318   5.906
   27    HB2  GLU   3           HB2      GLU   3 -18.903  -0.407   7.497
   28    HB3  GLU   3           HB3      GLU   3 -19.446  -0.726   5.856
   29    HG2  GLU   3           HG2      GLU   3 -17.626  -2.343   5.591
   30    HG3  GLU   3           HG3      GLU   3 -17.165  -2.075   7.271
   31    H    ALA   4           H        ALA   4 -15.474  -0.960   5.976
   32    HA   ALA   4           HA       ALA   4 -14.180   0.694   8.024
   33    HB1  ALA   4           HB1      ALA   4 -13.247  -1.299   9.078
   34    HB2  ALA   4           HB2      ALA   4 -14.129  -2.321   7.945
   35    HB3  ALA   4           HB3      ALA   4 -15.009  -1.337   9.111
   36    H    SER   5           H        SER   5 -13.234   1.660   6.149
   37    HA   SER   5           HA       SER   5 -11.477   2.085   4.794
   38    HB2  SER   5           HB2      SER   5 -10.113   0.967   6.578
   39    HB3  SER   5           HB3      SER   5 -10.301  -0.552   5.706
   40    HG   SER   5           HG       SER   5  -8.490   1.327   5.319
   41    HA   PRO   6           HA       PRO   6 -12.899  -0.133   1.211
   42    HB2  PRO   6           HB2      PRO   6 -11.764   1.429  -0.661
   43    HB3  PRO   6           HB3      PRO   6 -13.154   1.966   0.290
   44    HG2  PRO   6           HG2      PRO   6 -10.258   2.621   0.628
   45    HG3  PRO   6           HG3      PRO   6 -11.671   3.679   0.778
   46    HD2  PRO   6           HD2      PRO   6 -10.353   2.553   2.906
   47    HD3  PRO   6           HD3      PRO   6 -12.050   3.058   2.947
   48    H    HIS   7           H        HIS   7 -10.552  -1.075   2.627
   49    HA   HIS   7           HA       HIS   7  -8.852  -2.511   2.400
   50    HB2  HIS   7           HB2      HIS   7 -10.077  -3.762   0.829
   51    HB3  HIS   7           HB3      HIS   7  -9.765  -2.617  -0.452
   52    HD1  HIS   7           HD1      HIS   7  -8.159  -5.415   1.466
   53    HD2  HIS   7           HD2      HIS   7  -7.345  -2.958  -1.788
   54    HE1  HIS   7           HE1      HIS   7  -6.152  -6.424   0.336
   55    HE2  HIS   7           HE2      HIS   7  -5.690  -4.935  -1.644
   56    HA   PRO   8           HA       PRO   8  -5.602   0.366   1.662
   57    HB2  PRO   8           HB2      PRO   8  -3.819  -1.831   2.421
   58    HB3  PRO   8           HB3      PRO   8  -4.117  -0.298   3.246
   59    HG2  PRO   8           HG2      PRO   8  -4.970  -2.661   4.228
   60    HG3  PRO   8           HG3      PRO   8  -5.866  -1.150   4.472
   61    HD2  PRO   8           HD2      PRO   8  -6.392  -3.369   2.526
   62    HD3  PRO   8           HD3      PRO   8  -7.536  -2.420   3.492
   63    H    GLY   9           H        GLY   9  -4.425   0.841  -0.086
   64    HA2  GLY   9           HA2      GLY   9  -3.155  -1.245  -1.647
   65    HA3  GLY   9           HA3      GLY   9  -4.455  -0.391  -2.470
   66    H    ARG  10           H        ARG  10  -4.098   2.131  -1.422
   67    HA   ARG  10           HA       ARG  10  -1.768   3.039  -2.836
   68    HB2  ARG  10           HB2      ARG  10  -2.594   5.300  -2.091
   69    HB3  ARG  10           HB3      ARG  10  -3.722   4.372  -3.070
   70    HG2  ARG  10           HG2      ARG  10  -5.065   3.845  -1.215
   71    HG3  ARG  10           HG3      ARG  10  -3.839   4.391  -0.071
   72    HD2  ARG  10           HD2      ARG  10  -4.842   6.374  -0.060
   73    HD3  ARG  10           HD3      ARG  10  -4.344   6.573  -1.737
   74    HE   ARG  10           HE       ARG  10  -6.754   5.049  -1.466
   75   HH11  ARG  10          HH11      ARG  10  -5.435   8.284  -1.649
   76   HH12  ARG  10          HH12      ARG  10  -6.912   8.991  -2.224
   77   HH21  ARG  10          HH21      ARG  10  -8.690   5.963  -2.251
   78   HH22  ARG  10          HH22      ARG  10  -8.764   7.667  -2.582
   79    H    TYR  11           H        TYR  11   0.101   2.674  -1.848
   80    HA   TYR  11           HA       TYR  11   0.377   3.604   0.934
   81    HB2  TYR  11           HB2      TYR  11   1.467   1.175  -0.419
   82    HB3  TYR  11           HB3      TYR  11   2.420   1.945   0.843
   83    HD1  TYR  11           HD1      TYR  11  -1.043   0.674   0.231
   84    HD2  TYR  11           HD2      TYR  11   2.110   1.292   3.019
   85    HE1  TYR  11           HE1      TYR  11  -2.316  -0.546   1.947
   86    HE2  TYR  11           HE2      TYR  11   0.857   0.078   4.733
   87    HH   TYR  11           HH       TYR  11  -1.881  -1.798   4.019
   88    H    PHE  12           H        PHE  12   2.602   4.273   1.467
   89    HA   PHE  12           HA       PHE  12   4.065   5.257  -0.882
   90    HB2  PHE  12           HB2      PHE  12   2.753   7.002   0.486
   91    HB3  PHE  12           HB3      PHE  12   3.984   6.762   1.722
   92    HD1  PHE  12           HD2      PHE  12   3.282   7.970  -1.636
   93    HD2  PHE  12           HD1      PHE  12   6.226   7.556   1.398
   94    HE1  PHE  12           HE2      PHE  12   4.737   9.553  -2.841
   95    HE2  PHE  12           HE1      PHE  12   7.699   9.138   0.201
   96    HZ   PHE  12           HZ       PHE  12   6.944  10.143  -1.919
   97    H    CYS  13           H        CYS  13   5.865   4.120  -0.978
   98    HA   CYS  13           HA       CYS  13   6.952   2.800   1.322
   99    HB2  CYS  13           HB2      CYS  13   7.097   1.645  -0.773
  100    HB3  CYS  13           HB3      CYS  13   7.879   3.018  -1.541
  101    H    HIS  14           H        HIS  14   8.533   3.448   2.624
  102    HA   HIS  14           HA       HIS  14   9.647   6.092   2.265
  103    HB2  HIS  14           HB2      HIS  14   9.625   4.064   4.453
  104    HB3  HIS  14           HB3      HIS  14  10.912   5.268   4.452
  105    HD1  HIS  14           HD1      HIS  14  10.344   7.227   5.837
  106    HD2  HIS  14           HD2      HIS  14   6.969   5.548   4.087
  107    HE1  HIS  14           HE1      HIS  14   8.413   8.628   6.617
  108    HE2  HIS  14           HE2      HIS  14   6.413   7.721   5.379
  109    H    CYS  15           H        CYS  15  10.517   2.925   1.471
  110    HA   CYS  15           HA       CYS  15  13.367   3.407   1.447
  111    HB2  CYS  15           HB2      CYS  15  11.712   1.094   0.420
  112    HB3  CYS  15           HB3      CYS  15  13.469   1.120   0.477
  113    HG   CYS  15           HG       CYS  15  12.937   1.810   3.446
  114    H    CYS  16           H        CYS  16  10.690   3.412  -0.813
  115    HA   CYS  16           HA       CYS  16  12.521   4.003  -3.038
  116    HB2  CYS  16           HB2      CYS  16   9.577   3.310  -3.063
  117    HB3  CYS  16           HB3      CYS  16  10.537   3.667  -4.486
  118    H    SER  17           H        SER  17  10.494   5.464  -0.835
  119    HA   SER  17           HA       SER  17   9.350   7.373  -0.591
  120    HB2  SER  17           HB2      SER  17  10.464   9.439  -1.411
  121    HB3  SER  17           HB3      SER  17  11.530   8.361  -0.519
  122    HG   SER  17           HG       SER  17  11.764   7.634  -3.018
  123    H    VAL  18           H        VAL  18   8.227   5.760  -2.494
  124    HA   VAL  18           HA       VAL  18   6.898   7.753  -4.181
  125    HB   VAL  18           HB       VAL  18   6.748   6.224  -6.067
  126   HG11  VAL  18          HG11      VAL  18   9.070   6.225  -6.817
  127   HG12  VAL  18          HG12      VAL  18   9.603   6.556  -5.169
  128   HG13  VAL  18          HG13      VAL  18   8.638   7.750  -6.043
  129   HG21  VAL  18          HG21      VAL  18   8.462   4.374  -4.424
  130   HG22  VAL  18          HG22      VAL  18   8.053   4.140  -6.123
  131   HG23  VAL  18          HG23      VAL  18   6.784   4.115  -4.899
  132    H    GLU  19           H        GLU  19   4.823   6.957  -5.008
  133    HA   GLU  19           HA       GLU  19   3.373   5.615  -2.893
  134    HB2  GLU  19           HB2      GLU  19   2.531   7.667  -4.079
  135    HB3  GLU  19           HB3      GLU  19   2.336   6.686  -5.523
  136    HG2  GLU  19           HG2      GLU  19   1.042   5.461  -3.262
  137    HG3  GLU  19           HG3      GLU  19   0.474   7.111  -3.507
  138    H    ILE  20           H        ILE  20   2.678   3.567  -2.934
  139    HA   ILE  20           HA       ILE  20   3.160   1.964  -5.363
  140    HB   ILE  20           HB       ILE  20   4.091   0.162  -3.908
  141   HG12  ILE  20          HG12      ILE  20   4.867   2.009  -1.783
  142   HG13  ILE  20          HG13      ILE  20   3.136   1.711  -1.849
  143   HG21  ILE  20          HG21      ILE  20   5.599   1.514  -5.215
  144   HG22  ILE  20          HG22      ILE  20   6.326   1.157  -3.648
  145   HG23  ILE  20          HG23      ILE  20   5.630   2.748  -3.955
  146   HD11  ILE  20          HD11      ILE  20   3.594  -0.709  -1.756
  147   HD12  ILE  20          HD12      ILE  20   4.158   0.170  -0.336
  148   HD13  ILE  20          HD13      ILE  20   5.311  -0.343  -1.569
  149    H    VAL  21           H        VAL  21   2.227  -0.178  -5.243
  150    HA   VAL  21           HA       VAL  21  -0.008  -0.429  -3.343
  151    HB   VAL  21           HB       VAL  21  -0.965  -0.315  -5.518
  152   HG11  VAL  21          HG11      VAL  21  -0.258  -1.682  -7.403
  153   HG12  VAL  21          HG12      VAL  21   1.018  -2.397  -6.417
  154   HG13  VAL  21          HG13      VAL  21   1.072  -0.678  -6.814
  155   HG21  VAL  21          HG21      VAL  21  -1.906  -2.054  -4.107
  156   HG22  VAL  21          HG22      VAL  21  -0.742  -3.218  -4.739
  157   HG23  VAL  21          HG23      VAL  21  -1.968  -2.530  -5.803
  158    HA   PRO  22           HA       PRO  22   3.020  -3.324  -1.781
  159    HB2  PRO  22           HB2      PRO  22   0.935  -3.901   0.219
  160    HB3  PRO  22           HB3      PRO  22   2.569  -3.292   0.448
  161    HG2  PRO  22           HG2      PRO  22   0.443  -1.725   0.788
  162    HG3  PRO  22           HG3      PRO  22   1.950  -1.104   0.089
  163    HD2  PRO  22           HD2      PRO  22  -0.587  -1.897  -1.283
  164    HD3  PRO  22           HD3      PRO  22   0.470  -0.502  -1.586
  165    H    ARG  23           H        ARG  23   3.309  -5.528  -1.549
  166    HA   ARG  23           HA       ARG  23   1.303  -7.294  -2.649
  167    HB2  ARG  23           HB2      ARG  23   3.945  -7.869  -1.278
  168    HB3  ARG  23           HB3      ARG  23   2.943  -9.076  -2.064
  169    HG2  ARG  23           HG2      ARG  23   3.257  -7.930  -4.207
  170    HG3  ARG  23           HG3      ARG  23   4.274  -6.731  -3.407
  171    HD2  ARG  23           HD2      ARG  23   5.793  -8.562  -2.722
  172    HD3  ARG  23           HD3      ARG  23   4.811  -9.685  -3.659
  173    HE   ARG  23           HE       ARG  23   5.489  -7.708  -5.426
  174   HH11  ARG  23          HH11      ARG  23   7.243  -9.951  -3.392
  175   HH12  ARG  23          HH12      ARG  23   8.638  -9.993  -4.420
  176   HH21  ARG  23          HH21      ARG  23   7.326  -7.758  -6.788
  177   HH22  ARG  23          HH22      ARG  23   8.689  -8.736  -6.351
  178    H    LEU  24           H        LEU  24  -0.437  -7.537  -1.404
  179    HA   LEU  24           HA       LEU  24  -0.577  -6.663   1.216
  180    HB2  LEU  24           HB2      LEU  24  -2.358  -7.471  -0.749
  181    HB3  LEU  24           HB3      LEU  24  -2.686  -8.515   0.615
  182    HG   LEU  24           HG       LEU  24  -4.065  -6.447   0.552
  183   HD11  LEU  24          HD11      LEU  24  -2.254  -6.741   2.936
  184   HD12  LEU  24          HD12      LEU  24  -3.737  -7.647   2.636
  185   HD13  LEU  24          HD13      LEU  24  -3.809  -5.908   2.917
  186   HD21  LEU  24          HD21      LEU  24  -1.504  -5.036   1.266
  187   HD22  LEU  24          HD22      LEU  24  -3.105  -4.319   1.076
  188   HD23  LEU  24          HD23      LEU  24  -2.263  -4.979  -0.324
  189    HA   PRO  25           HA       PRO  25  -0.728 -11.376   2.648
  190    HB2  PRO  25           HB2      PRO  25   1.287 -12.341   0.680
  191    HB3  PRO  25           HB3      PRO  25  -0.073 -13.205   1.404
  192    HG2  PRO  25           HG2      PRO  25  -0.235 -12.367  -1.088
  193    HG3  PRO  25           HG3      PRO  25  -1.623 -12.160   0.002
  194    HD2  PRO  25           HD2      PRO  25   0.406 -10.142  -0.885
  195    HD3  PRO  25           HD3      PRO  25  -1.348  -9.973  -0.707
  196    H    ASP  26           H        ASP  26   2.012  -9.567   1.434
  197    HA   ASP  26           HA       ASP  26   3.611 -10.472   3.740
  198    HB2  ASP  26           HB2      ASP  26   4.462  -9.412   1.049
  199    HB3  ASP  26           HB3      ASP  26   5.571  -9.529   2.410
  200    H    TYR  27           H        TYR  27   2.036  -7.833   2.311
  201    HA   TYR  27           HA       TYR  27   1.885  -5.624   2.693
  202    HB2  TYR  27           HB2      TYR  27   2.530  -6.733   5.347
  203    HB3  TYR  27           HB3      TYR  27   2.837  -5.008   5.158
  204    HD1  TYR  27           HD2      TYR  27   0.736  -4.033   3.499
  205    HD2  TYR  27           HD1      TYR  27   0.548  -7.032   6.511
  206    HE1  TYR  27           HE2      TYR  27  -1.647  -3.545   3.822
  207    HE2  TYR  27           HE1      TYR  27  -1.840  -6.551   6.844
  208    HH   TYR  27           HH       TYR  27  -3.398  -4.656   6.484
  209    H    ILE  28           H        ILE  28   4.205  -6.545   1.362
  210    HA   ILE  28           HA       ILE  28   6.192  -4.587   2.272
  211    HB   ILE  28           HB       ILE  28   7.797  -5.772   0.787
  212   HG12  ILE  28          HG12      ILE  28   5.610  -7.859   0.639
  213   HG13  ILE  28          HG13      ILE  28   6.125  -6.837  -0.694
  214   HG21  ILE  28          HG21      ILE  28   6.538  -7.416   2.976
  215   HG22  ILE  28          HG22      ILE  28   7.780  -6.179   3.169
  216   HG23  ILE  28          HG23      ILE  28   8.147  -7.669   2.299
  217   HD11  ILE  28          HD11      ILE  28   8.349  -7.857  -0.591
  218   HD12  ILE  28          HD12      ILE  28   7.081  -9.043  -0.890
  219   HD13  ILE  28          HD13      ILE  28   7.795  -8.903   0.715
  220    H    CYS  29           H        CYS  29   7.623  -4.121   0.173
  221    HA   CYS  29           HA       CYS  29   5.910  -2.448  -1.464
  222    HB2  CYS  29           HB2      CYS  29   7.969  -1.614  -0.360
  223    HB3  CYS  29           HB3      CYS  29   8.913  -2.745  -1.304
  224    HA   PRO  30           HA       PRO  30   6.202  -5.275  -4.905
  225    HB2  PRO  30           HB2      PRO  30   5.298  -3.656  -6.857
  226    HB3  PRO  30           HB3      PRO  30   4.222  -4.278  -5.599
  227    HG2  PRO  30           HG2      PRO  30   5.524  -1.592  -5.822
  228    HG3  PRO  30           HG3      PRO  30   3.866  -1.991  -5.338
  229    HD2  PRO  30           HD2      PRO  30   5.875  -1.423  -3.571
  230    HD3  PRO  30           HD3      PRO  30   4.482  -2.452  -3.177
  231    H    ARG  31           H        ARG  31   7.826  -2.264  -4.619
  232    HA   ARG  31           HA       ARG  31   9.508  -2.701  -6.935
  233    HB2  ARG  31           HB2      ARG  31   9.934  -0.541  -4.903
  234    HB3  ARG  31           HB3      ARG  31  10.277  -0.525  -6.623
  235    HG2  ARG  31           HG2      ARG  31   7.512  -0.885  -6.371
  236    HG3  ARG  31           HG3      ARG  31   7.961   0.377  -5.227
  237    HD2  ARG  31           HD2      ARG  31   7.489   1.458  -7.251
  238    HD3  ARG  31           HD3      ARG  31   9.237   1.452  -7.097
  239    HE   ARG  31           HE       ARG  31   8.337  -0.800  -8.575
  240   HH11  ARG  31          HH11      ARG  31   8.932   2.638  -8.853
  241   HH12  ARG  31          HH12      ARG  31   9.165   2.586 -10.569
  242   HH21  ARG  31          HH21      ARG  31   8.669  -0.873 -10.826
  243   HH22  ARG  31          HH22      ARG  31   9.019   0.588 -11.694
  244    H    CYS  32           H        CYS  32   9.987  -2.354  -3.379
  245    HA   CYS  32           HA       CYS  32  12.674  -3.458  -3.837
  246    HB2  CYS  32           HB2      CYS  32  13.507  -2.158  -1.983
  247    HB3  CYS  32           HB3      CYS  32  12.702  -1.103  -3.135
  248    H    GLU  33           H        GLU  33   9.743  -4.135  -2.352
  249    HA   GLU  33           HA       GLU  33   9.024  -5.805  -0.989
  250    HB2  GLU  33           HB2      GLU  33  11.743  -6.954  -1.627
  251    HB3  GLU  33           HB3      GLU  33  10.425  -7.839  -0.879
  252    HG2  GLU  33           HG2      GLU  33   9.072  -7.581  -2.856
  253    HG3  GLU  33           HG3      GLU  33  10.317  -6.581  -3.606
  254    H    SER  34           H        SER  34  10.282  -3.560   0.265
  255    HA   SER  34           HA       SER  34  11.987  -4.636   2.340
  256    HB2  SER  34           HB2      SER  34  12.780  -2.597   1.465
  257    HB3  SER  34           HB3      SER  34  11.197  -1.830   1.575
  258    HG   SER  34           HG       SER  34  12.944  -1.425   3.270
  259    H    GLY  35           H        GLY  35   9.007  -2.658   2.315
  260    HA2  GLY  35           HA2      GLY  35   7.158  -3.592   3.688
  261    HA3  GLY  35           HA3      GLY  35   8.382  -3.866   4.913
  262    H    PHE  36           H        PHE  36   9.679  -1.277   4.163
  263    HA   PHE  36           HA       PHE  36   8.309   0.420   5.985
  264    HB2  PHE  36           HB2      PHE  36  10.616   0.807   4.106
  265    HB3  PHE  36           HB3      PHE  36   9.922   2.176   4.966
  266    HD1  PHE  36           HD1      PHE  36  11.719  -1.006   5.345
  267    HD2  PHE  36           HD2      PHE  36  10.256   2.487   7.274
  268    HE1  PHE  36           HE1      PHE  36  13.080  -1.539   7.325
  269    HE2  PHE  36           HE2      PHE  36  11.614   1.964   9.262
  270    HZ   PHE  36           HZ       PHE  36  13.027  -0.052   9.286
  271    H    ILE  37           H        ILE  37   6.199   0.729   5.250
  272    HA   ILE  37           HA       ILE  37   5.943   2.600   3.025
  273    HB   ILE  37           HB       ILE  37   3.982   1.380   2.158
  274   HG12  ILE  37          HG12      ILE  37   4.814  -0.662   4.209
  275   HG13  ILE  37          HG13      ILE  37   3.248   0.085   4.009
  276   HG21  ILE  37          HG21      ILE  37   5.295  -0.497   1.116
  277   HG22  ILE  37          HG22      ILE  37   6.633  -0.027   2.165
  278   HG23  ILE  37          HG23      ILE  37   6.004   1.112   0.973
  279   HD11  ILE  37          HD11      ILE  37   2.911  -1.136   1.931
  280   HD12  ILE  37          HD12      ILE  37   3.233  -2.232   3.273
  281   HD13  ILE  37          HD13      ILE  37   4.504  -1.876   2.102
  282    H    GLU  38           H        GLU  38   4.024   3.841   3.058
  283    HA   GLU  38           HA       GLU  38   2.682   3.898   5.676
  284    HB2  GLU  38           HB2      GLU  38   3.446   6.087   3.780
  285    HB3  GLU  38           HB3      GLU  38   2.161   6.324   4.957
  286    HG2  GLU  38           HG2      GLU  38   3.815   5.671   6.728
  287    HG3  GLU  38           HG3      GLU  38   5.060   5.744   5.479
  288    H    GLU  39           H        GLU  39   0.579   3.536   5.729
  289    HA   GLU  39           HA       GLU  39  -0.906   3.103   3.300
  290    HB2  GLU  39           HB2      GLU  39  -1.069   1.797   5.507
  291    HB3  GLU  39           HB3      GLU  39  -1.996   3.154   6.115
  292    HG2  GLU  39           HG2      GLU  39  -2.791   1.682   3.631
  293    HG3  GLU  39           HG3      GLU  39  -3.255   1.121   5.233
  294    H    LEU  40           H        LEU  40  -1.661   4.762   2.186
  295    HA   LEU  40           HA       LEU  40  -1.826   7.383   3.332
  296    HB2  LEU  40           HB2      LEU  40  -2.583   6.398   0.592
  297    HB3  LEU  40           HB3      LEU  40  -2.470   8.081   1.061
  298    HG   LEU  40           HG       LEU  40  -0.183   6.117   0.930
  299   HD11  LEU  40          HD11      LEU  40  -0.872   8.475  -0.798
  300   HD12  LEU  40          HD12      LEU  40  -0.969   6.775  -1.254
  301   HD13  LEU  40          HD13      LEU  40   0.597   7.506  -0.910
  302   HD21  LEU  40          HD21      LEU  40  -0.218   9.044   1.649
  303   HD22  LEU  40          HD22      LEU  40   1.234   8.089   1.357
  304   HD23  LEU  40          HD23      LEU  40   0.186   7.703   2.721
  Start of MODEL    9
    1    H1   GLY  -1           H1       GLY  -1 -13.505  -7.466  -2.490
    2    H2   GLY  -1           H2       GLY  -1 -14.258  -8.106  -1.118
    3    H3   GLY  -1           H3       GLY  -1 -14.815  -6.661  -1.793
    4    HA2  GLY  -1           HA3      GLY  -1 -16.281  -8.500  -2.356
    5    HA3  GLY  -1           HA2      GLY  -1 -15.533  -7.788  -3.779
    6    H    SER   0           H        SER   0 -16.179  -9.926  -4.679
    7    HA   SER   0           HA       SER   0 -15.651 -11.953  -5.530
    8    HB2  SER   0           HB2      SER   0 -12.848 -11.200  -4.673
    9    HB3  SER   0           HB3      SER   0 -13.268 -12.459  -5.836
   10    HG   SER   0           HG       SER   0 -13.794  -9.674  -6.080
   11    H    MET   1           H        MET   1 -16.658 -12.011  -2.959
   12    HA   MET   1           HA       MET   1 -17.000 -13.379  -1.183
   13    HB2  MET   1           HB2      MET   1 -15.424 -15.344  -2.856
   14    HB3  MET   1           HB3      MET   1 -16.369 -15.759  -1.433
   15    HG2  MET   1           HG2      MET   1 -18.396 -14.977  -2.572
   16    HG3  MET   1           HG3      MET   1 -17.435 -14.614  -4.004
   17    HE1  MET   1           HE1      MET   1 -18.971 -16.105  -5.559
   18    HE2  MET   1           HE2      MET   1 -20.005 -16.403  -4.161
   19    HE3  MET   1           HE3      MET   1 -19.454 -17.753  -5.155
   20    H    ALA   2           H        ALA   2 -14.725 -11.640  -1.141
   21    HA   ALA   2           HA       ALA   2 -13.109 -13.029   0.868
   22    HB1  ALA   2           HB1      ALA   2 -11.946 -11.367  -1.370
   23    HB2  ALA   2           HB2      ALA   2 -11.829 -13.121  -1.221
   24    HB3  ALA   2           HB3      ALA   2 -11.046 -12.082  -0.033
   25    H    GLU   3           H        GLU   3 -15.060 -11.565   1.660
   26    HA   GLU   3           HA       GLU   3 -15.657  -9.893   3.044
   27    HB2  GLU   3           HB2      GLU   3 -12.776  -9.017   2.821
   28    HB3  GLU   3           HB3      GLU   3 -13.957  -8.308   3.912
   29    HG2  GLU   3           HG2      GLU   3 -14.216 -10.435   5.044
   30    HG3  GLU   3           HG3      GLU   3 -13.054 -11.176   3.946
   31    H    ALA   4           H        ALA   4 -17.006  -8.430   2.363
   32    HA   ALA   4           HA       ALA   4 -16.391  -6.866  -0.013
   33    HB1  ALA   4           HB1      ALA   4 -18.569  -7.958   0.107
   34    HB2  ALA   4           HB2      ALA   4 -18.752  -6.204   0.065
   35    HB3  ALA   4           HB3      ALA   4 -18.942  -7.074   1.587
   36    H    SER   5           H        SER   5 -14.680  -5.823   1.381
   37    HA   SER   5           HA       SER   5 -15.823  -3.495   2.773
   38    HB2  SER   5           HB2      SER   5 -13.204  -4.886   3.399
   39    HB3  SER   5           HB3      SER   5 -13.885  -3.505   4.261
   40    HG   SER   5           HG       SER   5 -15.510  -5.745   4.021
   41    HA   PRO   6           HA       PRO   6 -13.915  -0.698  -0.047
   42    HB2  PRO   6           HB2      PRO   6 -12.522   0.410   2.363
   43    HB3  PRO   6           HB3      PRO   6 -13.392   1.260   1.081
   44    HG2  PRO   6           HG2      PRO   6 -14.539   0.870   3.441
   45    HG3  PRO   6           HG3      PRO   6 -15.475   0.712   1.944
   46    HD2  PRO   6           HD2      PRO   6 -14.463  -1.399   3.780
   47    HD3  PRO   6           HD3      PRO   6 -15.923  -1.380   2.770
   48    H    HIS   7           H        HIS   7 -11.541  -1.240   2.543
   49    HA   HIS   7           HA       HIS   7  -9.471  -2.104   2.597
   50    HB2  HIS   7           HB2      HIS   7 -10.257  -4.038   1.475
   51    HB3  HIS   7           HB3      HIS   7 -10.247  -3.240  -0.082
   52    HD1  HIS   7           HD1      HIS   7  -7.953  -4.764   2.475
   53    HD2  HIS   7           HD2      HIS   7  -7.816  -3.303  -1.413
   54    HE1  HIS   7           HE1      HIS   7  -5.698  -5.425   1.582
   55    HE2  HIS   7           HE2      HIS   7  -5.584  -4.397  -0.717
   56    HA   PRO   8           HA       PRO   8  -7.212   1.106   0.571
   57    HB2  PRO   8           HB2      PRO   8  -5.011   0.929   2.147
   58    HB3  PRO   8           HB3      PRO   8  -6.532   1.641   2.691
   59    HG2  PRO   8           HG2      PRO   8  -5.281  -0.881   3.479
   60    HG3  PRO   8           HG3      PRO   8  -6.583   0.017   4.270
   61    HD2  PRO   8           HD2      PRO   8  -6.764  -2.295   2.528
   62    HD3  PRO   8           HD3      PRO   8  -8.051  -1.507   3.457
   63    H    GLY   9           H        GLY   9  -5.349   1.418  -0.714
   64    HA2  GLY   9           HA2      GLY   9  -3.699  -0.916  -1.308
   65    HA3  GLY   9           HA3      GLY   9  -4.660  -0.258  -2.623
   66    H    ARG  10           H        ARG  10  -4.372   2.490  -1.703
   67    HA   ARG  10           HA       ARG  10  -1.902   3.144  -2.935
   68    HB2  ARG  10           HB2      ARG  10  -2.497   5.491  -2.156
   69    HB3  ARG  10           HB3      ARG  10  -3.642   4.704  -3.235
   70    HG2  ARG  10           HG2      ARG  10  -5.157   4.284  -1.489
   71    HG3  ARG  10           HG3      ARG  10  -3.963   4.668  -0.251
   72    HD2  ARG  10           HD2      ARG  10  -4.642   6.783  -0.262
   73    HD3  ARG  10           HD3      ARG  10  -4.217   6.914  -1.967
   74    HE   ARG  10           HE       ARG  10  -6.464   6.272  -2.520
   75   HH11  ARG  10          HH11      ARG  10  -5.937   6.963   0.879
   76   HH12  ARG  10          HH12      ARG  10  -7.603   7.370   1.170
   77   HH21  ARG  10          HH21      ARG  10  -8.652   6.792  -2.118
   78   HH22  ARG  10          HH22      ARG  10  -9.141   7.259  -0.521
   79    H    TYR  11           H        TYR  11  -0.080   2.623  -1.949
   80    HA   TYR  11           HA       TYR  11   0.309   3.597   0.803
   81    HB2  TYR  11           HB2      TYR  11   1.290   1.111  -0.541
   82    HB3  TYR  11           HB3      TYR  11   2.282   1.868   0.695
   83    HD1  TYR  11           HD1      TYR  11  -1.301   0.841   0.232
   84    HD2  TYR  11           HD2      TYR  11   2.066   1.105   2.815
   85    HE1  TYR  11           HE1      TYR  11  -2.563  -0.330   1.991
   86    HE2  TYR  11           HE2      TYR  11   0.834  -0.056   4.574
   87    HH   TYR  11           HH       TYR  11  -1.572  -0.443   5.208
   88    H    PHE  12           H        PHE  12   2.606   4.119   1.263
   89    HA   PHE  12           HA       PHE  12   4.028   5.083  -1.114
   90    HB2  PHE  12           HB2      PHE  12   2.717   6.852   0.206
   91    HB3  PHE  12           HB3      PHE  12   3.928   6.633   1.466
   92    HD1  PHE  12           HD1      PHE  12   3.314   7.719  -1.966
   93    HD2  PHE  12           HD2      PHE  12   6.129   7.506   1.218
   94    HE1  PHE  12           HE1      PHE  12   4.778   9.304  -3.161
   95    HE2  PHE  12           HE2      PHE  12   7.610   9.087   0.024
   96    HZ   PHE  12           HZ       PHE  12   6.925   9.990  -2.165
   97    H    CYS  13           H        CYS  13   5.898   4.051  -1.192
   98    HA   CYS  13           HA       CYS  13   6.981   2.777   1.154
   99    HB2  CYS  13           HB2      CYS  13   7.165   1.548  -0.891
  100    HB3  CYS  13           HB3      CYS  13   7.913   2.910  -1.712
  101    H    HIS  14           H        HIS  14   8.543   3.478   2.426
  102    HA   HIS  14           HA       HIS  14   9.580   6.142   2.102
  103    HB2  HIS  14           HB2      HIS  14   9.707   4.012   4.181
  104    HB3  HIS  14           HB3      HIS  14  10.974   5.237   4.193
  105    HD1  HIS  14           HD1      HIS  14  10.440   7.117   5.679
  106    HD2  HIS  14           HD2      HIS  14   7.015   5.460   4.014
  107    HE1  HIS  14           HE1      HIS  14   8.523   8.417   6.653
  108    HE2  HIS  14           HE2      HIS  14   6.483   7.540   5.456
  109    H    CYS  15           H        CYS  15  10.644   2.942   1.442
  110    HA   CYS  15           HA       CYS  15  13.443   3.531   1.309
  111    HB2  CYS  15           HB2      CYS  15  11.857   1.175   0.268
  112    HB3  CYS  15           HB3      CYS  15  13.603   1.226   0.443
  113    HG   CYS  15           HG       CYS  15  13.642   1.280   3.173
  114    H    CYS  16           H        CYS  16  10.768   3.439  -0.941
  115    HA   CYS  16           HA       CYS  16  12.588   4.014  -3.177
  116    HB2  CYS  16           HB2      CYS  16   9.666   3.245  -3.167
  117    HB3  CYS  16           HB3      CYS  16  10.598   3.602  -4.608
  118    H    SER  17           H        SER  17  10.550   5.495  -1.002
  119    HA   SER  17           HA       SER  17   9.286   7.348  -0.840
  120    HB2  SER  17           HB2      SER  17  10.346   9.441  -1.640
  121    HB3  SER  17           HB3      SER  17  11.441   8.409  -0.728
  122    HG   SER  17           HG       SER  17  11.530   7.849  -3.385
  123    H    VAL  18           H        VAL  18   8.174   5.718  -2.615
  124    HA   VAL  18           HA       VAL  18   6.913   7.575  -4.490
  125    HB   VAL  18           HB       VAL  18   6.868   5.929  -6.287
  126   HG11  VAL  18          HG11      VAL  18   8.688   7.529  -6.300
  127   HG12  VAL  18          HG12      VAL  18   9.223   5.976  -6.947
  128   HG13  VAL  18          HG13      VAL  18   9.665   6.449  -5.307
  129   HG21  VAL  18          HG21      VAL  18   8.238   3.895  -6.167
  130   HG22  VAL  18          HG22      VAL  18   6.936   3.902  -4.978
  131   HG23  VAL  18          HG23      VAL  18   8.588   4.254  -4.478
  132    H    GLU  19           H        GLU  19   4.898   6.644  -5.377
  133    HA   GLU  19           HA       GLU  19   3.382   5.502  -3.179
  134    HB2  GLU  19           HB2      GLU  19   2.789   7.489  -4.836
  135    HB3  GLU  19           HB3      GLU  19   2.166   6.179  -5.821
  136    HG2  GLU  19           HG2      GLU  19   0.828   5.489  -3.823
  137    HG3  GLU  19           HG3      GLU  19   1.323   6.990  -3.066
  138    H    ILE  20           H        ILE  20   2.664   3.454  -3.106
  139    HA   ILE  20           HA       ILE  20   3.026   1.730  -5.479
  140    HB   ILE  20           HB       ILE  20   3.980  -0.030  -4.029
  141   HG12  ILE  20          HG12      ILE  20   4.787   1.735  -1.873
  142   HG13  ILE  20          HG13      ILE  20   3.039   1.581  -1.968
  143   HG21  ILE  20          HG21      ILE  20   5.532   2.553  -4.014
  144   HG22  ILE  20          HG22      ILE  20   5.497   1.356  -5.308
  145   HG23  ILE  20          HG23      ILE  20   6.215   0.949  -3.750
  146   HD11  ILE  20          HD11      ILE  20   3.918  -0.055  -0.457
  147   HD12  ILE  20          HD12      ILE  20   5.033  -0.650  -1.688
  148   HD13  ILE  20          HD13      ILE  20   3.294  -0.868  -1.893
  149    H    VAL  21           H        VAL  21   1.999  -0.369  -5.239
  150    HA   VAL  21           HA       VAL  21  -0.150  -0.447  -3.229
  151    HB   VAL  21           HB       VAL  21  -1.216  -0.358  -5.356
  152   HG11  VAL  21          HG11      VAL  21   0.731  -0.866  -6.735
  153   HG12  VAL  21          HG12      VAL  21  -0.675  -1.818  -7.221
  154   HG13  VAL  21          HG13      VAL  21   0.613  -2.566  -6.277
  155   HG21  VAL  21          HG21      VAL  21  -2.176  -1.998  -3.847
  156   HG22  VAL  21          HG22      VAL  21  -1.090  -3.239  -4.475
  157   HG23  VAL  21          HG23      VAL  21  -2.327  -2.541  -5.519
  158    HA   PRO  22           HA       PRO  22   2.749  -3.444  -1.681
  159    HB2  PRO  22           HB2      PRO  22   0.686  -4.008   0.336
  160    HB3  PRO  22           HB3      PRO  22   2.321  -3.388   0.548
  161    HG2  PRO  22           HG2      PRO  22   0.191  -1.830   0.900
  162    HG3  PRO  22           HG3      PRO  22   1.686  -1.206   0.182
  163    HD2  PRO  22           HD2      PRO  22  -0.858  -2.033  -1.167
  164    HD3  PRO  22           HD3      PRO  22   0.172  -0.617  -1.470
  165    H    ARG  23           H        ARG  23   3.076  -5.604  -1.660
  166    HA   ARG  23           HA       ARG  23   1.092  -7.419  -2.663
  167    HB2  ARG  23           HB2      ARG  23   3.706  -7.950  -1.224
  168    HB3  ARG  23           HB3      ARG  23   2.758  -9.149  -2.078
  169    HG2  ARG  23           HG2      ARG  23   3.159  -7.962  -4.178
  170    HG3  ARG  23           HG3      ARG  23   4.128  -6.770  -3.308
  171    HD2  ARG  23           HD2      ARG  23   5.613  -8.608  -2.565
  172    HD3  ARG  23           HD3      ARG  23   4.689  -9.718  -3.567
  173    HE   ARG  23           HE       ARG  23   5.429  -7.844  -5.339
  174   HH11  ARG  23          HH11      ARG  23   7.208  -9.695  -2.960
  175   HH12  ARG  23          HH12      ARG  23   8.703  -9.649  -3.846
  176   HH21  ARG  23          HH21      ARG  23   7.394  -7.808  -6.526
  177   HH22  ARG  23          HH22      ARG  23   8.794  -8.601  -5.884
  178    H    LEU  24           H        LEU  24  -0.679  -7.728  -1.355
  179    HA   LEU  24           HA       LEU  24  -0.723  -6.771   1.239
  180    HB2  LEU  24           HB2      LEU  24  -2.592  -7.632  -0.574
  181    HB3  LEU  24           HB3      LEU  24  -2.797  -8.725   0.779
  182    HG   LEU  24           HG       LEU  24  -4.243  -6.681   0.830
  183   HD11  LEU  24          HD11      LEU  24  -3.897  -6.246   3.214
  184   HD12  LEU  24          HD12      LEU  24  -2.336  -7.061   3.128
  185   HD13  LEU  24          HD13      LEU  24  -3.822  -7.968   2.846
  186   HD21  LEU  24          HD21      LEU  24  -3.320  -4.561   1.377
  187   HD22  LEU  24          HD22      LEU  24  -2.447  -5.160  -0.033
  188   HD23  LEU  24          HD23      LEU  24  -1.705  -5.241   1.565
  189    HA   PRO  25           HA       PRO  25  -0.616 -11.416   2.906
  190    HB2  PRO  25           HB2      PRO  25   1.240 -12.410   0.797
  191    HB3  PRO  25           HB3      PRO  25  -0.007 -13.284   1.692
  192    HG2  PRO  25           HG2      PRO  25  -0.443 -12.579  -0.809
  193    HG3  PRO  25           HG3      PRO  25  -1.727 -12.373   0.399
  194    HD2  PRO  25           HD2      PRO  25   0.108 -10.322  -0.784
  195    HD3  PRO  25           HD3      PRO  25  -1.621 -10.210  -0.421
  196    H    ASP  26           H        ASP  26   2.012  -9.782   1.229
  197    HA   ASP  26           HA       ASP  26   3.906 -10.557   3.322
  198    HB2  ASP  26           HB2      ASP  26   4.268  -9.284   0.613
  199    HB3  ASP  26           HB3      ASP  26   5.573  -9.384   1.787
  200    H    TYR  27           H        TYR  27   2.061  -7.898   2.210
  201    HA   TYR  27           HA       TYR  27   1.937  -5.695   2.662
  202    HB2  TYR  27           HB2      TYR  27   2.686  -6.923   5.234
  203    HB3  TYR  27           HB3      TYR  27   2.973  -5.191   5.118
  204    HD1  TYR  27           HD1      TYR  27   0.764  -4.177   3.580
  205    HD2  TYR  27           HD2      TYR  27   0.779  -7.277   6.495
  206    HE1  TYR  27           HE1      TYR  27  -1.597  -3.720   4.066
  207    HE2  TYR  27           HE2      TYR  27  -1.588  -6.832   6.981
  208    HH   TYR  27           HH       TYR  27  -3.533  -4.846   5.005
  209    H    ILE  28           H        ILE  28   4.221  -6.507   1.198
  210    HA   ILE  28           HA       ILE  28   6.208  -4.586   2.189
  211    HB   ILE  28           HB       ILE  28   7.857  -5.744   0.752
  212   HG12  ILE  28          HG12      ILE  28   5.668  -7.812   0.451
  213   HG13  ILE  28          HG13      ILE  28   6.261  -6.762  -0.828
  214   HG21  ILE  28          HG21      ILE  28   7.750  -6.219   3.125
  215   HG22  ILE  28          HG22      ILE  28   8.159  -7.679   2.224
  216   HG23  ILE  28          HG23      ILE  28   6.523  -7.455   2.845
  217   HD11  ILE  28          HD11      ILE  28   8.443  -7.819  -0.697
  218   HD12  ILE  28          HD12      ILE  28   7.176  -9.008  -0.996
  219   HD13  ILE  28          HD13      ILE  28   7.874  -8.849   0.616
  220    H    CYS  29           H        CYS  29   7.689  -4.120   0.136
  221    HA   CYS  29           HA       CYS  29   6.047  -2.477  -1.606
  222    HB2  CYS  29           HB2      CYS  29   8.078  -1.627  -0.445
  223    HB3  CYS  29           HB3      CYS  29   9.044  -2.794  -1.322
  224    HA   PRO  30           HA       PRO  30   6.522  -5.449  -4.908
  225    HB2  PRO  30           HB2      PRO  30   5.630  -3.964  -6.965
  226    HB3  PRO  30           HB3      PRO  30   4.540  -4.547  -5.703
  227    HG2  PRO  30           HG2      PRO  30   5.716  -1.833  -6.087
  228    HG3  PRO  30           HG3      PRO  30   4.096  -2.284  -5.534
  229    HD2  PRO  30           HD2      PRO  30   6.183  -1.512  -3.888
  230    HD3  PRO  30           HD3      PRO  30   4.768  -2.456  -3.365
  231    H    ARG  31           H        ARG  31   8.210  -2.547  -4.549
  232    HA   ARG  31           HA       ARG  31   9.851  -2.963  -6.926
  233    HB2  ARG  31           HB2      ARG  31  10.299  -0.638  -5.144
  234    HB3  ARG  31           HB3      ARG  31  10.343  -0.731  -6.893
  235    HG2  ARG  31           HG2      ARG  31   7.810  -0.980  -6.739
  236    HG3  ARG  31           HG3      ARG  31   7.986  -0.430  -5.081
  237    HD2  ARG  31           HD2      ARG  31   7.526   1.502  -6.327
  238    HD3  ARG  31           HD3      ARG  31   9.257   1.538  -6.018
  239    HE   ARG  31           HE       ARG  31   8.392   0.400  -8.556
  240   HH11  ARG  31          HH11      ARG  31   9.783   3.115  -6.832
  241   HH12  ARG  31          HH12      ARG  31  10.315   3.921  -8.269
  242   HH21  ARG  31          HH21      ARG  31   9.095   1.465 -10.448
  243   HH22  ARG  31          HH22      ARG  31   9.921   2.987 -10.322
  244    H    CYS  32           H        CYS  32  10.215  -2.469  -3.380
  245    HA   CYS  32           HA       CYS  32  12.950  -3.505  -3.706
  246    HB2  CYS  32           HB2      CYS  32  13.718  -2.092  -1.915
  247    HB3  CYS  32           HB3      CYS  32  12.901  -1.103  -3.116
  248    H    GLU  33           H        GLU  33   9.978  -4.140  -2.346
  249    HA   GLU  33           HA       GLU  33   9.188  -5.749  -0.953
  250    HB2  GLU  33           HB2      GLU  33  11.930  -6.963  -1.312
  251    HB3  GLU  33           HB3      GLU  33  10.479  -7.804  -0.789
  252    HG2  GLU  33           HG2      GLU  33   9.450  -7.395  -2.962
  253    HG3  GLU  33           HG3      GLU  33  10.897  -6.533  -3.486
  254    H    SER  34           H        SER  34  10.318  -3.475   0.351
  255    HA   SER  34           HA       SER  34  11.925  -4.515   2.525
  256    HB2  SER  34           HB2      SER  34  12.829  -2.483   1.981
  257    HB3  SER  34           HB3      SER  34  11.283  -1.773   1.523
  258    HG   SER  34           HG       SER  34  12.560  -1.419   3.765
  259    H    GLY  35           H        GLY  35   8.926  -2.576   2.335
  260    HA2  GLY  35           HA2      GLY  35   6.999  -3.455   3.607
  261    HA3  GLY  35           HA3      GLY  35   8.154  -3.823   4.874
  262    H    PHE  36           H        PHE  36   9.552  -1.219   4.193
  263    HA   PHE  36           HA       PHE  36   8.175   0.479   6.005
  264    HB2  PHE  36           HB2      PHE  36  10.572   0.765   4.248
  265    HB3  PHE  36           HB3      PHE  36   9.851   2.208   4.947
  266    HD1  PHE  36           HD1      PHE  36  11.407  -1.040   5.768
  267    HD2  PHE  36           HD2      PHE  36  10.165   2.771   7.182
  268    HE1  PHE  36           HE1      PHE  36  12.611  -1.439   7.878
  269    HE2  PHE  36           HE2      PHE  36  11.367   2.384   9.299
  270    HZ   PHE  36           HZ       PHE  36  12.591   0.276   9.647
  271    H    ILE  37           H        ILE  37   6.074   0.531   5.038
  272    HA   ILE  37           HA       ILE  37   5.874   2.525   2.892
  273    HB   ILE  37           HB       ILE  37   3.918   1.297   1.987
  274   HG12  ILE  37          HG12      ILE  37   4.788  -0.775   4.002
  275   HG13  ILE  37          HG13      ILE  37   3.215  -0.033   3.841
  276   HG21  ILE  37          HG21      ILE  37   5.271  -0.515   0.911
  277   HG22  ILE  37          HG22      ILE  37   6.590  -0.078   2.001
  278   HG23  ILE  37          HG23      ILE  37   5.977   1.100   0.838
  279   HD11  ILE  37          HD11      ILE  37   3.240  -2.346   3.056
  280   HD12  ILE  37          HD12      ILE  37   4.447  -1.914   1.844
  281   HD13  ILE  37          HD13      ILE  37   2.830  -1.214   1.770
  282    H    GLU  38           H        GLU  38   4.001   3.805   2.915
  283    HA   GLU  38           HA       GLU  38   2.599   3.801   5.498
  284    HB2  GLU  38           HB2      GLU  38   3.477   6.068   3.743
  285    HB3  GLU  38           HB3      GLU  38   2.218   6.277   4.955
  286    HG2  GLU  38           HG2      GLU  38   3.885   5.384   6.635
  287    HG3  GLU  38           HG3      GLU  38   5.103   5.573   5.373
  288    H    GLU  39           H        GLU  39   0.528   3.370   5.432
  289    HA   GLU  39           HA       GLU  39  -0.948   3.202   3.007
  290    HB2  GLU  39           HB2      GLU  39  -1.328   1.761   5.013
  291    HB3  GLU  39           HB3      GLU  39  -1.934   3.163   5.870
  292    HG2  GLU  39           HG2      GLU  39  -3.214   2.407   3.297
  293    HG3  GLU  39           HG3      GLU  39  -3.543   1.434   4.728
  294    H    LEU  40           H        LEU  40  -1.780   4.842   1.957
  295    HA   LEU  40           HA       LEU  40  -1.765   7.469   3.156
  296    HB2  LEU  40           HB2      LEU  40  -2.487   6.597   0.368
  297    HB3  LEU  40           HB3      LEU  40  -2.283   8.254   0.892
  298    HG   LEU  40           HG       LEU  40  -0.103   6.166   0.826
  299   HD11  LEU  40          HD11      LEU  40   0.804   7.510  -1.003
  300   HD12  LEU  40          HD12      LEU  40  -0.647   8.511  -0.971
  301   HD13  LEU  40          HD13      LEU  40  -0.762   6.804  -1.397
  302   HD21  LEU  40          HD21      LEU  40   0.270   7.773   2.601
  303   HD22  LEU  40          HD22      LEU  40  -0.019   9.106   1.485
  304   HD23  LEU  40          HD23      LEU  40   1.392   8.071   1.274
  Start of MODEL   10
    1    H1   GLY  -1           H1       GLY  -1 -11.829   8.530  -6.081
    2    H2   GLY  -1           H2       GLY  -1 -12.731   8.136  -7.452
    3    H3   GLY  -1           H3       GLY  -1 -11.577   9.366  -7.529
    4    HA2  GLY  -1           HA3      GLY  -1 -10.720   7.402  -8.590
    5    HA3  GLY  -1           HA2      GLY  -1  -9.810   7.763  -7.132
    6    H    SER   0           H        SER   0  -9.627   6.224  -5.612
    7    HA   SER   0           HA       SER   0 -10.680   3.620  -6.250
    8    HB2  SER   0           HB2      SER   0  -9.304   2.927  -4.255
    9    HB3  SER   0           HB3      SER   0  -8.395   3.726  -5.537
   10    HG   SER   0           HG       SER   0  -8.494   4.397  -3.011
   11    H    MET   1           H        MET   1 -11.436   6.198  -4.069
   12    HA   MET   1           HA       MET   1 -12.974   4.528  -2.276
   13    HB2  MET   1           HB2      MET   1 -12.569   7.515  -2.428
   14    HB3  MET   1           HB3      MET   1 -13.620   6.746  -1.246
   15    HG2  MET   1           HG2      MET   1 -10.659   6.311  -1.553
   16    HG3  MET   1           HG3      MET   1 -11.459   7.228  -0.277
   17    HE1  MET   1           HE1      MET   1  -9.347   4.931   0.299
   18    HE2  MET   1           HE2      MET   1 -10.133   4.062   1.616
   19    HE3  MET   1           HE3      MET   1 -10.168   5.824   1.578
   20    H    ALA   2           H        ALA   2 -13.966   4.026  -4.650
   21    HA   ALA   2           HA       ALA   2 -16.542   5.465  -4.693
   22    HB1  ALA   2           HB1      ALA   2 -16.693   4.937  -7.082
   23    HB2  ALA   2           HB2      ALA   2 -15.108   4.168  -7.012
   24    HB3  ALA   2           HB3      ALA   2 -15.259   5.901  -6.727
   25    H    GLU   3           H        GLU   3 -16.099   3.426  -2.947
   26    HA   GLU   3           HA       GLU   3 -16.713   1.374  -2.229
   27    HB2  GLU   3           HB2      GLU   3 -18.825   1.864  -4.320
   28    HB3  GLU   3           HB3      GLU   3 -18.797   0.388  -3.367
   29    HG2  GLU   3           HG2      GLU   3 -20.321   1.876  -2.334
   30    HG3  GLU   3           HG3      GLU   3 -18.888   1.803  -1.314
   31    H    ALA   4           H        ALA   4 -14.542   1.135  -3.467
   32    HA   ALA   4           HA       ALA   4 -14.797  -1.239  -5.152
   33    HB1  ALA   4           HB1      ALA   4 -13.158  -0.411  -6.741
   34    HB2  ALA   4           HB2      ALA   4 -13.040   1.109  -5.855
   35    HB3  ALA   4           HB3      ALA   4 -14.544   0.677  -6.670
   36    H    SER   5           H        SER   5 -12.602   0.913  -3.360
   37    HA   SER   5           HA       SER   5 -11.101  -1.492  -2.565
   38    HB2  SER   5           HB2      SER   5  -9.927   1.239  -3.139
   39    HB3  SER   5           HB3      SER   5  -9.030  -0.197  -2.644
   40    HG   SER   5           HG       SER   5 -10.235  -1.071  -4.675
   41    HA   PRO   6           HA       PRO   6 -12.208   0.717   1.305
   42    HB2  PRO   6           HB2      PRO   6 -13.678  -1.205   2.466
   43    HB3  PRO   6           HB3      PRO   6 -14.365  -0.102   1.273
   44    HG2  PRO   6           HG2      PRO   6 -13.627  -2.950   0.999
   45    HG3  PRO   6           HG3      PRO   6 -14.858  -2.018   0.137
   46    HD2  PRO   6           HD2      PRO   6 -12.255  -2.701  -0.774
   47    HD3  PRO   6           HD3      PRO   6 -13.431  -1.645  -1.575
   48    H    HIS   7           H        HIS   7  -9.913  -0.966   0.464
   49    HA   HIS   7           HA       HIS   7  -9.060  -1.780   3.131
   50    HB2  HIS   7           HB2      HIS   7  -8.057  -3.857   2.289
   51    HB3  HIS   7           HB3      HIS   7  -9.789  -3.864   2.048
   52    HD1  HIS   7           HD1      HIS   7 -10.570  -4.457  -0.236
   53    HD2  HIS   7           HD2      HIS   7  -6.582  -3.284  -0.204
   54    HE1  HIS   7           HE1      HIS   7  -9.722  -4.881  -2.563
   55    HE2  HIS   7           HE2      HIS   7  -7.345  -4.046  -2.557
   56    HA   PRO   8           HA       PRO   8  -5.358   0.423   2.307
   57    HB2  PRO   8           HB2      PRO   8  -3.838  -2.057   2.947
   58    HB3  PRO   8           HB3      PRO   8  -3.676  -0.431   3.620
   59    HG2  PRO   8           HG2      PRO   8  -4.852  -2.362   5.008
   60    HG3  PRO   8           HG3      PRO   8  -5.471  -0.702   5.054
   61    HD2  PRO   8           HD2      PRO   8  -6.541  -3.086   3.621
   62    HD3  PRO   8           HD3      PRO   8  -7.412  -1.745   4.390
   63    H    GLY   9           H        GLY   9  -4.542   0.924   0.366
   64    HA2  GLY   9           HA2      GLY   9  -3.518  -1.226  -1.333
   65    HA3  GLY   9           HA3      GLY   9  -4.805  -0.221  -1.986
   66    H    ARG  10           H        ARG  10  -4.182   2.230  -1.136
   67    HA   ARG  10           HA       ARG  10  -1.823   2.885  -2.636
   68    HB2  ARG  10           HB2      ARG  10  -2.468   5.239  -1.969
   69    HB3  ARG  10           HB3      ARG  10  -3.654   4.359  -2.916
   70    HG2  ARG  10           HG2      ARG  10  -5.020   3.978  -1.049
   71    HG3  ARG  10           HG3      ARG  10  -3.769   4.498   0.078
   72    HD2  ARG  10           HD2      ARG  10  -5.048   6.392  -0.004
   73    HD3  ARG  10           HD3      ARG  10  -3.950   6.710  -1.341
   74    HE   ARG  10           HE       ARG  10  -6.029   5.388  -2.501
   75   HH11  ARG  10          HH11      ARG  10  -5.734   8.283  -0.554
   76   HH12  ARG  10          HH12      ARG  10  -7.104   9.061  -1.274
   77   HH21  ARG  10          HH21      ARG  10  -7.854   6.405  -3.439
   78   HH22  ARG  10          HH22      ARG  10  -8.299   8.004  -2.919
   79    H    TYR  11           H        TYR  11   0.045   2.492  -1.687
   80    HA   TYR  11           HA       TYR  11   0.433   3.474   1.062
   81    HB2  TYR  11           HB2      TYR  11   1.442   1.024  -0.312
   82    HB3  TYR  11           HB3      TYR  11   2.463   1.801   0.889
   83    HD1  TYR  11           HD2      TYR  11  -1.051   0.565   0.488
   84    HD2  TYR  11           HD1      TYR  11   2.271   1.173   3.073
   85    HE1  TYR  11           HE2      TYR  11  -2.242  -0.605   2.302
   86    HE2  TYR  11           HE1      TYR  11   1.106   0.008   4.882
   87    HH   TYR  11           HH       TYR  11  -1.124  -0.585   5.559
   88    H    PHE  12           H        PHE  12   2.629   4.213   1.505
   89    HA   PHE  12           HA       PHE  12   4.004   5.138  -0.917
   90    HB2  PHE  12           HB2      PHE  12   2.683   6.894   0.420
   91    HB3  PHE  12           HB3      PHE  12   3.956   6.734   1.632
   92    HD1  PHE  12           HD1      PHE  12   3.140   7.744  -1.768
   93    HD2  PHE  12           HD2      PHE  12   6.139   7.614   1.239
   94    HE1  PHE  12           HE1      PHE  12   4.513   9.317  -3.078
   95    HE2  PHE  12           HE2      PHE  12   7.533   9.184  -0.067
   96    HZ   PHE  12           HZ       PHE  12   6.708  10.042  -2.226
   97    H    CYS  13           H        CYS  13   5.851   4.097  -1.044
   98    HA   CYS  13           HA       CYS  13   7.056   2.865   1.250
   99    HB2  CYS  13           HB2      CYS  13   7.191   1.686  -0.838
  100    HB3  CYS  13           HB3      CYS  13   7.916   3.075  -1.638
  101    H    HIS  14           H        HIS  14   8.718   3.531   2.432
  102    HA   HIS  14           HA       HIS  14   9.622   6.251   2.127
  103    HB2  HIS  14           HB2      HIS  14   9.919   4.109   4.180
  104    HB3  HIS  14           HB3      HIS  14  11.083   5.432   4.179
  105    HD1  HIS  14           HD1      HIS  14  10.399   7.053   5.920
  106    HD2  HIS  14           HD2      HIS  14   7.131   5.524   3.860
  107    HE1  HIS  14           HE1      HIS  14   8.395   8.234   6.859
  108    HE2  HIS  14           HE2      HIS  14   6.460   7.455   5.450
  109    H    CYS  15           H        CYS  15  10.810   3.099   1.372
  110    HA   CYS  15           HA       CYS  15  13.563   3.866   1.109
  111    HB2  CYS  15           HB2      CYS  15  12.846   1.536   1.585
  112    HB3  CYS  15           HB3      CYS  15  12.113   1.455  -0.008
  113    HG   CYS  15           HG       CYS  15  15.379   1.328   0.855
  114    H    CYS  16           H        CYS  16  10.863   3.306  -1.102
  115    HA   CYS  16           HA       CYS  16  12.470   4.110  -3.394
  116    HB2  CYS  16           HB2      CYS  16   9.566   3.277  -3.251
  117    HB3  CYS  16           HB3      CYS  16  10.477   3.561  -4.722
  118    H    SER  17           H        SER  17  10.437   5.488  -1.129
  119    HA   SER  17           HA       SER  17   9.222   7.358  -0.873
  120    HB2  SER  17           HB2      SER  17  10.242   9.452  -1.770
  121    HB3  SER  17           HB3      SER  17  11.354   8.436  -0.860
  122    HG   SER  17           HG       SER  17  11.412   7.770  -3.473
  123    H    VAL  18           H        VAL  18   8.090   5.703  -2.725
  124    HA   VAL  18           HA       VAL  18   6.696   7.650  -4.410
  125    HB   VAL  18           HB       VAL  18   6.535   6.094  -6.272
  126   HG11  VAL  18          HG11      VAL  18   8.401   7.683  -6.245
  127   HG12  VAL  18          HG12      VAL  18   8.816   6.192  -7.091
  128   HG13  VAL  18          HG13      VAL  18   9.410   6.471  -5.453
  129   HG21  VAL  18          HG21      VAL  18   6.664   3.999  -5.055
  130   HG22  VAL  18          HG22      VAL  18   8.352   4.311  -4.660
  131   HG23  VAL  18          HG23      VAL  18   7.877   4.038  -6.335
  132    H    GLU  19           H        GLU  19   4.606   6.811  -5.175
  133    HA   GLU  19           HA       GLU  19   3.248   5.487  -2.985
  134    HB2  GLU  19           HB2      GLU  19   2.429   7.484  -4.534
  135    HB3  GLU  19           HB3      GLU  19   1.844   6.165  -5.534
  136    HG2  GLU  19           HG2      GLU  19   0.759   5.303  -3.390
  137    HG3  GLU  19           HG3      GLU  19   1.067   6.903  -2.744
  138    H    ILE  20           H        ILE  20   2.545   3.433  -2.974
  139    HA   ILE  20           HA       ILE  20   2.886   1.800  -5.406
  140    HB   ILE  20           HB       ILE  20   3.841  -0.022  -3.980
  141   HG12  ILE  20          HG12      ILE  20   4.769   1.819  -1.912
  142   HG13  ILE  20          HG13      ILE  20   3.031   1.561  -1.882
  143   HG21  ILE  20          HG21      ILE  20   5.459   2.517  -4.094
  144   HG22  ILE  20          HG22      ILE  20   5.304   1.317  -5.377
  145   HG23  ILE  20          HG23      ILE  20   6.109   0.893  -3.866
  146   HD11  ILE  20          HD11      ILE  20   4.132   0.017  -0.410
  147   HD12  ILE  20          HD12      ILE  20   5.167  -0.548  -1.722
  148   HD13  ILE  20          HD13      ILE  20   3.431  -0.862  -1.770
  149    H    VAL  21           H        VAL  21   1.863  -0.295  -5.231
  150    HA   VAL  21           HA       VAL  21  -0.228  -0.462  -3.164
  151    HB   VAL  21           HB       VAL  21  -1.352  -0.312  -5.258
  152   HG11  VAL  21          HG11      VAL  21  -0.843  -1.700  -7.191
  153   HG12  VAL  21          HG12      VAL  21   0.480  -2.459  -6.306
  154   HG13  VAL  21          HG13      VAL  21   0.561  -0.743  -6.708
  155   HG21  VAL  21          HG21      VAL  21  -2.447  -2.495  -5.469
  156   HG22  VAL  21          HG22      VAL  21  -2.242  -2.024  -3.781
  157   HG23  VAL  21          HG23      VAL  21  -1.168  -3.226  -4.499
  158    HA   PRO  22           HA       PRO  22   2.822  -3.404  -1.809
  159    HB2  PRO  22           HB2      PRO  22   0.857  -3.993   0.303
  160    HB3  PRO  22           HB3      PRO  22   2.501  -3.392   0.442
  161    HG2  PRO  22           HG2      PRO  22   0.398  -1.829   0.917
  162    HG3  PRO  22           HG3      PRO  22   1.872  -1.202   0.156
  163    HD2  PRO  22           HD2      PRO  22  -0.739  -1.944  -1.095
  164    HD3  PRO  22           HD3      PRO  22   0.325  -0.565  -1.439
  165    H    ARG  23           H        ARG  23   3.151  -5.577  -1.779
  166    HA   ARG  23           HA       ARG  23   1.181  -7.376  -2.794
  167    HB2  ARG  23           HB2      ARG  23   3.732  -7.928  -1.247
  168    HB3  ARG  23           HB3      ARG  23   2.798  -9.130  -2.116
  169    HG2  ARG  23           HG2      ARG  23   3.295  -7.982  -4.223
  170    HG3  ARG  23           HG3      ARG  23   4.243  -6.787  -3.335
  171    HD2  ARG  23           HD2      ARG  23   5.647  -8.667  -2.484
  172    HD3  ARG  23           HD3      ARG  23   4.780  -9.740  -3.579
  173    HE   ARG  23           HE       ARG  23   5.678  -7.809  -5.230
  174   HH11  ARG  23          HH11      ARG  23   7.224  -9.824  -2.827
  175   HH12  ARG  23          HH12      ARG  23   8.781  -9.785  -3.602
  176   HH21  ARG  23          HH21      ARG  23   7.706  -7.788  -6.289
  177   HH22  ARG  23          HH22      ARG  23   9.043  -8.656  -5.598
  178    H    LEU  24           H        LEU  24  -0.624  -7.562  -1.583
  179    HA   LEU  24           HA       LEU  24  -0.787  -6.756   1.060
  180    HB2  LEU  24           HB2      LEU  24  -2.552  -7.491  -0.950
  181    HB3  LEU  24           HB3      LEU  24  -2.924  -8.541   0.400
  182    HG   LEU  24           HG       LEU  24  -4.244  -6.427   0.342
  183   HD11  LEU  24          HD11      LEU  24  -4.006  -7.650   2.414
  184   HD12  LEU  24          HD12      LEU  24  -3.962  -5.915   2.727
  185   HD13  LEU  24          HD13      LEU  24  -2.467  -6.850   2.733
  186   HD21  LEU  24          HD21      LEU  24  -3.213  -4.341   0.928
  187   HD22  LEU  24          HD22      LEU  24  -2.394  -4.997  -0.490
  188   HD23  LEU  24          HD23      LEU  24  -1.640  -5.116   1.097
  189    HA   PRO  25           HA       PRO  25  -0.848 -11.561   2.283
  190    HB2  PRO  25           HB2      PRO  25   1.326 -12.228   0.352
  191    HB3  PRO  25           HB3      PRO  25   0.038 -13.259   0.986
  192    HG2  PRO  25           HG2      PRO  25  -0.129 -12.310  -1.465
  193    HG3  PRO  25           HG3      PRO  25  -1.561 -12.303  -0.419
  194    HD2  PRO  25           HD2      PRO  25   0.254 -10.047  -1.159
  195    HD3  PRO  25           HD3      PRO  25  -1.508 -10.067  -0.981
  196    H    ASP  26           H        ASP  26   1.885  -9.615   1.193
  197    HA   ASP  26           HA       ASP  26   3.448 -10.553   3.507
  198    HB2  ASP  26           HB2      ASP  26   4.370  -9.375   0.884
  199    HB3  ASP  26           HB3      ASP  26   5.441  -9.748   2.230
  200    H    TYR  27           H        TYR  27   1.896  -7.886   2.130
  201    HA   TYR  27           HA       TYR  27   1.726  -5.689   2.577
  202    HB2  TYR  27           HB2      TYR  27   2.351  -6.888   5.195
  203    HB3  TYR  27           HB3      TYR  27   2.642  -5.157   5.074
  204    HD1  TYR  27           HD2      TYR  27   0.511  -4.157   3.430
  205    HD2  TYR  27           HD1      TYR  27   0.390  -7.237   6.364
  206    HE1  TYR  27           HE2      TYR  27  -1.877  -3.706   3.789
  207    HE2  TYR  27           HE1      TYR  27  -1.999  -6.796   6.734
  208    HH   TYR  27           HH       TYR  27  -3.897  -5.016   4.658
  209    H    ILE  28           H        ILE  28   4.067  -6.454   1.200
  210    HA   ILE  28           HA       ILE  28   6.001  -4.518   2.281
  211    HB   ILE  28           HB       ILE  28   7.717  -5.699   0.908
  212   HG12  ILE  28          HG12      ILE  28   5.592  -7.837   0.684
  213   HG13  ILE  28          HG13      ILE  28   6.143  -6.823  -0.641
  214   HG21  ILE  28          HG21      ILE  28   6.359  -7.310   3.056
  215   HG22  ILE  28          HG22      ILE  28   7.576  -6.055   3.291
  216   HG23  ILE  28          HG23      ILE  28   8.005  -7.559   2.474
  217   HD11  ILE  28          HD11      ILE  28   7.805  -8.813   0.883
  218   HD12  ILE  28          HD12      ILE  28   8.388  -7.777  -0.420
  219   HD13  ILE  28          HD13      ILE  28   7.168  -9.007  -0.750
  220    H    CYS  29           H        CYS  29   7.586  -4.051   0.283
  221    HA   CYS  29           HA       CYS  29   5.985  -2.440  -1.530
  222    HB2  CYS  29           HB2      CYS  29   8.004  -1.573  -0.323
  223    HB3  CYS  29           HB3      CYS  29   8.986  -2.709  -1.221
  224    HA   PRO  30           HA       PRO  30   6.513  -5.457  -4.758
  225    HB2  PRO  30           HB2      PRO  30   5.596  -4.002  -6.836
  226    HB3  PRO  30           HB3      PRO  30   4.519  -4.631  -5.585
  227    HG2  PRO  30           HG2      PRO  30   5.577  -1.870  -5.961
  228    HG3  PRO  30           HG3      PRO  30   3.982  -2.394  -5.395
  229    HD2  PRO  30           HD2      PRO  30   6.053  -1.530  -3.772
  230    HD3  PRO  30           HD3      PRO  30   4.680  -2.522  -3.230
  231    H    ARG  31           H        ARG  31   8.048  -2.426  -4.541
  232    HA   ARG  31           HA       ARG  31   9.758  -2.893  -6.839
  233    HB2  ARG  31           HB2      ARG  31  10.131  -0.588  -4.986
  234    HB3  ARG  31           HB3      ARG  31  10.356  -0.669  -6.724
  235    HG2  ARG  31           HG2      ARG  31   7.724  -1.050  -6.614
  236    HG3  ARG  31           HG3      ARG  31   7.936  -0.117  -5.140
  237    HD2  ARG  31           HD2      ARG  31   7.473   1.399  -6.919
  238    HD3  ARG  31           HD3      ARG  31   9.162   1.582  -6.460
  239    HE   ARG  31           HE       ARG  31   8.360  -0.045  -8.783
  240   HH11  ARG  31          HH11      ARG  31  10.284   2.545  -7.397
  241   HH12  ARG  31          HH12      ARG  31  11.201   2.801  -8.843
  242   HH21  ARG  31          HH21      ARG  31   9.582   0.287 -10.672
  243   HH22  ARG  31          HH22      ARG  31  10.820   1.505 -10.697
  244    H    CYS  32           H        CYS  32  10.113  -2.448  -3.280
  245    HA   CYS  32           HA       CYS  32  12.847  -3.474  -3.639
  246    HB2  CYS  32           HB2      CYS  32  13.647  -2.043  -1.869
  247    HB3  CYS  32           HB3      CYS  32  12.826  -1.069  -3.080
  248    H    GLU  33           H        GLU  33   9.899  -4.133  -2.229
  249    HA   GLU  33           HA       GLU  33   9.155  -5.709  -0.761
  250    HB2  GLU  33           HB2      GLU  33  11.901  -6.908  -1.132
  251    HB3  GLU  33           HB3      GLU  33  10.473  -7.742  -0.544
  252    HG2  GLU  33           HG2      GLU  33   9.406  -7.505  -2.698
  253    HG3  GLU  33           HG3      GLU  33  10.775  -6.568  -3.298
  254    H    SER  34           H        SER  34  10.092  -3.431   0.459
  255    HA   SER  34           HA       SER  34  11.974  -4.165   2.538
  256    HB2  SER  34           HB2      SER  34  12.430  -2.061   1.562
  257    HB3  SER  34           HB3      SER  34  10.743  -1.563   1.651
  258    HG   SER  34           HG       SER  34  12.728  -1.458   3.558
  259    H    GLY  35           H        GLY  35   8.750  -2.637   2.450
  260    HA2  GLY  35           HA2      GLY  35   7.012  -3.411   3.962
  261    HA3  GLY  35           HA3      GLY  35   8.285  -3.720   5.132
  262    H    PHE  36           H        PHE  36   9.603  -1.156   4.226
  263    HA   PHE  36           HA       PHE  36   8.367   0.621   6.078
  264    HB2  PHE  36           HB2      PHE  36  10.610   0.949   4.095
  265    HB3  PHE  36           HB3      PHE  36  10.011   2.300   5.046
  266    HD1  PHE  36           HD2      PHE  36  10.914  -1.258   5.734
  267    HD2  PHE  36           HD1      PHE  36  11.322   2.831   6.814
  268    HE1  PHE  36           HE2      PHE  36  12.398  -1.903   7.586
  269    HE2  PHE  36           HE1      PHE  36  12.806   2.198   8.673
  270    HZ   PHE  36           HZ       PHE  36  13.346  -0.172   9.059
  271    H    ILE  37           H        ILE  37   6.214   0.643   5.166
  272    HA   ILE  37           HA       ILE  37   5.956   2.587   2.988
  273    HB   ILE  37           HB       ILE  37   4.040   1.290   2.082
  274   HG12  ILE  37          HG12      ILE  37   5.006  -0.782   4.058
  275   HG13  ILE  37          HG13      ILE  37   3.412  -0.071   3.957
  276   HG21  ILE  37          HG21      ILE  37   5.466  -0.470   1.003
  277   HG22  ILE  37          HG22      ILE  37   6.766   0.028   2.089
  278   HG23  ILE  37          HG23      ILE  37   6.100   1.174   0.926
  279   HD11  ILE  37          HD11      ILE  37   3.448  -2.360   3.118
  280   HD12  ILE  37          HD12      ILE  37   4.632  -1.893   1.896
  281   HD13  ILE  37          HD13      ILE  37   3.006  -1.212   1.855
  282    H    GLU  38           H        GLU  38   4.062   3.829   3.024
  283    HA   GLU  38           HA       GLU  38   2.718   3.824   5.639
  284    HB2  GLU  38           HB2      GLU  38   3.583   6.052   3.844
  285    HB3  GLU  38           HB3      GLU  38   2.240   6.294   4.957
  286    HG2  GLU  38           HG2      GLU  38   3.779   5.525   6.794
  287    HG3  GLU  38           HG3      GLU  38   5.089   5.624   5.617
  288    H    GLU  39           H        GLU  39   0.679   3.287   5.643
  289    HA   GLU  39           HA       GLU  39  -0.912   3.061   3.291
  290    HB2  GLU  39           HB2      GLU  39  -1.060   1.675   5.428
  291    HB3  GLU  39           HB3      GLU  39  -1.859   3.050   6.161
  292    HG2  GLU  39           HG2      GLU  39  -2.896   1.749   3.671
  293    HG3  GLU  39           HG3      GLU  39  -3.306   1.160   5.278
  294    H    LEU  40           H        LEU  40  -1.781   4.714   2.275
  295    HA   LEU  40           HA       LEU  40  -1.761   7.331   3.447
  296    HB2  LEU  40           HB2      LEU  40  -2.782   6.390   0.779
  297    HB3  LEU  40           HB3      LEU  40  -2.601   8.067   1.252
  298    HG   LEU  40           HG       LEU  40  -0.352   6.079   0.950
  299   HD11  LEU  40          HD11      LEU  40  -1.214   6.621  -1.188
  300   HD12  LEU  40          HD12      LEU  40   0.283   7.522  -0.955
  301   HD13  LEU  40          HD13      LEU  40  -1.271   8.338  -0.791
  302   HD21  LEU  40          HD21      LEU  40   1.102   8.047   1.214
  303   HD22  LEU  40          HD22      LEU  40   0.160   7.713   2.664
  304   HD23  LEU  40          HD23      LEU  40  -0.317   9.025   1.586
  Start of MODEL   11
    1    H1   GLY  -1           H1       GLY  -1 -13.862  -2.772  16.848
    2    H2   GLY  -1           H2       GLY  -1 -13.375  -3.436  15.372
    3    H3   GLY  -1           H3       GLY  -1 -14.571  -2.245  15.406
    4    HA2  GLY  -1           HA3      GLY  -1 -12.988  -0.622  16.213
    5    HA3  GLY  -1           HA2      GLY  -1 -11.741  -1.861  16.196
    6    H    SER   0           H        SER   0 -11.068   0.226  14.845
    7    HA   SER   0           HA       SER   0 -10.545   1.187  12.878
    8    HB2  SER   0           HB2      SER   0  -9.869  -0.367  11.065
    9    HB3  SER   0           HB3      SER   0  -9.216  -0.821  12.637
   10    HG   SER   0           HG       SER   0 -11.620  -1.994  12.185
   11    H    MET   1           H        MET   1 -12.574   2.300  12.782
   12    HA   MET   1           HA       MET   1 -14.670   1.249  11.099
   13    HB2  MET   1           HB2      MET   1 -15.695   3.510  11.397
   14    HB3  MET   1           HB3      MET   1 -15.362   2.670  12.902
   15    HG2  MET   1           HG2      MET   1 -13.475   4.041  13.344
   16    HG3  MET   1           HG3      MET   1 -13.532   4.746  11.729
   17    HE1  MET   1           HE1      MET   1 -15.177   6.537  10.942
   18    HE2  MET   1           HE2      MET   1 -16.592   7.081  11.844
   19    HE3  MET   1           HE3      MET   1 -16.531   5.438  11.206
   20    H    ALA   2           H        ALA   2 -12.453   1.127   9.634
   21    HA   ALA   2           HA       ALA   2 -12.849   3.240   7.628
   22    HB1  ALA   2           HB1      ALA   2 -10.737   3.653   8.819
   23    HB2  ALA   2           HB2      ALA   2 -10.466   3.234   7.128
   24    HB3  ALA   2           HB3      ALA   2 -10.188   2.033   8.388
   25    H    GLU   3           H        GLU   3 -14.214   0.880   7.643
   26    HA   GLU   3           HA       GLU   3 -12.817  -0.959   5.879
   27    HB2  GLU   3           HB2      GLU   3 -15.504  -1.200   7.234
   28    HB3  GLU   3           HB3      GLU   3 -14.760  -2.440   6.236
   29    HG2  GLU   3           HG2      GLU   3 -12.878  -2.531   7.806
   30    HG3  GLU   3           HG3      GLU   3 -13.717  -1.380   8.843
   31    H    ALA   4           H        ALA   4 -14.207   1.800   5.303
   32    HA   ALA   4           HA       ALA   4 -16.173   1.339   3.355
   33    HB1  ALA   4           HB1      ALA   4 -15.632   3.548   2.502
   34    HB2  ALA   4           HB2      ALA   4 -14.109   3.543   3.390
   35    HB3  ALA   4           HB3      ALA   4 -15.641   3.569   4.264
   36    H    SER   5           H        SER   5 -12.676   1.323   3.236
   37    HA   SER   5           HA       SER   5 -12.799   0.064   0.587
   38    HB2  SER   5           HB2      SER   5 -10.392   1.135   2.086
   39    HB3  SER   5           HB3      SER   5 -10.410   0.534   0.428
   40    HG   SER   5           HG       SER   5 -12.293   2.423   0.711
   41    HA   PRO   6           HA       PRO   6 -12.804  -3.742   3.022
   42    HB2  PRO   6           HB2      PRO   6 -12.134  -4.704   0.269
   43    HB3  PRO   6           HB3      PRO   6 -13.290  -5.355   1.439
   44    HG2  PRO   6           HG2      PRO   6 -14.148  -3.899  -0.601
   45    HG3  PRO   6           HG3      PRO   6 -14.860  -3.693   1.012
   46    HD2  PRO   6           HD2      PRO   6 -12.949  -1.938  -0.456
   47    HD3  PRO   6           HD3      PRO   6 -14.245  -1.502   0.673
   48    H    HIS   7           H        HIS   7 -10.256  -2.843   0.721
   49    HA   HIS   7           HA       HIS   7  -8.310  -3.782   2.669
   50    HB2  HIS   7           HB2      HIS   7  -6.987  -5.035   1.093
   51    HB3  HIS   7           HB3      HIS   7  -8.615  -5.677   1.071
   52    HD1  HIS   7           HD1      HIS   7  -6.212  -3.664  -1.015
   53    HD2  HIS   7           HD2      HIS   7  -9.909  -5.538  -1.373
   54    HE1  HIS   7           HE1      HIS   7  -6.739  -3.661  -3.473
   55    HE2  HIS   7           HE2      HIS   7  -8.970  -4.814  -3.672
   56    HA   PRO   8           HA       PRO   8  -6.321   0.071   1.531
   57    HB2  PRO   8           HB2      PRO   8  -3.933  -1.425   2.492
   58    HB3  PRO   8           HB3      PRO   8  -4.518   0.175   2.966
   59    HG2  PRO   8           HG2      PRO   8  -4.822  -1.891   4.594
   60    HG3  PRO   8           HG3      PRO   8  -6.135  -0.711   4.394
   61    HD2  PRO   8           HD2      PRO   8  -5.845  -3.446   3.202
   62    HD3  PRO   8           HD3      PRO   8  -7.284  -2.662   3.886
   63    H    GLY   9           H        GLY   9  -4.676   0.780   0.012
   64    HA2  GLY   9           HA2      GLY   9  -3.440  -1.260  -1.651
   65    HA3  GLY   9           HA3      GLY   9  -4.673  -0.288  -2.438
   66    H    ARG  10           H        ARG  10  -4.279   2.178  -1.570
   67    HA   ARG  10           HA       ARG  10  -1.886   2.990  -2.878
   68    HB2  ARG  10           HB2      ARG  10  -2.601   5.288  -2.076
   69    HB3  ARG  10           HB3      ARG  10  -3.741   4.434  -3.108
   70    HG2  ARG  10           HG2      ARG  10  -5.187   3.982  -1.346
   71    HG3  ARG  10           HG3      ARG  10  -3.955   4.292  -0.126
   72    HD2  ARG  10           HD2      ARG  10  -4.691   6.371   0.036
   73    HD3  ARG  10           HD3      ARG  10  -4.220   6.652  -1.638
   74    HE   ARG  10           HE       ARG  10  -6.521   5.743  -2.189
   75   HH11  ARG  10          HH11      ARG  10  -5.824   7.363   0.837
   76   HH12  ARG  10          HH12      ARG  10  -7.429   8.012   1.001
   77   HH21  ARG  10          HH21      ARG  10  -8.648   6.559  -1.944
   78   HH22  ARG  10          HH22      ARG  10  -9.037   7.537  -0.563
   79    H    TYR  11           H        TYR  11   0.002   2.594  -1.933
   80    HA   TYR  11           HA       TYR  11   0.371   3.567   0.823
   81    HB2  TYR  11           HB2      TYR  11   1.449   1.128  -0.533
   82    HB3  TYR  11           HB3      TYR  11   2.404   1.916   0.716
   83    HD1  TYR  11           HD2      TYR  11  -1.079   0.676   0.164
   84    HD2  TYR  11           HD1      TYR  11   2.149   1.214   2.875
   85    HE1  TYR  11           HE2      TYR  11  -2.327  -0.533   1.891
   86    HE2  TYR  11           HE1      TYR  11   0.917   0.007   4.609
   87    HH   TYR  11           HH       TYR  11  -1.856  -1.828   3.945
   88    H    PHE  12           H        PHE  12   2.595   4.247   1.285
   89    HA   PHE  12           HA       PHE  12   4.030   5.175  -1.103
   90    HB2  PHE  12           HB2      PHE  12   2.714   6.954   0.215
   91    HB3  PHE  12           HB3      PHE  12   3.948   6.756   1.454
   92    HD1  PHE  12           HD1      PHE  12   3.277   7.787  -1.984
   93    HD2  PHE  12           HD2      PHE  12   6.136   7.641   1.156
   94    HE1  PHE  12           HE1      PHE  12   4.711   9.361  -3.225
   95    HE2  PHE  12           HE2      PHE  12   7.588   9.213  -0.077
   96    HZ   PHE  12           HZ       PHE  12   6.865  10.080  -2.267
   97    H    CYS  13           H        CYS  13   5.868   4.098  -1.165
   98    HA   CYS  13           HA       CYS  13   6.937   2.820   1.167
   99    HB2  CYS  13           HB2      CYS  13   7.150   1.656  -0.917
  100    HB3  CYS  13           HB3      CYS  13   7.930   3.037  -1.672
  101    H    HIS  14           H        HIS  14   8.457   3.524   2.504
  102    HA   HIS  14           HA       HIS  14   9.472   6.205   2.189
  103    HB2  HIS  14           HB2      HIS  14   9.453   4.156   4.345
  104    HB3  HIS  14           HB3      HIS  14  10.737   5.361   4.391
  105    HD1  HIS  14           HD1      HIS  14   9.639   6.302   6.586
  106    HD2  HIS  14           HD2      HIS  14   7.303   6.642   3.164
  107    HE1  HIS  14           HE1      HIS  14   7.823   7.938   7.168
  108    HE2  HIS  14           HE2      HIS  14   6.383   8.085   5.108
  109    H    CYS  15           H        CYS  15  10.526   3.089   1.379
  110    HA   CYS  15           HA       CYS  15  13.351   3.725   1.413
  111    HB2  CYS  15           HB2      CYS  15  12.477   1.432   1.877
  112    HB3  CYS  15           HB3      CYS  15  11.926   1.339   0.213
  113    HG   CYS  15           HG       CYS  15  14.413  -0.097   0.910
  114    H    CYS  16           H        CYS  16  10.764   3.322  -0.948
  115    HA   CYS  16           HA       CYS  16  12.554   4.036  -3.143
  116    HB2  CYS  16           HB2      CYS  16   9.626   3.285  -3.156
  117    HB3  CYS  16           HB3      CYS  16  10.585   3.616  -4.585
  118    H    SER  17           H        SER  17  10.477   5.518  -0.987
  119    HA   SER  17           HA       SER  17   9.267   7.403  -0.832
  120    HB2  SER  17           HB2      SER  17  10.361   9.471  -1.700
  121    HB3  SER  17           HB3      SER  17  11.409   8.454  -0.718
  122    HG   SER  17           HG       SER  17  11.571   7.798  -3.352
  123    H    VAL  18           H        VAL  18   8.205   5.729  -2.671
  124    HA   VAL  18           HA       VAL  18   6.906   7.622  -4.484
  125    HB   VAL  18           HB       VAL  18   6.831   6.008  -6.308
  126   HG11  VAL  18          HG11      VAL  18   9.150   6.089  -7.026
  127   HG12  VAL  18          HG12      VAL  18   9.663   6.440  -5.375
  128   HG13  VAL  18          HG13      VAL  18   8.681   7.609  -6.262
  129   HG21  VAL  18          HG21      VAL  18   8.570   4.292  -4.552
  130   HG22  VAL  18          HG22      VAL  18   8.201   3.967  -6.244
  131   HG23  VAL  18          HG23      VAL  18   6.912   3.953  -5.041
  132    H    GLU  19           H        GLU  19   4.867   6.736  -5.338
  133    HA   GLU  19           HA       GLU  19   3.392   5.548  -3.136
  134    HB2  GLU  19           HB2      GLU  19   2.646   7.576  -4.510
  135    HB3  GLU  19           HB3      GLU  19   2.278   6.435  -5.794
  136    HG2  GLU  19           HG2      GLU  19   1.005   5.302  -3.699
  137    HG3  GLU  19           HG3      GLU  19   0.861   7.009  -3.300
  138    H    ILE  20           H        ILE  20   2.732   3.477  -3.082
  139    HA   ILE  20           HA       ILE  20   3.075   1.835  -5.514
  140    HB   ILE  20           HB       ILE  20   3.962   0.007  -4.061
  141   HG12  ILE  20          HG12      ILE  20   4.866   1.805  -1.957
  142   HG13  ILE  20          HG13      ILE  20   3.117   1.631  -1.987
  143   HG21  ILE  20          HG21      ILE  20   5.578   2.545  -4.175
  144   HG22  ILE  20          HG22      ILE  20   5.509   1.266  -5.390
  145   HG23  ILE  20          HG23      ILE  20   6.235   0.948  -3.815
  146   HD11  ILE  20          HD11      ILE  20   3.418  -0.819  -1.904
  147   HD12  ILE  20          HD12      ILE  20   4.054   0.023  -0.492
  148   HD13  ILE  20          HD13      ILE  20   5.155  -0.562  -1.739
  149    H    VAL  21           H        VAL  21   2.048  -0.265  -5.373
  150    HA   VAL  21           HA       VAL  21  -0.115  -0.443  -3.386
  151    HB   VAL  21           HB       VAL  21  -1.180  -0.295  -5.502
  152   HG11  VAL  21          HG11      VAL  21   0.743  -2.378  -6.518
  153   HG12  VAL  21          HG12      VAL  21   0.766  -0.659  -6.909
  154   HG13  VAL  21          HG13      VAL  21  -0.587  -1.666  -7.431
  155   HG21  VAL  21          HG21      VAL  21  -0.973  -3.216  -4.779
  156   HG22  VAL  21          HG22      VAL  21  -2.229  -2.496  -5.786
  157   HG23  VAL  21          HG23      VAL  21  -2.095  -2.044  -4.086
  158    HA   PRO  22           HA       PRO  22   2.922  -3.381  -1.969
  159    HB2  PRO  22           HB2      PRO  22   0.958  -3.947   0.142
  160    HB3  PRO  22           HB3      PRO  22   2.598  -3.316   0.274
  161    HG2  PRO  22           HG2      PRO  22   0.465  -1.776   0.716
  162    HG3  PRO  22           HG3      PRO  22   1.928  -1.138  -0.056
  163    HD2  PRO  22           HD2      PRO  22  -0.661  -1.973  -1.299
  164    HD3  PRO  22           HD3      PRO  22   0.358  -0.563  -1.655
  165    H    ARG  23           H        ARG  23   3.221  -5.577  -1.684
  166    HA   ARG  23           HA       ARG  23   1.227  -7.402  -2.674
  167    HB2  ARG  23           HB2      ARG  23   3.815  -7.925  -1.183
  168    HB3  ARG  23           HB3      ARG  23   2.840  -9.145  -1.977
  169    HG2  ARG  23           HG2      ARG  23   3.283  -8.076  -4.141
  170    HG3  ARG  23           HG3      ARG  23   4.293  -6.879  -3.326
  171    HD2  ARG  23           HD2      ARG  23   5.672  -8.772  -2.457
  172    HD3  ARG  23           HD3      ARG  23   4.741  -9.849  -3.489
  173    HE   ARG  23           HE       ARG  23   5.616  -8.063  -5.264
  174   HH11  ARG  23          HH11      ARG  23   7.248  -9.845  -2.744
  175   HH12  ARG  23          HH12      ARG  23   8.808  -9.787  -3.516
  176   HH21  ARG  23          HH21      ARG  23   7.655  -8.010  -6.325
  177   HH22  ARG  23          HH22      ARG  23   9.024  -8.770  -5.579
  178    H    LEU  24           H        LEU  24  -0.547  -7.583  -1.423
  179    HA   LEU  24           HA       LEU  24  -0.695  -6.626   1.169
  180    HB2  LEU  24           HB2      LEU  24  -2.452  -7.628  -0.792
  181    HB3  LEU  24           HB3      LEU  24  -2.832  -8.418   0.722
  182    HG   LEU  24           HG       LEU  24  -4.128  -6.337   0.307
  183   HD11  LEU  24          HD11      LEU  24  -2.319  -6.270   2.709
  184   HD12  LEU  24          HD12      LEU  24  -3.815  -7.192   2.569
  185   HD13  LEU  24          HD13      LEU  24  -3.860  -5.430   2.548
  186   HD21  LEU  24          HD21      LEU  24  -2.279  -5.110  -0.798
  187   HD22  LEU  24          HD22      LEU  24  -1.502  -4.941   0.777
  188   HD23  LEU  24          HD23      LEU  24  -3.072  -4.193   0.481
  189    HA   PRO  25           HA       PRO  25  -0.793 -11.357   2.669
  190    HB2  PRO  25           HB2      PRO  25   1.308 -12.200   0.723
  191    HB3  PRO  25           HB3      PRO  25   0.014 -13.153   1.455
  192    HG2  PRO  25           HG2      PRO  25  -0.226 -12.351  -1.034
  193    HG3  PRO  25           HG3      PRO  25  -1.614 -12.212   0.063
  194    HD2  PRO  25           HD2      PRO  25   0.284 -10.091  -0.867
  195    HD3  PRO  25           HD3      PRO  25  -1.473 -10.019  -0.659
  196    H    ASP  26           H        ASP  26   2.081  -9.732   1.358
  197    HA   ASP  26           HA       ASP  26   3.596 -10.508   3.755
  198    HB2  ASP  26           HB2      ASP  26   4.476  -9.462   1.067
  199    HB3  ASP  26           HB3      ASP  26   5.568  -9.572   2.442
  200    H    TYR  27           H        TYR  27   2.012  -7.896   2.317
  201    HA   TYR  27           HA       TYR  27   1.831  -5.688   2.693
  202    HB2  TYR  27           HB2      TYR  27   2.392  -6.826   5.331
  203    HB3  TYR  27           HB3      TYR  27   2.816  -5.124   5.195
  204    HD1  TYR  27           HD2      TYR  27   0.639  -4.293   3.254
  205    HD2  TYR  27           HD1      TYR  27   0.528  -6.695   6.769
  206    HE1  TYR  27           HE2      TYR  27  -1.705  -3.664   3.605
  207    HE2  TYR  27           HE1      TYR  27  -1.824  -6.069   7.124
  208    HH   TYR  27           HH       TYR  27  -3.324  -4.108   6.475
  209    H    ILE  28           H        ILE  28   4.106  -6.436   1.290
  210    HA   ILE  28           HA       ILE  28   6.084  -4.502   2.290
  211    HB   ILE  28           HB       ILE  28   7.744  -5.690   0.853
  212   HG12  ILE  28          HG12      ILE  28   5.607  -7.829   0.741
  213   HG13  ILE  28          HG13      ILE  28   6.113  -6.833  -0.617
  214   HG21  ILE  28          HG21      ILE  28   6.487  -7.299   3.068
  215   HG22  ILE  28          HG22      ILE  28   7.685  -6.019   3.253
  216   HG23  ILE  28          HG23      ILE  28   8.118  -7.517   2.431
  217   HD11  ILE  28          HD11      ILE  28   8.344  -7.799  -0.500
  218   HD12  ILE  28          HD12      ILE  28   7.113  -9.045  -0.700
  219   HD13  ILE  28          HD13      ILE  28   7.849  -8.780   0.880
  220    H    CYS  29           H        CYS  29   7.596  -4.057   0.231
  221    HA   CYS  29           HA       CYS  29   5.951  -2.437  -1.533
  222    HB2  CYS  29           HB2      CYS  29   7.997  -1.587  -0.380
  223    HB3  CYS  29           HB3      CYS  29   8.952  -2.761  -1.257
  224    HA   PRO  30           HA       PRO  30   6.385  -5.483  -4.756
  225    HB2  PRO  30           HB2      PRO  30   5.457  -4.072  -6.849
  226    HB3  PRO  30           HB3      PRO  30   4.384  -4.597  -5.546
  227    HG2  PRO  30           HG2      PRO  30   5.565  -1.907  -6.066
  228    HG3  PRO  30           HG3      PRO  30   3.959  -2.325  -5.449
  229    HD2  PRO  30           HD2      PRO  30   6.115  -1.510  -3.905
  230    HD3  PRO  30           HD3      PRO  30   4.692  -2.384  -3.294
  231    H    ARG  31           H        ARG  31   8.039  -2.566  -4.498
  232    HA   ARG  31           HA       ARG  31   9.722  -3.027  -6.830
  233    HB2  ARG  31           HB2      ARG  31  10.128  -0.748  -4.955
  234    HB3  ARG  31           HB3      ARG  31  10.335  -0.810  -6.693
  235    HG2  ARG  31           HG2      ARG  31   7.806  -1.000  -6.809
  236    HG3  ARG  31           HG3      ARG  31   7.808  -0.544  -5.119
  237    HD2  ARG  31           HD2      ARG  31   7.472   1.351  -6.688
  238    HD3  ARG  31           HD3      ARG  31   8.832   1.538  -5.592
  239    HE   ARG  31           HE       ARG  31  10.201   0.715  -7.582
  240   HH11  ARG  31          HH11      ARG  31   7.259   2.593  -7.907
  241   HH12  ARG  31          HH12      ARG  31   7.745   3.330  -9.395
  242   HH21  ARG  31          HH21      ARG  31  10.845   1.693  -9.541
  243   HH22  ARG  31          HH22      ARG  31   9.782   2.818 -10.325
  244    H    CYS  32           H        CYS  32  10.191  -2.300  -3.327
  245    HA   CYS  32           HA       CYS  32  12.869  -3.466  -3.648
  246    HB2  CYS  32           HB2      CYS  32  13.642  -2.070  -1.834
  247    HB3  CYS  32           HB3      CYS  32  12.843  -1.072  -3.040
  248    H    GLU  33           H        GLU  33   9.896  -4.085  -2.276
  249    HA   GLU  33           HA       GLU  33   9.098  -5.714  -0.904
  250    HB2  GLU  33           HB2      GLU  33  11.802  -6.955  -1.433
  251    HB3  GLU  33           HB3      GLU  33  10.376  -7.800  -0.848
  252    HG2  GLU  33           HG2      GLU  33   9.216  -7.377  -2.910
  253    HG3  GLU  33           HG3      GLU  33  10.547  -6.381  -3.493
  254    H    SER  34           H        SER  34  10.250  -3.528   0.422
  255    HA   SER  34           HA       SER  34  11.944  -4.573   2.528
  256    HB2  SER  34           HB2      SER  34  12.709  -2.508   1.692
  257    HB3  SER  34           HB3      SER  34  11.091  -1.808   1.706
  258    HG   SER  34           HG       SER  34  12.922  -2.146   3.784
  259    H    GLY  35           H        GLY  35   8.947  -2.629   2.433
  260    HA2  GLY  35           HA2      GLY  35   7.079  -3.532   3.810
  261    HA3  GLY  35           HA3      GLY  35   8.294  -3.772   5.052
  262    H    PHE  36           H        PHE  36   9.636  -1.232   4.296
  263    HA   PHE  36           HA       PHE  36   8.225   0.560   5.981
  264    HB2  PHE  36           HB2      PHE  36  10.589   0.855   4.151
  265    HB3  PHE  36           HB3      PHE  36   9.876   2.260   4.931
  266    HD1  PHE  36           HD1      PHE  36  11.578  -0.955   5.543
  267    HD2  PHE  36           HD2      PHE  36  10.218   2.716   7.196
  268    HE1  PHE  36           HE1      PHE  36  12.880  -1.400   7.585
  269    HE2  PHE  36           HE2      PHE  36  11.517   2.284   9.245
  270    HZ   PHE  36           HZ       PHE  36  12.851   0.222   9.439
  271    H    ILE  37           H        ILE  37   6.127   0.692   5.097
  272    HA   ILE  37           HA       ILE  37   5.925   2.556   2.851
  273    HB   ILE  37           HB       ILE  37   3.989   1.292   1.962
  274   HG12  ILE  37          HG12      ILE  37   4.859  -0.731   4.023
  275   HG13  ILE  37          HG13      ILE  37   3.280  -0.004   3.834
  276   HG21  ILE  37          HG21      ILE  37   5.360  -0.532   0.927
  277   HG22  ILE  37          HG22      ILE  37   6.667  -0.071   2.019
  278   HG23  ILE  37          HG23      ILE  37   6.062   1.084   0.829
  279   HD11  ILE  37          HD11      ILE  37   2.951  -1.219   1.755
  280   HD12  ILE  37          HD12      ILE  37   3.294  -2.316   3.092
  281   HD13  ILE  37          HD13      ILE  37   4.553  -1.938   1.914
  282    H    GLU  38           H        GLU  38   4.006   3.795   2.826
  283    HA   GLU  38           HA       GLU  38   2.710   3.918   5.461
  284    HB2  GLU  38           HB2      GLU  38   3.373   6.094   3.504
  285    HB3  GLU  38           HB3      GLU  38   2.340   6.335   4.910
  286    HG2  GLU  38           HG2      GLU  38   5.236   5.530   4.891
  287    HG3  GLU  38           HG3      GLU  38   4.552   7.057   5.427
  288    H    GLU  39           H        GLU  39   0.650   3.413   5.516
  289    HA   GLU  39           HA       GLU  39  -0.927   3.042   3.154
  290    HB2  GLU  39           HB2      GLU  39  -1.012   1.752   5.373
  291    HB3  GLU  39           HB3      GLU  39  -1.913   3.112   6.008
  292    HG2  GLU  39           HG2      GLU  39  -2.805   1.630   3.563
  293    HG3  GLU  39           HG3      GLU  39  -3.204   1.075   5.186
  294    H    LEU  40           H        LEU  40  -1.549   4.793   2.049
  295    HA   LEU  40           HA       LEU  40  -1.599   7.376   3.242
  296    HB2  LEU  40           HB2      LEU  40  -2.419   6.468   0.498
  297    HB3  LEU  40           HB3      LEU  40  -2.246   8.142   0.985
  298    HG   LEU  40           HG       LEU  40  -0.027   6.098   0.870
  299   HD11  LEU  40          HD11      LEU  40   0.818   7.454  -0.967
  300   HD12  LEU  40          HD12      LEU  40  -0.620   8.470  -0.876
  301   HD13  LEU  40          HD13      LEU  40  -0.765   6.771  -1.329
  302   HD21  LEU  40          HD21      LEU  40   1.449   8.012   1.319
  303   HD22  LEU  40          HD22      LEU  40   0.356   7.687   2.662
  304   HD23  LEU  40          HD23      LEU  40   0.032   9.030   1.565
  Start of MODEL   12
    1    H1   GLY  -1           H1       GLY  -1 -26.246  -7.430  -1.667
    2    H2   GLY  -1           H2       GLY  -1 -27.259  -8.536  -0.893
    3    H3   GLY  -1           H3       GLY  -1 -27.536  -8.126  -2.509
    4    HA2  GLY  -1           HA3      GLY  -1 -26.516 -10.291  -2.382
    5    HA3  GLY  -1           HA2      GLY  -1 -25.439  -9.133  -3.149
    6    H    SER   0           H        SER   0 -23.960 -10.983  -2.446
    7    HA   SER   0           HA       SER   0 -22.681 -10.156   0.045
    8    HB2  SER   0           HB2      SER   0 -24.130 -12.062   0.661
    9    HB3  SER   0           HB3      SER   0 -23.362 -13.043  -0.584
   10    HG   SER   0           HG       SER   0 -21.908 -11.825   1.525
   11    H    MET   1           H        MET   1 -20.508 -10.146  -0.107
   12    HA   MET   1           HA       MET   1 -18.438 -10.178  -1.038
   13    HB2  MET   1           HB2      MET   1 -19.391 -12.889  -1.980
   14    HB3  MET   1           HB3      MET   1 -17.722 -12.345  -2.037
   15    HG2  MET   1           HG2      MET   1 -17.688 -12.150   0.388
   16    HG3  MET   1           HG3      MET   1 -19.374 -12.658   0.459
   17    HE1  MET   1           HE1      MET   1 -17.494 -15.742   1.949
   18    HE2  MET   1           HE2      MET   1 -18.765 -14.546   2.202
   19    HE3  MET   1           HE3      MET   1 -17.076 -14.041   2.157
   20    H    ALA   2           H        ALA   2 -20.167  -8.684  -2.483
   21    HA   ALA   2           HA       ALA   2 -19.834  -9.490  -5.286
   22    HB1  ALA   2           HB1      ALA   2 -21.762  -7.509  -4.080
   23    HB2  ALA   2           HB2      ALA   2 -22.146  -9.156  -4.584
   24    HB3  ALA   2           HB3      ALA   2 -21.668  -7.955  -5.785
   25    H    GLU   3           H        GLU   3 -18.894  -7.196  -2.917
   26    HA   GLU   3           HA       GLU   3 -17.177  -5.932  -4.857
   27    HB2  GLU   3           HB2      GLU   3 -19.331  -4.602  -4.810
   28    HB3  GLU   3           HB3      GLU   3 -18.954  -4.201  -3.141
   29    HG2  GLU   3           HG2      GLU   3 -18.281  -2.388  -4.534
   30    HG3  GLU   3           HG3      GLU   3 -16.832  -3.183  -3.915
   31    H    ALA   4           H        ALA   4 -18.322  -5.279  -1.561
   32    HA   ALA   4           HA       ALA   4 -17.287  -5.104   0.434
   33    HB1  ALA   4           HB1      ALA   4 -15.423  -6.564   0.941
   34    HB2  ALA   4           HB2      ALA   4 -15.158  -6.860  -0.778
   35    HB3  ALA   4           HB3      ALA   4 -16.635  -7.429  -0.003
   36    H    SER   5           H        SER   5 -14.249  -5.366  -1.336
   37    HA   SER   5           HA       SER   5 -12.412  -4.037  -1.370
   38    HB2  SER   5           HB2      SER   5 -13.913  -2.846  -2.963
   39    HB3  SER   5           HB3      SER   5 -14.461  -1.822  -1.638
   40    HG   SER   5           HG       SER   5 -12.704  -0.994  -3.023
   41    HA   PRO   6           HA       PRO   6 -12.818  -2.424   2.953
   42    HB2  PRO   6           HB2      PRO   6 -12.469  -4.620   4.442
   43    HB3  PRO   6           HB3      PRO   6 -14.023  -4.261   3.684
   44    HG2  PRO   6           HG2      PRO   6 -12.062  -6.348   3.015
   45    HG3  PRO   6           HG3      PRO   6 -13.780  -6.251   2.600
   46    HD2  PRO   6           HD2      PRO   6 -11.462  -5.509   0.994
   47    HD3  PRO   6           HD3      PRO   6 -13.166  -5.627   0.505
   48    H    HIS   7           H        HIS   7 -10.342  -3.241   1.098
   49    HA   HIS   7           HA       HIS   7  -8.401  -3.265   3.318
   50    HB2  HIS   7           HB2      HIS   7  -6.924  -4.677   2.087
   51    HB3  HIS   7           HB3      HIS   7  -8.504  -5.425   2.021
   52    HD1  HIS   7           HD1      HIS   7  -5.993  -3.632  -0.123
   53    HD2  HIS   7           HD2      HIS   7  -9.576  -5.707  -0.535
   54    HE1  HIS   7           HE1      HIS   7  -6.251  -4.059  -2.586
   55    HE2  HIS   7           HE2      HIS   7  -8.502  -5.157  -2.826
   56    HA   PRO   8           HA       PRO   8  -6.667   0.363   1.471
   57    HB2  PRO   8           HB2      PRO   8  -4.150   0.215   2.482
   58    HB3  PRO   8           HB3      PRO   8  -5.543   0.729   3.433
   59    HG2  PRO   8           HG2      PRO   8  -4.110  -1.871   3.406
   60    HG3  PRO   8           HG3      PRO   8  -4.888  -1.028   4.753
   61    HD2  PRO   8           HD2      PRO   8  -5.961  -3.159   3.390
   62    HD3  PRO   8           HD3      PRO   8  -6.899  -1.985   4.324
   63    H    GLY   9           H        GLY   9  -4.885   1.044   0.009
   64    HA2  GLY   9           HA2      GLY   9  -3.563  -1.144  -1.397
   65    HA3  GLY   9           HA3      GLY   9  -4.732  -0.209  -2.315
   66    H    ARG  10           H        ARG  10  -4.305   2.317  -1.571
   67    HA   ARG  10           HA       ARG  10  -1.863   2.976  -2.863
   68    HB2  ARG  10           HB2      ARG  10  -2.459   5.336  -2.193
   69    HB3  ARG  10           HB3      ARG  10  -3.663   4.498  -3.161
   70    HG2  ARG  10           HG2      ARG  10  -5.139   4.308  -1.410
   71    HG3  ARG  10           HG3      ARG  10  -3.877   4.459  -0.188
   72    HD2  ARG  10           HD2      ARG  10  -4.503   6.585   0.001
   73    HD3  ARG  10           HD3      ARG  10  -3.743   6.837  -1.567
   74    HE   ARG  10           HE       ARG  10  -6.052   6.270  -2.477
   75   HH11  ARG  10          HH11      ARG  10  -5.538   7.759   0.657
   76   HH12  ARG  10          HH12      ARG  10  -7.028   8.660   0.605
   77   HH21  ARG  10          HH21      ARG  10  -8.017   7.449  -2.532
   78   HH22  ARG  10          HH22      ARG  10  -8.428   8.486  -1.205
   79    H    TYR  11           H        TYR  11   0.007   2.572  -1.913
   80    HA   TYR  11           HA       TYR  11   0.392   3.554   0.837
   81    HB2  TYR  11           HB2      TYR  11   1.386   1.074  -0.500
   82    HB3  TYR  11           HB3      TYR  11   2.386   1.844   0.722
   83    HD1  TYR  11           HD1      TYR  11  -1.106   0.611   0.217
   84    HD2  TYR  11           HD2      TYR  11   2.101   1.295   2.924
   85    HE1  TYR  11           HE1      TYR  11  -2.368  -0.518   2.001
   86    HE2  TYR  11           HE2      TYR  11   0.862   0.173   4.705
   87    HH   TYR  11           HH       TYR  11  -1.429  -0.397   5.289
   88    H    PHE  12           H        PHE  12   2.645   4.165   1.305
   89    HA   PHE  12           HA       PHE  12   4.091   5.080  -1.081
   90    HB2  PHE  12           HB2      PHE  12   2.755   6.871   0.207
   91    HB3  PHE  12           HB3      PHE  12   3.990   6.698   1.451
   92    HD1  PHE  12           HD1      PHE  12   3.300   7.693  -1.990
   93    HD2  PHE  12           HD2      PHE  12   6.189   7.572   1.129
   94    HE1  PHE  12           HE1      PHE  12   4.726   9.255  -3.255
   95    HE2  PHE  12           HE2      PHE  12   7.632   9.131  -0.133
   96    HZ   PHE  12           HZ       PHE  12   6.892   9.975  -2.326
   97    H    CYS  13           H        CYS  13   5.946   4.025  -1.119
   98    HA   CYS  13           HA       CYS  13   7.013   2.778   1.233
   99    HB2  CYS  13           HB2      CYS  13   7.236   1.582  -0.823
  100    HB3  CYS  13           HB3      CYS  13   7.988   2.957  -1.612
  101    H    HIS  14           H        HIS  14   8.622   3.424   2.510
  102    HA   HIS  14           HA       HIS  14   9.530   6.146   2.269
  103    HB2  HIS  14           HB2      HIS  14   9.637   4.026   4.340
  104    HB3  HIS  14           HB3      HIS  14  10.906   5.247   4.388
  105    HD1  HIS  14           HD1      HIS  14  10.169   6.595   6.370
  106    HD2  HIS  14           HD2      HIS  14   7.114   6.003   3.612
  107    HE1  HIS  14           HE1      HIS  14   8.269   8.056   7.137
  108    HE2  HIS  14           HE2      HIS  14   6.482   7.786   5.378
  109    H    CYS  15           H        CYS  15  10.737   3.076   1.366
  110    HA   CYS  15           HA       CYS  15  13.505   3.940   1.324
  111    HB2  CYS  15           HB2      CYS  15  12.850   1.583   1.846
  112    HB3  CYS  15           HB3      CYS  15  12.294   1.413   0.188
  113    HG   CYS  15           HG       CYS  15  14.716   0.112   0.295
  114    H    CYS  16           H        CYS  16  10.915   3.237  -0.967
  115    HA   CYS  16           HA       CYS  16  12.578   3.976  -3.231
  116    HB2  CYS  16           HB2      CYS  16   9.662   3.188  -3.101
  117    HB3  CYS  16           HB3      CYS  16  10.554   3.494  -4.579
  118    H    SER  17           H        SER  17  10.528   5.467  -1.039
  119    HA   SER  17           HA       SER  17   9.308   7.349  -0.885
  120    HB2  SER  17           HB2      SER  17  10.364   9.409  -1.804
  121    HB3  SER  17           HB3      SER  17  11.458   8.410  -0.854
  122    HG   SER  17           HG       SER  17  11.626   7.617  -3.386
  123    H    VAL  18           H        VAL  18   8.197   5.646  -2.661
  124    HA   VAL  18           HA       VAL  18   6.897   7.498  -4.517
  125    HB   VAL  18           HB       VAL  18   6.805   5.827  -6.292
  126   HG11  VAL  18          HG11      VAL  18   8.652   7.427  -6.322
  127   HG12  VAL  18          HG12      VAL  18   9.125   5.878  -7.023
  128   HG13  VAL  18          HG13      VAL  18   9.641   6.299  -5.389
  129   HG21  VAL  18          HG21      VAL  18   6.891   3.815  -4.955
  130   HG22  VAL  18          HG22      VAL  18   8.555   4.166  -4.494
  131   HG23  VAL  18          HG23      VAL  18   8.167   3.787  -6.172
  132    H    GLU  19           H        GLU  19   4.852   6.597  -5.343
  133    HA   GLU  19           HA       GLU  19   3.371   5.416  -3.151
  134    HB2  GLU  19           HB2      GLU  19   2.713   7.365  -4.855
  135    HB3  GLU  19           HB3      GLU  19   2.096   6.008  -5.780
  136    HG2  GLU  19           HG2      GLU  19   0.840   5.352  -3.710
  137    HG3  GLU  19           HG3      GLU  19   1.307   6.899  -3.033
  138    H    ILE  20           H        ILE  20   2.662   3.353  -3.090
  139    HA   ILE  20           HA       ILE  20   3.103   1.648  -5.453
  140    HB   ILE  20           HB       ILE  20   4.031  -0.116  -3.966
  141   HG12  ILE  20          HG12      ILE  20   4.855   1.723  -1.871
  142   HG13  ILE  20          HG13      ILE  20   3.110   1.518  -1.932
  143   HG21  ILE  20          HG21      ILE  20   6.274   0.862  -3.725
  144   HG22  ILE  20          HG22      ILE  20   5.594   2.456  -4.052
  145   HG23  ILE  20          HG23      ILE  20   5.550   1.206  -5.296
  146   HD11  ILE  20          HD11      ILE  20   3.463  -0.932  -1.818
  147   HD12  ILE  20          HD12      ILE  20   4.022  -0.054  -0.395
  148   HD13  ILE  20          HD13      ILE  20   5.186  -0.626  -1.593
  149    H    VAL  21           H        VAL  21   2.138  -0.462  -5.248
  150    HA   VAL  21           HA       VAL  21  -0.084  -0.621  -3.323
  151    HB   VAL  21           HB       VAL  21  -1.035  -0.550  -5.517
  152   HG11  VAL  21          HG11      VAL  21   0.991  -1.036  -6.790
  153   HG12  VAL  21          HG12      VAL  21  -0.371  -2.015  -7.341
  154   HG13  VAL  21          HG13      VAL  21   0.878  -2.734  -6.323
  155   HG21  VAL  21          HG21      VAL  21  -0.906  -3.416  -4.590
  156   HG22  VAL  21          HG22      VAL  21  -2.094  -2.759  -5.715
  157   HG23  VAL  21          HG23      VAL  21  -2.048  -2.187  -4.047
  158    HA   PRO  22           HA       PRO  22   2.937  -3.482  -1.709
  159    HB2  PRO  22           HB2      PRO  22   0.846  -4.048   0.292
  160    HB3  PRO  22           HB3      PRO  22   2.482  -3.441   0.518
  161    HG2  PRO  22           HG2      PRO  22   0.366  -1.855   0.834
  162    HG3  PRO  22           HG3      PRO  22   1.870  -1.253   0.113
  163    HD2  PRO  22           HD2      PRO  22  -0.679  -2.070  -1.225
  164    HD3  PRO  22           HD3      PRO  22   0.374  -0.679  -1.557
  165    H    ARG  23           H        ARG  23   3.306  -5.649  -1.608
  166    HA   ARG  23           HA       ARG  23   1.391  -7.462  -2.743
  167    HB2  ARG  23           HB2      ARG  23   4.054  -7.930  -1.373
  168    HB3  ARG  23           HB3      ARG  23   3.111  -9.188  -2.159
  169    HG2  ARG  23           HG2      ARG  23   3.328  -8.058  -4.290
  170    HG3  ARG  23           HG3      ARG  23   4.199  -6.734  -3.521
  171    HD2  ARG  23           HD2      ARG  23   5.962  -8.335  -2.867
  172    HD3  ARG  23           HD3      ARG  23   5.102  -9.600  -3.743
  173    HE   ARG  23           HE       ARG  23   5.437  -7.584  -5.568
  174   HH11  ARG  23          HH11      ARG  23   7.555  -9.566  -3.608
  175   HH12  ARG  23          HH12      ARG  23   8.894  -9.439  -4.702
  176   HH21  ARG  23          HH21      ARG  23   7.205  -7.416  -7.010
  177   HH22  ARG  23          HH22      ARG  23   8.703  -8.202  -6.626
  178    H    LEU  24           H        LEU  24  -0.366  -7.892  -1.563
  179    HA   LEU  24           HA       LEU  24  -0.668  -6.968   0.998
  180    HB2  LEU  24           HB2      LEU  24  -2.260  -8.220  -0.988
  181    HB3  LEU  24           HB3      LEU  24  -2.658  -8.881   0.578
  182    HG   LEU  24           HG       LEU  24  -4.031  -6.907  -0.112
  183   HD11  LEU  24          HD11      LEU  24  -3.875  -7.564   2.214
  184   HD12  LEU  24          HD12      LEU  24  -3.919  -5.806   2.072
  185   HD13  LEU  24          HD13      LEU  24  -2.392  -6.628   2.395
  186   HD21  LEU  24          HD21      LEU  24  -1.501  -5.359   0.428
  187   HD22  LEU  24          HD22      LEU  24  -3.078  -4.706  -0.021
  188   HD23  LEU  24          HD23      LEU  24  -2.164  -5.671  -1.178
  189    HA   PRO  25           HA       PRO  25  -0.624 -11.614   2.664
  190    HB2  PRO  25           HB2      PRO  25   1.569 -12.526   0.860
  191    HB3  PRO  25           HB3      PRO  25   0.239 -13.454   1.561
  192    HG2  PRO  25           HG2      PRO  25   0.140 -12.755  -0.977
  193    HG3  PRO  25           HG3      PRO  25  -1.310 -12.589   0.035
  194    HD2  PRO  25           HD2      PRO  25   0.615 -10.482  -0.872
  195    HD3  PRO  25           HD3      PRO  25  -1.151 -10.426  -0.770
  196    H    ASP  26           H        ASP  26   2.142  -9.819   1.453
  197    HA   ASP  26           HA       ASP  26   3.621 -10.449   3.923
  198    HB2  ASP  26           HB2      ASP  26   4.603  -9.535   1.218
  199    HB3  ASP  26           HB3      ASP  26   5.636  -9.645   2.637
  200    H    TYR  27           H        TYR  27   1.957  -8.046   2.276
  201    HA   TYR  27           HA       TYR  27   1.737  -5.808   2.379
  202    HB2  TYR  27           HB2      TYR  27   2.045  -6.726   5.121
  203    HB3  TYR  27           HB3      TYR  27   2.531  -5.046   4.919
  204    HD1  TYR  27           HD2      TYR  27   0.610  -4.211   2.780
  205    HD2  TYR  27           HD1      TYR  27   0.029  -6.546   6.291
  206    HE1  TYR  27           HE2      TYR  27  -1.738  -3.501   2.856
  207    HE2  TYR  27           HE1      TYR  27  -2.326  -5.842   6.371
  208    HH   TYR  27           HH       TYR  27  -3.679  -3.849   5.529
  209    H    ILE  28           H        ILE  28   4.193  -6.651   1.298
  210    HA   ILE  28           HA       ILE  28   6.041  -4.612   2.321
  211    HB   ILE  28           HB       ILE  28   7.780  -5.788   0.950
  212   HG12  ILE  28          HG12      ILE  28   5.694  -7.974   0.810
  213   HG13  ILE  28          HG13      ILE  28   6.196  -6.983  -0.549
  214   HG21  ILE  28          HG21      ILE  28   8.096  -7.607   2.569
  215   HG22  ILE  28          HG22      ILE  28   6.453  -7.348   3.159
  216   HG23  ILE  28          HG23      ILE  28   7.667  -6.081   3.341
  217   HD11  ILE  28          HD11      ILE  28   8.470  -7.877  -0.339
  218   HD12  ILE  28          HD12      ILE  28   7.273  -9.140  -0.624
  219   HD13  ILE  28          HD13      ILE  28   7.926  -8.896   0.995
  220    H    CYS  29           H        CYS  29   7.640  -4.150   0.324
  221    HA   CYS  29           HA       CYS  29   6.036  -2.543  -1.481
  222    HB2  CYS  29           HB2      CYS  29   8.019  -1.646  -0.274
  223    HB3  CYS  29           HB3      CYS  29   9.030  -2.800  -1.113
  224    HA   PRO  30           HA       PRO  30   6.658  -5.531  -4.732
  225    HB2  PRO  30           HB2      PRO  30   5.665  -4.141  -6.798
  226    HB3  PRO  30           HB3      PRO  30   4.613  -4.714  -5.498
  227    HG2  PRO  30           HG2      PRO  30   5.718  -1.984  -5.978
  228    HG3  PRO  30           HG3      PRO  30   4.108  -2.452  -5.409
  229    HD2  PRO  30           HD2      PRO  30   6.190  -1.594  -3.795
  230    HD3  PRO  30           HD3      PRO  30   4.794  -2.546  -3.233
  231    H    ARG  31           H        ARG  31   8.215  -2.603  -4.340
  232    HA   ARG  31           HA       ARG  31   9.833  -2.869  -6.748
  233    HB2  ARG  31           HB2      ARG  31   9.913  -0.542  -4.866
  234    HB3  ARG  31           HB3      ARG  31  10.281  -0.586  -6.579
  235    HG2  ARG  31           HG2      ARG  31   7.753  -1.212  -6.783
  236    HG3  ARG  31           HG3      ARG  31   7.653  -0.465  -5.204
  237    HD2  ARG  31           HD2      ARG  31   8.478   1.582  -6.026
  238    HD3  ARG  31           HD3      ARG  31   8.898   0.880  -7.582
  239    HE   ARG  31           HE       ARG  31   6.115   0.624  -7.038
  240   HH11  ARG  31          HH11      ARG  31   8.545   2.913  -8.076
  241   HH12  ARG  31          HH12      ARG  31   7.434   3.866  -9.006
  242   HH21  ARG  31          HH21      ARG  31   4.642   1.893  -8.243
  243   HH22  ARG  31          HH22      ARG  31   5.211   3.299  -9.086
  244    H    CYS  32           H        CYS  32  10.153  -2.605  -3.188
  245    HA   CYS  32           HA       CYS  32  12.924  -3.513  -3.576
  246    HB2  CYS  32           HB2      CYS  32  13.724  -2.112  -1.781
  247    HB3  CYS  32           HB3      CYS  32  12.906  -1.121  -2.983
  248    H    GLU  33           H        GLU  33   9.985  -4.159  -2.126
  249    HA   GLU  33           HA       GLU  33   9.240  -5.749  -0.685
  250    HB2  GLU  33           HB2      GLU  33  11.926  -6.970  -1.315
  251    HB3  GLU  33           HB3      GLU  33  10.604  -7.806  -0.520
  252    HG2  GLU  33           HG2      GLU  33   9.220  -7.542  -2.496
  253    HG3  GLU  33           HG3      GLU  33  10.515  -6.652  -3.294
  254    H    SER  34           H        SER  34  10.222  -3.557   0.589
  255    HA   SER  34           HA       SER  34  12.045  -4.453   2.673
  256    HB2  SER  34           HB2      SER  34  12.652  -2.363   1.685
  257    HB3  SER  34           HB3      SER  34  11.017  -1.732   1.862
  258    HG   SER  34           HG       SER  34  12.862  -2.333   3.945
  259    H    GLY  35           H        GLY  35   8.958  -2.673   2.509
  260    HA2  GLY  35           HA2      GLY  35   7.110  -3.579   3.880
  261    HA3  GLY  35           HA3      GLY  35   8.311  -3.788   5.143
  262    H    PHE  36           H        PHE  36   9.622  -1.255   4.424
  263    HA   PHE  36           HA       PHE  36   8.193   0.528   6.087
  264    HB2  PHE  36           HB2      PHE  36  10.594   0.778   4.308
  265    HB3  PHE  36           HB3      PHE  36   9.890   2.209   5.051
  266    HD1  PHE  36           HD2      PHE  36  11.472  -1.051   5.762
  267    HD2  PHE  36           HD1      PHE  36  10.218   2.706   7.297
  268    HE1  PHE  36           HE2      PHE  36  12.707  -1.501   7.843
  269    HE2  PHE  36           HE1      PHE  36  11.446   2.269   9.388
  270    HZ   PHE  36           HZ       PHE  36  12.692   0.162   9.663
  271    H    ILE  37           H        ILE  37   6.115   0.668   5.162
  272    HA   ILE  37           HA       ILE  37   5.957   2.563   2.936
  273    HB   ILE  37           HB       ILE  37   3.993   1.353   2.037
  274   HG12  ILE  37          HG12      ILE  37   4.780  -0.695   4.109
  275   HG13  ILE  37          HG13      ILE  37   3.226   0.078   3.898
  276   HG21  ILE  37          HG21      ILE  37   6.069   1.082   0.918
  277   HG22  ILE  37          HG22      ILE  37   5.309  -0.510   1.007
  278   HG23  ILE  37          HG23      ILE  37   6.625  -0.098   2.106
  279   HD11  ILE  37          HD11      ILE  37   2.870  -1.132   1.832
  280   HD12  ILE  37          HD12      ILE  37   3.202  -2.246   3.158
  281   HD13  ILE  37          HD13      ILE  37   4.460  -1.879   1.976
  282    H    GLU  38           H        GLU  38   4.068   3.844   2.917
  283    HA   GLU  38           HA       GLU  38   2.716   3.947   5.524
  284    HB2  GLU  38           HB2      GLU  38   3.505   6.118   3.614
  285    HB3  GLU  38           HB3      GLU  38   2.262   6.377   4.830
  286    HG2  GLU  38           HG2      GLU  38   4.017   5.574   6.509
  287    HG3  GLU  38           HG3      GLU  38   5.178   5.838   5.208
  288    H    GLU  39           H        GLU  39   0.624   3.626   5.586
  289    HA   GLU  39           HA       GLU  39  -0.892   3.247   3.173
  290    HB2  GLU  39           HB2      GLU  39  -1.098   1.925   5.354
  291    HB3  GLU  39           HB3      GLU  39  -1.938   3.317   6.005
  292    HG2  GLU  39           HG2      GLU  39  -2.867   1.996   3.488
  293    HG3  GLU  39           HG3      GLU  39  -3.297   1.346   5.068
  294    H    LEU  40           H        LEU  40  -1.713   4.881   2.092
  295    HA   LEU  40           HA       LEU  40  -1.655   7.521   3.253
  296    HB2  LEU  40           HB2      LEU  40  -2.374   6.603   0.479
  297    HB3  LEU  40           HB3      LEU  40  -2.183   8.273   0.967
  298    HG   LEU  40           HG       LEU  40   0.018   6.203   1.004
  299   HD11  LEU  40          HD11      LEU  40  -0.479   8.466  -0.910
  300   HD12  LEU  40          HD12      LEU  40  -0.673   6.748  -1.262
  301   HD13  LEU  40          HD13      LEU  40   0.924   7.399  -0.898
  302   HD21  LEU  40          HD21      LEU  40   0.350   7.904   2.687
  303   HD22  LEU  40          HD22      LEU  40   0.046   9.173   1.501
  304   HD23  LEU  40          HD23      LEU  40   1.476   8.152   1.354
  Start of MODEL   13
    1    H1   GLY  -1           H1       GLY  -1  -9.718  -6.842 -11.947
    2    H2   GLY  -1           H2       GLY  -1  -9.129  -7.132 -10.392
    3    H3   GLY  -1           H3       GLY  -1  -8.596  -5.784 -11.255
    4    HA2  GLY  -1           HA3      GLY  -1 -10.810  -4.830 -11.201
    5    HA3  GLY  -1           HA2      GLY  -1 -11.366  -6.237 -10.305
    6    H    SER   0           H        SER   0 -12.021  -4.846  -8.585
    7    HA   SER   0           HA       SER   0  -9.864  -3.519  -7.127
    8    HB2  SER   0           HB2      SER   0 -11.840  -2.682  -5.717
    9    HB3  SER   0           HB3      SER   0 -11.733  -2.091  -7.376
   10    HG   SER   0           HG       SER   0 -13.623  -2.930  -7.689
   11    H    MET   1           H        MET   1 -11.880  -6.293  -7.058
   12    HA   MET   1           HA       MET   1 -11.873  -8.172  -5.795
   13    HB2  MET   1           HB2      MET   1  -9.421  -7.945  -5.730
   14    HB3  MET   1           HB3      MET   1  -9.557  -6.907  -4.319
   15    HG2  MET   1           HG2      MET   1 -10.547  -8.766  -3.063
   16    HG3  MET   1           HG3      MET   1 -10.361  -9.803  -4.477
   17    HE1  MET   1           HE1      MET   1  -7.618 -11.228  -2.101
   18    HE2  MET   1           HE2      MET   1  -9.037 -11.589  -3.082
   19    HE3  MET   1           HE3      MET   1  -9.199 -10.610  -1.625
   20    H    ALA   2           H        ALA   2 -11.009  -5.607  -3.487
   21    HA   ALA   2           HA       ALA   2 -13.203  -6.504  -1.760
   22    HB1  ALA   2           HB1      ALA   2 -10.983  -6.421  -0.731
   23    HB2  ALA   2           HB2      ALA   2 -12.076  -5.257   0.018
   24    HB3  ALA   2           HB3      ALA   2 -10.858  -4.708  -1.133
   25    H    GLU   3           H        GLU   3 -13.978  -5.235  -3.972
   26    HA   GLU   3           HA       GLU   3 -14.189  -2.531  -4.177
   27    HB2  GLU   3           HB2      GLU   3 -15.092  -4.177  -5.776
   28    HB3  GLU   3           HB3      GLU   3 -16.390  -4.543  -4.652
   29    HG2  GLU   3           HG2      GLU   3 -17.225  -2.275  -4.859
   30    HG3  GLU   3           HG3      GLU   3 -15.920  -1.891  -5.984
   31    H    ALA   4           H        ALA   4 -16.453  -4.599  -2.357
   32    HA   ALA   4           HA       ALA   4 -17.726  -2.215  -1.256
   33    HB1  ALA   4           HB1      ALA   4 -19.125  -3.994  -2.202
   34    HB2  ALA   4           HB2      ALA   4 -19.467  -3.721  -0.494
   35    HB3  ALA   4           HB3      ALA   4 -18.507  -5.114  -0.990
   36    H    SER   5           H        SER   5 -15.048  -2.937  -0.344
   37    HA   SER   5           HA       SER   5 -15.618  -2.879   2.499
   38    HB2  SER   5           HB2      SER   5 -13.807  -5.000   1.314
   39    HB3  SER   5           HB3      SER   5 -14.038  -4.694   3.035
   40    HG   SER   5           HG       SER   5 -16.436  -4.996   1.932
   41    HA   PRO   6           HA       PRO   6 -12.358   0.209   2.143
   42    HB2  PRO   6           HB2      PRO   6 -12.262  -0.352   5.072
   43    HB3  PRO   6           HB3      PRO   6 -12.353   1.199   4.228
   44    HG2  PRO   6           HG2      PRO   6 -14.498   0.185   5.433
   45    HG3  PRO   6           HG3      PRO   6 -14.638   1.027   3.878
   46    HD2  PRO   6           HD2      PRO   6 -14.741  -1.895   4.469
   47    HD3  PRO   6           HD3      PRO   6 -15.630  -0.954   3.254
   48    H    HIS   7           H        HIS   7 -10.303  -0.240   1.602
   49    HA   HIS   7           HA       HIS   7  -8.868  -2.348   3.009
   50    HB2  HIS   7           HB2      HIS   7  -8.273  -3.479   0.886
   51    HB3  HIS   7           HB3      HIS   7  -9.987  -3.563   1.235
   52    HD1  HIS   7           HD1      HIS   7 -11.591  -2.435  -0.399
   53    HD2  HIS   7           HD2      HIS   7  -7.582  -1.827  -1.325
   54    HE1  HIS   7           HE1      HIS   7 -11.567  -1.457  -2.713
   55    HE2  HIS   7           HE2      HIS   7  -9.158  -0.878  -3.138
   56    HA   PRO   8           HA       PRO   8  -5.463   0.405   2.140
   57    HB2  PRO   8           HB2      PRO   8  -3.640  -1.770   2.742
   58    HB3  PRO   8           HB3      PRO   8  -3.974  -0.319   3.687
   59    HG2  PRO   8           HG2      PRO   8  -4.696  -2.824   4.470
   60    HG3  PRO   8           HG3      PRO   8  -5.572  -1.360   4.951
   61    HD2  PRO   8           HD2      PRO   8  -6.242  -3.366   2.835
   62    HD3  PRO   8           HD3      PRO   8  -7.311  -2.518   3.972
   63    H    GLY   9           H        GLY   9  -4.483   0.869   0.260
   64    HA2  GLY   9           HA2      GLY   9  -3.389  -1.280  -1.371
   65    HA3  GLY   9           HA3      GLY   9  -4.685  -0.341  -2.096
   66    H    ARG  10           H        ARG  10  -4.196   2.159  -1.335
   67    HA   ARG  10           HA       ARG  10  -1.848   2.867  -2.823
   68    HB2  ARG  10           HB2      ARG  10  -2.548   5.214  -2.216
   69    HB3  ARG  10           HB3      ARG  10  -3.743   4.278  -3.104
   70    HG2  ARG  10           HG2      ARG  10  -5.115   4.032  -1.263
   71    HG3  ARG  10           HG3      ARG  10  -3.816   4.367  -0.120
   72    HD2  ARG  10           HD2      ARG  10  -4.635   6.434  -0.022
   73    HD3  ARG  10           HD3      ARG  10  -3.956   6.661  -1.630
   74    HE   ARG  10           HE       ARG  10  -6.198   5.883  -2.463
   75   HH11  ARG  10          HH11      ARG  10  -5.833   7.410   0.670
   76   HH12  ARG  10          HH12      ARG  10  -7.439   8.079   0.665
   77   HH21  ARG  10          HH21      ARG  10  -8.309   6.739  -2.459
   78   HH22  ARG  10          HH22      ARG  10  -8.849   7.693  -1.113
   79    H    TYR  11           H        TYR  11   0.056   2.546  -1.877
   80    HA   TYR  11           HA       TYR  11   0.424   3.616   0.843
   81    HB2  TYR  11           HB2      TYR  11   1.465   1.116  -0.419
   82    HB3  TYR  11           HB3      TYR  11   2.449   1.940   0.782
   83    HD1  TYR  11           HD1      TYR  11  -1.035   0.658   0.320
   84    HD2  TYR  11           HD2      TYR  11   2.186   1.408   2.993
   85    HE1  TYR  11           HE1      TYR  11  -2.274  -0.457   2.128
   86    HE2  TYR  11           HE2      TYR  11   0.971   0.294   4.799
   87    HH   TYR  11           HH       TYR  11  -1.400  -0.241   5.383
   88    H    PHE  12           H        PHE  12   2.648   4.290   1.298
   89    HA   PHE  12           HA       PHE  12   4.093   5.161  -1.107
   90    HB2  PHE  12           HB2      PHE  12   2.783   6.971   0.145
   91    HB3  PHE  12           HB3      PHE  12   3.974   6.783   1.428
   92    HD1  PHE  12           HD1      PHE  12   3.409   7.790  -2.027
   93    HD2  PHE  12           HD2      PHE  12   6.195   7.626   1.177
   94    HE1  PHE  12           HE1      PHE  12   4.897   9.323  -3.254
   95    HE2  PHE  12           HE2      PHE  12   7.702   9.159  -0.044
   96    HZ   PHE  12           HZ       PHE  12   7.044  10.013  -2.260
   97    H    CYS  13           H        CYS  13   5.954   4.116  -1.148
   98    HA   CYS  13           HA       CYS  13   7.041   2.898   1.217
   99    HB2  CYS  13           HB2      CYS  13   7.209   1.685  -0.854
  100    HB3  CYS  13           HB3      CYS  13   8.017   3.036  -1.636
  101    H    HIS  14           H        HIS  14   8.694   3.556   2.446
  102    HA   HIS  14           HA       HIS  14   9.736   6.230   2.060
  103    HB2  HIS  14           HB2      HIS  14   9.802   4.199   4.241
  104    HB3  HIS  14           HB3      HIS  14  11.099   5.392   4.199
  105    HD1  HIS  14           HD1      HIS  14  10.550   7.127   5.874
  106    HD2  HIS  14           HD2      HIS  14   7.197   5.917   3.730
  107    HE1  HIS  14           HE1      HIS  14   8.673   8.609   6.653
  108    HE2  HIS  14           HE2      HIS  14   6.657   7.889   5.320
  109    H    CYS  15           H        CYS  15  10.721   2.985   1.526
  110    HA   CYS  15           HA       CYS  15  13.531   3.470   1.348
  111    HB2  CYS  15           HB2      CYS  15  11.932   1.188   0.170
  112    HB3  CYS  15           HB3      CYS  15  13.642   1.175   0.574
  113    HG   CYS  15           HG       CYS  15  13.074  -0.109   2.734
  114    H    CYS  16           H        CYS  16  10.848   3.292  -0.935
  115    HA   CYS  16           HA       CYS  16  12.642   3.896  -3.171
  116    HB2  CYS  16           HB2      CYS  16   9.699   3.202  -3.152
  117    HB3  CYS  16           HB3      CYS  16  10.664   3.475  -4.590
  118    H    SER  17           H        SER  17  10.564   5.392  -1.008
  119    HA   SER  17           HA       SER  17   9.346   7.275  -0.860
  120    HB2  SER  17           HB2      SER  17  10.463   9.350  -1.711
  121    HB3  SER  17           HB3      SER  17  11.471   8.336  -0.685
  122    HG   SER  17           HG       SER  17  11.688   7.721  -3.349
  123    H    VAL  18           H        VAL  18   8.227   5.660  -2.643
  124    HA   VAL  18           HA       VAL  18   7.004   7.536  -4.524
  125    HB   VAL  18           HB       VAL  18   6.910   5.865  -6.304
  126   HG11  VAL  18          HG11      VAL  18   9.257   5.882  -6.990
  127   HG12  VAL  18          HG12      VAL  18   9.727   6.360  -5.359
  128   HG13  VAL  18          HG13      VAL  18   8.752   7.447  -6.351
  129   HG21  VAL  18          HG21      VAL  18   8.246   3.816  -6.175
  130   HG22  VAL  18          HG22      VAL  18   6.979   3.858  -4.950
  131   HG23  VAL  18          HG23      VAL  18   8.649   4.197  -4.503
  132    H    GLU  19           H        GLU  19   4.955   6.658  -5.390
  133    HA   GLU  19           HA       GLU  19   3.414   5.510  -3.223
  134    HB2  GLU  19           HB2      GLU  19   2.838   7.410  -5.043
  135    HB3  GLU  19           HB3      GLU  19   2.179   6.014  -5.878
  136    HG2  GLU  19           HG2      GLU  19   0.938   5.535  -3.724
  137    HG3  GLU  19           HG3      GLU  19   1.396   7.157  -3.229
  138    H    ILE  20           H        ILE  20   2.758   3.442  -3.106
  139    HA   ILE  20           HA       ILE  20   3.150   1.689  -5.446
  140    HB   ILE  20           HB       ILE  20   4.073  -0.058  -3.944
  141   HG12  ILE  20          HG12      ILE  20   4.906   1.802  -1.865
  142   HG13  ILE  20          HG13      ILE  20   3.164   1.592  -1.924
  143   HG21  ILE  20          HG21      ILE  20   6.324   0.909  -3.704
  144   HG22  ILE  20          HG22      ILE  20   5.654   2.498  -4.072
  145   HG23  ILE  20          HG23      ILE  20   5.606   1.217  -5.284
  146   HD11  ILE  20          HD11      ILE  20   3.503  -0.847  -1.776
  147   HD12  ILE  20          HD12      ILE  20   4.103   0.037  -0.374
  148   HD13  ILE  20          HD13      ILE  20   5.234  -0.560  -1.590
  149    H    VAL  21           H        VAL  21   2.142  -0.395  -5.200
  150    HA   VAL  21           HA       VAL  21  -0.006  -0.509  -3.196
  151    HB   VAL  21           HB       VAL  21  -1.060  -0.487  -5.332
  152   HG11  VAL  21          HG11      VAL  21  -0.441  -1.946  -7.179
  153   HG12  VAL  21          HG12      VAL  21   0.864  -2.632  -6.212
  154   HG13  VAL  21          HG13      VAL  21   0.922  -0.934  -6.690
  155   HG21  VAL  21          HG21      VAL  21  -1.955  -2.158  -3.805
  156   HG22  VAL  21          HG22      VAL  21  -0.829  -3.359  -4.437
  157   HG23  VAL  21          HG23      VAL  21  -2.095  -2.705  -5.477
  158    HA   PRO  22           HA       PRO  22   2.988  -3.382  -1.580
  159    HB2  PRO  22           HB2      PRO  22   0.872  -4.012   0.375
  160    HB3  PRO  22           HB3      PRO  22   2.492  -3.385   0.641
  161    HG2  PRO  22           HG2      PRO  22   0.349  -1.841   0.951
  162    HG3  PRO  22           HG3      PRO  22   1.857  -1.202   0.271
  163    HD2  PRO  22           HD2      PRO  22  -0.652  -2.022  -1.134
  164    HD3  PRO  22           HD3      PRO  22   0.391  -0.612  -1.417
  165    H    ARG  23           H        ARG  23   3.379  -5.553  -1.592
  166    HA   ARG  23           HA       ARG  23   1.475  -7.314  -2.801
  167    HB2  ARG  23           HB2      ARG  23   4.100  -7.837  -1.386
  168    HB3  ARG  23           HB3      ARG  23   3.144  -9.092  -2.154
  169    HG2  ARG  23           HG2      ARG  23   3.397  -7.934  -4.313
  170    HG3  ARG  23           HG3      ARG  23   4.406  -6.722  -3.522
  171    HD2  ARG  23           HD2      ARG  23   6.015  -8.440  -2.920
  172    HD3  ARG  23           HD3      ARG  23   4.998  -9.675  -3.655
  173    HE   ARG  23           HE       ARG  23   5.579  -7.709  -5.579
  174   HH11  ARG  23          HH11      ARG  23   7.159 -10.263  -3.786
  175   HH12  ARG  23          HH12      ARG  23   8.348 -10.563  -5.011
  176   HH21  ARG  23          HH21      ARG  23   7.153  -8.102  -7.199
  177   HH22  ARG  23          HH22      ARG  23   8.353  -9.329  -6.950
  178    H    LEU  24           H        LEU  24  -0.321  -7.681  -1.683
  179    HA   LEU  24           HA       LEU  24  -0.675  -6.965   0.940
  180    HB2  LEU  24           HB2      LEU  24  -2.242  -7.932  -1.184
  181    HB3  LEU  24           HB3      LEU  24  -2.666  -8.847   0.244
  182    HG   LEU  24           HG       LEU  24  -4.045  -6.792  -0.155
  183   HD11  LEU  24          HD11      LEU  24  -4.037  -6.090   2.185
  184   HD12  LEU  24          HD12      LEU  24  -2.490  -6.905   2.419
  185   HD13  LEU  24          HD13      LEU  24  -3.932  -7.844   2.037
  186   HD21  LEU  24          HD21      LEU  24  -3.130  -4.631   0.308
  187   HD22  LEU  24          HD22      LEU  24  -2.133  -5.394  -0.932
  188   HD23  LEU  24          HD23      LEU  24  -1.568  -5.329   0.738
  189    HA   PRO  25           HA       PRO  25  -0.612 -11.785   2.153
  190    HB2  PRO  25           HB2      PRO  25   1.725 -12.345   0.382
  191    HB3  PRO  25           HB3      PRO  25   0.454 -13.442   0.934
  192    HG2  PRO  25           HG2      PRO  25   0.374 -12.505  -1.521
  193    HG3  PRO  25           HG3      PRO  25  -1.115 -12.543  -0.554
  194    HD2  PRO  25           HD2      PRO  25   0.668 -10.225  -1.195
  195    HD3  PRO  25           HD3      PRO  25  -1.100 -10.300  -1.129
  196    H    ASP  26           H        ASP  26   2.092  -9.673   1.356
  197    HA   ASP  26           HA       ASP  26   3.368 -10.452   3.900
  198    HB2  ASP  26           HB2      ASP  26   4.596  -9.686   1.266
  199    HB3  ASP  26           HB3      ASP  26   5.509  -9.597   2.768
  200    H    TYR  27           H        TYR  27   1.926  -7.960   2.177
  201    HA   TYR  27           HA       TYR  27   1.671  -5.733   2.433
  202    HB2  TYR  27           HB2      TYR  27   2.204  -6.679   5.190
  203    HB3  TYR  27           HB3      TYR  27   2.333  -4.946   4.912
  204    HD1  TYR  27           HD1      TYR  27   0.258  -4.111   3.284
  205    HD2  TYR  27           HD2      TYR  27   0.180  -7.330   6.067
  206    HE1  TYR  27           HE1      TYR  27  -2.175  -3.861   3.492
  207    HE2  TYR  27           HE2      TYR  27  -2.258  -7.095   6.275
  208    HH   TYR  27           HH       TYR  27  -3.964  -5.305   5.959
  209    H    ILE  28           H        ILE  28   4.160  -6.601   1.356
  210    HA   ILE  28           HA       ILE  28   5.994  -4.564   2.415
  211    HB   ILE  28           HB       ILE  28   7.740  -5.750   1.017
  212   HG12  ILE  28          HG12      ILE  28   5.639  -7.931   0.984
  213   HG13  ILE  28          HG13      ILE  28   6.145  -6.996  -0.416
  214   HG21  ILE  28          HG21      ILE  28   6.475  -7.278   3.288
  215   HG22  ILE  28          HG22      ILE  28   7.641  -5.963   3.434
  216   HG23  ILE  28          HG23      ILE  28   8.122  -7.488   2.691
  217   HD11  ILE  28          HD11      ILE  28   7.890  -8.842   1.194
  218   HD12  ILE  28          HD12      ILE  28   8.393  -7.916  -0.220
  219   HD13  ILE  28          HD13      ILE  28   7.183  -9.188  -0.384
  220    H    CYS  29           H        CYS  29   7.620  -4.117   0.392
  221    HA   CYS  29           HA       CYS  29   5.999  -2.504  -1.397
  222    HB2  CYS  29           HB2      CYS  29   8.034  -1.642  -0.221
  223    HB3  CYS  29           HB3      CYS  29   8.998  -2.792  -1.122
  224    HA   PRO  30           HA       PRO  30   6.638  -5.476  -4.671
  225    HB2  PRO  30           HB2      PRO  30   5.580  -4.124  -6.719
  226    HB3  PRO  30           HB3      PRO  30   4.560  -4.685  -5.387
  227    HG2  PRO  30           HG2      PRO  30   5.634  -1.953  -5.935
  228    HG3  PRO  30           HG3      PRO  30   4.045  -2.422  -5.312
  229    HD2  PRO  30           HD2      PRO  30   6.188  -1.538  -3.784
  230    HD3  PRO  30           HD3      PRO  30   4.787  -2.442  -3.161
  231    H    ARG  31           H        ARG  31   8.172  -2.526  -4.287
  232    HA   ARG  31           HA       ARG  31   9.777  -2.807  -6.704
  233    HB2  ARG  31           HB2      ARG  31   9.825  -0.473  -4.824
  234    HB3  ARG  31           HB3      ARG  31  10.261  -0.521  -6.520
  235    HG2  ARG  31           HG2      ARG  31   7.730  -1.158  -6.800
  236    HG3  ARG  31           HG3      ARG  31   7.588  -0.370  -5.245
  237    HD2  ARG  31           HD2      ARG  31   8.493   1.643  -6.103
  238    HD3  ARG  31           HD3      ARG  31   8.874   0.898  -7.648
  239    HE   ARG  31           HE       ARG  31   6.098   0.697  -7.082
  240   HH11  ARG  31          HH11      ARG  31   8.535   2.970  -8.161
  241   HH12  ARG  31          HH12      ARG  31   7.403   3.965  -9.022
  242   HH21  ARG  31          HH21      ARG  31   4.612   2.012  -8.204
  243   HH22  ARG  31          HH22      ARG  31   5.172   3.426  -9.039
  244    H    CYS  32           H        CYS  32  10.055  -2.675  -3.164
  245    HA   CYS  32           HA       CYS  32  12.826  -3.569  -3.520
  246    HB2  CYS  32           HB2      CYS  32  13.624  -2.184  -1.714
  247    HB3  CYS  32           HB3      CYS  32  12.845  -1.182  -2.928
  248    H    GLU  33           H        GLU  33   9.869  -4.216  -2.137
  249    HA   GLU  33           HA       GLU  33   9.098  -5.800  -0.701
  250    HB2  GLU  33           HB2      GLU  33  11.806  -7.017  -1.257
  251    HB3  GLU  33           HB3      GLU  33  10.426  -7.866  -0.578
  252    HG2  GLU  33           HG2      GLU  33   9.204  -7.692  -2.586
  253    HG3  GLU  33           HG3      GLU  33  10.333  -6.517  -3.254
  254    H    SER  34           H        SER  34  10.259  -3.560   0.543
  255    HA   SER  34           HA       SER  34  11.888  -4.594   2.717
  256    HB2  SER  34           HB2      SER  34  12.853  -2.647   1.857
  257    HB3  SER  34           HB3      SER  34  11.306  -1.813   1.706
  258    HG   SER  34           HG       SER  34  12.875  -2.296   4.000
  259    H    GLY  35           H        GLY  35   9.017  -2.473   2.449
  260    HA2  GLY  35           HA2      GLY  35   7.023  -3.258   3.681
  261    HA3  GLY  35           HA3      GLY  35   8.126  -3.637   4.989
  262    H    PHE  36           H        PHE  36   9.623  -1.092   4.263
  263    HA   PHE  36           HA       PHE  36   8.283   0.694   6.013
  264    HB2  PHE  36           HB2      PHE  36  10.644   0.931   4.186
  265    HB3  PHE  36           HB3      PHE  36   9.968   2.369   4.939
  266    HD1  PHE  36           HD1      PHE  36  11.592  -0.868   5.593
  267    HD2  PHE  36           HD2      PHE  36  10.265   2.831   7.212
  268    HE1  PHE  36           HE1      PHE  36  12.843  -1.335   7.660
  269    HE2  PHE  36           HE2      PHE  36  11.517   2.378   9.285
  270    HZ   PHE  36           HZ       PHE  36  12.806   0.290   9.508
  271    H    ILE  37           H        ILE  37   6.192   0.829   5.137
  272    HA   ILE  37           HA       ILE  37   5.955   2.713   2.913
  273    HB   ILE  37           HB       ILE  37   4.028   1.440   2.030
  274   HG12  ILE  37          HG12      ILE  37   4.882  -0.580   4.102
  275   HG13  ILE  37          HG13      ILE  37   3.310   0.159   3.911
  276   HG21  ILE  37          HG21      ILE  37   5.412  -0.419   1.037
  277   HG22  ILE  37          HG22      ILE  37   6.717   0.105   2.103
  278   HG23  ILE  37          HG23      ILE  37   6.076   1.208   0.886
  279   HD11  ILE  37          HD11      ILE  37   3.338  -2.173   3.180
  280   HD12  ILE  37          HD12      ILE  37   4.553  -1.771   1.967
  281   HD13  ILE  37          HD13      ILE  37   2.938  -1.071   1.865
  282    H    GLU  38           H        GLU  38   4.087   3.985   2.945
  283    HA   GLU  38           HA       GLU  38   2.723   4.004   5.549
  284    HB2  GLU  38           HB2      GLU  38   3.495   6.255   3.714
  285    HB3  GLU  38           HB3      GLU  38   2.328   6.460   5.018
  286    HG2  GLU  38           HG2      GLU  38   4.171   5.515   6.532
  287    HG3  GLU  38           HG3      GLU  38   5.254   5.856   5.183
  288    H    GLU  39           H        GLU  39   0.618   3.756   5.599
  289    HA   GLU  39           HA       GLU  39  -0.852   3.295   3.172
  290    HB2  GLU  39           HB2      GLU  39  -1.056   2.042   5.405
  291    HB3  GLU  39           HB3      GLU  39  -1.956   3.429   5.980
  292    HG2  GLU  39           HG2      GLU  39  -2.796   2.002   3.498
  293    HG3  GLU  39           HG3      GLU  39  -3.204   1.357   5.082
  294    H    LEU  40           H        LEU  40  -1.640   4.919   2.028
  295    HA   LEU  40           HA       LEU  40  -1.632   7.579   3.118
  296    HB2  LEU  40           HB2      LEU  40  -2.381   6.571   0.386
  297    HB3  LEU  40           HB3      LEU  40  -2.233   8.261   0.819
  298    HG   LEU  40           HG       LEU  40   0.017   6.249   0.847
  299   HD11  LEU  40          HD11      LEU  40  -0.621   8.473  -1.071
  300   HD12  LEU  40          HD12      LEU  40  -0.671   6.740  -1.403
  301   HD13  LEU  40          HD13      LEU  40   0.868   7.528  -1.058
  302   HD21  LEU  40          HD21      LEU  40   0.002   9.221   1.351
  303   HD22  LEU  40          HD22      LEU  40   1.447   8.226   1.183
  304   HD23  LEU  40          HD23      LEU  40   0.346   7.958   2.534
  Start of MODEL   14
    1    H1   GLY  -1           H1       GLY  -1 -24.421  -0.661   9.297
    2    H2   GLY  -1           H2       GLY  -1 -24.752  -2.175   8.621
    3    H3   GLY  -1           H3       GLY  -1 -24.854  -0.785   7.668
    4    HA2  GLY  -1           HA3      GLY  -1 -22.485  -0.417   7.882
    5    HA3  GLY  -1           HA2      GLY  -1 -22.375  -1.854   8.887
    6    H    SER   0           H        SER   0 -20.884  -2.735   7.407
    7    HA   SER   0           HA       SER   0 -20.215  -4.048   5.693
    8    HB2  SER   0           HB2      SER   0 -22.220  -5.353   6.594
    9    HB3  SER   0           HB3      SER   0 -23.128  -4.701   5.229
   10    HG   SER   0           HG       SER   0 -20.716  -6.208   5.032
   11    H    MET   1           H        MET   1 -20.941  -1.257   5.190
   12    HA   MET   1           HA       MET   1 -21.760  -1.298   2.389
   13    HB2  MET   1           HB2      MET   1 -22.722   0.474   3.729
   14    HB3  MET   1           HB3      MET   1 -21.131   0.975   4.285
   15    HG2  MET   1           HG2      MET   1 -20.545   1.644   2.012
   16    HG3  MET   1           HG3      MET   1 -22.139   1.143   1.454
   17    HE1  MET   1           HE1      MET   1 -24.515   3.710   3.130
   18    HE2  MET   1           HE2      MET   1 -24.108   2.087   3.687
   19    HE3  MET   1           HE3      MET   1 -24.367   2.391   1.970
   20    H    ALA   2           H        ALA   2 -19.117   0.186   4.265
   21    HA   ALA   2           HA       ALA   2 -17.331  -0.097   1.993
   22    HB1  ALA   2           HB1      ALA   2 -16.778   0.991   4.751
   23    HB2  ALA   2           HB2      ALA   2 -17.260   1.950   3.353
   24    HB3  ALA   2           HB3      ALA   2 -15.715   1.102   3.350
   25    H    GLU   3           H        GLU   3 -18.139  -1.632   4.946
   26    HA   GLU   3           HA       GLU   3 -17.553  -3.567   5.942
   27    HB2  GLU   3           HB2      GLU   3 -17.924  -4.380   3.578
   28    HB3  GLU   3           HB3      GLU   3 -16.185  -4.291   3.347
   29    HG2  GLU   3           HG2      GLU   3 -16.927  -6.551   3.848
   30    HG3  GLU   3           HG3      GLU   3 -15.835  -5.930   5.082
   31    H    ALA   4           H        ALA   4 -15.985  -1.444   6.526
   32    HA   ALA   4           HA       ALA   4 -14.056  -0.837   7.542
   33    HB1  ALA   4           HB1      ALA   4 -12.637  -2.570   8.501
   34    HB2  ALA   4           HB2      ALA   4 -13.452  -3.791   7.525
   35    HB3  ALA   4           HB3      ALA   4 -14.342  -2.927   8.778
   36    H    SER   5           H        SER   5 -11.498  -1.238   7.355
   37    HA   SER   5           HA       SER   5 -10.693  -2.008   4.695
   38    HB2  SER   5           HB2      SER   5 -11.451   0.394   4.495
   39    HB3  SER   5           HB3      SER   5 -10.140   0.828   5.589
   40    HG   SER   5           HG       SER   5  -8.767   0.618   4.014
   41    HA   PRO   6           HA       PRO   6  -7.355  -2.914   7.686
   42    HB2  PRO   6           HB2      PRO   6  -6.986  -5.311   6.089
   43    HB3  PRO   6           HB3      PRO   6  -7.417  -5.177   7.792
   44    HG2  PRO   6           HG2      PRO   6  -9.133  -6.085   5.879
   45    HG3  PRO   6           HG3      PRO   6  -9.663  -5.280   7.366
   46    HD2  PRO   6           HD2      PRO   6  -9.403  -4.174   4.599
   47    HD3  PRO   6           HD3      PRO   6 -10.660  -3.880   5.818
   48    H    HIS   7           H        HIS   7  -7.762  -2.541   4.349
   49    HA   HIS   7           HA       HIS   7  -5.239  -1.364   3.930
   50    HB2  HIS   7           HB2      HIS   7  -4.373  -2.960   2.229
   51    HB3  HIS   7           HB3      HIS   7  -4.366  -3.618   3.852
   52    HD1  HIS   7           HD1      HIS   7  -5.847  -4.122   0.478
   53    HD2  HIS   7           HD2      HIS   7  -6.223  -5.717   4.294
   54    HE1  HIS   7           HE1      HIS   7  -7.111  -6.273   0.188
   55    HE2  HIS   7           HE2      HIS   7  -7.490  -7.119   2.531
   56    HA   PRO   8           HA       PRO   8  -8.001   0.088   0.742
   57    HB2  PRO   8           HB2      PRO   8  -6.604   2.365   0.197
   58    HB3  PRO   8           HB3      PRO   8  -7.685   2.189   1.579
   59    HG2  PRO   8           HG2      PRO   8  -4.774   2.358   1.522
   60    HG3  PRO   8           HG3      PRO   8  -5.878   2.530   2.893
   61    HD2  PRO   8           HD2      PRO   8  -4.287   0.241   2.120
   62    HD3  PRO   8           HD3      PRO   8  -5.271   0.463   3.574
   63    H    GLY   9           H        GLY   9  -4.624   0.944   0.013
   64    HA2  GLY   9           HA2      GLY   9  -3.862  -0.986  -1.718
   65    HA3  GLY   9           HA3      GLY   9  -4.897   0.034  -2.716
   66    H    ARG  10           H        ARG  10  -4.359   2.471  -1.594
   67    HA   ARG  10           HA       ARG  10  -1.883   3.179  -2.794
   68    HB2  ARG  10           HB2      ARG  10  -2.418   5.439  -1.852
   69    HB3  ARG  10           HB3      ARG  10  -3.687   4.753  -2.855
   70    HG2  ARG  10           HG2      ARG  10  -5.038   4.268  -1.021
   71    HG3  ARG  10           HG3      ARG  10  -3.715   4.459   0.126
   72    HD2  ARG  10           HD2      ARG  10  -4.712   6.473   0.423
   73    HD3  ARG  10           HD3      ARG  10  -3.707   6.884  -0.960
   74    HE   ARG  10           HE       ARG  10  -5.749   6.344  -2.330
   75   HH11  ARG  10          HH11      ARG  10  -5.944   7.483   0.970
   76   HH12  ARG  10          HH12      ARG  10  -7.490   8.245   0.748
   77   HH21  ARG  10          HH21      ARG  10  -7.782   7.343  -2.629
   78   HH22  ARG  10          HH22      ARG  10  -8.538   8.156  -1.298
   79    H    TYR  11           H        TYR  11   0.014   2.772  -1.889
   80    HA   TYR  11           HA       TYR  11   0.381   3.629   0.897
   81    HB2  TYR  11           HB2      TYR  11   1.328   1.120  -0.416
   82    HB3  TYR  11           HB3      TYR  11   2.359   1.890   0.779
   83    HD1  TYR  11           HD2      TYR  11  -1.191   0.775   0.374
   84    HD2  TYR  11           HD1      TYR  11   2.124   1.320   2.973
   85    HE1  TYR  11           HE2      TYR  11  -2.435  -0.312   2.187
   86    HE2  TYR  11           HE1      TYR  11   0.898   0.242   4.792
   87    HH   TYR  11           HH       TYR  11  -1.856  -1.574   4.332
   88    H    PHE  12           H        PHE  12   2.639   4.233   1.352
   89    HA   PHE  12           HA       PHE  12   4.065   5.134  -1.051
   90    HB2  PHE  12           HB2      PHE  12   2.746   6.928   0.223
   91    HB3  PHE  12           HB3      PHE  12   3.958   6.751   1.489
   92    HD1  PHE  12           HD2      PHE  12   3.326   7.757  -1.958
   93    HD2  PHE  12           HD1      PHE  12   6.162   7.625   1.208
   94    HE1  PHE  12           HE2      PHE  12   4.774   9.321  -3.196
   95    HE2  PHE  12           HE1      PHE  12   7.626   9.184  -0.025
   96    HZ   PHE  12           HZ       PHE  12   6.924  10.037  -2.229
   97    H    CYS  13           H        CYS  13   5.930   4.096  -1.114
   98    HA   CYS  13           HA       CYS  13   7.019   2.849   1.239
   99    HB2  CYS  13           HB2      CYS  13   7.177   1.612  -0.803
  100    HB3  CYS  13           HB3      CYS  13   7.936   2.960  -1.633
  101    H    HIS  14           H        HIS  14   8.722   3.451   2.426
  102    HA   HIS  14           HA       HIS  14   9.714   6.151   2.040
  103    HB2  HIS  14           HB2      HIS  14   9.683   4.187   4.271
  104    HB3  HIS  14           HB3      HIS  14  10.984   5.378   4.262
  105    HD1  HIS  14           HD1      HIS  14  10.422   7.455   5.470
  106    HD2  HIS  14           HD2      HIS  14   7.033   5.605   3.934
  107    HE1  HIS  14           HE1      HIS  14   8.486   8.875   6.208
  108    HE2  HIS  14           HE2      HIS  14   6.460   7.826   5.138
  109    H    CYS  15           H        CYS  15  10.711   3.012   1.278
  110    HA   CYS  15           HA       CYS  15  13.542   3.633   1.218
  111    HB2  CYS  15           HB2      CYS  15  12.720   1.345   1.717
  112    HB3  CYS  15           HB3      CYS  15  12.046   1.253   0.100
  113    HG   CYS  15           HG       CYS  15  15.201   0.818   1.121
  114    H    CYS  16           H        CYS  16  10.838   3.336  -0.981
  115    HA   CYS  16           HA       CYS  16  12.540   3.986  -3.273
  116    HB2  CYS  16           HB2      CYS  16   9.619   3.221  -3.160
  117    HB3  CYS  16           HB3      CYS  16  10.531   3.513  -4.629
  118    H    SER  17           H        SER  17  10.490   5.466  -1.059
  119    HA   SER  17           HA       SER  17   9.262   7.341  -0.891
  120    HB2  SER  17           HB2      SER  17  10.324   9.419  -1.738
  121    HB3  SER  17           HB3      SER  17  11.425   8.393  -0.830
  122    HG   SER  17           HG       SER  17  11.483   7.794  -3.475
  123    H    VAL  18           H        VAL  18   8.163   5.668  -2.687
  124    HA   VAL  18           HA       VAL  18   6.862   7.528  -4.533
  125    HB   VAL  18           HB       VAL  18   6.767   5.851  -6.309
  126   HG11  VAL  18          HG11      VAL  18   9.089   5.937  -7.046
  127   HG12  VAL  18          HG12      VAL  18   9.596   6.381  -5.416
  128   HG13  VAL  18          HG13      VAL  18   8.583   7.479  -6.356
  129   HG21  VAL  18          HG21      VAL  18   8.187   3.840  -6.194
  130   HG22  VAL  18          HG22      VAL  18   6.892   3.837  -4.996
  131   HG23  VAL  18          HG23      VAL  18   8.542   4.220  -4.509
  132    H    GLU  19           H        GLU  19   4.812   6.646  -5.352
  133    HA   GLU  19           HA       GLU  19   3.327   5.490  -3.148
  134    HB2  GLU  19           HB2      GLU  19   2.683   7.462  -4.801
  135    HB3  GLU  19           HB3      GLU  19   2.071   6.139  -5.780
  136    HG2  GLU  19           HG2      GLU  19   0.851   5.428  -3.646
  137    HG3  GLU  19           HG3      GLU  19   1.196   7.052  -3.080
  138    H    ILE  20           H        ILE  20   2.657   3.439  -3.044
  139    HA   ILE  20           HA       ILE  20   3.013   1.701  -5.403
  140    HB   ILE  20           HB       ILE  20   3.977  -0.041  -3.930
  141   HG12  ILE  20          HG12      ILE  20   4.800   1.782  -1.819
  142   HG13  ILE  20          HG13      ILE  20   3.055   1.591  -1.885
  143   HG21  ILE  20          HG21      ILE  20   5.473   1.312  -5.261
  144   HG22  ILE  20          HG22      ILE  20   6.214   0.950  -3.702
  145   HG23  ILE  20          HG23      ILE  20   5.520   2.544  -4.001
  146   HD11  ILE  20          HD11      ILE  20   3.359  -0.849  -1.760
  147   HD12  ILE  20          HD12      ILE  20   3.993   0.005  -0.354
  148   HD13  ILE  20          HD13      ILE  20   5.097  -0.596  -1.593
  149    H    VAL  21           H        VAL  21   2.015  -0.403  -5.140
  150    HA   VAL  21           HA       VAL  21  -0.119  -0.493  -3.113
  151    HB   VAL  21           HB       VAL  21  -1.193  -0.472  -5.236
  152   HG11  VAL  21          HG11      VAL  21  -0.605  -1.964  -7.074
  153   HG12  VAL  21          HG12      VAL  21   0.717  -2.628  -6.114
  154   HG13  VAL  21          HG13      VAL  21   0.755  -0.936  -6.616
  155   HG21  VAL  21          HG21      VAL  21  -2.256  -2.675  -5.353
  156   HG22  VAL  21          HG22      VAL  21  -2.085  -2.125  -3.687
  157   HG23  VAL  21          HG23      VAL  21  -0.983  -3.341  -4.330
  158    HA   PRO  22           HA       PRO  22   2.847  -3.368  -1.478
  159    HB2  PRO  22           HB2      PRO  22   0.694  -4.026   0.431
  160    HB3  PRO  22           HB3      PRO  22   2.315  -3.417   0.735
  161    HG2  PRO  22           HG2      PRO  22   0.182  -1.860   1.033
  162    HG3  PRO  22           HG3      PRO  22   1.705  -1.224   0.384
  163    HD2  PRO  22           HD2      PRO  22  -0.795  -1.990  -1.064
  164    HD3  PRO  22           HD3      PRO  22   0.278  -0.600  -1.325
  165    H    ARG  23           H        ARG  23   3.293  -5.484  -1.678
  166    HA   ARG  23           HA       ARG  23   1.445  -7.316  -2.832
  167    HB2  ARG  23           HB2      ARG  23   4.072  -7.777  -1.393
  168    HB3  ARG  23           HB3      ARG  23   3.176  -9.027  -2.241
  169    HG2  ARG  23           HG2      ARG  23   3.460  -7.814  -4.340
  170    HG3  ARG  23           HG3      ARG  23   4.345  -6.546  -3.490
  171    HD2  ARG  23           HD2      ARG  23   6.059  -8.152  -2.865
  172    HD3  ARG  23           HD3      ARG  23   5.164  -9.444  -3.659
  173    HE   ARG  23           HE       ARG  23   5.635  -7.430  -5.540
  174   HH11  ARG  23          HH11      ARG  23   7.404  -9.823  -3.699
  175   HH12  ARG  23          HH12      ARG  23   8.702  -9.935  -4.844
  176   HH21  ARG  23          HH21      ARG  23   7.328  -7.581  -7.059
  177   HH22  ARG  23          HH22      ARG  23   8.652  -8.668  -6.769
  178    H    LEU  24           H        LEU  24  -0.327  -7.833  -1.717
  179    HA   LEU  24           HA       LEU  24  -0.673  -7.031   0.902
  180    HB2  LEU  24           HB2      LEU  24  -2.273  -7.970  -1.166
  181    HB3  LEU  24           HB3      LEU  24  -2.602  -9.018   0.197
  182    HG   LEU  24           HG       LEU  24  -4.113  -7.055   0.054
  183   HD11  LEU  24          HD11      LEU  24  -2.348  -7.181   2.487
  184   HD12  LEU  24          HD12      LEU  24  -3.766  -8.181   2.175
  185   HD13  LEU  24          HD13      LEU  24  -3.948  -6.443   2.416
  186   HD21  LEU  24          HD21      LEU  24  -3.305  -4.855   0.570
  187   HD22  LEU  24          HD22      LEU  24  -2.399  -5.480  -0.807
  188   HD23  LEU  24          HD23      LEU  24  -1.665  -5.462   0.797
  189    HA   PRO  25           HA       PRO  25  -0.574 -11.777   2.251
  190    HB2  PRO  25           HB2      PRO  25   1.628 -12.522   0.385
  191    HB3  PRO  25           HB3      PRO  25   0.316 -13.522   1.021
  192    HG2  PRO  25           HG2      PRO  25   0.200 -12.649  -1.458
  193    HG3  PRO  25           HG3      PRO  25  -1.252 -12.569  -0.438
  194    HD2  PRO  25           HD2      PRO  25   0.652 -10.384  -1.191
  195    HD3  PRO  25           HD3      PRO  25  -1.117 -10.352  -1.095
  196    H    ASP  26           H        ASP  26   2.136  -9.784   1.234
  197    HA   ASP  26           HA       ASP  26   3.603 -10.617   3.653
  198    HB2  ASP  26           HB2      ASP  26   4.621  -9.639   0.990
  199    HB3  ASP  26           HB3      ASP  26   5.638  -9.711   2.425
  200    H    TYR  27           H        TYR  27   1.987  -8.074   2.167
  201    HA   TYR  27           HA       TYR  27   1.722  -5.868   2.539
  202    HB2  TYR  27           HB2      TYR  27   2.339  -6.969   5.213
  203    HB3  TYR  27           HB3      TYR  27   2.470  -5.221   5.046
  204    HD1  TYR  27           HD2      TYR  27   0.330  -4.484   3.282
  205    HD2  TYR  27           HD1      TYR  27   0.365  -7.463   6.319
  206    HE1  TYR  27           HE2      TYR  27  -2.100  -4.250   3.520
  207    HE2  TYR  27           HE1      TYR  27  -2.071  -7.246   6.566
  208    HH   TYR  27           HH       TYR  27  -3.816  -5.472   6.132
  209    H    ILE  28           H        ILE  28   4.113  -6.527   1.261
  210    HA   ILE  28           HA       ILE  28   5.980  -4.549   2.380
  211    HB   ILE  28           HB       ILE  28   7.719  -5.708   0.983
  212   HG12  ILE  28          HG12      ILE  28   5.570  -7.831   0.796
  213   HG13  ILE  28          HG13      ILE  28   6.173  -6.864  -0.543
  214   HG21  ILE  28          HG21      ILE  28   6.399  -7.309   3.169
  215   HG22  ILE  28          HG22      ILE  28   7.599  -6.034   3.381
  216   HG23  ILE  28          HG23      ILE  28   8.045  -7.541   2.580
  217   HD11  ILE  28          HD11      ILE  28   7.740  -8.864   1.059
  218   HD12  ILE  28          HD12      ILE  28   8.387  -7.868  -0.246
  219   HD13  ILE  28          HD13      ILE  28   7.139  -9.067  -0.587
  220    H    CYS  29           H        CYS  29   7.592  -4.144   0.304
  221    HA   CYS  29           HA       CYS  29   5.979  -2.492  -1.458
  222    HB2  CYS  29           HB2      CYS  29   8.042  -1.672  -0.297
  223    HB3  CYS  29           HB3      CYS  29   8.976  -2.822  -1.227
  224    HA   PRO  30           HA       PRO  30   6.400  -5.479  -4.749
  225    HB2  PRO  30           HB2      PRO  30   5.500  -3.982  -6.795
  226    HB3  PRO  30           HB3      PRO  30   4.417  -4.568  -5.530
  227    HG2  PRO  30           HG2      PRO  30   5.600  -1.856  -5.906
  228    HG3  PRO  30           HG3      PRO  30   3.980  -2.304  -5.350
  229    HD2  PRO  30           HD2      PRO  30   6.073  -1.551  -3.707
  230    HD3  PRO  30           HD3      PRO  30   4.662  -2.499  -3.184
  231    H    ARG  31           H        ARG  31   8.038  -2.529  -4.459
  232    HA   ARG  31           HA       ARG  31   9.703  -2.971  -6.804
  233    HB2  ARG  31           HB2      ARG  31  10.084  -0.683  -4.929
  234    HB3  ARG  31           HB3      ARG  31  10.299  -0.745  -6.666
  235    HG2  ARG  31           HG2      ARG  31   7.691  -1.123  -6.598
  236    HG3  ARG  31           HG3      ARG  31   7.859  -0.291  -5.064
  237    HD2  ARG  31           HD2      ARG  31   7.378   1.274  -6.848
  238    HD3  ARG  31           HD3      ARG  31   8.976   1.557  -6.171
  239    HE   ARG  31           HE       ARG  31   9.457  -0.075  -8.287
  240   HH11  ARG  31          HH11      ARG  31   7.715   2.943  -7.956
  241   HH12  ARG  31          HH12      ARG  31   8.145   3.511  -9.535
  242   HH21  ARG  31          HH21      ARG  31  10.013   0.659 -10.367
  243   HH22  ARG  31          HH22      ARG  31   9.452   2.208 -10.912
  244    H    CYS  32           H        CYS  32  10.068  -2.590  -3.251
  245    HA   CYS  32           HA       CYS  32  12.799  -3.613  -3.613
  246    HB2  CYS  32           HB2      CYS  32  13.620  -2.167  -1.869
  247    HB3  CYS  32           HB3      CYS  32  12.787  -1.198  -3.075
  248    H    GLU  33           H        GLU  33   9.855  -4.272  -2.225
  249    HA   GLU  33           HA       GLU  33   9.096  -5.763  -0.687
  250    HB2  GLU  33           HB2      GLU  33  11.810  -6.971  -1.217
  251    HB3  GLU  33           HB3      GLU  33  10.554  -7.755  -0.278
  252    HG2  GLU  33           HG2      GLU  33   9.077  -7.649  -2.271
  253    HG3  GLU  33           HG3      GLU  33  10.449  -7.027  -3.189
  254    H    SER  34           H        SER  34  10.113  -3.443   0.442
  255    HA   SER  34           HA       SER  34  11.909  -4.180   2.588
  256    HB2  SER  34           HB2      SER  34  12.482  -2.107   1.668
  257    HB3  SER  34           HB3      SER  34  10.803  -1.582   1.567
  258    HG   SER  34           HG       SER  34  12.587  -1.279   3.582
  259    H    GLY  35           H        GLY  35   8.726  -2.573   2.401
  260    HA2  GLY  35           HA2      GLY  35   6.931  -3.399   3.835
  261    HA3  GLY  35           HA3      GLY  35   8.162  -3.685   5.053
  262    H    PHE  36           H        PHE  36   9.515  -1.135   4.344
  263    HA   PHE  36           HA       PHE  36   8.157   0.634   6.095
  264    HB2  PHE  36           HB2      PHE  36  10.525   0.887   4.277
  265    HB3  PHE  36           HB3      PHE  36   9.833   2.323   5.020
  266    HD1  PHE  36           HD1      PHE  36  11.312  -0.985   5.786
  267    HD2  PHE  36           HD2      PHE  36  10.294   2.888   7.206
  268    HE1  PHE  36           HE1      PHE  36  12.581  -1.417   7.850
  269    HE2  PHE  36           HE2      PHE  36  11.561   2.469   9.277
  270    HZ   PHE  36           HZ       PHE  36  12.706   0.313   9.600
  271    H    ILE  37           H        ILE  37   6.056   0.765   5.190
  272    HA   ILE  37           HA       ILE  37   5.872   2.657   2.963
  273    HB   ILE  37           HB       ILE  37   3.926   1.400   2.071
  274   HG12  ILE  37          HG12      ILE  37   4.797  -0.648   4.116
  275   HG13  ILE  37          HG13      ILE  37   3.227   0.106   3.966
  276   HG21  ILE  37          HG21      ILE  37   5.301  -0.436   1.050
  277   HG22  ILE  37          HG22      ILE  37   6.609   0.050   2.133
  278   HG23  ILE  37          HG23      ILE  37   5.986   1.186   0.934
  279   HD11  ILE  37          HD11      ILE  37   4.419  -1.792   1.959
  280   HD12  ILE  37          HD12      ILE  37   2.799  -1.097   1.919
  281   HD13  ILE  37          HD13      ILE  37   3.242  -2.223   3.198
  282    H    GLU  38           H        GLU  38   3.995   3.934   2.955
  283    HA   GLU  38           HA       GLU  38   2.648   4.043   5.564
  284    HB2  GLU  38           HB2      GLU  38   3.414   6.204   3.631
  285    HB3  GLU  38           HB3      GLU  38   2.190   6.468   4.866
  286    HG2  GLU  38           HG2      GLU  38   3.955   5.715   6.535
  287    HG3  GLU  38           HG3      GLU  38   5.111   5.902   5.215
  288    H    GLU  39           H        GLU  39   0.554   3.718   5.628
  289    HA   GLU  39           HA       GLU  39  -0.966   3.366   3.203
  290    HB2  GLU  39           HB2      GLU  39  -1.192   1.965   5.304
  291    HB3  GLU  39           HB3      GLU  39  -1.959   3.351   6.060
  292    HG2  GLU  39           HG2      GLU  39  -3.082   2.439   3.483
  293    HG3  GLU  39           HG3      GLU  39  -3.311   1.386   4.879
  294    H    LEU  40           H        LEU  40  -1.681   5.079   2.150
  295    HA   LEU  40           HA       LEU  40  -1.439   7.670   3.325
  296    HB2  LEU  40           HB2      LEU  40  -2.412   6.827   0.615
  297    HB3  LEU  40           HB3      LEU  40  -2.110   8.484   1.090
  298    HG   LEU  40           HG       LEU  40  -0.035   6.300   0.940
  299   HD11  LEU  40          HD11      LEU  40  -0.814   6.977  -1.247
  300   HD12  LEU  40          HD12      LEU  40   0.827   7.555  -0.958
  301   HD13  LEU  40          HD13      LEU  40  -0.535   8.670  -0.840
  302   HD21  LEU  40          HD21      LEU  40   0.187   9.228   1.613
  303   HD22  LEU  40          HD22      LEU  40   1.557   8.175   1.267
  304   HD23  LEU  40          HD23      LEU  40   0.540   7.864   2.674
  Start of MODEL   15
    1    H1   GLY  -1           H1       GLY  -1 -21.280  -8.990  -8.132
    2    H2   GLY  -1           H2       GLY  -1 -22.123  -7.682  -7.476
    3    H3   GLY  -1           H3       GLY  -1 -20.572  -8.049  -6.916
    4    HA2  GLY  -1           HA3      GLY  -1 -19.635  -7.517  -9.082
    5    HA3  GLY  -1           HA2      GLY  -1 -21.249  -7.122  -9.651
    6    H    SER   0           H        SER   0 -22.409  -5.463  -8.166
    7    HA   SER   0           HA       SER   0 -20.739  -3.131  -8.194
    8    HB2  SER   0           HB2      SER   0 -22.866  -1.987  -7.455
    9    HB3  SER   0           HB3      SER   0 -22.992  -2.882  -8.969
   10    HG   SER   0           HG       SER   0 -24.744  -3.486  -7.800
   11    H    MET   1           H        MET   1 -19.674  -2.261  -6.573
   12    HA   MET   1           HA       MET   1 -18.852  -1.804  -4.522
   13    HB2  MET   1           HB2      MET   1 -21.096  -0.846  -4.183
   14    HB3  MET   1           HB3      MET   1 -21.671  -2.402  -3.604
   15    HG2  MET   1           HG2      MET   1 -21.214  -0.854  -1.774
   16    HG3  MET   1           HG3      MET   1 -20.183  -2.282  -1.701
   17    HE1  MET   1           HE1      MET   1 -19.587   0.335  -0.015
   18    HE2  MET   1           HE2      MET   1 -17.847   0.495  -0.256
   19    HE3  MET   1           HE3      MET   1 -18.557  -1.097   0.006
   20    H    ALA   2           H        ALA   2 -17.614  -3.797  -4.871
   21    HA   ALA   2           HA       ALA   2 -18.323  -5.918  -2.963
   22    HB1  ALA   2           HB1      ALA   2 -16.675  -7.296  -4.116
   23    HB2  ALA   2           HB2      ALA   2 -16.249  -5.937  -5.155
   24    HB3  ALA   2           HB3      ALA   2 -17.857  -6.655  -5.258
   25    H    GLU   3           H        GLU   3 -17.150  -3.189  -2.496
   26    HA   GLU   3           HA       GLU   3 -15.644  -2.162  -1.173
   27    HB2  GLU   3           HB2      GLU   3 -15.308  -4.935  -0.023
   28    HB3  GLU   3           HB3      GLU   3 -14.700  -3.456   0.709
   29    HG2  GLU   3           HG2      GLU   3 -16.986  -2.616   0.880
   30    HG3  GLU   3           HG3      GLU   3 -17.584  -4.131   0.207
   31    H    ALA   4           H        ALA   4 -14.752  -2.913  -3.695
   32    HA   ALA   4           HA       ALA   4 -12.051  -3.916  -3.424
   33    HB1  ALA   4           HB1      ALA   4 -13.409  -4.485  -5.398
   34    HB2  ALA   4           HB2      ALA   4 -11.912  -3.661  -5.831
   35    HB3  ALA   4           HB3      ALA   4 -13.440  -2.780  -5.849
   36    H    SER   5           H        SER   5 -13.599  -0.972  -3.044
   37    HA   SER   5           HA       SER   5 -11.167   0.544  -3.635
   38    HB2  SER   5           HB2      SER   5 -13.912   1.606  -2.930
   39    HB3  SER   5           HB3      SER   5 -12.532   2.548  -3.483
   40    HG   SER   5           HG       SER   5 -12.654   1.008  -5.379
   41    HA   PRO   6           HA       PRO   6 -11.921   1.638   1.003
   42    HB2  PRO   6           HB2      PRO   6 -13.765  -0.329   2.101
   43    HB3  PRO   6           HB3      PRO   6 -13.879   1.431   2.122
   44    HG2  PRO   6           HG2      PRO   6 -15.539  -0.133   0.659
   45    HG3  PRO   6           HG3      PRO   6 -15.077   1.508   0.167
   46    HD2  PRO   6           HD2      PRO   6 -14.008  -1.126  -0.777
   47    HD3  PRO   6           HD3      PRO   6 -14.414   0.324  -1.713
   48    H    HIS   7           H        HIS   7  -9.831   0.648   0.764
   49    HA   HIS   7           HA       HIS   7  -9.227  -1.162   2.830
   50    HB2  HIS   7           HB2      HIS   7  -8.486  -3.114   1.635
   51    HB3  HIS   7           HB3      HIS   7 -10.133  -2.805   1.126
   52    HD1  HIS   7           HD1      HIS   7  -6.673  -3.091  -0.147
   53    HD2  HIS   7           HD2      HIS   7 -10.374  -1.809  -1.542
   54    HE1  HIS   7           HE1      HIS   7  -6.435  -2.926  -2.642
   55    HE2  HIS   7           HE2      HIS   7  -8.642  -2.021  -3.450
   56    HA   PRO   8           HA       PRO   8  -5.237   0.737   2.099
   57    HB2  PRO   8           HB2      PRO   8  -3.987  -1.870   2.724
   58    HB3  PRO   8           HB3      PRO   8  -3.758  -0.301   3.500
   59    HG2  PRO   8           HG2      PRO   8  -5.113  -2.260   4.695
   60    HG3  PRO   8           HG3      PRO   8  -5.591  -0.562   4.874
   61    HD2  PRO   8           HD2      PRO   8  -6.807  -2.706   3.179
   62    HD3  PRO   8           HD3      PRO   8  -7.597  -1.402   4.092
   63    H    GLY   9           H        GLY   9  -4.561   1.103   0.084
   64    HA2  GLY   9           HA2      GLY   9  -3.635  -1.142  -1.535
   65    HA3  GLY   9           HA3      GLY   9  -4.931  -0.160  -2.201
   66    H    ARG  10           H        ARG  10  -4.146   2.338  -1.313
   67    HA   ARG  10           HA       ARG  10  -1.797   2.848  -2.940
   68    HB2  ARG  10           HB2      ARG  10  -2.409   5.252  -2.474
   69    HB3  ARG  10           HB3      ARG  10  -3.618   4.313  -3.341
   70    HG2  ARG  10           HG2      ARG  10  -5.065   4.256  -1.565
   71    HG3  ARG  10           HG3      ARG  10  -3.789   4.522  -0.377
   72    HD2  ARG  10           HD2      ARG  10  -4.302   6.672  -0.369
   73    HD3  ARG  10           HD3      ARG  10  -3.813   6.774  -2.058
   74    HE   ARG  10           HE       ARG  10  -6.110   6.372  -2.677
   75   HH11  ARG  10          HH11      ARG  10  -5.552   7.031   0.722
   76   HH12  ARG  10          HH12      ARG  10  -7.160   7.630   0.994
   77   HH21  ARG  10          HH21      ARG  10  -8.238   7.142  -2.308
   78   HH22  ARG  10          HH22      ARG  10  -8.689   7.676  -0.719
   79    H    TYR  11           H        TYR  11   0.055   2.462  -1.905
   80    HA   TYR  11           HA       TYR  11   0.368   3.538   0.821
   81    HB2  TYR  11           HB2      TYR  11   1.415   1.058  -0.471
   82    HB3  TYR  11           HB3      TYR  11   2.402   1.851   0.746
   83    HD1  TYR  11           HD1      TYR  11  -1.079   0.550   0.249
   84    HD2  TYR  11           HD2      TYR  11   2.118   1.319   2.951
   85    HE1  TYR  11           HE1      TYR  11  -2.311  -0.611   2.048
   86    HE2  TYR  11           HE2      TYR  11   0.915   0.167   4.733
   87    HH   TYR  11           HH       TYR  11  -1.499  -0.369   5.278
   88    H    PHE  12           H        PHE  12   2.650   4.145   1.325
   89    HA   PHE  12           HA       PHE  12   4.080   5.111  -1.055
   90    HB2  PHE  12           HB2      PHE  12   2.755   6.871   0.260
   91    HB3  PHE  12           HB3      PHE  12   3.962   6.662   1.527
   92    HD1  PHE  12           HD1      PHE  12   3.344   7.750  -1.899
   93    HD2  PHE  12           HD2      PHE  12   6.168   7.552   1.277
   94    HE1  PHE  12           HE1      PHE  12   4.794   9.344  -3.092
   95    HE2  PHE  12           HE2      PHE  12   7.632   9.145   0.084
   96    HZ   PHE  12           HZ       PHE  12   6.937  10.045  -2.099
   97    H    CYS  13           H        CYS  13   5.970   4.116  -1.135
   98    HA   CYS  13           HA       CYS  13   7.061   2.815   1.193
   99    HB2  CYS  13           HB2      CYS  13   7.231   1.626  -0.874
  100    HB3  CYS  13           HB3      CYS  13   7.976   2.999  -1.675
  101    H    HIS  14           H        HIS  14   8.669   3.462   2.452
  102    HA   HIS  14           HA       HIS  14   9.588   6.174   2.262
  103    HB2  HIS  14           HB2      HIS  14   9.980   3.926   4.203
  104    HB3  HIS  14           HB3      HIS  14  11.016   5.347   4.297
  105    HD1  HIS  14           HD1      HIS  14  10.007   6.035   6.576
  106    HD2  HIS  14           HD2      HIS  14   7.244   5.849   3.478
  107    HE1  HIS  14           HE1      HIS  14   7.950   7.184   7.436
  108    HE2  HIS  14           HE2      HIS  14   6.401   7.278   5.453
  109    H    CYS  15           H        CYS  15  10.795   3.113   1.267
  110    HA   CYS  15           HA       CYS  15  13.549   3.986   1.123
  111    HB2  CYS  15           HB2      CYS  15  12.900   1.616   1.607
  112    HB3  CYS  15           HB3      CYS  15  12.286   1.494  -0.035
  113    HG   CYS  15           HG       CYS  15  15.552   2.108   0.785
  114    H    CYS  16           H        CYS  16  10.908   3.276  -1.120
  115    HA   CYS  16           HA       CYS  16  12.504   4.073  -3.408
  116    HB2  CYS  16           HB2      CYS  16   9.600   3.249  -3.229
  117    HB3  CYS  16           HB3      CYS  16  10.473   3.553  -4.719
  118    H    SER  17           H        SER  17  10.439   5.499  -1.168
  119    HA   SER  17           HA       SER  17   9.206   7.369  -0.975
  120    HB2  SER  17           HB2      SER  17  10.247   9.451  -1.819
  121    HB3  SER  17           HB3      SER  17  11.372   8.420  -0.939
  122    HG   SER  17           HG       SER  17  11.462   7.756  -3.524
  123    H    VAL  18           H        VAL  18   8.036   5.732  -2.695
  124    HA   VAL  18           HA       VAL  18   6.759   7.562  -4.584
  125    HB   VAL  18           HB       VAL  18   6.649   5.835  -6.325
  126   HG11  VAL  18          HG11      VAL  18   8.447   7.483  -6.433
  127   HG12  VAL  18          HG12      VAL  18   8.964   5.927  -7.084
  128   HG13  VAL  18          HG13      VAL  18   9.479   6.421  -5.471
  129   HG21  VAL  18          HG21      VAL  18   8.112   3.851  -6.162
  130   HG22  VAL  18          HG22      VAL  18   6.809   3.857  -4.975
  131   HG23  VAL  18          HG23      VAL  18   8.447   4.278  -4.486
  132    H    GLU  19           H        GLU  19   4.707   6.654  -5.389
  133    HA   GLU  19           HA       GLU  19   3.222   5.498  -3.180
  134    HB2  GLU  19           HB2      GLU  19   2.631   7.419  -5.007
  135    HB3  GLU  19           HB3      GLU  19   1.873   6.027  -5.760
  136    HG2  GLU  19           HG2      GLU  19   0.691   5.642  -3.608
  137    HG3  GLU  19           HG3      GLU  19   1.343   7.171  -3.044
  138    H    ILE  20           H        ILE  20   2.595   3.407  -3.091
  139    HA   ILE  20           HA       ILE  20   2.978   1.729  -5.491
  140    HB   ILE  20           HB       ILE  20   3.922  -0.051  -4.021
  141   HG12  ILE  20          HG12      ILE  20   4.806   1.803  -1.958
  142   HG13  ILE  20          HG13      ILE  20   3.062   1.579  -1.963
  143   HG21  ILE  20          HG21      ILE  20   5.482   2.517  -4.168
  144   HG22  ILE  20          HG22      ILE  20   5.410   1.252  -5.395
  145   HG23  ILE  20          HG23      ILE  20   6.173   0.929  -3.838
  146   HD11  ILE  20          HD11      ILE  20   3.424  -0.856  -1.823
  147   HD12  ILE  20          HD12      ILE  20   4.080   0.031  -0.446
  148   HD13  ILE  20          HD13      ILE  20   5.160  -0.558  -1.710
  149    H    VAL  21           H        VAL  21   2.008  -0.376  -5.319
  150    HA   VAL  21           HA       VAL  21  -0.187  -0.554  -3.368
  151    HB   VAL  21           HB       VAL  21  -1.180  -0.421  -5.530
  152   HG11  VAL  21          HG11      VAL  21   0.707  -2.584  -6.445
  153   HG12  VAL  21          HG12      VAL  21   0.816  -0.873  -6.862
  154   HG13  VAL  21          HG13      VAL  21  -0.563  -1.831  -7.413
  155   HG21  VAL  21          HG21      VAL  21  -2.260  -2.612  -5.783
  156   HG22  VAL  21          HG22      VAL  21  -2.172  -2.105  -4.096
  157   HG23  VAL  21          HG23      VAL  21  -1.051  -3.319  -4.711
  158    HA   PRO  22           HA       PRO  22   2.852  -3.441  -1.861
  159    HB2  PRO  22           HB2      PRO  22   0.865  -3.976   0.242
  160    HB3  PRO  22           HB3      PRO  22   2.499  -3.339   0.376
  161    HG2  PRO  22           HG2      PRO  22   0.358  -1.795   0.763
  162    HG3  PRO  22           HG3      PRO  22   1.833  -1.172   0.004
  163    HD2  PRO  22           HD2      PRO  22  -0.740  -2.014  -1.265
  164    HD3  PRO  22           HD3      PRO  22   0.297  -0.620  -1.633
  165    H    ARG  23           H        ARG  23   3.181  -5.610  -1.638
  166    HA   ARG  23           HA       ARG  23   1.221  -7.458  -2.627
  167    HB2  ARG  23           HB2      ARG  23   3.839  -7.960  -1.182
  168    HB3  ARG  23           HB3      ARG  23   2.889  -9.171  -2.024
  169    HG2  ARG  23           HG2      ARG  23   3.273  -8.028  -4.136
  170    HG3  ARG  23           HG3      ARG  23   4.191  -6.776  -3.300
  171    HD2  ARG  23           HD2      ARG  23   5.752  -8.562  -2.525
  172    HD3  ARG  23           HD3      ARG  23   4.887  -9.694  -3.561
  173    HE   ARG  23           HE       ARG  23   5.566  -7.660  -5.233
  174   HH11  ARG  23          HH11      ARG  23   7.321  -9.799  -3.108
  175   HH12  ARG  23          HH12      ARG  23   8.811  -9.686  -3.993
  176   HH21  ARG  23          HH21      ARG  23   7.511  -7.520  -6.436
  177   HH22  ARG  23          HH22      ARG  23   8.901  -8.419  -5.922
  178    H    LEU  24           H        LEU  24  -0.536  -7.743  -1.383
  179    HA   LEU  24           HA       LEU  24  -0.758  -6.728   1.165
  180    HB2  LEU  24           HB2      LEU  24  -2.411  -8.053  -0.742
  181    HB3  LEU  24           HB3      LEU  24  -2.787  -8.607   0.867
  182    HG   LEU  24           HG       LEU  24  -4.113  -6.632   0.011
  183   HD11  LEU  24          HD11      LEU  24  -4.056  -7.263   2.364
  184   HD12  LEU  24          HD12      LEU  24  -4.122  -5.512   2.169
  185   HD13  LEU  24          HD13      LEU  24  -2.599  -6.295   2.587
  186   HD21  LEU  24          HD21      LEU  24  -1.586  -5.122   0.650
  187   HD22  LEU  24          HD22      LEU  24  -3.118  -4.455   0.080
  188   HD23  LEU  24          HD23      LEU  24  -2.150  -5.474  -0.983
  189    HA   PRO  25           HA       PRO  25  -0.745 -11.359   2.909
  190    HB2  PRO  25           HB2      PRO  25   1.429 -12.294   1.094
  191    HB3  PRO  25           HB3      PRO  25   0.115 -13.216   1.835
  192    HG2  PRO  25           HG2      PRO  25  -0.033 -12.557  -0.707
  193    HG3  PRO  25           HG3      PRO  25  -1.465 -12.376   0.328
  194    HD2  PRO  25           HD2      PRO  25   0.437 -10.285  -0.659
  195    HD3  PRO  25           HD3      PRO  25  -1.328 -10.226  -0.512
  196    H    ASP  26           H        ASP  26   2.158  -9.756   1.617
  197    HA   ASP  26           HA       ASP  26   3.486 -10.258   4.199
  198    HB2  ASP  26           HB2      ASP  26   4.593  -9.716   1.455
  199    HB3  ASP  26           HB3      ASP  26   5.581  -9.535   2.899
  200    H    TYR  27           H        TYR  27   1.945  -7.899   2.440
  201    HA   TYR  27           HA       TYR  27   1.751  -5.653   2.508
  202    HB2  TYR  27           HB2      TYR  27   2.350  -6.426   5.301
  203    HB3  TYR  27           HB3      TYR  27   2.508  -4.720   4.912
  204    HD1  TYR  27           HD1      TYR  27   0.368  -4.083   3.158
  205    HD2  TYR  27           HD2      TYR  27   0.375  -6.824   6.413
  206    HE1  TYR  27           HE1      TYR  27  -2.051  -3.763   3.425
  207    HE2  TYR  27           HE2      TYR  27  -2.049  -6.519   6.680
  208    HH   TYR  27           HH       TYR  27  -3.990  -5.070   4.372
  209    H    ILE  28           H        ILE  28   4.117  -6.486   1.295
  210    HA   ILE  28           HA       ILE  28   6.039  -4.477   2.249
  211    HB   ILE  28           HB       ILE  28   7.703  -5.734   0.799
  212   HG12  ILE  28          HG12      ILE  28   5.648  -7.939   1.046
  213   HG13  ILE  28          HG13      ILE  28   5.969  -7.054  -0.438
  214   HG21  ILE  28          HG21      ILE  28   8.157  -7.380   2.552
  215   HG22  ILE  28          HG22      ILE  28   6.553  -7.096   3.226
  216   HG23  ILE  28          HG23      ILE  28   7.749  -5.799   3.219
  217   HD11  ILE  28          HD11      ILE  28   8.270  -7.882  -0.423
  218   HD12  ILE  28          HD12      ILE  28   7.094  -9.198  -0.431
  219   HD13  ILE  28          HD13      ILE  28   7.930  -8.772   1.061
  220    H    CYS  29           H        CYS  29   7.612  -4.113   0.189
  221    HA   CYS  29           HA       CYS  29   5.997  -2.463  -1.571
  222    HB2  CYS  29           HB2      CYS  29   8.041  -1.631  -0.397
  223    HB3  CYS  29           HB3      CYS  29   8.995  -2.784  -1.302
  224    HA   PRO  30           HA       PRO  30   6.494  -5.450  -4.848
  225    HB2  PRO  30           HB2      PRO  30   5.501  -4.022  -6.895
  226    HB3  PRO  30           HB3      PRO  30   4.459  -4.614  -5.596
  227    HG2  PRO  30           HG2      PRO  30   5.536  -1.876  -6.064
  228    HG3  PRO  30           HG3      PRO  30   3.956  -2.366  -5.434
  229    HD2  PRO  30           HD2      PRO  30   6.118  -1.511  -3.909
  230    HD3  PRO  30           HD3      PRO  30   4.722  -2.427  -3.292
  231    H    ARG  31           H        ARG  31   8.036  -2.472  -4.551
  232    HA   ARG  31           HA       ARG  31   9.690  -2.798  -6.919
  233    HB2  ARG  31           HB2      ARG  31   9.946  -0.571  -4.938
  234    HB3  ARG  31           HB3      ARG  31  10.270  -0.558  -6.662
  235    HG2  ARG  31           HG2      ARG  31   7.720  -0.989  -6.853
  236    HG3  ARG  31           HG3      ARG  31   7.681  -0.373  -5.214
  237    HD2  ARG  31           HD2      ARG  31   7.280   1.348  -6.931
  238    HD3  ARG  31           HD3      ARG  31   8.651   1.691  -5.886
  239    HE   ARG  31           HE       ARG  31   9.762   0.440  -8.031
  240   HH11  ARG  31          HH11      ARG  31   7.596   3.173  -7.737
  241   HH12  ARG  31          HH12      ARG  31   8.295   4.035  -9.068
  242   HH21  ARG  31          HH21      ARG  31  10.671   1.563  -9.801
  243   HH22  ARG  31          HH22      ARG  31  10.042   3.116 -10.244
  244    H    CYS  32           H        CYS  32  10.077  -2.522  -3.357
  245    HA   CYS  32           HA       CYS  32  12.798  -3.562  -3.761
  246    HB2  CYS  32           HB2      CYS  32  13.671  -2.133  -2.032
  247    HB3  CYS  32           HB3      CYS  32  12.832  -1.145  -3.219
  248    H    GLU  33           H        GLU  33   9.866  -4.195  -2.373
  249    HA   GLU  33           HA       GLU  33   9.090  -5.700  -0.850
  250    HB2  GLU  33           HB2      GLU  33  11.808  -6.973  -1.192
  251    HB3  GLU  33           HB3      GLU  33  10.352  -7.764  -0.617
  252    HG2  GLU  33           HG2      GLU  33   9.313  -7.529  -2.774
  253    HG3  GLU  33           HG3      GLU  33  10.682  -6.590  -3.368
  254    H    SER  34           H        SER  34  10.035  -3.422   0.332
  255    HA   SER  34           HA       SER  34  11.917  -4.106   2.420
  256    HB2  SER  34           HB2      SER  34  12.379  -2.001   1.519
  257    HB3  SER  34           HB3      SER  34  10.677  -1.552   1.444
  258    HG   SER  34           HG       SER  34  12.471  -1.425   3.562
  259    H    GLY  35           H        GLY  35   8.651  -2.671   2.332
  260    HA2  GLY  35           HA2      GLY  35   6.940  -3.487   3.845
  261    HA3  GLY  35           HA3      GLY  35   8.222  -3.776   5.009
  262    H    PHE  36           H        PHE  36   9.519  -1.212   4.226
  263    HA   PHE  36           HA       PHE  36   8.221   0.514   6.085
  264    HB2  PHE  36           HB2      PHE  36  10.510   0.896   4.163
  265    HB3  PHE  36           HB3      PHE  36   9.904   2.207   5.163
  266    HD1  PHE  36           HD1      PHE  36  10.693  -1.394   5.778
  267    HD2  PHE  36           HD2      PHE  36  11.281   2.664   6.896
  268    HE1  PHE  36           HE1      PHE  36  12.157  -2.122   7.616
  269    HE2  PHE  36           HE2      PHE  36  12.742   1.948   8.741
  270    HZ   PHE  36           HZ       PHE  36  13.184  -0.447   9.102
  271    H    ILE  37           H        ILE  37   6.094   0.630   5.142
  272    HA   ILE  37           HA       ILE  37   5.925   2.610   2.988
  273    HB   ILE  37           HB       ILE  37   3.995   1.388   2.027
  274   HG12  ILE  37          HG12      ILE  37   4.807  -0.709   4.038
  275   HG13  ILE  37          HG13      ILE  37   3.244   0.052   3.856
  276   HG21  ILE  37          HG21      ILE  37   6.063   1.177   0.904
  277   HG22  ILE  37          HG22      ILE  37   5.375  -0.448   0.989
  278   HG23  ILE  37          HG23      ILE  37   6.670   0.022   2.091
  279   HD11  ILE  37          HD11      ILE  37   2.907  -1.089   1.742
  280   HD12  ILE  37          HD12      ILE  37   3.236  -2.239   3.036
  281   HD13  ILE  37          HD13      ILE  37   4.500  -1.831   1.877
  282    H    GLU  38           H        GLU  38   4.005   3.844   2.973
  283    HA   GLU  38           HA       GLU  38   2.652   3.900   5.582
  284    HB2  GLU  38           HB2      GLU  38   3.475   6.082   3.713
  285    HB3  GLU  38           HB3      GLU  38   2.185   6.340   4.886
  286    HG2  GLU  38           HG2      GLU  38   5.037   5.581   5.467
  287    HG3  GLU  38           HG3      GLU  38   4.260   7.128   5.781
  288    H    GLU  39           H        GLU  39   0.574   3.535   5.641
  289    HA   GLU  39           HA       GLU  39  -0.930   3.056   3.247
  290    HB2  GLU  39           HB2      GLU  39  -1.054   1.830   5.499
  291    HB3  GLU  39           HB3      GLU  39  -1.996   3.194   6.068
  292    HG2  GLU  39           HG2      GLU  39  -2.782   1.622   3.643
  293    HG3  GLU  39           HG3      GLU  39  -3.232   1.116   5.267
  294    H    LEU  40           H        LEU  40  -1.456   4.776   2.084
  295    HA   LEU  40           HA       LEU  40  -1.801   7.376   3.233
  296    HB2  LEU  40           HB2      LEU  40  -2.263   6.419   0.420
  297    HB3  LEU  40           HB3      LEU  40  -2.179   8.094   0.923
  298    HG   LEU  40           HG       LEU  40   0.100   6.120   1.060
  299   HD11  LEU  40          HD11      LEU  40  -0.425   6.629  -1.222
  300   HD12  LEU  40          HD12      LEU  40   1.054   7.469  -0.756
  301   HD13  LEU  40          HD13      LEU  40  -0.467   8.355  -0.864
  302   HD21  LEU  40          HD21      LEU  40   1.470   8.107   1.528
  303   HD22  LEU  40          HD22      LEU  40   0.275   7.810   2.791
  304   HD23  LEU  40          HD23      LEU  40   0.003   9.083   1.602
  Start of MODEL   16
    1    H1   GLY  -1           H1       GLY  -1  -9.710   5.548  10.104
    2    H2   GLY  -1           H2       GLY  -1 -10.358   5.797  11.644
    3    H3   GLY  -1           H3       GLY  -1 -11.324   5.157  10.414
    4    HA2  GLY  -1           HA3      GLY  -1  -8.954   3.829  11.601
    5    HA3  GLY  -1           HA2      GLY  -1 -10.628   3.438  11.973
    6    H    SER   0           H        SER   0  -8.331   1.943  10.662
    7    HA   SER   0           HA       SER   0  -8.940   1.570   7.932
    8    HB2  SER   0           HB2      SER   0  -7.602  -0.396   9.802
    9    HB3  SER   0           HB3      SER   0  -7.445  -0.326   8.048
   10    HG   SER   0           HG       SER   0  -6.426   1.694   8.277
   11    H    MET   1           H        MET   1  -9.780  -0.351  10.815
   12    HA   MET   1           HA       MET   1 -11.818  -1.716   9.183
   13    HB2  MET   1           HB2      MET   1 -10.243  -2.651  11.572
   14    HB3  MET   1           HB3      MET   1 -11.748  -3.429  11.112
   15    HG2  MET   1           HG2      MET   1  -9.960  -4.695  10.203
   16    HG3  MET   1           HG3      MET   1 -10.768  -3.871   8.874
   17    HE1  MET   1           HE1      MET   1  -8.164  -2.462  11.506
   18    HE2  MET   1           HE2      MET   1  -6.662  -2.655  10.604
   19    HE3  MET   1           HE3      MET   1  -7.570  -4.075  11.119
   20    H    ALA   2           H        ALA   2 -13.312  -0.018   9.489
   21    HA   ALA   2           HA       ALA   2 -14.886  -0.314  11.880
   22    HB1  ALA   2           HB1      ALA   2 -13.673   2.383  11.279
   23    HB2  ALA   2           HB2      ALA   2 -13.218   1.330  12.619
   24    HB3  ALA   2           HB3      ALA   2 -14.839   2.023  12.552
   25    H    GLU   3           H        GLU   3 -15.816  -1.092   9.640
   26    HA   GLU   3           HA       GLU   3 -17.610  -0.959   8.253
   27    HB2  GLU   3           HB2      GLU   3 -18.800   0.296   9.973
   28    HB3  GLU   3           HB3      GLU   3 -18.018   1.783   9.458
   29    HG2  GLU   3           HG2      GLU   3 -19.140   1.632   7.305
   30    HG3  GLU   3           HG3      GLU   3 -19.940   0.148   7.821
   31    H    ALA   4           H        ALA   4 -16.241   2.330   8.318
   32    HA   ALA   4           HA       ALA   4 -16.224   2.459   5.434
   33    HB1  ALA   4           HB1      ALA   4 -16.712   4.460   6.738
   34    HB2  ALA   4           HB2      ALA   4 -15.261   4.690   5.766
   35    HB3  ALA   4           HB3      ALA   4 -15.123   4.371   7.494
   36    H    SER   5           H        SER   5 -13.953   3.634   4.711
   37    HA   SER   5           HA       SER   5 -11.823   3.262   4.056
   38    HB2  SER   5           HB2      SER   5 -11.512   1.875   6.731
   39    HB3  SER   5           HB3      SER   5 -10.204   2.450   5.697
   40    HG   SER   5           HG       SER   5 -11.567   3.797   7.545
   41    HA   PRO   6           HA       PRO   6 -12.838  -0.885   2.514
   42    HB2  PRO   6           HB2      PRO   6 -12.096  -0.424  -0.037
   43    HB3  PRO   6           HB3      PRO   6 -13.657   0.097   0.606
   44    HG2  PRO   6           HG2      PRO   6 -11.159   1.679   0.181
   45    HG3  PRO   6           HG3      PRO   6 -12.843   2.135  -0.135
   46    HD2  PRO   6           HD2      PRO   6 -11.455   2.920   2.078
   47    HD3  PRO   6           HD3      PRO   6 -13.217   2.736   2.045
   48    H    HIS   7           H        HIS   7 -11.308  -2.045   0.591
   49    HA   HIS   7           HA       HIS   7  -9.090  -2.977   1.967
   50    HB2  HIS   7           HB2      HIS   7  -8.390  -4.025  -0.143
   51    HB3  HIS   7           HB3      HIS   7 -10.099  -4.248   0.154
   52    HD1  HIS   7           HD1      HIS   7 -11.748  -3.167  -1.512
   53    HD2  HIS   7           HD2      HIS   7  -7.748  -2.428  -2.374
   54    HE1  HIS   7           HE1      HIS   7 -11.722  -2.214  -3.835
   55    HE2  HIS   7           HE2      HIS   7  -9.287  -1.882  -4.380
   56    HA   PRO   8           HA       PRO   8  -6.140   0.334   1.436
   57    HB2  PRO   8           HB2      PRO   8  -4.159  -1.697   2.224
   58    HB3  PRO   8           HB3      PRO   8  -4.580  -0.177   3.018
   59    HG2  PRO   8           HG2      PRO   8  -5.261  -2.555   4.064
   60    HG3  PRO   8           HG3      PRO   8  -6.304  -1.129   4.219
   61    HD2  PRO   8           HD2      PRO   8  -6.545  -3.461   2.356
   62    HD3  PRO   8           HD3      PRO   8  -7.810  -2.593   3.253
   63    H    GLY   9           H        GLY   9  -4.828   0.946  -0.225
   64    HA2  GLY   9           HA2      GLY   9  -3.606  -1.101  -1.905
   65    HA3  GLY   9           HA3      GLY   9  -4.801  -0.064  -2.668
   66    H    ARG  10           H        ARG  10  -4.326   2.359  -1.724
   67    HA   ARG  10           HA       ARG  10  -1.854   3.107  -2.936
   68    HB2  ARG  10           HB2      ARG  10  -2.513   5.416  -2.155
   69    HB3  ARG  10           HB3      ARG  10  -3.660   4.620  -3.219
   70    HG2  ARG  10           HG2      ARG  10  -5.200   4.294  -1.543
   71    HG3  ARG  10           HG3      ARG  10  -3.994   4.418  -0.262
   72    HD2  ARG  10           HD2      ARG  10  -4.832   6.489  -0.024
   73    HD3  ARG  10           HD3      ARG  10  -3.785   6.846  -1.393
   74    HE   ARG  10           HE       ARG  10  -6.019   6.165  -2.654
   75   HH11  ARG  10          HH11      ARG  10  -5.517   8.193   0.146
   76   HH12  ARG  10          HH12      ARG  10  -6.836   9.261  -0.217
   77   HH21  ARG  10          HH21      ARG  10  -7.794   7.560  -3.138
   78   HH22  ARG  10          HH22      ARG  10  -8.137   8.893  -2.081
   79    H    TYR  11           H        TYR  11  -0.028   2.629  -1.918
   80    HA   TYR  11           HA       TYR  11   0.272   3.582   0.855
   81    HB2  TYR  11           HB2      TYR  11   1.284   1.100  -0.460
   82    HB3  TYR  11           HB3      TYR  11   2.297   1.880   0.744
   83    HD1  TYR  11           HD2      TYR  11  -1.219   0.672   0.301
   84    HD2  TYR  11           HD1      TYR  11   2.054   1.309   2.944
   85    HE1  TYR  11           HE2      TYR  11  -2.462  -0.442   2.114
   86    HE2  TYR  11           HE1      TYR  11   0.832   0.203   4.752
   87    HH   TYR  11           HH       TYR  11  -1.989  -1.616   4.237
   88    H    PHE  12           H        PHE  12   2.560   4.153   1.364
   89    HA   PHE  12           HA       PHE  12   4.000   5.123  -1.001
   90    HB2  PHE  12           HB2      PHE  12   2.690   6.897   0.315
   91    HB3  PHE  12           HB3      PHE  12   3.897   6.670   1.579
   92    HD1  PHE  12           HD1      PHE  12   3.257   7.850  -1.800
   93    HD2  PHE  12           HD2      PHE  12   6.156   7.434   1.282
   94    HE1  PHE  12           HE1      PHE  12   4.748   9.404  -2.999
   95    HE2  PHE  12           HE2      PHE  12   7.662   8.989   0.089
   96    HZ   PHE  12           HZ       PHE  12   6.948   9.977  -2.051
   97    H    CYS  13           H        CYS  13   5.832   4.027  -1.076
   98    HA   CYS  13           HA       CYS  13   6.950   2.786   1.262
   99    HB2  CYS  13           HB2      CYS  13   7.111   1.579  -0.804
  100    HB3  CYS  13           HB3      CYS  13   7.869   2.945  -1.608
  101    H    HIS  14           H        HIS  14   8.660   3.401   2.445
  102    HA   HIS  14           HA       HIS  14   9.637   6.105   2.100
  103    HB2  HIS  14           HB2      HIS  14   9.746   4.045   4.236
  104    HB3  HIS  14           HB3      HIS  14  11.069   5.210   4.187
  105    HD1  HIS  14           HD1      HIS  14  10.651   7.151   5.626
  106    HD2  HIS  14           HD2      HIS  14   7.122   5.609   4.066
  107    HE1  HIS  14           HE1      HIS  14   8.813   8.582   6.573
  108    HE2  HIS  14           HE2      HIS  14   6.716   7.769   5.430
  109    H    CYS  15           H        CYS  15  10.724   2.882   1.491
  110    HA   CYS  15           HA       CYS  15  13.508   3.529   1.289
  111    HB2  CYS  15           HB2      CYS  15  12.567   1.250   1.811
  112    HB3  CYS  15           HB3      CYS  15  12.061   1.141   0.133
  113    HG   CYS  15           HG       CYS  15  15.334   1.717   0.839
  114    H    CYS  16           H        CYS  16  10.804   3.224  -0.928
  115    HA   CYS  16           HA       CYS  16  12.520   3.902  -3.204
  116    HB2  CYS  16           HB2      CYS  16   9.584   3.183  -3.132
  117    HB3  CYS  16           HB3      CYS  16  10.523   3.476  -4.581
  118    H    SER  17           H        SER  17  10.498   5.340  -0.961
  119    HA   SER  17           HA       SER  17   9.324   7.238  -0.712
  120    HB2  SER  17           HB2      SER  17  10.409   9.317  -1.582
  121    HB3  SER  17           HB3      SER  17  11.478   8.270  -0.654
  122    HG   SER  17           HG       SER  17  11.564   7.620  -3.275
  123    H    VAL  18           H        VAL  18   8.192   5.608  -2.602
  124    HA   VAL  18           HA       VAL  18   6.849   7.580  -4.302
  125    HB   VAL  18           HB       VAL  18   6.738   6.053  -6.189
  126   HG11  VAL  18          HG11      VAL  18   9.590   6.400  -5.284
  127   HG12  VAL  18          HG12      VAL  18   8.613   7.623  -6.099
  128   HG13  VAL  18          HG13      VAL  18   9.044   6.134  -6.941
  129   HG21  VAL  18          HG21      VAL  18   8.068   3.990  -6.235
  130   HG22  VAL  18          HG22      VAL  18   6.803   3.946  -5.007
  131   HG23  VAL  18          HG23      VAL  18   8.478   4.234  -4.538
  132    H    GLU  19           H        GLU  19   4.797   6.726  -5.163
  133    HA   GLU  19           HA       GLU  19   3.320   5.443  -3.034
  134    HB2  GLU  19           HB2      GLU  19   2.502   7.452  -4.293
  135    HB3  GLU  19           HB3      GLU  19   2.341   6.437  -5.718
  136    HG2  GLU  19           HG2      GLU  19   0.984   5.339  -3.399
  137    HG3  GLU  19           HG3      GLU  19   0.401   6.941  -3.840
  138    H    ILE  20           H        ILE  20   2.509   3.417  -3.045
  139    HA   ILE  20           HA       ILE  20   2.970   1.712  -5.402
  140    HB   ILE  20           HB       ILE  20   3.924  -0.047  -3.933
  141   HG12  ILE  20          HG12      ILE  20   4.736   1.790  -1.829
  142   HG13  ILE  20          HG13      ILE  20   2.995   1.565  -1.888
  143   HG21  ILE  20          HG21      ILE  20   5.476   2.532  -3.976
  144   HG22  ILE  20          HG22      ILE  20   5.410   1.330  -5.265
  145   HG23  ILE  20          HG23      ILE  20   6.158   0.926  -3.720
  146   HD11  ILE  20          HD11      ILE  20   3.952  -0.000  -0.356
  147   HD12  ILE  20          HD12      ILE  20   5.087  -0.571  -1.580
  148   HD13  ILE  20          HD13      ILE  20   3.359  -0.874  -1.769
  149    H    VAL  21           H        VAL  21   1.983  -0.402  -5.190
  150    HA   VAL  21           HA       VAL  21  -0.192  -0.546  -3.218
  151    HB   VAL  21           HB       VAL  21  -1.206  -0.484  -5.371
  152   HG11  VAL  21          HG11      VAL  21   0.718  -2.628  -6.243
  153   HG12  VAL  21          HG12      VAL  21   0.777  -0.929  -6.710
  154   HG13  VAL  21          HG13      VAL  21  -0.580  -1.939  -7.219
  155   HG21  VAL  21          HG21      VAL  21  -2.178  -2.137  -3.905
  156   HG22  VAL  21          HG22      VAL  21  -1.024  -3.348  -4.460
  157   HG23  VAL  21          HG23      VAL  21  -2.237  -2.713  -5.571
  158    HA   PRO  22           HA       PRO  22   2.825  -3.419  -1.644
  159    HB2  PRO  22           HB2      PRO  22   0.798  -3.968   0.418
  160    HB3  PRO  22           HB3      PRO  22   2.434  -3.333   0.588
  161    HG2  PRO  22           HG2      PRO  22   0.301  -1.777   0.941
  162    HG3  PRO  22           HG3      PRO  22   1.778  -1.162   0.179
  163    HD2  PRO  22           HD2      PRO  22  -0.786  -2.036  -1.097
  164    HD3  PRO  22           HD3      PRO  22   0.231  -0.625  -1.459
  165    H    ARG  23           H        ARG  23   3.206  -5.558  -1.646
  166    HA   ARG  23           HA       ARG  23   1.234  -7.362  -2.698
  167    HB2  ARG  23           HB2      ARG  23   4.003  -7.830  -1.563
  168    HB3  ARG  23           HB3      ARG  23   3.028  -9.065  -2.344
  169    HG2  ARG  23           HG2      ARG  23   3.073  -7.809  -4.426
  170    HG3  ARG  23           HG3      ARG  23   4.001  -6.530  -3.646
  171    HD2  ARG  23           HD2      ARG  23   5.817  -8.128  -3.232
  172    HD3  ARG  23           HD3      ARG  23   4.887  -9.385  -4.045
  173    HE   ARG  23           HE       ARG  23   5.040  -7.354  -5.866
  174   HH11  ARG  23          HH11      ARG  23   7.389  -9.269  -4.107
  175   HH12  ARG  23          HH12      ARG  23   8.603  -9.131  -5.340
  176   HH21  ARG  23          HH21      ARG  23   6.619  -7.173  -7.474
  177   HH22  ARG  23          HH22      ARG  23   8.166  -7.931  -7.260
  178    H    LEU  24           H        LEU  24  -0.419  -7.879  -1.374
  179    HA   LEU  24           HA       LEU  24  -0.436  -7.148   1.288
  180    HB2  LEU  24           HB2      LEU  24  -2.269  -8.166  -0.614
  181    HB3  LEU  24           HB3      LEU  24  -2.498  -9.004   0.899
  182    HG   LEU  24           HG       LEU  24  -3.938  -7.027   0.696
  183   HD11  LEU  24          HD11      LEU  24  -1.841  -6.779   2.836
  184   HD12  LEU  24          HD12      LEU  24  -3.276  -7.800   2.906
  185   HD13  LEU  24          HD13      LEU  24  -3.443  -6.045   2.867
  186   HD21  LEU  24          HD21      LEU  24  -1.370  -5.457   0.751
  187   HD22  LEU  24          HD22      LEU  24  -3.008  -4.798   0.745
  188   HD23  LEU  24          HD23      LEU  24  -2.403  -5.670  -0.663
  189    HA   PRO  25           HA       PRO  25  -0.271 -11.971   2.425
  190    HB2  PRO  25           HB2      PRO  25   1.885 -12.578   0.456
  191    HB3  PRO  25           HB3      PRO  25   0.622 -13.635   1.093
  192    HG2  PRO  25           HG2      PRO  25   0.400 -12.652  -1.343
  193    HG3  PRO  25           HG3      PRO  25  -1.017 -12.685  -0.273
  194    HD2  PRO  25           HD2      PRO  25   0.749 -10.385  -1.006
  195    HD3  PRO  25           HD3      PRO  25  -1.008 -10.439  -0.803
  196    H    ASP  26           H        ASP  26   2.496 -10.091   1.251
  197    HA   ASP  26           HA       ASP  26   3.944 -10.755   3.730
  198    HB2  ASP  26           HB2      ASP  26   4.904  -9.676   1.082
  199    HB3  ASP  26           HB3      ASP  26   5.917  -9.695   2.519
  200    H    TYR  27           H        TYR  27   2.168  -8.389   2.210
  201    HA   TYR  27           HA       TYR  27   1.683  -6.217   2.515
  202    HB2  TYR  27           HB2      TYR  27   1.792  -7.348   5.047
  203    HB3  TYR  27           HB3      TYR  27   2.765  -5.889   5.199
  204    HD1  TYR  27           HD1      TYR  27   0.990  -4.507   2.902
  205    HD2  TYR  27           HD2      TYR  27   0.166  -6.386   6.632
  206    HE1  TYR  27           HE1      TYR  27  -1.063  -3.178   3.113
  207    HE2  TYR  27           HE2      TYR  27  -1.892  -5.059   6.848
  208    HH   TYR  27           HH       TYR  27  -2.824  -2.938   6.001
  209    H    ILE  28           H        ILE  28   4.100  -6.660   1.233
  210    HA   ILE  28           HA       ILE  28   5.841  -4.577   2.365
  211    HB   ILE  28           HB       ILE  28   7.673  -5.657   1.032
  212   HG12  ILE  28          HG12      ILE  28   5.633  -7.875   0.793
  213   HG13  ILE  28          HG13      ILE  28   6.278  -6.917  -0.532
  214   HG21  ILE  28          HG21      ILE  28   8.074  -7.424   2.662
  215   HG22  ILE  28          HG22      ILE  28   6.392  -7.327   3.186
  216   HG23  ILE  28          HG23      ILE  28   7.475  -5.957   3.436
  217   HD11  ILE  28          HD11      ILE  28   8.493  -7.839  -0.112
  218   HD12  ILE  28          HD12      ILE  28   7.314  -9.105  -0.441
  219   HD13  ILE  28          HD13      ILE  28   7.843  -8.800   1.212
  220    H    CYS  29           H        CYS  29   7.494  -4.174   0.288
  221    HA   CYS  29           HA       CYS  29   5.866  -2.512  -1.445
  222    HB2  CYS  29           HB2      CYS  29   7.914  -1.686  -0.284
  223    HB3  CYS  29           HB3      CYS  29   8.864  -2.837  -1.195
  224    HA   PRO  30           HA       PRO  30   6.328  -5.434  -4.788
  225    HB2  PRO  30           HB2      PRO  30   5.372  -3.945  -6.807
  226    HB3  PRO  30           HB3      PRO  30   4.315  -4.533  -5.519
  227    HG2  PRO  30           HG2      PRO  30   5.462  -1.815  -5.942
  228    HG3  PRO  30           HG3      PRO  30   3.870  -2.276  -5.320
  229    HD2  PRO  30           HD2      PRO  30   6.054  -1.504  -3.781
  230    HD3  PRO  30           HD3      PRO  30   4.633  -2.391  -3.181
  231    H    ARG  31           H        ARG  31   8.024  -2.584  -4.373
  232    HA   ARG  31           HA       ARG  31   9.635  -2.901  -6.787
  233    HB2  ARG  31           HB2      ARG  31  10.019  -0.673  -4.850
  234    HB3  ARG  31           HB3      ARG  31  10.186  -0.673  -6.594
  235    HG2  ARG  31           HG2      ARG  31   7.682  -0.916  -6.688
  236    HG3  ARG  31           HG3      ARG  31   7.675  -0.583  -4.969
  237    HD2  ARG  31           HD2      ARG  31   7.255   1.410  -6.357
  238    HD3  ARG  31           HD3      ARG  31   8.659   1.558  -5.310
  239    HE   ARG  31           HE       ARG  31   9.990   0.984  -7.366
  240   HH11  ARG  31          HH11      ARG  31   6.829   2.465  -7.638
  241   HH12  ARG  31          HH12      ARG  31   7.224   3.327  -9.087
  242   HH21  ARG  31          HH21      ARG  31  10.501   2.103  -9.284
  243   HH22  ARG  31          HH22      ARG  31   9.308   3.120 -10.028
  244    H    CYS  32           H        CYS  32  10.008  -2.585  -3.231
  245    HA   CYS  32           HA       CYS  32  12.741  -3.608  -3.608
  246    HB2  CYS  32           HB2      CYS  32  13.537  -2.215  -1.801
  247    HB3  CYS  32           HB3      CYS  32  12.741  -1.215  -3.008
  248    H    GLU  33           H        GLU  33   9.777  -4.238  -2.210
  249    HA   GLU  33           HA       GLU  33   8.998  -5.768  -0.722
  250    HB2  GLU  33           HB2      GLU  33  11.688  -6.997  -1.332
  251    HB3  GLU  33           HB3      GLU  33  10.426  -7.810  -0.422
  252    HG2  GLU  33           HG2      GLU  33   8.932  -7.612  -2.371
  253    HG3  GLU  33           HG3      GLU  33  10.255  -6.878  -3.276
  254    H    SER  34           H        SER  34  10.119  -3.495   0.449
  255    HA   SER  34           HA       SER  34  11.886  -4.328   2.576
  256    HB2  SER  34           HB2      SER  34  12.493  -2.240   1.724
  257    HB3  SER  34           HB3      SER  34  10.822  -1.689   1.621
  258    HG   SER  34           HG       SER  34  12.573  -1.712   3.783
  259    H    GLY  35           H        GLY  35   8.714  -2.689   2.452
  260    HA2  GLY  35           HA2      GLY  35   6.935  -3.500   3.922
  261    HA3  GLY  35           HA3      GLY  35   8.188  -3.784   5.119
  262    H    PHE  36           H        PHE  36   9.526  -1.244   4.291
  263    HA   PHE  36           HA       PHE  36   8.241   0.566   6.064
  264    HB2  PHE  36           HB2      PHE  36  10.538   0.763   4.148
  265    HB3  PHE  36           HB3      PHE  36   9.905   2.210   4.920
  266    HD1  PHE  36           HD1      PHE  36  11.555  -1.027   5.520
  267    HD2  PHE  36           HD2      PHE  36  10.306   2.678   7.177
  268    HE1  PHE  36           HE1      PHE  36  12.922  -1.468   7.518
  269    HE2  PHE  36           HE2      PHE  36  11.668   2.249   9.186
  270    HZ   PHE  36           HZ       PHE  36  12.979   0.172   9.355
  271    H    ILE  37           H        ILE  37   6.092   0.678   5.185
  272    HA   ILE  37           HA       ILE  37   5.884   2.597   2.982
  273    HB   ILE  37           HB       ILE  37   3.925   1.378   2.093
  274   HG12  ILE  37          HG12      ILE  37   4.740  -0.659   4.158
  275   HG13  ILE  37          HG13      ILE  37   3.176   0.093   3.949
  276   HG21  ILE  37          HG21      ILE  37   5.985   1.118   0.954
  277   HG22  ILE  37          HG22      ILE  37   5.238  -0.479   1.050
  278   HG23  ILE  37          HG23      ILE  37   6.563  -0.056   2.136
  279   HD11  ILE  37          HD11      ILE  37   2.858  -1.125   1.868
  280   HD12  ILE  37          HD12      ILE  37   3.147  -2.217   3.221
  281   HD13  ILE  37          HD13      ILE  37   4.438  -1.882   2.066
  282    H    GLU  38           H        GLU  38   4.011   3.886   3.010
  283    HA   GLU  38           HA       GLU  38   2.638   3.925   5.610
  284    HB2  GLU  38           HB2      GLU  38   3.355   6.192   3.764
  285    HB3  GLU  38           HB3      GLU  38   2.290   6.371   5.155
  286    HG2  GLU  38           HG2      GLU  38   4.188   5.468   6.552
  287    HG3  GLU  38           HG3      GLU  38   5.204   5.662   5.126
  288    H    GLU  39           H        GLU  39   0.525   3.677   5.641
  289    HA   GLU  39           HA       GLU  39  -0.920   3.254   3.192
  290    HB2  GLU  39           HB2      GLU  39  -1.146   1.949   5.381
  291    HB3  GLU  39           HB3      GLU  39  -2.029   3.330   5.999
  292    HG2  GLU  39           HG2      GLU  39  -2.882   1.942   3.492
  293    HG3  GLU  39           HG3      GLU  39  -3.333   1.326   5.077
  294    H    LEU  40           H        LEU  40  -1.801   4.845   2.078
  295    HA   LEU  40           HA       LEU  40  -1.884   7.503   3.179
  296    HB2  LEU  40           HB2      LEU  40  -2.632   6.484   0.451
  297    HB3  LEU  40           HB3      LEU  40  -2.524   8.174   0.897
  298    HG   LEU  40           HG       LEU  40  -0.221   6.217   0.844
  299   HD11  LEU  40          HD11      LEU  40  -0.942   8.487  -0.991
  300   HD12  LEU  40          HD12      LEU  40  -0.956   6.767  -1.378
  301   HD13  LEU  40          HD13      LEU  40   0.569   7.579  -1.032
  302   HD21  LEU  40          HD21      LEU  40  -0.296   9.168   1.450
  303   HD22  LEU  40          HD22      LEU  40   1.170   8.219   1.206
  304   HD23  LEU  40          HD23      LEU  40   0.113   7.872   2.575
  Start of MODEL   17
    1    H1   GLY  -1           H1       GLY  -1 -10.701   2.191  14.772
    2    H2   GLY  -1           H2       GLY  -1 -12.330   1.927  15.127
    3    H3   GLY  -1           H3       GLY  -1 -11.784   3.485  14.774
    4    HA2  GLY  -1           HA3      GLY  -1 -11.254   2.830  12.519
    5    HA3  GLY  -1           HA2      GLY  -1 -11.806   1.202  12.883
    6    H    SER   0           H        SER   0 -12.685   3.863  11.298
    7    HA   SER   0           HA       SER   0 -15.540   3.506  11.921
    8    HB2  SER   0           HB2      SER   0 -14.128   6.011  10.971
    9    HB3  SER   0           HB3      SER   0 -15.872   5.852  11.193
   10    HG   SER   0           HG       SER   0 -15.485   5.435  13.403
   11    H    MET   1           H        MET   1 -15.860   1.908  10.383
   12    HA   MET   1           HA       MET   1 -15.642   2.811   7.590
   13    HB2  MET   1           HB2      MET   1 -15.470  -0.032   8.608
   14    HB3  MET   1           HB3      MET   1 -15.427   0.450   6.922
   15    HG2  MET   1           HG2      MET   1 -13.207   0.058   7.441
   16    HG3  MET   1           HG3      MET   1 -13.356   1.809   7.555
   17    HE1  MET   1           HE1      MET   1 -13.106  -1.560   9.486
   18    HE2  MET   1           HE2      MET   1 -14.580  -0.907  10.200
   19    HE3  MET   1           HE3      MET   1 -13.117  -1.049  11.172
   20    H    ALA   2           H        ALA   2 -17.521   2.969   6.533
   21    HA   ALA   2           HA       ALA   2 -19.778   1.309   7.390
   22    HB1  ALA   2           HB1      ALA   2 -19.984   4.297   7.046
   23    HB2  ALA   2           HB2      ALA   2 -19.978   3.447   8.591
   24    HB3  ALA   2           HB3      ALA   2 -21.298   3.192   7.450
   25    H    GLU   3           H        GLU   3 -18.036   1.221   5.097
   26    HA   GLU   3           HA       GLU   3 -19.788   2.056   2.921
   27    HB2  GLU   3           HB2      GLU   3 -16.940   1.064   2.949
   28    HB3  GLU   3           HB3      GLU   3 -17.853   1.285   1.467
   29    HG2  GLU   3           HG2      GLU   3 -16.451   3.181   1.808
   30    HG3  GLU   3           HG3      GLU   3 -18.125   3.672   2.033
   31    H    ALA   4           H        ALA   4 -17.651  -0.732   2.978
   32    HA   ALA   4           HA       ALA   4 -19.787  -2.638   3.243
   33    HB1  ALA   4           HB1      ALA   4 -20.038  -2.022   0.880
   34    HB2  ALA   4           HB2      ALA   4 -19.494  -3.691   1.061
   35    HB3  ALA   4           HB3      ALA   4 -18.348  -2.434   0.597
   36    H    SER   5           H        SER   5 -16.497  -2.187   2.007
   37    HA   SER   5           HA       SER   5 -15.294  -3.653   4.106
   38    HB2  SER   5           HB2      SER   5 -16.288  -5.536   2.757
   39    HB3  SER   5           HB3      SER   5 -15.267  -5.041   1.409
   40    HG   SER   5           HG       SER   5 -13.932  -5.404   3.802
   41    HA   PRO   6           HA       PRO   6 -12.820  -0.479   1.724
   42    HB2  PRO   6           HB2      PRO   6 -11.882   0.043   4.488
   43    HB3  PRO   6           HB3      PRO   6 -12.420   1.181   3.248
   44    HG2  PRO   6           HG2      PRO   6 -13.958   0.617   5.352
   45    HG3  PRO   6           HG3      PRO   6 -14.661   0.863   3.741
   46    HD2  PRO   6           HD2      PRO   6 -14.145  -1.690   5.218
   47    HD3  PRO   6           HD3      PRO   6 -15.533  -1.232   4.208
   48    H    HIS   7           H        HIS   7 -10.807  -0.840   0.982
   49    HA   HIS   7           HA       HIS   7  -9.039  -2.565   2.555
   50    HB2  HIS   7           HB2      HIS   7  -8.403  -3.816   0.537
   51    HB3  HIS   7           HB3      HIS   7 -10.094  -4.025   0.928
   52    HD1  HIS   7           HD1      HIS   7  -7.848  -3.015  -1.770
   53    HD2  HIS   7           HD2      HIS   7 -11.868  -2.555  -0.833
   54    HE1  HIS   7           HE1      HIS   7  -8.964  -2.316  -3.911
   55    HE2  HIS   7           HE2      HIS   7 -11.419  -2.200  -3.353
   56    HA   PRO   8           HA       PRO   8  -6.205   0.733   1.557
   57    HB2  PRO   8           HB2      PRO   8  -4.155  -1.026   2.687
   58    HB3  PRO   8           HB3      PRO   8  -4.716   0.545   3.263
   59    HG2  PRO   8           HG2      PRO   8  -5.252  -1.755   4.570
   60    HG3  PRO   8           HG3      PRO   8  -6.368  -0.377   4.567
   61    HD2  PRO   8           HD2      PRO   8  -6.475  -2.912   2.979
   62    HD3  PRO   8           HD3      PRO   8  -7.791  -2.007   3.759
   63    H    GLY   9           H        GLY   9  -4.984   1.114  -0.202
   64    HA2  GLY   9           HA2      GLY   9  -3.628  -1.143  -1.487
   65    HA3  GLY   9           HA3      GLY   9  -4.775  -0.208  -2.435
   66    H    ARG  10           H        ARG  10  -4.252   2.321  -1.488
   67    HA   ARG  10           HA       ARG  10  -1.798   2.931  -2.839
   68    HB2  ARG  10           HB2      ARG  10  -2.396   5.296  -2.234
   69    HB3  ARG  10           HB3      ARG  10  -3.612   4.444  -3.174
   70    HG2  ARG  10           HG2      ARG  10  -5.058   4.263  -1.385
   71    HG3  ARG  10           HG3      ARG  10  -3.785   4.511  -0.193
   72    HD2  ARG  10           HD2      ARG  10  -4.488   6.625  -0.111
   73    HD3  ARG  10           HD3      ARG  10  -3.738   6.820  -1.691
   74    HE   ARG  10           HE       ARG  10  -5.974   6.209  -2.623
   75   HH11  ARG  10          HH11      ARG  10  -5.687   7.532   0.610
   76   HH12  ARG  10          HH12      ARG  10  -7.259   8.276   0.575
   77   HH21  ARG  10          HH21      ARG  10  -8.040   7.172  -2.662
   78   HH22  ARG  10          HH22      ARG  10  -8.598   8.072  -1.290
   79    H    TYR  11           H        TYR  11   0.069   2.647  -1.861
   80    HA   TYR  11           HA       TYR  11   0.358   3.648   0.895
   81    HB2  TYR  11           HB2      TYR  11   1.439   1.176  -0.391
   82    HB3  TYR  11           HB3      TYR  11   2.395   1.982   0.845
   83    HD1  TYR  11           HD1      TYR  11  -1.104   0.745   0.314
   84    HD2  TYR  11           HD2      TYR  11   2.131   1.325   3.013
   85    HE1  TYR  11           HE1      TYR  11  -2.353  -0.444   2.069
   86    HE2  TYR  11           HE2      TYR  11   0.902   0.145   4.769
   87    HH   TYR  11           HH       TYR  11  -1.825  -1.732   4.153
   88    H    PHE  12           H        PHE  12   2.598   4.341   1.381
   89    HA   PHE  12           HA       PHE  12   4.053   5.215  -1.018
   90    HB2  PHE  12           HB2      PHE  12   2.731   7.026   0.256
   91    HB3  PHE  12           HB3      PHE  12   3.968   6.864   1.496
   92    HD1  PHE  12           HD2      PHE  12   3.279   7.833  -1.957
   93    HD2  PHE  12           HD1      PHE  12   6.178   7.704   1.149
   94    HE1  PHE  12           HE2      PHE  12   4.721   9.360  -3.245
   95    HE2  PHE  12           HE1      PHE  12   7.636   9.225  -0.136
   96    HZ   PHE  12           HZ       PHE  12   6.898  10.060  -2.333
   97    H    CYS  13           H        CYS  13   5.887   4.140  -1.049
   98    HA   CYS  13           HA       CYS  13   6.946   2.897   1.305
   99    HB2  CYS  13           HB2      CYS  13   7.114   1.698  -0.764
  100    HB3  CYS  13           HB3      CYS  13   7.925   3.048  -1.543
  101    H    HIS  14           H        HIS  14   8.542   3.544   2.588
  102    HA   HIS  14           HA       HIS  14   9.646   6.196   2.245
  103    HB2  HIS  14           HB2      HIS  14   9.691   4.118   4.397
  104    HB3  HIS  14           HB3      HIS  14  10.916   5.383   4.414
  105    HD1  HIS  14           HD1      HIS  14  10.115   6.756   6.354
  106    HD2  HIS  14           HD2      HIS  14   7.107   5.979   3.596
  107    HE1  HIS  14           HE1      HIS  14   8.167   8.175   7.062
  108    HE2  HIS  14           HE2      HIS  14   6.403   7.794   5.300
  109    H    CYS  15           H        CYS  15  10.515   3.019   1.467
  110    HA   CYS  15           HA       CYS  15  13.371   3.482   1.445
  111    HB2  CYS  15           HB2      CYS  15  11.721   1.143   0.465
  112    HB3  CYS  15           HB3      CYS  15  13.470   1.156   0.610
  113    HG   CYS  15           HG       CYS  15  12.860  -0.280   2.770
  114    H    CYS  16           H        CYS  16  10.698   3.449  -0.807
  115    HA   CYS  16           HA       CYS  16  12.543   3.935  -3.048
  116    HB2  CYS  16           HB2      CYS  16   9.602   3.236  -3.074
  117    HB3  CYS  16           HB3      CYS  16  10.580   3.534  -4.502
  118    H    SER  17           H        SER  17  10.443   5.465  -0.939
  119    HA   SER  17           HA       SER  17   9.290   7.386  -0.810
  120    HB2  SER  17           HB2      SER  17  10.416   9.411  -1.696
  121    HB3  SER  17           HB3      SER  17  11.486   8.370  -0.766
  122    HG   SER  17           HG       SER  17  11.606   7.618  -3.320
  123    H    VAL  18           H        VAL  18   8.226   5.660  -2.669
  124    HA   VAL  18           HA       VAL  18   6.930   7.572  -4.474
  125    HB   VAL  18           HB       VAL  18   6.798   5.942  -6.276
  126   HG11  VAL  18          HG11      VAL  18   9.150   5.883  -6.971
  127   HG12  VAL  18          HG12      VAL  18   9.630   6.356  -5.340
  128   HG13  VAL  18          HG13      VAL  18   8.676   7.458  -6.336
  129   HG21  VAL  18          HG21      VAL  18   8.054   3.849  -6.214
  130   HG22  VAL  18          HG22      VAL  18   6.826   3.906  -4.950
  131   HG23  VAL  18          HG23      VAL  18   8.519   4.178  -4.547
  132    H    GLU  19           H        GLU  19   4.863   6.739  -5.302
  133    HA   GLU  19           HA       GLU  19   3.360   5.598  -3.103
  134    HB2  GLU  19           HB2      GLU  19   2.741   7.585  -4.754
  135    HB3  GLU  19           HB3      GLU  19   2.112   6.272  -5.733
  136    HG2  GLU  19           HG2      GLU  19   0.810   5.573  -3.707
  137    HG3  GLU  19           HG3      GLU  19   1.297   7.087  -2.970
  138    H    ILE  20           H        ILE  20   2.636   3.545  -3.025
  139    HA   ILE  20           HA       ILE  20   3.045   1.832  -5.389
  140    HB   ILE  20           HB       ILE  20   3.991   0.074  -3.894
  141   HG12  ILE  20          HG12      ILE  20   4.813   1.990  -1.844
  142   HG13  ILE  20          HG13      ILE  20   3.082   1.682  -1.864
  143   HG21  ILE  20          HG21      ILE  20   5.474   1.398  -5.275
  144   HG22  ILE  20          HG22      ILE  20   6.236   1.039  -3.725
  145   HG23  ILE  20          HG23      ILE  20   5.559   2.640  -4.027
  146   HD11  ILE  20          HD11      ILE  20   3.566  -0.735  -1.716
  147   HD12  ILE  20          HD12      ILE  20   4.138   0.190  -0.330
  148   HD13  ILE  20          HD13      ILE  20   5.279  -0.345  -1.563
  149    H    VAL  21           H        VAL  21   2.074  -0.277  -5.186
  150    HA   VAL  21           HA       VAL  21  -0.076  -0.458  -3.188
  151    HB   VAL  21           HB       VAL  21  -1.144  -0.404  -5.309
  152   HG11  VAL  21          HG11      VAL  21   0.813  -0.770  -6.704
  153   HG12  VAL  21          HG12      VAL  21  -0.514  -1.826  -7.190
  154   HG13  VAL  21          HG13      VAL  21   0.831  -2.474  -6.250
  155   HG21  VAL  21          HG21      VAL  21  -1.990  -2.136  -3.815
  156   HG22  VAL  21          HG22      VAL  21  -0.861  -3.299  -4.513
  157   HG23  VAL  21          HG23      VAL  21  -2.153  -2.621  -5.502
  158    HA   PRO  22           HA       PRO  22   2.977  -3.314  -1.632
  159    HB2  PRO  22           HB2      PRO  22   0.887  -3.896   0.367
  160    HB3  PRO  22           HB3      PRO  22   2.530  -3.312   0.599
  161    HG2  PRO  22           HG2      PRO  22   0.441  -1.706   0.942
  162    HG3  PRO  22           HG3      PRO  22   1.947  -1.114   0.216
  163    HD2  PRO  22           HD2      PRO  22  -0.621  -1.881  -1.112
  164    HD3  PRO  22           HD3      PRO  22   0.450  -0.505  -1.443
  165    H    ARG  23           H        ARG  23   3.363  -5.473  -1.575
  166    HA   ARG  23           HA       ARG  23   1.459  -7.281  -2.737
  167    HB2  ARG  23           HB2      ARG  23   4.133  -7.760  -1.393
  168    HB3  ARG  23           HB3      ARG  23   3.183  -9.017  -2.169
  169    HG2  ARG  23           HG2      ARG  23   3.383  -7.865  -4.303
  170    HG3  ARG  23           HG3      ARG  23   4.308  -6.578  -3.532
  171    HD2  ARG  23           HD2      ARG  23   6.048  -8.167  -2.939
  172    HD3  ARG  23           HD3      ARG  23   5.110  -9.480  -3.648
  173    HE   ARG  23           HE       ARG  23   5.474  -7.538  -5.615
  174   HH11  ARG  23          HH11      ARG  23   7.404  -9.793  -3.755
  175   HH12  ARG  23          HH12      ARG  23   8.610  -9.969  -4.987
  176   HH21  ARG  23          HH21      ARG  23   7.058  -7.777  -7.240
  177   HH22  ARG  23          HH22      ARG  23   8.416  -8.826  -6.972
  178    H    LEU  24           H        LEU  24  -0.291  -7.776  -1.562
  179    HA   LEU  24           HA       LEU  24  -0.529  -6.960   1.070
  180    HB2  LEU  24           HB2      LEU  24  -2.210  -7.881  -0.965
  181    HB3  LEU  24           HB3      LEU  24  -2.561  -8.836   0.455
  182    HG   LEU  24           HG       LEU  24  -3.975  -6.815   0.243
  183   HD11  LEU  24          HD11      LEU  24  -3.615  -7.836   2.419
  184   HD12  LEU  24          HD12      LEU  24  -3.746  -6.084   2.555
  185   HD13  LEU  24          HD13      LEU  24  -2.164  -6.859   2.642
  186   HD21  LEU  24          HD21      LEU  24  -3.058  -4.630   0.607
  187   HD22  LEU  24          HD22      LEU  24  -2.213  -5.377  -0.750
  188   HD23  LEU  24          HD23      LEU  24  -1.442  -5.300   0.835
  189    HA   PRO  25           HA       PRO  25  -0.475 -11.743   2.354
  190    HB2  PRO  25           HB2      PRO  25   1.679 -12.452   0.411
  191    HB3  PRO  25           HB3      PRO  25   0.396 -13.468   1.082
  192    HG2  PRO  25           HG2      PRO  25   0.179 -12.567  -1.377
  193    HG3  PRO  25           HG3      PRO  25  -1.232 -12.509  -0.301
  194    HD2  PRO  25           HD2      PRO  25   0.631 -10.303  -1.104
  195    HD3  PRO  25           HD3      PRO  25  -1.132 -10.282  -0.934
  196    H    ASP  26           H        ASP  26   2.180  -9.692   1.346
  197    HA   ASP  26           HA       ASP  26   3.693 -10.558   3.728
  198    HB2  ASP  26           HB2      ASP  26   4.647  -9.521   1.070
  199    HB3  ASP  26           HB3      ASP  26   5.682  -9.514   2.491
  200    H    TYR  27           H        TYR  27   1.997  -8.023   2.314
  201    HA   TYR  27           HA       TYR  27   1.768  -5.801   2.643
  202    HB2  TYR  27           HB2      TYR  27   2.360  -6.897   5.299
  203    HB3  TYR  27           HB3      TYR  27   2.701  -5.179   5.141
  204    HD1  TYR  27           HD1      TYR  27   0.555  -4.298   3.322
  205    HD2  TYR  27           HD2      TYR  27   0.431  -7.017   6.595
  206    HE1  TYR  27           HE1      TYR  27  -1.814  -3.757   3.672
  207    HE2  TYR  27           HE2      TYR  27  -1.946  -6.488   6.947
  208    HH   TYR  27           HH       TYR  27  -3.484  -4.560   6.467
  209    H    ILE  28           H        ILE  28   4.143  -6.587   1.342
  210    HA   ILE  28           HA       ILE  28   6.066  -4.610   2.343
  211    HB   ILE  28           HB       ILE  28   7.742  -5.764   0.907
  212   HG12  ILE  28          HG12      ILE  28   5.560  -7.849   0.659
  213   HG13  ILE  28          HG13      ILE  28   6.183  -6.852  -0.647
  214   HG21  ILE  28          HG21      ILE  28   8.061  -7.664   2.427
  215   HG22  ILE  28          HG22      ILE  28   6.429  -7.421   3.055
  216   HG23  ILE  28          HG23      ILE  28   7.658  -6.177   3.284
  217   HD11  ILE  28          HD11      ILE  28   7.099  -9.088  -0.741
  218   HD12  ILE  28          HD12      ILE  28   7.730  -8.918   0.895
  219   HD13  ILE  28          HD13      ILE  28   8.368  -7.912  -0.405
  220    H    CYS  29           H        CYS  29   7.575  -4.116   0.300
  221    HA   CYS  29           HA       CYS  29   5.902  -2.466  -1.409
  222    HB2  CYS  29           HB2      CYS  29   7.920  -1.603  -0.240
  223    HB3  CYS  29           HB3      CYS  29   8.902  -2.734  -1.145
  224    HA   PRO  30           HA       PRO  30   6.388  -5.331  -4.790
  225    HB2  PRO  30           HB2      PRO  30   5.475  -3.777  -6.790
  226    HB3  PRO  30           HB3      PRO  30   4.399  -4.442  -5.559
  227    HG2  PRO  30           HG2      PRO  30   5.529  -1.688  -5.799
  228    HG3  PRO  30           HG3      PRO  30   3.904  -2.190  -5.305
  229    HD2  PRO  30           HD2      PRO  30   5.909  -1.465  -3.564
  230    HD3  PRO  30           HD3      PRO  30   4.542  -2.513  -3.131
  231    H    ARG  31           H        ARG  31   7.955  -2.316  -4.451
  232    HA   ARG  31           HA       ARG  31   9.634  -2.711  -6.790
  233    HB2  ARG  31           HB2      ARG  31   9.927  -0.433  -4.875
  234    HB3  ARG  31           HB3      ARG  31  10.228  -0.479  -6.603
  235    HG2  ARG  31           HG2      ARG  31   7.539  -1.025  -6.383
  236    HG3  ARG  31           HG3      ARG  31   7.826   0.194  -5.149
  237    HD2  ARG  31           HD2      ARG  31   7.248   1.280  -7.182
  238    HD3  ARG  31           HD3      ARG  31   8.944   1.583  -6.850
  239    HE   ARG  31           HE       ARG  31   9.175  -0.486  -8.461
  240   HH11  ARG  31          HH11      ARG  31   7.030   2.267  -8.768
  241   HH12  ARG  31          HH12      ARG  31   7.025   2.225 -10.500
  242   HH21  ARG  31          HH21      ARG  31   9.169  -0.542 -10.730
  243   HH22  ARG  31          HH22      ARG  31   8.239   0.623 -11.620
  244    H    CYS  32           H        CYS  32   9.972  -2.492  -3.222
  245    HA   CYS  32           HA       CYS  32  12.719  -3.475  -3.623
  246    HB2  CYS  32           HB2      CYS  32  13.518  -2.148  -1.774
  247    HB3  CYS  32           HB3      CYS  32  12.724  -1.108  -2.947
  248    H    GLU  33           H        GLU  33   9.758  -4.126  -2.191
  249    HA   GLU  33           HA       GLU  33   9.010  -5.792  -0.839
  250    HB2  GLU  33           HB2      GLU  33  11.742  -6.948  -1.414
  251    HB3  GLU  33           HB3      GLU  33  10.392  -7.835  -0.724
  252    HG2  GLU  33           HG2      GLU  33   9.116  -7.567  -2.741
  253    HG3  GLU  33           HG3      GLU  33  10.359  -6.526  -3.433
  254    H    SER  34           H        SER  34  10.228  -3.545   0.425
  255    HA   SER  34           HA       SER  34  11.908  -4.598   2.538
  256    HB2  SER  34           HB2      SER  34  12.720  -2.583   1.573
  257    HB3  SER  34           HB3      SER  34  11.157  -1.784   1.733
  258    HG   SER  34           HG       SER  34  12.501  -2.760   4.013
  259    H    GLY  35           H        GLY  35   8.972  -2.557   2.428
  260    HA2  GLY  35           HA2      GLY  35   7.068  -3.441   3.748
  261    HA3  GLY  35           HA3      GLY  35   8.250  -3.764   5.001
  262    H    PHE  36           H        PHE  36   9.621  -1.173   4.298
  263    HA   PHE  36           HA       PHE  36   8.205   0.511   6.111
  264    HB2  PHE  36           HB2      PHE  36  10.612   0.899   4.357
  265    HB3  PHE  36           HB3      PHE  36   9.893   2.262   5.204
  266    HD1  PHE  36           HD1      PHE  36  10.805  -1.262   6.042
  267    HD2  PHE  36           HD2      PHE  36  10.947   2.847   7.123
  268    HE1  PHE  36           HE1      PHE  36  12.072  -1.846   8.068
  269    HE2  PHE  36           HE2      PHE  36  12.215   2.274   9.155
  270    HZ   PHE  36           HZ       PHE  36  12.779  -0.077   9.629
  271    H    ILE  37           H        ILE  37   6.143   0.812   5.266
  272    HA   ILE  37           HA       ILE  37   5.983   2.661   3.005
  273    HB   ILE  37           HB       ILE  37   4.001   1.430   2.145
  274   HG12  ILE  37          HG12      ILE  37   4.842  -0.572   4.239
  275   HG13  ILE  37          HG13      ILE  37   3.271   0.168   4.027
  276   HG21  ILE  37          HG21      ILE  37   6.640  -0.017   2.202
  277   HG22  ILE  37          HG22      ILE  37   6.083   1.162   1.012
  278   HG23  ILE  37          HG23      ILE  37   5.317  -0.425   1.109
  279   HD11  ILE  37          HD11      ILE  37   4.527  -1.806   2.135
  280   HD12  ILE  37          HD12      ILE  37   2.918  -1.100   1.991
  281   HD13  ILE  37          HD13      ILE  37   3.291  -2.174   3.338
  282    H    GLU  38           H        GLU  38   4.039   3.914   2.945
  283    HA   GLU  38           HA       GLU  38   2.698   4.078   5.561
  284    HB2  GLU  38           HB2      GLU  38   3.562   6.174   3.623
  285    HB3  GLU  38           HB3      GLU  38   2.162   6.479   4.642
  286    HG2  GLU  38           HG2      GLU  38   3.622   5.934   6.614
  287    HG3  GLU  38           HG3      GLU  38   4.989   5.951   5.498
  288    H    GLU  39           H        GLU  39   0.646   3.539   5.584
  289    HA   GLU  39           HA       GLU  39  -0.890   3.171   3.207
  290    HB2  GLU  39           HB2      GLU  39  -1.098   1.884   5.393
  291    HB3  GLU  39           HB3      GLU  39  -1.888   3.299   6.056
  292    HG2  GLU  39           HG2      GLU  39  -2.908   1.929   3.596
  293    HG3  GLU  39           HG3      GLU  39  -3.347   1.391   5.216
  294    H    LEU  40           H        LEU  40  -1.704   4.796   2.084
  295    HA   LEU  40           HA       LEU  40  -1.690   7.450   3.199
  296    HB2  LEU  40           HB2      LEU  40  -2.363   6.452   0.445
  297    HB3  LEU  40           HB3      LEU  40  -2.268   8.142   0.891
  298    HG   LEU  40           HG       LEU  40   0.039   6.195   0.990
  299   HD11  LEU  40          HD11      LEU  40  -0.648   6.649  -1.284
  300   HD12  LEU  40          HD12      LEU  40   0.889   7.433  -0.923
  301   HD13  LEU  40          HD13      LEU  40  -0.594   8.383  -0.969
  302   HD21  LEU  40          HD21      LEU  40  -0.079   9.176   1.428
  303   HD22  LEU  40          HD22      LEU  40   1.398   8.219   1.319
  304   HD23  LEU  40          HD23      LEU  40   0.270   7.951   2.648
  Start of MODEL   18
    1    H1   GLY  -1           H1       GLY  -1 -16.675  12.331   2.489
    2    H2   GLY  -1           H2       GLY  -1 -17.335  10.888   3.069
    3    H3   GLY  -1           H3       GLY  -1 -18.344  12.203   2.734
    4    HA2  GLY  -1           HA3      GLY  -1 -18.522  10.562   0.988
    5    HA3  GLY  -1           HA2      GLY  -1 -17.814  12.053   0.387
    6    H    SER   0           H        SER   0 -17.090  10.544  -1.335
    7    HA   SER   0           HA       SER   0 -14.523   9.331  -0.575
    8    HB2  SER   0           HB2      SER   0 -16.260   7.595  -1.036
    9    HB3  SER   0           HB3      SER   0 -16.433   8.250  -2.662
   10    HG   SER   0           HG       SER   0 -14.641   6.491  -1.755
   11    H    MET   1           H        MET   1 -13.175  10.891  -1.303
   12    HA   MET   1           HA       MET   1 -13.606  12.095  -3.916
   13    HB2  MET   1           HB2      MET   1 -11.637  13.484  -3.355
   14    HB3  MET   1           HB3      MET   1 -12.904  13.581  -2.140
   15    HG2  MET   1           HG2      MET   1 -11.651  11.975  -0.753
   16    HG3  MET   1           HG3      MET   1 -10.361  11.984  -1.955
   17    HE1  MET   1           HE1      MET   1  -8.708  12.606   0.139
   18    HE2  MET   1           HE2      MET   1 -10.108  12.650   1.210
   19    HE3  MET   1           HE3      MET   1  -8.979  14.005   1.176
   20    H    ALA   2           H        ALA   2 -12.448   9.272  -2.990
   21    HA   ALA   2           HA       ALA   2 -11.167   8.739  -5.448
   22    HB1  ALA   2           HB1      ALA   2  -8.922   8.225  -4.673
   23    HB2  ALA   2           HB2      ALA   2  -9.339   8.754  -3.044
   24    HB3  ALA   2           HB3      ALA   2  -9.291   9.921  -4.365
   25    H    GLU   3           H        GLU   3 -10.873   7.664  -2.080
   26    HA   GLU   3           HA       GLU   3 -12.545   5.416  -2.373
   27    HB2  GLU   3           HB2      GLU   3 -10.562   4.653  -3.717
   28    HB3  GLU   3           HB3      GLU   3  -9.589   4.772  -2.261
   29    HG2  GLU   3           HG2      GLU   3 -10.876   3.049  -1.198
   30    HG3  GLU   3           HG3      GLU   3 -11.988   2.986  -2.563
   31    H    ALA   4           H        ALA   4  -9.675   4.839  -0.555
   32    HA   ALA   4           HA       ALA   4  -9.225   4.786   1.668
   33    HB1  ALA   4           HB1      ALA   4  -9.345   6.929   2.793
   34    HB2  ALA   4           HB2      ALA   4 -10.451   7.533   1.560
   35    HB3  ALA   4           HB3      ALA   4  -8.789   7.130   1.132
   36    H    SER   5           H        SER   5 -11.200   3.164   1.596
   37    HA   SER   5           HA       SER   5 -12.435   3.438   4.100
   38    HB2  SER   5           HB2      SER   5 -13.915   5.019   2.927
   39    HB3  SER   5           HB3      SER   5 -14.353   3.756   1.780
   40    HG   SER   5           HG       SER   5 -14.913   3.881   4.557
   41    HA   PRO   6           HA       PRO   6 -14.220  -0.577   2.051
   42    HB2  PRO   6           HB2      PRO   6 -13.176  -1.237  -0.405
   43    HB3  PRO   6           HB3      PRO   6 -14.733  -0.440  -0.162
   44    HG2  PRO   6           HG2      PRO   6 -12.082   0.749  -0.866
   45    HG3  PRO   6           HG3      PRO   6 -13.692   1.144  -1.498
   46    HD2  PRO   6           HD2      PRO   6 -12.495   2.683   0.341
   47    HD3  PRO   6           HD3      PRO   6 -14.247   2.412   0.361
   48    H    HIS   7           H        HIS   7 -10.910   0.338   1.231
   49    HA   HIS   7           HA       HIS   7  -9.742  -1.646   2.863
   50    HB2  HIS   7           HB2      HIS   7  -8.693  -3.020   1.068
   51    HB3  HIS   7           HB3      HIS   7 -10.431  -3.217   1.146
   52    HD1  HIS   7           HD1      HIS   7 -11.676  -2.905  -0.988
   53    HD2  HIS   7           HD2      HIS   7  -7.849  -1.297  -1.158
   54    HE1  HIS   7           HE1      HIS   7 -11.361  -2.165  -3.366
   55    HE2  HIS   7           HE2      HIS   7  -9.071  -1.124  -3.433
   56    HA   PRO   8           HA       PRO   8  -6.301   1.066   1.954
   57    HB2  PRO   8           HB2      PRO   8  -4.315  -0.371   3.115
   58    HB3  PRO   8           HB3      PRO   8  -5.483   0.570   4.043
   59    HG2  PRO   8           HG2      PRO   8  -5.304  -2.356   3.633
   60    HG3  PRO   8           HG3      PRO   8  -5.933  -1.448   5.015
   61    HD2  PRO   8           HD2      PRO   8  -7.445  -2.675   3.012
   62    HD3  PRO   8           HD3      PRO   8  -8.031  -1.484   4.181
   63    H    GLY   9           H        GLY   9  -4.943   1.259   0.236
   64    HA2  GLY   9           HA2      GLY   9  -3.810  -1.098  -1.020
   65    HA3  GLY   9           HA3      GLY   9  -5.046  -0.280  -1.963
   66    H    ARG  10           H        ARG  10  -4.373   2.359  -1.077
   67    HA   ARG  10           HA       ARG  10  -2.042   2.840  -2.710
   68    HB2  ARG  10           HB2      ARG  10  -2.571   5.241  -2.257
   69    HB3  ARG  10           HB3      ARG  10  -3.889   4.348  -3.000
   70    HG2  ARG  10           HG2      ARG  10  -5.158   4.350  -1.075
   71    HG3  ARG  10           HG3      ARG  10  -3.768   4.653  -0.034
   72    HD2  ARG  10           HD2      ARG  10  -4.478   6.775  -0.043
   73    HD3  ARG  10           HD3      ARG  10  -3.767   6.841  -1.653
   74    HE   ARG  10           HE       ARG  10  -5.994   6.362  -2.541
   75   HH11  ARG  10          HH11      ARG  10  -5.764   7.432   0.787
   76   HH12  ARG  10          HH12      ARG  10  -7.351   8.141   0.795
   77   HH21  ARG  10          HH21      ARG  10  -8.092   7.256  -2.518
   78   HH22  ARG  10          HH22      ARG  10  -8.676   8.040  -1.081
   79    H    TYR  11           H        TYR  11  -0.097   2.637  -1.836
   80    HA   TYR  11           HA       TYR  11   0.297   3.648   0.901
   81    HB2  TYR  11           HB2      TYR  11   1.328   1.155  -0.393
   82    HB3  TYR  11           HB3      TYR  11   2.299   1.960   0.832
   83    HD1  TYR  11           HD1      TYR  11  -1.216   0.758   0.336
   84    HD2  TYR  11           HD2      TYR  11   2.048   1.328   3.003
   85    HE1  TYR  11           HE1      TYR  11  -2.472  -0.382   2.121
   86    HE2  TYR  11           HE2      TYR  11   0.820   0.191   4.784
   87    HH   TYR  11           HH       TYR  11  -1.464  -0.345   5.396
   88    H    PHE  12           H        PHE  12   2.557   4.262   1.329
   89    HA   PHE  12           HA       PHE  12   3.959   5.150  -1.091
   90    HB2  PHE  12           HB2      PHE  12   2.679   6.960   0.227
   91    HB3  PHE  12           HB3      PHE  12   3.935   6.765   1.447
   92    HD1  PHE  12           HD2      PHE  12   3.198   7.792  -1.975
   93    HD2  PHE  12           HD1      PHE  12   6.142   7.585   1.083
   94    HE1  PHE  12           HE2      PHE  12   4.631   9.328  -3.261
   95    HE2  PHE  12           HE1      PHE  12   7.597   9.117  -0.203
   96    HZ   PHE  12           HZ       PHE  12   6.829   9.992  -2.373
   97    H    CYS  13           H        CYS  13   5.796   4.068  -1.173
   98    HA   CYS  13           HA       CYS  13   6.940   2.876   1.188
   99    HB2  CYS  13           HB2      CYS  13   7.042   1.574  -0.821
  100    HB3  CYS  13           HB3      CYS  13   7.788   2.894  -1.710
  101    H    HIS  14           H        HIS  14   8.588   3.582   2.361
  102    HA   HIS  14           HA       HIS  14   9.650   6.220   1.881
  103    HB2  HIS  14           HB2      HIS  14   9.845   4.191   4.061
  104    HB3  HIS  14           HB3      HIS  14  11.075   5.450   3.976
  105    HD1  HIS  14           HD1      HIS  14  10.476   7.074   5.748
  106    HD2  HIS  14           HD2      HIS  14   7.158   5.851   3.568
  107    HE1  HIS  14           HE1      HIS  14   8.561   8.456   6.604
  108    HE2  HIS  14           HE2      HIS  14   6.613   7.846   5.120
  109    H    CYS  15           H        CYS  15  10.648   2.951   1.418
  110    HA   CYS  15           HA       CYS  15  13.434   3.476   1.120
  111    HB2  CYS  15           HB2      CYS  15  11.715   1.133   0.288
  112    HB3  CYS  15           HB3      CYS  15  13.470   1.139   0.209
  113    HG   CYS  15           HG       CYS  15  13.952   0.639   2.699
  114    H    CYS  16           H        CYS  16  10.672   3.413  -1.032
  115    HA   CYS  16           HA       CYS  16  12.432   3.887  -3.337
  116    HB2  CYS  16           HB2      CYS  16   9.491   3.195  -3.232
  117    HB3  CYS  16           HB3      CYS  16  10.402   3.481  -4.702
  118    H    SER  17           H        SER  17  10.447   5.448  -1.149
  119    HA   SER  17           HA       SER  17   9.246   7.337  -0.998
  120    HB2  SER  17           HB2      SER  17  10.330   9.387  -1.887
  121    HB3  SER  17           HB3      SER  17  11.414   8.361  -0.957
  122    HG   SER  17           HG       SER  17  11.668   7.547  -3.423
  123    H    VAL  18           H        VAL  18   8.087   5.667  -2.759
  124    HA   VAL  18           HA       VAL  18   6.771   7.559  -4.557
  125    HB   VAL  18           HB       VAL  18   6.638   5.969  -6.385
  126   HG11  VAL  18          HG11      VAL  18   9.493   6.337  -5.497
  127   HG12  VAL  18          HG12      VAL  18   8.521   7.518  -6.375
  128   HG13  VAL  18          HG13      VAL  18   8.955   5.989  -7.140
  129   HG21  VAL  18          HG21      VAL  18   8.355   4.187  -4.670
  130   HG22  VAL  18          HG22      VAL  18   7.972   3.896  -6.366
  131   HG23  VAL  18          HG23      VAL  18   6.687   3.896  -5.158
  132    H    GLU  19           H        GLU  19   4.694   6.725  -5.342
  133    HA   GLU  19           HA       GLU  19   3.262   5.530  -3.128
  134    HB2  GLU  19           HB2      GLU  19   2.552   7.486  -4.797
  135    HB3  GLU  19           HB3      GLU  19   1.913   6.135  -5.718
  136    HG2  GLU  19           HG2      GLU  19   0.729   5.452  -3.604
  137    HG3  GLU  19           HG3      GLU  19   1.186   7.013  -2.949
  138    H    ILE  20           H        ILE  20   2.574   3.471  -3.029
  139    HA   ILE  20           HA       ILE  20   2.972   1.751  -5.393
  140    HB   ILE  20           HB       ILE  20   3.940   0.007  -3.907
  141   HG12  ILE  20          HG12      ILE  20   4.774   1.865  -1.829
  142   HG13  ILE  20          HG13      ILE  20   3.030   1.650  -1.870
  143   HG21  ILE  20          HG21      ILE  20   6.175   1.020  -3.697
  144   HG22  ILE  20          HG22      ILE  20   5.468   2.599  -4.040
  145   HG23  ILE  20          HG23      ILE  20   5.428   1.329  -5.264
  146   HD11  ILE  20          HD11      ILE  20   5.107  -0.503  -1.579
  147   HD12  ILE  20          HD12      ILE  20   3.371  -0.782  -1.718
  148   HD13  ILE  20          HD13      ILE  20   4.013   0.099  -0.331
  149    H    VAL  21           H        VAL  21   2.003  -0.347  -5.185
  150    HA   VAL  21           HA       VAL  21  -0.177  -0.514  -3.211
  151    HB   VAL  21           HB       VAL  21  -1.167  -0.537  -5.381
  152   HG11  VAL  21          HG11      VAL  21   0.811  -2.661  -6.188
  153   HG12  VAL  21          HG12      VAL  21   0.877  -0.964  -6.665
  154   HG13  VAL  21          HG13      VAL  21  -0.466  -1.979  -7.198
  155   HG21  VAL  21          HG21      VAL  21  -0.898  -3.390  -4.434
  156   HG22  VAL  21          HG22      VAL  21  -2.144  -2.782  -5.523
  157   HG23  VAL  21          HG23      VAL  21  -2.071  -2.205  -3.859
  158    HA   PRO  22           HA       PRO  22   2.869  -3.295  -1.510
  159    HB2  PRO  22           HB2      PRO  22   0.695  -3.879   0.413
  160    HB3  PRO  22           HB3      PRO  22   2.330  -3.305   0.712
  161    HG2  PRO  22           HG2      PRO  22   0.259  -1.672   0.967
  162    HG3  PRO  22           HG3      PRO  22   1.783  -1.103   0.260
  163    HD2  PRO  22           HD2      PRO  22  -0.759  -1.898  -1.112
  164    HD3  PRO  22           HD3      PRO  22   0.311  -0.516  -1.435
  165    H    ARG  23           H        ARG  23   3.298  -5.423  -1.601
  166    HA   ARG  23           HA       ARG  23   1.393  -7.226  -2.757
  167    HB2  ARG  23           HB2      ARG  23   4.104  -7.703  -1.491
  168    HB3  ARG  23           HB3      ARG  23   3.159  -8.943  -2.304
  169    HG2  ARG  23           HG2      ARG  23   3.277  -7.658  -4.385
  170    HG3  ARG  23           HG3      ARG  23   4.240  -6.432  -3.565
  171    HD2  ARG  23           HD2      ARG  23   5.982  -8.076  -3.136
  172    HD3  ARG  23           HD3      ARG  23   5.011  -9.326  -3.911
  173    HE   ARG  23           HE       ARG  23   5.307  -7.277  -5.758
  174   HH11  ARG  23          HH11      ARG  23   7.380  -9.529  -4.054
  175   HH12  ARG  23          HH12      ARG  23   8.557  -9.596  -5.324
  176   HH21  ARG  23          HH21      ARG  23   6.849  -7.351  -7.414
  177   HH22  ARG  23          HH22      ARG  23   8.258  -8.348  -7.240
  178    H    LEU  24           H        LEU  24  -0.320  -7.671  -1.547
  179    HA   LEU  24           HA       LEU  24  -0.502  -7.160   1.160
  180    HB2  LEU  24           HB2      LEU  24  -2.231  -7.858  -0.896
  181    HB3  LEU  24           HB3      LEU  24  -2.475  -9.070   0.343
  182    HG   LEU  24           HG       LEU  24  -3.998  -7.118   0.526
  183   HD11  LEU  24          HD11      LEU  24  -3.726  -6.814   2.935
  184   HD12  LEU  24          HD12      LEU  24  -2.117  -7.527   2.837
  185   HD13  LEU  24          HD13      LEU  24  -3.537  -8.503   2.465
  186   HD21  LEU  24          HD21      LEU  24  -3.176  -4.993   1.276
  187   HD22  LEU  24          HD22      LEU  24  -2.345  -5.428  -0.216
  188   HD23  LEU  24          HD23      LEU  24  -1.522  -5.604   1.334
  189    HA   PRO  25           HA       PRO  25  -0.155 -12.139   1.782
  190    HB2  PRO  25           HB2      PRO  25   2.198 -12.130  -0.069
  191    HB3  PRO  25           HB3      PRO  25   1.136 -13.471   0.379
  192    HG2  PRO  25           HG2      PRO  25   0.800 -12.266  -1.933
  193    HG3  PRO  25           HG3      PRO  25  -0.615 -12.670  -0.940
  194    HD2  PRO  25           HD2      PRO  25   0.688 -10.027  -1.397
  195    HD3  PRO  25           HD3      PRO  25  -1.021 -10.422  -1.164
  196    H    ASP  26           H        ASP  26   2.337  -9.681   1.290
  197    HA   ASP  26           HA       ASP  26   3.601 -10.578   3.798
  198    HB2  ASP  26           HB2      ASP  26   4.896  -9.691   1.236
  199    HB3  ASP  26           HB3      ASP  26   5.756  -9.625   2.769
  200    H    TYR  27           H        TYR  27   1.940  -8.171   2.326
  201    HA   TYR  27           HA       TYR  27   1.641  -5.942   2.556
  202    HB2  TYR  27           HB2      TYR  27   2.112  -6.997   5.237
  203    HB3  TYR  27           HB3      TYR  27   2.472  -5.280   5.101
  204    HD1  TYR  27           HD1      TYR  27   0.548  -4.047   3.536
  205    HD2  TYR  27           HD2      TYR  27  -0.003  -7.439   6.044
  206    HE1  TYR  27           HE1      TYR  27  -1.838  -3.499   3.739
  207    HE2  TYR  27           HE2      TYR  27  -2.395  -6.904   6.246
  208    HH   TYR  27           HH       TYR  27  -3.868  -4.918   6.043
  209    H    ILE  28           H        ILE  28   4.059  -6.574   1.317
  210    HA   ILE  28           HA       ILE  28   5.881  -4.544   2.417
  211    HB   ILE  28           HB       ILE  28   7.637  -5.688   0.985
  212   HG12  ILE  28          HG12      ILE  28   5.548  -7.878   0.963
  213   HG13  ILE  28          HG13      ILE  28   6.081  -6.962  -0.437
  214   HG21  ILE  28          HG21      ILE  28   6.432  -7.232   3.276
  215   HG22  ILE  28          HG22      ILE  28   7.580  -5.899   3.402
  216   HG23  ILE  28          HG23      ILE  28   8.072  -7.418   2.654
  217   HD11  ILE  28          HD11      ILE  28   8.311  -7.896  -0.210
  218   HD12  ILE  28          HD12      ILE  28   7.099  -9.167  -0.362
  219   HD13  ILE  28          HD13      ILE  28   7.797  -8.797   1.214
  220    H    CYS  29           H        CYS  29   7.497  -4.148   0.314
  221    HA   CYS  29           HA       CYS  29   5.856  -2.487  -1.407
  222    HB2  CYS  29           HB2      CYS  29   7.953  -1.687  -0.316
  223    HB3  CYS  29           HB3      CYS  29   8.853  -2.865  -1.244
  224    HA   PRO  30           HA       PRO  30   6.117  -5.477  -4.694
  225    HB2  PRO  30           HB2      PRO  30   5.232  -3.972  -6.740
  226    HB3  PRO  30           HB3      PRO  30   4.153  -4.495  -5.443
  227    HG2  PRO  30           HG2      PRO  30   5.444  -1.842  -5.886
  228    HG3  PRO  30           HG3      PRO  30   3.818  -2.211  -5.288
  229    HD2  PRO  30           HD2      PRO  30   5.977  -1.523  -3.704
  230    HD3  PRO  30           HD3      PRO  30   4.539  -2.402  -3.134
  231    H    ARG  31           H        ARG  31   7.923  -2.663  -4.403
  232    HA   ARG  31           HA       ARG  31   9.532  -3.179  -6.781
  233    HB2  ARG  31           HB2      ARG  31  10.104  -0.914  -4.951
  234    HB3  ARG  31           HB3      ARG  31  10.187  -0.985  -6.699
  235    HG2  ARG  31           HG2      ARG  31   7.634  -1.086  -6.602
  236    HG3  ARG  31           HG3      ARG  31   7.815  -0.553  -4.941
  237    HD2  ARG  31           HD2      ARG  31   7.456   1.327  -6.452
  238    HD3  ARG  31           HD3      ARG  31   9.028   1.403  -5.669
  239    HE   ARG  31           HE       ARG  31   8.589   0.575  -8.464
  240   HH11  ARG  31          HH11      ARG  31  10.640   1.937  -5.970
  241   HH12  ARG  31          HH12      ARG  31  11.879   2.424  -7.076
  242   HH21  ARG  31          HH21      ARG  31  10.236   1.183  -9.912
  243   HH22  ARG  31          HH22      ARG  31  11.655   1.985  -9.319
  244    H    CYS  32           H        CYS  32  10.028  -2.489  -3.292
  245    HA   CYS  32           HA       CYS  32  12.694  -3.674  -3.620
  246    HB2  CYS  32           HB2      CYS  32  13.513  -2.211  -1.888
  247    HB3  CYS  32           HB3      CYS  32  12.688  -1.255  -3.109
  248    H    GLU  33           H        GLU  33   9.736  -4.258  -2.267
  249    HA   GLU  33           HA       GLU  33   8.920  -5.753  -0.763
  250    HB2  GLU  33           HB2      GLU  33  11.608  -7.024  -1.277
  251    HB3  GLU  33           HB3      GLU  33  10.262  -7.822  -0.481
  252    HG2  GLU  33           HG2      GLU  33   8.920  -7.598  -2.501
  253    HG3  GLU  33           HG3      GLU  33  10.257  -6.771  -3.300
  254    H    SER  34           H        SER  34  10.104  -3.482   0.426
  255    HA   SER  34           HA       SER  34  11.743  -4.450   2.610
  256    HB2  SER  34           HB2      SER  34  12.671  -2.470   1.924
  257    HB3  SER  34           HB3      SER  34  11.125  -1.753   1.477
  258    HG   SER  34           HG       SER  34  12.433  -1.179   3.576
  259    H    GLY  35           H        GLY  35   8.775  -2.466   2.377
  260    HA2  GLY  35           HA2      GLY  35   6.844  -3.179   3.702
  261    HA3  GLY  35           HA3      GLY  35   7.990  -3.614   4.957
  262    H    PHE  36           H        PHE  36   9.492  -1.055   4.156
  263    HA   PHE  36           HA       PHE  36   8.298   0.709   6.035
  264    HB2  PHE  36           HB2      PHE  36  10.526   0.993   4.041
  265    HB3  PHE  36           HB3      PHE  36   9.938   2.387   4.937
  266    HD1  PHE  36           HD1      PHE  36  10.852  -1.150   5.705
  267    HD2  PHE  36           HD2      PHE  36  11.181   2.957   6.742
  268    HE1  PHE  36           HE1      PHE  36  12.311  -1.748   7.591
  269    HE2  PHE  36           HE2      PHE  36  12.640   2.368   8.632
  270    HZ   PHE  36           HZ       PHE  36  13.207   0.012   9.061
  271    H    ILE  37           H        ILE  37   6.126   0.780   5.168
  272    HA   ILE  37           HA       ILE  37   5.861   2.704   2.967
  273    HB   ILE  37           HB       ILE  37   3.910   1.444   2.123
  274   HG12  ILE  37          HG12      ILE  37   4.762  -0.560   4.214
  275   HG13  ILE  37          HG13      ILE  37   3.195   0.193   4.029
  276   HG21  ILE  37          HG21      ILE  37   5.251  -0.434   1.133
  277   HG22  ILE  37          HG22      ILE  37   6.574   0.057   2.191
  278   HG23  ILE  37          HG23      ILE  37   5.957   1.174   0.974
  279   HD11  ILE  37          HD11      ILE  37   3.180  -2.143   3.322
  280   HD12  ILE  37          HD12      ILE  37   4.407  -1.782   2.108
  281   HD13  ILE  37          HD13      ILE  37   2.804  -1.056   1.988
  282    H    GLU  38           H        GLU  38   3.957   3.938   2.967
  283    HA   GLU  38           HA       GLU  38   2.651   4.107   5.598
  284    HB2  GLU  38           HB2      GLU  38   3.376   6.219   3.589
  285    HB3  GLU  38           HB3      GLU  38   2.169   6.513   4.838
  286    HG2  GLU  38           HG2      GLU  38   3.901   5.927   6.531
  287    HG3  GLU  38           HG3      GLU  38   5.080   5.862   5.220
  288    H    GLU  39           H        GLU  39   0.557   3.657   5.663
  289    HA   GLU  39           HA       GLU  39  -0.972   3.267   3.260
  290    HB2  GLU  39           HB2      GLU  39  -1.174   1.928   5.411
  291    HB3  GLU  39           HB3      GLU  39  -1.973   3.321   6.113
  292    HG2  GLU  39           HG2      GLU  39  -2.995   2.049   3.605
  293    HG3  GLU  39           HG3      GLU  39  -3.398   1.399   5.192
  294    H    LEU  40           H        LEU  40  -1.692   4.948   2.156
  295    HA   LEU  40           HA       LEU  40  -1.664   7.565   3.328
  296    HB2  LEU  40           HB2      LEU  40  -2.410   6.661   0.561
  297    HB3  LEU  40           HB3      LEU  40  -2.205   8.329   1.050
  298    HG   LEU  40           HG       LEU  40  -0.026   6.237   1.037
  299   HD11  LEU  40          HD11      LEU  40  -0.557   8.541  -0.819
  300   HD12  LEU  40          HD12      LEU  40  -0.698   6.825  -1.204
  301   HD13  LEU  40          HD13      LEU  40   0.879   7.517  -0.832
  302   HD21  LEU  40          HD21      LEU  40   1.471   8.137   1.445
  303   HD22  LEU  40          HD22      LEU  40   0.332   7.903   2.769
  304   HD23  LEU  40          HD23      LEU  40   0.072   9.197   1.599
  Start of MODEL   19
    1    H1   GLY  -1           H1       GLY  -1 -10.937   3.346   4.598
    2    H2   GLY  -1           H2       GLY  -1  -9.449   2.595   4.887
    3    H3   GLY  -1           H3       GLY  -1  -9.655   4.229   5.257
    4    HA2  GLY  -1           HA3      GLY  -1 -11.298   3.661   6.943
    5    HA3  GLY  -1           HA2      GLY  -1 -11.037   1.963   6.575
    6    H    SER   0           H        SER   0 -10.357   1.538   8.709
    7    HA   SER   0           HA       SER   0  -7.678   2.593   9.332
    8    HB2  SER   0           HB2      SER   0  -8.321   2.167  11.751
    9    HB3  SER   0           HB3      SER   0  -9.183   3.486  10.959
   10    HG   SER   0           HG       SER   0 -10.133   1.108  11.950
   11    H    MET   1           H        MET   1  -9.348  -0.092   8.384
   12    HA   MET   1           HA       MET   1  -7.268  -1.866   9.423
   13    HB2  MET   1           HB2      MET   1  -8.850  -3.570  10.076
   14    HB3  MET   1           HB3      MET   1  -9.245  -2.078  10.917
   15    HG2  MET   1           HG2      MET   1 -11.064  -1.657   9.396
   16    HG3  MET   1           HG3      MET   1 -10.630  -3.070   8.437
   17    HE1  MET   1           HE1      MET   1 -13.130  -3.998   8.592
   18    HE2  MET   1           HE2      MET   1 -13.567  -2.555   9.506
   19    HE3  MET   1           HE3      MET   1 -14.010  -4.152  10.111
   20    H    ALA   2           H        ALA   2  -7.309  -4.001   8.308
   21    HA   ALA   2           HA       ALA   2  -8.267  -3.735   5.531
   22    HB1  ALA   2           HB1      ALA   2  -5.822  -3.645   5.674
   23    HB2  ALA   2           HB2      ALA   2  -6.362  -5.103   4.841
   24    HB3  ALA   2           HB3      ALA   2  -5.814  -5.195   6.515
   25    H    GLU   3           H        GLU   3  -9.595  -4.855   7.904
   26    HA   GLU   3           HA       GLU   3  -9.625  -7.712   7.284
   27    HB2  GLU   3           HB2      GLU   3 -10.644  -6.335   9.771
   28    HB3  GLU   3           HB3      GLU   3 -10.468  -8.066   9.520
   29    HG2  GLU   3           HG2      GLU   3  -8.054  -7.798   9.351
   30    HG3  GLU   3           HG3      GLU   3  -8.229  -6.068   9.634
   31    H    ALA   4           H        ALA   4 -11.728  -8.796   7.497
   32    HA   ALA   4           HA       ALA   4 -13.880  -9.137   6.913
   33    HB1  ALA   4           HB1      ALA   4 -14.418  -7.578   8.713
   34    HB2  ALA   4           HB2      ALA   4 -15.555  -7.432   7.373
   35    HB3  ALA   4           HB3      ALA   4 -14.286  -6.228   7.589
   36    H    SER   5           H        SER   5 -13.729  -5.778   5.777
   37    HA   SER   5           HA       SER   5 -13.871  -6.776   3.031
   38    HB2  SER   5           HB2      SER   5 -15.736  -4.648   4.095
   39    HB3  SER   5           HB3      SER   5 -15.724  -5.328   2.469
   40    HG   SER   5           HG       SER   5 -17.001  -6.219   4.625
   41    HA   PRO   6           HA       PRO   6 -12.519  -2.030   2.916
   42    HB2  PRO   6           HB2      PRO   6 -11.456  -1.298   5.398
   43    HB3  PRO   6           HB3      PRO   6 -12.982  -0.731   4.717
   44    HG2  PRO   6           HG2      PRO   6 -12.477  -2.917   6.681
   45    HG3  PRO   6           HG3      PRO   6 -13.813  -1.750   6.613
   46    HD2  PRO   6           HD2      PRO   6 -14.173  -4.264   5.833
   47    HD3  PRO   6           HD3      PRO   6 -14.920  -2.931   4.938
   48    H    HIS   7           H        HIS   7 -10.559  -1.896   2.047
   49    HA   HIS   7           HA       HIS   7  -8.255  -3.001   3.413
   50    HB2  HIS   7           HB2      HIS   7  -7.539  -4.378   1.522
   51    HB3  HIS   7           HB3      HIS   7  -9.079  -4.933   2.138
   52    HD1  HIS   7           HD1      HIS   7  -7.404  -3.907  -0.932
   53    HD2  HIS   7           HD2      HIS   7 -11.325  -4.147   0.433
   54    HE1  HIS   7           HE1      HIS   7  -8.843  -3.831  -2.989
   55    HE2  HIS   7           HE2      HIS   7 -11.205  -3.767  -2.123
   56    HA   PRO   8           HA       PRO   8  -6.660   0.606   1.411
   57    HB2  PRO   8           HB2      PRO   8  -4.177   0.504   2.452
   58    HB3  PRO   8           HB3      PRO   8  -5.585   0.967   3.409
   59    HG2  PRO   8           HG2      PRO   8  -4.056  -1.570   3.389
   60    HG3  PRO   8           HG3      PRO   8  -4.919  -0.786   4.718
   61    HD2  PRO   8           HD2      PRO   8  -5.830  -2.936   3.174
   62    HD3  PRO   8           HD3      PRO   8  -6.803  -1.945   4.273
   63    H    GLY   9           H        GLY   9  -4.954   1.211  -0.104
   64    HA2  GLY   9           HA2      GLY   9  -3.593  -1.025  -1.399
   65    HA3  GLY   9           HA3      GLY   9  -4.769  -0.141  -2.357
   66    H    ARG  10           H        ARG  10  -4.313   2.429  -1.486
   67    HA   ARG  10           HA       ARG  10  -1.886   3.080  -2.850
   68    HB2  ARG  10           HB2      ARG  10  -2.477   5.432  -2.191
   69    HB3  ARG  10           HB3      ARG  10  -3.707   4.598  -3.122
   70    HG2  ARG  10           HG2      ARG  10  -5.114   4.368  -1.304
   71    HG3  ARG  10           HG3      ARG  10  -3.820   4.634  -0.139
   72    HD2  ARG  10           HD2      ARG  10  -4.769   6.686  -0.051
   73    HD3  ARG  10           HD3      ARG  10  -3.712   6.941  -1.433
   74    HE   ARG  10           HE       ARG  10  -5.837   6.195  -2.733
   75   HH11  ARG  10          HH11      ARG  10  -5.741   8.132   0.170
   76   HH12  ARG  10          HH12      ARG  10  -7.118   9.093  -0.265
   77   HH21  ARG  10          HH21      ARG  10  -7.666   7.444  -3.315
   78   HH22  ARG  10          HH22      ARG  10  -8.222   8.695  -2.249
   79    H    TYR  11           H        TYR  11  -0.038   2.618  -1.878
   80    HA   TYR  11           HA       TYR  11   0.337   3.582   0.878
   81    HB2  TYR  11           HB2      TYR  11   1.276   1.092  -0.468
   82    HB3  TYR  11           HB3      TYR  11   2.322   1.842   0.730
   83    HD1  TYR  11           HD2      TYR  11  -1.177   0.611   0.289
   84    HD2  TYR  11           HD1      TYR  11   2.037   1.390   2.960
   85    HE1  TYR  11           HE2      TYR  11  -2.427  -0.472   2.110
   86    HE2  TYR  11           HE1      TYR  11   0.813   0.319   4.778
   87    HH   TYR  11           HH       TYR  11  -1.995  -1.559   4.269
   88    H    PHE  12           H        PHE  12   2.537   4.256   1.368
   89    HA   PHE  12           HA       PHE  12   3.990   5.162  -1.018
   90    HB2  PHE  12           HB2      PHE  12   2.663   6.941   0.273
   91    HB3  PHE  12           HB3      PHE  12   3.885   6.759   1.529
   92    HD1  PHE  12           HD1      PHE  12   3.212   7.790  -1.901
   93    HD2  PHE  12           HD2      PHE  12   6.098   7.606   1.219
   94    HE1  PHE  12           HE1      PHE  12   4.661   9.349  -3.151
   95    HE2  PHE  12           HE2      PHE  12   7.561   9.159  -0.025
   96    HZ   PHE  12           HZ       PHE  12   6.833  10.036  -2.211
   97    H    CYS  13           H        CYS  13   5.825   4.098  -1.088
   98    HA   CYS  13           HA       CYS  13   6.911   2.823   1.244
   99    HB2  CYS  13           HB2      CYS  13   7.057   1.649  -0.849
  100    HB3  CYS  13           HB3      CYS  13   7.875   3.006  -1.611
  101    H    HIS  14           H        HIS  14   8.512   3.483   2.518
  102    HA   HIS  14           HA       HIS  14   9.634   6.118   2.142
  103    HB2  HIS  14           HB2      HIS  14   9.644   4.067   4.303
  104    HB3  HIS  14           HB3      HIS  14  10.970   5.228   4.279
  105    HD1  HIS  14           HD1      HIS  14  10.414   6.847   6.075
  106    HD2  HIS  14           HD2      HIS  14   7.123   5.967   3.690
  107    HE1  HIS  14           HE1      HIS  14   8.575   8.368   6.869
  108    HE2  HIS  14           HE2      HIS  14   6.557   7.735   5.497
  109    H    CYS  15           H        CYS  15  10.528   2.880   1.477
  110    HA   CYS  15           HA       CYS  15  13.363   3.351   1.357
  111    HB2  CYS  15           HB2      CYS  15  11.684   1.036   0.372
  112    HB3  CYS  15           HB3      CYS  15  13.436   1.038   0.477
  113    HG   CYS  15           HG       CYS  15  13.661   0.736   3.089
  114    H    CYS  16           H        CYS  16  10.674   3.428  -0.846
  115    HA   CYS  16           HA       CYS  16  12.503   3.921  -3.103
  116    HB2  CYS  16           HB2      CYS  16   9.567   3.202  -3.135
  117    HB3  CYS  16           HB3      CYS  16  10.550   3.504  -4.555
  118    H    SER  17           H        SER  17  10.416   5.418  -0.958
  119    HA   SER  17           HA       SER  17   9.218   7.309  -0.800
  120    HB2  SER  17           HB2      SER  17  10.293   9.376  -1.642
  121    HB3  SER  17           HB3      SER  17  11.393   8.341  -0.740
  122    HG   SER  17           HG       SER  17  11.526   7.652  -3.311
  123    H    VAL  18           H        VAL  18   8.100   5.641  -2.605
  124    HA   VAL  18           HA       VAL  18   6.799   7.540  -4.403
  125    HB   VAL  18           HB       VAL  18   6.709   5.945  -6.243
  126   HG11  VAL  18          HG11      VAL  18   8.547   7.560  -6.205
  127   HG12  VAL  18          HG12      VAL  18   9.020   6.051  -6.989
  128   HG13  VAL  18          HG13      VAL  18   9.549   6.391  -5.341
  129   HG21  VAL  18          HG21      VAL  18   6.817   3.881  -4.996
  130   HG22  VAL  18          HG22      VAL  18   8.480   4.225  -4.524
  131   HG23  VAL  18          HG23      VAL  18   8.091   3.912  -6.215
  132    H    GLU  19           H        GLU  19   4.749   6.664  -5.247
  133    HA   GLU  19           HA       GLU  19   3.285   5.420  -3.074
  134    HB2  GLU  19           HB2      GLU  19   2.594   7.419  -4.664
  135    HB3  GLU  19           HB3      GLU  19   2.025   6.118  -5.695
  136    HG2  GLU  19           HG2      GLU  19   0.832   5.308  -3.555
  137    HG3  GLU  19           HG3      GLU  19   1.086   6.950  -2.996
  138    H    ILE  20           H        ILE  20   2.507   3.368  -3.064
  139    HA   ILE  20           HA       ILE  20   2.895   1.683  -5.455
  140    HB   ILE  20           HB       ILE  20   3.844  -0.104  -3.996
  141   HG12  ILE  20          HG12      ILE  20   4.734   1.722  -1.917
  142   HG13  ILE  20          HG13      ILE  20   2.986   1.543  -1.938
  143   HG21  ILE  20          HG21      ILE  20   6.097   0.844  -3.833
  144   HG22  ILE  20          HG22      ILE  20   5.429   2.456  -4.089
  145   HG23  ILE  20          HG23      ILE  20   5.323   1.243  -5.365
  146   HD11  ILE  20          HD11      ILE  20   3.289  -0.902  -1.810
  147   HD12  ILE  20          HD12      ILE  20   3.939  -0.035  -0.417
  148   HD13  ILE  20          HD13      ILE  20   5.028  -0.644  -1.667
  149    H    VAL  21           H        VAL  21   1.863  -0.396  -5.289
  150    HA   VAL  21           HA       VAL  21  -0.250  -0.586  -3.249
  151    HB   VAL  21           HB       VAL  21  -1.334  -0.557  -5.363
  152   HG11  VAL  21          HG11      VAL  21   0.647  -2.614  -6.317
  153   HG12  VAL  21          HG12      VAL  21   0.619  -0.909  -6.767
  154   HG13  VAL  21          HG13      VAL  21  -0.707  -1.971  -7.247
  155   HG21  VAL  21          HG21      VAL  21  -2.312  -2.797  -5.552
  156   HG22  VAL  21          HG22      VAL  21  -2.170  -2.285  -3.870
  157   HG23  VAL  21          HG23      VAL  21  -1.019  -3.440  -4.541
  158    HA   PRO  22           HA       PRO  22   2.817  -3.449  -1.749
  159    HB2  PRO  22           HB2      PRO  22   0.864  -4.035   0.361
  160    HB3  PRO  22           HB3      PRO  22   2.480  -3.342   0.488
  161    HG2  PRO  22           HG2      PRO  22   0.281  -1.871   0.890
  162    HG3  PRO  22           HG3      PRO  22   1.734  -1.196   0.135
  163    HD2  PRO  22           HD2      PRO  22  -0.810  -2.117  -1.137
  164    HD3  PRO  22           HD3      PRO  22   0.178  -0.684  -1.495
  165    H    ARG  23           H        ARG  23   3.182  -5.626  -1.602
  166    HA   ARG  23           HA       ARG  23   1.178  -7.439  -2.624
  167    HB2  ARG  23           HB2      ARG  23   3.887  -8.012  -1.391
  168    HB3  ARG  23           HB3      ARG  23   2.894  -9.167  -2.263
  169    HG2  ARG  23           HG2      ARG  23   3.165  -7.877  -4.308
  170    HG3  ARG  23           HG3      ARG  23   4.132  -6.685  -3.437
  171    HD2  ARG  23           HD2      ARG  23   5.731  -8.502  -2.868
  172    HD3  ARG  23           HD3      ARG  23   4.802  -9.586  -3.897
  173    HE   ARG  23           HE       ARG  23   5.375  -7.537  -5.554
  174   HH11  ARG  23          HH11      ARG  23   7.326  -9.588  -3.500
  175   HH12  ARG  23          HH12      ARG  23   8.763  -9.411  -4.453
  176   HH21  ARG  23          HH21      ARG  23   7.245  -7.311  -6.838
  177   HH22  ARG  23          HH22      ARG  23   8.716  -8.110  -6.368
  178    H    LEU  24           H        LEU  24  -0.479  -7.779  -1.257
  179    HA   LEU  24           HA       LEU  24  -0.463  -7.065   1.401
  180    HB2  LEU  24           HB2      LEU  24  -2.316  -8.071  -0.489
  181    HB3  LEU  24           HB3      LEU  24  -2.541  -8.904   1.029
  182    HG   LEU  24           HG       LEU  24  -3.958  -6.890   0.792
  183   HD11  LEU  24          HD11      LEU  24  -3.406  -7.715   3.005
  184   HD12  LEU  24          HD12      LEU  24  -3.476  -5.952   3.000
  185   HD13  LEU  24          HD13      LEU  24  -1.915  -6.773   2.998
  186   HD21  LEU  24          HD21      LEU  24  -2.987  -4.692   0.894
  187   HD22  LEU  24          HD22      LEU  24  -2.323  -5.556  -0.491
  188   HD23  LEU  24          HD23      LEU  24  -1.364  -5.375   0.978
  189    HA   PRO  25           HA       PRO  25  -0.203 -12.009   2.389
  190    HB2  PRO  25           HB2      PRO  25   2.090 -12.129   0.459
  191    HB3  PRO  25           HB3      PRO  25   1.067 -13.444   1.051
  192    HG2  PRO  25           HG2      PRO  25   0.612 -12.419  -1.329
  193    HG3  PRO  25           HG3      PRO  25  -0.752 -12.761  -0.246
  194    HD2  PRO  25           HD2      PRO  25   0.474 -10.149  -0.980
  195    HD3  PRO  25           HD3      PRO  25  -1.207 -10.544  -0.595
  196    H    ASP  26           H        ASP  26   2.679 -10.171   1.340
  197    HA   ASP  26           HA       ASP  26   3.896 -10.652   3.968
  198    HB2  ASP  26           HB2      ASP  26   4.994  -9.892   1.283
  199    HB3  ASP  26           HB3      ASP  26   5.924  -9.550   2.737
  200    H    TYR  27           H        TYR  27   2.230  -8.341   2.253
  201    HA   TYR  27           HA       TYR  27   1.766  -6.150   2.463
  202    HB2  TYR  27           HB2      TYR  27   1.956  -7.143   5.077
  203    HB3  TYR  27           HB3      TYR  27   2.853  -5.627   5.092
  204    HD1  TYR  27           HD1      TYR  27   1.153  -4.267   2.907
  205    HD2  TYR  27           HD2      TYR  27   0.130  -6.412   6.439
  206    HE1  TYR  27           HE1      TYR  27  -0.952  -3.012   3.052
  207    HE2  TYR  27           HE2      TYR  27  -1.984  -5.162   6.588
  208    HH   TYR  27           HH       TYR  27  -2.933  -3.052   5.826
  209    H    ILE  28           H        ILE  28   4.191  -6.795   1.230
  210    HA   ILE  28           HA       ILE  28   6.046  -4.748   2.221
  211    HB   ILE  28           HB       ILE  28   7.723  -5.879   0.700
  212   HG12  ILE  28          HG12      ILE  28   5.673  -8.105   0.753
  213   HG13  ILE  28          HG13      ILE  28   6.037  -7.119  -0.653
  214   HG21  ILE  28          HG21      ILE  28   7.784  -6.142   3.104
  215   HG22  ILE  28          HG22      ILE  28   8.212  -7.657   2.309
  216   HG23  ILE  28          HG23      ILE  28   6.607  -7.453   3.013
  217   HD11  ILE  28          HD11      ILE  28   7.140  -9.277  -0.767
  218   HD12  ILE  28          HD12      ILE  28   7.959  -8.949   0.759
  219   HD13  ILE  28          HD13      ILE  28   8.319  -7.971  -0.663
  220    H    CYS  29           H        CYS  29   7.555  -4.211   0.186
  221    HA   CYS  29           HA       CYS  29   5.888  -2.585  -1.547
  222    HB2  CYS  29           HB2      CYS  29   7.932  -1.751  -0.352
  223    HB3  CYS  29           HB3      CYS  29   8.894  -2.857  -1.305
  224    HA   PRO  30           HA       PRO  30   6.441  -5.508  -4.875
  225    HB2  PRO  30           HB2      PRO  30   5.506  -4.035  -6.923
  226    HB3  PRO  30           HB3      PRO  30   4.438  -4.656  -5.660
  227    HG2  PRO  30           HG2      PRO  30   5.504  -1.907  -6.058
  228    HG3  PRO  30           HG3      PRO  30   3.924  -2.420  -5.449
  229    HD2  PRO  30           HD2      PRO  30   6.075  -1.574  -3.897
  230    HD3  PRO  30           HD3      PRO  30   4.673  -2.493  -3.304
  231    H    ARG  31           H        ARG  31   8.086  -2.640  -4.448
  232    HA   ARG  31           HA       ARG  31   9.739  -2.929  -6.836
  233    HB2  ARG  31           HB2      ARG  31  10.068  -0.704  -4.882
  234    HB3  ARG  31           HB3      ARG  31  10.254  -0.691  -6.625
  235    HG2  ARG  31           HG2      ARG  31   7.765  -0.952  -6.771
  236    HG3  ARG  31           HG3      ARG  31   7.711  -0.684  -5.040
  237    HD2  ARG  31           HD2      ARG  31   7.279   1.350  -6.384
  238    HD3  ARG  31           HD3      ARG  31   8.629   1.492  -5.268
  239    HE   ARG  31           HE       ARG  31  10.083   1.072  -7.255
  240   HH11  ARG  31          HH11      ARG  31   6.844   2.346  -7.732
  241   HH12  ARG  31          HH12      ARG  31   7.283   3.255  -9.140
  242   HH21  ARG  31          HH21      ARG  31  10.646   2.243  -9.099
  243   HH22  ARG  31          HH22      ARG  31   9.450   3.195  -9.922
  244    H    CYS  32           H        CYS  32  10.152  -2.387  -3.308
  245    HA   CYS  32           HA       CYS  32  12.873  -3.452  -3.625
  246    HB2  CYS  32           HB2      CYS  32  13.557  -2.114  -1.720
  247    HB3  CYS  32           HB3      CYS  32  12.790  -1.087  -2.924
  248    H    GLU  33           H        GLU  33   9.875  -4.147  -2.343
  249    HA   GLU  33           HA       GLU  33   9.053  -5.804  -1.025
  250    HB2  GLU  33           HB2      GLU  33  11.780  -7.017  -1.513
  251    HB3  GLU  33           HB3      GLU  33  10.354  -7.883  -0.959
  252    HG2  GLU  33           HG2      GLU  33   9.232  -7.511  -3.029
  253    HG3  GLU  33           HG3      GLU  33  10.494  -6.411  -3.577
  254    H    SER  34           H        SER  34  10.178  -3.618   0.355
  255    HA   SER  34           HA       SER  34  11.771  -4.742   2.508
  256    HB2  SER  34           HB2      SER  34  12.714  -2.737   1.765
  257    HB3  SER  34           HB3      SER  34  11.153  -1.926   1.638
  258    HG   SER  34           HG       SER  34  12.843  -1.936   3.684
  259    H    GLY  35           H        GLY  35   8.881  -2.642   2.318
  260    HA2  GLY  35           HA2      GLY  35   6.909  -3.467   3.570
  261    HA3  GLY  35           HA3      GLY  35   8.041  -3.851   4.853
  262    H    PHE  36           H        PHE  36   9.522  -1.291   4.173
  263    HA   PHE  36           HA       PHE  36   8.175   0.470   5.946
  264    HB2  PHE  36           HB2      PHE  36  10.515   0.766   4.094
  265    HB3  PHE  36           HB3      PHE  36   9.838   2.175   4.899
  266    HD1  PHE  36           HD1      PHE  36  11.498  -1.071   5.441
  267    HD2  PHE  36           HD2      PHE  36  10.207   2.590   7.173
  268    HE1  PHE  36           HE1      PHE  36  12.827  -1.564   7.453
  269    HE2  PHE  36           HE2      PHE  36  11.532   2.109   9.192
  270    HZ   PHE  36           HZ       PHE  36  12.846   0.029   9.332
  271    H    ILE  37           H        ILE  37   6.065   0.700   5.123
  272    HA   ILE  37           HA       ILE  37   5.857   2.621   2.927
  273    HB   ILE  37           HB       ILE  37   3.899   1.410   2.020
  274   HG12  ILE  37          HG12      ILE  37   4.707  -0.640   4.073
  275   HG13  ILE  37          HG13      ILE  37   3.140   0.095   3.840
  276   HG21  ILE  37          HG21      ILE  37   5.931   1.160   0.860
  277   HG22  ILE  37          HG22      ILE  37   5.230  -0.456   0.981
  278   HG23  ILE  37          HG23      ILE  37   6.554   0.016   2.047
  279   HD11  ILE  37          HD11      ILE  37   2.876  -1.109   1.740
  280   HD12  ILE  37          HD12      ILE  37   3.141  -2.206   3.092
  281   HD13  ILE  37          HD13      ILE  37   4.455  -1.857   1.970
  282    H    GLU  38           H        GLU  38   4.006   3.933   2.993
  283    HA   GLU  38           HA       GLU  38   2.625   3.915   5.591
  284    HB2  GLU  38           HB2      GLU  38   3.516   6.165   3.826
  285    HB3  GLU  38           HB3      GLU  38   2.205   6.396   4.980
  286    HG2  GLU  38           HG2      GLU  38   3.847   5.483   6.722
  287    HG3  GLU  38           HG3      GLU  38   5.087   5.783   5.505
  288    H    GLU  39           H        GLU  39   0.520   3.664   5.623
  289    HA   GLU  39           HA       GLU  39  -0.976   3.327   3.199
  290    HB2  GLU  39           HB2      GLU  39  -1.198   2.031   5.402
  291    HB3  GLU  39           HB3      GLU  39  -2.063   3.426   6.014
  292    HG2  GLU  39           HG2      GLU  39  -2.915   1.987   3.529
  293    HG3  GLU  39           HG3      GLU  39  -3.417   1.464   5.133
  294    H    LEU  40           H        LEU  40  -1.856   4.930   2.118
  295    HA   LEU  40           HA       LEU  40  -1.804   7.594   3.247
  296    HB2  LEU  40           HB2      LEU  40  -2.517   6.663   0.479
  297    HB3  LEU  40           HB3      LEU  40  -2.294   8.331   0.961
  298    HG   LEU  40           HG       LEU  40  -0.154   6.206   0.959
  299   HD11  LEU  40          HD11      LEU  40  -0.648   8.527  -0.879
  300   HD12  LEU  40          HD12      LEU  40  -0.754   6.812  -1.277
  301   HD13  LEU  40          HD13      LEU  40   0.804   7.527  -0.870
  302   HD21  LEU  40          HD21      LEU  40   0.228   7.832   2.721
  303   HD22  LEU  40          HD22      LEU  40  -0.013   9.154   1.578
  304   HD23  LEU  40          HD23      LEU  40   1.375   8.081   1.405
  Start of MODEL   20
    1    H1   GLY  -1           H1       GLY  -1 -17.858   4.107   1.378
    2    H2   GLY  -1           H2       GLY  -1 -18.983   4.326   2.617
    3    H3   GLY  -1           H3       GLY  -1 -18.215   5.663   1.930
    4    HA2  GLY  -1           HA3      GLY  -1 -20.459   5.495   1.104
    5    HA3  GLY  -1           HA2      GLY  -1 -19.291   5.236  -0.183
    6    H    SER   0           H        SER   0 -22.109   4.333   0.160
    7    HA   SER   0           HA       SER   0 -22.133   1.551   0.657
    8    HB2  SER   0           HB2      SER   0 -24.056   3.226  -0.976
    9    HB3  SER   0           HB3      SER   0 -24.371   1.606  -0.350
   10    HG   SER   0           HG       SER   0 -23.929   2.572   1.780
   11    H    MET   1           H        MET   1 -21.958  -0.176  -0.659
   12    HA   MET   1           HA       MET   1 -21.329  -1.474  -2.392
   13    HB2  MET   1           HB2      MET   1 -22.216   0.912  -4.005
   14    HB3  MET   1           HB3      MET   1 -21.586  -0.548  -4.751
   15    HG2  MET   1           HG2      MET   1 -23.895  -0.795  -4.843
   16    HG3  MET   1           HG3      MET   1 -23.407  -1.789  -3.475
   17    HE1  MET   1           HE1      MET   1 -25.513   2.304  -3.185
   18    HE2  MET   1           HE2      MET   1 -25.210   1.435  -4.689
   19    HE3  MET   1           HE3      MET   1 -23.865   2.136  -3.788
   20    H    ALA   2           H        ALA   2 -19.620   0.903  -1.224
   21    HA   ALA   2           HA       ALA   2 -17.384   0.507  -3.101
   22    HB1  ALA   2           HB1      ALA   2 -17.943   2.934  -1.398
   23    HB2  ALA   2           HB2      ALA   2 -18.177   2.817  -3.143
   24    HB3  ALA   2           HB3      ALA   2 -16.555   2.715  -2.462
   25    H    GLU   3           H        GLU   3 -18.544   0.137   0.078
   26    HA   GLU   3           HA       GLU   3 -15.962   0.200   1.357
   27    HB2  GLU   3           HB2      GLU   3 -18.075   0.929   2.497
   28    HB3  GLU   3           HB3      GLU   3 -18.591  -0.750   2.488
   29    HG2  GLU   3           HG2      GLU   3 -16.583  -1.326   3.793
   30    HG3  GLU   3           HG3      GLU   3 -16.216   0.393   3.920
   31    H    ALA   4           H        ALA   4 -15.256  -1.477  -0.301
   32    HA   ALA   4           HA       ALA   4 -15.615  -4.140   0.916
   33    HB1  ALA   4           HB1      ALA   4 -16.592  -4.061  -1.329
   34    HB2  ALA   4           HB2      ALA   4 -15.193  -5.134  -1.274
   35    HB3  ALA   4           HB3      ALA   4 -15.044  -3.526  -1.984
   36    H    SER   5           H        SER   5 -13.700  -1.826   1.295
   37    HA   SER   5           HA       SER   5 -11.231  -3.354   0.937
   38    HB2  SER   5           HB2      SER   5 -10.091  -1.174   0.445
   39    HB3  SER   5           HB3      SER   5 -11.228  -1.687  -0.800
   40    HG   SER   5           HG       SER   5 -11.878   0.118   1.295
   41    HA   PRO   6           HA       PRO   6 -11.148  -2.166   5.376
   42    HB2  PRO   6           HB2      PRO   6  -9.394  -4.529   5.449
   43    HB3  PRO   6           HB3      PRO   6 -10.820  -4.171   6.426
   44    HG2  PRO   6           HG2      PRO   6 -10.842  -6.083   4.535
   45    HG3  PRO   6           HG3      PRO   6 -12.271  -5.092   4.885
   46    HD2  PRO   6           HD2      PRO   6 -10.303  -4.858   2.638
   47    HD3  PRO   6           HD3      PRO   6 -12.071  -4.681   2.611
   48    H    HIS   7           H        HIS   7  -8.820  -3.195   3.017
   49    HA   HIS   7           HA       HIS   7  -6.989  -1.087   3.922
   50    HB2  HIS   7           HB2      HIS   7  -5.150  -2.473   2.856
   51    HB3  HIS   7           HB3      HIS   7  -5.804  -3.116   4.346
   52    HD1  HIS   7           HD1      HIS   7  -5.851  -3.734   0.620
   53    HD2  HIS   7           HD2      HIS   7  -6.907  -5.633   4.162
   54    HE1  HIS   7           HE1      HIS   7  -6.428  -6.091  -0.022
   55    HE2  HIS   7           HE2      HIS   7  -7.206  -7.176   2.111
   56    HA   PRO   8           HA       PRO   8  -8.104   0.479  -0.008
   57    HB2  PRO   8           HB2      PRO   8  -6.305   2.520  -0.170
   58    HB3  PRO   8           HB3      PRO   8  -7.755   2.566   0.833
   59    HG2  PRO   8           HG2      PRO   8  -4.929   2.176   1.608
   60    HG3  PRO   8           HG3      PRO   8  -6.266   2.872   2.532
   61    HD2  PRO   8           HD2      PRO   8  -5.208   0.303   2.822
   62    HD3  PRO   8           HD3      PRO   8  -6.746   0.877   3.480
   63    H    GLY   9           H        GLY   9  -4.585   1.000   0.102
   64    HA2  GLY   9           HA2      GLY   9  -3.402  -0.920  -1.224
   65    HA3  GLY   9           HA3      GLY   9  -4.393  -0.279  -2.530
   66    H    ARG  10           H        ARG  10  -4.235   2.434  -1.657
   67    HA   ARG  10           HA       ARG  10  -1.814   3.253  -2.859
   68    HB2  ARG  10           HB2      ARG  10  -2.524   5.535  -2.014
   69    HB3  ARG  10           HB3      ARG  10  -3.660   4.712  -3.073
   70    HG2  ARG  10           HG2      ARG  10  -5.131   4.239  -1.340
   71    HG3  ARG  10           HG3      ARG  10  -3.905   4.495  -0.098
   72    HD2  ARG  10           HD2      ARG  10  -4.756   6.538   0.135
   73    HD3  ARG  10           HD3      ARG  10  -4.029   6.914  -1.423
   74    HE   ARG  10           HE       ARG  10  -6.290   6.022  -2.310
   75   HH11  ARG  10          HH11      ARG  10  -5.825   7.808   0.669
   76   HH12  ARG  10          HH12      ARG  10  -7.382   8.581   0.598
   77   HH21  ARG  10          HH21      ARG  10  -8.351   7.024  -2.400
   78   HH22  ARG  10          HH22      ARG  10  -8.814   8.144  -1.158
   79    H    TYR  11           H        TYR  11   0.051   2.817  -1.905
   80    HA   TYR  11           HA       TYR  11   0.408   3.728   0.869
   81    HB2  TYR  11           HB2      TYR  11   1.366   1.230  -0.465
   82    HB3  TYR  11           HB3      TYR  11   2.363   1.972   0.777
   83    HD1  TYR  11           HD1      TYR  11  -1.223   0.989   0.278
   84    HD2  TYR  11           HD2      TYR  11   2.110   1.235   2.904
   85    HE1  TYR  11           HE1      TYR  11  -2.523  -0.146   2.032
   86    HE2  TYR  11           HE2      TYR  11   0.836   0.107   4.659
   87    HH   TYR  11           HH       TYR  11  -1.382  -0.389   5.302
   88    H    PHE  12           H        PHE  12   2.650   4.318   1.366
   89    HA   PHE  12           HA       PHE  12   4.122   5.240  -1.003
   90    HB2  PHE  12           HB2      PHE  12   2.819   7.021   0.301
   91    HB3  PHE  12           HB3      PHE  12   4.015   6.791   1.574
   92    HD1  PHE  12           HD1      PHE  12   3.410   7.956  -1.817
   93    HD2  PHE  12           HD2      PHE  12   6.269   7.582   1.304
   94    HE1  PHE  12           HE1      PHE  12   4.901   9.520  -3.005
   95    HE2  PHE  12           HE2      PHE  12   7.770   9.148   0.129
   96    HZ   PHE  12           HZ       PHE  12   7.080  10.121  -2.027
   97    H    CYS  13           H        CYS  13   5.941   4.139  -1.072
   98    HA   CYS  13           HA       CYS  13   7.017   2.841   1.252
   99    HB2  CYS  13           HB2      CYS  13   7.167   1.637  -0.796
  100    HB3  CYS  13           HB3      CYS  13   7.896   3.002  -1.624
  101    H    HIS  14           H        HIS  14   8.606   3.486   2.535
  102    HA   HIS  14           HA       HIS  14   9.597   6.155   2.355
  103    HB2  HIS  14           HB2      HIS  14   9.970   3.860   4.228
  104    HB3  HIS  14           HB3      HIS  14  11.138   5.176   4.283
  105    HD1  HIS  14           HD1      HIS  14  10.418   6.105   6.535
  106    HD2  HIS  14           HD2      HIS  14   7.298   5.846   3.803
  107    HE1  HIS  14           HE1      HIS  14   8.509   7.366   7.570
  108    HE2  HIS  14           HE2      HIS  14   6.698   7.347   5.824
  109    H    CYS  15           H        CYS  15  10.807   3.041   1.426
  110    HA   CYS  15           HA       CYS  15  13.536   3.836   1.100
  111    HB2  CYS  15           HB2      CYS  15  13.039   1.515   1.483
  112    HB3  CYS  15           HB3      CYS  15  11.957   1.461   0.104
  113    HG   CYS  15           HG       CYS  15  15.266   1.069   0.226
  114    H    CYS  16           H        CYS  16  10.848   3.233  -1.121
  115    HA   CYS  16           HA       CYS  16  12.434   4.044  -3.397
  116    HB2  CYS  16           HB2      CYS  16   9.521   3.265  -3.213
  117    HB3  CYS  16           HB3      CYS  16  10.393   3.568  -4.705
  118    H    SER  17           H        SER  17  10.411   5.514  -1.153
  119    HA   SER  17           HA       SER  17   9.252   7.426  -0.946
  120    HB2  SER  17           HB2      SER  17  10.338   9.474  -1.763
  121    HB3  SER  17           HB3      SER  17  11.484   8.389  -0.983
  122    HG   SER  17           HG       SER  17  11.667   7.663  -3.409
  123    H    VAL  18           H        VAL  18   8.147   5.735  -2.780
  124    HA   VAL  18           HA       VAL  18   6.781   7.637  -4.541
  125    HB   VAL  18           HB       VAL  18   6.647   6.024  -6.352
  126   HG11  VAL  18          HG11      VAL  18   8.963   6.037  -7.108
  127   HG12  VAL  18          HG12      VAL  18   9.500   6.416  -5.471
  128   HG13  VAL  18          HG13      VAL  18   8.522   7.579  -6.370
  129   HG21  VAL  18          HG21      VAL  18   8.371   4.267  -4.620
  130   HG22  VAL  18          HG22      VAL  18   7.985   3.954  -6.310
  131   HG23  VAL  18          HG23      VAL  18   6.702   3.966  -5.100
  132    H    GLU  19           H        GLU  19   4.711   6.753  -5.321
  133    HA   GLU  19           HA       GLU  19   3.305   5.524  -3.104
  134    HB2  GLU  19           HB2      GLU  19   2.470   7.525  -4.461
  135    HB3  GLU  19           HB3      GLU  19   2.135   6.382  -5.754
  136    HG2  GLU  19           HG2      GLU  19   1.022   5.512  -3.230
  137    HG3  GLU  19           HG3      GLU  19   0.438   7.109  -3.696
  138    H    ILE  20           H        ILE  20   2.602   3.475  -3.048
  139    HA   ILE  20           HA       ILE  20   2.991   1.763  -5.416
  140    HB   ILE  20           HB       ILE  20   3.970   0.017  -3.938
  141   HG12  ILE  20          HG12      ILE  20   4.813   1.868  -1.859
  142   HG13  ILE  20          HG13      ILE  20   3.067   1.660  -1.900
  143   HG21  ILE  20          HG21      ILE  20   6.208   1.028  -3.728
  144   HG22  ILE  20          HG22      ILE  20   5.501   2.607  -4.072
  145   HG23  ILE  20          HG23      ILE  20   5.461   1.335  -5.294
  146   HD11  ILE  20          HD11      ILE  20   5.133  -0.502  -1.613
  147   HD12  ILE  20          HD12      ILE  20   3.396  -0.777  -1.765
  148   HD13  ILE  20          HD13      ILE  20   4.033   0.095  -0.369
  149    H    VAL  21           H        VAL  21   1.990  -0.340  -5.188
  150    HA   VAL  21           HA       VAL  21  -0.142  -0.459  -3.159
  151    HB   VAL  21           HB       VAL  21  -1.205  -0.436  -5.288
  152   HG11  VAL  21          HG11      VAL  21   0.714  -2.584  -6.170
  153   HG12  VAL  21          HG12      VAL  21   0.749  -0.891  -6.665
  154   HG13  VAL  21          HG13      VAL  21  -0.610  -1.919  -7.129
  155   HG21  VAL  21          HG21      VAL  21  -2.131  -2.074  -3.775
  156   HG22  VAL  21          HG22      VAL  21  -0.984  -3.288  -4.341
  157   HG23  VAL  21          HG23      VAL  21  -2.228  -2.674  -5.430
  158    HA   PRO  22           HA       PRO  22   2.849  -3.329  -1.527
  159    HB2  PRO  22           HB2      PRO  22   0.695  -3.916   0.409
  160    HB3  PRO  22           HB3      PRO  22   2.337  -3.347   0.693
  161    HG2  PRO  22           HG2      PRO  22   0.264  -1.712   0.988
  162    HG3  PRO  22           HG3      PRO  22   1.785  -1.138   0.280
  163    HD2  PRO  22           HD2      PRO  22  -0.766  -1.902  -1.086
  164    HD3  PRO  22           HD3      PRO  22   0.311  -0.525  -1.397
  165    H    ARG  23           H        ARG  23   3.255  -5.467  -1.562
  166    HA   ARG  23           HA       ARG  23   1.357  -7.299  -2.688
  167    HB2  ARG  23           HB2      ARG  23   4.003  -7.820  -1.301
  168    HB3  ARG  23           HB3      ARG  23   3.081  -9.008  -2.205
  169    HG2  ARG  23           HG2      ARG  23   3.387  -7.681  -4.244
  170    HG3  ARG  23           HG3      ARG  23   4.344  -6.517  -3.327
  171    HD2  ARG  23           HD2      ARG  23   5.921  -8.337  -2.758
  172    HD3  ARG  23           HD3      ARG  23   4.995  -9.426  -3.785
  173    HE   ARG  23           HE       ARG  23   5.663  -7.250  -5.357
  174   HH11  ARG  23          HH11      ARG  23   7.324  -9.791  -3.626
  175   HH12  ARG  23          HH12      ARG  23   8.711  -9.772  -4.667
  176   HH21  ARG  23          HH21      ARG  23   7.504  -7.207  -6.729
  177   HH22  ARG  23          HH22      ARG  23   8.817  -8.302  -6.429
  178    H    LEU  24           H        LEU  24  -0.377  -7.754  -1.491
  179    HA   LEU  24           HA       LEU  24  -0.638  -7.013   1.150
  180    HB2  LEU  24           HB2      LEU  24  -2.271  -8.013  -0.900
  181    HB3  LEU  24           HB3      LEU  24  -2.593  -8.963   0.532
  182    HG   LEU  24           HG       LEU  24  -4.084  -7.010   0.306
  183   HD11  LEU  24          HD11      LEU  24  -3.627  -7.970   2.502
  184   HD12  LEU  24          HD12      LEU  24  -3.869  -6.225   2.596
  185   HD13  LEU  24          HD13      LEU  24  -2.240  -6.896   2.680
  186   HD21  LEU  24          HD21      LEU  24  -1.584  -5.395   0.776
  187   HD22  LEU  24          HD22      LEU  24  -3.231  -4.774   0.651
  188   HD23  LEU  24          HD23      LEU  24  -2.455  -5.504  -0.753
  189    HA   PRO  25           HA       PRO  25  -0.442 -11.817   2.341
  190    HB2  PRO  25           HB2      PRO  25   1.820 -12.393   0.487
  191    HB3  PRO  25           HB3      PRO  25   0.556 -13.474   1.079
  192    HG2  PRO  25           HG2      PRO  25   0.412 -12.527  -1.368
  193    HG3  PRO  25           HG3      PRO  25  -1.047 -12.564  -0.357
  194    HD2  PRO  25           HD2      PRO  25   0.730 -10.253  -1.041
  195    HD3  PRO  25           HD3      PRO  25  -1.036 -10.323  -0.930
  196    H    ASP  26           H        ASP  26   2.253  -9.728   1.431
  197    HA   ASP  26           HA       ASP  26   3.577 -10.478   3.960
  198    HB2  ASP  26           HB2      ASP  26   4.756  -9.692   1.309
  199    HB3  ASP  26           HB3      ASP  26   5.692  -9.606   2.797
  200    H    TYR  27           H        TYR  27   2.031  -8.013   2.310
  201    HA   TYR  27           HA       TYR  27   1.782  -5.783   2.558
  202    HB2  TYR  27           HB2      TYR  27   2.375  -6.735   5.291
  203    HB3  TYR  27           HB3      TYR  27   2.566  -5.007   5.026
  204    HD1  TYR  27           HD2      TYR  27   0.426  -4.329   3.201
  205    HD2  TYR  27           HD1      TYR  27   0.404  -7.058   6.466
  206    HE1  TYR  27           HE2      TYR  27  -1.996  -4.006   3.447
  207    HE2  TYR  27           HE1      TYR  27  -2.021  -6.739   6.719
  208    HH   TYR  27           HH       TYR  27  -3.703  -4.830   6.112
  209    H    ILE  28           H        ILE  28   4.164  -6.558   1.318
  210    HA   ILE  28           HA       ILE  28   6.059  -4.551   2.322
  211    HB   ILE  28           HB       ILE  28   7.737  -5.744   0.842
  212   HG12  ILE  28          HG12      ILE  28   5.657  -7.938   0.961
  213   HG13  ILE  28          HG13      ILE  28   6.057  -7.015  -0.479
  214   HG21  ILE  28          HG21      ILE  28   8.198  -7.460   2.524
  215   HG22  ILE  28          HG22      ILE  28   6.590  -7.222   3.205
  216   HG23  ILE  28          HG23      ILE  28   7.774  -5.915   3.259
  217   HD11  ILE  28          HD11      ILE  28   8.326  -7.903  -0.420
  218   HD12  ILE  28          HD12      ILE  28   7.126  -9.194  -0.491
  219   HD13  ILE  28          HD13      ILE  28   7.929  -8.818   1.034
  220    H    CYS  29           H        CYS  29   7.614  -4.123   0.237
  221    HA   CYS  29           HA       CYS  29   5.954  -2.462  -1.475
  222    HB2  CYS  29           HB2      CYS  29   8.025  -1.630  -0.350
  223    HB3  CYS  29           HB3      CYS  29   8.960  -2.778  -1.283
  224    HA   PRO  30           HA       PRO  30   6.272  -5.421  -4.782
  225    HB2  PRO  30           HB2      PRO  30   5.416  -3.883  -6.831
  226    HB3  PRO  30           HB3      PRO  30   4.318  -4.480  -5.582
  227    HG2  PRO  30           HG2      PRO  30   5.525  -1.774  -5.913
  228    HG3  PRO  30           HG3      PRO  30   3.903  -2.219  -5.358
  229    HD2  PRO  30           HD2      PRO  30   5.995  -1.496  -3.710
  230    HD3  PRO  30           HD3      PRO  30   4.591  -2.457  -3.195
  231    H    ARG  31           H        ARG  31   7.920  -2.421  -4.629
  232    HA   ARG  31           HA       ARG  31   9.626  -2.996  -6.900
  233    HB2  ARG  31           HB2      ARG  31  10.092  -0.720  -5.024
  234    HB3  ARG  31           HB3      ARG  31  10.362  -0.806  -6.755
  235    HG2  ARG  31           HG2      ARG  31   7.657  -1.096  -6.568
  236    HG3  ARG  31           HG3      ARG  31   8.011   0.013  -5.249
  237    HD2  ARG  31           HD2      ARG  31   7.574   1.292  -7.208
  238    HD3  ARG  31           HD3      ARG  31   9.287   1.411  -6.838
  239    HE   ARG  31           HE       ARG  31   8.777  -0.687  -8.686
  240   HH11  ARG  31          HH11      ARG  31   9.073   2.789  -8.451
  241   HH12  ARG  31          HH12      ARG  31   9.506   2.997 -10.115
  242   HH21  ARG  31          HH21      ARG  31   9.366  -0.422 -10.880
  243   HH22  ARG  31          HH22      ARG  31   9.677   1.168 -11.499
  244    H    CYS  32           H        CYS  32  10.114  -2.330  -3.389
  245    HA   CYS  32           HA       CYS  32  12.781  -3.516  -3.745
  246    HB2  CYS  32           HB2      CYS  32  13.617  -2.088  -1.998
  247    HB3  CYS  32           HB3      CYS  32  12.774  -1.101  -3.184
  248    H    GLU  33           H        GLU  33   9.836  -4.128  -2.346
  249    HA   GLU  33           HA       GLU  33   9.048  -5.656  -0.858
  250    HB2  GLU  33           HB2      GLU  33  11.752  -6.903  -1.362
  251    HB3  GLU  33           HB3      GLU  33  10.384  -7.714  -0.618
  252    HG2  GLU  33           HG2      GLU  33   9.117  -7.583  -2.634
  253    HG3  GLU  33           HG3      GLU  33  10.336  -6.556  -3.389
  254    H    SER  34           H        SER  34  10.063  -3.410   0.379
  255    HA   SER  34           HA       SER  34  11.878  -4.234   2.480
  256    HB2  SER  34           HB2      SER  34  12.442  -2.124   1.649
  257    HB3  SER  34           HB3      SER  34  10.762  -1.604   1.558
  258    HG   SER  34           HG       SER  34  12.501  -1.199   3.518
  259    H    GLY  35           H        GLY  35   8.690  -2.620   2.399
  260    HA2  GLY  35           HA2      GLY  35   6.912  -3.519   3.826
  261    HA3  GLY  35           HA3      GLY  35   8.162  -3.814   5.023
  262    H    PHE  36           H        PHE  36   9.487  -1.250   4.387
  263    HA   PHE  36           HA       PHE  36   8.054   0.447   6.167
  264    HB2  PHE  36           HB2      PHE  36  10.537   0.732   4.520
  265    HB3  PHE  36           HB3      PHE  36   9.815   2.160   5.251
  266    HD1  PHE  36           HD2      PHE  36  10.625  -1.339   6.293
  267    HD2  PHE  36           HD1      PHE  36  10.708   2.809   7.227
  268    HE1  PHE  36           HE2      PHE  36  11.734  -1.851   8.430
  269    HE2  PHE  36           HE1      PHE  36  11.813   2.308   9.370
  270    HZ   PHE  36           HZ       PHE  36  12.328  -0.023   9.973
  271    H    ILE  37           H        ILE  37   6.025   0.680   5.221
  272    HA   ILE  37           HA       ILE  37   5.923   2.600   3.012
  273    HB   ILE  37           HB       ILE  37   3.952   1.390   2.092
  274   HG12  ILE  37          HG12      ILE  37   4.781  -0.669   4.138
  275   HG13  ILE  37          HG13      ILE  37   3.213   0.080   3.945
  276   HG21  ILE  37          HG21      ILE  37   6.029   1.161   0.965
  277   HG22  ILE  37          HG22      ILE  37   5.296  -0.443   1.041
  278   HG23  ILE  37          HG23      ILE  37   6.607  -0.019   2.143
  279   HD11  ILE  37          HD11      ILE  37   4.472  -1.840   2.003
  280   HD12  ILE  37          HD12      ILE  37   2.868  -1.120   1.868
  281   HD13  ILE  37          HD13      ILE  37   3.225  -2.236   3.185
  282    H    GLU  38           H        GLU  38   4.032   3.887   2.960
  283    HA   GLU  38           HA       GLU  38   2.684   4.050   5.565
  284    HB2  GLU  38           HB2      GLU  38   3.419   6.202   3.607
  285    HB3  GLU  38           HB3      GLU  38   2.375   6.467   4.998
  286    HG2  GLU  38           HG2      GLU  38   5.256   5.611   5.035
  287    HG3  GLU  38           HG3      GLU  38   4.598   7.170   5.508
  288    H    GLU  39           H        GLU  39   0.538   3.816   5.593
  289    HA   GLU  39           HA       GLU  39  -0.880   3.462   3.097
  290    HB2  GLU  39           HB2      GLU  39  -1.214   1.981   5.092
  291    HB3  GLU  39           HB3      GLU  39  -1.942   3.339   5.927
  292    HG2  GLU  39           HG2      GLU  39  -3.110   2.687   3.306
  293    HG3  GLU  39           HG3      GLU  39  -3.317   1.471   4.565
  294    H    LEU  40           H        LEU  40  -1.716   5.098   2.052
  295    HA   LEU  40           HA       LEU  40  -1.708   7.716   3.237
  296    HB2  LEU  40           HB2      LEU  40  -2.504   6.819   0.476
  297    HB3  LEU  40           HB3      LEU  40  -2.298   8.485   0.976
  298    HG   LEU  40           HG       LEU  40  -0.104   6.408   0.891
  299   HD11  LEU  40          HD11      LEU  40  -0.695   8.718  -0.940
  300   HD12  LEU  40          HD12      LEU  40  -0.828   7.001  -1.329
  301   HD13  LEU  40          HD13      LEU  40   0.751   7.708  -0.989
  302   HD21  LEU  40          HD21      LEU  40  -0.014   9.364   1.474
  303   HD22  LEU  40          HD22      LEU  40   1.389   8.317   1.276
  304   HD23  LEU  40          HD23      LEU  40   0.285   8.063   2.626