*HEADER    TOXIN                                   17-AUG-99   1C49              
*TITLE     STRUCTURAL AND FUNCTIONAL DIFFERENCES OF TWO TOXINS FROM              
*TITLE    2 THE SCORPION PANDINUS IMPERATOR                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TOXIN K-BETA;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: COMPLETE PEPTIDE;                                          
*COMPND   5 SYNONYM: PITX-KB, ALPHA-KTX5.2;                                      
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PANDINUS IMPERATOR;                             
*SOURCE   3 ORGANISM_COMMON: EMPEROR SCORPION;                                   
*SOURCE   4 TISSUE: VENOM;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PSR9                                      
*KEYWDS    SCORPION TOXIN, POTASSIUM CHANNELS BLOCKERS, ALPHA-K TOXIN            
*KEYWDS   2 FAMILY, NEUROTOXIN, NMR SOLUTION STRUCTURE                           
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    K.C.KLENK, T.C.TENENHOLZ, D.R.MATTESON, R.S.ROGOWSKI,                 
*AUTHOR   2 M.P.BLAUSTEIN, D.J.WEBER                                             
*REVDAT   1   22-MAR-00 1C49    0   

!!  pandinusb_noe.tbl (taken from  Pandinus 88.tbl)

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!                                   Secondary Structure NOE's, by spin system
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Thr1
        ! Medium Range NOE's
!Ile2  (8.54 ppm)
        ! Sequential NOE's
                assign (resid 2 and name hn) (resid 1 and name ha) 1.8 0 1.5 {m,8.54x4.13,p,0,11/22}
                assign (resid 2 and name hn) (resid 1 and name hb) 1.8 0 1.0 {s,8.54x3.94,p,0,11/22}
                assign (resid 2 and name hn) (resid 1 and name hg*) 1.8 0 2.5 {m,8.54x1.28,p,1,11/25}
        ! Medium Range NOE's
!Ser3  (8.28 ppm)
        ! Sequential NOE's
                assign (resid 3 and name hn) (resid 2 and name ha) 1.8 0 1.0 {s,8.28x4.31,p,0,10/15}
                assign (resid 3 and name hn) (resid 2 and name hb) 1.8 0 1.5 {m,8.28x1.63,p,0,11/25}
                assign (resid 3 and name hn) (resid 2 and name hd*) 1.8 0 5.2 {vw,8.28x0.62,p,1,11/25}
                assign (resid 3 and name hn) (resid 2 and name hg2*) 1.8 0 2.5 {m,8.28x0.66,p,1,01/14}
                assign (resid 3 and name hn) (resid 2 and name hg1*) 1.8 0 5.2 {vw,8.28x1.07&.82,ltn,1,01/15}
                assign (resid 3 and name hn) (resid 1 and name hg2*) 1.8 0 5.2 {vw,8.28x1.28,p,1,5/03 TT}
        ! Medium Range NOE's 
!Cys4  (7.89 ppm)
        ! Sequential NOE's
                assign (resid 4 and name hn) (resid 3 and name ha) 1.8 0 1.5 {m,7.89x5.01,p,0,10/15}
                assign (resid 4 and name hn) (resid 3 and name hb*) 1.8 0 4.2 {w,7.88x3.88&3.82,p,1,10/15}
        ! Medium Range NOE's
                assign (resid 4 and name hn) (resid 2 and name hg2*) 1.8 0 5.2 {vw,7.88x0.66,ltn,1,01/15}
!Thr5  (9.34 ppm)
        ! Sequential NOE's
                assign (resid 5 and name hn) (resid 4 and name ha) 1.8 0 1.0 {s,9.34x4.86,p,0,10/15}
                assign (resid 5 and name hn) (resid 4 and name hb2) 1.8 0 1.5 {m,9.33x3.33,p,1,10/15}
                assign (resid 5 and name hg2*) (resid 4 and name ha) 1.8 0 5.2 {vw,1.17x4.86,ltn,1,01/10}
                assign (resid 5 and name hg2*) (resid 4 and name hn) 1.8 0 5.2 {vw,7.89x1.15,p,1,5/03 TT}
                assign (resid 5 and name hg2*) (resid 6 and name hd2*) 1.8 0 6.2 {vw,7.49x1.16,p,2,5/03 TT}
        ! Medium Range NOE's
!Asn6  (7.87 ppm)
        ! Sequential NOE's
                assign (resid 6 and name hn) (resid 5 and name hn) 1.8 0 1.0 {s,9.34x7.87,p,0,10/15}
                assign (resid 6 and name hn) (resid 5 and name ha) 1.8 0 4.2 {vw,7.87x4.38,p,0,10/15}
                assign (resid 6 and name hn) (resid 5 and name hb) 1.8 0 4.2 {vw,7.87x4.31,p,0,11/25}
                assign (resid 6 and name hn) (resid 5 and name hg2*) 1.8 0 5.2 {vw,7.87x1.17,p,1,11/25}
        !Medium Range NOE's
                assign (resid 9 and name hb2) (resid 6 and name hn) 1.8 0 3.2 {w,7.87x2.26,5/5 r ltn,1,01/17}
!Glu7  (9.03 ppm)
        ! Sequential NOE's
                assign (resid 7 and name hn) (resid 6 and name ha) 1.8 0 1.0 {s,9.03x4.80,p,0,10/15}
                assign (resid 7 and name hn) (resid 6 and name hb*) 1.8 0 2.5 {m,9.03x2.87&2.76,p,0,10/15}
                assign (resid 7 and name ha) (resid 6 and name ha) 1.8 0 4.2 {vw,3.69x4.80,ltn,0,01/17}
        ! Medium Range NOE's
!Lys8  (8.03 ppm)
        ! Sequential NOE's              
                assign (resid 8 and name hn) (resid 7 and name hn) 1.8 0 1.0 {s,8.03x9.03,p,0,10/15}
                assign (resid 8 and name hn) (resid 7 and name hb*) 1.8 0 4.2 {w,8.03x2.13&2.25,p,1,11/25}
                assign (resid 8 and name hn) (resid 7 and name hg*) 1.8 0 4.2 {w,8.03x2.34,p,1,10/25}
                assign (resid 8 and name hn) (resid 7 and name ha) 1.8 0 3.2 {w,8.03x3.69,p,0,12/02}
        ! Medium Range NOE's
                assign (resid 8 and name hn) (resid 6 and name ha) 1.8 0 4.2 {vw,8.03x4.80,w,0,10/16}
                assign (resid 8 and name hn) (resid 6 and name hb*) 1.8 0 5.2 {vw,8.03x2.76&2.87,p,0,11/25}
!Gln9  (7.33 ppm)
        ! Sequential NOE's
                assign (resid 9 and name hn) (resid 8 and name hn) 1.8 0 1.0 {s,7.33x8.03,p,0,10/15}
                assign (resid 9 and name hn) (resid 8 and name hb1) 1.8 0 3.2 {w,7.33x1.68,5/3 r,p,0,10/15}
                assign (resid 9 and name hn) (resid 8 and name hb2) 1.8 0 3.2 {w,7.33x1.60,4/2 r,p,0,10/15}
                assign (resid 9 and name hn) (resid 8 and name ha) 1.8 0 3.2 {w,7.33x2.65,p,0,12/02}
        ! Medium Range NOE's
                assign (resid 9 and name hn) (resid 7 and name ha) 1.8 0 4.2 {vw,7.33x3.69,p,0,10/16}
                assign (resid 9 and name hn) (resid 6 and name ha) 1.8 0 4.2 {vw,7.88x4.80,p,0,01/20}
                assign (resid 9 and name he2*) (resid 5 and name hg*) 1.8 0 6.2 {vw,7.44&6.77x1.17,p,2,01/21}
                assign (resid 9 and name he2*) (resid 5 and name hn) 1.8 0 5.2 {vw,7.44&6.77x7.87,p,1,01/21}
                assign (resid 9 and name hb*) (resid 5 and name hn) 1.8 0 5.2 {vw,9.43x2.21,ltn,1,4/24 TT}
                assign (resid 9 and name he2*) (resid 6 and name hb1) 1.8 0 5.2 {vw,7.44x2.74,p,1,04/08}
                assign (resid 9 and name he2*) (resid 6 and name hb2) 1.8 0 5.2 {vw,7.44x2.86,p,1,04/08}
!Cys10 (7.75 ppm)
        !Sequential NOE's
                assign (resid 10 and name hn) (resid 9 and name hn) 1.8 0 1.0 {s,7.75x7.33,p,0,10/15}
                assign (resid 10 and name hn) (resid 9 and name ha) 1.8 0 3.2 {w,7.75x4.34,p,0,10/15}
                assign (resid 10 and name hn) (resid 9 and name hb2) 1.8 0 3.2 {w,7.75x2.26,p,0,10/15}
                assign (resid 10 and name hn) (resid 11 and name hb2) 1.8 0 3.2 {w,overlapped,p,0,2/15}
        !Medium Range NOE's
                assign (resid 10 and name hn) (resid 7 and name ha) 1.8 0 3.2 {w,7.75x3.69,p,0,10/16}
                assign (resid 10 and name hb*) (resid 7 and name ha) 1.8 0 4.2 {w,3.02x3.69,p,1,11/26}
                assign (resid 10 and name hn) (resid 8 and name ha) 1.8 0 3.2 {w,7.75x2.65,p,0,11/22}
                assign (resid 10 and name hn) (resid 8 and name hn) 1.8 0 4.2 {vw,7.75x8.03,ltn,01/09}  
                assign (resid 10 and name hn) (resid 12 and name hd2) 1.8 0 3.2 {w,overlapped,,02/15}
!Tyr11 (7.28 ppm)
        !Sequential NOE's
                assign (resid 11 and name hn) (resid 10 and name hn) 1.8 0 1.0 {s,7.28x7.75,p,0,10/15}
                assign (resid 11 and name hn) (resid 10 and name ha) 1.8 0 4.2 {vw,7.28x4.57,p,0,10/15}
                assign (resid 11 and name hn) (resid 10 and name hb*) 1.8 0 4.2 {w,7.28x3.02,p,1,10/15}
                assign (resid 11 and name hd*) (resid 10 and name hb*) 1.8 0 7.5 {vw,7.19x3.02,p,1+2.3,11/26}
                assign (resid 11 and name hd*) (resid 10 and name hn) 1.8 0 6.5 {vw,7.19x7.75,ltn,2.3,01/17}
        !Medium Range NOE's
                assign (resid 11 and name hn) (resid 9 and name ha) 1.8 0 4.2 {vw,7.28x4.03,p,0,10/17}
                assign (resid 11 and name hd*) (resid 9 and name hn) 1.8 0 6.5 {vw,7.19x7.33,ltn,2.3,01/14}
                assign (resid 11 and name hn) (resid 8 and name ha) 1.8 0 3.2 {w,7.28x2.65,p,0,11/18}
                assign (resid 11 and name hn) (resid 12 and name hg2) 1.8 0 3.2 {w,not on roesy,p,0,02/15}
                assign (resid 11 and name hd*) (resid 8 and name ha) 1.8 0 3.8 {m,7.19x2.65,p,2.3,12/04}
                assign (resid 11 and name he*) (resid 8 and name hn) 1.8 0 6.5 {vw,6.85x8.03,ltn,2.3,01/14}
                assign (resid 11 and name he*) (resid 8 and name ha) 1.8 0 5.5 {w,6.85x2.65,p,2.3,11/26}
                assign (resid 11 and name he*) (resid 8 and name hg*) 1.8 0 6.5 {w,6.85x1.32,p,1+2.3,11/26}
                assign (resid 11 and name he*) (resid 8 and name hd*) 1.8 0 7.5 {vw,6.85x1.38,p,1+2.3,02/10}
                assign (resid 11 and name he*) (resid 8 and name hb2) 1.8 0 6.5 {vw,6.85x1.60,4/2 r ltn,2.3,01/13}
                assign (resid 11 and name he*) (resid 7 and name hg*) 1.8 0 6.5 {w,6,85x2.34,p,1+2.3,12/09}
                assign (resid 11 and name he*) (resid 7 and name hb*) 1.8 0 6.5 {w,6.85x2.13&2.25,p,1+2.3,12/09}
!Pro12
        !Sequential NOE's
                assign (resid 12 and name hd*) (resid 11 and name hn) 1.8 0 2.5 {m,3.77&3.87x7.28,p,1,11/18}
                assign (resid 12 and name hd*) (resid 11 and name hb2) 1.8 0 4.2 {w,3.77&3.87x3.39,p,2,11/26}
                assign (resid 12 and name hd*) (resid 11 and name hb1) 1.8 0 5.2 {vw,3.77&3.87x3.21,p,2,11/26}
                assign (resid 12 and name hd*) (resid 11 and name hd*) 1.8 0 7.5 {vw,7.19x3.87&3.77,p,1+2.3,12/09}
        !Medium Range NOE's
!His13 (7.76 ppm)
        !Sequential NOE's
                assign (resid 13 and name hn) (resid 12 and name ha) 1.8 0 3.2 {w,7.76x4.31,p,0,10/15}
                assign (resid 13 and name hn) (resid 12 and name hb*) 1.8 0 4.2 {w,7.76x1.84&2.34,p,1,11/25}
                assign (resid 13 and name hn) (resid 12 and name hg*) 1.8 0 4.2 {w,7.76x2.07,p,1,12/05}
                assign (resid 13 and name hn) (resid 12 and name hd*) 1.8 0 4.2 {w,7.76x3.77&3.87,p,1,11/18}
        !Medium Range NOE's
                assign (resid 13 and name hd2) (resid 10 and name hb*) 1.8 0 5.2 {vw,x3.02,ltn,1,01/09}
                assign (resid 13 and name hn) (resid 10 and name ha) 1.8 0 3.2 {w,7.76x4.57,ltn,0,01/18}
                assign (resid 13 and name hd2) (resid 10 and name ha) 1.8 0 4.2 {vw,x4.57,ltn,0,01/09}
                assign (resid 13 and name hb*) (resid 10 and name ha) 1.8 0 5.2 {vw, 3.28&3.41x4.57,ltn,1,01/14}
                assign (resid 13 and name hd2) (resid 12 and name hg*) 1.8 0 5.2 {vw,7.11x2.05,p,1,5/03 TT}
!Cys14 (8.69 ppm)
        !Sequential NOE's
                assign (resid 14 and name hn) (resid 13 and name hn) 1.8 0 1.0 {s,8.69x7.76,p,0,10/15}
                assign (resid 14 and name hn) (resid 13 and name ha) 1.8 0 3.2 {w,8.69x4.39,p,0,10/15}
                assign (resid 14 and name hn) (resid 13 and name hb*) 1.8 0 2.5 {m,8.69x3.41&3.28,p,1,10/15}
                assign (resid 14 and name ha) (resid 13 and name hd2) 1.8 0 4.2 {vw,4.60x,ltn,0,01/09}
        !Medium Range NOE's
                assign (resid 14 and name hn) (resid 11 and name ha) 1.8 0 4.2 {vw,8.69x5.11,p,0,10/16}
                assign (resid 14 and name hb1) (resid 11 and name ha) 1.8 0 4.2 {vw,3.50x5.11,p,0,12/03}
                assign (resid 14 and name hb2) (resid 11 and name ha) 1.8 0 3.2 {w,2.92x5.11,p,0,12/03}
!Lys15 (8.89 ppm)
        !Sequential NOE's
                assign (resid 15 and name hn) (resid 14 and name hn) 1.8 0 1.0 {s,8.89x8.69,p,0,10/15}
                assign (resid 15 and name hn) (resid 14 and name ha) 1.8 0 3.2 {w,8.89x4.60,p,0,10/15}
                assign (resid 15 and name hn) (resid 14 and name hb2) 1.8 0 3.2 {w,8.89x2.92,p,0,10/15}
        !Medium Range NOE's
                assign (resid 15 and name hn) (resid 13 and name hn) 1.8 0 4.2 {vw,8.89x7.76,p,0,10/31}
                assign (resid 15 and name hn) (resid 12 and name ha) 1.8 0 3.2 {w, 8.89x4.31,p,0,11/21}
                assign (resid 15 and name hb*) (resid 12 and name ha) 1.8 0 4.2 {w,1.46&1.87x4.31,p,1,11/26}
                assign (resid 15 and name hn) (resid 11 and name ha) 1.8 0 4.2 {vw,8.89x5.11,p,0,10/17}
!Lys16 (7.62 ppm)
        !Sequential NOE's
                assign (resid 16 and name hn) (resid 15 and name hn) 1.8 0 1.0 {s,7.62x8.89,p,0,10/15}
                assign (resid 16 and name hn) (resid 15 and name ha) 1.8 0 3.2 {w,7.62x3.59,p,0,10/15}
                assign (resid 16 and name hn) (resid 15 and name hb*) 1.8 0 2.5 {m,7.62x1.46&1.87,p,1,11/25}
        !Medium Range NOE's
                assign (resid 16 and name hn) (resid 12 and name ha) 1.8 0 4.2 {vw,7.62x4.31,p,0,11/19}
                assign (resid 16 and name hn) (resid 13 and name ha) 1.8 0 3.2 {w,7.62x4.39,p,0,10/17}
                assign (resid 16 and name hb*) (resid 13 and name ha) 1.8 0 4.2 {w,1.93x4.39,p,1,12/02}
!Glu17 (7.93 ppm)
        !Sequential NOE's
                assign (resid 17 and name hn) (resid 16 and name hn) 1.8 0 1.0 {s,7.93x7.62,p,0,10/15}
                assign (resid 17 and name hn) (resid 16 and name ha) 1.8 0 3.2 {w,7.93x4.00,p,0,11/18}
                assign (resid 17 and name hn) (resid 16 and name hb*) 1.8 0 4.2 {w,7.93x1.93,p,1,12/09}
        !Medium Range NOE's
                assign (resid 17 and name hn) (resid 13 and name ha) 1.8 0 4.2 {vw,7.93x4.39,p,0,10/17} 
                assign (resid 17 and name hn) (resid 14 and name ha) 1.8 0 3.2 {w,7.93x4.60,p,0,11/21}
                assign (resid 17 and name hb*) (resid 14 and name ha) 1.8 0 5.2 {vw,1.97&2.13x4.60,ltn,1,01/10}
!Thr18 (8.42 ppm)
        !Sequential NOE's
                assign (resid 18 and name hn) (resid 17 and name hn) 1.8 0 1.0 {s,8.42x7.93,p,0,10/15}
                assign (resid 18 and name hn) (resid 17 and name ha) 1.8 0 3.2 {w,8.42x4.20,p,0,10/15}
                assign (resid 18 and name hn) (resid 17 and name hb*) 1.8 0 3.2 {w,8.42x1.97x2.13,p,1,10/15}
                assign (resid 18 and name hg2*) (resid 17 and name ha) 1.8 0 5.2 {vw,1.25x4.20,ltn,1,01/17}
                assign (resid 18 and name hg2*) (resid 17 and name hb*) 1.8 0 5.2 {w,1.25x1.97&2.13,ltn,2,01/17}
                assign (resid 18 and name hg2*) (resid 17 and name hg*) 1.8 0 6.2 {vw,1.25x2.32&2.22,ltn,2,01/17}
        !Medium Range NOE's
                assign (resid 18 and name hn) (resid 14 and name ha) 1.8 0 4.2 {vw,8.42x4.60,w,0,11/18}
                assign (resid 18 and name hg2*) (resid 14 and name ha) 1.8 0 4.2 {w,1.25x4.60,ltn,1,01/17}
                assign (resid 18 and name hn) (resid 15 and name ha) 1.8 0 3.2 {w,8.42x3.59,p,0,10/16}
!Gly19 (7.92 ppm)
        !Sequential NOE's
                assign (resid 19 and name hn) (resid 18 and name hn) 1.8 0 1.0 {s,7.92x8.42,p,0,10/15}
                assign (resid 19 and name hn) (resid 18 and name ha) 1.8 0 4.2 {vw,7.92x4.78,p,0,10/15}
                assign (resid 19 and name hn) (resid 18 and name hg2*) 1.8 0 5.2 {vw,7.92x1.25,p,1,12/10}
        !Medium Range NOE's
                assign (resid 19 and name hn) (resid 16 and name ha) 1.8 0 3.2 {w,,TT,0,02/13}
!Tyr20 (8.25 ppm)
        !Sequential NOE's
                assign (resid 20 and name hn) (resid 19 and name hn) 1.8 0 1.5 {m,8.25x7.92,p,0,10/15}
                assign (resid 20 and name hn) (resid 19 and name ha*) 1.8 0 2.5 {m,8.25x3.57&4.23,p,1,10/15}
                assign (resid 20 and name hd*) (resid 19 and name ha*) 1.8 0 7.5 {vw,x3.57&4.23,p,2.3+1,12/03}
        !Medium Range NOE's
                assign (resid 20 and name hn) (resid 15 and name ha) 1.8 0 3.2 {w,8.25x3.59,p,0,12/18}
                assign (resid 20 and name hn) (resid 18 and name hn) 1.8 0 3.2 {w,,p,0,02/15}
                assign (resid 20 and name hn) (resid 18 and name hb) 1.8 0 4.2 {vw,8.25x4.52,p,0,12/09}
                assign (resid 20 and name hn) (resid 18 and name hg2*) 1.8 0 5.2 {vw,8.25x1.25,ltn,1,01/14}
                assign (resid 20 and name hd*) (resid 18 and name hg2*) 1.8 0 7.5 {vw,x1.25,ltn,1+2.3,01/14}
                assign (resid 20 and name hd*) (resid 18 and name hb) 1.8 0 5.5 {w,x4.52,ltn,2.3,01/14}
!Pro21 
        !Sequential NOE's
                assign (resid 21 and name hd*) (resid 20 and name ha) 1.8 0 2.0 {s,4.82x3.46&3.88,p,1,11/18}
                assign (resid 21 and name hd*) (resid 20 and name hd*) 1.8 0 7.5 {vw,x3.46&3.88,p,1+2.3,12/03}
                !Medium Range NOE's
!Asn22 (7.02 ppm)
        !Sequential NOE's
                assign (resid 22 and name hn) (resid 21 and name ha) 1.8 0 3.2 {w,7.02x4.35,p,0,10/15}
                assign (resid 22 and name hn) (resid 21 and name hd*) 1.8 0 4.2 {w,7.02x3.46&3.88,p,1,11/19}
                assign (resid 22 and name hn) (resid 21 and name hb*) 1.8 0 4.2 {w,7.02x1.87&1.56,p,1,11/25}
        !Medium Range NOE's
                assign (resid 22 and name hn) (resid 20 and name ha) 1.8 0 4.2 {vw,7.02x4.82,p,0,10/16}
                assign (resid 22 and name hn) (resid 20 and name hb1) 1.8 0 3.2 {w,7.02x3.03,p,1,12/05}
!Ala23 (8.16 ppm)
        !Sequential NOE's
                assign (resid 23 and name hn) (resid 22 and name hn) 1.8 0 4.2 {vw,8.16x7.02,p,0,10/15}
                assign (resid 23 and name hn) (resid 22 and name ha) 1.8 0 1.0 {s,8.16x4.20,p,0,10/15}
                assign (resid 23 and name hn) (resid 22 and name hb*) 1.8 0 4.2 {w,8.16x2.72&2.67,ltn,1,01/14}
        !Medium Range NOE's
                assign (resid 23 and name hb*) (resid 21 and name ha) 1.8 0 4.2 {w,1.54x4.35,ltn,1,01/13}
!Lys24 (8.45 ppm)
        !Sequential NOE's
                assign (resid 24 and name hn) (resid 23 and name ha) 1.8 0 1.0 {s,8.45x5.38,p,0,10/16}
                assign (resid 24 and name hn) (resid 23 and name hb*) 1.8 0 4.2 {w,8.45x1.54,p,1,10/16}
                assign (resid 24 and name ha) (resid 23 and name hb*) 1.8 0 5.2 {vw,4.63x1.54,ltn,1,01/16}
        !Medium Range NOE's     
!Cys25 (9.07 ppm)
        !Sequential NOE's
                assign (resid 25 and name hn) (resid 24 and name ha) 1.8 0 1.0 {s,9.07x4.63,p,0,10/16}
                assign (resid 25 and name hn) (resid 24 and name hb*) 1.8 0 4.2 {w,9.07x1.8&1.70,p,1,11/19}
                assign (resid 25 and name hn) (resid 24 and name hg*) 1.8 0 5.2 {vw,,ltn,1,2/20 TT}
                assign (resid 25 and name hn) (resid 26 and name hg*) 1.8 0 5.2 {vw,9.12x2.38,ltn,1,04/30 TT}
        !Medium Rangs NOE's
                assign (resid 25 and name hn) (resid 23 and name hb*) 1.8 0 5.2 {vw,8.45x1.54,p,1,10/16}
!Met26 (8.78 ppm)
        !Sequential NOE's
                assign (resid 26 and name hn) (resid 25 and name ha) 1.8 0 1.0 {s,8.78x9.07,p,0,10/16}
        !Medium Range NOE's
                assign (resid 26 and name hn) (resid 30 and name ha) 1.8 0 4.2 {vw,8.78x4.83,p,0,11/19}
!Asn27 (9.46 ppm)
        !Sequential NOE's
                assign (resid 27 and name hn) (resid 26 and name ha) 1.8 0 1.0 {s,9.46x4.75,p,0,10/16}
                assign (resid 27 and name hn) (resid 26 and name hb*) 1.8 0 5.2 {vw,9.46x1.82&2.06,p,1,10/16}
                assign (resid 27 and name hn) (resid 26 and name hg*) 1.8 0 5.2 {vw,9.46x2.44,p,1,11/25}
        !Medium Range NOE's
!Arg28 (8.49 ppm)
        !Sequential NOE's
                assign (resid 28 and name hn) (resid 27 and name hn) 1.8 0 3.2 {w,8.49x9.46,p,0,10/16}
                assign (resid 28 and name hn) (resid 27 and name ha) 1.8 0 1.0 {s,8.49x4.32,p,0,10/16}
                assign (resid 28 and name hn) (resid 27 and name hb*) 1.8 0 5.2 {vw,8.49x2.72&2.99,p,1,10/16}
        !Medium Range NOE's 
                assign (resid 28 and name hn) (resid 26 and name ha) 1.8 0 4.2 {vw,8.49x4.75,ltn,0,12/18}
!Lys29 (7.66 ppm)
        !Sequential NOE's
                assign (resid 29 and name hn) (resid 28 and name hn) 1.8 0 1.5 {m,7.66x8.49,p,0,10/16}
                assign (resid 29 and name hn) (resid 28 and name ha) 1.8 0 1.5 {m,7.66x4.08,p,0,10/16}
                assign (resid 29 and name hn) (resid 28 and name hb2) 1.8 0 4.2 {vw,7.65x2.12,1/2 r p,1,5/03 TT}
        !Medium Range NOE's
                assign (resid 29 and name hn) (resid 26 and name hn) 1.8 0 3.2 {w,7.66x8.78,p,0,11/21}
                assign (resid 29 and name hn) (resid 27 and name ha) 1.8 0 4.2 {vw,7.66x4.32,p,0,01/17}
                assign (resid 29 and name hn) (resid 27 and name hb*) 1.8 0 5.2 {vw,7.66x2.72&2.99,p,1,01/17}
!Cys30 (8.53 ppm)
        !Sequential NOE's
                assign (resid 30 and name hn) (resid 29 and name hn) 1.8 0 4.2 {vw,8.53x7.66,p,0,10/16}
                assign (resid 30 and name hn) (resid 29 and name ha) 1.8 0 1.0 {s,8.53x5.03,p,0,10/16}
                assign (resid 30 and name hn) (resid 29 and name hb*) 1.8 0 4.2 {w,,ltn,1,2/20 TT}
                assign (resid 30 and name ha) (resid 31 and name hb*) 1.8 0 5.2 {vw,,ltn,1,2/20 TT}
        !Medium Range NOE's
!Lys31 (9.18 ppm)
        !Sequential NOE's
                assign (resid 31 and name hn) (resid 30 and name ha) 1.8 0 1.0 {s,9.18x4.83,p,0,10/16}
                assign (resid 31 and name hn) (resid 30 and name hb1) 1.8 0 3.2 {w,9.18x2.59p,1,10/16}
                !Medium Range NOE's
!Cys32 (8.78 ppm)
        !Sequential NOE's
                assign (resid 32 and name hn) (resid 31 and name ha) 1.8 0 1.5 {m,8.78x4.58,p,0,10/16}
                assign (resid 32 and name hn) (resid 31 and name hb*) 1.8 0 5.2 {vw,,ltn,1,2/20 TT}
                assign (resid 32 and name hn) (resid 31 and name hg*) 1.8 0 5.2 {vw,,ltn,1,2/20 TT}
        !Medium Range NOE's
!Phe33 (8.15 ppm)
        !Sequential NOE's
                assign (resid 33 and name hn) (resid 32 and name ha) 1.8 0 1.0 {s,8.15x5.16,p,0,10/16}
                assign (resid 33 and name hn) (resid 32 and name hb2) 1.8 0 3.2 {w,8.15x2.67,p,1,10/30}
                assign (resid 33 and name hn) (resid 32 and name hb1) 1.8 0 3.2 {w,8.15x3.70,p,1,10/30}
                assign (resid 33 and name hd*) (resid 32 and name ha) 1.8 0 6.5 {vw,x5.16,ltn,2.3,01/13}
        !Medium Range NOE's
!Gly34 (9.48 ppm)
        !Sequential NOE's
                assign (resid 34 and name hn) (resid 33 and name hn) 1.8 0 1.0 {s,9.48x8.15,p,0,10/16}
                assign (resid 34 and name hn) (resid 33 and name ha) 1.8 0 3.2 {w,9.48x4.55,p,0,10/16}
                assign (resid 34 and name hn) (resid 33 and name hb1) 1.8 0 4.2 {vw,9.48x3.17,p,0,10/16}
                assign (resid 34 and name hn) (resid 33 and name hb2) 1.8 0 4.2 {vw,9.48x2.64,p,0,10/16}
        !Medium Range NOE's
                assign (resid 34 and name hn) (resid 32 and name hb1) 1.8 0 4.2 {vw,,ltn,0,2/20 TT}
                assign (resid 34 and name hn) (resid 32 and name hb2) 1.8 0 4.2 {vw,,ltn,0,2/20 TT}
!Arg35 (7.58 ppm)
        ! Sequential NOE's
                assign (resid 35 and name hn) (resid 34 and name hn) 1.8 0 1.5 {m,7.58x9.48,p,0,10/16}
                assign (resid 35 and name hn) (resid 34 and name ha*) 1.8 0 2.0 {s,7.58x3.97&3.67,p,1,10/16}            
        ! Medium Range NOE's
                assign (resid 35 and name hn) (resid 33 and name hb1) 1.8 0 4.2 {vw,7.58x3.17,p,0,10/25}
                assign (resid 35 and name hn) (resid 33 and name hb2) 1.8 0 4.2 {vw,7.58x2.64,p,0,10/25}

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!   Long Range NOE's, by spin system
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Ile2 (8.54 ppm)
        assign (resid 2 and name hn) (resid 30 and name hb1) 1.8 0 4.2 {vw,8.54x2.59,ltn,1,12/18}
        assign (resid 2 and name hn) (resid 30 and name hb2) 1.8 0 3.2 {w,8.54x2.78,ltn,1,12/18}
        assign (resid 2 and name hn) (resid 29 and name ha) 1.8 0 4.2 {vw,8.54x5.03,ltn,0,01/09}
        assign (resid 2 and name hd*) (resid 10 and name ha) 1.8 0 5.2 {vw,0.62x4.57,ltn,1,01/07}
        assign (resid 2 and name hg2*) (resid 10 and name ha) 1.8 0 5.2 {vw,0.66x4.57,ltn,1,01/14}
        assign (resid 2 and name hg1*) (resid 10 and name ha) 1.8 0 5.2 {vw,0.82&1.09x4.57,ltn,1,01/15}
!Arg4 (7.89 ppm)
        assign (resid 4 and name hn) (resid 28 and name ha) 1.8 0 3.2 {w,7.89x4.08,w,0,10/25}
        assign (resid 4 and name hn) (resid 28 and name hb1) 1.8 0 3.2 {w,7.89x2.25,5/5 r ltn,0,01/16}
        assign (resid 4 and name ha) (resid 25 and name hb*) 1.8 0 5.2 {vw,4.86x2.25&2.86,p,1,12/05}
        assign (resid 4 and name hb2) (resid 9 and name hb2) 1.8 0 1.5 {m,3.33x2.26,7/8 r,0,6/08 TT}
        assign (resid 4 and name hb1) (resid 9 and name hb2) 1.8 0 5.2 {vw,2.87x2.26,p,1,12/05}
        assign (resid 4 and name ha) (resid 9 and name hb1) 1.8 0 4.2 {vw,4.86x2.12,p,0,01/22}
        assign (resid 4 and name ha) (resid 9 and name hb2) 1.8 0 3.2 {w,4.86x2.26,p,0,01/22}
        assign (resid 4 and name hn) (resid 30 and name hn) 1.8 0 4.2 {vw,7.89x8.53,ltn,0,01/09}
        assign (resid 4 and name hn) (resid 29 and name ha) 1.8 0 4.2 {vw,7.89x5.03,ltn,0,01/14}
!Cys10 (7.75 ppm)
        assign (resid 10 and name hn) (resid 23 and name hb*) 1.8 0 5.2 {vw,7.75x1.54,p,1,11/25}
        assign (resid 10 and name ha) (resid 23 and name hb*) 1.8 0 5.2 {vw,5.38x1.54,ltn,1,/01/16}
!Tyr11 (7.28 ppm)       
        assign (resid 11 and name ha) (resid 21 and name ha) 1.8 0 3.2 {w,5.11x4.35,p,0,10/28}
        assign (resid 11 and name hd*) (resid 21 and name ha) 1.8 0 6.5 {vw,7.19x4.35,ltn,2.3,01/17}
        assign (resid 11 and name hd*) (resid 22 and name ha) 1.8 0 6.5 {vw,5.11x7.19,p,2.3,11/22}
        assign (resid 11 and name ha) (resid 23 and name hb*) 1.8 0 2.5 {m,5.22x1.54,ltn,1,01/13}
        assign (resid 11 and name hn) (resid 23 and name hb*) 1.8 0 5.2 {vw,7.28x1.54,p,1,11/22}
        assign (resid 11 and name hb*) (resid 23 and name hb*) 1.8 0 6.2 {w,3.39&3.21x1.54,ltn,2,01/13}
        assign (resid 11 and name hd*) (resid 23 and name hb*) 1.8 0 6.5 {w,7.19x1.54,p,1+2.3,11/25}
        assign (resid 11 and name he*) (resid 23 and name hb*) 1.8 0 6.5 {w,6.85x1.54,p,1+2.3,11/26}
        assign (resid 11 and name hd*) (resid 23 and name hn) 1.8 0 6.5 {vw,7.19x8.16,p,2.3,12/05}
        assign (resid 11 and name he*) (resid 23 and name hn) 1.8 0 3.8 {m,x8.16,p,2.3,12/05}
        assign (resid 11 and name ha) (resid 23 and name hb*) 1.8 0 4.2 {w,5.11x1.54,p,1,12/10}
!His13 (7.76 ppm)
        assign (resid 13 and name hb*) (resid 2 and name hd*) 1.8 0 5.2 {w,3.28&3.41x0.62,p,2,12/02}
        assign (resid 13 and name hb*) (resid 2 and name hg2*) 1.8 0 6.2 {vw,3.28&3.41x0.66,ltn,2,01/14}
        assign (resid 13 and name hd2) (resid 2 and name hd*) 1.8 0 5.2 {vw,7.12x0.62,p,1,12/02}
        assign (resid 13 and name hd2) (resid 2 and name hg2*) 1.8 0 4.2 {w,7.12x0.66,p,1,01/14}
        assign (resid 13 and name hd2) (resid 30 and name hb1) 1.8 0 4.2 {vw,7.12x2.59,p,1,12/03}
        assign (resid 13 and name hd2) (resid 30 and name hb2) 1.8 0 4.2 {vw,7.12x2.82,p,1,12/03}
        assign (resid 13 and name he1) (resid 1 and name hb) 1.8 0 4.2 {vw,8.68x3.94,p,0,5/01 TT}
        assign (resid 13 and name he1) (resid 17 and name hg*) 1.8 0 5.2 {vw,8.68x3.94,p,1,5/07 TT}
        assign (resid 13 and name he1) (resid 17 and name hb*) 1.8 0 5.2 {vw,8.68x3.94,p,1,5/07 TT}
        assign (resid 13 and name he1) (resid 2 and name hg2*) 1.8 0 5.2 {vw,8.69x0.66,p,1,01/14}
        assign (resid 13 and name he1) (resid 2 and name hd*) 1.8 0 5.2 {vw,8.69x0.62,p,1,11/26}
        assign (resid 13 and name he1) (resid 2 and name ha) 1.8 0 4.2 {vw,8.68x4.30,p,0,5/03 TT }
!Cys14 (8.69 ppm)
        assign (resid 14 and name hb2) (resid 21 and name ha) 1.8 0 4.2 {vw,2.92x4.35,p,0,11/26}
        assign (resid 14 and name hb1) (resid 21 and name ha) 1.8 0 4.2 {vw,3.50x4.35,p,0,11/26}
!Lys15 (8.89 ppm)       
        assign (resid 15 and name hn) (resid 21 and name ha) 1.8 0 1.5 {m,8.89x4.35,p,0,10/28}
        assign (resid 15 and name ha) (resid 21 and name ha) 1.8 0 4.2 {vw,4.60x4.35,p,0,10/28}
        assign (resid 15 and name hb*) (resid 21 and name ha) 1.8 0 4.2 {w,1.46&1.87x4.35,p,1,11/26}
        assign (resid 15 and name hn) (resid 23 and name hb*) 1.8 0 5.2 {vw,8.88x1.54,p,1,5/01 TT}
!Tyr20 (8.25 ppm) 
        assign (resid 20 and name hd*) (resid 33 and name ha) 1.8 0 5.5 {w,6.97x4.55,ltn,2.3,01/16}
        assign (resid 20 and name he*) (resid 33 and name ha) 1.8 0 6.5 {vw,6.87x4.55,ltn,2.3+2,01/16}
!Lys24 (8.45 ppm)
        assign (resid 24 and name hn) (resid 32 and name ha) 1.8 0 4.2 {vw,8.45x5.16,p,0,10/28}
        assign (resid 24 and name ha) (resid 7 and name hb*) 1.8 0 5.2 {vw,4.63x2.13,ltn,1,01/10}
        assign (resid 24 and name ha) (resid 7 and name ha) 1.8 0 4.2 {vw,4.63x3.69,ltn,0,01/13}
        assign (resid 24 and name ha) (resid 7 and name hn) 1.8 0 4.2 {vw,9.02x4.60,ltn,0,5/01 TT}
!Cys25 (9.07 ppm)       
        assign (resid 25 and name hb1) (resid 7 and name ha) 1.8 0 3.2 {w,3.69x2.86,TT,0,02/13}
        assign (resid 25 and name hn) (resid 7 and name ha) 1.8 0 4.2 {vw,9.07x3.69,p,0,10/28}
        assign (resid 25 and name hn) (resid 7 and name hb*) 1.8 0 4.2 {w,9.07x2.13,p,1,01/29}
        assign (resid 30 and name ha) (resid 25 and name ha) 1.8 0 1.5 {m,4.83x4.98,p,0,10/28}
        assign (resid 25 and name hn) (resid 6 and name ha) 1.8 0 4.2 {vw,9.06x4.79,TT,0,04/30}
!Arg28 (8.49 ppm)
        assign (resid 28 and name hn) (resid 5 and name hb) 1.8 0 4.2 {vw,4.30x8.49,TT,0,04/24}
!Lys29 (7.66 ppm)
        assign (resid 29 and name ha) (resid 1 and name hg2*) 1.8 0 5.2 {vw,5.03x1.29,p,1,12/03}
!Cys30 (8.53 ppm)
        assign (resid 30 and name hn) (resid 1 and name hg2*) 1.8 0 5.2 {vw,8.53x1.29,ltn,1,01/20}
!Lys31 (9.18 ppm)
        assign (resid 31 and name hn) (resid 24 and name hn) 1.8 0 3.2 {w,9.18x8.45,p,0,10/18}
        assign (resid 31 and name hn) (resid 25 and name ha) 1.8 0 3.2 {w,9.18x4.98,p,0,11/21}
!Cys32 (8.78 ppm)
        assign (resid 32 and name ha) (resid 23 and name ha) 1.8 0 1.0 {s,5.16x5.38,p,0,11/21}
        assign (resid 32 and name ha) (resid 23 and name hb*) 1.8 0 4.2 {w,5.16x1.54,p,1,12/10}
        assign (resid 32 and name hb1) (resid 23 and name hb*) 1.8 0 4.2 {w,3.70x1.54,5/5 r ltn,1,01/13}
!Phe33 (8.15 ppm)
        assign (resid 33 and name hn) (resid 23 and name ha) 1.8 0 1.5 {m,8.15x5.38,p,0,11/21}
        assign (resid 33 and name hd*) (resid 23 and name ha) 1.8 0 5.5 {w,x5.38,p,2.3,12/05}
        assign (resid 33 and name he*) (resid 23 and name ha) 1.8 0 6.5 {vw,x5.38,p,2.3,12/05}
        assign (resid 33 and name hd*) (resid 24 and name hb*) 1.8 0 7.5 {vw,x1.80&1.70,ltn,2.3+1,01/09}
        assign (resid 33 and name he*) (resid 24 and name hb*) 1.8 0 6.5 {w,x1.80&1.70,ltn,2.3+1,01/09}
        assign (resid 33 and name hd*) (resid 24 and name hn) 1.8 0 6.5 {vw,x8.45,ltn,2.3,01/09}
        assign (resid 33 and name he*) (resid 24 and name hn) 1.8 0 6.5 {vw,x8.45,ltn,2.3,01/09}
        assign (resid 33 and name hn) (resid 18 and name hg2*) 1.8 0 5.2 {vw,8.13x1.23,p,1,5/03 TT}
        assign (resid 22 and name hd2*) (resid 33 and name hb2) 1.8 0 4.2 {w,7.78x2.55,ltn,1,04/08}
        assign (resid 22 and name hb*) (resid 33 and name hn) 1.8 0 4.2 {w,8.149x2.705,wg,1,05/26}
        assign (resid 22 and name hb*) (resid 33 and name hd*) 1.8 0 6.5 {w,7.138x2.711,wg&roe,1+2.3,05/26}
        assign (resid 23 and name ha) (resid 33 and name hb2) 1.8 0 4.2 {vw,5.31x2.64,wg,0,05/29 TT}
        assign (resid 31 and name hg1) (resid 33 and name he1) 4.0 0 8.0 {lower limit- Noe in pitx-ka but not -kb,0,05/29 TT}
        assign (resid 31 and name hg2) (resid 33 and name he2) 4.0 0 8.0 {lower limit- Noe in pitx-ka but not -kb,0,05/29 TT}
        assign (resid 31 and name hg1) (resid 33 and name he2) 4.0 0 8.0 {lower limit- Noe in pitx-ka but not -kb,0,05/29 TT}
        assign (resid 31 and name hg2) (resid 33 and name he1) 4.0 0 8.0 {lower limit- Noe in pitx-ka but not -kb,0,05/29 TT}
!Gly34 (9.48 ppm)
        assign (resid 34 and name ha*) (resid 18 and name hg2*) 1.8 0 6.2 {vw,3.67&3.97x1.25,p,2,12/09}
        assign (resid 34 and name hn) (resid 18 and name hg2*) 1.8 0 4.2 {w,9.48x1.25,ltn,01/15}
        assign (resid 34 and name hn) (resid 18 and name hg2*) 1.8 0 5.2 {vw,9.48x1.25,p,1,12/10}
        assign (resid 34 and name ha*) (resid 20 and name hd*) 1.8 0 7.5 {vw,3.67&3.97x,p,2.3+1,12/10}
        assign (resid 34 and name ha*) (resid 20 and name hn) 1.8 0 5.2 {vw,8.25x3.67,p,1,5/03 TT }
!Arg35 (7.58 ppm)
        assign (resid 35 and name hn) (resid 20 and name hb1) 1.8 0 4.2 {vw,7.58x2.42,p,1,11/25}
        assign (resid 35 and name hn) (resid 20 and name hb2) 1.8 0 4.2 {vw,7.58x3.03,p,1,11/25}
        assign (resid 35 and name hn) (resid 20 and name hd*) 1.8 0 6.5 {vw,7.58x6.97,p,2.3,12/05}
        assign (resid 35 and name ha) (resid 20 and name hd*) 1.8 0 6.5 {vw,3.28x6.97,p,2.3,12/05}
        assign (resid 35 and name ha) (resid 20 and name he*) 1.8 0 6.5 {vw,3.28x6.83,p,2.3,12/05}
        assign (resid 35 and name hd*) (resid 20 and name hd*) 1.8 0 7.5 {vw,3.02x6.97,ltn,2.3+1,01/16}
        assign (resid 35 and name hd*) (resid 20 and name he*) 1.8 0 7.5 {vw,3.02x6.83,ltn,2.3+1,01/16}
        assign (resid 35 and name hb*) (resid 20 and name hd*) 1.8 0 7.5 {vw,6.82x1.45,p,2.3+1,12/05}

        assign (resid 35 and name hn) (resid 22 and name hb*) 1.8 0 5.2 {vw,7.58x2.72,wg,1,05/26}
!!!!!!!!!NOTE
!!!
!for ptkb_noe200_prst_flt2_face2.mat
!!!contour level - 0.07
!!!level multiplier - 1.4
!!!number of levels - 12
!
!!!strong (10+ contours)  = 1.8 0 1.0 (1.8 to 2.8 angstroms)
!!!medium (7-9 contours) = 1.8 0 1.5 (1.8 to 3.3 angstroms)
!!!weak (4-6 contours) = 1.8 0 3.2 (1.8 to 5.0 angstroms)
!!!very weak (1-3 contours) = 1.8 0 4.2 (1.8 to 6.0 angstroms)



!!!Pseudo-atom corrections
!!!methyl groups - added 1.0 angstrom
!!!methylene groups - added 1.0 angstrom
!!!aromatic groups - added 2.3 angstroms 


!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!                            Intra-Residue NOE's, by spin system
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Thr1
        assign (resid 1 and name ha) (resid 1 and name hg2*) 1.8 0 2.5 {m,4.13x1.29,1,r,01/27}
        assign (resid 1 and name hb) (resid 1 and name hg2*) 1.8 0 2.5 {m,3.94x1.29,1,r,01/27}
!Ile2 (8.54 ppm)
        assign (resid 2 and name hn) (resid 2 and name ha) 1.8 0 1.5 {m,8.54x4.31,0,r,01/23}
        assign (resid 2 and name hn) (resid 2 and name hb) 1.8 0 1.5 {m,8.54x1.63,0,r,01/24}
        assign (resid 2 and name hn) (resid 2 and name hg1*) 1.8 0 4.2 {w,8.54x1.07&0.82,1,r,01/24}
        assign (resid 2 and name hn) (resid 2 and name hg2*) 1.8 0 2.5 {m,8.54x0.66,1,r,01/24}
        assign (resid 2 and name ha) (resid 2 and name hb) 1.8 0 1.0 {s,4.31x1.63,0,r,01/29}
        assign (resid 2 and name ha) (resid 2 and name hg2*) 1.8 0 2.5 {m,4.31x0.66,1,r,01/29}
        assign (resid 2 and name ha) (resid 2 and name hg1*) 1.8 0 4.2 {w,4.31x1.07&0.82,1,r,01/29}
        assign (resid 2 and name ha) (resid 2 and name hd*) 1.8 0 4.2 {w,4.31x0.62,1,r,02/05}
!Ser3 (8.28 ppm)
        assign (resid 3 and name hn) (resid 3 and name ha) 1.8 0 3.2 {w,8.28x5.01,0,r,01/23}
        assign (resid 3 and name hn) (resid 3 and name hb*) 1.8 0 4.2 {w,8.28x3.88&3.83,1,r,01/24}
        assign (resid 3 and name ha) (resid 3 and name hb*) 1.8 0 4.2 {w,5.01x3.88&3.83,1,r,01/28}
!Cys4 (7.89 ppm)
        assign (resid 4 and name hn) (resid 4 and name ha) 1.8 0 3.2 {w,7.89x4.86,0,r,01/23}
        assign (resid 4 and name hn) (resid 4 and name hb1) 1.8 0 3.2 {w,7.89x2.87,0,5/5r,01/24}
        assign (resid 4 and name ha) (resid 4 and name hb1) 1.8 0 1.0 {s,4.86x2.87,0,11/10 r,01/27}
        assign (resid 4 and name ha) (resid 4 and name hb2) 1.8 0 1.0 {s,4.86x3.33,0,11/10 r,01/27}
!Thr5 (9.34 ppm)
        assign (resid 5 and name hn) (resid 5 and name ha) 1.8 0 3.2 {w,9.34x4.38,0,r,01/23}
        assign (resid 5 and name hn) (resid 5 and name hb) 1.8 0 3.2 {w,9.34x4.31,0,r,01/24}
        assign (resid 5 and name hn) (resid 5 and name hg2*) 1.8 0 4.2 {w,9.34x1.17,1,r,01/24}
        assign (resid 5 and name hb) (resid 5 and name hg2*) 1.8 0 2.5 {m,4.31x1.17,1,r,01/27}
        assign (resid 5 and name ha) (resid 5 and name hg2*) 1.8 0 2.5 {m,4.38x1.17,1,r,02/03}
!Asn6 (7.87 ppm)
        assign (resid 6 and name hn) (resid 6 and name ha) 1.8 0 3.2 {w,7.87x4.80,0,r,01/23}
        assign (resid 6 and name hn) (resid 6 and name hb*) 1.8 0 5.2 {vw,7.87x2.87&2.76,1,r,01/24}
        assign (resid 6 and name ha) (resid 6 and name hb*) 1.8 0 2.5 {m,4.80x2.76&2.87,1,r,02/03}
!Glu7 (9.03 ppm)
        assign (resid 7 and name hn) (resid 7 and name ha) 1.8 0 1.5 {m,9.03x3.69,0,r,01/23}
        assign (resid 7 and name hn) (resid 7 and name hb*) 1.8 0 2.5 {m,9.03x2.13&2.25,1,r,01/24}
        assign (resid 7 and name hn) (resid 7 and name hg*) 1.8 0 4.2 {w,9.03x2.34,1,r,01/24}
        assign (resid 7 and name ha) (resid 7 and name hb*) 1.8 0 2.5 {m,3.69x2.13&2.25,1,r,01/27}
        assign (resid 7 and name ha) (resid 7 and name hg*) 1.8 0 5.2 {vw,3.69x2.34,1,r,01/27}
!Lys8 (8.03 ppm)
        assign (resid 8 and name hn) (resid 8 and name ha) 1.8 0 1.5 {m,8.03x2.65,0,r,01/23}
        assign (resid 8 and name hn) (resid 8 and name hb1) 1.8 0 1.0 {s,8.03x1.68,0,10/8 r,01/23}
        assign (resid 8 and name hn) (resid 8 and name hb2) 1.8 0 1.5 {m,8.03x1.60,0,7/6 r,01/23}
        assign (resid 8 and name hn) (resid 8 and name hd*) 1.8 0 4.2 {w,8.03x1.38,1,r,01/24}
        assign (resid 8 and name hn) (resid 8 and name hg*) 1.8 0 5.2 {vw,8.03x1.32,1,r,01/24}
        assign (resid 8 and name ha) (resid 8 and name hg*) 1.8 0 5.2 {vw,2.65x1.32,1,r,01/28}
        assign (resid 8 and name ha) (resid 8 and name hd*) 1.8 0 4.2 {w,2.65x1.38,1,r,01/29}
        assign (resid 8 and name ha) (resid 8 and name hb1) 1.8 0 1.5 {m,2.65x1.68,0,10/9 r,02/03}
        assign (resid 8 and name ha) (resid 8 and name hb2) 1.8 0 1.5 {m,2.65x1.60,0,10/9 r,02/03}
!Gln9 (7.33 ppm)
        assign (resid 9 and name hn) (resid 9 and name ha) 1.8 0 1.5 {m,7.33x4.03,0,r,01/23}
        assign (resid 9 and name hn) (resid 9 and name hb1) 1.8 0 4.2 {vw,7.33x2.12,0,r,01/24}
        assign (resid 9 and name hn) (resid 9 and name hb2) 1.8 0 1.5 {m,7.33x2.26,0,r,01/24}
        assign (resid 9 and name hn) (resid 9 and name he2*) 1.8 0 5.2 {vw,7.43x2.10,1,r,5/03 TT}
        assign (resid 9 and name hn) (resid 9 and name hg*) 1.8 0 2.5 {m,7.33x2.50&2.42,1,r,01/24}
        assign (resid 9 and name ha) (resid 9 and name hb1) 1.8 0 1.5 {m,4.03x2.12,0,r,01/27}
        assign (resid 9 and name ha) (resid 9 and name hb2) 1.8 0 3.2 {w,4.03x2.26,0,r,01/27}
        assign (resid 9 and name ha) (resid 9 and name hg*) 1.8 0 4.2 {w,4.03x2.50&2.42,1,r,01/27}
!Cys10 (7.75 ppm)
        assign (resid 10 and name hn) (resid 10 and name ha) 1.8 0 3.2 {w,7.75x4.57,0,r,01/23}
        assign (resid 10 and name hn) (resid 10 and name hb*) 1.8 0 2.5 {m,7.75x3.02,1,r,01/24}
        assign (resid 10 and name ha) (resid 10 and name hb*) 1.8 0 2.5 {m,4.57x3.02,1,r,01/28}
!Tyr11 (7.28 ppm)
        assign (resid 11 and name hn) (resid 11 and name ha) 1.8 0 1.5 {m,7.28x5.11,0,r,01/23}
        assign (resid 11 and name hn) (resid 11 and name hb1) 1.8 0 4.2 {vw,7.28x3.21,0,r,01/23}
        assign (resid 11 and name hn) (resid 11 and name hb2) 1.8 0 1.5 {m,7.28x3.39,0,r,01/23}
        assign (resid 11 and name ha) (resid 11 and name hd*) 1.8 0 3.8 {m,5.11x7.19,2.3,r,01/28}
        assign (resid 11 and name ha) (resid 11 and name hb1) 1.8 0 1.5 {m,5.118x3.21,0,r,02/03}
        assign (resid 11 and name ha) (resid 11 and name hb2) 1.8 0 3.2 {w,7.28x3.39,0,r,02/03}
!Pro12
        assign (resid 12 and name ha) (resid 12 and name hb*) 1.8 0 2.5 {m,4.31x2.34&1.84,1,r,01/28}
        assign (resid 12 and name ha) (resid 12 and name hg*) 1.8 0 4.2 {w,4.31x1.84&2.07,1,r,02/05}
        assign (resid 12 and name hb*) (resid 12 and name hg*) 1.8 0 3.5 {m,2.34&1.84x2.07,2,r,01/28}
        assign (resid 12 and name hg*) (resid 12 and name hd*) 1.8 0 3.5 {m,2.07x3.77&3.87,2,r,01/28}
        assign (resid 12 and name ha) (resid 12 and name hd*) 1.8 0 5.2 {vw,4.31x3.77&3.87,1,r,01/28}
!His13 (7.76 ppm)
        assign (resid 13 and name hn) (resid 13 and name ha) 1.8 0 3.2 {w,7.76x4.39,0,r,01/23}
        assign (resid 13 and name hn) (resid 13 and name hb*) 1.8 0 2.5 {m,7.76x3.41&3.28,1,r,01/24}
        assign (resid 13 and name ha) (resid 13 and name hb*) 1.8 0 4.2 {w,4.39x3.41&3.28,1,r,01/28}
        assign (resid 13 and name ha) (resid 13 and name hd2) 1.8 0 4.2 {vw,7.76x4.39,0,r,5/03 TT}
!Cys14 (8.69 ppm)
        assign (resid 14 and name hn) (resid 14 and name hb2) 1.8 0 1.5 {m,8.69x2.92,r,0,01/29}
!Lys15 (8.89 ppm)
        assign (resid 15 and name hn) (resid 15 and name ha) 1.8 0 3.2 {w,8.89x3.59,0,r,01/23}
        assign (resid 15 and name hn) (resid 15 and name hb*) 1.8 0 2.5 {m,8.89x1.46&1.87,1,r,01/23}
        assign (resid 15 and name hn) (resid 15 and name hd*) 1.8 0 5.2 {vw,8.89x1.23,1,r,01/24}
        assign (resid 15 and name ha) (resid 15 and name hb*) 1.8 0 2.5 {m,3.59x1.46&1.87,1,r,01/28}
        assign (resid 15 and name ha) (resid 15 and name hd*) 1.8 0 4.2 {w,3.59x1.23,1,r,01/28}
        assign (resid 15 and name ha) (resid 15 and name hg*) 1.8 0 4.2 {w,3.59x1.02,1,r,01/07}
        assign (resid 15 and name hb*) (resid 15 and name hd*) 1.8 0 6.2 {vw,1.46&1.87x1.23,2,r,01/28}
        assign (resid 15 and name hb*) (resid 15 and name hg*) 1.8 0 5.2 {w,1.46&1.87x1.02,2,r,01/28}
        assign (resid 15 and name hg*) (resid 15 and name hd*) 1.8 0 5.2 {w,1.02x1.23,2,r,01/28}
!Lys16 (7.62 ppm)
        assign (resid 16 and name hn) (resid 16 and name ha) 1.8 0 1.5 {m,7.62x4.00,0,r,01/23}
        assign (resid 16 and name hn) (resid 16 and name hb*) 1.8 0 2.5 {m,7.62x1.93,1,r,01/24}
        assign (resid 16 and name hn) (resid 16 and name hg*) 1.8 0 5.2 {vw,7.62x1.45,1,r,01/24}
        assign (resid 16 and name ha) (resid 16 and name hd*) 1.8 0 4.2 {w,4.00x1.68,1,r,01/28}
        assign (resid 16 and name ha) (resid 16 and name hb*) 1.8 0 2.5 {m,4.00x1.93,1,r,01/28}
        assign (resid 16 and name ha) (resid 16 and name hg*) 1.8 0 4.2 {w,4.00x1.45,1,r,01/28}
!Glu17 (7.93 ppm) 
        assign (resid 17 and name hn) (resid 17 and name hb*) 1.8 0 4.2 {w,7.62x1.97&2.13,1,r,01/24}
        assign (resid 17 and name hn) (resid 17 and name hg*) 1.8 0 4.2 {w,7.62x2.32&2.24,1,r,01/24}
        assign (resid 17 and name ha) (resid 17 and name hb*) 1.8 0 2.5 {m,4.20x1.97&2.13,1,r,02/03}
        assign (resid 17 and name ha) (resid 17 and name hg*) 1.8 0 4.2 {w,4.20x2.32&2.24,1,r,02/03}
        assign (resid 17 and name hn) (resid 17 and name ha) 1.8 0 3.2 {w,7.62x4.20,0,r,02/04}
!Tyr18 (8.42 ppm)
        assign (resid 18 and name hn) (resid 18 and name ha) 1.8 0 3.2 {w,8.42x4.78,0,r,01/23}
        assign (resid 18 and name hn) (resid 18 and name hg2*) 1.8 0 2.5 {m,8.42x1.25,1,r,01/24}
        assign (resid 18 and name ha) (resid 18 and name hg2*) 1.8 0 2.5 {m,4.78x1.25,1,r,01/28}
!Gly19 (7.92 ppm)
        assign (resid 19 and name hn) (resid 19 and name ha*) 1.8 0 2.5 {m,7.92x3.57&4.23,1,r,01/23}
!Tyr20 (8.25 ppm)
        assign (resid 20 and name hn) (resid 20 and name hb2) 1.8 0 3.2 {w,8.25x2.42,0,r,01/23}
        assign (resid 20 and name ha) (resid 20 and name hb1) 1.8 0 1.5 {m,4.82x3.03,0,r,01/23}
        assign (resid 20 and name ha) (resid 20 and name hb2) 1.8 0 3.2 {w,4.82x2.42,0,r,01/28}
!Pro21 
        assign (resid 21 and name ha) (resid 21 and name hb*) 1.8 0 2.5 {m,4.35x1.87&1.56,1,r,01/29}
!Asn22 (7.02 ppm)
        assign (resid 22 and name hn) (resid 22 and name ha) 1.8 0 1.5 {m,7.02x4.20,0,r,01/23}
        assign (resid 22 and name hn) (resid 22 and name hb*) 1.8 0 2.5 {m,7.02x2.72&2.67,1,r,01/24}
!Ala23 (8.16 ppm)
        assign (resid 23 and name hn) (resid 23 and name ha) 1.8 0 1.5 {m,8.16x5.38,0,r,01/23}
        assign (resid 23 and name hn) (resid 23 and name hb*) 1.8 0 2.5 {m,8.16x1.54,1,r,01/24}
        assign (resid 23 and name ha) (resid 23 and name hb*) 1.8 0 2.5 {m,5.38x1.54,1,r,01/28}
!Lys24 (8.45 ppm)
        assign (resid 24 and name hn) (resid 24 and name hb*) 1.8 0 4.2 {w,8.45x1.80&1.70,1,r,01/24}
        assign (resid 24 and name hn) (resid 24 and name hg*) 1.8 0 5.2 {vw,8.45x1.45,1,r,01/24}
        assign (resid 24 and name hn) (resid 24 and name hd*) 1.8 0 2.5 {m,8.45x1.49,1,r,01/24}
!Cys25 (9.07 ppm)
        assign (resid 25 and name hn) (resid 25 and name ha) 1.8 0 4.2 {vw,9.07x4.98,0,r,01/23}
        assign (resid 25 and name hn) (resid 25 and name hb*) 1.8 0 4.2 {w,9.07x2.25&2.86,1,r,01/24}
        assign (resid 25 and name ha) (resid 25 and name hb*) 1.8 0 4.2 {w,4.98x2.25&2.86,1,r,01/28}
!Met26 (8.78 ppm)
        assign (resid 26 and name hn) (resid 26 and name ha) 1.8 0 4.2 {vw,8.78x4.75,0,r,01/23}
        assign (resid 26 and name hn) (resid 26 and name hb*) 1.8 0 5.2 {vw,8.78x1.82&2.06,1,r,01/24}
        assign (resid 26 and name hn) (resid 26 and name hg*) 1.8 0 5.2 {vw,8.78x2.44,1,r,01/24}
        assign (resid 26 and name ha) (resid 26 and name hg*) 1.8 0 4.2 {w,4.76x2.44,1,r,01/28}
        assign (resid 26 and name ha) (resid 26 and name hb*) 1.8 0 5.2 {vw,4.76x1.82&2.06,1,r,01/28}
!Asn27 (9.46 ppm)
        assign (resid 27 and name hn) (resid 27 and name ha) 1.8 0 1.5 {m,9.46x4.32,0,r,01/23}
        assign (resid 27 and name hn) (resid 27 and name hb*) 1.8 0 5.2 {vw,9.46x2.72&2.99,1,r,01/24}
!Arg28 (8.49 ppm)
        assign (resid 28 and name hn) (resid 28 and name ha) 1.8 0 1.0 {s,8.49x4.08,0,r,01/23}
        assign (resid 28 and name hn) (resid 28 and name hb2) 1.8 0 3.2 {w,8.49x2.13,0,3/5 r,01/24}
        assign (resid 28 and name hn) (resid 28 and name hg*) 1.8 0 4.2 {w,8.49x1.59,1,r,01/24}
        assign (resid 28 and name hn) (resid 28 and name hd*) 1.8 0 5.2 {vw,8.49x3.20,1,r,01/24}
        assign (resid 28 and name ha) (resid 28 and name hg*) 1.8 0 4.2 {w,4.08x1.59,1,r,01/29}
        assign (resid 28 and name ha) (resid 28 and name hb1) 1.8 0 1.0 {s,4.08x2.25,0,10/11 r,02/03}
        assign (resid 28 and name ha) (resid 28 and name hb2) 1.8 0 1.5 {m,4.08x2.13,0,7/10 r,02/03}
!Lys29 (7.66 ppm)
        assign (resid 29 and name hn) (resid 29 and name ha) 1.8 0 3.2 {w,7.66x5.03,0,r,01/23}
        assign (resid 29 and name hn) (resid 29 and name hb*) 1.8 0 4.2 {w,7.66x1.73,1,r,01/24}
        assign (resid 29 and name hn) (resid 29 and name hg*) 1.8 0 5.2 {vw,7.66x1.45&1.35,1,r,01/24}
        assign (resid 29 and name ha) (resid 29 and name hb*) 1.8 0 2.5 {m,5.03x1.73,1,r,01/28}
        assign (resid 29 and name ha) (resid 29 and name hd*) 1.8 0 5.2 {vw,5.03x1.56,r,01/28}
        assign (resid 29 and name ha) (resid 29 and name hg*) 1.8 0 4.2 {w,5.03x1.45&1.35,1,r,01/28}
!Cys30 (8.53 ppm)
        assign (resid 30 and name hn) (resid 30 and name hb2) 1.8 0 1.0 {s,8.53x2.82,1,r,01/24}
!Lys31 (9.18 ppm)
        assign (resid 31 and name hn) (resid 31 and name ha) 1.8 0 3.2 {w,9.18x4.58,0,r,01/23}
        assign (resid 31 and name hn) (resid 31 and name hb*) 1.8 0 3.2 {w,9.18x1.76&1.67,1,r,01/24}
        assign (resid 31 and name ha) (resid 31 and name hb*) 1.8 0 3.2 {w,4.58x1.76&1.67,1,r,01/28}
        assign (resid 31 and name ha) (resid 31 and name hg*) 1.8 0 5.2 {vw,4.58x1.18&1.11,1,r,01/28}
!Cys32 (8.78 ppm)
        assign (resid 32 and name hn) (resid 32 and name ha) 1.8 0 3.2 {w,8.78x5.16,0,r,01/23}
        assign (resid 32 and name hn) (resid 32 and name hb2) 1.8 0 1.5 {m,8.78x2.67,0,r,01/24}
        assign (resid 32 and name ha) (resid 32 and name hb2) 1.8 0 3.2 {w,5.16x2.67,0,r,01/28}
        assign (resid 32 and name ha) (resid 32 and name hb1) 1.8 0 1.5 {m,5.16x3.70,0,r,01/28}
!Phe33 (8.15 ppm)
        assign (resid 33 and name hn) (resid 33 and name ha) 1.8 0 3.2 {w,8.15x4.55,0,r,01/23}
        assign (resid 33 and name hn) (resid 33 and name hb2) 1.8 0 1.5 {m,8.15x2.64,0,r,01/24}
        assign (resid 33 and name ha) (resid 33 and name hb1) 1.8 0 1.5 {m,4.55x3.17,0,r,01/28}
        assign (resid 33 and name ha) (resid 33 and name hb2) 1.8 0 1.5 {m,4.55x2.64,0,r,01/28}
!Gly34 (9.48 ppm)
        assign (resid 34 and name hn) (resid 34 and name ha*) 1.8 0 2.5 {m,9.48x3.97&3.67,1,r,01/23}
!Arg35 (7.58 ppm)
        assign (resid 35 and name hn) (resid 35 and name ha) 1.8 0 1.5 {m,7.58x3.28,0,r,01/23}
        assign (resid 35 and name hn) (resid 35 and name hb*) 1.8 0 4.2 {w,7.58x1.25&1.47,1,r,02/05}
        assign (resid 35 and name hn) (resid 35 and name hg*) 1.8 0 5.2 {vw,7.58x1.34,1,r,02/05}
        assign (resid 35 and name ha) (resid 35 and name hg*) 1.8 0 4.2 {w,3.28x1.34,1,r,01/28}
        assign (resid 35 and name ha) (resid 35 and name hb*) 1.8 0 2.5 {m,3.28x1.25&1.47,1,r,01/28}


!!!!!!NOTE
! for ROESY (ptkb_roe75_prst.mat)
!contour level - 0.35
!number of contours - 12
!level multipler - 1.4
!strong (9+ contours)  = 1.8 0 1.0 (1.8 to 2.8 angstroms)
!medium (8-6 contours) = 1.8 0 1.5 (1.8 to 3.3 angstroms)
!weak (5-3 contours) = 1.8 0 3.2 (1.8 to 5.0 angstroms)
!very weak (1-2 contours) = 1.8 0 4.2 (1.8 to 6.0 angstroms)






!!!Strengths
!!!Strong     1.8 to 2.8 angstroms
!!!Medium     1.8 to 3.3 angstroms
!!!Weak       1.8 to 5.0 angstroms
!!!Very Weak  1.8 to 6.0 angstroms


!! hydrogenKb_310cap.tbl--hydrogen bonds for PiTx-Kbeta, derived from D2O 
!!              exchange data (DQF cosy expts. at 0.5, 2.5, and 97.5 hrs after 
!!              exchange.  TT 1/15/97 

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!    Hydrogen bonds for N6 cap
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!      assign (resid 6 and name od1) (resid 8 and name hn) 1.5 0 0.8
!!      assign (resid 6 and name od1) (resid 8 and name hn) 1.5 0 0.8

!!      assign (resid 9 and name oe1) (resid 6 and name hn) 1.5 0 0.8
!!      assign (resid 9 and name oe1) (resid 6 and name hn) 1.5 0 0.8
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!    Hydrogen bonds for 3-10 helix
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

        assign (resid 6 and name o) (resid 9 and name hn) 1.5 0 0.8
        assign (resid 6 and name o) (resid 9 and name hn) 1.5 0 0.8
        
        assign (resid 7 and name o) (resid 10 and name n) 2.4 0 0.9
        assign (resid 7 and name o) (resid 10 and name n) 2.4 0 0.9

        assign (resid 8 and name o) (resid 11 and name hn) 1.5 0 0.8
        assign (resid 8 and name o) (resid 11 and name n) 2.4 0 0.9
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!    Hydrogen bonds for alpha helix
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
        assign (resid 10 and name o) (resid 14 and name hn) 1.5 0 0.8
        assign (resid 10 and name o) (resid 14 and name n) 2.4 0 0.9
        assign (resid 11 and name o) (resid 15 and name hn) 1.5 0 0.8
        assign (resid 11 and name o) (resid 15 and name n) 2.4 0 0.9
        assign (resid 13 and name o) (resid 17 and name hn) 1.5 0 0.8
        assign (resid 13 and name o) (resid 17 and name n) 2.4 0 0.9

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!    Hydrogen bonds for G19 cap
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

!       assign (resid 16 and name o) (resid 19 and name hn) 1.5 0 0.8
!       assign (resid 16 and name o) (resid 19 and name n) 2.4 0 0.9
!       assign (resid 15 and name o) (resid 20 and name hn) 1.5 0 0.8
!       assign (resid 15 and name o) (resid 20 and name n) 2.4 0 0.9
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!    Hydrogen bonds for beta sheet
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

        assign (resid 22 and name o) (resid 33 and name hn) 1.5 0 0.8
        assign (resid 22 and name o) (resid 33 and name n) 2.4 0 0.9
        
        assign (resid 31 and name o) (resid 24 and name hn) 1.5 0 0.8
        assign (resid 31 and name o) (resid 24 and name n) 2.4 0 0.9

        assign (resid 24 and name o) (resid 31 and name hn) 1.5 0 0.8
        assign (resid 24 and name o) (resid 31 and name n) 2.4 0 0.9
        
        assign (resid 29 and name o) (resid 26 and name hn) 1.5 0 0.8
        assign (resid 29 and name o) (resid 26 and name n) 2.4 0 0.9
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!    Hydrogen bond for beta turn
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

        assign (resid 26 and name o) (resid 29 and name hn) 1.5 0 0.8
        assign (resid 26 and name o) (resid 29 and name n) 2.4 0 0.4




!marks  file dihedral1.tbl
!remarks  set up dihedral angle restraints for chi angles in PiTX-Kb
!remarks 2 line example follows
!remarks assign (segid="sbm1" and resid 1 and name c) (segid="sbm1" and resid 2 and name n)
!remarks        (segid="sbm1" and resid 2 and name ca) (segid="sbm1" and resid 2 and name c) 1 -60 40 2
!remarks Stereospecific assignments and chi angles completed 1/28/97 by TT
!remarks ----------------------------------------------------------------------------------------------


restraints dihedral
nassign 100
reset

assign (resid 4 and name n) (resid 4 and name ca)
        (resid 4 and name cb) (resid 4 and name sg) 1 60 40 2
assign (resid 8 and name n) (resid 8 and name ca)
        (resid 8 and name cb) (resid 8 and name cg) 1 180 40 2
assign (resid 9 and name n) (resid 9 and name ca)
        (resid 9 and name cb) (resid 9 and name cg) 1 -60 40 2
assign (resid 11 and name n) (resid 11 and name ca)
        (resid 11 and name cb) (resid 11 and name cg) 1 -60 40 2
assign (resid 14 and name n) (resid 14 and name ca)
        (resid 14 and name cb) (resid 14 and name sg) 1 -60 40 2
assign (resid 15 and name n) (resid 15 and name ca)
        (resid 15 and name cb) (resid 15 and name cg) 1 180 40 2
assign (resid 20 and name n) (resid 20 and name ca)
        (resid 20 and name cb) (resid 20 and name cg) 1 300 40 2
assign (resid 28 and name n) (resid 28 and name ca)
        (resid 28 and name cb) (resid 28 and name cg) 1 -60 40 2
assign (resid 30 and name n) (resid 30 and name ca)
        (resid 30 and name cb) (resid 30 and name sg) 1 -60 40 2
assign (resid 32 and name n) (resid 32 and name ca)
        (resid 32 and name cb) (resid 32 and name sg) 1 300 40 2
assign (resid 33 and name n) (resid 33 and name ca)
        (resid 33 and name cb) (resid 33 and name cg) 1 300 40 2

remarks ---------------------------------------------------------
remarks Restrain phi angle according to coupling constant
remarks J < 5.75 is -60 +- 20 deg
remarks J > 7.5  is -120 +- 30 deg
remarks 5.75 > J > 7.5  is 60 +- 150 deg


assign (resid 1 and name c) (resid 2 and name n)
        (resid 2 and name ca) (resid 2 and name c) 1 -60 20 2

assign (resid 3 and name c) (resid 4 and name n)
        (resid 4 and name ca) (resid 4 and name c) 1 -120 30 2

assign (resid 4 and name c) (resid 5 and name n)
        (resid 5 and name ca) (resid 5 and name c) 1 -120 30 2

assign (resid 5 and name c) (resid 6 and name n)
        (resid 6 and name ca) (resid 6 and name c) 1 60 150 2

assign (resid 6 and name c) (resid 7 and name n)
        (resid 7 and name ca) (resid 7 and name c) 1 -60 20 2

assign (resid 7 and name c) (resid 8 and name n)
        (resid 8 and name ca) (resid 8 and name c) 1 -60 20 2

assign (resid 8 and name c) (resid 9 and name n)
        (resid 9 and name ca) (resid 9 and name c) 1 -60 20 2

assign (resid 10 and name c) (resid 11 and name n)
        (resid 11 and name ca) (resid 11 and name c) 1 -60 20 2

assign (resid 12 and name c) (resid 13 and name n)
        (resid 13 and name ca) (resid 13 and name c) 1 -60 20 2

assign (resid 13 and name c) (resid 14 and name n)
        (resid 14 and name ca) (resid 14 and name c) 1 -60 20 2

assign (resid 14 and name c) (resid 15 and name n)
        (resid 15 and name ca) (resid 15 and name c) 1 -60 20 2

assign (resid 15 and name c) (resid 16 and name n)
        (resid 16 and name ca) (resid 16 and name c) 1 -60 20 2

assign (resid 16 and name c) (resid 17 and name n)
        (resid 17 and name ca) (resid 17 and name c) 1 -60 20 2

assign (resid 17 and name c) (resid 18 and name n)
        (resid 18 and name ca) (resid 18 and name c) 1 -120 30 2

assign (resid 19 and name c) (resid 20 and name n)
        (resid 20 and name ca) (resid 20 and name c) 1 -120 30 2

assign (resid 22 and name c) (resid 23 and name n)
        (resid 23 and name ca) (resid 23 and name c) 1 -120 30 2

assign (resid 23 and name c) (resid 24 and name n)
        (resid 24 and name ca) (resid 24 and name c) 1 -120 30 2

assign (resid 24 and name c) (resid 25 and name n)
        (resid 25 and name ca) (resid 25 and name c) 1 -120 30 2

assign (resid 25 and name c) (resid 26 and name n)
        (resid 26 and name ca) (resid 26 and name c) 1 -120 30 2

assign (resid 26 and name c) (resid 27 and name n)
        (resid 27 and name ca) (resid 27 and name c) 1 60 150 2

assign (resid 27 and name c) (resid 28 and name n)
        (resid 28 and name ca) (resid 28 and name c) 1 60 150 2

assign (resid 28 and name c) (resid 29 and name n)
        (resid 29 and name ca) (resid 29 and name c) 1 -120 30 2

assign (resid 30 and name c) (resid 31 and name n)
        (resid 31 and name ca) (resid 31 and name c) 1 -120 30 2

assign (resid 31 and name c) (resid 32 and name n)
        (resid 32 and name ca) (resid 32 and name c) 1 -120 30 2

assign (resid 32 and name c) (resid 33 and name n)
        (resid 33 and name ca) (resid 33 and name c) 1 60 150 2

assign (resid 34 and name c) (resid 35 and name n)
        (resid 35 and name ca) (resid 35 and name c) 1 60 150 2

!       scale=1.0
end
flags include cdih end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   4           HT1      THR   4   7.316  -4.386  -5.309
    2   2H    THR   4           HT2      THR   4   8.425  -3.650  -6.365
    3   3H    THR   4           HT3      THR   4   7.411  -4.893  -6.925
    4    HA   THR   4           HA       THR   4   6.253  -3.131  -7.724
    5    HB   THR   4           HB       THR   4   5.203  -2.841  -4.931
    6    HG1  THR   4           HG1      THR   4   4.469  -4.872  -4.910
    7   1HG2  THR   4          HG21      THR   4   4.218  -1.862  -7.128
    8   2HG2  THR   4          HG22      THR   4   3.121  -2.681  -6.015
    9   3HG2  THR   4          HG23      THR   4   3.705  -3.516  -7.455
   10    H    ILE   5           HN       ILE   5   5.174  -1.024  -5.763
   11    HA   ILE   5           HA       ILE   5   6.892   1.089  -6.428
   12    HB   ILE   5           HB       ILE   5   5.617   2.367  -4.844
   13   1HG1  ILE   5          HG12      ILE   5   3.955   0.590  -3.506
   14   2HG1  ILE   5          HG11      ILE   5   5.534  -0.196  -3.447
   15   1HG2  ILE   5          HG21      ILE   5   3.454   1.986  -5.671
   16   2HG2  ILE   5          HG22      ILE   5   3.684   0.237  -5.707
   17   3HG2  ILE   5          HG23      ILE   5   4.486   1.257  -6.901
   18   1HD1  ILE   5          HD11      ILE   5   4.607   2.052  -1.922
   19   2HD1  ILE   5          HD12      ILE   5   5.961   2.566  -2.926
   20   3HD1  ILE   5          HD13      ILE   5   6.154   1.214  -1.810
   21    H    SER   6           HN       SER   6   7.456   2.441  -4.047
   22    HA   SER   6           HA       SER   6   9.298   0.624  -2.566
   23   1HB   SER   6           HB2      SER   6  10.593   3.141  -2.849
   24   2HB   SER   6           HB1      SER   6  11.112   1.584  -3.484
   25    HG   SER   6           HG       SER   6   9.860   3.699  -4.733
   26    H    CYS   7           HN       CYS   7   8.014   0.775  -0.693
   27    HA   CYS   7           HA       CYS   7   7.980   3.481   0.573
   28   1HB   CYS   7           HB2      CYS   7   5.770   2.922   1.558
   29   2HB   CYS   7           HB1      CYS   7   5.707   2.971  -0.204
   30    H    THR   8           HN       THR   8   7.305   3.044   3.057
   31    HA   THR   8           HA       THR   8   8.818   0.649   4.001
   32    HB   THR   8           HB       THR   8  10.345   1.891   5.110
   33    HG1  THR   8           HG1      THR   8   8.563   3.886   5.904
   34   1HG2  THR   8          HG21      THR   8  10.465   4.358   4.494
   35   2HG2  THR   8          HG22      THR   8   8.989   4.108   3.563
   36   3HG2  THR   8          HG23      THR   8  10.461   3.234   3.136
   37    H    ASN   9           HN       ASN   9   6.846   3.363   5.281
   38    HA   ASN   9           HA       ASN   9   5.678   1.587   7.303
   39   1HB   ASN   9           HB2      ASN   9   6.122   4.306   7.173
   40   2HB   ASN   9           HB1      ASN   9   4.385   4.195   6.881
   41   1HD2  ASN   9          HD21      ASN   9   6.889   3.816   9.301
   42   2HD2  ASN   9          HD22      ASN   9   5.857   3.403  10.584
   43    H    GLU  10           HN       GLU  10   3.306   1.310   7.474
   44    HA   GLU  10           HA       GLU  10   2.159   0.454   4.969
   45   1HB   GLU  10           HB2      GLU  10   0.166  -0.063   6.314
   46   2HB   GLU  10           HB1      GLU  10   1.624  -0.625   7.134
   47   1HG   GLU  10           HG2      GLU  10   0.676   0.488   8.904
   48   2HG   GLU  10           HG1      GLU  10   1.490   1.864   8.158
   49    H    LYS  11           HN       LYS  11   1.945   3.398   6.862
   50    HA   LYS  11           HA       LYS  11  -0.446   4.456   5.688
   51   1HB   LYS  11           HB2      LYS  11   0.954   5.291   7.732
   52   2HB   LYS  11           HB1      LYS  11   1.866   6.193   6.522
   53   1HG   LYS  11           HG2      LYS  11   0.223   7.723   6.325
   54   2HG   LYS  11           HG1      LYS  11  -0.986   6.465   6.069
   55   1HD   LYS  11           HD2      LYS  11  -1.367   6.203   8.399
   56   2HD   LYS  11           HD1      LYS  11   0.102   7.085   8.817
   57   1HE   LYS  11           HE2      LYS  11  -1.145   8.954   8.968
   58   2HE   LYS  11           HE1      LYS  11  -1.405   8.853   7.227
   59   1HZ   LYS  11           HZ1      LYS  11  -3.215   8.299   9.372
   60   2HZ   LYS  11           HZ2      LYS  11  -3.126   7.016   8.262
   61   3HZ   LYS  11           HZ3      LYS  11  -3.539   8.575   7.730
   62    H    GLN  12           HN       GLN  12   2.635   3.875   4.354
   63    HA   GLN  12           HA       GLN  12   2.750   6.056   2.472
   64   1HB   GLN  12           HB2      GLN  12   4.160   3.474   2.879
   65   2HB   GLN  12           HB1      GLN  12   4.184   4.124   1.238
   66   1HG   GLN  12           HG2      GLN  12   4.739   6.033   3.458
   67   2HG   GLN  12           HG1      GLN  12   5.994   4.852   3.082
   68   1HE2  GLN  12          HE21      GLN  12   5.028   7.936   2.297
   69   2HE2  GLN  12          HE22      GLN  12   5.668   8.041   0.728
   70    H    CYS  13           HN       CYS  13   1.188   2.891   2.430
   71    HA   CYS  13           HA       CYS  13   0.477   3.236  -0.425
   72   1HB   CYS  13           HB2      CYS  13  -0.489   1.001   1.349
   73   2HB   CYS  13           HB1      CYS  13  -0.226   0.989  -0.395
   74    H    TYR  14           HN       TYR  14  -0.637   4.783   2.070
   75    HA   TYR  14           HA       TYR  14  -3.414   4.086   2.240
   76   1HB   TYR  14           HB2      TYR  14  -1.724   6.383   3.068
   77   2HB   TYR  14           HB1      TYR  14  -3.445   6.718   2.872
   78    HD1  TYR  14           HD1      TYR  14  -2.015   3.433   3.822
   79    HD2  TYR  14           HD2      TYR  14  -4.010   6.979   5.201
   80    HE1  TYR  14           HE1      TYR  14  -2.454   2.338   6.004
   81    HE2  TYR  14           HE2      TYR  14  -4.451   5.882   7.381
   82    HH   TYR  14           HH       TYR  14  -4.340   3.982   8.538
   83    HA   PRO  15           HA       PRO  15  -4.096   7.419  -1.124
   84   1HB   PRO  15           HB2      PRO  15  -1.872   8.528  -2.289
   85   2HB   PRO  15           HB1      PRO  15  -2.644   9.193  -0.839
   86   1HG   PRO  15           HG2      PRO  15  -0.096   7.662  -1.074
   87   2HG   PRO  15           HG1      PRO  15  -0.585   8.845   0.150
   88   1HD   PRO  15           HD2      PRO  15  -0.598   6.029   0.460
   89   2HD   PRO  15           HD1      PRO  15  -1.372   7.210   1.537
   90    H    HIS  16           HN       HIS  16  -1.551   5.082  -1.395
   91    HA   HIS  16           HA       HIS  16  -1.433   4.856  -4.258
   92   1HB   HIS  16           HB2      HIS  16   0.193   3.917  -2.482
   93   2HB   HIS  16           HB1      HIS  16  -0.955   2.589  -2.319
   94    HD1  HIS  16           HD1      HIS  16   0.010   0.672  -3.592
   95    HD2  HIS  16           HD2      HIS  16   0.403   4.256  -5.679
   96    HE1  HIS  16           HE1      HIS  16   1.022   0.084  -5.838
   97    H    CYS  17           HN       CYS  17  -2.998   2.711  -1.859
   98    HA   CYS  17           HA       CYS  17  -4.548   1.352  -3.897
   99   1HB   CYS  17           HB2      CYS  17  -4.689   1.391  -0.874
  100   2HB   CYS  17           HB1      CYS  17  -5.766   0.411  -1.870
  101    H    LYS  18           HN       LYS  18  -5.151   4.045  -1.686
  102    HA   LYS  18           HA       LYS  18  -7.967   4.180  -1.914
  103   1HB   LYS  18           HB2      LYS  18  -6.578   5.582  -0.382
  104   2HB   LYS  18           HB1      LYS  18  -6.038   6.516  -1.778
  105   1HG   LYS  18           HG2      LYS  18  -8.342   7.179  -2.264
  106   2HG   LYS  18           HG1      LYS  18  -8.929   6.191  -0.925
  107   1HD   LYS  18           HD2      LYS  18  -7.252   7.603   0.507
  108   2HD   LYS  18           HD1      LYS  18  -7.349   8.746  -0.834
  109   1HE   LYS  18           HE2      LYS  18  -9.997   8.100  -0.416
  110   2HE   LYS  18           HE1      LYS  18  -9.345   8.103   1.223
  111   1HZ   LYS  18           HZ1      LYS  18 -10.048  10.300   0.685
  112   2HZ   LYS  18           HZ2      LYS  18  -9.173  10.293  -0.771
  113   3HZ   LYS  18           HZ3      LYS  18  -8.352  10.295   0.717
  114    H    LYS  19           HN       LYS  19  -5.463   5.656  -3.990
  115    HA   LYS  19           HA       LYS  19  -7.473   6.713  -5.834
  116   1HB   LYS  19           HB2      LYS  19  -5.300   7.856  -5.447
  117   2HB   LYS  19           HB1      LYS  19  -4.472   6.481  -6.178
  118   1HG   LYS  19           HG2      LYS  19  -5.890   6.850  -8.244
  119   2HG   LYS  19           HG1      LYS  19  -6.439   8.357  -7.512
  120   1HD   LYS  19           HD2      LYS  19  -4.260   9.295  -7.544
  121   2HD   LYS  19           HD1      LYS  19  -3.503   7.730  -7.837
  122   1HE   LYS  19           HE2      LYS  19  -5.425   8.997  -9.797
  123   2HE   LYS  19           HE1      LYS  19  -3.684   9.265  -9.867
  124   1HZ   LYS  19           HZ1      LYS  19  -3.954   7.461 -11.241
  125   2HZ   LYS  19           HZ2      LYS  19  -5.200   6.782 -10.306
  126   3HZ   LYS  19           HZ3      LYS  19  -3.589   6.699  -9.771
  127    H    GLU  20           HN       GLU  20  -5.670   3.751  -5.537
  128    HA   GLU  20           HA       GLU  20  -5.931   3.039  -8.358
  129   1HB   GLU  20           HB2      GLU  20  -4.645   1.942  -5.989
  130   2HB   GLU  20           HB1      GLU  20  -5.461   0.689  -6.927
  131   1HG   GLU  20           HG2      GLU  20  -4.292   1.391  -8.953
  132   2HG   GLU  20           HG1      GLU  20  -3.541   2.731  -8.086
  133    H    THR  21           HN       THR  21  -7.230   1.391  -5.453
  134    HA   THR  21           HA       THR  21  -9.482   0.420  -7.120
  135    HB   THR  21           HB       THR  21  -9.882  -1.176  -5.390
  136    HG1  THR  21           HG1      THR  21  -8.818  -0.955  -3.369
  137   1HG2  THR  21          HG21      THR  21  -7.375  -1.857  -4.820
  138   2HG2  THR  21          HG22      THR  21  -7.013  -0.628  -6.030
  139   3HG2  THR  21          HG23      THR  21  -8.011  -2.018  -6.456
  140    H    GLY  22           HN       GLY  22  -8.830   2.522  -4.373
  141   1HA   GLY  22           HA2      GLY  22 -10.456   4.439  -4.150
  142   2HA   GLY  22           HA1      GLY  22 -11.736   3.239  -4.339
  143    H    TYR  23           HN       TYR  23  -9.435   1.664  -2.639
  144    HA   TYR  23           HA       TYR  23 -10.753   2.337  -0.057
  145   1HB   TYR  23           HB2      TYR  23  -9.668  -0.122  -1.273
  146   2HB   TYR  23           HB1      TYR  23  -9.257   0.090   0.429
  147    HD1  TYR  23           HD1      TYR  23 -12.267   0.777  -1.719
  148    HD2  TYR  23           HD2      TYR  23 -10.715  -0.988   1.877
  149    HE1  TYR  23           HE1      TYR  23 -14.555   0.063  -1.081
  150    HE2  TYR  23           HE2      TYR  23 -13.002  -1.700   2.515
  151    HH   TYR  23           HH       TYR  23 -15.482  -1.940   0.492
  152    HA   PRO  24           HA       PRO  24  -6.886   4.170   1.139
  153   1HB   PRO  24           HB2      PRO  24  -7.610   4.685   3.741
  154   2HB   PRO  24           HB1      PRO  24  -8.144   5.668   2.366
  155   1HG   PRO  24           HG2      PRO  24  -9.692   3.689   3.968
  156   2HG   PRO  24           HG1      PRO  24 -10.271   5.088   3.048
  157   1HD   PRO  24           HD2      PRO  24 -10.389   2.377   2.218
  158   2HD   PRO  24           HD1      PRO  24 -10.685   3.802   1.197
  159    H    ASN  25           HN       ASN  25  -8.337   1.356   2.556
  160    HA   ASN  25           HA       ASN  25  -6.299   0.768   4.509
  161   1HB   ASN  25           HB2      ASN  25  -8.369  -0.926   3.099
  162   2HB   ASN  25           HB1      ASN  25  -7.240  -1.605   4.272
  163   1HD2  ASN  25          HD21      ASN  25  -7.211  -0.378   6.471
  164   2HD2  ASN  25          HD22      ASN  25  -8.701   0.192   7.049
  165    H    ALA  26           HN       ALA  26  -4.207   0.633   3.810
  166    HA   ALA  26           HA       ALA  26  -3.600  -1.408   1.737
  167   1HB   ALA  26           HB1      ALA  26  -2.479   1.411   1.728
  168   2HB   ALA  26           HB2      ALA  26  -3.633   0.764   0.560
  169   3HB   ALA  26           HB3      ALA  26  -1.996   0.111   0.638
  170    H    LYS  27           HN       LYS  27  -1.337  -2.153   1.890
  171    HA   LYS  27           HA       LYS  27  -0.090  -1.465   4.523
  172   1HB   LYS  27           HB2      LYS  27  -1.107  -3.984   3.644
  173   2HB   LYS  27           HB1      LYS  27   0.650  -4.110   3.736
  174   1HG   LYS  27           HG2      LYS  27  -0.545  -4.643   5.898
  175   2HG   LYS  27           HG1      LYS  27   0.657  -3.360   6.028
  176   1HD   LYS  27           HD2      LYS  27  -0.910  -1.750   6.424
  177   2HD   LYS  27           HD1      LYS  27  -2.073  -2.467   5.308
  178   1HE   LYS  27           HE2      LYS  27  -3.162  -3.042   7.232
  179   2HE   LYS  27           HE1      LYS  27  -2.015  -4.381   7.235
  180   1HZ   LYS  27           HZ1      LYS  27  -0.530  -3.066   8.606
  181   2HZ   LYS  27           HZ2      LYS  27  -2.042  -3.239   9.360
  182   3HZ   LYS  27           HZ3      LYS  27  -1.629  -1.775   8.604
  183    H    CYS  28           HN       CYS  28   2.251  -1.712   4.584
  184    HA   CYS  28           HA       CYS  28   3.528  -1.700   1.878
  185   1HB   CYS  28           HB2      CYS  28   3.463   0.597   2.697
  186   2HB   CYS  28           HB1      CYS  28   4.137   0.095   4.247
  187    H    MET  29           HN       MET  29   4.459  -3.741   1.964
  188    HA   MET  29           HA       MET  29   6.380  -4.195   4.209
  189   1HB   MET  29           HB2      MET  29   4.308  -5.623   4.392
  190   2HB   MET  29           HB1      MET  29   4.748  -6.355   2.848
  191   1HG   MET  29           HG2      MET  29   6.671  -7.366   3.728
  192   2HG   MET  29           HG1      MET  29   6.743  -6.256   5.098
  193   1HE   MET  29           HE1      MET  29   3.322  -7.434   3.986
  194   2HE   MET  29           HE2      MET  29   3.155  -9.067   4.625
  195   3HE   MET  29           HE3      MET  29   4.309  -8.748   3.333
  196    H    ASN  30           HN       ASN  30   8.426  -4.660   3.505
  197    HA   ASN  30           HA       ASN  30  10.182  -5.173   2.038
  198   1HB   ASN  30           HB2      ASN  30   7.911  -6.833   1.078
  199   2HB   ASN  30           HB1      ASN  30   9.237  -6.593  -0.059
  200   1HD2  ASN  30          HD21      ASN  30   8.901  -7.289   3.478
  201   2HD2  ASN  30          HD22      ASN  30  10.121  -8.469   3.504
  202    H    ARG  31           HN       ARG  31   8.844  -2.687   1.746
  203    HA   ARG  31           HA       ARG  31   8.758  -0.886   0.248
  204   1HB   ARG  31           HB2      ARG  31  10.309  -2.693  -1.621
  205   2HB   ARG  31           HB1      ARG  31  10.277  -0.929  -1.616
  206   1HG   ARG  31           HG2      ARG  31  11.250  -0.992   0.706
  207   2HG   ARG  31           HG1      ARG  31  11.443  -2.735   0.520
  208   1HD   ARG  31           HD2      ARG  31  12.603  -1.911  -1.777
  209   2HD   ARG  31           HD1      ARG  31  12.952  -0.516  -0.756
  210    HE   ARG  31           HE       ARG  31  13.589  -3.071   0.514
  211   1HH1  ARG  31          HH21      ARG  31  14.673  -1.144  -2.080
  212   2HH1  ARG  31          HH22      ARG  31  16.331  -1.133  -1.578
  213   1HH2  ARG  31          HH11      ARG  31  15.718  -2.806   1.396
  214   2HH2  ARG  31          HH12      ARG  31  16.923  -2.076   0.388
  215    H    LYS  32           HN       LYS  32   6.834  -3.332   0.036
  216    HA   LYS  32           HA       LYS  32   5.822  -2.627  -2.691
  217   1HB   LYS  32           HB2      LYS  32   4.973  -4.832  -2.957
  218   2HB   LYS  32           HB1      LYS  32   6.599  -5.041  -2.311
  219   1HG   LYS  32           HG2      LYS  32   5.764  -6.165  -0.557
  220   2HG   LYS  32           HG1      LYS  32   4.804  -4.759  -0.102
  221   1HD   LYS  32           HD2      LYS  32   3.215  -6.490  -0.445
  222   2HD   LYS  32           HD1      LYS  32   3.144  -5.518  -1.916
  223   1HE   LYS  32           HE2      LYS  32   3.573  -7.399  -3.083
  224   2HE   LYS  32           HE1      LYS  32   5.190  -7.386  -2.378
  225   1HZ   LYS  32           HZ1      LYS  32   4.583  -9.332  -1.502
  226   2HZ   LYS  32           HZ2      LYS  32   2.926  -9.058  -1.762
  227   3HZ   LYS  32           HZ3      LYS  32   3.692  -8.414  -0.389
  228    H    CYS  33           HN       CYS  33   3.514  -2.388  -2.891
  229    HA   CYS  33           HA       CYS  33   2.181  -1.825  -0.273
  230   1HB   CYS  33           HB2      CYS  33   2.006  -0.506  -2.975
  231   2HB   CYS  33           HB1      CYS  33   0.676  -0.360  -1.827
  232    H    LYS  34           HN       LYS  34   0.044  -2.574   0.021
  233    HA   LYS  34           HA       LYS  34  -1.012  -4.361  -2.128
  234   1HB   LYS  34           HB2      LYS  34  -0.426  -4.961   0.721
  235   2HB   LYS  34           HB1      LYS  34  -1.957  -5.576   0.100
  236   1HG   LYS  34           HG2      LYS  34   0.542  -5.951  -1.519
  237   2HG   LYS  34           HG1      LYS  34   0.222  -7.027  -0.158
  238   1HD   LYS  34           HD2      LYS  34  -1.623  -7.979  -1.164
  239   2HD   LYS  34           HD1      LYS  34  -2.017  -6.516  -2.066
  240   1HE   LYS  34           HE2      LYS  34  -0.290  -6.923  -3.667
  241   2HE   LYS  34           HE1      LYS  34   0.435  -8.182  -2.668
  242   1HZ   LYS  34           HZ1      LYS  34  -1.469  -9.566  -3.007
  243   2HZ   LYS  34           HZ2      LYS  34  -0.913  -9.048  -4.527
  244   3HZ   LYS  34           HZ3      LYS  34  -2.291  -8.335  -3.835
  245    H    CYS  35           HN       CYS  35  -3.348  -4.521  -2.159
  246    HA   CYS  35           HA       CYS  35  -4.669  -2.244  -0.736
  247   1HB   CYS  35           HB2      CYS  35  -5.425  -3.552  -3.368
  248   2HB   CYS  35           HB1      CYS  35  -6.263  -2.195  -2.615
  249    H    PHE  36           HN       PHE  36  -6.030  -2.900   0.837
  250    HA   PHE  36           HA       PHE  36  -7.038  -5.679   0.838
  251   1HB   PHE  36           HB2      PHE  36  -6.997  -3.432   2.845
  252   2HB   PHE  36           HB1      PHE  36  -8.049  -4.826   3.085
  253    HD1  PHE  36           HD1      PHE  36  -6.694  -5.299   5.167
  254    HD2  PHE  36           HD2      PHE  36  -4.987  -5.417   1.227
  255    HE1  PHE  36           HE1      PHE  36  -4.772  -6.598   6.038
  256    HE2  PHE  36           HE2      PHE  36  -3.066  -6.718   2.099
  257    HZ   PHE  36           HZ       PHE  36  -2.956  -7.307   4.504
  258    H    GLY  37           HN       GLY  37  -8.006  -3.041  -0.735
  259   1HA   GLY  37           HA2      GLY  37 -10.908  -3.492  -0.155
  260   2HA   GLY  37           HA1      GLY  37 -10.257  -1.972  -0.770
  261    H    ARG  38           HN       ARG  38  -9.282  -5.169  -1.915
  262    HA   ARG  38           HA       ARG  38  -9.519  -4.501  -4.658
  263   1HB   ARG  38           HB2      ARG  38  -9.337  -6.896  -5.094
  264   2HB   ARG  38           HB1      ARG  38  -8.251  -6.461  -3.775
  265   1HG   ARG  38           HG2      ARG  38  -9.264  -8.259  -2.769
  266   2HG   ARG  38           HG1      ARG  38 -10.455  -7.032  -2.336
  267   1HD   ARG  38           HD2      ARG  38 -11.379  -9.179  -3.383
  268   2HD   ARG  38           HD1      ARG  38 -11.905  -7.664  -4.120
  269    HE   ARG  38           HE       ARG  38  -9.546  -8.988  -5.323
  270   1HH1  ARG  38          HH11      ARG  38 -12.587 -10.062  -5.439
  271   2HH1  ARG  38          HH12      ARG  38 -12.936  -9.621  -7.078
  272   1HH2  ARG  38          HH21      ARG  38 -10.123  -7.619  -7.415
  273   2HH2  ARG  38          HH22      ARG  38 -11.540  -8.238  -8.196
  Start of MODEL    2
    1   1H    THR   4           HT1      THR   4   6.880  -2.613  -8.004
    2   2H    THR   4           HT2      THR   4   6.739  -1.444  -9.229
    3   3H    THR   4           HT3      THR   4   5.886  -2.909  -9.348
    4    HA   THR   4           HA       THR   4   4.367  -1.192  -8.696
    5    HB   THR   4           HB       THR   4   4.886  -2.635  -6.125
    6    HG1  THR   4           HG1      THR   4   4.427  -4.566  -7.025
    7   1HG2  THR   4          HG21      THR   4   2.651  -1.511  -7.626
    8   2HG2  THR   4          HG22      THR   4   2.753  -1.931  -5.916
    9   3HG2  THR   4          HG23      THR   4   2.334  -3.166  -7.105
   10    H    ILE   5           HN       ILE   5   3.959  -0.453  -5.962
   11    HA   ILE   5           HA       ILE   5   5.662   1.892  -5.845
   12    HB   ILE   5           HB       ILE   5   3.914   1.058  -3.584
   13   1HG1  ILE   5          HG12      ILE   5   2.500   0.546  -5.483
   14   2HG1  ILE   5          HG11      ILE   5   1.979   2.096  -4.829
   15   1HG2  ILE   5          HG21      ILE   5   4.271   3.193  -3.008
   16   2HG2  ILE   5          HG22      ILE   5   3.557   3.730  -4.530
   17   3HG2  ILE   5          HG23      ILE   5   5.285   3.393  -4.437
   18   1HD1  ILE   5          HD11      ILE   5   4.102   2.394  -6.817
   19   2HD1  ILE   5          HD12      ILE   5   2.534   3.196  -6.718
   20   3HD1  ILE   5          HD13      ILE   5   2.667   1.609  -7.476
   21    H    SER   6           HN       SER   6   6.887   2.456  -3.857
   22    HA   SER   6           HA       SER   6   7.968   0.053  -2.447
   23   1HB   SER   6           HB2      SER   6  10.212   1.104  -2.528
   24   2HB   SER   6           HB1      SER   6   9.597   0.788  -4.148
   25    HG   SER   6           HG       SER   6  10.212   3.142  -2.941
   26    H    CYS   7           HN       CYS   7   7.556   0.310  -0.289
   27    HA   CYS   7           HA       CYS   7   7.910   3.013   0.884
   28   1HB   CYS   7           HB2      CYS   7   5.725   2.726   2.120
   29   2HB   CYS   7           HB1      CYS   7   5.554   2.992   0.386
   30    H    THR   8           HN       THR   8   7.381   2.771   3.370
   31    HA   THR   8           HA       THR   8   8.362   0.164   4.411
   32    HB   THR   8           HB       THR   8  10.382   1.448   4.387
   33    HG1  THR   8           HG1      THR   8  10.801   1.468   6.506
   34   1HG2  THR   8          HG21      THR   8   8.540   3.650   4.636
   35   2HG2  THR   8          HG22      THR   8  10.237   3.677   4.161
   36   3HG2  THR   8          HG23      THR   8   9.797   3.784   5.865
   37    H    ASN   9           HN       ASN   9   5.879   2.091   4.307
   38    HA   ASN   9           HA       ASN   9   5.050   1.533   7.085
   39   1HB   ASN   9           HB2      ASN   9   6.026   3.813   7.167
   40   2HB   ASN   9           HB1      ASN   9   4.935   4.314   5.876
   41   1HD2  ASN   9          HD21      ASN   9   3.655   5.791   7.114
   42   2HD2  ASN   9          HD22      ASN   9   2.682   5.300   8.416
   43    H    GLU  10           HN       GLU  10   2.733   1.475   7.275
   44    HA   GLU  10           HA       GLU  10   1.349   0.644   4.911
   45   1HB   GLU  10           HB2      GLU  10   0.120   1.615   7.506
   46   2HB   GLU  10           HB1      GLU  10  -0.629   0.554   6.313
   47   1HG   GLU  10           HG2      GLU  10   0.585  -1.277   6.974
   48   2HG   GLU  10           HG1      GLU  10   2.001  -0.313   7.400
   49    H    LYS  11           HN       LYS  11   1.383   3.728   6.683
   50    HA   LYS  11           HA       LYS  11  -0.704   5.037   5.301
   51   1HB   LYS  11           HB2      LYS  11   0.409   6.000   7.274
   52   2HB   LYS  11           HB1      LYS  11   1.887   6.226   6.336
   53   1HG   LYS  11           HG2      LYS  11   0.576   7.663   4.743
   54   2HG   LYS  11           HG1      LYS  11  -0.796   7.546   5.847
   55   1HD   LYS  11           HD2      LYS  11   0.959   8.341   7.644
   56   2HD   LYS  11           HD1      LYS  11   1.830   8.946   6.233
   57   1HE   LYS  11           HE2      LYS  11  -1.078   9.566   6.814
   58   2HE   LYS  11           HE1      LYS  11   0.262  10.630   7.248
   59   1HZ   LYS  11           HZ1      LYS  11  -0.781   9.936   4.596
   60   2HZ   LYS  11           HZ2      LYS  11   0.872  10.294   4.749
   61   3HZ   LYS  11           HZ3      LYS  11  -0.294  11.443   5.202
   62    H    GLN  12           HN       GLN  12   2.398   4.060   4.136
   63    HA   GLN  12           HA       GLN  12   2.710   6.027   2.062
   64   1HB   GLN  12           HB2      GLN  12   3.728   3.181   2.296
   65   2HB   GLN  12           HB1      GLN  12   4.219   4.301   1.024
   66   1HG   GLN  12           HG2      GLN  12   4.664   4.585   4.004
   67   2HG   GLN  12           HG1      GLN  12   5.887   4.465   2.739
   68   1HE2  GLN  12          HE21      GLN  12   5.426   6.706   4.705
   69   2HE2  GLN  12          HE22      GLN  12   5.191   8.091   3.753
   70    H    CYS  13           HN       CYS  13   1.218   2.780   2.078
   71    HA   CYS  13           HA       CYS  13   0.315   3.167  -0.707
   72   1HB   CYS  13           HB2      CYS  13  -0.586   0.882   1.019
   73   2HB   CYS  13           HB1      CYS  13  -0.241   0.904  -0.711
   74    H    TYR  14           HN       TYR  14  -0.705   4.687   1.824
   75    HA   TYR  14           HA       TYR  14  -3.511   3.896   1.962
   76   1HB   TYR  14           HB2      TYR  14  -1.760   5.865   3.280
   77   2HB   TYR  14           HB1      TYR  14  -3.423   6.410   3.051
   78    HD1  TYR  14           HD1      TYR  14  -4.577   6.139   5.075
   79    HD2  TYR  14           HD2      TYR  14  -1.963   3.021   3.696
   80    HE1  TYR  14           HE1      TYR  14  -5.303   4.696   6.956
   81    HE2  TYR  14           HE2      TYR  14  -2.690   1.579   5.578
   82    HH   TYR  14           HH       TYR  14  -5.252   2.614   7.804
   83    HA   PRO  15           HA       PRO  15  -4.118   7.871  -0.601
   84   1HB   PRO  15           HB2      PRO  15  -1.866   9.115  -1.577
   85   2HB   PRO  15           HB1      PRO  15  -2.610   9.512  -0.017
   86   1HG   PRO  15           HG2      PRO  15  -0.112   7.979  -0.569
   87   2HG   PRO  15           HG1      PRO  15  -0.560   8.916   0.866
   88   1HD   PRO  15           HD2      PRO  15  -0.654   6.100   0.629
   89   2HD   PRO  15           HD1      PRO  15  -1.405   7.064   1.919
   90    H    HIS  16           HN       HIS  16  -1.516   5.684  -1.475
   91    HA   HIS  16           HA       HIS  16  -1.967   5.979  -4.351
   92   1HB   HIS  16           HB2      HIS  16   0.096   5.071  -4.411
   93   2HB   HIS  16           HB1      HIS  16   0.049   4.847  -2.668
   94    HD1  HIS  16           HD1      HIS  16   0.095   2.995  -5.818
   95    HD2  HIS  16           HD2      HIS  16  -1.146   2.227  -1.914
   96    HE1  HIS  16           HE1      HIS  16  -0.150   0.482  -5.626
   97    H    CYS  17           HN       CYS  17  -3.014   3.824  -1.763
   98    HA   CYS  17           HA       CYS  17  -4.265   1.922  -3.597
   99   1HB   CYS  17           HB2      CYS  17  -4.254   2.300  -0.610
  100   2HB   CYS  17           HB1      CYS  17  -5.387   1.180  -1.366
  101    H    LYS  18           HN       LYS  18  -5.198   4.864  -1.964
  102    HA   LYS  18           HA       LYS  18  -8.032   4.526  -2.023
  103   1HB   LYS  18           HB2      LYS  18  -6.794   6.359  -0.828
  104   2HB   LYS  18           HB1      LYS  18  -6.482   7.105  -2.395
  105   1HG   LYS  18           HG2      LYS  18  -8.771   7.551  -2.771
  106   2HG   LYS  18           HG1      LYS  18  -9.286   6.411  -1.527
  107   1HD   LYS  18           HD2      LYS  18  -9.127   7.972   0.094
  108   2HD   LYS  18           HD1      LYS  18  -7.516   8.453  -0.440
  109   1HE   LYS  18           HE2      LYS  18  -9.718   9.283  -2.230
  110   2HE   LYS  18           HE1      LYS  18  -9.722  10.047  -0.641
  111   1HZ   LYS  18           HZ1      LYS  18  -7.138  10.198  -1.274
  112   2HZ   LYS  18           HZ2      LYS  18  -8.262  11.427  -1.611
  113   3HZ   LYS  18           HZ3      LYS  18  -7.827  10.314  -2.819
  114    H    LYS  19           HN       LYS  19  -5.907   6.231  -4.352
  115    HA   LYS  19           HA       LYS  19  -8.070   6.380  -6.318
  116   1HB   LYS  19           HB2      LYS  19  -5.647   7.735  -5.887
  117   2HB   LYS  19           HB1      LYS  19  -5.425   6.868  -7.407
  118   1HG   LYS  19           HG2      LYS  19  -6.407   8.943  -8.026
  119   2HG   LYS  19           HG1      LYS  19  -7.732   7.781  -8.076
  120   1HD   LYS  19           HD2      LYS  19  -7.806   8.592  -5.455
  121   2HD   LYS  19           HD1      LYS  19  -7.316  10.075  -6.275
  122   1HE   LYS  19           HE2      LYS  19  -9.616   8.406  -7.287
  123   2HE   LYS  19           HE1      LYS  19  -9.849   9.638  -6.047
  124   1HZ   LYS  19           HZ1      LYS  19  -8.559  10.151  -8.669
  125   2HZ   LYS  19           HZ2      LYS  19  -9.014  11.302  -7.505
  126   3HZ   LYS  19           HZ3      LYS  19 -10.201  10.434  -8.355
  127    H    GLU  20           HN       GLU  20  -5.602   4.100  -5.520
  128    HA   GLU  20           HA       GLU  20  -5.323   2.943  -8.162
  129   1HB   GLU  20           HB2      GLU  20  -3.592   2.619  -6.459
  130   2HB   GLU  20           HB1      GLU  20  -4.744   1.770  -5.427
  131   1HG   GLU  20           HG2      GLU  20  -3.646   0.000  -6.498
  132   2HG   GLU  20           HG1      GLU  20  -5.076   0.218  -7.508
  133    H    THR  21           HN       THR  21  -7.388   2.228  -5.352
  134    HA   THR  21           HA       THR  21  -9.023   0.525  -7.169
  135    HB   THR  21           HB       THR  21  -7.473  -0.805  -5.584
  136    HG1  THR  21           HG1      THR  21 -10.190  -1.372  -5.170
  137   1HG2  THR  21          HG21      THR  21  -8.192  -1.041  -3.299
  138   2HG2  THR  21          HG22      THR  21  -9.599  -0.017  -3.578
  139   3HG2  THR  21          HG23      THR  21  -7.979   0.681  -3.608
  140    H    GLY  22           HN       GLY  22  -8.917   2.219  -4.021
  141   1HA   GLY  22           HA2      GLY  22 -10.918   3.956  -4.100
  142   2HA   GLY  22           HA1      GLY  22 -11.874   2.473  -4.110
  143    H    TYR  23           HN       TYR  23  -9.439   1.408  -2.380
  144    HA   TYR  23           HA       TYR  23 -10.500   2.521   0.185
  145   1HB   TYR  23           HB2      TYR  23  -9.327  -0.246  -0.129
  146   2HB   TYR  23           HB1      TYR  23 -10.334   0.372   1.182
  147    HD1  TYR  23           HD1      TYR  23 -10.433  -1.774  -1.489
  148    HD2  TYR  23           HD2      TYR  23 -12.613   1.566   0.103
  149    HE1  TYR  23           HE1      TYR  23 -12.465  -2.525  -2.698
  150    HE2  TYR  23           HE2      TYR  23 -14.645   0.816  -1.105
  151    HH   TYR  23           HH       TYR  23 -14.613  -2.148  -3.094
  152    HA   PRO  24           HA       PRO  24  -6.269   3.642   0.849
  153   1HB   PRO  24           HB2      PRO  24  -6.579   4.476   3.447
  154   2HB   PRO  24           HB1      PRO  24  -7.087   5.433   2.045
  155   1HG   PRO  24           HG2      PRO  24  -8.762   3.911   3.983
  156   2HG   PRO  24           HG1      PRO  24  -9.192   5.309   2.984
  157   1HD   PRO  24           HD2      PRO  24  -9.868   2.602   2.456
  158   2HD   PRO  24           HD1      PRO  24 -10.043   3.969   1.334
  159    H    ASN  25           HN       ASN  25  -7.938   1.781   3.410
  160    HA   ASN  25           HA       ASN  25  -5.855   0.830   4.931
  161   1HB   ASN  25           HB2      ASN  25  -8.440   0.159   4.784
  162   2HB   ASN  25           HB1      ASN  25  -7.764  -1.248   3.962
  163   1HD2  ASN  25          HD21      ASN  25  -5.837  -2.304   5.204
  164   2HD2  ASN  25          HD22      ASN  25  -5.964  -2.366   6.895
  165    H    ALA  26           HN       ALA  26  -3.876   0.257   4.147
  166    HA   ALA  26           HA       ALA  26  -3.733  -2.078   2.341
  167   1HB   ALA  26           HB1      ALA  26  -2.558   0.636   1.689
  168   2HB   ALA  26           HB2      ALA  26  -3.673  -0.317   0.709
  169   3HB   ALA  26           HB3      ALA  26  -2.006  -0.855   0.925
  170    H    LYS  27           HN       LYS  27  -1.743  -3.208   2.566
  171    HA   LYS  27           HA       LYS  27  -0.168  -2.379   4.953
  172   1HB   LYS  27           HB2      LYS  27  -0.613  -5.002   3.539
  173   2HB   LYS  27           HB1      LYS  27   0.774  -4.789   4.607
  174   1HG   LYS  27           HG2      LYS  27  -0.521  -5.002   6.437
  175   2HG   LYS  27           HG1      LYS  27  -1.630  -3.760   5.854
  176   1HD   LYS  27           HD2      LYS  27  -2.021  -6.092   4.256
  177   2HD   LYS  27           HD1      LYS  27  -2.040  -6.590   5.948
  178   1HE   LYS  27           HE2      LYS  27  -3.518  -4.259   6.000
  179   2HE   LYS  27           HE1      LYS  27  -3.983  -4.971   4.454
  180   1HZ   LYS  27           HZ1      LYS  27  -4.821  -6.840   5.461
  181   2HZ   LYS  27           HZ2      LYS  27  -5.217  -5.653   6.610
  182   3HZ   LYS  27           HZ3      LYS  27  -3.872  -6.664   6.856
  183    H    CYS  28           HN       CYS  28   2.137  -2.267   4.834
  184    HA   CYS  28           HA       CYS  28   3.195  -2.060   2.042
  185   1HB   CYS  28           HB2      CYS  28   3.143   0.127   3.109
  186   2HB   CYS  28           HB1      CYS  28   3.964  -0.512   4.534
  187    H    MET  29           HN       MET  29   4.696  -3.582   1.581
  188    HA   MET  29           HA       MET  29   6.219  -4.789   3.858
  189   1HB   MET  29           HB2      MET  29   4.762  -5.967   1.634
  190   2HB   MET  29           HB1      MET  29   6.448  -6.486   1.634
  191   1HG   MET  29           HG2      MET  29   6.145  -7.775   3.462
  192   2HG   MET  29           HG1      MET  29   5.317  -6.475   4.322
  193   1HE   MET  29           HE1      MET  29   3.059  -6.350   4.836
  194   2HE   MET  29           HE2      MET  29   1.701  -6.924   3.872
  195   3HE   MET  29           HE3      MET  29   2.774  -5.687   3.221
  196    H    ASN  30           HN       ASN  30   8.203  -6.061   2.347
  197    HA   ASN  30           HA       ASN  30  10.128  -4.045   1.976
  198   1HB   ASN  30           HB2      ASN  30  11.214  -5.822   0.393
  199   2HB   ASN  30           HB1      ASN  30  11.006  -6.222   2.098
  200   1HD2  ASN  30          HD21      ASN  30   9.783  -6.872  -1.162
  201   2HD2  ASN  30          HD22      ASN  30   8.835  -8.212  -0.730
  202    H    ARG  31           HN       ARG  31   9.210  -2.319   0.767
  203    HA   ARG  31           HA       ARG  31   8.583  -1.155  -1.174
  204   1HB   ARG  31           HB2      ARG  31  10.219  -3.287  -2.575
  205   2HB   ARG  31           HB1      ARG  31   9.913  -1.639  -3.126
  206   1HG   ARG  31           HG2      ARG  31  11.287  -0.700  -1.441
  207   2HG   ARG  31           HG1      ARG  31  11.297  -2.193  -0.501
  208   1HD   ARG  31           HD2      ARG  31  12.290  -2.690  -3.171
  209   2HD   ARG  31           HD1      ARG  31  13.200  -1.381  -2.418
  210    HE   ARG  31           HE       ARG  31  13.434  -4.139  -1.723
  211   1HH1  ARG  31          HH21      ARG  31  14.813  -1.328  -0.938
  212   2HH1  ARG  31          HH22      ARG  31  14.911  -1.578   0.774
  213   1HH2  ARG  31          HH11      ARG  31  12.817  -4.343   0.756
  214   2HH2  ARG  31          HH12      ARG  31  13.782  -3.287   1.733
  215    H    LYS  32           HN       LYS  32   6.573  -2.831  -0.359
  216    HA   LYS  32           HA       LYS  32   5.448  -3.704  -2.966
  217   1HB   LYS  32           HB2      LYS  32   6.071  -5.445  -0.642
  218   2HB   LYS  32           HB1      LYS  32   4.488  -5.683  -1.382
  219   1HG   LYS  32           HG2      LYS  32   5.601  -5.885  -3.607
  220   2HG   LYS  32           HG1      LYS  32   7.166  -5.767  -2.802
  221   1HD   LYS  32           HD2      LYS  32   6.613  -7.774  -1.457
  222   2HD   LYS  32           HD1      LYS  32   5.072  -7.904  -2.305
  223   1HE   LYS  32           HE2      LYS  32   6.509  -9.393  -3.463
  224   2HE   LYS  32           HE1      LYS  32   6.469  -7.946  -4.470
  225   1HZ   LYS  32           HZ1      LYS  32   8.500  -7.235  -3.141
  226   2HZ   LYS  32           HZ2      LYS  32   8.715  -8.471  -4.287
  227   3HZ   LYS  32           HZ3      LYS  32   8.600  -8.851  -2.636
  228    H    CYS  33           HN       CYS  33   3.865  -2.098  -2.954
  229    HA   CYS  33           HA       CYS  33   2.253  -1.646  -0.525
  230   1HB   CYS  33           HB2      CYS  33   2.526  -0.352  -3.202
  231   2HB   CYS  33           HB1      CYS  33   0.973  -0.190  -2.382
  232    H    LYS  34           HN       LYS  34   0.426  -2.823  -0.123
  233    HA   LYS  34           HA       LYS  34  -1.006  -3.996  -2.469
  234   1HB   LYS  34           HB2      LYS  34  -1.459  -5.720  -0.275
  235   2HB   LYS  34           HB1      LYS  34  -0.535  -6.072  -1.732
  236   1HG   LYS  34           HG2      LYS  34   1.454  -4.956  -0.590
  237   2HG   LYS  34           HG1      LYS  34   0.499  -4.974   0.892
  238   1HD   LYS  34           HD2      LYS  34   1.715  -6.980   1.036
  239   2HD   LYS  34           HD1      LYS  34   0.169  -7.507   0.369
  240   1HE   LYS  34           HE2      LYS  34   1.261  -7.136  -1.946
  241   2HE   LYS  34           HE1      LYS  34   2.791  -7.109  -1.070
  242   1HZ   LYS  34           HZ1      LYS  34   1.074  -9.326  -1.685
  243   2HZ   LYS  34           HZ2      LYS  34   1.528  -9.276  -0.049
  244   3HZ   LYS  34           HZ3      LYS  34   2.717  -9.314  -1.263
  245    H    CYS  35           HN       CYS  35  -3.119  -3.436  -2.494
  246    HA   CYS  35           HA       CYS  35  -4.267  -2.150  -0.074
  247   1HB   CYS  35           HB2      CYS  35  -5.732  -2.362  -2.685
  248   2HB   CYS  35           HB1      CYS  35  -5.760  -1.064  -1.493
  249    H    PHE  36           HN       PHE  36  -6.242  -2.902   0.851
  250    HA   PHE  36           HA       PHE  36  -7.503  -5.315  -0.252
  251   1HB   PHE  36           HB2      PHE  36  -5.674  -5.377   2.091
  252   2HB   PHE  36           HB1      PHE  36  -7.177  -6.289   2.238
  253    HD1  PHE  36           HD1      PHE  36  -3.871  -6.649   1.352
  254    HD2  PHE  36           HD2      PHE  36  -7.793  -7.490  -0.185
  255    HE1  PHE  36           HE1      PHE  36  -2.927  -8.442  -0.079
  256    HE2  PHE  36           HE2      PHE  36  -6.850  -9.282  -1.615
  257    HZ   PHE  36           HZ       PHE  36  -4.417  -9.758  -1.563
  258    H    GLY  37           HN       GLY  37  -8.603  -2.795   0.095
  259   1HA   GLY  37           HA2      GLY  37  -9.922  -2.433   2.619
  260   2HA   GLY  37           HA1      GLY  37 -10.431  -1.707   1.093
  261    H    ARG  38           HN       ARG  38 -10.719  -4.255  -0.296
  262    HA   ARG  38           HA       ARG  38 -12.431  -6.074   1.050
  263   1HB   ARG  38           HB2      ARG  38 -13.704  -3.646   0.773
  264   2HB   ARG  38           HB1      ARG  38 -14.246  -4.515  -0.663
  265   1HG   ARG  38           HG2      ARG  38 -15.002  -6.387   0.704
  266   2HG   ARG  38           HG1      ARG  38 -14.367  -5.618   2.159
  267   1HD   ARG  38           HD2      ARG  38 -16.526  -4.443   0.385
  268   2HD   ARG  38           HD1      ARG  38 -16.820  -5.277   1.911
  269    HE   ARG  38           HE       ARG  38 -15.926  -3.388   3.077
  270   1HH1  ARG  38          HH11      ARG  38 -17.225  -2.297   0.363
  271   2HH1  ARG  38          HH12      ARG  38 -16.115  -1.004   0.053
  272   1HH2  ARG  38          HH21      ARG  38 -13.782  -2.098   2.373
  273   2HH2  ARG  38          HH22      ARG  38 -14.164  -0.893   1.189
  Start of MODEL    3
    1   1H    THR   4           HT1      THR   4   8.139  -3.784  -7.587
    2   2H    THR   4           HT2      THR   4   7.032  -5.010  -7.985
    3   3H    THR   4           HT3      THR   4   7.265  -4.565  -6.362
    4    HA   THR   4           HA       THR   4   5.905  -3.056  -8.508
    5    HB   THR   4           HB       THR   4   4.977  -3.432  -5.675
    6    HG1  THR   4           HG1      THR   4   3.862  -5.327  -6.881
    7   1HG2  THR   4          HG21      THR   4   3.325  -3.586  -8.174
    8   2HG2  THR   4          HG22      THR   4   3.894  -2.016  -7.607
    9   3HG2  THR   4          HG23      THR   4   2.871  -3.011  -6.571
   10    H    ILE   5           HN       ILE   5   4.845  -1.474  -6.071
   11    HA   ILE   5           HA       ILE   5   6.637   0.746  -6.348
   12    HB   ILE   5           HB       ILE   5   4.828   0.547  -3.999
   13   1HG1  ILE   5          HG12      ILE   5   3.125   1.425  -5.950
   14   2HG1  ILE   5          HG11      ILE   5   4.028   0.183  -6.820
   15   1HG2  ILE   5          HG21      ILE   5   5.534   2.703  -4.070
   16   2HG2  ILE   5          HG22      ILE   5   4.321   2.876  -5.338
   17   3HG2  ILE   5          HG23      ILE   5   6.007   2.584  -5.765
   18   1HD1  ILE   5          HD11      ILE   5   2.019  -0.123  -4.728
   19   2HD1  ILE   5          HD12      ILE   5   3.510  -0.980  -4.342
   20   3HD1  ILE   5          HD13      ILE   5   2.660  -1.323  -5.847
   21    H    SER   6           HN       SER   6   7.470   1.811  -4.170
   22    HA   SER   6           HA       SER   6   8.724  -0.317  -2.491
   23   1HB   SER   6           HB2      SER   6  10.248   2.151  -3.293
   24   2HB   SER   6           HB1      SER   6  10.871   0.614  -2.703
   25    HG   SER   6           HG       SER   6  10.122  -0.315  -4.678
   26    H    CYS   7           HN       CYS   7   7.657   0.079  -0.582
   27    HA   CYS   7           HA       CYS   7   7.850   2.859   0.498
   28   1HB   CYS   7           HB2      CYS   7   5.654   2.593   1.524
   29   2HB   CYS   7           HB1      CYS   7   5.517   2.305  -0.210
   30    H    THR   8           HN       THR   8   7.868   2.934   2.871
   31    HA   THR   8           HA       THR   8   8.767   0.373   4.125
   32    HB   THR   8           HB       THR   8  10.742   1.763   3.830
   33    HG1  THR   8           HG1      THR   8  10.041   2.302   6.482
   34   1HG2  THR   8          HG21      THR   8   9.231   3.892   3.692
   35   2HG2  THR   8          HG22      THR   8  10.857   4.041   4.359
   36   3HG2  THR   8          HG23      THR   8   9.465   3.960   5.438
   37    H    ASN   9           HN       ASN   9   6.256   2.244   3.980
   38    HA   ASN   9           HA       ASN   9   5.523   1.858   6.802
   39   1HB   ASN   9           HB2      ASN   9   6.605   4.239   6.341
   40   2HB   ASN   9           HB1      ASN   9   5.012   4.590   5.669
   41   1HD2  ASN   9          HD21      ASN   9   6.434   5.411   8.318
   42   2HD2  ASN   9          HD22      ASN   9   5.272   5.069   9.508
   43    H    GLU  10           HN       GLU  10   3.340   1.373   6.926
   44    HA   GLU  10           HA       GLU  10   1.876   0.809   4.550
   45   1HB   GLU  10           HB2      GLU  10  -0.113   0.698   6.149
   46   2HB   GLU  10           HB1      GLU  10   1.253  -0.344   6.548
   47   1HG   GLU  10           HG2      GLU  10   1.988   1.086   8.283
   48   2HG   GLU  10           HG1      GLU  10   1.018   2.437   7.695
   49    H    LYS  11           HN       LYS  11   2.341   3.767   6.252
   50    HA   LYS  11           HA       LYS  11  -0.098   5.087   5.459
   51   1HB   LYS  11           HB2      LYS  11   1.354   5.876   7.315
   52   2HB   LYS  11           HB1      LYS  11   2.593   6.305   6.133
   53   1HG   LYS  11           HG2      LYS  11   0.617   7.639   5.000
   54   2HG   LYS  11           HG1      LYS  11  -0.079   7.577   6.620
   55   1HD   LYS  11           HD2      LYS  11   1.160   9.526   6.791
   56   2HD   LYS  11           HD1      LYS  11   2.364   8.351   7.326
   57   1HE   LYS  11           HE2      LYS  11   3.576   8.490   5.365
   58   2HE   LYS  11           HE1      LYS  11   2.159   8.897   4.396
   59   1HZ   LYS  11           HZ1      LYS  11   3.898  10.632   5.968
   60   2HZ   LYS  11           HZ2      LYS  11   2.245  11.020   5.945
   61   3HZ   LYS  11           HZ3      LYS  11   3.120  10.929   4.492
   62    H    GLN  12           HN       GLN  12   2.979   4.537   3.868
   63    HA   GLN  12           HA       GLN  12   2.670   6.593   1.871
   64   1HB   GLN  12           HB2      GLN  12   4.420   4.202   2.236
   65   2HB   GLN  12           HB1      GLN  12   4.301   4.899   0.621
   66   1HG   GLN  12           HG2      GLN  12   5.309   6.876   1.246
   67   2HG   GLN  12           HG1      GLN  12   4.710   6.779   2.901
   68   1HE2  GLN  12          HE21      GLN  12   6.427   6.489   4.322
   69   2HE2  GLN  12          HE22      GLN  12   7.789   5.520   4.024
   70    H    CYS  13           HN       CYS  13   1.267   3.424   2.225
   71    HA   CYS  13           HA       CYS  13   0.516   3.403  -0.654
   72   1HB   CYS  13           HB2      CYS  13  -0.303   1.267   1.288
   73   2HB   CYS  13           HB1      CYS  13   0.035   1.134  -0.437
   74    H    TYR  14           HN       TYR  14  -0.687   4.727   2.127
   75    HA   TYR  14           HA       TYR  14  -3.426   3.981   2.131
   76   1HB   TYR  14           HB2      TYR  14  -1.836   6.233   3.164
   77   2HB   TYR  14           HB1      TYR  14  -3.513   6.645   2.804
   78    HD1  TYR  14           HD1      TYR  14  -5.240   6.010   4.275
   79    HD2  TYR  14           HD2      TYR  14  -1.402   4.113   4.563
   80    HE1  TYR  14           HE1      TYR  14  -5.969   4.850   6.342
   81    HE2  TYR  14           HE2      TYR  14  -2.126   2.954   6.632
   82    HH   TYR  14           HH       TYR  14  -5.390   2.851   7.629
   83    HA   PRO  15           HA       PRO  15  -4.178   7.453  -1.055
   84   1HB   PRO  15           HB2      PRO  15  -1.972   8.675  -2.147
   85   2HB   PRO  15           HB1      PRO  15  -2.783   9.253  -0.683
   86   1HG   PRO  15           HG2      PRO  15  -0.186   7.813  -0.943
   87   2HG   PRO  15           HG1      PRO  15  -0.732   8.924   0.325
   88   1HD   PRO  15           HD2      PRO  15  -0.658   6.100   0.506
   89   2HD   PRO  15           HD1      PRO  15  -1.489   7.199   1.628
   90    H    HIS  16           HN       HIS  16  -1.793   5.027  -1.352
   91    HA   HIS  16           HA       HIS  16  -1.647   4.993  -4.262
   92   1HB   HIS  16           HB2      HIS  16   0.086   4.047  -2.607
   93   2HB   HIS  16           HB1      HIS  16  -1.007   2.673  -2.434
   94    HD1  HIS  16           HD1      HIS  16  -0.065   0.836  -3.849
   95    HD2  HIS  16           HD2      HIS  16   0.116   4.521  -5.779
   96    HE1  HIS  16           HE1      HIS  16   0.803   0.378  -6.185
   97    H    CYS  17           HN       CYS  17  -3.080   2.715  -1.890
   98    HA   CYS  17           HA       CYS  17  -4.618   1.343  -3.909
   99   1HB   CYS  17           HB2      CYS  17  -4.939   1.429  -0.895
  100   2HB   CYS  17           HB1      CYS  17  -5.783   0.310  -1.965
  101    H    LYS  18           HN       LYS  18  -5.279   4.037  -1.713
  102    HA   LYS  18           HA       LYS  18  -8.104   4.151  -2.111
  103   1HB   LYS  18           HB2      LYS  18  -6.607   5.474  -0.442
  104   2HB   LYS  18           HB1      LYS  18  -6.400   6.615  -1.771
  105   1HG   LYS  18           HG2      LYS  18  -8.519   7.405  -1.579
  106   2HG   LYS  18           HG1      LYS  18  -9.192   5.793  -1.338
  107   1HD   LYS  18           HD2      LYS  18  -8.500   5.804   0.999
  108   2HD   LYS  18           HD1      LYS  18  -7.693   7.359   0.782
  109   1HE   LYS  18           HE2      LYS  18  -9.636   8.348   1.352
  110   2HE   LYS  18           HE1      LYS  18 -10.300   7.762  -0.173
  111   1HZ   LYS  18           HZ1      LYS  18 -10.434   6.485   2.491
  112   2HZ   LYS  18           HZ2      LYS  18 -10.738   5.618   1.061
  113   3HZ   LYS  18           HZ3      LYS  18 -11.716   6.942   1.480
  114    H    LYS  19           HN       LYS  19  -5.408   5.654  -3.889
  115    HA   LYS  19           HA       LYS  19  -7.213   6.906  -5.821
  116   1HB   LYS  19           HB2      LYS  19  -4.243   6.701  -5.466
  117   2HB   LYS  19           HB1      LYS  19  -4.879   7.155  -7.048
  118   1HG   LYS  19           HG2      LYS  19  -6.045   8.543  -4.686
  119   2HG   LYS  19           HG1      LYS  19  -4.392   8.972  -5.127
  120   1HD   LYS  19           HD2      LYS  19  -6.071   8.789  -7.487
  121   2HD   LYS  19           HD1      LYS  19  -6.747   9.930  -6.323
  122   1HE   LYS  19           HE2      LYS  19  -5.020  11.399  -6.563
  123   2HE   LYS  19           HE1      LYS  19  -3.819  10.114  -6.698
  124   1HZ   LYS  19           HZ1      LYS  19  -3.984  11.225  -8.787
  125   2HZ   LYS  19           HZ2      LYS  19  -5.674  11.055  -8.816
  126   3HZ   LYS  19           HZ3      LYS  19  -4.677   9.687  -8.965
  127    H    GLU  20           HN       GLU  20  -5.883   3.801  -5.390
  128    HA   GLU  20           HA       GLU  20  -5.736   3.098  -8.223
  129   1HB   GLU  20           HB2      GLU  20  -5.340   1.711  -5.619
  130   2HB   GLU  20           HB1      GLU  20  -5.805   0.702  -6.989
  131   1HG   GLU  20           HG2      GLU  20  -3.624   2.729  -7.350
  132   2HG   GLU  20           HG1      GLU  20  -3.255   1.209  -6.535
  133    H    THR  21           HN       THR  21  -7.784   1.776  -5.596
  134    HA   THR  21           HA       THR  21 -10.008   1.627  -7.594
  135    HB   THR  21           HB       THR  21  -9.485  -0.629  -7.268
  136    HG1  THR  21           HG1      THR  21 -11.154  -1.399  -6.071
  137   1HG2  THR  21          HG21      THR  21  -8.926   0.075  -4.375
  138   2HG2  THR  21          HG22      THR  21  -7.725  -0.299  -5.611
  139   3HG2  THR  21          HG23      THR  21  -8.832  -1.551  -5.048
  140    H    GLY  22           HN       GLY  22  -8.945   2.901  -4.655
  141   1HA   GLY  22           HA2      GLY  22 -10.318   4.567  -3.510
  142   2HA   GLY  22           HA1      GLY  22 -11.748   3.636  -3.958
  143    H    TYR  23           HN       TYR  23  -8.725   2.406  -2.549
  144    HA   TYR  23           HA       TYR  23 -10.235   1.772  -0.059
  145   1HB   TYR  23           HB2      TYR  23  -8.902  -0.112  -1.944
  146   2HB   TYR  23           HB1      TYR  23  -8.696  -0.424  -0.220
  147    HD1  TYR  23           HD1      TYR  23 -10.837  -0.878  -3.017
  148    HD2  TYR  23           HD2      TYR  23 -10.878  -0.283   1.237
  149    HE1  TYR  23           HE1      TYR  23 -13.126  -1.824  -2.907
  150    HE2  TYR  23           HE2      TYR  23 -13.167  -1.230   1.347
  151    HH   TYR  23           HH       TYR  23 -14.696  -2.672  -1.484
  152    HA   PRO  24           HA       PRO  24  -6.383   3.623   1.337
  153   1HB   PRO  24           HB2      PRO  24  -7.278   4.066   3.898
  154   2HB   PRO  24           HB1      PRO  24  -7.636   5.142   2.536
  155   1HG   PRO  24           HG2      PRO  24  -9.424   3.174   3.894
  156   2HG   PRO  24           HG1      PRO  24  -9.843   4.671   3.044
  157   1HD   PRO  24           HD2      PRO  24 -10.107   2.066   1.997
  158   2HD   PRO  24           HD1      PRO  24 -10.146   3.572   1.054
  159    H    ASN  25           HN       ASN  25  -8.227   1.069   2.966
  160    HA   ASN  25           HA       ASN  25  -6.303   0.188   4.832
  161   1HB   ASN  25           HB2      ASN  25  -8.768  -0.732   3.909
  162   2HB   ASN  25           HB1      ASN  25  -7.650  -2.028   3.487
  163   1HD2  ASN  25          HD21      ASN  25  -9.751  -1.763   5.738
  164   2HD2  ASN  25          HD22      ASN  25  -8.888  -2.160   7.145
  165    H    ALA  26           HN       ALA  26  -4.170   0.037   4.173
  166    HA   ALA  26           HA       ALA  26  -3.603  -1.960   2.037
  167   1HB   ALA  26           HB1      ALA  26  -1.681   0.227   2.014
  168   2HB   ALA  26           HB2      ALA  26  -3.312   0.798   1.663
  169   3HB   ALA  26           HB3      ALA  26  -2.591  -0.472   0.675
  170    H    LYS  27           HN       LYS  27  -1.230  -2.620   2.121
  171    HA   LYS  27           HA       LYS  27  -0.143  -2.362   4.893
  172   1HB   LYS  27           HB2      LYS  27   0.074  -4.932   3.334
  173   2HB   LYS  27           HB1      LYS  27   0.232  -4.677   5.073
  174   1HG   LYS  27           HG2      LYS  27  -2.321  -4.460   3.452
  175   2HG   LYS  27           HG1      LYS  27  -1.919  -5.732   4.607
  176   1HD   LYS  27           HD2      LYS  27  -1.596  -3.144   5.846
  177   2HD   LYS  27           HD1      LYS  27  -3.213  -3.282   5.154
  178   1HE   LYS  27           HE2      LYS  27  -3.850  -4.842   6.671
  179   2HE   LYS  27           HE1      LYS  27  -2.323  -5.715   6.542
  180   1HZ   LYS  27           HZ1      LYS  27  -2.146  -4.901   8.643
  181   2HZ   LYS  27           HZ2      LYS  27  -3.065  -3.508   8.318
  182   3HZ   LYS  27           HZ3      LYS  27  -1.449  -3.605   7.799
  183    H    CYS  28           HN       CYS  28   1.962  -1.729   4.878
  184    HA   CYS  28           HA       CYS  28   3.431  -1.868   2.288
  185   1HB   CYS  28           HB2      CYS  28   3.221   0.375   3.266
  186   2HB   CYS  28           HB1      CYS  28   3.943  -0.198   4.769
  187    H    MET  29           HN       MET  29   4.678  -3.681   2.182
  188    HA   MET  29           HA       MET  29   6.486  -4.256   4.467
  189   1HB   MET  29           HB2      MET  29   5.911  -6.788   3.840
  190   2HB   MET  29           HB1      MET  29   4.964  -5.902   5.034
  191   1HG   MET  29           HG2      MET  29   3.144  -5.711   3.651
  192   2HG   MET  29           HG1      MET  29   4.132  -5.602   2.195
  193   1HE   MET  29           HE1      MET  29   3.564  -8.158   0.437
  194   2HE   MET  29           HE2      MET  29   2.823  -6.648   0.963
  195   3HE   MET  29           HE3      MET  29   1.969  -8.171   1.203
  196    H    ASN  30           HN       ASN  30   8.469  -5.145   3.805
  197    HA   ASN  30           HA       ASN  30  10.238  -5.337   2.253
  198   1HB   ASN  30           HB2      ASN  30   8.629  -7.499   2.113
  199   2HB   ASN  30           HB1      ASN  30   8.477  -6.921   0.452
  200   1HD2  ASN  30          HD21      ASN  30   9.770  -9.323   0.691
  201   2HD2  ASN  30          HD22      ASN  30  11.446  -9.141   0.488
  202    H    ARG  31           HN       ARG  31   9.104  -2.916   1.829
  203    HA   ARG  31           HA       ARG  31   8.651  -1.277   0.203
  204   1HB   ARG  31           HB2      ARG  31  10.321  -3.155  -1.498
  205   2HB   ARG  31           HB1      ARG  31  10.046  -1.440  -1.802
  206   1HG   ARG  31           HG2      ARG  31  12.093  -1.344  -0.713
  207   2HG   ARG  31           HG1      ARG  31  10.995  -1.185   0.659
  208   1HD   ARG  31           HD2      ARG  31  12.869  -2.907   0.920
  209   2HD   ARG  31           HD1      ARG  31  11.235  -3.486   1.245
  210    HE   ARG  31           HE       ARG  31  11.535  -4.979  -0.542
  211   1HH1  ARG  31          HH21      ARG  31  14.480  -3.687  -0.369
  212   2HH1  ARG  31          HH22      ARG  31  14.795  -3.572  -2.069
  213   1HH2  ARG  31          HH11      ARG  31  11.509  -4.183  -2.990
  214   2HH2  ARG  31          HH12      ARG  31  13.114  -3.852  -3.552
  215    H    LYS  32           HN       LYS  32   6.490  -2.937   0.460
  216    HA   LYS  32           HA       LYS  32   5.556  -3.136  -2.360
  217   1HB   LYS  32           HB2      LYS  32   6.204  -5.378  -0.835
  218   2HB   LYS  32           HB1      LYS  32   4.451  -5.252  -0.680
  219   1HG   LYS  32           HG2      LYS  32   4.279  -5.065  -3.161
  220   2HG   LYS  32           HG1      LYS  32   6.022  -5.312  -3.271
  221   1HD   LYS  32           HD2      LYS  32   4.957  -7.363  -1.595
  222   2HD   LYS  32           HD1      LYS  32   3.973  -7.295  -3.057
  223   1HE   LYS  32           HE2      LYS  32   5.622  -8.202  -4.294
  224   2HE   LYS  32           HE1      LYS  32   6.789  -7.022  -3.699
  225   1HZ   LYS  32           HZ1      LYS  32   7.289  -8.341  -1.856
  226   2HZ   LYS  32           HZ2      LYS  32   7.218  -9.440  -3.149
  227   3HZ   LYS  32           HZ3      LYS  32   5.921  -9.324  -2.059
  228    H    CYS  33           HN       CYS  33   3.586  -2.201  -2.601
  229    HA   CYS  33           HA       CYS  33   2.060  -1.519  -0.128
  230   1HB   CYS  33           HB2      CYS  33   2.228  -0.279  -2.875
  231   2HB   CYS  33           HB1      CYS  33   0.875   0.074  -1.804
  232    H    LYS  34           HN       LYS  34   0.665  -3.245   0.194
  233    HA   LYS  34           HA       LYS  34  -0.730  -4.412  -2.149
  234   1HB   LYS  34           HB2      LYS  34   0.327  -5.652  -0.025
  235   2HB   LYS  34           HB1      LYS  34  -1.279  -5.342   0.634
  236   1HG   LYS  34           HG2      LYS  34  -2.312  -6.760  -0.845
  237   2HG   LYS  34           HG1      LYS  34  -1.162  -6.419  -2.139
  238   1HD   LYS  34           HD2      LYS  34   0.553  -7.669  -0.626
  239   2HD   LYS  34           HD1      LYS  34  -0.874  -8.313   0.186
  240   1HE   LYS  34           HE2      LYS  34  -1.224  -8.482  -2.673
  241   2HE   LYS  34           HE1      LYS  34   0.298  -9.245  -2.214
  242   1HZ   LYS  34           HZ1      LYS  34  -0.758 -10.760  -0.873
  243   2HZ   LYS  34           HZ2      LYS  34  -1.891 -10.595  -2.129
  244   3HZ   LYS  34           HZ3      LYS  34  -2.132  -9.791  -0.652
  245    H    CYS  35           HN       CYS  35  -3.067  -4.560  -2.193
  246    HA   CYS  35           HA       CYS  35  -4.394  -2.416  -0.581
  247   1HB   CYS  35           HB2      CYS  35  -5.185  -3.471  -3.314
  248   2HB   CYS  35           HB1      CYS  35  -5.950  -2.139  -2.446
  249    H    PHE  36           HN       PHE  36  -5.892  -3.153   0.838
  250    HA   PHE  36           HA       PHE  36  -6.782  -5.964   0.658
  251   1HB   PHE  36           HB2      PHE  36  -6.641  -3.889   2.762
  252   2HB   PHE  36           HB1      PHE  36  -8.042  -4.955   2.857
  253    HD1  PHE  36           HD1      PHE  36  -4.319  -5.001   2.470
  254    HD2  PHE  36           HD2      PHE  36  -7.829  -7.122   3.748
  255    HE1  PHE  36           HE1      PHE  36  -2.892  -6.797   3.411
  256    HE2  PHE  36           HE2      PHE  36  -6.401  -8.918   4.690
  257    HZ   PHE  36           HZ       PHE  36  -3.933  -8.756   4.521
  258    H    GLY  37           HN       GLY  37  -7.759  -3.680  -1.151
  259   1HA   GLY  37           HA2      GLY  37 -10.333  -2.811  -0.661
  260   2HA   GLY  37           HA1      GLY  37  -9.821  -3.345  -2.261
  261    H    ARG  38           HN       ARG  38  -9.315  -6.103  -1.349
  262    HA   ARG  38           HA       ARG  38 -11.895  -7.099  -0.371
  263   1HB   ARG  38           HB2      ARG  38 -11.543  -6.745  -3.153
  264   2HB   ARG  38           HB1      ARG  38 -11.369  -8.475  -2.858
  265   1HG   ARG  38           HG2      ARG  38 -13.562  -8.718  -2.352
  266   2HG   ARG  38           HG1      ARG  38 -13.572  -7.273  -1.341
  267   1HD   ARG  38           HD2      ARG  38 -14.450  -6.018  -2.999
  268   2HD   ARG  38           HD1      ARG  38 -13.262  -6.610  -4.162
  269    HE   ARG  38           HE       ARG  38 -14.809  -8.686  -4.292
  270   1HH1  ARG  38          HH11      ARG  38 -16.734  -7.308  -2.310
  271   2HH1  ARG  38          HH12      ARG  38 -17.952  -6.740  -3.402
  272   1HH2  ARG  38          HH21      ARG  38 -15.996  -7.172  -6.231
  273   2HH2  ARG  38          HH22      ARG  38 -17.534  -6.660  -5.621
  Start of MODEL    4
    1   1H    THR   4           HT1      THR   4   7.516  -3.262  -6.960
    2   2H    THR   4           HT2      THR   4   6.005  -4.034  -7.046
    3   3H    THR   4           HT3      THR   4   6.352  -2.978  -5.761
    4    HA   THR   4           HA       THR   4   6.370  -2.045  -8.556
    5    HB   THR   4           HB       THR   4   4.028  -2.234  -6.653
    6    HG1  THR   4           HG1      THR   4   4.505  -3.171  -9.286
    7   1HG2  THR   4          HG21      THR   4   2.789  -0.875  -8.222
    8   2HG2  THR   4          HG22      THR   4   4.161  -0.824  -9.330
    9   3HG2  THR   4          HG23      THR   4   4.251   0.007  -7.777
   10    H    ILE   5           HN       ILE   5   4.749  -0.764  -5.756
   11    HA   ILE   5           HA       ILE   5   6.273   1.725  -5.993
   12    HB   ILE   5           HB       ILE   5   4.785   1.810  -3.597
   13   1HG1  ILE   5          HG12      ILE   5   3.202   0.551  -5.858
   14   2HG1  ILE   5          HG11      ILE   5   3.576  -0.215  -4.313
   15   1HG2  ILE   5          HG21      ILE   5   3.757   2.815  -6.235
   16   2HG2  ILE   5          HG22      ILE   5   5.228   3.492  -5.538
   17   3HG2  ILE   5          HG23      ILE   5   3.706   3.596  -4.654
   18   1HD1  ILE   5          HD11      ILE   5   2.451   1.877  -3.258
   19   2HD1  ILE   5          HD12      ILE   5   1.411   0.643  -3.970
   20   3HD1  ILE   5          HD13      ILE   5   1.761   2.125  -4.860
   21    H    SER   6           HN       SER   6   7.797   2.499  -4.507
   22    HA   SER   6           HA       SER   6   8.910   0.431  -2.680
   23   1HB   SER   6           HB2      SER   6  10.771   2.288  -2.523
   24   2HB   SER   6           HB1      SER   6  10.676   1.269  -3.957
   25    HG   SER   6           HG       SER   6   9.636   2.904  -5.029
   26    H    CYS   7           HN       CYS   7   7.444   0.641  -0.921
   27    HA   CYS   7           HA       CYS   7   7.661   3.246   0.534
   28   1HB   CYS   7           HB2      CYS   7   5.351   2.937   1.313
   29   2HB   CYS   7           HB1      CYS   7   5.402   2.966  -0.449
   30    H    THR   8           HN       THR   8   7.361   3.005   2.903
   31    HA   THR   8           HA       THR   8   8.027   0.262   3.882
   32    HB   THR   8           HB       THR   8   9.539   1.362   5.562
   33    HG1  THR   8           HG1      THR   8   8.834   3.584   3.978
   34   1HG2  THR   8          HG21      THR   8  10.436   2.105   2.787
   35   2HG2  THR   8          HG22      THR   8  10.225   0.414   3.241
   36   3HG2  THR   8          HG23      THR   8  11.383   1.423   4.109
   37    H    ASN   9           HN       ASN   9   6.699   3.469   4.590
   38    HA   ASN   9           HA       ASN   9   5.561   2.579   7.145
   39   1HB   ASN   9           HB2      ASN   9   5.987   5.094   5.784
   40   2HB   ASN   9           HB1      ASN   9   4.307   4.972   6.310
   41   1HD2  ASN   9          HD21      ASN   9   7.679   4.829   7.495
   42   2HD2  ASN   9          HD22      ASN   9   7.293   5.152   9.115
   43    H    GLU  10           HN       GLU  10   3.262   2.379   7.517
   44    HA   GLU  10           HA       GLU  10   1.854   1.045   5.393
   45   1HB   GLU  10           HB2      GLU  10   1.384   1.710   8.208
   46   2HB   GLU  10           HB1      GLU  10  -0.086   1.761   7.236
   47   1HG   GLU  10           HG2      GLU  10   0.407  -0.501   6.371
   48   2HG   GLU  10           HG1      GLU  10   1.869  -0.555   7.358
   49    H    LYS  11           HN       LYS  11   1.566   4.308   6.802
   50    HA   LYS  11           HA       LYS  11  -0.685   5.095   5.198
   51   1HB   LYS  11           HB2      LYS  11   0.279   6.233   7.311
   52   2HB   LYS  11           HB1      LYS  11   1.421   7.004   6.209
   53   1HG   LYS  11           HG2      LYS  11  -0.148   8.538   5.717
   54   2HG   LYS  11           HG1      LYS  11  -1.134   7.256   5.015
   55   1HD   LYS  11           HD2      LYS  11  -1.582   6.864   7.685
   56   2HD   LYS  11           HD1      LYS  11  -1.398   8.617   7.622
   57   1HE   LYS  11           HE2      LYS  11  -3.010   8.474   5.575
   58   2HE   LYS  11           HE1      LYS  11  -3.422   6.884   6.219
   59   1HZ   LYS  11           HZ1      LYS  11  -3.413   9.246   7.980
   60   2HZ   LYS  11           HZ2      LYS  11  -4.266   7.787   8.151
   61   3HZ   LYS  11           HZ3      LYS  11  -4.754   8.928   6.991
   62    H    GLN  12           HN       GLN  12   2.555   4.508   4.342
   63    HA   GLN  12           HA       GLN  12   2.844   6.520   2.285
   64   1HB   GLN  12           HB2      GLN  12   4.281   4.031   3.074
   65   2HB   GLN  12           HB1      GLN  12   4.516   4.608   1.424
   66   1HG   GLN  12           HG2      GLN  12   4.701   6.927   2.936
   67   2HG   GLN  12           HG1      GLN  12   5.512   5.724   3.940
   68   1HE2  GLN  12          HE21      GLN  12   5.357   6.143   0.354
   69   2HE2  GLN  12          HE22      GLN  12   7.041   6.159   0.140
   70    H    CYS  13           HN       CYS  13   0.767   3.911   2.503
   71    HA   CYS  13           HA       CYS  13   0.471   3.867  -0.470
   72   1HB   CYS  13           HB2      CYS  13   1.424   1.724   0.933
   73   2HB   CYS  13           HB1      CYS  13  -0.309   1.400   0.959
   74    H    TYR  14           HN       TYR  14  -0.896   4.938   2.210
   75    HA   TYR  14           HA       TYR  14  -3.553   3.834   2.140
   76   1HB   TYR  14           HB2      TYR  14  -2.217   6.159   3.432
   77   2HB   TYR  14           HB1      TYR  14  -3.974   6.220   3.283
   78    HD1  TYR  14           HD1      TYR  14  -4.936   5.639   5.330
   79    HD2  TYR  14           HD2      TYR  14  -1.589   3.386   3.860
   80    HE1  TYR  14           HE1      TYR  14  -5.161   4.064   7.233
   81    HE2  TYR  14           HE2      TYR  14  -1.811   1.811   5.763
   82    HH   TYR  14           HH       TYR  14  -4.515   1.600   7.662
   83    HA   PRO  15           HA       PRO  15  -4.602   7.719  -0.460
   84   1HB   PRO  15           HB2      PRO  15  -2.502   9.085  -1.581
   85   2HB   PRO  15           HB1      PRO  15  -3.184   9.472   0.008
   86   1HG   PRO  15           HG2      PRO  15  -0.630   8.077  -0.652
   87   2HG   PRO  15           HG1      PRO  15  -1.041   9.050   0.769
   88   1HD   PRO  15           HD2      PRO  15  -0.965   6.239   0.664
   89   2HD   PRO  15           HD1      PRO  15  -1.723   7.204   1.950
   90    H    HIS  16           HN       HIS  16  -1.478   6.564  -1.796
   91    HA   HIS  16           HA       HIS  16  -2.236   6.470  -4.495
   92   1HB   HIS  16           HB2      HIS  16   0.017   6.047  -4.279
   93   2HB   HIS  16           HB1      HIS  16  -0.195   5.104  -2.809
   94    HD1  HIS  16           HD1      HIS  16   0.475   4.732  -6.356
   95    HD2  HIS  16           HD2      HIS  16  -1.348   2.414  -3.415
   96    HE1  HIS  16           HE1      HIS  16   0.411   2.365  -7.255
   97    H    CYS  17           HN       CYS  17  -2.687   3.997  -1.966
   98    HA   CYS  17           HA       CYS  17  -3.876   2.042  -3.717
   99   1HB   CYS  17           HB2      CYS  17  -3.967   2.485  -0.733
  100   2HB   CYS  17           HB1      CYS  17  -4.893   1.197  -1.498
  101    H    LYS  18           HN       LYS  18  -5.239   4.623  -1.687
  102    HA   LYS  18           HA       LYS  18  -7.980   4.024  -2.026
  103   1HB   LYS  18           HB2      LYS  18  -7.170   5.752  -0.472
  104   2HB   LYS  18           HB1      LYS  18  -6.658   6.748  -1.835
  105   1HG   LYS  18           HG2      LYS  18  -8.724   7.674  -1.699
  106   2HG   LYS  18           HG1      LYS  18  -9.281   6.190  -2.472
  107   1HD   LYS  18           HD2      LYS  18  -9.797   5.183  -0.349
  108   2HD   LYS  18           HD1      LYS  18  -9.006   6.494   0.528
  109   1HE   LYS  18           HE2      LYS  18 -10.768   7.930   0.246
  110   2HE   LYS  18           HE1      LYS  18 -11.169   7.289  -1.348
  111   1HZ   LYS  18           HZ1      LYS  18 -12.695   6.808   0.686
  112   2HZ   LYS  18           HZ2      LYS  18 -11.558   5.589   1.013
  113   3HZ   LYS  18           HZ3      LYS  18 -12.400   5.597  -0.463
  114    H    LYS  19           HN       LYS  19  -5.788   5.884  -4.125
  115    HA   LYS  19           HA       LYS  19  -7.923   6.487  -6.029
  116   1HB   LYS  19           HB2      LYS  19  -4.925   6.711  -6.424
  117   2HB   LYS  19           HB1      LYS  19  -6.182   7.529  -7.352
  118   1HG   LYS  19           HG2      LYS  19  -6.754   8.950  -5.564
  119   2HG   LYS  19           HG1      LYS  19  -5.990   7.901  -4.369
  120   1HD   LYS  19           HD2      LYS  19  -4.659   9.970  -4.865
  121   2HD   LYS  19           HD1      LYS  19  -3.779   8.477  -5.192
  122   1HE   LYS  19           HE2      LYS  19  -3.973   8.713  -7.511
  123   2HE   LYS  19           HE1      LYS  19  -5.370   9.782  -7.385
  124   1HZ   LYS  19           HZ1      LYS  19  -2.576  10.452  -6.629
  125   2HZ   LYS  19           HZ2      LYS  19  -3.915  11.478  -6.427
  126   3HZ   LYS  19           HZ3      LYS  19  -3.412  11.030  -7.987
  127    H    GLU  20           HN       GLU  20  -5.813   3.839  -5.446
  128    HA   GLU  20           HA       GLU  20  -5.781   2.885  -8.210
  129   1HB   GLU  20           HB2      GLU  20  -4.481   2.203  -5.738
  130   2HB   GLU  20           HB1      GLU  20  -5.219   0.753  -6.422
  131   1HG   GLU  20           HG2      GLU  20  -4.161   1.779  -8.671
  132   2HG   GLU  20           HG1      GLU  20  -3.025   2.454  -7.502
  133    H    THR  21           HN       THR  21  -7.122   1.364  -5.244
  134    HA   THR  21           HA       THR  21  -9.222   0.152  -6.981
  135    HB   THR  21           HB       THR  21  -7.860  -1.409  -5.623
  136    HG1  THR  21           HG1      THR  21  -9.825  -2.220  -5.897
  137   1HG2  THR  21          HG21      THR  21  -8.375  -1.325  -3.094
  138   2HG2  THR  21          HG22      THR  21  -8.891   0.336  -3.390
  139   3HG2  THR  21          HG23      THR  21  -7.228  -0.144  -3.728
  140    H    GLY  22           HN       GLY  22  -8.745   2.270  -4.218
  141   1HA   GLY  22           HA2      GLY  22 -10.536   3.995  -3.908
  142   2HA   GLY  22           HA1      GLY  22 -11.706   2.702  -4.172
  143    H    TYR  23           HN       TYR  23  -8.820   2.117  -2.295
  144    HA   TYR  23           HA       TYR  23 -10.330   2.430   0.237
  145   1HB   TYR  23           HB2      TYR  23  -8.954  -0.150  -0.564
  146   2HB   TYR  23           HB1      TYR  23  -9.778   0.160   0.965
  147    HD1  TYR  23           HD1      TYR  23 -10.156  -0.932  -2.434
  148    HD2  TYR  23           HD2      TYR  23 -12.269   0.806   0.876
  149    HE1  TYR  23           HE1      TYR  23 -12.312  -1.606  -3.458
  150    HE2  TYR  23           HE2      TYR  23 -14.427   0.133  -0.147
  151    HH   TYR  23           HH       TYR  23 -15.409  -0.663  -2.006
  152    HA   PRO  24           HA       PRO  24  -6.217   3.850   1.222
  153   1HB   PRO  24           HB2      PRO  24  -6.862   4.761   3.733
  154   2HB   PRO  24           HB1      PRO  24  -7.222   5.657   2.247
  155   1HG   PRO  24           HG2      PRO  24  -9.077   4.144   4.020
  156   2HG   PRO  24           HG1      PRO  24  -9.420   5.502   2.935
  157   1HD   PRO  24           HD2      PRO  24  -9.964   2.766   2.412
  158   2HD   PRO  24           HD1      PRO  24 -10.024   4.094   1.232
  159    H    ASN  25           HN       ASN  25  -7.777   1.156   2.330
  160    HA   ASN  25           HA       ASN  25  -6.025   0.605   4.633
  161   1HB   ASN  25           HB2      ASN  25  -8.508  -0.146   4.308
  162   2HB   ASN  25           HB1      ASN  25  -7.811  -1.431   3.323
  163   1HD2  ASN  25          HD21      ASN  25  -8.458  -3.035   4.983
  164   2HD2  ASN  25          HD22      ASN  25  -7.581  -3.172   6.429
  165    H    ALA  26           HN       ALA  26  -3.932   0.496   3.708
  166    HA   ALA  26           HA       ALA  26  -3.443  -1.983   2.146
  167   1HB   ALA  26           HB1      ALA  26  -3.150   0.739   1.154
  168   2HB   ALA  26           HB2      ALA  26  -3.038  -0.787   0.276
  169   3HB   ALA  26           HB3      ALA  26  -1.621  -0.139   1.101
  170    H    LYS  27           HN       LYS  27  -1.244  -2.769   2.396
  171    HA   LYS  27           HA       LYS  27   0.221  -1.473   4.661
  172   1HB   LYS  27           HB2      LYS  27  -0.693  -4.262   4.285
  173   2HB   LYS  27           HB1      LYS  27   0.970  -4.088   4.850
  174   1HG   LYS  27           HG2      LYS  27  -0.623  -4.203   6.744
  175   2HG   LYS  27           HG1      LYS  27   0.214  -2.651   6.694
  176   1HD   LYS  27           HD2      LYS  27  -1.685  -1.494   6.183
  177   2HD   LYS  27           HD1      LYS  27  -2.306  -2.778   5.144
  178   1HE   LYS  27           HE2      LYS  27  -3.205  -3.980   6.952
  179   2HE   LYS  27           HE1      LYS  27  -2.179  -3.158   8.128
  180   1HZ   LYS  27           HZ1      LYS  27  -3.536  -1.374   8.209
  181   2HZ   LYS  27           HZ2      LYS  27  -4.707  -2.512   7.740
  182   3HZ   LYS  27           HZ3      LYS  27  -3.999  -1.491   6.582
  183    H    CYS  28           HN       CYS  28   2.505  -1.511   4.514
  184    HA   CYS  28           HA       CYS  28   3.532  -2.053   1.771
  185   1HB   CYS  28           HB2      CYS  28   4.520  -0.372   4.079
  186   2HB   CYS  28           HB1      CYS  28   5.571  -0.780   2.724
  187    H    MET  29           HN       MET  29   3.959  -4.277   1.814
  188    HA   MET  29           HA       MET  29   5.628  -5.306   4.051
  189   1HB   MET  29           HB2      MET  29   3.444  -6.438   3.080
  190   2HB   MET  29           HB1      MET  29   4.561  -7.054   1.863
  191   1HG   MET  29           HG2      MET  29   5.833  -7.377   4.379
  192   2HG   MET  29           HG1      MET  29   4.181  -7.963   4.564
  193   1HE   MET  29           HE1      MET  29   4.098 -10.361   4.624
  194   2HE   MET  29           HE2      MET  29   4.099 -11.257   3.106
  195   3HE   MET  29           HE3      MET  29   3.092  -9.820   3.272
  196    H    ASN  30           HN       ASN  30   7.717  -4.663   3.508
  197    HA   ASN  30           HA       ASN  30   9.765  -4.715   2.368
  198   1HB   ASN  30           HB2      ASN  30   8.439  -7.262   1.856
  199   2HB   ASN  30           HB1      ASN  30   9.516  -6.803   0.535
  200   1HD2  ASN  30          HD21      ASN  30   9.608  -6.633   4.150
  201   2HD2  ASN  30          HD22      ASN  30  11.201  -7.210   4.276
  202    H    ARG  31           HN       ARG  31   8.326  -2.746   1.353
  203    HA   ARG  31           HA       ARG  31   8.045  -1.426  -0.565
  204   1HB   ARG  31           HB2      ARG  31  10.113  -3.426  -1.332
  205   2HB   ARG  31           HB1      ARG  31   9.338  -2.539  -2.646
  206   1HG   ARG  31           HG2      ARG  31  10.807  -0.879  -2.200
  207   2HG   ARG  31           HG1      ARG  31   9.842  -0.567  -0.758
  208   1HD   ARG  31           HD2      ARG  31  11.731  -1.008   0.407
  209   2HD   ARG  31           HD1      ARG  31  11.425  -2.701   0.015
  210    HE   ARG  31           HE       ARG  31  13.301  -2.609  -1.397
  211   1HH1  ARG  31          HH21      ARG  31  12.809   0.457  -0.111
  212   2HH1  ARG  31          HH22      ARG  31  13.647   1.309  -1.365
  213   1HH2  ARG  31          HH11      ARG  31  14.026  -1.490  -3.378
  214   2HH2  ARG  31          HH12      ARG  31  14.337   0.206  -3.215
  215    H    LYS  32           HN       LYS  32   6.525  -4.182  -0.067
  216    HA   LYS  32           HA       LYS  32   5.337  -4.337  -2.804
  217   1HB   LYS  32           HB2      LYS  32   6.147  -6.355  -0.993
  218   2HB   LYS  32           HB1      LYS  32   4.384  -6.390  -1.016
  219   1HG   LYS  32           HG2      LYS  32   6.134  -6.400  -3.491
  220   2HG   LYS  32           HG1      LYS  32   5.395  -7.837  -2.782
  221   1HD   LYS  32           HD2      LYS  32   3.317  -7.308  -3.555
  222   2HD   LYS  32           HD1      LYS  32   3.542  -5.582  -3.265
  223   1HE   LYS  32           HE2      LYS  32   3.522  -5.660  -5.598
  224   2HE   LYS  32           HE1      LYS  32   5.250  -5.758  -5.258
  225   1HZ   LYS  32           HZ1      LYS  32   3.798  -7.544  -6.715
  226   2HZ   LYS  32           HZ2      LYS  32   3.976  -8.318  -5.213
  227   3HZ   LYS  32           HZ3      LYS  32   5.347  -7.807  -6.077
  228    H    CYS  33           HN       CYS  33   3.776  -2.735  -2.754
  229    HA   CYS  33           HA       CYS  33   2.148  -2.190  -0.432
  230   1HB   CYS  33           HB2      CYS  33   2.329  -1.241  -3.221
  231   2HB   CYS  33           HB1      CYS  33   0.713  -1.164  -2.520
  232    H    LYS  34           HN       LYS  34   0.212  -3.074   0.155
  233    HA   LYS  34           HA       LYS  34  -1.156  -4.878  -1.791
  234   1HB   LYS  34           HB2      LYS  34  -0.851  -5.503   1.158
  235   2HB   LYS  34           HB1      LYS  34  -1.486  -6.559  -0.104
  236   1HG   LYS  34           HG2      LYS  34   0.670  -6.787  -1.123
  237   2HG   LYS  34           HG1      LYS  34   1.344  -5.488  -0.139
  238   1HD   LYS  34           HD2      LYS  34   2.015  -7.087   1.305
  239   2HD   LYS  34           HD1      LYS  34   0.315  -7.279   1.733
  240   1HE   LYS  34           HE2      LYS  34   1.527  -8.714  -0.632
  241   2HE   LYS  34           HE1      LYS  34   1.565  -9.401   0.992
  242   1HZ   LYS  34           HZ1      LYS  34  -0.790  -8.752  -0.672
  243   2HZ   LYS  34           HZ2      LYS  34  -0.919  -8.961   1.010
  244   3HZ   LYS  34           HZ3      LYS  34  -0.371 -10.238   0.032
  245    H    CYS  35           HN       CYS  35  -2.804  -3.331  -2.142
  246    HA   CYS  35           HA       CYS  35  -4.228  -2.258   0.221
  247   1HB   CYS  35           HB2      CYS  35  -5.367  -1.717  -2.451
  248   2HB   CYS  35           HB1      CYS  35  -5.004  -0.603  -1.137
  249    H    PHE  36           HN       PHE  36  -5.781  -3.532   1.094
  250    HA   PHE  36           HA       PHE  36  -7.081  -5.593  -0.575
  251   1HB   PHE  36           HB2      PHE  36  -7.006  -4.984   2.373
  252   2HB   PHE  36           HB1      PHE  36  -8.228  -6.074   1.718
  253    HD1  PHE  36           HD1      PHE  36  -4.796  -5.734   2.750
  254    HD2  PHE  36           HD2      PHE  36  -7.444  -8.054   0.291
  255    HE1  PHE  36           HE1      PHE  36  -3.129  -7.568   2.687
  256    HE2  PHE  36           HE2      PHE  36  -5.777  -9.889   0.226
  257    HZ   PHE  36           HZ       PHE  36  -3.620  -9.646   1.425
  258    H    GLY  37           HN       GLY  37  -8.291  -3.138   1.746
  259   1HA   GLY  37           HA2      GLY  37 -10.147  -1.700   1.547
  260   2HA   GLY  37           HA1      GLY  37 -10.232  -2.131  -0.162
  261    H    ARG  38           HN       ARG  38 -11.195  -3.140   3.086
  262    HA   ARG  38           HA       ARG  38 -13.721  -4.139   2.212
  263   1HB   ARG  38           HB2      ARG  38 -11.457  -6.054   2.196
  264   2HB   ARG  38           HB1      ARG  38 -12.926  -6.617   2.995
  265   1HG   ARG  38           HG2      ARG  38 -13.902  -5.412   0.705
  266   2HG   ARG  38           HG1      ARG  38 -12.413  -6.171   0.143
  267   1HD   ARG  38           HD2      ARG  38 -13.712  -8.016   1.883
  268   2HD   ARG  38           HD1      ARG  38 -14.919  -7.421   0.743
  269    HE   ARG  38           HE       ARG  38 -13.593  -8.327  -1.069
  270   1HH1  ARG  38          HH11      ARG  38 -11.328  -7.997   1.319
  271   2HH1  ARG  38          HH12      ARG  38 -10.645  -9.582   1.167
  272   1HH2  ARG  38          HH21      ARG  38 -13.132 -10.739  -0.954
  273   2HH2  ARG  38          HH22      ARG  38 -11.668 -11.135  -0.116
  Start of MODEL    5
    1   1H    THR   4           HT1      THR   4   6.186  -2.995  -6.452
    2   2H    THR   4           HT2      THR   4   6.628  -3.545  -7.998
    3   3H    THR   4           HT3      THR   4   5.083  -3.888  -7.380
    4    HA   THR   4           HA       THR   4   5.722  -1.804  -9.006
    5    HB   THR   4           HB       THR   4   3.397  -2.195  -7.106
    6    HG1  THR   4           HG1      THR   4   3.555  -3.851  -8.563
    7   1HG2  THR   4          HG21      THR   4   2.198  -0.570  -8.332
    8   2HG2  THR   4          HG22      THR   4   3.381  -0.560  -9.640
    9   3HG2  THR   4          HG23      THR   4   3.781   0.165  -8.083
   10    H    ILE   5           HN       ILE   5   4.069  -0.737  -6.154
   11    HA   ILE   5           HA       ILE   5   5.489   1.713  -6.004
   12    HB   ILE   5           HB       ILE   5   4.071   0.389  -3.717
   13   1HG1  ILE   5          HG12      ILE   5   2.608   0.277  -5.678
   14   2HG1  ILE   5          HG11      ILE   5   2.023   1.525  -4.578
   15   1HG2  ILE   5          HG21      ILE   5   4.765   3.211  -4.484
   16   2HG2  ILE   5          HG22      ILE   5   5.115   2.366  -2.976
   17   3HG2  ILE   5          HG23      ILE   5   3.465   2.869  -3.344
   18   1HD1  ILE   5          HD11      ILE   5   3.824   2.066  -6.954
   19   2HD1  ILE   5          HD12      ILE   5   3.065   3.267  -5.909
   20   3HD1  ILE   5          HD13      ILE   5   2.072   2.268  -6.970
   21    H    SER   6           HN       SER   6   6.713   2.400  -3.970
   22    HA   SER   6           HA       SER   6   8.393   0.205  -2.857
   23   1HB   SER   6           HB2      SER   6   9.455   2.781  -4.064
   24   2HB   SER   6           HB1      SER   6  10.424   1.589  -3.203
   25    HG   SER   6           HG       SER   6   9.644   0.059  -4.812
   26    H    CYS   7           HN       CYS   7   7.283   0.519  -0.852
   27    HA   CYS   7           HA       CYS   7   7.967   3.096   0.504
   28   1HB   CYS   7           HB2      CYS   7   5.772   2.837   1.735
   29   2HB   CYS   7           HB1      CYS   7   5.608   3.203   0.015
   30    H    THR   8           HN       THR   8   7.274   2.644   3.015
   31    HA   THR   8           HA       THR   8   8.317  -0.027   3.815
   32    HB   THR   8           HB       THR   8  10.299   1.236   4.027
   33    HG1  THR   8           HG1      THR   8  10.124   1.895   6.431
   34   1HG2  THR   8          HG21      THR   8  10.369   3.533   4.842
   35   2HG2  THR   8          HG22      THR   8   8.642   3.489   5.195
   36   3HG2  THR   8          HG23      THR   8   9.203   3.420   3.524
   37    H    ASN   9           HN       ASN   9   6.745   3.014   4.771
   38    HA   ASN   9           HA       ASN   9   5.683   1.823   7.236
   39   1HB   ASN   9           HB2      ASN   9   6.282   4.348   6.706
   40   2HB   ASN   9           HB1      ASN   9   4.635   4.381   6.073
   41   1HD2  ASN   9          HD21      ASN   9   5.925   5.525   8.658
   42   2HD2  ASN   9          HD22      ASN   9   4.884   4.993   9.888
   43    H    GLU  10           HN       GLU  10   3.458   1.334   7.576
   44    HA   GLU  10           HA       GLU  10   2.087   0.158   5.360
   45   1HB   GLU  10           HB2      GLU  10   1.677  -0.632   7.612
   46   2HB   GLU  10           HB1      GLU  10   1.118   0.961   8.118
   47   1HG   GLU  10           HG2      GLU  10  -0.644   0.674   6.206
   48   2HG   GLU  10           HG1      GLU  10  -0.250  -1.040   6.338
   49    H    LYS  11           HN       LYS  11   1.699   3.297   6.981
   50    HA   LYS  11           HA       LYS  11  -0.669   4.074   5.549
   51   1HB   LYS  11           HB2      LYS  11   0.251   5.111   7.683
   52   2HB   LYS  11           HB1      LYS  11   1.433   5.940   6.670
   53   1HG   LYS  11           HG2      LYS  11  -0.884   6.484   5.325
   54   2HG   LYS  11           HG1      LYS  11  -1.458   6.448   6.993
   55   1HD   LYS  11           HD2      LYS  11  -0.053   8.204   7.654
   56   2HD   LYS  11           HD1      LYS  11   1.047   7.963   6.296
   57   1HE   LYS  11           HE2      LYS  11  -1.799   8.718   5.732
   58   2HE   LYS  11           HE1      LYS  11  -0.677   9.968   6.272
   59   1HZ   LYS  11           HZ1      LYS  11   0.756   8.648   4.410
   60   2HZ   LYS  11           HZ2      LYS  11  -0.113  10.081   4.131
   61   3HZ   LYS  11           HZ3      LYS  11  -0.806   8.576   3.755
   62    H    GLN  12           HN       GLN  12   2.466   3.612   4.405
   63    HA   GLN  12           HA       GLN  12   2.637   5.845   2.574
   64   1HB   GLN  12           HB2      GLN  12   4.094   3.272   2.961
   65   2HB   GLN  12           HB1      GLN  12   4.232   4.056   1.388
   66   1HG   GLN  12           HG2      GLN  12   4.540   6.167   3.146
   67   2HG   GLN  12           HG1      GLN  12   5.374   4.850   3.970
   68   1HE2  GLN  12          HE21      GLN  12   5.059   5.536   0.445
   69   2HE2  GLN  12          HE22      GLN  12   6.730   5.610   0.161
   70    H    CYS  13           HN       CYS  13   0.480   3.303   2.606
   71    HA   CYS  13           HA       CYS  13   0.155   3.514  -0.362
   72   1HB   CYS  13           HB2      CYS  13  -0.531   1.062   1.276
   73   2HB   CYS  13           HB1      CYS  13  -0.499   1.207  -0.481
   74    H    TYR  14           HN       TYR  14  -1.111   4.854   2.108
   75    HA   TYR  14           HA       TYR  14  -3.846   3.900   2.171
   76   1HB   TYR  14           HB2      TYR  14  -2.294   6.099   3.372
   77   2HB   TYR  14           HB1      TYR  14  -3.988   6.490   3.065
   78    HD1  TYR  14           HD1      TYR  14  -2.229   3.328   4.060
   79    HD2  TYR  14           HD2      TYR  14  -5.225   6.249   5.031
   80    HE1  TYR  14           HE1      TYR  14  -2.889   1.991   6.042
   81    HE2  TYR  14           HE2      TYR  14  -5.886   4.912   7.014
   82    HH   TYR  14           HH       TYR  14  -4.002   2.246   8.145
   83    HA   PRO  15           HA       PRO  15  -4.665   7.624  -0.717
   84   1HB   PRO  15           HB2      PRO  15  -2.482   8.961  -1.715
   85   2HB   PRO  15           HB1      PRO  15  -3.294   9.404  -0.203
   86   1HG   PRO  15           HG2      PRO  15  -0.683   8.015  -0.596
   87   2HG   PRO  15           HG1      PRO  15  -1.227   9.022   0.757
   88   1HD   PRO  15           HD2      PRO  15  -1.123   6.199   0.734
   89   2HD   PRO  15           HD1      PRO  15  -1.975   7.199   1.928
   90    H    HIS  16           HN       HIS  16  -1.635   5.922  -1.503
   91    HA   HIS  16           HA       HIS  16  -2.041   5.910  -4.344
   92   1HB   HIS  16           HB2      HIS  16   0.127   5.307  -4.025
   93   2HB   HIS  16           HB1      HIS  16  -0.191   4.690  -2.409
   94    HD1  HIS  16           HD1      HIS  16  -0.085   3.638  -6.018
   95    HD2  HIS  16           HD2      HIS  16  -0.753   1.909  -2.286
   96    HE1  HIS  16           HE1      HIS  16  -0.054   1.130  -6.376
   97    H    CYS  17           HN       CYS  17  -3.150   3.783  -1.742
   98    HA   CYS  17           HA       CYS  17  -4.108   1.716  -3.545
   99   1HB   CYS  17           HB2      CYS  17  -4.340   2.296  -0.630
  100   2HB   CYS  17           HB1      CYS  17  -5.566   1.252  -1.347
  101    H    LYS  18           HN       LYS  18  -5.710   4.379  -1.764
  102    HA   LYS  18           HA       LYS  18  -8.345   3.825  -2.682
  103   1HB   LYS  18           HB2      LYS  18  -7.948   5.422  -0.885
  104   2HB   LYS  18           HB1      LYS  18  -7.059   6.479  -1.983
  105   1HG   LYS  18           HG2      LYS  18  -9.139   6.653  -3.389
  106   2HG   LYS  18           HG1      LYS  18 -10.000   5.764  -2.133
  107   1HD   LYS  18           HD2      LYS  18  -8.676   7.748  -0.714
  108   2HD   LYS  18           HD1      LYS  18  -9.186   8.572  -2.188
  109   1HE   LYS  18           HE2      LYS  18 -11.237   8.745  -1.268
  110   2HE   LYS  18           HE1      LYS  18 -11.385   6.997  -1.458
  111   1HZ   LYS  18           HZ1      LYS  18  -9.963   7.066   0.749
  112   2HZ   LYS  18           HZ2      LYS  18 -11.660   7.142   0.769
  113   3HZ   LYS  18           HZ3      LYS  18 -10.741   8.564   0.920
  114    H    LYS  19           HN       LYS  19  -5.654   5.453  -4.259
  115    HA   LYS  19           HA       LYS  19  -7.321   6.531  -6.405
  116   1HB   LYS  19           HB2      LYS  19  -4.336   6.326  -5.986
  117   2HB   LYS  19           HB1      LYS  19  -5.041   6.985  -7.463
  118   1HG   LYS  19           HG2      LYS  19  -6.344   8.150  -5.173
  119   2HG   LYS  19           HG1      LYS  19  -4.597   8.344  -5.020
  120   1HD   LYS  19           HD2      LYS  19  -4.447   9.695  -6.871
  121   2HD   LYS  19           HD1      LYS  19  -5.773   8.878  -7.703
  122   1HE   LYS  19           HE2      LYS  19  -6.467  11.139  -7.068
  123   2HE   LYS  19           HE1      LYS  19  -7.382   9.951  -6.139
  124   1HZ   LYS  19           HZ1      LYS  19  -6.214  11.974  -4.981
  125   2HZ   LYS  19           HZ2      LYS  19  -4.865  10.944  -5.021
  126   3HZ   LYS  19           HZ3      LYS  19  -6.286  10.457  -4.228
  127    H    GLU  20           HN       GLU  20  -5.354   3.643  -5.909
  128    HA   GLU  20           HA       GLU  20  -5.490   2.872  -8.723
  129   1HB   GLU  20           HB2      GLU  20  -3.691   2.221  -6.956
  130   2HB   GLU  20           HB1      GLU  20  -4.844   0.973  -6.478
  131   1HG   GLU  20           HG2      GLU  20  -4.646  -0.172  -8.475
  132   2HG   GLU  20           HG1      GLU  20  -4.253   1.284  -9.392
  133    H    THR  21           HN       THR  21  -7.466   2.364  -5.884
  134    HA   THR  21           HA       THR  21  -9.382   0.878  -7.588
  135    HB   THR  21           HB       THR  21  -7.925  -0.787  -6.348
  136    HG1  THR  21           HG1      THR  21  -9.690  -1.853  -6.656
  137   1HG2  THR  21          HG21      THR  21  -7.877   0.764  -4.279
  138   2HG2  THR  21          HG22      THR  21  -8.048  -0.969  -3.999
  139   3HG2  THR  21          HG23      THR  21  -9.460   0.084  -3.905
  140    H    GLY  22           HN       GLY  22  -8.731   2.421  -4.448
  141   1HA   GLY  22           HA2      GLY  22 -10.400   4.303  -3.981
  142   2HA   GLY  22           HA1      GLY  22 -11.643   3.099  -4.315
  143    H    TYR  23           HN       TYR  23  -8.863   1.892  -2.684
  144    HA   TYR  23           HA       TYR  23 -10.398   1.944  -0.121
  145   1HB   TYR  23           HB2      TYR  23  -9.011  -0.222  -1.559
  146   2HB   TYR  23           HB1      TYR  23  -8.641  -0.140   0.163
  147    HD1  TYR  23           HD1      TYR  23 -11.545  -0.034  -2.204
  148    HD2  TYR  23           HD2      TYR  23 -10.121  -1.078   1.711
  149    HE1  TYR  23           HE1      TYR  23 -13.743  -1.056  -1.677
  150    HE2  TYR  23           HE2      TYR  23 -12.317  -2.100   2.239
  151    HH   TYR  23           HH       TYR  23 -15.074  -1.711   0.154
  152    HA   PRO  24           HA       PRO  24  -6.805   4.120   1.337
  153   1HB   PRO  24           HB2      PRO  24  -7.672   4.368   3.932
  154   2HB   PRO  24           HB1      PRO  24  -8.265   5.382   2.605
  155   1HG   PRO  24           HG2      PRO  24  -9.636   3.137   4.006
  156   2HG   PRO  24           HG1      PRO  24 -10.337   4.523   3.156
  157   1HD   PRO  24           HD2      PRO  24 -10.115   1.880   2.146
  158   2HD   PRO  24           HD1      PRO  24 -10.543   3.329   1.213
  159    H    ASN  25           HN       ASN  25  -8.187   1.623   3.507
  160    HA   ASN  25           HA       ASN  25  -5.966   0.976   5.034
  161   1HB   ASN  25           HB2      ASN  25  -7.878  -1.030   3.798
  162   2HB   ASN  25           HB1      ASN  25  -6.890  -1.286   5.237
  163   1HD2  ASN  25          HD21      ASN  25  -7.586   1.815   5.738
  164   2HD2  ASN  25          HD22      ASN  25  -9.088   1.701   6.518
  165    H    ALA  26           HN       ALA  26  -3.914   0.759   4.249
  166    HA   ALA  26           HA       ALA  26  -3.418  -1.369   2.261
  167   1HB   ALA  26           HB1      ALA  26  -2.184   0.021   0.745
  168   2HB   ALA  26           HB2      ALA  26  -2.284   1.405   1.834
  169   3HB   ALA  26           HB3      ALA  26  -3.732   0.823   1.011
  170    H    LYS  27           HN       LYS  27  -1.290  -2.209   2.418
  171    HA   LYS  27           HA       LYS  27   0.431  -1.008   4.544
  172   1HB   LYS  27           HB2      LYS  27   0.991  -3.338   5.266
  173   2HB   LYS  27           HB1      LYS  27  -0.703  -2.924   5.537
  174   1HG   LYS  27           HG2      LYS  27  -1.086  -4.899   4.458
  175   2HG   LYS  27           HG1      LYS  27  -0.841  -3.921   3.010
  176   1HD   LYS  27           HD2      LYS  27   0.781  -5.434   2.518
  177   2HD   LYS  27           HD1      LYS  27   1.742  -4.537   3.694
  178   1HE   LYS  27           HE2      LYS  27   0.382  -6.163   5.373
  179   2HE   LYS  27           HE1      LYS  27   0.443  -7.198   3.945
  180   1HZ   LYS  27           HZ1      LYS  27   2.874  -6.713   3.864
  181   2HZ   LYS  27           HZ2      LYS  27   2.381  -7.621   5.212
  182   3HZ   LYS  27           HZ3      LYS  27   2.727  -5.966   5.379
  183    H    CYS  28           HN       CYS  28   2.731  -1.702   4.337
  184    HA   CYS  28           HA       CYS  28   3.436  -2.052   1.462
  185   1HB   CYS  28           HB2      CYS  28   5.050  -1.059   3.830
  186   2HB   CYS  28           HB1      CYS  28   5.703  -1.266   2.205
  187    H    MET  29           HN       MET  29   3.860  -4.139   0.921
  188    HA   MET  29           HA       MET  29   5.184  -5.881   2.962
  189   1HB   MET  29           HB2      MET  29   2.891  -6.526   1.952
  190   2HB   MET  29           HB1      MET  29   3.787  -6.860   0.470
  191   1HG   MET  29           HG2      MET  29   5.279  -8.088   2.504
  192   2HG   MET  29           HG1      MET  29   3.597  -8.454   2.890
  193   1HE   MET  29           HE1      MET  29   6.221 -10.714   1.083
  194   2HE   MET  29           HE2      MET  29   6.539  -9.002   1.349
  195   3HE   MET  29           HE3      MET  29   6.374  -9.616  -0.294
  196    H    ASN  30           HN       ASN  30   7.347  -6.066   2.574
  197    HA   ASN  30           HA       ASN  30   9.381  -6.109   1.391
  198   1HB   ASN  30           HB2      ASN  30   8.459  -8.295   0.704
  199   2HB   ASN  30           HB1      ASN  30   7.603  -7.517  -0.627
  200   1HD2  ASN  30          HD21      ASN  30   8.709  -7.943  -2.540
  201   2HD2  ASN  30          HD22      ASN  30  10.397  -7.906  -2.720
  202    H    ARG  31           HN       ARG  31   8.325  -3.645   1.206
  203    HA   ARG  31           HA       ARG  31   8.238  -1.709  -0.117
  204   1HB   ARG  31           HB2      ARG  31  10.248  -3.478  -1.453
  205   2HB   ARG  31           HB1      ARG  31   9.718  -2.027  -2.306
  206   1HG   ARG  31           HG2      ARG  31  10.179  -1.281   0.396
  207   2HG   ARG  31           HG1      ARG  31  11.571  -2.232  -0.122
  208   1HD   ARG  31           HD2      ARG  31  11.769  -0.802  -2.144
  209   2HD   ARG  31           HD1      ARG  31  10.419   0.174  -1.564
  210    HE   ARG  31           HE       ARG  31  12.779  -0.102   0.213
  211   1HH1  ARG  31          HH11      ARG  31  13.374   1.641  -2.168
  212   2HH1  ARG  31          HH12      ARG  31  12.911   3.206  -1.588
  213   1HH2  ARG  31          HH21      ARG  31  11.070   1.966   1.075
  214   2HH2  ARG  31          HH22      ARG  31  11.610   3.390   0.249
  215    H    LYS  32           HN       LYS  32   6.156  -3.697  -0.469
  216    HA   LYS  32           HA       LYS  32   5.392  -3.047  -3.283
  217   1HB   LYS  32           HB2      LYS  32   6.076  -5.542  -2.663
  218   2HB   LYS  32           HB1      LYS  32   4.432  -5.590  -2.027
  219   1HG   LYS  32           HG2      LYS  32   3.700  -5.943  -4.125
  220   2HG   LYS  32           HG1      LYS  32   4.230  -4.309  -4.525
  221   1HD   LYS  32           HD2      LYS  32   5.758  -5.203  -5.914
  222   2HD   LYS  32           HD1      LYS  32   6.568  -5.889  -4.504
  223   1HE   LYS  32           HE2      LYS  32   4.169  -7.358  -5.437
  224   2HE   LYS  32           HE1      LYS  32   5.558  -7.399  -6.524
  225   1HZ   LYS  32           HZ1      LYS  32   6.729  -7.829  -4.165
  226   2HZ   LYS  32           HZ2      LYS  32   6.199  -9.070  -5.196
  227   3HZ   LYS  32           HZ3      LYS  32   5.228  -8.571  -3.894
  228    H    CYS  33           HN       CYS  33   3.990  -1.368  -2.668
  229    HA   CYS  33           HA       CYS  33   2.304  -1.156  -0.492
  230   1HB   CYS  33           HB2      CYS  33   2.137  -0.236  -3.315
  231   2HB   CYS  33           HB1      CYS  33   0.638  -0.183  -2.387
  232    H    LYS  34           HN       LYS  34   0.102  -1.789  -0.067
  233    HA   LYS  34           HA       LYS  34  -1.039  -3.900  -1.807
  234   1HB   LYS  34           HB2      LYS  34   0.173  -4.338   0.843
  235   2HB   LYS  34           HB1      LYS  34  -1.457  -4.992   0.681
  236   1HG   LYS  34           HG2      LYS  34  -0.237  -5.684  -1.721
  237   2HG   LYS  34           HG1      LYS  34   1.037  -5.920  -0.526
  238   1HD   LYS  34           HD2      LYS  34  -0.306  -7.429   0.751
  239   2HD   LYS  34           HD1      LYS  34  -1.762  -7.000  -0.146
  240   1HE   LYS  34           HE2      LYS  34   0.504  -8.019  -1.770
  241   2HE   LYS  34           HE1      LYS  34  -0.274  -9.193  -0.709
  242   1HZ   LYS  34           HZ1      LYS  34  -1.291  -9.042  -2.940
  243   2HZ   LYS  34           HZ2      LYS  34  -1.732  -7.436  -2.604
  244   3HZ   LYS  34           HZ3      LYS  34  -2.382  -8.708  -1.685
  245    H    CYS  35           HN       CYS  35  -3.266  -3.789  -1.834
  246    HA   CYS  35           HA       CYS  35  -4.511  -1.850   0.067
  247   1HB   CYS  35           HB2      CYS  35  -5.697  -2.822  -2.542
  248   2HB   CYS  35           HB1      CYS  35  -6.158  -1.402  -1.602
  249    H    PHE  36           HN       PHE  36  -5.621  -2.829   1.680
  250    HA   PHE  36           HA       PHE  36  -6.259  -5.606   1.742
  251   1HB   PHE  36           HB2      PHE  36  -7.138  -3.217   3.341
  252   2HB   PHE  36           HB1      PHE  36  -7.925  -4.775   3.590
  253    HD1  PHE  36           HD1      PHE  36  -5.093  -2.751   4.402
  254    HD2  PHE  36           HD2      PHE  36  -6.380  -6.827   3.986
  255    HE1  PHE  36           HE1      PHE  36  -3.183  -3.495   5.797
  256    HE2  PHE  36           HE2      PHE  36  -4.469  -7.571   5.382
  257    HZ   PHE  36           HZ       PHE  36  -2.870  -5.905   6.287
  258    H    GLY  37           HN       GLY  37  -8.002  -2.843   0.483
  259   1HA   GLY  37           HA2      GLY  37 -10.634  -3.813   0.403
  260   2HA   GLY  37           HA1      GLY  37  -9.942  -2.774  -0.844
  261    H    ARG  38           HN       ARG  38  -7.844  -4.813  -1.459
  262    HA   ARG  38           HA       ARG  38  -9.278  -6.219  -3.526
  263   1HB   ARG  38           HB2      ARG  38  -6.624  -5.622  -3.033
  264   2HB   ARG  38           HB1      ARG  38  -6.682  -7.366  -2.771
  265   1HG   ARG  38           HG2      ARG  38  -6.236  -7.052  -5.105
  266   2HG   ARG  38           HG1      ARG  38  -7.929  -7.536  -4.984
  267   1HD   ARG  38           HD2      ARG  38  -8.649  -5.570  -5.826
  268   2HD   ARG  38           HD1      ARG  38  -7.597  -4.645  -4.754
  269    HE   ARG  38           HE       ARG  38  -6.841  -5.662  -7.447
  270   1HH1  ARG  38          HH21      ARG  38  -5.159  -5.026  -4.686
  271   2HH1  ARG  38          HH22      ARG  38  -4.262  -3.677  -5.297
  272   1HH2  ARG  38          HH11      ARG  38  -6.128  -3.417  -8.208
  273   2HH2  ARG  38          HH12      ARG  38  -4.812  -2.764  -7.293
  Start of MODEL    6
    1   1H    THR   4           HT1      THR   4   4.779  -3.541  -5.895
    2   2H    THR   4           HT2      THR   4   5.144  -4.099  -7.457
    3   3H    THR   4           HT3      THR   4   3.615  -4.398  -6.781
    4    HA   THR   4           HA       THR   4   3.780  -2.544  -8.490
    5    HB   THR   4           HB       THR   4   2.680  -1.531  -5.894
    6    HG1  THR   4           HG1      THR   4   1.098  -3.085  -5.933
    7   1HG2  THR   4          HG21      THR   4   1.843  -1.664  -8.785
    8   2HG2  THR   4          HG22      THR   4   2.036  -0.242  -7.761
    9   3HG2  THR   4          HG23      THR   4   0.665  -1.324  -7.519
   10    H    ILE   5           HN       ILE   5   3.472  -0.012  -6.647
   11    HA   ILE   5           HA       ILE   5   5.892   1.232  -7.347
   12    HB   ILE   5           HB       ILE   5   5.148   3.010  -5.888
   13   1HG1  ILE   5          HG12      ILE   5   2.848   1.509  -4.791
   14   2HG1  ILE   5          HG11      ILE   5   4.422   1.047  -4.142
   15   1HG2  ILE   5          HG21      ILE   5   2.486   2.620  -6.506
   16   2HG2  ILE   5          HG22      ILE   5   3.316   1.593  -7.675
   17   3HG2  ILE   5          HG23      ILE   5   3.691   3.314  -7.591
   18   1HD1  ILE   5          HD11      ILE   5   3.275   2.914  -2.875
   19   2HD1  ILE   5          HD12      ILE   5   3.471   3.917  -4.312
   20   3HD1  ILE   5          HD13      ILE   5   4.891   3.311  -3.460
   21    H    SER   6           HN       SER   6   6.823   2.444  -5.006
   22    HA   SER   6           HA       SER   6   7.931   0.133  -3.462
   23   1HB   SER   6           HB2      SER   6  10.021   1.622  -3.263
   24   2HB   SER   6           HB1      SER   6   9.736   0.864  -4.827
   25    HG   SER   6           HG       SER   6   9.060   3.511  -4.044
   26    H    CYS   7           HN       CYS   7   6.620   0.410  -1.642
   27    HA   CYS   7           HA       CYS   7   6.560   3.114  -0.397
   28   1HB   CYS   7           HB2      CYS   7   4.739   2.199   0.997
   29   2HB   CYS   7           HB1      CYS   7   4.387   1.990  -0.718
   30    H    THR   8           HN       THR   8   7.369   3.447   1.684
   31    HA   THR   8           HA       THR   8   8.899   1.154   2.847
   32    HB   THR   8           HB       THR   8  10.413   2.899   2.069
   33    HG1  THR   8           HG1      THR   8  11.089   3.632   4.308
   34   1HG2  THR   8          HG21      THR   8  10.097   5.163   3.444
   35   2HG2  THR   8          HG22      THR   8   8.411   4.649   3.425
   36   3HG2  THR   8          HG23      THR   8   9.273   4.897   1.907
   37    H    ASN   9           HN       ASN   9   6.066   2.362   3.260
   38    HA   ASN   9           HA       ASN   9   6.056   2.001   6.158
   39   1HB   ASN   9           HB2      ASN   9   6.487   4.593   5.269
   40   2HB   ASN   9           HB1      ASN   9   4.742   4.545   5.529
   41   1HD2  ASN   9          HD21      ASN   9   4.043   4.757   7.672
   42   2HD2  ASN   9          HD22      ASN   9   5.046   4.606   9.033
   43    H    GLU  10           HN       GLU  10   3.787   1.987   6.979
   44    HA   GLU  10           HA       GLU  10   2.023   0.647   5.160
   45   1HB   GLU  10           HB2      GLU  10   2.149   1.006   7.907
   46   2HB   GLU  10           HB1      GLU  10   0.700   1.902   7.452
   47   1HG   GLU  10           HG2      GLU  10  -0.298  -0.144   7.566
   48   2HG   GLU  10           HG1      GLU  10   0.385  -0.349   5.953
   49    H    LYS  11           HN       LYS  11   1.856   3.934   6.572
   50    HA   LYS  11           HA       LYS  11  -0.477   4.718   5.112
   51   1HB   LYS  11           HB2      LYS  11   0.367   5.905   7.124
   52   2HB   LYS  11           HB1      LYS  11   1.745   6.479   6.184
   53   1HG   LYS  11           HG2      LYS  11   0.371   7.797   4.767
   54   2HG   LYS  11           HG1      LYS  11  -1.096   6.974   5.293
   55   1HD   LYS  11           HD2      LYS  11  -0.422   7.880   7.666
   56   2HD   LYS  11           HD1      LYS  11   0.533   9.040   6.741
   57   1HE   LYS  11           HE2      LYS  11  -2.426   8.533   6.314
   58   2HE   LYS  11           HE1      LYS  11  -1.768   9.874   7.254
   59   1HZ   LYS  11           HZ1      LYS  11  -0.419  10.340   5.135
   60   2HZ   LYS  11           HZ2      LYS  11  -2.059  10.783   5.166
   61   3HZ   LYS  11           HZ3      LYS  11  -1.573   9.372   4.356
   62    H    GLN  12           HN       GLN  12   2.642   4.099   3.949
   63    HA   GLN  12           HA       GLN  12   2.871   6.190   1.988
   64   1HB   GLN  12           HB2      GLN  12   4.177   3.597   2.521
   65   2HB   GLN  12           HB1      GLN  12   4.177   4.089   0.829
   66   1HG   GLN  12           HG2      GLN  12   4.880   6.153   2.870
   67   2HG   GLN  12           HG1      GLN  12   6.078   4.906   2.520
   68   1HE2  GLN  12          HE21      GLN  12   7.440   5.411   0.804
   69   2HE2  GLN  12          HE22      GLN  12   7.050   6.455  -0.477
   70    H    CYS  13           HN       CYS  13   1.385   2.951   1.877
   71    HA   CYS  13           HA       CYS  13   0.485   3.488  -0.896
   72   1HB   CYS  13           HB2      CYS  13   0.043   1.032   0.830
   73   2HB   CYS  13           HB1      CYS  13  -0.277   1.167  -0.899
   74    H    TYR  14           HN       TYR  14  -0.573   4.503   1.974
   75    HA   TYR  14           HA       TYR  14  -3.317   3.662   2.046
   76   1HB   TYR  14           HB2      TYR  14  -1.654   5.701   3.369
   77   2HB   TYR  14           HB1      TYR  14  -3.352   6.150   3.200
   78    HD1  TYR  14           HD1      TYR  14  -4.672   5.596   5.031
   79    HD2  TYR  14           HD2      TYR  14  -1.425   3.006   3.939
   80    HE1  TYR  14           HE1      TYR  14  -5.253   4.078   6.904
   81    HE2  TYR  14           HE2      TYR  14  -2.006   1.487   5.813
   82    HH   TYR  14           HH       TYR  14  -3.704   2.254   8.340
   83    HA   PRO  15           HA       PRO  15  -4.232   7.663  -0.401
   84   1HB   PRO  15           HB2      PRO  15  -2.090   9.064  -1.395
   85   2HB   PRO  15           HB1      PRO  15  -2.788   9.354   0.208
   86   1HG   PRO  15           HG2      PRO  15  -0.239   7.979  -0.508
   87   2HG   PRO  15           HG1      PRO  15  -0.674   8.832   0.982
   88   1HD   PRO  15           HD2      PRO  15  -0.635   6.027   0.619
   89   2HD   PRO  15           HD1      PRO  15  -1.361   6.895   1.988
   90    H    HIS  16           HN       HIS  16  -1.304   5.998  -1.558
   91    HA   HIS  16           HA       HIS  16  -1.852   6.324  -4.350
   92   1HB   HIS  16           HB2      HIS  16   0.304   5.632  -4.215
   93   2HB   HIS  16           HB1      HIS  16   0.045   4.845  -2.664
   94    HD1  HIS  16           HD1      HIS  16   0.346   4.170  -6.286
   95    HD2  HIS  16           HD2      HIS  16  -0.960   2.119  -2.902
   96    HE1  HIS  16           HE1      HIS  16   0.206   1.726  -6.940
   97    H    CYS  17           HN       CYS  17  -2.438   3.507  -2.190
   98    HA   CYS  17           HA       CYS  17  -3.865   2.025  -4.205
   99   1HB   CYS  17           HB2      CYS  17  -3.410   1.781  -1.287
  100   2HB   CYS  17           HB1      CYS  17  -4.874   1.017  -1.897
  101    H    LYS  18           HN       LYS  18  -4.901   4.297  -1.678
  102    HA   LYS  18           HA       LYS  18  -7.677   3.914  -1.788
  103   1HB   LYS  18           HB2      LYS  18  -6.446   5.539  -0.296
  104   2HB   LYS  18           HB1      LYS  18  -6.317   6.620  -1.683
  105   1HG   LYS  18           HG2      LYS  18  -8.831   6.507  -1.899
  106   2HG   LYS  18           HG1      LYS  18  -8.861   5.636  -0.366
  107   1HD   LYS  18           HD2      LYS  18  -9.241   8.059  -0.029
  108   2HD   LYS  18           HD1      LYS  18  -7.746   7.530   0.744
  109   1HE   LYS  18           HE2      LYS  18  -6.523   8.928  -0.530
  110   2HE   LYS  18           HE1      LYS  18  -7.241   8.281  -2.005
  111   1HZ   LYS  18           HZ1      LYS  18  -7.701  10.649  -1.716
  112   2HZ   LYS  18           HZ2      LYS  18  -8.493  10.323  -0.249
  113   3HZ   LYS  18           HZ3      LYS  18  -9.127   9.731  -1.710
  114    H    LYS  19           HN       LYS  19  -5.596   5.768  -3.991
  115    HA   LYS  19           HA       LYS  19  -7.864   6.578  -5.656
  116   1HB   LYS  19           HB2      LYS  19  -4.968   7.096  -5.553
  117   2HB   LYS  19           HB1      LYS  19  -5.619   6.996  -7.189
  118   1HG   LYS  19           HG2      LYS  19  -7.492   8.562  -6.320
  119   2HG   LYS  19           HG1      LYS  19  -6.402   8.882  -4.971
  120   1HD   LYS  19           HD2      LYS  19  -5.468  10.455  -6.301
  121   2HD   LYS  19           HD1      LYS  19  -4.741   9.106  -7.175
  122   1HE   LYS  19           HE2      LYS  19  -6.415   9.120  -8.835
  123   2HE   LYS  19           HE1      LYS  19  -7.526  10.053  -7.832
  124   1HZ   LYS  19           HZ1      LYS  19  -6.579  11.474  -9.490
  125   2HZ   LYS  19           HZ2      LYS  19  -5.000  11.021  -9.055
  126   3HZ   LYS  19           HZ3      LYS  19  -5.956  11.925  -7.978
  127    H    GLU  20           HN       GLU  20  -5.661   3.891  -5.513
  128    HA   GLU  20           HA       GLU  20  -5.907   3.064  -8.267
  129   1HB   GLU  20           HB2      GLU  20  -4.075   2.212  -6.941
  130   2HB   GLU  20           HB1      GLU  20  -5.188   1.534  -5.751
  131   1HG   GLU  20           HG2      GLU  20  -4.383  -0.231  -7.256
  132   2HG   GLU  20           HG1      GLU  20  -6.111   0.029  -7.494
  133    H    THR  21           HN       THR  21  -7.379   1.643  -5.318
  134    HA   THR  21           HA       THR  21  -9.557   0.602  -7.071
  135    HB   THR  21           HB       THR  21  -8.355  -1.124  -5.812
  136    HG1  THR  21           HG1      THR  21 -10.858  -0.642  -4.583
  137   1HG2  THR  21          HG21      THR  21  -9.184  -0.604  -3.150
  138   2HG2  THR  21          HG22      THR  21  -8.440   0.878  -3.751
  139   3HG2  THR  21          HG23      THR  21  -7.537  -0.636  -3.777
  140    H    GLY  22           HN       GLY  22  -8.882   2.770  -4.437
  141   1HA   GLY  22           HA2      GLY  22 -10.592   4.551  -4.069
  142   2HA   GLY  22           HA1      GLY  22 -11.820   3.295  -4.218
  143    H    TYR  23           HN       TYR  23  -9.835   1.515  -2.630
  144    HA   TYR  23           HA       TYR  23 -10.857   2.373   0.019
  145   1HB   TYR  23           HB2      TYR  23  -9.500  -0.203  -0.830
  146   2HB   TYR  23           HB1      TYR  23 -10.207   0.108   0.754
  147    HD1  TYR  23           HD1      TYR  23 -11.080   0.121  -2.890
  148    HD2  TYR  23           HD2      TYR  23 -12.456  -0.403   1.143
  149    HE1  TYR  23           HE1      TYR  23 -13.297  -0.592  -3.740
  150    HE2  TYR  23           HE2      TYR  23 -14.675  -1.115   0.295
  151    HH   TYR  23           HH       TYR  23 -15.787  -0.535  -2.654
  152    HA   PRO  24           HA       PRO  24  -6.774   3.804   1.015
  153   1HB   PRO  24           HB2      PRO  24  -7.310   4.387   3.649
  154   2HB   PRO  24           HB1      PRO  24  -7.804   5.422   2.298
  155   1HG   PRO  24           HG2      PRO  24  -9.472   3.620   3.985
  156   2HG   PRO  24           HG1      PRO  24  -9.947   5.065   3.078
  157   1HD   PRO  24           HD2      PRO  24 -10.376   2.373   2.283
  158   2HD   PRO  24           HD1      PRO  24 -10.585   3.816   1.267
  159    H    ASN  25           HN       ASN  25  -8.469   1.239   2.694
  160    HA   ASN  25           HA       ASN  25  -6.551   0.370   4.555
  161   1HB   ASN  25           HB2      ASN  25  -8.756  -0.883   3.042
  162   2HB   ASN  25           HB1      ASN  25  -7.503  -2.004   3.574
  163   1HD2  ASN  25          HD21      ASN  25  -9.402  -2.772   5.026
  164   2HD2  ASN  25          HD22      ASN  25  -9.595  -1.988   6.519
  165    H    ALA  26           HN       ALA  26  -4.427   0.676   3.711
  166    HA   ALA  26           HA       ALA  26  -3.634  -1.394   1.712
  167   1HB   ALA  26           HB1      ALA  26  -1.922   0.411   0.937
  168   2HB   ALA  26           HB2      ALA  26  -3.025   1.556   1.698
  169   3HB   ALA  26           HB3      ALA  26  -3.588   0.539   0.373
  170    H    LYS  27           HN       LYS  27  -2.147  -2.694   2.660
  171    HA   LYS  27           HA       LYS  27  -0.515  -1.602   4.898
  172   1HB   LYS  27           HB2      LYS  27  -0.900  -4.471   3.985
  173   2HB   LYS  27           HB1      LYS  27  -0.034  -3.953   5.432
  174   1HG   LYS  27           HG2      LYS  27  -1.952  -3.793   6.598
  175   2HG   LYS  27           HG1      LYS  27  -2.675  -2.767   5.357
  176   1HD   LYS  27           HD2      LYS  27  -3.200  -4.798   4.020
  177   2HD   LYS  27           HD1      LYS  27  -2.548  -5.796   5.321
  178   1HE   LYS  27           HE2      LYS  27  -4.226  -4.900   6.875
  179   2HE   LYS  27           HE1      LYS  27  -4.866  -3.859   5.603
  180   1HZ   LYS  27           HZ1      LYS  27  -6.250  -5.638   5.410
  181   2HZ   LYS  27           HZ2      LYS  27  -5.083  -6.762   5.923
  182   3HZ   LYS  27           HZ3      LYS  27  -5.027  -6.135   4.345
  183    H    CYS  28           HN       CYS  28   1.604  -1.134   4.529
  184    HA   CYS  28           HA       CYS  28   2.761  -1.877   1.911
  185   1HB   CYS  28           HB2      CYS  28   3.031   0.439   2.590
  186   2HB   CYS  28           HB1      CYS  28   3.742  -0.054   4.126
  187    H    MET  29           HN       MET  29   3.751  -3.837   1.852
  188    HA   MET  29           HA       MET  29   5.463  -4.585   4.184
  189   1HB   MET  29           HB2      MET  29   3.229  -5.939   3.535
  190   2HB   MET  29           HB1      MET  29   4.361  -6.733   2.440
  191   1HG   MET  29           HG2      MET  29   5.797  -7.376   4.250
  192   2HG   MET  29           HG1      MET  29   4.925  -6.348   5.388
  193   1HE   MET  29           HE1      MET  29   4.142 -10.445   3.816
  194   2HE   MET  29           HE2      MET  29   5.306 -10.119   5.097
  195   3HE   MET  29           HE3      MET  29   5.452  -9.288   3.550
  196    H    ASN  30           HN       ASN  30   7.563  -4.899   3.655
  197    HA   ASN  30           HA       ASN  30   9.489  -4.935   2.305
  198   1HB   ASN  30           HB2      ASN  30   7.740  -7.011   0.960
  199   2HB   ASN  30           HB1      ASN  30   9.469  -6.821   0.664
  200   1HD2  ASN  30          HD21      ASN  30  10.123  -8.829   1.639
  201   2HD2  ASN  30          HD22      ASN  30   9.957  -9.132   3.301
  202    H    ARG  31           HN       ARG  31   8.751  -2.686   1.543
  203    HA   ARG  31           HA       ARG  31   8.217  -1.169  -0.198
  204   1HB   ARG  31           HB2      ARG  31   9.777  -2.944  -2.029
  205   2HB   ARG  31           HB1      ARG  31   9.898  -1.201  -1.785
  206   1HG   ARG  31           HG2      ARG  31  11.763  -1.731  -0.589
  207   2HG   ARG  31           HG1      ARG  31  10.613  -2.131   0.687
  208   1HD   ARG  31           HD2      ARG  31  10.809  -4.411   0.342
  209   2HD   ARG  31           HD1      ARG  31  11.220  -4.223  -1.363
  210    HE   ARG  31           HE       ARG  31  13.144  -3.667   0.861
  211   1HH1  ARG  31          HH11      ARG  31  13.038  -3.115  -2.355
  212   2HH1  ARG  31          HH12      ARG  31  14.339  -4.167  -2.803
  213   1HH2  ARG  31          HH21      ARG  31  14.523  -5.697   0.306
  214   2HH2  ARG  31          HH22      ARG  31  15.183  -5.628  -1.295
  215    H    LYS  32           HN       LYS  32   6.140  -3.123   0.054
  216    HA   LYS  32           HA       LYS  32   5.288  -3.244  -2.802
  217   1HB   LYS  32           HB2      LYS  32   4.937  -5.473  -0.773
  218   2HB   LYS  32           HB1      LYS  32   4.313  -5.474  -2.423
  219   1HG   LYS  32           HG2      LYS  32   7.113  -4.832  -2.481
  220   2HG   LYS  32           HG1      LYS  32   6.878  -6.309  -1.545
  221   1HD   LYS  32           HD2      LYS  32   6.028  -7.483  -3.342
  222   2HD   LYS  32           HD1      LYS  32   5.372  -6.036  -4.109
  223   1HE   LYS  32           HE2      LYS  32   8.283  -5.942  -3.885
  224   2HE   LYS  32           HE1      LYS  32   7.729  -7.328  -4.826
  225   1HZ   LYS  32           HZ1      LYS  32   7.813  -4.623  -5.579
  226   2HZ   LYS  32           HZ2      LYS  32   6.192  -5.131  -5.578
  227   3HZ   LYS  32           HZ3      LYS  32   7.345  -5.965  -6.505
  228    H    CYS  33           HN       CYS  33   3.320  -2.282  -3.035
  229    HA   CYS  33           HA       CYS  33   1.836  -1.431  -0.677
  230   1HB   CYS  33           HB2      CYS  33   1.341  -1.213  -3.651
  231   2HB   CYS  33           HB1      CYS  33   0.149  -0.677  -2.469
  232    H    LYS  34           HN       LYS  34   1.299  -3.472   0.303
  233    HA   LYS  34           HA       LYS  34  -0.417  -5.327  -1.226
  234   1HB   LYS  34           HB2      LYS  34   0.607  -5.391   1.630
  235   2HB   LYS  34           HB1      LYS  34  -0.364  -6.664   0.890
  236   1HG   LYS  34           HG2      LYS  34   2.077  -5.768  -0.576
  237   2HG   LYS  34           HG1      LYS  34   2.309  -6.755   0.867
  238   1HD   LYS  34           HD2      LYS  34   0.358  -7.545  -1.297
  239   2HD   LYS  34           HD1      LYS  34   2.057  -8.009  -1.366
  240   1HE   LYS  34           HE2      LYS  34   1.548  -8.756   1.156
  241   2HE   LYS  34           HE1      LYS  34  -0.081  -8.918   0.503
  242   1HZ   LYS  34           HZ1      LYS  34   2.392 -10.262  -0.417
  243   2HZ   LYS  34           HZ2      LYS  34   0.976 -10.216  -1.357
  244   3HZ   LYS  34           HZ3      LYS  34   0.967 -10.978   0.162
  245    H    CYS  35           HN       CYS  35  -2.181  -3.772  -1.507
  246    HA   CYS  35           HA       CYS  35  -3.674  -3.125   0.988
  247   1HB   CYS  35           HB2      CYS  35  -4.560  -2.144  -1.696
  248   2HB   CYS  35           HB1      CYS  35  -4.616  -1.333  -0.132
  249    H    PHE  36           HN       PHE  36  -6.149  -3.292   0.691
  250    HA   PHE  36           HA       PHE  36  -7.041  -5.379  -1.178
  251   1HB   PHE  36           HB2      PHE  36  -6.691  -5.860   1.766
  252   2HB   PHE  36           HB1      PHE  36  -8.018  -6.647   0.911
  253    HD1  PHE  36           HD1      PHE  36  -4.357  -6.382   1.228
  254    HD2  PHE  36           HD2      PHE  36  -7.600  -8.307  -0.830
  255    HE1  PHE  36           HE1      PHE  36  -2.783  -8.078   0.335
  256    HE2  PHE  36           HE2      PHE  36  -6.025 -10.004  -1.722
  257    HZ   PHE  36           HZ       PHE  36  -3.617  -9.889  -1.141
  258    H    GLY  37           HN       GLY  37  -7.781  -3.249   1.558
  259   1HA   GLY  37           HA2      GLY  37  -9.783  -2.167   2.145
  260   2HA   GLY  37           HA1      GLY  37 -10.000  -2.006   0.401
  261    H    ARG  38           HN       ARG  38 -10.292  -4.543   2.915
  262    HA   ARG  38           HA       ARG  38 -12.414  -5.858   1.351
  263   1HB   ARG  38           HB2      ARG  38 -11.478  -6.560   4.143
  264   2HB   ARG  38           HB1      ARG  38 -12.297  -7.608   2.983
  265   1HG   ARG  38           HG2      ARG  38  -9.776  -6.387   2.023
  266   2HG   ARG  38           HG1      ARG  38  -9.596  -7.565   3.324
  267   1HD   ARG  38           HD2      ARG  38 -11.107  -8.041   0.737
  268   2HD   ARG  38           HD1      ARG  38  -9.490  -8.647   1.096
  269    HE   ARG  38           HE       ARG  38 -11.833  -9.423   2.784
  270   1HH1  ARG  38          HH21      ARG  38 -11.483 -11.148   0.399
  271   2HH1  ARG  38          HH22      ARG  38 -10.411 -12.381   0.974
  272   1HH2  ARG  38          HH11      ARG  38  -9.386 -10.571   3.748
  273   2HH2  ARG  38          HH12      ARG  38  -9.224 -12.054   2.870
  Start of MODEL    7
    1   1H    THR   4           HT1      THR   4   6.266  -3.541  -5.773
    2   2H    THR   4           HT2      THR   4   7.492  -2.622  -6.509
    3   3H    THR   4           HT3      THR   4   6.536  -3.671  -7.442
    4    HA   THR   4           HA       THR   4   5.426  -1.791  -7.939
    5    HB   THR   4           HB       THR   4   4.217  -1.900  -5.205
    6    HG1  THR   4           HG1      THR   4   3.958  -3.954  -7.140
    7   1HG2  THR   4          HG21      THR   4   2.667  -0.799  -6.409
    8   2HG2  THR   4          HG22      THR   4   2.328  -2.328  -7.220
    9   3HG2  THR   4          HG23      THR   4   3.479  -1.192  -7.925
   10    H    ILE   5           HN       ILE   5   4.290   0.063  -5.887
   11    HA   ILE   5           HA       ILE   5   6.247   2.092  -5.987
   12    HB   ILE   5           HB       ILE   5   4.813   2.953  -3.934
   13   1HG1  ILE   5          HG12      ILE   5   2.875   1.012  -5.183
   14   2HG1  ILE   5          HG11      ILE   5   3.775   0.617  -3.716
   15   1HG2  ILE   5          HG21      ILE   5   3.036   3.634  -5.639
   16   2HG2  ILE   5          HG22      ILE   5   3.946   2.671  -6.804
   17   3HG2  ILE   5          HG23      ILE   5   4.702   4.063  -6.028
   18   1HD1  ILE   5          HD11      ILE   5   1.979   3.033  -4.077
   19   2HD1  ILE   5          HD12      ILE   5   2.863   2.618  -2.609
   20   3HD1  ILE   5          HD13      ILE   5   1.561   1.575  -3.178
   21    H    SER   6           HN       SER   6   7.858   2.706  -4.572
   22    HA   SER   6           HA       SER   6   8.731   0.711  -2.614
   23   1HB   SER   6           HB2      SER   6   9.959   3.441  -2.918
   24   2HB   SER   6           HB1      SER   6  10.740   1.919  -2.500
   25    HG   SER   6           HG       SER   6  11.215   2.032  -4.576
   26    H    CYS   7           HN       CYS   7   7.459   0.693  -0.782
   27    HA   CYS   7           HA       CYS   7   7.017   3.330   0.562
   28   1HB   CYS   7           HB2      CYS   7   4.957   2.480   1.454
   29   2HB   CYS   7           HB1      CYS   7   4.953   2.104  -0.269
   30    H    THR   8           HN       THR   8   7.595   3.497   2.712
   31    HA   THR   8           HA       THR   8   8.894   1.089   3.920
   32    HB   THR   8           HB       THR   8  10.522   2.835   3.670
   33    HG1  THR   8           HG1      THR   8  10.862   2.090   5.642
   34   1HG2  THR   8          HG21      THR   8   9.295   4.780   3.218
   35   2HG2  THR   8          HG22      THR   8   9.956   5.105   4.821
   36   3HG2  THR   8          HG23      THR   8   8.281   4.584   4.647
   37    H    ASN   9           HN       ASN   9   6.100   2.831   4.002
   38    HA   ASN   9           HA       ASN   9   5.461   1.869   6.718
   39   1HB   ASN   9           HB2      ASN   9   5.767   4.722   5.964
   40   2HB   ASN   9           HB1      ASN   9   4.299   4.328   6.858
   41   1HD2  ASN   9          HD21      ASN   9   6.324   5.913   8.072
   42   2HD2  ASN   9          HD22      ASN   9   7.047   5.018   9.320
   43    H    GLU  10           HN       GLU  10   3.074   1.910   7.064
   44    HA   GLU  10           HA       GLU  10   1.647   1.066   4.729
   45   1HB   GLU  10           HB2      GLU  10  -0.314   0.993   6.168
   46   2HB   GLU  10           HB1      GLU  10   1.076   0.391   7.071
   47   1HG   GLU  10           HG2      GLU  10   1.364   2.603   8.121
   48   2HG   GLU  10           HG1      GLU  10  -0.018   3.217   7.213
   49    H    LYS  11           HN       LYS  11   1.750   4.158   6.467
   50    HA   LYS  11           HA       LYS  11  -0.366   5.495   5.184
   51   1HB   LYS  11           HB2      LYS  11   0.752   6.608   6.979
   52   2HB   LYS  11           HB1      LYS  11   2.314   6.496   6.168
   53   1HG   LYS  11           HG2      LYS  11   1.919   8.338   4.905
   54   2HG   LYS  11           HG1      LYS  11   0.253   7.864   4.576
   55   1HD   LYS  11           HD2      LYS  11   1.057   8.856   7.305
   56   2HD   LYS  11           HD1      LYS  11   0.657   9.991   6.016
   57   1HE   LYS  11           HE2      LYS  11  -1.559   9.188   5.838
   58   2HE   LYS  11           HE1      LYS  11  -1.182   7.702   6.711
   59   1HZ   LYS  11           HZ1      LYS  11  -0.568   9.971   8.291
   60   2HZ   LYS  11           HZ2      LYS  11  -1.636   8.691   8.624
   61   3HZ   LYS  11           HZ3      LYS  11  -2.178  10.052   7.764
   62    H    GLN  12           HN       GLN  12   2.763   4.572   3.922
   63    HA   GLN  12           HA       GLN  12   2.824   6.379   1.692
   64   1HB   GLN  12           HB2      GLN  12   4.243   3.915   2.511
   65   2HB   GLN  12           HB1      GLN  12   4.181   4.203   0.771
   66   1HG   GLN  12           HG2      GLN  12   6.090   5.403   1.348
   67   2HG   GLN  12           HG1      GLN  12   4.856   6.659   1.460
   68   1HE2  GLN  12          HE21      GLN  12   4.000   7.136   3.686
   69   2HE2  GLN  12          HE22      GLN  12   4.985   6.832   5.035
   70    H    CYS  13           HN       CYS  13   1.559   3.055   2.039
   71    HA   CYS  13           HA       CYS  13   0.532   3.133  -0.725
   72   1HB   CYS  13           HB2      CYS  13  -0.214   0.985   1.229
   73   2HB   CYS  13           HB1      CYS  13   0.100   0.859  -0.498
   74    H    TYR  14           HN       TYR  14  -0.475   4.555   2.025
   75    HA   TYR  14           HA       TYR  14  -3.237   3.765   2.199
   76   1HB   TYR  14           HB2      TYR  14  -1.523   5.878   3.322
   77   2HB   TYR  14           HB1      TYR  14  -3.211   6.348   3.121
   78    HD1  TYR  14           HD1      TYR  14  -4.142   6.251   5.284
   79    HD2  TYR  14           HD2      TYR  14  -1.748   2.985   3.849
   80    HE1  TYR  14           HE1      TYR  14  -4.758   4.921   7.284
   81    HE2  TYR  14           HE2      TYR  14  -2.364   1.655   5.850
   82    HH   TYR  14           HH       TYR  14  -4.850   2.677   8.041
   83    HA   PRO  15           HA       PRO  15  -4.100   7.601  -0.530
   84   1HB   PRO  15           HB2      PRO  15  -1.940   8.806  -1.728
   85   2HB   PRO  15           HB1      PRO  15  -2.568   9.279  -0.139
   86   1HG   PRO  15           HG2      PRO  15  -0.117   7.703  -0.800
   87   2HG   PRO  15           HG1      PRO  15  -0.436   8.747   0.594
   88   1HD   PRO  15           HD2      PRO  15  -0.537   5.938   0.598
   89   2HD   PRO  15           HD1      PRO  15  -1.229   6.995   1.848
   90    H    HIS  16           HN       HIS  16  -1.238   5.809  -1.662
   91    HA   HIS  16           HA       HIS  16  -2.008   5.826  -4.431
   92   1HB   HIS  16           HB2      HIS  16   0.216   5.327  -4.312
   93   2HB   HIS  16           HB1      HIS  16   0.060   4.543  -2.746
   94    HD1  HIS  16           HD1      HIS  16   0.383   3.834  -6.330
   95    HD2  HIS  16           HD2      HIS  16  -0.941   1.791  -2.951
   96    HE1  HIS  16           HE1      HIS  16   0.342   1.380  -6.952
   97    H    CYS  17           HN       CYS  17  -3.011   3.907  -1.704
   98    HA   CYS  17           HA       CYS  17  -4.048   1.709  -3.343
   99   1HB   CYS  17           HB2      CYS  17  -4.016   2.401  -0.452
  100   2HB   CYS  17           HB1      CYS  17  -5.370   1.421  -1.002
  101    H    LYS  18           HN       LYS  18  -5.620   4.202  -1.294
  102    HA   LYS  18           HA       LYS  18  -8.261   3.765  -2.142
  103   1HB   LYS  18           HB2      LYS  18  -7.648   5.313  -0.316
  104   2HB   LYS  18           HB1      LYS  18  -6.968   6.432  -1.498
  105   1HG   LYS  18           HG2      LYS  18  -9.043   7.356  -1.518
  106   2HG   LYS  18           HG1      LYS  18  -9.472   5.979  -2.533
  107   1HD   LYS  18           HD2      LYS  18 -10.710   5.016  -0.898
  108   2HD   LYS  18           HD1      LYS  18  -9.503   5.367   0.340
  109   1HE   LYS  18           HE2      LYS  18 -10.824   7.023   1.094
  110   2HE   LYS  18           HE1      LYS  18 -10.583   7.862  -0.439
  111   1HZ   LYS  18           HZ1      LYS  18 -12.686   7.471  -0.948
  112   2HZ   LYS  18           HZ2      LYS  18 -12.920   6.678   0.536
  113   3HZ   LYS  18           HZ3      LYS  18 -12.434   5.798  -0.833
  114    H    LYS  19           HN       LYS  19  -5.675   5.561  -3.751
  115    HA   LYS  19           HA       LYS  19  -7.438   6.607  -5.825
  116   1HB   LYS  19           HB2      LYS  19  -5.011   7.384  -4.971
  117   2HB   LYS  19           HB1      LYS  19  -4.508   6.353  -6.311
  118   1HG   LYS  19           HG2      LYS  19  -6.197   7.610  -7.748
  119   2HG   LYS  19           HG1      LYS  19  -6.337   8.760  -6.417
  120   1HD   LYS  19           HD2      LYS  19  -3.853   9.090  -6.516
  121   2HD   LYS  19           HD1      LYS  19  -3.817   8.066  -7.951
  122   1HE   LYS  19           HE2      LYS  19  -4.620   9.714  -9.281
  123   2HE   LYS  19           HE1      LYS  19  -5.839  10.186  -8.098
  124   1HZ   LYS  19           HZ1      LYS  19  -4.480  11.703  -7.161
  125   2HZ   LYS  19           HZ2      LYS  19  -3.759  11.699  -8.700
  126   3HZ   LYS  19           HZ3      LYS  19  -3.072  10.797  -7.434
  127    H    GLU  20           HN       GLU  20  -5.418   3.762  -5.396
  128    HA   GLU  20           HA       GLU  20  -5.395   2.933  -8.148
  129   1HB   GLU  20           HB2      GLU  20  -3.982   2.086  -6.121
  130   2HB   GLU  20           HB1      GLU  20  -5.339   0.991  -5.851
  131   1HG   GLU  20           HG2      GLU  20  -4.287   1.198  -8.633
  132   2HG   GLU  20           HG1      GLU  20  -3.298   0.335  -7.457
  133    H    THR  21           HN       THR  21  -7.603   2.230  -5.442
  134    HA   THR  21           HA       THR  21  -9.589   1.301  -7.455
  135    HB   THR  21           HB       THR  21  -8.628  -0.745  -6.579
  136    HG1  THR  21           HG1      THR  21 -10.526  -1.568  -6.218
  137   1HG2  THR  21          HG21      THR  21  -8.018  -1.070  -4.402
  138   2HG2  THR  21          HG22      THR  21  -9.407  -0.182  -3.774
  139   3HG2  THR  21          HG23      THR  21  -7.998   0.694  -4.372
  140    H    GLY  22           HN       GLY  22  -8.937   2.450  -4.163
  141   1HA   GLY  22           HA2      GLY  22 -10.480   4.416  -3.580
  142   2HA   GLY  22           HA1      GLY  22 -11.793   3.321  -4.005
  143    H    TYR  23           HN       TYR  23  -8.979   2.057  -2.364
  144    HA   TYR  23           HA       TYR  23 -10.586   1.920   0.150
  145   1HB   TYR  23           HB2      TYR  23  -8.956  -0.204  -1.236
  146   2HB   TYR  23           HB1      TYR  23  -9.279  -0.293   0.495
  147    HD1  TYR  23           HD1      TYR  23 -11.898   0.414   1.025
  148    HD2  TYR  23           HD2      TYR  23 -10.411  -1.450  -2.547
  149    HE1  TYR  23           HE1      TYR  23 -14.156  -0.497   0.560
  150    HE2  TYR  23           HE2      TYR  23 -12.668  -2.361  -3.013
  151    HH   TYR  23           HH       TYR  23 -14.729  -2.686  -2.172
  152    HA   PRO  24           HA       PRO  24  -6.889   3.842   1.719
  153   1HB   PRO  24           HB2      PRO  24  -7.776   4.046   4.313
  154   2HB   PRO  24           HB1      PRO  24  -8.273   5.150   3.020
  155   1HG   PRO  24           HG2      PRO  24  -9.820   2.950   4.307
  156   2HG   PRO  24           HG1      PRO  24 -10.409   4.418   3.509
  157   1HD   PRO  24           HD2      PRO  24 -10.367   1.815   2.388
  158   2HD   PRO  24           HD1      PRO  24 -10.655   3.330   1.507
  159    H    ASN  25           HN       ASN  25  -8.439   1.099   3.390
  160    HA   ASN  25           HA       ASN  25  -6.325   0.343   5.092
  161   1HB   ASN  25           HB2      ASN  25  -8.507  -1.180   3.697
  162   2HB   ASN  25           HB1      ASN  25  -7.264  -2.063   4.583
  163   1HD2  ASN  25          HD21      ASN  25  -9.935  -2.127   5.514
  164   2HD2  ASN  25          HD22      ASN  25 -10.041  -1.249   6.964
  165    H    ALA  26           HN       ALA  26  -4.233  -0.008   4.503
  166    HA   ALA  26           HA       ALA  26  -3.687  -1.818   2.234
  167   1HB   ALA  26           HB1      ALA  26  -2.125  -0.270   1.165
  168   2HB   ALA  26           HB2      ALA  26  -2.460   0.952   2.393
  169   3HB   ALA  26           HB3      ALA  26  -3.721   0.474   1.255
  170    H    LYS  27           HN       LYS  27  -1.559  -2.746   2.353
  171    HA   LYS  27           HA       LYS  27  -0.204  -2.278   4.979
  172   1HB   LYS  27           HB2      LYS  27  -0.938  -4.751   3.513
  173   2HB   LYS  27           HB1      LYS  27   0.667  -4.745   4.245
  174   1HG   LYS  27           HG2      LYS  27  -1.216  -5.598   5.737
  175   2HG   LYS  27           HG1      LYS  27  -0.226  -4.309   6.423
  176   1HD   LYS  27           HD2      LYS  27  -1.889  -2.651   5.927
  177   2HD   LYS  27           HD1      LYS  27  -2.816  -3.787   4.946
  178   1HE   LYS  27           HE2      LYS  27  -3.733  -4.828   6.770
  179   2HE   LYS  27           HE1      LYS  27  -2.288  -4.600   7.755
  180   1HZ   LYS  27           HZ1      LYS  27  -3.658  -2.165   7.009
  181   2HZ   LYS  27           HZ2      LYS  27  -3.006  -2.633   8.507
  182   3HZ   LYS  27           HZ3      LYS  27  -4.542  -3.185   8.036
  183    H    CYS  28           HN       CYS  28   1.968  -1.800   4.910
  184    HA   CYS  28           HA       CYS  28   3.199  -1.660   2.196
  185   1HB   CYS  28           HB2      CYS  28   3.147   0.486   3.304
  186   2HB   CYS  28           HB1      CYS  28   3.827  -0.204   4.778
  187    H    MET  29           HN       MET  29   4.919  -2.950   1.736
  188    HA   MET  29           HA       MET  29   6.379  -4.229   4.006
  189   1HB   MET  29           HB2      MET  29   4.866  -5.515   1.807
  190   2HB   MET  29           HB1      MET  29   6.475  -6.175   2.097
  191   1HG   MET  29           HG2      MET  29   4.649  -5.671   4.427
  192   2HG   MET  29           HG1      MET  29   4.427  -7.122   3.446
  193   1HE   MET  29           HE1      MET  29   6.387  -7.490   6.986
  194   2HE   MET  29           HE2      MET  29   4.930  -6.725   6.358
  195   3HE   MET  29           HE3      MET  29   6.397  -5.773   6.566
  196    H    ASN  30           HN       ASN  30   8.272  -5.619   2.584
  197    HA   ASN  30           HA       ASN  30  10.175  -3.697   1.853
  198   1HB   ASN  30           HB2      ASN  30  10.087  -6.481   1.939
  199   2HB   ASN  30           HB1      ASN  30  10.422  -6.126   0.245
  200   1HD2  ASN  30          HD21      ASN  30  12.214  -7.110   2.586
  201   2HD2  ASN  30          HD22      ASN  30  13.551  -6.065   2.527
  202    H    ARG  31           HN       ARG  31   9.304  -2.088   0.480
  203    HA   ARG  31           HA       ARG  31   8.520  -1.148  -1.535
  204   1HB   ARG  31           HB2      ARG  31  10.058  -3.435  -2.790
  205   2HB   ARG  31           HB1      ARG  31   9.751  -1.840  -3.478
  206   1HG   ARG  31           HG2      ARG  31  11.001  -1.488  -0.928
  207   2HG   ARG  31           HG1      ARG  31  11.948  -2.655  -1.850
  208   1HD   ARG  31           HD2      ARG  31  10.991  -0.114  -3.150
  209   2HD   ARG  31           HD1      ARG  31  12.453  -0.113  -2.163
  210    HE   ARG  31           HE       ARG  31  12.670  -2.267  -3.992
  211   1HH1  ARG  31          HH11      ARG  31  13.539   0.934  -3.473
  212   2HH1  ARG  31          HH12      ARG  31  14.001   1.259  -5.110
  213   1HH2  ARG  31          HH21      ARG  31  12.809  -1.761  -6.326
  214   2HH2  ARG  31          HH22      ARG  31  13.589  -0.267  -6.725
  215    H    LYS  32           HN       LYS  32   6.533  -2.661  -0.447
  216    HA   LYS  32           HA       LYS  32   5.249  -3.783  -2.865
  217   1HB   LYS  32           HB2      LYS  32   6.005  -5.342  -0.430
  218   2HB   LYS  32           HB1      LYS  32   4.453  -5.701  -1.188
  219   1HG   LYS  32           HG2      LYS  32   5.547  -6.097  -3.334
  220   2HG   LYS  32           HG1      LYS  32   7.108  -5.636  -2.652
  221   1HD   LYS  32           HD2      LYS  32   7.316  -7.890  -2.328
  222   2HD   LYS  32           HD1      LYS  32   6.372  -7.549  -0.879
  223   1HE   LYS  32           HE2      LYS  32   5.030  -9.192  -1.761
  224   2HE   LYS  32           HE1      LYS  32   4.353  -7.819  -2.636
  225   1HZ   LYS  32           HZ1      LYS  32   5.788 -10.057  -3.639
  226   2HZ   LYS  32           HZ2      LYS  32   6.547  -8.605  -4.090
  227   3HZ   LYS  32           HZ3      LYS  32   4.917  -8.874  -4.487
  228    H    CYS  33           HN       CYS  33   3.530  -2.385  -2.900
  229    HA   CYS  33           HA       CYS  33   2.079  -1.872  -0.345
  230   1HB   CYS  33           HB2      CYS  33   2.160  -0.452  -3.010
  231   2HB   CYS  33           HB1      CYS  33   0.872  -0.143  -1.847
  232    H    LYS  34           HN       LYS  34   0.373  -3.224  -0.013
  233    HA   LYS  34           HA       LYS  34  -1.161  -4.121  -2.420
  234   1HB   LYS  34           HB2      LYS  34  -0.547  -5.607   0.147
  235   2HB   LYS  34           HB1      LYS  34  -1.728  -6.159  -1.041
  236   1HG   LYS  34           HG2      LYS  34   0.196  -5.920  -2.761
  237   2HG   LYS  34           HG1      LYS  34   1.257  -5.889  -1.351
  238   1HD   LYS  34           HD2      LYS  34   1.212  -8.153  -1.511
  239   2HD   LYS  34           HD1      LYS  34  -0.385  -8.017  -0.775
  240   1HE   LYS  34           HE2      LYS  34  -1.232  -8.966  -2.635
  241   2HE   LYS  34           HE1      LYS  34  -0.797  -7.492  -3.502
  242   1HZ   LYS  34           HZ1      LYS  34   0.138  -9.599  -4.433
  243   2HZ   LYS  34           HZ2      LYS  34   1.103  -9.718  -3.039
  244   3HZ   LYS  34           HZ3      LYS  34   1.286  -8.397  -4.092
  245    H    CYS  35           HN       CYS  35  -3.280  -3.539  -2.410
  246    HA   CYS  35           HA       CYS  35  -4.369  -2.272   0.035
  247   1HB   CYS  35           HB2      CYS  35  -5.815  -2.539  -2.599
  248   2HB   CYS  35           HB1      CYS  35  -6.011  -1.300  -1.360
  249    H    PHE  36           HN       PHE  36  -6.228  -3.073   1.097
  250    HA   PHE  36           HA       PHE  36  -6.701  -5.952   0.711
  251   1HB   PHE  36           HB2      PHE  36  -7.180  -3.963   2.836
  252   2HB   PHE  36           HB1      PHE  36  -8.452  -5.175   2.671
  253    HD1  PHE  36           HD1      PHE  36  -4.938  -4.577   3.541
  254    HD2  PHE  36           HD2      PHE  36  -7.953  -7.576   2.930
  255    HE1  PHE  36           HE1      PHE  36  -3.505  -6.252   4.679
  256    HE2  PHE  36           HE2      PHE  36  -6.520  -9.249   4.067
  257    HZ   PHE  36           HZ       PHE  36  -4.296  -8.587   4.941
  258    H    GLY  37           HN       GLY  37  -8.888  -3.125   1.039
  259   1HA   GLY  37           HA2      GLY  37 -10.932  -2.685  -0.027
  260   2HA   GLY  37           HA1      GLY  37 -10.376  -3.735  -1.332
  261    H    ARG  38           HN       ARG  38 -11.165  -4.307   2.111
  262    HA   ARG  38           HA       ARG  38 -12.359  -6.878   1.512
  263   1HB   ARG  38           HB2      ARG  38 -11.294  -6.274   3.710
  264   2HB   ARG  38           HB1      ARG  38 -12.669  -5.214   4.028
  265   1HG   ARG  38           HG2      ARG  38 -13.396  -7.160   5.063
  266   2HG   ARG  38           HG1      ARG  38 -14.064  -7.389   3.447
  267   1HD   ARG  38           HD2      ARG  38 -12.895  -9.305   3.292
  268   2HD   ARG  38           HD1      ARG  38 -11.412  -8.353   3.334
  269    HE   ARG  38           HE       ARG  38 -11.081  -9.350   5.437
  270   1HH1  ARG  38          HH21      ARG  38 -13.344 -11.205   5.432
  271   2HH1  ARG  38          HH22      ARG  38 -14.326 -10.647   6.745
  272   1HH2  ARG  38          HH11      ARG  38 -12.808  -7.533   6.903
  273   2HH2  ARG  38          HH12      ARG  38 -14.024  -8.567   7.576
  Start of MODEL    8
    1   1H    THR   4           HT1      THR   4   7.024  -3.113  -9.480
    2   2H    THR   4           HT2      THR   4   5.839  -4.308  -9.244
    3   3H    THR   4           HT3      THR   4   6.783  -3.773  -7.936
    4    HA   THR   4           HA       THR   4   4.876  -2.074  -9.451
    5    HB   THR   4           HB       THR   4   4.431  -2.818  -6.603
    6    HG1  THR   4           HG1      THR   4   3.468  -4.558  -8.557
    7   1HG2  THR   4          HG21      THR   4   3.017  -1.626  -8.779
    8   2HG2  THR   4          HG22      THR   4   2.473  -1.845  -7.115
    9   3HG2  THR   4          HG23      THR   4   2.165  -3.099  -8.316
   10    H    ILE   5           HN       ILE   5   4.301  -0.785  -6.854
   11    HA   ILE   5           HA       ILE   5   6.289   1.277  -6.948
   12    HB   ILE   5           HB       ILE   5   3.803   1.239  -6.039
   13   1HG1  ILE   5          HG12      ILE   5   5.390   3.022  -4.338
   14   2HG1  ILE   5          HG11      ILE   5   5.862   3.062  -6.039
   15   1HG2  ILE   5          HG21      ILE   5   4.962   1.365  -3.348
   16   2HG2  ILE   5          HG22      ILE   5   4.958  -0.252  -4.049
   17   3HG2  ILE   5          HG23      ILE   5   3.448   0.643  -3.890
   18   1HD1  ILE   5          HD11      ILE   5   4.037   4.696  -5.448
   19   2HD1  ILE   5          HD12      ILE   5   3.000   3.318  -5.084
   20   3HD1  ILE   5          HD13      ILE   5   3.598   3.561  -6.725
   21    H    SER   6           HN       SER   6   6.641   1.668  -4.115
   22    HA   SER   6           HA       SER   6   8.011  -0.589  -2.942
   23   1HB   SER   6           HB2      SER   6  10.263   0.902  -3.069
   24   2HB   SER   6           HB1      SER   6   9.892  -0.361  -4.238
   25    HG   SER   6           HG       SER   6   9.883   1.168  -5.666
   26    H    CYS   7           HN       CYS   7   6.993  -0.027  -1.020
   27    HA   CYS   7           HA       CYS   7   7.654   2.679   0.078
   28   1HB   CYS   7           HB2      CYS   7   5.564   2.563   1.336
   29   2HB   CYS   7           HB1      CYS   7   5.226   2.301  -0.377
   30    H    THR   8           HN       THR   8   7.263   2.511   2.633
   31    HA   THR   8           HA       THR   8   8.576   0.032   3.647
   32    HB   THR   8           HB       THR   8  10.232   1.207   4.783
   33    HG1  THR   8           HG1      THR   8   9.842   3.644   4.927
   34   1HG2  THR   8          HG21      THR   8  11.250   2.749   3.248
   35   2HG2  THR   8          HG22      THR   8   9.693   3.142   2.520
   36   3HG2  THR   8          HG23      THR   8  10.403   1.545   2.276
   37    H    ASN   9           HN       ASN   9   6.966   3.077   4.598
   38    HA   ASN   9           HA       ASN   9   5.874   1.762   7.009
   39   1HB   ASN   9           HB2      ASN   9   5.241   4.562   6.068
   40   2HB   ASN   9           HB1      ASN   9   5.218   3.927   7.714
   41   1HD2  ASN   9          HD21      ASN   9   6.871   6.174   6.323
   42   2HD2  ASN   9          HD22      ASN   9   8.468   5.820   6.776
   43    H    GLU  10           HN       GLU  10   3.532   1.748   7.393
   44    HA   GLU  10           HA       GLU  10   2.039   0.773   5.157
   45   1HB   GLU  10           HB2      GLU  10   1.390   0.026   7.324
   46   2HB   GLU  10           HB1      GLU  10   1.232   1.676   7.925
   47   1HG   GLU  10           HG2      GLU  10  -0.657   2.056   6.378
   48   2HG   GLU  10           HG1      GLU  10  -0.506   0.400   5.791
   49    H    LYS  11           HN       LYS  11   1.979   3.939   6.810
   50    HA   LYS  11           HA       LYS  11  -0.187   5.029   5.300
   51   1HB   LYS  11           HB2      LYS  11   0.927   5.957   7.429
   52   2HB   LYS  11           HB1      LYS  11   2.129   6.658   6.345
   53   1HG   LYS  11           HG2      LYS  11   0.020   7.543   5.042
   54   2HG   LYS  11           HG1      LYS  11  -0.796   7.289   6.585
   55   1HD   LYS  11           HD2      LYS  11   1.735   8.920   6.228
   56   2HD   LYS  11           HD1      LYS  11   0.112   9.600   6.359
   57   1HE   LYS  11           HE2      LYS  11   1.083   7.700   8.470
   58   2HE   LYS  11           HE1      LYS  11   1.612   9.381   8.513
   59   1HZ   LYS  11           HZ1      LYS  11  -0.303   9.615   9.654
   60   2HZ   LYS  11           HZ2      LYS  11  -1.035   8.251   8.955
   61   3HZ   LYS  11           HZ3      LYS  11  -0.979   9.720   8.103
   62    H    GLN  12           HN       GLN  12   3.007   4.274   4.343
   63    HA   GLN  12           HA       GLN  12   3.408   6.332   2.376
   64   1HB   GLN  12           HB2      GLN  12   4.510   3.535   2.690
   65   2HB   GLN  12           HB1      GLN  12   4.983   4.587   1.356
   66   1HG   GLN  12           HG2      GLN  12   5.084   6.001   3.891
   67   2HG   GLN  12           HG1      GLN  12   6.097   4.560   3.924
   68   1HE2  GLN  12          HE21      GLN  12   7.446   6.965   3.984
   69   2HE2  GLN  12          HE22      GLN  12   8.177   7.281   2.486
   70    H    CYS  13           HN       CYS  13   1.084   3.896   2.485
   71    HA   CYS  13           HA       CYS  13   0.691   4.153  -0.462
   72   1HB   CYS  13           HB2      CYS  13   1.365   1.760   0.961
   73   2HB   CYS  13           HB1      CYS  13  -0.282   1.605   0.348
   74    H    TYR  14           HN       TYR  14  -0.585   5.382   1.994
   75    HA   TYR  14           HA       TYR  14  -3.217   4.223   2.258
   76   1HB   TYR  14           HB2      TYR  14  -1.818   6.636   3.203
   77   2HB   TYR  14           HB1      TYR  14  -3.547   6.862   2.946
   78    HD1  TYR  14           HD1      TYR  14  -1.967   3.632   3.850
   79    HD2  TYR  14           HD2      TYR  14  -4.209   7.016   5.254
   80    HE1  TYR  14           HE1      TYR  14  -2.445   2.437   5.970
   81    HE2  TYR  14           HE2      TYR  14  -4.685   5.822   7.375
   82    HH   TYR  14           HH       TYR  14  -3.493   3.901   8.710
   83    HA   PRO  15           HA       PRO  15  -4.532   7.665  -0.796
   84   1HB   PRO  15           HB2      PRO  15  -2.532   9.069  -2.054
   85   2HB   PRO  15           HB1      PRO  15  -3.273   9.572  -0.524
   86   1HG   PRO  15           HG2      PRO  15  -0.600   8.328  -1.001
   87   2HG   PRO  15           HG1      PRO  15  -1.114   9.419   0.296
   88   1HD   PRO  15           HD2      PRO  15  -0.805   6.635   0.531
   89   2HD   PRO  15           HD1      PRO  15  -1.685   7.674   1.672
   90    H    HIS  16           HN       HIS  16  -1.378   6.311  -1.832
   91    HA   HIS  16           HA       HIS  16  -1.984   6.020  -4.571
   92   1HB   HIS  16           HB2      HIS  16   0.200   5.432  -4.342
   93   2HB   HIS  16           HB1      HIS  16  -0.028   4.903  -2.680
   94    HD1  HIS  16           HD1      HIS  16   0.534   3.624  -6.046
   95    HD2  HIS  16           HD2      HIS  16  -1.216   2.173  -2.554
   96    HE1  HIS  16           HE1      HIS  16   0.391   1.110  -6.311
   97    H    CYS  17           HN       CYS  17  -2.598   3.754  -1.875
   98    HA   CYS  17           HA       CYS  17  -3.931   1.827  -3.596
   99   1HB   CYS  17           HB2      CYS  17  -3.515   2.158  -0.655
  100   2HB   CYS  17           HB1      CYS  17  -4.823   1.103  -1.190
  101    H    LYS  18           HN       LYS  18  -4.918   4.687  -1.853
  102    HA   LYS  18           HA       LYS  18  -7.709   4.123  -1.627
  103   1HB   LYS  18           HB2      LYS  18  -6.753   6.004  -0.436
  104   2HB   LYS  18           HB1      LYS  18  -6.247   6.758  -1.949
  105   1HG   LYS  18           HG2      LYS  18  -9.077   6.133  -2.017
  106   2HG   LYS  18           HG1      LYS  18  -8.695   7.137  -0.619
  107   1HD   LYS  18           HD2      LYS  18  -7.784   8.861  -1.962
  108   2HD   LYS  18           HD1      LYS  18  -7.641   7.806  -3.367
  109   1HE   LYS  18           HE2      LYS  18  -9.556   9.348  -3.612
  110   2HE   LYS  18           HE1      LYS  18 -10.098   7.672  -3.524
  111   1HZ   LYS  18           HZ1      LYS  18  -9.939   9.418  -1.140
  112   2HZ   LYS  18           HZ2      LYS  18 -10.756   7.937  -1.301
  113   3HZ   LYS  18           HZ3      LYS  18 -11.333   9.320  -2.101
  114    H    LYS  19           HN       LYS  19  -5.954   5.956  -4.157
  115    HA   LYS  19           HA       LYS  19  -8.342   6.004  -5.857
  116   1HB   LYS  19           HB2      LYS  19  -6.902   7.162  -7.468
  117   2HB   LYS  19           HB1      LYS  19  -6.691   7.867  -5.866
  118   1HG   LYS  19           HG2      LYS  19  -4.723   6.266  -5.570
  119   2HG   LYS  19           HG1      LYS  19  -4.854   5.942  -7.298
  120   1HD   LYS  19           HD2      LYS  19  -4.488   8.285  -7.821
  121   2HD   LYS  19           HD1      LYS  19  -4.518   8.710  -6.110
  122   1HE   LYS  19           HE2      LYS  19  -2.300   8.347  -6.030
  123   2HE   LYS  19           HE1      LYS  19  -2.609   6.643  -6.370
  124   1HZ   LYS  19           HZ1      LYS  19  -2.210   8.796  -8.376
  125   2HZ   LYS  19           HZ2      LYS  19  -2.614   7.189  -8.746
  126   3HZ   LYS  19           HZ3      LYS  19  -1.124   7.545  -8.012
  127    H    GLU  20           HN       GLU  20  -5.739   3.845  -5.298
  128    HA   GLU  20           HA       GLU  20  -5.563   2.691  -7.939
  129   1HB   GLU  20           HB2      GLU  20  -3.817   2.449  -6.156
  130   2HB   GLU  20           HB1      GLU  20  -4.919   1.383  -5.281
  131   1HG   GLU  20           HG2      GLU  20  -4.093  -0.320  -6.502
  132   2HG   GLU  20           HG1      GLU  20  -4.893   0.391  -7.904
  133    H    THR  21           HN       THR  21  -7.592   2.028  -5.112
  134    HA   THR  21           HA       THR  21  -9.233   0.269  -6.861
  135    HB   THR  21           HB       THR  21  -7.777  -1.227  -5.555
  136    HG1  THR  21           HG1      THR  21  -9.665  -2.192  -5.790
  137   1HG2  THR  21          HG21      THR  21  -8.399   0.690  -3.473
  138   2HG2  THR  21          HG22      THR  21  -7.146  -0.549  -3.506
  139   3HG2  THR  21          HG23      THR  21  -8.768  -0.951  -2.942
  140    H    GLY  22           HN       GLY  22  -9.205   2.978  -5.181
  141   1HA   GLY  22           HA2      GLY  22 -11.093   4.294  -4.569
  142   2HA   GLY  22           HA1      GLY  22 -12.087   2.839  -4.617
  143    H    TYR  23           HN       TYR  23 -10.028   1.432  -2.863
  144    HA   TYR  23           HA       TYR  23 -10.976   2.645  -0.305
  145   1HB   TYR  23           HB2      TYR  23  -9.906  -0.158  -0.560
  146   2HB   TYR  23           HB1      TYR  23 -11.038   0.493   0.626
  147    HD1  TYR  23           HD1      TYR  23 -10.859  -1.600  -2.119
  148    HD2  TYR  23           HD2      TYR  23 -13.182   1.690  -0.628
  149    HE1  TYR  23           HE1      TYR  23 -12.764  -2.298  -3.545
  150    HE2  TYR  23           HE2      TYR  23 -15.087   0.991  -2.054
  151    HH   TYR  23           HH       TYR  23 -14.799  -1.782  -4.272
  152    HA   PRO  24           HA       PRO  24  -6.736   3.537   0.577
  153   1HB   PRO  24           HB2      PRO  24  -7.094   4.217   3.213
  154   2HB   PRO  24           HB1      PRO  24  -7.536   5.275   1.863
  155   1HG   PRO  24           HG2      PRO  24  -9.306   3.685   3.656
  156   2HG   PRO  24           HG1      PRO  24  -9.667   5.160   2.743
  157   1HD   PRO  24           HD2      PRO  24 -10.412   2.516   2.018
  158   2HD   PRO  24           HD1      PRO  24 -10.515   3.958   0.985
  159    H    ASN  25           HN       ASN  25  -8.606   1.405   2.707
  160    HA   ASN  25           HA       ASN  25  -6.771   0.329   4.432
  161   1HB   ASN  25           HB2      ASN  25  -8.648  -1.324   2.721
  162   2HB   ASN  25           HB1      ASN  25  -7.968  -1.801   4.276
  163   1HD2  ASN  25          HD21      ASN  25 -10.564  -0.091   2.764
  164   2HD2  ASN  25          HD22      ASN  25 -11.252   0.550   4.177
  165    H    ALA  26           HN       ALA  26  -4.631   0.336   3.662
  166    HA   ALA  26           HA       ALA  26  -3.974  -1.926   1.856
  167   1HB   ALA  26           HB1      ALA  26  -3.178   0.962   1.425
  168   2HB   ALA  26           HB2      ALA  26  -3.990  -0.118   0.292
  169   3HB   ALA  26           HB3      ALA  26  -2.293  -0.379   0.698
  170    H    LYS  27           HN       LYS  27  -2.118  -2.973   2.548
  171    HA   LYS  27           HA       LYS  27  -0.647  -1.716   4.822
  172   1HB   LYS  27           HB2      LYS  27  -1.746  -4.309   4.461
  173   2HB   LYS  27           HB1      LYS  27   0.008  -4.492   4.440
  174   1HG   LYS  27           HG2      LYS  27  -0.121  -4.427   6.700
  175   2HG   LYS  27           HG1      LYS  27  -0.396  -2.695   6.506
  176   1HD   LYS  27           HD2      LYS  27  -2.654  -2.868   6.900
  177   2HD   LYS  27           HD1      LYS  27  -2.762  -4.475   6.183
  178   1HE   LYS  27           HE2      LYS  27  -2.666  -5.393   8.234
  179   2HE   LYS  27           HE1      LYS  27  -1.077  -4.668   8.476
  180   1HZ   LYS  27           HZ1      LYS  27  -1.927  -2.980   9.673
  181   2HZ   LYS  27           HZ2      LYS  27  -3.195  -4.073   9.958
  182   3HZ   LYS  27           HZ3      LYS  27  -3.350  -2.882   8.757
  183    H    CYS  28           HN       CYS  28   1.626  -1.571   4.720
  184    HA   CYS  28           HA       CYS  28   2.749  -1.787   1.995
  185   1HB   CYS  28           HB2      CYS  28   3.390  -0.296   4.455
  186   2HB   CYS  28           HB1      CYS  28   4.801  -0.896   3.583
  187    H    MET  29           HN       MET  29   3.983  -3.494   1.378
  188    HA   MET  29           HA       MET  29   4.864  -5.407   3.484
  189   1HB   MET  29           HB2      MET  29   4.143  -5.633   0.597
  190   2HB   MET  29           HB1      MET  29   5.365  -6.744   1.217
  191   1HG   MET  29           HG2      MET  29   3.873  -7.865   2.531
  192   2HG   MET  29           HG1      MET  29   2.973  -6.401   2.929
  193   1HE   MET  29           HE1      MET  29   2.761  -9.567   1.716
  194   2HE   MET  29           HE2      MET  29   1.293  -9.608   0.741
  195   3HE   MET  29           HE3      MET  29   1.230  -8.993   2.391
  196    H    ASN  30           HN       ASN  30   6.962  -6.669   2.270
  197    HA   ASN  30           HA       ASN  30   9.155  -4.919   2.743
  198   1HB   ASN  30           HB2      ASN  30   9.273  -7.418   2.811
  199   2HB   ASN  30           HB1      ASN  30   9.157  -7.438   1.052
  200   1HD2  ASN  30          HD21      ASN  30  11.322  -6.926   3.740
  201   2HD2  ASN  30          HD22      ASN  30  12.701  -6.561   2.821
  202    H    ARG  31           HN       ARG  31   9.115  -3.035   1.511
  203    HA   ARG  31           HA       ARG  31   9.340  -1.676  -0.388
  204   1HB   ARG  31           HB2      ARG  31  10.743  -4.211  -1.254
  205   2HB   ARG  31           HB1      ARG  31  10.698  -2.765  -2.262
  206   1HG   ARG  31           HG2      ARG  31  11.566  -1.518  -0.165
  207   2HG   ARG  31           HG1      ARG  31  11.975  -3.121   0.447
  208   1HD   ARG  31           HD2      ARG  31  13.607  -3.471  -1.158
  209   2HD   ARG  31           HD1      ARG  31  12.823  -2.417  -2.335
  210    HE   ARG  31           HE       ARG  31  13.743  -0.893  -0.067
  211   1HH1  ARG  31          HH11      ARG  31  15.703  -2.990  -1.627
  212   2HH1  ARG  31          HH12      ARG  31  16.682  -1.813  -2.437
  213   1HH2  ARG  31          HH21      ARG  31  14.595   0.845  -1.665
  214   2HH2  ARG  31          HH22      ARG  31  16.056   0.358  -2.459
  215    H    LYS  32           HN       LYS  32   6.854  -3.153  -0.120
  216    HA   LYS  32           HA       LYS  32   6.049  -3.087  -2.973
  217   1HB   LYS  32           HB2      LYS  32   5.783  -5.459  -1.129
  218   2HB   LYS  32           HB1      LYS  32   4.649  -5.215  -2.459
  219   1HG   LYS  32           HG2      LYS  32   7.663  -5.282  -2.792
  220   2HG   LYS  32           HG1      LYS  32   6.605  -6.667  -3.073
  221   1HD   LYS  32           HD2      LYS  32   5.303  -5.090  -4.662
  222   2HD   LYS  32           HD1      LYS  32   6.742  -4.070  -4.599
  223   1HE   LYS  32           HE2      LYS  32   6.959  -7.013  -5.214
  224   2HE   LYS  32           HE1      LYS  32   6.597  -5.846  -6.486
  225   1HZ   LYS  32           HZ1      LYS  32   8.639  -4.640  -5.308
  226   2HZ   LYS  32           HZ2      LYS  32   8.830  -5.742  -6.587
  227   3HZ   LYS  32           HZ3      LYS  32   9.052  -6.252  -4.981
  228    H    CYS  33           HN       CYS  33   3.499  -3.387  -3.005
  229    HA   CYS  33           HA       CYS  33   2.300  -2.182  -0.565
  230   1HB   CYS  33           HB2      CYS  33   2.564  -0.920  -3.235
  231   2HB   CYS  33           HB1      CYS  33   0.971  -0.799  -2.488
  232    H    LYS  34           HN       LYS  34   0.348  -3.082  -0.110
  233    HA   LYS  34           HA       LYS  34  -1.113  -4.479  -2.304
  234   1HB   LYS  34           HB2      LYS  34   0.311  -5.882  -0.469
  235   2HB   LYS  34           HB1      LYS  34  -1.218  -5.714   0.395
  236   1HG   LYS  34           HG2      LYS  34  -1.057  -6.670  -2.471
  237   2HG   LYS  34           HG1      LYS  34  -1.024  -7.771  -1.093
  238   1HD   LYS  34           HD2      LYS  34  -3.180  -6.556  -0.328
  239   2HD   LYS  34           HD1      LYS  34  -3.255  -5.947  -1.983
  240   1HE   LYS  34           HE2      LYS  34  -2.903  -8.888  -1.413
  241   2HE   LYS  34           HE1      LYS  34  -4.505  -8.150  -1.472
  242   1HZ   LYS  34           HZ1      LYS  34  -3.430  -7.171  -3.693
  243   2HZ   LYS  34           HZ2      LYS  34  -4.311  -8.623  -3.647
  244   3HZ   LYS  34           HZ3      LYS  34  -2.613  -8.655  -3.616
  245    H    CYS  35           HN       CYS  35  -3.076  -3.482  -2.419
  246    HA   CYS  35           HA       CYS  35  -4.147  -2.134  -0.017
  247   1HB   CYS  35           HB2      CYS  35  -5.712  -2.245  -2.558
  248   2HB   CYS  35           HB1      CYS  35  -5.486  -0.904  -1.437
  249    H    PHE  36           HN       PHE  36  -6.758  -2.427   0.026
  250    HA   PHE  36           HA       PHE  36  -7.485  -5.265  -0.387
  251   1HB   PHE  36           HB2      PHE  36  -7.037  -3.967   2.266
  252   2HB   PHE  36           HB1      PHE  36  -8.406  -5.068   2.116
  253    HD1  PHE  36           HD1      PHE  36  -4.729  -4.766   1.920
  254    HD2  PHE  36           HD2      PHE  36  -8.084  -7.440   1.716
  255    HE1  PHE  36           HE1      PHE  36  -3.193  -6.707   2.090
  256    HE2  PHE  36           HE2      PHE  36  -6.549  -9.380   1.885
  257    HZ   PHE  36           HZ       PHE  36  -4.104  -9.014   2.072
  258    H    GLY  37           HN       GLY  37  -8.948  -2.879   1.782
  259   1HA   GLY  37           HA2      GLY  37 -10.917  -1.589   1.492
  260   2HA   GLY  37           HA1      GLY  37 -10.976  -2.122  -0.189
  261    H    ARG  38           HN       ARG  38 -10.543  -4.744   1.891
  262    HA   ARG  38           HA       ARG  38 -13.413  -5.166   2.411
  263   1HB   ARG  38           HB2      ARG  38 -12.256  -6.129   0.025
  264   2HB   ARG  38           HB1      ARG  38 -12.385  -7.529   1.090
  265   1HG   ARG  38           HG2      ARG  38 -14.752  -5.767   1.104
  266   2HG   ARG  38           HG1      ARG  38 -14.444  -6.566  -0.438
  267   1HD   ARG  38           HD2      ARG  38 -15.166  -8.534   0.376
  268   2HD   ARG  38           HD1      ARG  38 -14.049  -8.428   1.736
  269    HE   ARG  38           HE       ARG  38 -16.519  -6.822   1.947
  270   1HH1  ARG  38          HH11      ARG  38 -17.171  -9.764   1.990
  271   2HH1  ARG  38          HH12      ARG  38 -17.066 -10.122   3.681
  272   1HH2  ARG  38          HH21      ARG  38 -15.324  -7.227   4.456
  273   2HH2  ARG  38          HH22      ARG  38 -16.023  -8.685   5.078
  Start of MODEL    9
    1   1H    THR   4           HT1      THR   4   5.705  -4.710  -6.502
    2   2H    THR   4           HT2      THR   4   7.138  -3.824  -6.724
    3   3H    THR   4           HT3      THR   4   6.619  -4.918  -7.916
    4    HA   THR   4           HA       THR   4   5.794  -3.097  -8.901
    5    HB   THR   4           HB       THR   4   3.783  -3.562  -6.686
    6    HG1  THR   4           HG1      THR   4   2.779  -4.786  -8.330
    7   1HG2  THR   4          HG21      THR   4   3.824  -1.354  -8.239
    8   2HG2  THR   4          HG22      THR   4   2.326  -2.128  -7.722
    9   3HG2  THR   4          HG23      THR   4   2.982  -2.457  -9.325
   10    H    ILE   5           HN       ILE   5   4.348  -1.958  -5.961
   11    HA   ILE   5           HA       ILE   5   5.599   0.636  -6.274
   12    HB   ILE   5           HB       ILE   5   4.046  -0.305  -3.892
   13   1HG1  ILE   5          HG12      ILE   5   2.866  -0.875  -6.058
   14   2HG1  ILE   5          HG11      ILE   5   1.995   0.269  -5.037
   15   1HG2  ILE   5          HG21      ILE   5   4.850   1.841  -3.473
   16   2HG2  ILE   5          HG22      ILE   5   3.272   2.173  -4.186
   17   3HG2  ILE   5          HG23      ILE   5   4.730   2.315  -5.168
   18   1HD1  ILE   5          HD11      ILE   5   3.898   1.252  -7.153
   19   2HD1  ILE   5          HD12      ILE   5   2.548   2.102  -6.400
   20   3HD1  ILE   5          HD13      ILE   5   2.240   0.819  -7.569
   21    H    SER   6           HN       SER   6   6.673   1.678  -4.312
   22    HA   SER   6           HA       SER   6   8.247  -0.268  -2.701
   23   1HB   SER   6           HB2      SER   6   9.907   1.972  -3.450
   24   2HB   SER   6           HB1      SER   6  10.203   0.252  -3.693
   25    HG   SER   6           HG       SER   6   9.966   1.704  -5.617
   26    H    CYS   7           HN       CYS   7   7.720   0.308  -0.635
   27    HA   CYS   7           HA       CYS   7   7.901   3.189   0.080
   28   1HB   CYS   7           HB2      CYS   7   5.795   2.765   1.528
   29   2HB   CYS   7           HB1      CYS   7   5.566   3.016  -0.203
   30    H    THR   8           HN       THR   8   7.495   3.283   2.629
   31    HA   THR   8           HA       THR   8   8.779   0.949   3.951
   32    HB   THR   8           HB       THR   8  10.622   2.477   3.470
   33    HG1  THR   8           HG1      THR   8  10.903   1.628   5.436
   34   1HG2  THR   8          HG21      THR   8   8.623   4.482   4.391
   35   2HG2  THR   8          HG22      THR   8   9.839   4.607   3.119
   36   3HG2  THR   8          HG23      THR   8  10.309   4.786   4.809
   37    H    ASN   9           HN       ASN   9   6.109   2.578   3.818
   38    HA   ASN   9           HA       ASN   9   5.617   2.406   6.727
   39   1HB   ASN   9           HB2      ASN   9   5.033   4.925   5.138
   40   2HB   ASN   9           HB1      ASN   9   4.628   4.651   6.833
   41   1HD2  ASN   9          HD21      ASN   9   6.839   6.266   5.025
   42   2HD2  ASN   9          HD22      ASN   9   8.194   6.167   6.043
   43    H    GLU  10           HN       GLU  10   3.291   2.372   7.202
   44    HA   GLU  10           HA       GLU  10   1.793   0.904   5.228
   45   1HB   GLU  10           HB2      GLU  10   1.618   0.997   7.875
   46   2HB   GLU  10           HB1      GLU  10   0.428   2.251   7.525
   47   1HG   GLU  10           HG2      GLU  10  -0.505   0.499   5.805
   48   2HG   GLU  10           HG1      GLU  10   0.368  -0.663   6.804
   49    H    LYS  11           HN       LYS  11   1.777   4.293   6.269
   50    HA   LYS  11           HA       LYS  11  -0.603   5.006   4.800
   51   1HB   LYS  11           HB2      LYS  11   0.431   6.340   6.690
   52   2HB   LYS  11           HB1      LYS  11   1.676   6.851   5.549
   53   1HG   LYS  11           HG2      LYS  11   0.186   8.096   4.267
   54   2HG   LYS  11           HG1      LYS  11  -1.209   7.147   4.782
   55   1HD   LYS  11           HD2      LYS  11  -0.875   8.114   7.105
   56   2HD   LYS  11           HD1      LYS  11   0.306   9.215   6.393
   57   1HE   LYS  11           HE2      LYS  11  -1.372  10.148   4.911
   58   2HE   LYS  11           HE1      LYS  11  -2.558   8.955   5.438
   59   1HZ   LYS  11           HZ1      LYS  11  -2.992  10.093   7.292
   60   2HZ   LYS  11           HZ2      LYS  11  -2.256  11.408   6.507
   61   3HZ   LYS  11           HZ3      LYS  11  -1.361  10.451   7.588
   62    H    GLN  12           HN       GLN  12   2.519   4.187   3.760
   63    HA   GLN  12           HA       GLN  12   2.720   5.975   1.495
   64   1HB   GLN  12           HB2      GLN  12   4.055   3.399   2.291
   65   2HB   GLN  12           HB1      GLN  12   4.290   4.052   0.669
   66   1HG   GLN  12           HG2      GLN  12   4.561   6.177   2.587
   67   2HG   GLN  12           HG1      GLN  12   5.612   4.839   3.052
   68   1HE2  GLN  12          HE21      GLN  12   6.799   7.220   2.121
   69   2HE2  GLN  12          HE22      GLN  12   7.471   6.952   0.585
   70    H    CYS  13           HN       CYS  13   0.799   3.222   2.158
   71    HA   CYS  13           HA       CYS  13   0.192   2.928  -0.758
   72   1HB   CYS  13           HB2      CYS  13  -0.454   0.876   1.363
   73   2HB   CYS  13           HB1      CYS  13  -0.360   0.651  -0.383
   74    H    TYR  14           HN       TYR  14  -0.920   4.483   1.854
   75    HA   TYR  14           HA       TYR  14  -3.711   3.662   1.845
   76   1HB   TYR  14           HB2      TYR  14  -2.053   5.641   3.259
   77   2HB   TYR  14           HB1      TYR  14  -3.706   6.175   2.952
   78    HD1  TYR  14           HD1      TYR  14  -2.533   2.677   3.449
   79    HD2  TYR  14           HD2      TYR  14  -4.672   6.004   5.124
   80    HE1  TYR  14           HE1      TYR  14  -3.340   1.229   5.294
   81    HE2  TYR  14           HE2      TYR  14  -5.480   4.556   6.969
   82    HH   TYR  14           HH       TYR  14  -5.126   2.556   8.023
   83    HA   PRO  15           HA       PRO  15  -4.283   7.653  -0.710
   84   1HB   PRO  15           HB2      PRO  15  -2.018   8.983  -1.524
   85   2HB   PRO  15           HB1      PRO  15  -2.863   9.326  -0.004
   86   1HG   PRO  15           HG2      PRO  15  -0.295   7.871  -0.437
   87   2HG   PRO  15           HG1      PRO  15  -0.847   8.776   0.982
   88   1HD   PRO  15           HD2      PRO  15  -0.848   5.963   0.717
   89   2HD   PRO  15           HD1      PRO  15  -1.708   6.893   1.961
   90    H    HIS  16           HN       HIS  16  -1.657   5.474  -1.445
   91    HA   HIS  16           HA       HIS  16  -1.752   5.902  -4.325
   92   1HB   HIS  16           HB2      HIS  16   0.250   4.885  -4.123
   93   2HB   HIS  16           HB1      HIS  16  -0.095   4.481  -2.447
   94    HD1  HIS  16           HD1      HIS  16   0.033   3.031  -5.869
   95    HD2  HIS  16           HD2      HIS  16  -1.262   1.848  -2.087
   96    HE1  HIS  16           HE1      HIS  16  -0.322   0.525  -5.983
   97    H    CYS  17           HN       CYS  17  -2.887   3.305  -2.139
   98    HA   CYS  17           HA       CYS  17  -4.286   1.951  -4.309
   99   1HB   CYS  17           HB2      CYS  17  -3.857   1.519  -1.408
  100   2HB   CYS  17           HB1      CYS  17  -5.357   0.866  -2.066
  101    H    LYS  18           HN       LYS  18  -5.147   4.255  -1.775
  102    HA   LYS  18           HA       LYS  18  -7.976   3.995  -1.933
  103   1HB   LYS  18           HB2      LYS  18  -6.730   5.356  -0.224
  104   2HB   LYS  18           HB1      LYS  18  -6.433   6.564  -1.474
  105   1HG   LYS  18           HG2      LYS  18  -9.245   5.637  -1.046
  106   2HG   LYS  18           HG1      LYS  18  -8.546   6.746   0.133
  107   1HD   LYS  18           HD2      LYS  18  -7.861   7.681  -2.483
  108   2HD   LYS  18           HD1      LYS  18  -9.597   7.364  -2.446
  109   1HE   LYS  18           HE2      LYS  18  -9.029   9.682  -1.714
  110   2HE   LYS  18           HE1      LYS  18  -9.850   8.756  -0.458
  111   1HZ   LYS  18           HZ1      LYS  18  -7.224   9.867  -0.462
  112   2HZ   LYS  18           HZ2      LYS  18  -7.194   8.205  -0.107
  113   3HZ   LYS  18           HZ3      LYS  18  -8.134   9.262   0.834
  114    H    LYS  19           HN       LYS  19  -5.728   6.028  -3.805
  115    HA   LYS  19           HA       LYS  19  -7.887   7.079  -5.474
  116   1HB   LYS  19           HB2      LYS  19  -5.978   8.508  -5.105
  117   2HB   LYS  19           HB1      LYS  19  -4.869   7.255  -5.662
  118   1HG   LYS  19           HG2      LYS  19  -5.137   7.894  -7.802
  119   2HG   LYS  19           HG1      LYS  19  -6.890   7.749  -7.668
  120   1HD   LYS  19           HD2      LYS  19  -6.518  10.036  -8.181
  121   2HD   LYS  19           HD1      LYS  19  -6.809  10.011  -6.440
  122   1HE   LYS  19           HE2      LYS  19  -4.185   9.698  -6.327
  123   2HE   LYS  19           HE1      LYS  19  -4.242  10.440  -7.925
  124   1HZ   LYS  19           HZ1      LYS  19  -5.068  12.390  -7.095
  125   2HZ   LYS  19           HZ2      LYS  19  -4.079  11.906  -5.801
  126   3HZ   LYS  19           HZ3      LYS  19  -5.758  11.661  -5.728
  127    H    GLU  20           HN       GLU  20  -5.725   4.351  -5.533
  128    HA   GLU  20           HA       GLU  20  -5.771   3.828  -8.351
  129   1HB   GLU  20           HB2      GLU  20  -4.691   2.598  -6.048
  130   2HB   GLU  20           HB1      GLU  20  -5.726   1.386  -6.806
  131   1HG   GLU  20           HG2      GLU  20  -4.577   2.116  -9.023
  132   2HG   GLU  20           HG1      GLU  20  -3.348   2.821  -7.974
  133    H    THR  21           HN       THR  21  -7.741   2.397  -5.714
  134    HA   THR  21           HA       THR  21  -9.843   1.880  -7.778
  135    HB   THR  21           HB       THR  21  -9.005  -0.272  -7.226
  136    HG1  THR  21           HG1      THR  21 -11.297  -0.020  -7.000
  137   1HG2  THR  21          HG21      THR  21  -9.175  -0.597  -4.471
  138   2HG2  THR  21          HG22      THR  21  -8.482   1.013  -4.658
  139   3HG2  THR  21          HG23      THR  21  -7.690  -0.376  -5.397
  140    H    GLY  22           HN       GLY  22  -9.113   2.755  -4.430
  141   1HA   GLY  22           HA2      GLY  22 -10.674   4.624  -3.634
  142   2HA   GLY  22           HA1      GLY  22 -11.982   3.543  -4.112
  143    H    TYR  23           HN       TYR  23  -8.980   2.539  -2.523
  144    HA   TYR  23           HA       TYR  23 -10.486   2.098  -0.001
  145   1HB   TYR  23           HB2      TYR  23  -9.425   0.018  -1.823
  146   2HB   TYR  23           HB1      TYR  23  -9.070  -0.213  -0.111
  147    HD1  TYR  23           HD1      TYR  23 -10.828  -0.650   1.497
  148    HD2  TYR  23           HD2      TYR  23 -11.759   0.126  -2.623
  149    HE1  TYR  23           HE1      TYR  23 -13.148  -1.441   1.873
  150    HE2  TYR  23           HE2      TYR  23 -14.079  -0.664  -2.247
  151    HH   TYR  23           HH       TYR  23 -15.112  -1.877   0.944
  152    HA   PRO  24           HA       PRO  24  -6.446   3.670   1.190
  153   1HB   PRO  24           HB2      PRO  24  -7.236   4.393   3.723
  154   2HB   PRO  24           HB1      PRO  24  -7.522   5.390   2.287
  155   1HG   PRO  24           HG2      PRO  24  -9.457   3.739   3.840
  156   2HG   PRO  24           HG1      PRO  24  -9.754   5.171   2.840
  157   1HD   PRO  24           HD2      PRO  24 -10.244   2.482   2.087
  158   2HD   PRO  24           HD1      PRO  24 -10.243   3.890   1.004
  159    H    ASN  25           HN       ASN  25  -8.203   0.986   2.255
  160    HA   ASN  25           HA       ASN  25  -6.572   0.231   4.536
  161   1HB   ASN  25           HB2      ASN  25  -8.910  -0.753   3.208
  162   2HB   ASN  25           HB1      ASN  25  -7.740  -2.069   3.311
  163   1HD2  ASN  25          HD21      ASN  25  -6.456  -1.526   5.744
  164   2HD2  ASN  25          HD22      ASN  25  -7.579  -1.601   7.014
  165    H    ALA  26           HN       ALA  26  -4.383   0.183   3.959
  166    HA   ALA  26           HA       ALA  26  -3.587  -2.081   2.236
  167   1HB   ALA  26           HB1      ALA  26  -3.706  -0.210   0.656
  168   2HB   ALA  26           HB2      ALA  26  -2.022  -0.660   0.928
  169   3HB   ALA  26           HB3      ALA  26  -2.692   0.769   1.715
  170    H    LYS  27           HN       LYS  27  -1.217  -2.527   2.463
  171    HA   LYS  27           HA       LYS  27   0.011  -1.265   4.863
  172   1HB   LYS  27           HB2      LYS  27   0.757  -3.711   5.438
  173   2HB   LYS  27           HB1      LYS  27  -0.859  -3.175   5.904
  174   1HG   LYS  27           HG2      LYS  27  -1.848  -4.660   4.520
  175   2HG   LYS  27           HG1      LYS  27  -0.794  -4.213   3.178
  176   1HD   LYS  27           HD2      LYS  27   0.845  -5.774   3.771
  177   2HD   LYS  27           HD1      LYS  27   0.281  -5.876   5.440
  178   1HE   LYS  27           HE2      LYS  27  -1.705  -6.670   3.396
  179   2HE   LYS  27           HE1      LYS  27  -0.304  -7.732   3.531
  180   1HZ   LYS  27           HZ1      LYS  27  -1.152  -7.045   6.109
  181   2HZ   LYS  27           HZ2      LYS  27  -1.156  -8.576   5.371
  182   3HZ   LYS  27           HZ3      LYS  27  -2.512  -7.560   5.236
  183    H    CYS  28           HN       CYS  28   2.184  -0.909   4.572
  184    HA   CYS  28           HA       CYS  28   3.374  -1.807   2.019
  185   1HB   CYS  28           HB2      CYS  28   3.605   0.567   2.789
  186   2HB   CYS  28           HB1      CYS  28   4.552  -0.010   4.161
  187    H    MET  29           HN       MET  29   4.463  -3.707   2.002
  188    HA   MET  29           HA       MET  29   6.112  -4.406   4.386
  189   1HB   MET  29           HB2      MET  29   5.422  -6.819   3.981
  190   2HB   MET  29           HB1      MET  29   4.151  -5.777   4.623
  191   1HG   MET  29           HG2      MET  29   2.914  -5.895   2.713
  192   2HG   MET  29           HG1      MET  29   4.337  -5.837   1.673
  193   1HE   MET  29           HE1      MET  29   2.612  -9.148   4.105
  194   2HE   MET  29           HE2      MET  29   1.541  -8.687   2.785
  195   3HE   MET  29           HE3      MET  29   2.123  -7.460   3.907
  196    H    ASN  30           HN       ASN  30   8.168  -4.873   3.784
  197    HA   ASN  30           HA       ASN  30  10.008  -5.246   2.375
  198   1HB   ASN  30           HB2      ASN  30   8.353  -7.446   2.286
  199   2HB   ASN  30           HB1      ASN  30   8.553  -7.060   0.576
  200   1HD2  ASN  30          HD21      ASN  30  10.533  -7.639  -0.390
  201   2HD2  ASN  30          HD22      ASN  30  11.883  -8.205   0.469
  202    H    ARG  31           HN       ARG  31   8.948  -2.914   1.642
  203    HA   ARG  31           HA       ARG  31   8.576  -1.443  -0.157
  204   1HB   ARG  31           HB2      ARG  31  10.586  -3.452  -1.052
  205   2HB   ARG  31           HB1      ARG  31   9.883  -2.420  -2.297
  206   1HG   ARG  31           HG2      ARG  31  10.394  -0.489  -0.586
  207   2HG   ARG  31           HG1      ARG  31  11.543  -1.649   0.083
  208   1HD   ARG  31           HD2      ARG  31  11.845  -1.725  -2.740
  209   2HD   ARG  31           HD1      ARG  31  11.811  -0.024  -2.273
  210    HE   ARG  31           HE       ARG  31  13.578  -0.907  -0.478
  211   1HH1  ARG  31          HH11      ARG  31  14.166  -0.026  -3.467
  212   2HH1  ARG  31          HH12      ARG  31  15.385  -1.193  -3.857
  213   1HH2  ARG  31          HH21      ARG  31  14.729  -3.192  -1.101
  214   2HH2  ARG  31          HH22      ARG  31  15.705  -2.985  -2.516
  215    H    LYS  32           HN       LYS  32   6.473  -3.360   0.210
  216    HA   LYS  32           HA       LYS  32   5.523  -3.526  -2.609
  217   1HB   LYS  32           HB2      LYS  32   6.219  -5.764  -0.972
  218   2HB   LYS  32           HB1      LYS  32   4.466  -5.757  -1.172
  219   1HG   LYS  32           HG2      LYS  32   5.176  -6.934  -3.070
  220   2HG   LYS  32           HG1      LYS  32   5.011  -5.289  -3.688
  221   1HD   LYS  32           HD2      LYS  32   7.134  -5.968  -4.468
  222   2HD   LYS  32           HD1      LYS  32   7.502  -5.013  -3.032
  223   1HE   LYS  32           HE2      LYS  32   8.394  -6.794  -1.976
  224   2HE   LYS  32           HE1      LYS  32   6.993  -7.797  -2.354
  225   1HZ   LYS  32           HZ1      LYS  32   8.739  -7.192  -4.586
  226   2HZ   LYS  32           HZ2      LYS  32   7.976  -8.650  -4.164
  227   3HZ   LYS  32           HZ3      LYS  32   9.417  -8.185  -3.390
  228    H    CYS  33           HN       CYS  33   3.747  -2.235  -2.624
  229    HA   CYS  33           HA       CYS  33   2.216  -1.714  -0.200
  230   1HB   CYS  33           HB2      CYS  33   2.084  -0.830  -3.060
  231   2HB   CYS  33           HB1      CYS  33   0.661  -0.610  -2.041
  232    H    LYS  34           HN       LYS  34   1.418  -3.819   0.379
  233    HA   LYS  34           HA       LYS  34  -0.351  -5.197  -1.547
  234   1HB   LYS  34           HB2      LYS  34   1.210  -5.985   0.711
  235   2HB   LYS  34           HB1      LYS  34  -0.477  -6.351   1.070
  236   1HG   LYS  34           HG2      LYS  34  -0.213  -8.206  -0.191
  237   2HG   LYS  34           HG1      LYS  34  -0.182  -7.128  -1.588
  238   1HD   LYS  34           HD2      LYS  34   2.396  -6.931  -0.587
  239   2HD   LYS  34           HD1      LYS  34   2.005  -8.636  -0.357
  240   1HE   LYS  34           HE2      LYS  34   1.024  -8.274  -2.854
  241   2HE   LYS  34           HE1      LYS  34   2.334  -7.093  -2.872
  242   1HZ   LYS  34           HZ1      LYS  34   2.473 -10.011  -2.499
  243   2HZ   LYS  34           HZ2      LYS  34   3.697  -9.016  -1.867
  244   3HZ   LYS  34           HZ3      LYS  34   3.378  -9.020  -3.535
  245    H    CYS  35           HN       CYS  35  -2.341  -4.245  -1.727
  246    HA   CYS  35           HA       CYS  35  -3.620  -3.195   0.750
  247   1HB   CYS  35           HB2      CYS  35  -4.564  -2.814  -2.097
  248   2HB   CYS  35           HB1      CYS  35  -5.028  -1.883  -0.673
  249    H    PHE  36           HN       PHE  36  -6.119  -3.496   0.687
  250    HA   PHE  36           HA       PHE  36  -6.981  -6.037  -0.536
  251   1HB   PHE  36           HB2      PHE  36  -6.663  -5.619   2.437
  252   2HB   PHE  36           HB1      PHE  36  -7.829  -6.776   1.794
  253    HD1  PHE  36           HD1      PHE  36  -4.830  -6.813   3.271
  254    HD2  PHE  36           HD2      PHE  36  -6.525  -7.928  -0.515
  255    HE1  PHE  36           HE1      PHE  36  -3.011  -8.467   2.943
  256    HE2  PHE  36           HE2      PHE  36  -4.707  -9.582  -0.843
  257    HZ   PHE  36           HZ       PHE  36  -2.950  -9.851   0.885
  258    H    GLY  37           HN       GLY  37  -8.012  -3.759  -1.352
  259   1HA   GLY  37           HA2      GLY  37 -10.534  -3.385   0.214
  260   2HA   GLY  37           HA1      GLY  37  -9.793  -2.109  -0.752
  261    H    ARG  38           HN       ARG  38 -10.689  -5.530  -1.347
  262    HA   ARG  38           HA       ARG  38 -12.661  -4.794  -3.343
  263   1HB   ARG  38           HB2      ARG  38 -11.381  -5.889  -5.253
  264   2HB   ARG  38           HB1      ARG  38 -10.772  -4.313  -4.746
  265   1HG   ARG  38           HG2      ARG  38  -8.761  -5.325  -4.537
  266   2HG   ARG  38           HG1      ARG  38  -9.420  -6.074  -3.083
  267   1HD   ARG  38           HD2      ARG  38 -10.055  -8.046  -4.266
  268   2HD   ARG  38           HD1      ARG  38  -9.804  -7.273  -5.832
  269    HE   ARG  38           HE       ARG  38  -7.686  -8.327  -4.063
  270   1HH1  ARG  38          HH11      ARG  38  -8.408  -6.001  -6.467
  271   2HH1  ARG  38          HH12      ARG  38  -6.967  -6.287  -7.383
  272   1HH2  ARG  38          HH21      ARG  38  -5.908  -8.925  -5.394
  273   2HH2  ARG  38          HH22      ARG  38  -5.553  -7.945  -6.778
  Start of MODEL   10
    1   1H    THR   4           HT1      THR   4   3.422  -4.398  -6.507
    2   2H    THR   4           HT2      THR   4   4.807  -3.563  -5.987
    3   3H    THR   4           HT3      THR   4   4.533  -3.810  -7.646
    4    HA   THR   4           HA       THR   4   2.784  -2.289  -7.728
    5    HB   THR   4           HB       THR   4   2.837  -1.807  -4.775
    6    HG1  THR   4           HG1      THR   4   1.309  -3.863  -5.976
    7   1HG2  THR   4          HG21      THR   4   1.130  -1.277  -7.097
    8   2HG2  THR   4          HG22      THR   4   1.220  -0.431  -5.553
    9   3HG2  THR   4          HG23      THR   4   0.235  -1.885  -5.704
   10    H    ILE   5           HN       ILE   5   3.034  -0.030  -5.727
   11    HA   ILE   5           HA       ILE   5   5.184   1.357  -6.991
   12    HB   ILE   5           HB       ILE   5   4.705   3.052  -5.223
   13   1HG1  ILE   5          HG12      ILE   5   2.355   1.998  -4.095
   14   2HG1  ILE   5          HG11      ILE   5   3.562   0.719  -3.955
   15   1HG2  ILE   5          HG21      ILE   5   2.182   1.900  -6.419
   16   2HG2  ILE   5          HG22      ILE   5   3.363   2.820  -7.352
   17   3HG2  ILE   5          HG23      ILE   5   2.499   3.589  -6.020
   18   1HD1  ILE   5          HD11      ILE   5   4.676   1.839  -2.344
   19   2HD1  ILE   5          HD12      ILE   5   3.310   2.953  -2.285
   20   3HD1  ILE   5          HD13      ILE   5   4.701   3.316  -3.306
   21    H    SER   6           HN       SER   6   6.595   2.628  -5.025
   22    HA   SER   6           HA       SER   6   7.987   0.400  -3.588
   23   1HB   SER   6           HB2      SER   6   9.360   2.905  -4.562
   24   2HB   SER   6           HB1      SER   6  10.090   1.377  -4.073
   25    HG   SER   6           HG       SER   6   8.803   2.094  -6.450
   26    H    CYS   7           HN       CYS   7   6.852   0.833  -1.629
   27    HA   CYS   7           HA       CYS   7   7.395   3.523  -0.435
   28   1HB   CYS   7           HB2      CYS   7   5.416   3.099   0.988
   29   2HB   CYS   7           HB1      CYS   7   4.996   3.052  -0.724
   30    H    THR   8           HN       THR   8   7.026   3.091   2.177
   31    HA   THR   8           HA       THR   8   8.647   0.722   2.955
   32    HB   THR   8           HB       THR   8  10.060   2.151   4.410
   33    HG1  THR   8           HG1      THR   8   9.733   4.250   4.521
   34   1HG2  THR   8          HG21      THR   8  11.222   1.768   2.456
   35   2HG2  THR   8          HG22      THR   8  11.069   3.522   2.355
   36   3HG2  THR   8          HG23      THR   8   9.967   2.487   1.446
   37    H    ASN   9           HN       ASN   9   6.836   3.573   4.117
   38    HA   ASN   9           HA       ASN   9   6.106   2.112   6.580
   39   1HB   ASN   9           HB2      ASN   9   6.620   4.741   6.158
   40   2HB   ASN   9           HB1      ASN   9   4.864   4.740   5.981
   41   1HD2  ASN   9          HD21      ASN   9   7.504   4.000   8.258
   42   2HD2  ASN   9          HD22      ASN   9   6.525   3.977   9.644
   43    H    GLU  10           HN       GLU  10   3.787   1.916   7.168
   44    HA   GLU  10           HA       GLU  10   2.245   0.832   4.983
   45   1HB   GLU  10           HB2      GLU  10   0.460   0.577   6.693
   46   2HB   GLU  10           HB1      GLU  10   2.012  -0.037   7.263
   47   1HG   GLU  10           HG2      GLU  10   2.270   2.471   8.134
   48   2HG   GLU  10           HG1      GLU  10   0.507   2.399   8.117
   49    H    LYS  11           HN       LYS  11   2.544   4.001   6.331
   50    HA   LYS  11           HA       LYS  11  -0.068   4.974   5.536
   51   1HB   LYS  11           HB2      LYS  11   1.347   6.065   7.278
   52   2HB   LYS  11           HB1      LYS  11   2.480   6.543   6.014
   53   1HG   LYS  11           HG2      LYS  11   1.004   8.072   5.075
   54   2HG   LYS  11           HG1      LYS  11  -0.419   7.229   5.689
   55   1HD   LYS  11           HD2      LYS  11  -0.195   8.128   7.833
   56   2HD   LYS  11           HD1      LYS  11   1.525   8.459   7.621
   57   1HE   LYS  11           HE2      LYS  11   0.998  10.569   7.046
   58   2HE   LYS  11           HE1      LYS  11   0.188   9.934   5.613
   59   1HZ   LYS  11           HZ1      LYS  11  -0.944  11.038   7.975
   60   2HZ   LYS  11           HZ2      LYS  11  -1.545   9.475   7.692
   61   3HZ   LYS  11           HZ3      LYS  11  -1.689  10.672   6.496
   62    H    GLN  12           HN       GLN  12   2.909   4.407   3.840
   63    HA   GLN  12           HA       GLN  12   2.458   6.335   1.727
   64   1HB   GLN  12           HB2      GLN  12   4.350   4.146   2.282
   65   2HB   GLN  12           HB1      GLN  12   4.012   4.400   0.570
   66   1HG   GLN  12           HG2      GLN  12   5.156   6.346   0.534
   67   2HG   GLN  12           HG1      GLN  12   4.381   6.914   2.012
   68   1HE2  GLN  12          HE21      GLN  12   7.150   5.079   0.761
   69   2HE2  GLN  12          HE22      GLN  12   8.021   5.069   2.219
   70    H    CYS  13           HN       CYS  13   1.015   3.314   2.469
   71    HA   CYS  13           HA       CYS  13   0.201   2.872  -0.353
   72   1HB   CYS  13           HB2      CYS  13  -0.369   1.233   2.137
   73   2HB   CYS  13           HB1      CYS  13  -0.778   0.769   0.485
   74    H    TYR  14           HN       TYR  14  -0.875   4.556   2.348
   75    HA   TYR  14           HA       TYR  14  -3.687   4.089   2.294
   76   1HB   TYR  14           HB2      TYR  14  -1.862   6.117   3.395
   77   2HB   TYR  14           HB1      TYR  14  -3.474   6.729   3.019
   78    HD1  TYR  14           HD1      TYR  14  -5.165   4.374   3.478
   79    HD2  TYR  14           HD2      TYR  14  -1.818   5.842   5.735
   80    HE1  TYR  14           HE1      TYR  14  -6.060   3.282   5.517
   81    HE2  TYR  14           HE2      TYR  14  -2.713   4.750   7.774
   82    HH   TYR  14           HH       TYR  14  -4.900   3.973   8.630
   83    HA   PRO  15           HA       PRO  15  -4.016   7.775  -0.744
   84   1HB   PRO  15           HB2      PRO  15  -1.679   8.755  -1.801
   85   2HB   PRO  15           HB1      PRO  15  -2.413   9.368  -0.309
   86   1HG   PRO  15           HG2      PRO  15  -0.035   7.585  -0.644
   87   2HG   PRO  15           HG1      PRO  15  -0.392   8.748   0.644
   88   1HD   PRO  15           HD2      PRO  15  -0.703   5.964   0.837
   89   2HD   PRO  15           HD1      PRO  15  -1.441   7.159   1.926
   90    H    HIS  16           HN       HIS  16  -1.261   5.640  -1.500
   91    HA   HIS  16           HA       HIS  16  -1.726   5.623  -4.337
   92   1HB   HIS  16           HB2      HIS  16   0.383   4.832  -4.003
   93   2HB   HIS  16           HB1      HIS  16   0.000   4.216  -2.401
   94    HD1  HIS  16           HD1      HIS  16  -0.210   3.259  -6.058
   95    HD2  HIS  16           HD2      HIS  16  -0.631   1.498  -2.306
   96    HE1  HIS  16           HE1      HIS  16  -0.383   0.763  -6.458
   97    H    CYS  17           HN       CYS  17  -2.397   3.062  -1.898
   98    HA   CYS  17           HA       CYS  17  -3.925   1.419  -3.627
   99   1HB   CYS  17           HB2      CYS  17  -3.845   1.784  -0.652
  100   2HB   CYS  17           HB1      CYS  17  -5.137   0.816  -1.354
  101    H    LYS  18           HN       LYS  18  -4.916   4.188  -1.634
  102    HA   LYS  18           HA       LYS  18  -7.723   3.989  -2.069
  103   1HB   LYS  18           HB2      LYS  18  -6.961   5.545  -0.422
  104   2HB   LYS  18           HB1      LYS  18  -5.889   6.345  -1.570
  105   1HG   LYS  18           HG2      LYS  18  -7.852   7.119  -2.860
  106   2HG   LYS  18           HG1      LYS  18  -8.919   6.342  -1.689
  107   1HD   LYS  18           HD2      LYS  18  -7.925   7.761   0.106
  108   2HD   LYS  18           HD1      LYS  18  -6.959   8.585  -1.118
  109   1HE   LYS  18           HE2      LYS  18  -9.989   8.484  -1.018
  110   2HE   LYS  18           HE1      LYS  18  -8.986   9.881  -0.626
  111   1HZ   LYS  18           HZ1      LYS  18  -9.813  10.033  -2.877
  112   2HZ   LYS  18           HZ2      LYS  18  -9.138   8.524  -3.264
  113   3HZ   LYS  18           HZ3      LYS  18  -8.128   9.839  -2.895
  114    H    LYS  19           HN       LYS  19  -5.151   5.507  -3.991
  115    HA   LYS  19           HA       LYS  19  -7.005   6.543  -5.987
  116   1HB   LYS  19           HB2      LYS  19  -4.847   7.646  -5.626
  117   2HB   LYS  19           HB1      LYS  19  -3.996   6.162  -6.060
  118   1HG   LYS  19           HG2      LYS  19  -4.264   6.529  -8.277
  119   2HG   LYS  19           HG1      LYS  19  -5.955   6.990  -8.080
  120   1HD   LYS  19           HD2      LYS  19  -4.277   9.017  -6.916
  121   2HD   LYS  19           HD1      LYS  19  -3.750   8.702  -8.570
  122   1HE   LYS  19           HE2      LYS  19  -5.855   9.243  -9.476
  123   2HE   LYS  19           HE1      LYS  19  -6.674   9.045  -7.927
  124   1HZ   LYS  19           HZ1      LYS  19  -6.410  11.376  -8.488
  125   2HZ   LYS  19           HZ2      LYS  19  -4.725  11.185  -8.595
  126   3HZ   LYS  19           HZ3      LYS  19  -5.511  10.994  -7.102
  127    H    GLU  20           HN       GLU  20  -5.644   3.482  -5.338
  128    HA   GLU  20           HA       GLU  20  -5.589   2.552  -8.107
  129   1HB   GLU  20           HB2      GLU  20  -4.235   1.629  -6.090
  130   2HB   GLU  20           HB1      GLU  20  -5.715   0.756  -5.690
  131   1HG   GLU  20           HG2      GLU  20  -4.265  -0.647  -7.088
  132   2HG   GLU  20           HG1      GLU  20  -5.733  -0.223  -7.970
  133    H    THR  21           HN       THR  21  -7.552   1.469  -5.308
  134    HA   THR  21           HA       THR  21  -9.771   0.959  -7.250
  135    HB   THR  21           HB       THR  21  -8.899  -1.066  -6.107
  136    HG1  THR  21           HG1      THR  21 -11.296  -0.431  -6.453
  137   1HG2  THR  21          HG21      THR  21  -8.648  -1.226  -3.836
  138   2HG2  THR  21          HG22      THR  21 -10.021  -0.171  -3.504
  139   3HG2  THR  21          HG23      THR  21  -8.470   0.524  -3.972
  140    H    GLY  22           HN       GLY  22  -8.902   2.374  -4.136
  141   1HA   GLY  22           HA2      GLY  22 -10.290   4.537  -3.792
  142   2HA   GLY  22           HA1      GLY  22 -11.678   3.454  -3.909
  143    H    TYR  23           HN       TYR  23  -9.626   1.468  -2.508
  144    HA   TYR  23           HA       TYR  23 -10.576   2.173   0.202
  145   1HB   TYR  23           HB2      TYR  23  -9.563  -0.301  -1.130
  146   2HB   TYR  23           HB1      TYR  23  -9.339  -0.155   0.613
  147    HD1  TYR  23           HD1      TYR  23 -11.053  -0.893   1.997
  148    HD2  TYR  23           HD2      TYR  23 -11.996   0.432  -1.977
  149    HE1  TYR  23           HE1      TYR  23 -13.429  -1.504   2.359
  150    HE2  TYR  23           HE2      TYR  23 -14.373  -0.178  -1.618
  151    HH   TYR  23           HH       TYR  23 -15.574  -1.988   0.052
  152    HA   PRO  24           HA       PRO  24  -6.483   3.766   1.014
  153   1HB   PRO  24           HB2      PRO  24  -7.054   4.622   3.564
  154   2HB   PRO  24           HB1      PRO  24  -7.510   5.520   2.105
  155   1HG   PRO  24           HG2      PRO  24  -9.231   3.913   3.933
  156   2HG   PRO  24           HG1      PRO  24  -9.670   5.272   2.884
  157   1HD   PRO  24           HD2      PRO  24 -10.135   2.527   2.342
  158   2HD   PRO  24           HD1      PRO  24 -10.290   3.866   1.185
  159    H    ASN  25           HN       ASN  25  -8.239   1.402   2.912
  160    HA   ASN  25           HA       ASN  25  -6.206   0.728   4.803
  161   1HB   ASN  25           HB2      ASN  25  -8.738  -0.066   4.516
  162   2HB   ASN  25           HB1      ASN  25  -7.963  -1.418   3.690
  163   1HD2  ASN  25          HD21      ASN  25  -9.139  -2.264   5.931
  164   2HD2  ASN  25          HD22      ASN  25  -8.049  -2.451   7.218
  165    H    ALA  26           HN       ALA  26  -4.154   0.412   3.981
  166    HA   ALA  26           HA       ALA  26  -3.833  -1.889   2.114
  167   1HB   ALA  26           HB1      ALA  26  -2.467   0.810   1.861
  168   2HB   ALA  26           HB2      ALA  26  -3.635   0.120   0.735
  169   3HB   ALA  26           HB3      ALA  26  -2.045  -0.620   0.919
  170    H    LYS  27           HN       LYS  27  -1.146  -2.082   1.978
  171    HA   LYS  27           HA       LYS  27  -0.006  -1.724   4.684
  172   1HB   LYS  27           HB2      LYS  27  -0.706  -4.368   3.452
  173   2HB   LYS  27           HB1      LYS  27   0.739  -4.249   4.455
  174   1HG   LYS  27           HG2      LYS  27  -0.504  -4.252   6.329
  175   2HG   LYS  27           HG1      LYS  27  -1.448  -2.881   5.746
  176   1HD   LYS  27           HD2      LYS  27  -2.868  -4.419   4.433
  177   2HD   LYS  27           HD1      LYS  27  -1.932  -5.788   5.031
  178   1HE   LYS  27           HE2      LYS  27  -3.699  -3.917   6.621
  179   2HE   LYS  27           HE1      LYS  27  -3.865  -5.662   6.432
  180   1HZ   LYS  27           HZ1      LYS  27  -1.896  -4.151   8.019
  181   2HZ   LYS  27           HZ2      LYS  27  -1.533  -5.721   7.479
  182   3HZ   LYS  27           HZ3      LYS  27  -2.873  -5.456   8.489
  183    H    CYS  28           HN       CYS  28   2.074  -1.065   4.419
  184    HA   CYS  28           HA       CYS  28   3.358  -1.506   1.778
  185   1HB   CYS  28           HB2      CYS  28   3.294   0.800   2.713
  186   2HB   CYS  28           HB1      CYS  28   4.236   0.243   4.096
  187    H    MET  29           HN       MET  29   4.391  -3.463   1.745
  188    HA   MET  29           HA       MET  29   6.232  -4.061   4.024
  189   1HB   MET  29           HB2      MET  29   4.030  -5.578   3.227
  190   2HB   MET  29           HB1      MET  29   5.404  -6.401   2.489
  191   1HG   MET  29           HG2      MET  29   6.424  -6.830   4.549
  192   2HG   MET  29           HG1      MET  29   5.562  -5.522   5.358
  193   1HE   MET  29           HE1      MET  29   5.040  -9.725   5.041
  194   2HE   MET  29           HE2      MET  29   5.199  -9.053   6.663
  195   3HE   MET  29           HE3      MET  29   6.325  -8.562   5.400
  196    H    ASN  30           HN       ASN  30   8.326  -4.348   3.421
  197    HA   ASN  30           HA       ASN  30  10.173  -4.176   1.954
  198   1HB   ASN  30           HB2      ASN  30  10.068  -6.196   0.288
  199   2HB   ASN  30           HB1      ASN  30  10.157  -6.510   2.022
  200   1HD2  ASN  30          HD21      ASN  30   8.108  -6.766  -0.817
  201   2HD2  ASN  30          HD22      ASN  30   6.820  -7.561  -0.050
  202    H    ARG  31           HN       ARG  31   8.647  -2.169   1.130
  203    HA   ARG  31           HA       ARG  31   8.103  -0.848  -0.731
  204   1HB   ARG  31           HB2      ARG  31   9.840  -2.852  -2.199
  205   2HB   ARG  31           HB1      ARG  31   9.435  -1.223  -2.741
  206   1HG   ARG  31           HG2      ARG  31  11.009  -0.278  -1.418
  207   2HG   ARG  31           HG1      ARG  31  10.561  -1.277  -0.035
  208   1HD   ARG  31           HD2      ARG  31  12.070  -2.461  -2.358
  209   2HD   ARG  31           HD1      ARG  31  12.922  -1.608  -1.072
  210    HE   ARG  31           HE       ARG  31  11.444  -3.348   0.381
  211   1HH1  ARG  31          HH11      ARG  31  11.976  -4.324  -2.741
  212   2HH1  ARG  31          HH12      ARG  31  12.938  -5.710  -2.354
  213   1HH2  ARG  31          HH21      ARG  31  13.242  -4.892   1.002
  214   2HH2  ARG  31          HH22      ARG  31  13.651  -6.036  -0.233
  215    H    LYS  32           HN       LYS  32   6.091  -2.637  -0.111
  216    HA   LYS  32           HA       LYS  32   5.022  -3.224  -2.820
  217   1HB   LYS  32           HB2      LYS  32   5.991  -5.244  -1.121
  218   2HB   LYS  32           HB1      LYS  32   4.235  -5.303  -0.955
  219   1HG   LYS  32           HG2      LYS  32   3.983  -6.156  -3.028
  220   2HG   LYS  32           HG1      LYS  32   5.037  -4.928  -3.731
  221   1HD   LYS  32           HD2      LYS  32   7.016  -6.222  -2.936
  222   2HD   LYS  32           HD1      LYS  32   5.926  -7.479  -2.353
  223   1HE   LYS  32           HE2      LYS  32   6.481  -6.641  -5.195
  224   2HE   LYS  32           HE1      LYS  32   6.552  -8.255  -4.488
  225   1HZ   LYS  32           HZ1      LYS  32   4.095  -8.020  -4.111
  226   2HZ   LYS  32           HZ2      LYS  32   4.577  -8.160  -5.734
  227   3HZ   LYS  32           HZ3      LYS  32   4.145  -6.644  -5.102
  228    H    CYS  33           HN       CYS  33   3.196  -1.973  -2.844
  229    HA   CYS  33           HA       CYS  33   1.724  -1.531  -0.317
  230   1HB   CYS  33           HB2      CYS  33   1.760  -0.249  -3.016
  231   2HB   CYS  33           HB1      CYS  33   0.274  -0.137  -2.079
  232    H    LYS  34           HN       LYS  34   0.451  -3.292   0.154
  233    HA   LYS  34           HA       LYS  34  -1.132  -4.525  -2.040
  234   1HB   LYS  34           HB2      LYS  34  -0.013  -5.456   0.480
  235   2HB   LYS  34           HB1      LYS  34  -1.734  -5.829   0.369
  236   1HG   LYS  34           HG2      LYS  34  -0.658  -7.679  -0.656
  237   2HG   LYS  34           HG1      LYS  34  -1.216  -6.687  -2.004
  238   1HD   LYS  34           HD2      LYS  34   0.903  -6.552  -2.746
  239   2HD   LYS  34           HD1      LYS  34   1.339  -5.700  -1.264
  240   1HE   LYS  34           HE2      LYS  34   1.049  -8.637  -1.004
  241   2HE   LYS  34           HE1      LYS  34   2.413  -8.090  -1.979
  242   1HZ   LYS  34           HZ1      LYS  34   1.788  -7.212   0.788
  243   2HZ   LYS  34           HZ2      LYS  34   3.085  -6.649  -0.151
  244   3HZ   LYS  34           HZ3      LYS  34   3.031  -8.275   0.341
  245    H    CYS  35           HN       CYS  35  -3.235  -3.935  -2.298
  246    HA   CYS  35           HA       CYS  35  -4.472  -2.238  -0.204
  247   1HB   CYS  35           HB2      CYS  35  -5.703  -2.892  -2.874
  248   2HB   CYS  35           HB1      CYS  35  -5.931  -1.453  -1.877
  249    H    PHE  36           HN       PHE  36  -6.652  -2.688   0.542
  250    HA   PHE  36           HA       PHE  36  -7.102  -5.421   1.245
  251   1HB   PHE  36           HB2      PHE  36  -8.532  -2.857   1.558
  252   2HB   PHE  36           HB1      PHE  36  -9.580  -4.275   1.509
  253    HD1  PHE  36           HD1      PHE  36 -10.209  -4.726   3.725
  254    HD2  PHE  36           HD2      PHE  36  -6.098  -3.865   2.824
  255    HE1  PHE  36           HE1      PHE  36  -9.581  -5.283   6.060
  256    HE2  PHE  36           HE2      PHE  36  -5.470  -4.422   5.157
  257    HZ   PHE  36           HZ       PHE  36  -7.211  -5.131   6.774
  258    H    GLY  37           HN       GLY  37  -8.862  -3.341  -1.080
  259   1HA   GLY  37           HA2      GLY  37  -9.733  -4.003  -3.194
  260   2HA   GLY  37           HA1      GLY  37  -9.265  -5.666  -2.837
  261    H    ARG  38           HN       ARG  38 -10.697  -5.008  -0.087
  262    HA   ARG  38           HA       ARG  38 -13.292  -6.093  -0.995
  263   1HB   ARG  38           HB2      ARG  38 -12.232  -5.568   1.800
  264   2HB   ARG  38           HB1      ARG  38 -13.727  -6.423   1.414
  265   1HG   ARG  38           HG2      ARG  38 -10.929  -7.272   0.602
  266   2HG   ARG  38           HG1      ARG  38 -11.925  -8.033   1.843
  267   1HD   ARG  38           HD2      ARG  38 -12.550  -7.870  -1.120
  268   2HD   ARG  38           HD1      ARG  38 -12.113  -9.321  -0.216
  269    HE   ARG  38           HE       ARG  38 -14.281  -9.117   0.978
  270   1HH1  ARG  38          HH11      ARG  38 -14.074  -8.434  -2.269
  271   2HH1  ARG  38          HH12      ARG  38 -15.594  -7.611  -2.390
  272   1HH2  ARG  38          HH21      ARG  38 -16.116  -7.510   1.036
  273   2HH2  ARG  38          HH22      ARG  38 -16.751  -7.093  -0.521
  Start of MODEL   11
    1   1H    THR   4           HT1      THR   4   7.870  -2.601  -8.213
    2   2H    THR   4           HT2      THR   4   7.044  -3.846  -9.021
    3   3H    THR   4           HT3      THR   4   7.178  -3.870  -7.328
    4    HA   THR   4           HA       THR   4   5.332  -2.421  -9.023
    5    HB   THR   4           HB       THR   4   5.037  -2.863  -6.078
    6    HG1  THR   4           HG1      THR   4   5.036  -4.961  -6.262
    7   1HG2  THR   4          HG21      THR   4   3.382  -2.377  -8.406
    8   2HG2  THR   4          HG22      THR   4   2.954  -2.285  -6.698
    9   3HG2  THR   4          HG23      THR   4   2.853  -3.825  -7.551
   10    H    ILE   5           HN       ILE   5   4.401  -0.999  -6.491
   11    HA   ILE   5           HA       ILE   5   5.581   1.528  -7.016
   12    HB   ILE   5           HB       ILE   5   4.455   2.165  -4.878
   13   1HG1  ILE   5          HG12      ILE   5   2.934  -0.114  -4.333
   14   2HG1  ILE   5          HG11      ILE   5   4.582  -0.711  -4.521
   15   1HG2  ILE   5          HG21      ILE   5   2.517   0.438  -6.346
   16   2HG2  ILE   5          HG22      ILE   5   3.329   1.724  -7.239
   17   3HG2  ILE   5          HG23      ILE   5   2.347   2.115  -5.826
   18   1HD1  ILE   5          HD11      ILE   5   3.707   1.547  -2.694
   19   2HD1  ILE   5          HD12      ILE   5   5.371   1.003  -2.910
   20   3HD1  ILE   5          HD13      ILE   5   4.179  -0.075  -2.184
   21    H    SER   6           HN       SER   6   6.327   2.641  -4.628
   22    HA   SER   6           HA       SER   6   8.420   0.928  -3.426
   23   1HB   SER   6           HB2      SER   6  10.119   2.774  -3.798
   24   2HB   SER   6           HB1      SER   6   9.653   1.895  -5.251
   25    HG   SER   6           HG       SER   6   9.638   4.368  -5.149
   26    H    CYS   7           HN       CYS   7   7.045   1.196  -1.542
   27    HA   CYS   7           HA       CYS   7   7.150   3.950  -0.379
   28   1HB   CYS   7           HB2      CYS   7   5.194   3.192   1.011
   29   2HB   CYS   7           HB1      CYS   7   4.854   3.254  -0.718
   30    H    THR   8           HN       THR   8   7.212   3.892   2.088
   31    HA   THR   8           HA       THR   8   8.738   1.539   3.103
   32    HB   THR   8           HB       THR   8  10.359   3.311   2.516
   33    HG1  THR   8           HG1      THR   8  10.217   3.508   5.281
   34   1HG2  THR   8          HG21      THR   8   9.875   5.482   2.837
   35   2HG2  THR   8          HG22      THR   8   9.673   5.211   4.568
   36   3HG2  THR   8          HG23      THR   8   8.303   5.002   3.477
   37    H    ASN   9           HN       ASN   9   5.989   3.135   3.393
   38    HA   ASN   9           HA       ASN   9   5.759   2.532   6.272
   39   1HB   ASN   9           HB2      ASN   9   6.412   5.091   5.630
   40   2HB   ASN   9           HB1      ASN   9   4.653   5.185   5.533
   41   1HD2  ASN   9          HD21      ASN   9   7.367   4.820   7.727
   42   2HD2  ASN   9          HD22      ASN   9   6.454   4.805   9.158
   43    H    GLU  10           HN       GLU  10   3.536   2.263   6.911
   44    HA   GLU  10           HA       GLU  10   1.805   1.246   4.884
   45   1HB   GLU  10           HB2      GLU  10   0.099   1.163   6.655
   46   2HB   GLU  10           HB1      GLU  10   1.650   0.591   7.271
   47   1HG   GLU  10           HG2      GLU  10   1.836   3.274   7.778
   48   2HG   GLU  10           HG1      GLU  10   0.109   3.001   8.004
   49    H    LYS  11           HN       LYS  11   2.247   4.450   6.190
   50    HA   LYS  11           HA       LYS  11  -0.272   5.522   5.230
   51   1HB   LYS  11           HB2      LYS  11   0.881   6.652   7.040
   52   2HB   LYS  11           HB1      LYS  11   2.329   6.847   6.053
   53   1HG   LYS  11           HG2      LYS  11   1.320   8.945   5.844
   54   2HG   LYS  11           HG1      LYS  11   0.714   8.110   4.414
   55   1HD   LYS  11           HD2      LYS  11  -0.958   7.608   6.749
   56   2HD   LYS  11           HD1      LYS  11  -0.838   9.329   6.385
   57   1HE   LYS  11           HE2      LYS  11  -1.158   8.243   3.880
   58   2HE   LYS  11           HE1      LYS  11  -2.162   7.182   4.869
   59   1HZ   LYS  11           HZ1      LYS  11  -3.296   9.104   5.752
   60   2HZ   LYS  11           HZ2      LYS  11  -3.389   9.112   4.056
   61   3HZ   LYS  11           HZ3      LYS  11  -2.305  10.148   4.854
   62    H    GLN  12           HN       GLN  12   2.865   4.936   3.821
   63    HA   GLN  12           HA       GLN  12   2.552   6.777   1.599
   64   1HB   GLN  12           HB2      GLN  12   4.418   4.516   2.254
   65   2HB   GLN  12           HB1      GLN  12   4.378   5.161   0.614
   66   1HG   GLN  12           HG2      GLN  12   4.461   7.212   2.738
   67   2HG   GLN  12           HG1      GLN  12   5.904   6.203   2.631
   68   1HE2  GLN  12          HE21      GLN  12   4.853   9.096   1.555
   69   2HE2  GLN  12          HE22      GLN  12   5.589   9.149   0.026
   70    H    CYS  13           HN       CYS  13   0.828   4.057   2.343
   71    HA   CYS  13           HA       CYS  13   0.412   3.429  -0.554
   72   1HB   CYS  13           HB2      CYS  13   1.296   1.658   1.312
   73   2HB   CYS  13           HB1      CYS  13  -0.447   1.423   1.447
   74    H    TYR  14           HN       TYR  14  -0.939   5.055   1.934
   75    HA   TYR  14           HA       TYR  14  -3.676   4.071   1.779
   76   1HB   TYR  14           HB2      TYR  14  -2.223   6.189   3.218
   77   2HB   TYR  14           HB1      TYR  14  -3.875   6.625   2.776
   78    HD1  TYR  14           HD1      TYR  14  -2.734   3.158   3.396
   79    HD2  TYR  14           HD2      TYR  14  -4.829   6.550   4.993
   80    HE1  TYR  14           HE1      TYR  14  -3.611   1.751   5.242
   81    HE2  TYR  14           HE2      TYR  14  -5.704   5.144   6.838
   82    HH   TYR  14           HH       TYR  14  -5.039   3.034   8.013
   83    HA   PRO  15           HA       PRO  15  -4.255   7.950  -0.954
   84   1HB   PRO  15           HB2      PRO  15  -1.986   9.276  -1.765
   85   2HB   PRO  15           HB1      PRO  15  -2.882   9.671  -0.288
   86   1HG   PRO  15           HG2      PRO  15  -0.275   8.255  -0.579
   87   2HG   PRO  15           HG1      PRO  15  -0.895   9.196   0.788
   88   1HD   PRO  15           HD2      PRO  15  -0.829   6.373   0.607
   89   2HD   PRO  15           HD1      PRO  15  -1.726   7.321   1.812
   90    H    HIS  16           HN       HIS  16  -1.555   5.802  -1.568
   91    HA   HIS  16           HA       HIS  16  -1.673   6.123  -4.469
   92   1HB   HIS  16           HB2      HIS  16   0.393   5.250  -4.229
   93   2HB   HIS  16           HB1      HIS  16   0.070   4.859  -2.546
   94    HD1  HIS  16           HD1      HIS  16   0.662   3.311  -5.789
   95    HD2  HIS  16           HD2      HIS  16  -1.305   2.214  -2.281
   96    HE1  HIS  16           HE1      HIS  16   0.352   0.799  -5.897
   97    H    CYS  17           HN       CYS  17  -2.680   3.574  -2.158
   98    HA   CYS  17           HA       CYS  17  -4.002   2.061  -4.281
   99   1HB   CYS  17           HB2      CYS  17  -3.468   1.723  -1.400
  100   2HB   CYS  17           HB1      CYS  17  -5.000   1.040  -1.945
  101    H    LYS  18           HN       LYS  18  -5.157   3.925  -1.440
  102    HA   LYS  18           HA       LYS  18  -7.898   3.654  -1.773
  103   1HB   LYS  18           HB2      LYS  18  -6.874   5.004   0.031
  104   2HB   LYS  18           HB1      LYS  18  -6.443   6.243  -1.149
  105   1HG   LYS  18           HG2      LYS  18  -8.560   7.060  -1.239
  106   2HG   LYS  18           HG1      LYS  18  -9.277   5.448  -1.241
  107   1HD   LYS  18           HD2      LYS  18  -9.962   6.092   0.852
  108   2HD   LYS  18           HD1      LYS  18  -8.356   5.507   1.288
  109   1HE   LYS  18           HE2      LYS  18  -8.155   8.220   0.350
  110   2HE   LYS  18           HE1      LYS  18  -9.379   8.128   1.616
  111   1HZ   LYS  18           HZ1      LYS  18  -7.698   6.818   2.918
  112   2HZ   LYS  18           HZ2      LYS  18  -7.331   8.462   2.693
  113   3HZ   LYS  18           HZ3      LYS  18  -6.546   7.278   1.762
  114    H    LYS  19           HN       LYS  19  -5.656   5.531  -3.721
  115    HA   LYS  19           HA       LYS  19  -7.775   6.835  -5.256
  116   1HB   LYS  19           HB2      LYS  19  -5.600   7.929  -5.024
  117   2HB   LYS  19           HB1      LYS  19  -4.800   6.548  -5.776
  118   1HG   LYS  19           HG2      LYS  19  -6.952   7.430  -7.469
  119   2HG   LYS  19           HG1      LYS  19  -5.922   8.807  -7.073
  120   1HD   LYS  19           HD2      LYS  19  -4.203   6.603  -7.589
  121   2HD   LYS  19           HD1      LYS  19  -5.391   6.653  -8.893
  122   1HE   LYS  19           HE2      LYS  19  -4.844   8.920  -9.429
  123   2HE   LYS  19           HE1      LYS  19  -3.894   9.109  -7.954
  124   1HZ   LYS  19           HZ1      LYS  19  -3.171   7.893 -10.474
  125   2HZ   LYS  19           HZ2      LYS  19  -2.713   6.997  -9.104
  126   3HZ   LYS  19           HZ3      LYS  19  -2.187   8.603  -9.288
  127    H    GLU  20           HN       GLU  20  -5.516   4.127  -5.791
  128    HA   GLU  20           HA       GLU  20  -6.281   3.521  -8.452
  129   1HB   GLU  20           HB2      GLU  20  -4.601   2.393  -6.518
  130   2HB   GLU  20           HB1      GLU  20  -5.768   1.124  -6.891
  131   1HG   GLU  20           HG2      GLU  20  -4.449   2.686  -9.102
  132   2HG   GLU  20           HG1      GLU  20  -3.634   1.304  -8.369
  133    H    THR  21           HN       THR  21  -8.019   3.053  -5.477
  134    HA   THR  21           HA       THR  21 -10.261   1.920  -7.030
  135    HB   THR  21           HB       THR  21  -9.434  -0.160  -6.385
  136    HG1  THR  21           HG1      THR  21 -10.792   0.477  -4.004
  137   1HG2  THR  21          HG21      THR  21  -8.778  -0.009  -3.645
  138   2HG2  THR  21          HG22      THR  21  -8.055   1.413  -4.394
  139   3HG2  THR  21          HG23      THR  21  -7.664  -0.196  -4.999
  140    H    GLY  22           HN       GLY  22  -9.201   2.713  -3.688
  141   1HA   GLY  22           HA2      GLY  22 -10.571   4.823  -2.905
  142   2HA   GLY  22           HA1      GLY  22 -11.945   3.756  -3.182
  143    H    TYR  23           HN       TYR  23  -9.690   1.647  -2.249
  144    HA   TYR  23           HA       TYR  23 -10.614   1.739   0.564
  145   1HB   TYR  23           HB2      TYR  23  -9.619  -0.360  -1.290
  146   2HB   TYR  23           HB1      TYR  23  -9.239  -0.569   0.419
  147    HD1  TYR  23           HD1      TYR  23 -12.228   0.995  -1.196
  148    HD2  TYR  23           HD2      TYR  23 -10.713  -2.234   1.200
  149    HE1  TYR  23           HE1      TYR  23 -14.545   0.223  -0.769
  150    HE2  TYR  23           HE2      TYR  23 -13.030  -3.006   1.626
  151    HH   TYR  23           HH       TYR  23 -15.299  -2.092   1.626
  152    HA   PRO  24           HA       PRO  24  -6.515   3.301   1.518
  153   1HB   PRO  24           HB2      PRO  24  -7.093   3.838   4.153
  154   2HB   PRO  24           HB1      PRO  24  -7.535   4.917   2.819
  155   1HG   PRO  24           HG2      PRO  24  -9.275   3.100   4.419
  156   2HG   PRO  24           HG1      PRO  24  -9.700   4.588   3.560
  157   1HD   PRO  24           HD2      PRO  24 -10.199   1.953   2.655
  158   2HD   PRO  24           HD1      PRO  24 -10.313   3.433   1.677
  159    H    ASN  25           HN       ASN  25  -8.284   0.676   2.928
  160    HA   ASN  25           HA       ASN  25  -6.407  -0.237   4.866
  161   1HB   ASN  25           HB2      ASN  25  -8.193  -1.983   3.150
  162   2HB   ASN  25           HB1      ASN  25  -7.562  -2.352   4.756
  163   1HD2  ASN  25          HD21      ASN  25 -10.168  -0.844   3.053
  164   2HD2  ASN  25          HD22      ASN  25 -10.948  -0.175   4.403
  165    H    ALA  26           HN       ALA  26  -4.301  -0.055   3.987
  166    HA   ALA  26           HA       ALA  26  -3.602  -2.261   2.123
  167   1HB   ALA  26           HB1      ALA  26  -2.780   0.642   1.795
  168   2HB   ALA  26           HB2      ALA  26  -3.764  -0.308   0.680
  169   3HB   ALA  26           HB3      ALA  26  -2.059  -0.697   0.903
  170    H    LYS  27           HN       LYS  27  -1.341  -2.915   2.345
  171    HA   LYS  27           HA       LYS  27  -0.053  -1.833   4.820
  172   1HB   LYS  27           HB2      LYS  27   0.895  -4.324   4.856
  173   2HB   LYS  27           HB1      LYS  27  -0.656  -3.924   5.594
  174   1HG   LYS  27           HG2      LYS  27  -1.803  -4.561   3.485
  175   2HG   LYS  27           HG1      LYS  27  -0.245  -5.020   2.796
  176   1HD   LYS  27           HD2      LYS  27  -1.448  -6.222   5.307
  177   2HD   LYS  27           HD1      LYS  27  -1.473  -6.979   3.713
  178   1HE   LYS  27           HE2      LYS  27   1.182  -6.373   3.967
  179   2HE   LYS  27           HE1      LYS  27   0.750  -6.726   5.640
  180   1HZ   LYS  27           HZ1      LYS  27   0.844  -8.488   3.339
  181   2HZ   LYS  27           HZ2      LYS  27  -0.488  -8.712   4.371
  182   3HZ   LYS  27           HZ3      LYS  27   1.093  -8.832   4.982
  183    H    CYS  28           HN       CYS  28   1.868  -0.923   4.337
  184    HA   CYS  28           HA       CYS  28   3.279  -1.789   1.860
  185   1HB   CYS  28           HB2      CYS  28   2.894   0.594   1.955
  186   2HB   CYS  28           HB1      CYS  28   3.527   0.682   3.599
  187    H    MET  29           HN       MET  29   4.298  -3.687   2.694
  188    HA   MET  29           HA       MET  29   6.421  -3.114   4.722
  189   1HB   MET  29           HB2      MET  29   4.251  -4.957   4.917
  190   2HB   MET  29           HB1      MET  29   5.739  -5.891   4.759
  191   1HG   MET  29           HG2      MET  29   6.423  -5.323   6.831
  192   2HG   MET  29           HG1      MET  29   6.075  -3.616   6.552
  193   1HE   MET  29           HE1      MET  29   5.026  -6.966   7.108
  194   2HE   MET  29           HE2      MET  29   3.266  -6.918   7.063
  195   3HE   MET  29           HE3      MET  29   4.101  -6.879   8.614
  196    H    ASN  30           HN       ASN  30   8.453  -3.841   4.187
  197    HA   ASN  30           HA       ASN  30  10.175  -4.676   2.831
  198   1HB   ASN  30           HB2      ASN  30   8.292  -6.751   3.194
  199   2HB   ASN  30           HB1      ASN  30   8.723  -6.779   1.485
  200   1HD2  ASN  30          HD21      ASN  30  10.222  -8.502   1.407
  201   2HD2  ASN  30          HD22      ASN  30  11.633  -8.573   2.348
  202    H    ARG  31           HN       ARG  31   9.081  -2.507   1.691
  203    HA   ARG  31           HA       ARG  31   8.513  -1.465  -0.352
  204   1HB   ARG  31           HB2      ARG  31  10.680  -3.437  -0.829
  205   2HB   ARG  31           HB1      ARG  31   9.871  -2.819  -2.268
  206   1HG   ARG  31           HG2      ARG  31  10.201  -0.480  -1.181
  207   2HG   ARG  31           HG1      ARG  31  11.396  -1.290  -0.167
  208   1HD   ARG  31           HD2      ARG  31  12.868  -0.970  -1.848
  209   2HD   ARG  31           HD1      ARG  31  11.971  -2.199  -2.740
  210    HE   ARG  31           HE       ARG  31  10.681   0.345  -3.056
  211   1HH1  ARG  31          HH11      ARG  31  13.534   1.126  -3.501
  212   2HH1  ARG  31          HH12      ARG  31  13.738   0.820  -5.194
  213   1HH2  ARG  31          HH21      ARG  31  10.910  -1.172  -5.442
  214   2HH2  ARG  31          HH22      ARG  31  12.254  -0.484  -6.292
  215    H    LYS  32           HN       LYS  32   6.736  -3.703   0.511
  216    HA   LYS  32           HA       LYS  32   5.675  -4.387  -2.199
  217   1HB   LYS  32           HB2      LYS  32   6.682  -6.206  -0.278
  218   2HB   LYS  32           HB1      LYS  32   4.926  -6.372  -0.246
  219   1HG   LYS  32           HG2      LYS  32   6.077  -6.156  -2.953
  220   2HG   LYS  32           HG1      LYS  32   6.554  -7.606  -2.069
  221   1HD   LYS  32           HD2      LYS  32   4.554  -8.509  -2.557
  222   2HD   LYS  32           HD1      LYS  32   3.791  -7.256  -1.579
  223   1HE   LYS  32           HE2      LYS  32   2.765  -6.858  -3.620
  224   2HE   LYS  32           HE1      LYS  32   4.165  -5.795  -3.764
  225   1HZ   LYS  32           HZ1      LYS  32   3.499  -7.733  -5.520
  226   2HZ   LYS  32           HZ2      LYS  32   4.677  -8.508  -4.572
  227   3HZ   LYS  32           HZ3      LYS  32   5.045  -7.051  -5.364
  228    H    CYS  33           HN       CYS  33   3.838  -3.193  -2.345
  229    HA   CYS  33           HA       CYS  33   2.224  -2.644   0.063
  230   1HB   CYS  33           HB2      CYS  33   2.469  -1.524  -2.648
  231   2HB   CYS  33           HB1      CYS  33   0.809  -1.617  -2.061
  232    H    LYS  34           HN       LYS  34   0.418  -3.765   0.584
  233    HA   LYS  34           HA       LYS  34  -0.855  -5.464  -1.515
  234   1HB   LYS  34           HB2      LYS  34   0.627  -6.651   0.321
  235   2HB   LYS  34           HB1      LYS  34  -0.780  -6.368   1.348
  236   1HG   LYS  34           HG2      LYS  34  -1.064  -8.539   0.350
  237   2HG   LYS  34           HG1      LYS  34  -2.189  -7.448  -0.460
  238   1HD   LYS  34           HD2      LYS  34   0.318  -7.317  -1.829
  239   2HD   LYS  34           HD1      LYS  34  -0.111  -9.016  -1.633
  240   1HE   LYS  34           HE2      LYS  34  -1.517  -8.767  -3.379
  241   2HE   LYS  34           HE1      LYS  34  -2.514  -7.753  -2.335
  242   1HZ   LYS  34           HZ1      LYS  34  -1.534  -6.857  -4.583
  243   2HZ   LYS  34           HZ2      LYS  34  -0.177  -6.538  -3.611
  244   3HZ   LYS  34           HZ3      LYS  34  -1.683  -5.850  -3.227
  245    H    CYS  35           HN       CYS  35  -2.594  -4.030  -1.790
  246    HA   CYS  35           HA       CYS  35  -4.105  -3.219   0.633
  247   1HB   CYS  35           HB2      CYS  35  -4.800  -2.392  -2.174
  248   2HB   CYS  35           HB1      CYS  35  -5.067  -1.519  -0.664
  249    H    PHE  36           HN       PHE  36  -6.333  -3.724   0.857
  250    HA   PHE  36           HA       PHE  36  -7.105  -6.267  -0.376
  251   1HB   PHE  36           HB2      PHE  36  -8.638  -4.453   1.512
  252   2HB   PHE  36           HB1      PHE  36  -9.078  -6.108   1.089
  253    HD1  PHE  36           HD1      PHE  36  -7.713  -4.288   3.643
  254    HD2  PHE  36           HD2      PHE  36  -6.780  -7.709   1.216
  255    HE1  PHE  36           HE1      PHE  36  -6.215  -5.144   5.424
  256    HE2  PHE  36           HE2      PHE  36  -5.283  -8.565   2.998
  257    HZ   PHE  36           HZ       PHE  36  -5.001  -7.282   5.102
  258    H    GLY  37           HN       GLY  37  -8.989  -3.253  -0.013
  259   1HA   GLY  37           HA2      GLY  37 -10.224  -2.061  -1.634
  260   2HA   GLY  37           HA1      GLY  37  -9.464  -3.050  -2.878
  261    H    ARG  38           HN       ARG  38 -10.608  -5.240  -0.731
  262    HA   ARG  38           HA       ARG  38 -12.996  -5.739  -2.395
  263   1HB   ARG  38           HB2      ARG  38 -11.306  -7.538  -1.699
  264   2HB   ARG  38           HB1      ARG  38 -12.006  -7.419  -0.084
  265   1HG   ARG  38           HG2      ARG  38 -13.637  -8.823  -0.741
  266   2HG   ARG  38           HG1      ARG  38 -14.189  -7.588  -1.873
  267   1HD   ARG  38           HD2      ARG  38 -12.548  -8.436  -3.547
  268   2HD   ARG  38           HD1      ARG  38 -12.104  -9.720  -2.422
  269    HE   ARG  38           HE       ARG  38 -14.204  -9.997  -4.185
  270   1HH1  ARG  38          HH21      ARG  38 -13.384 -11.028  -1.135
  271   2HH1  ARG  38          HH22      ARG  38 -14.988 -11.459  -0.641
  272   1HH2  ARG  38          HH11      ARG  38 -16.513 -10.005  -3.393
  273   2HH2  ARG  38          HH12      ARG  38 -16.759 -10.874  -1.915
  Start of MODEL   12
    1   1H    THR   4           HT1      THR   4   6.173  -4.174  -5.868
    2   2H    THR   4           HT2      THR   4   7.368  -2.967  -5.895
    3   3H    THR   4           HT3      THR   4   7.095  -3.926  -7.271
    4    HA   THR   4           HA       THR   4   5.624  -2.484  -8.024
    5    HB   THR   4           HB       THR   4   4.208  -2.669  -5.354
    6    HG1  THR   4           HG1      THR   4   3.081  -4.378  -6.736
    7   1HG2  THR   4          HG21      THR   4   3.655  -1.205  -7.640
    8   2HG2  THR   4          HG22      THR   4   2.483  -1.652  -6.401
    9   3HG2  THR   4          HG23      THR   4   2.666  -2.651  -7.843
   10    H    ILE   5           HN       ILE   5   4.320  -0.806  -5.474
   11    HA   ILE   5           HA       ILE   5   5.614   1.623  -6.067
   12    HB   ILE   5           HB       ILE   5   4.707   1.182  -3.272
   13   1HG1  ILE   5          HG12      ILE   5   3.018  -0.097  -4.432
   14   2HG1  ILE   5          HG11      ILE   5   2.325   1.482  -4.075
   15   1HG2  ILE   5          HG21      ILE   5   3.460   3.376  -4.070
   16   2HG2  ILE   5          HG22      ILE   5   4.682   3.336  -5.341
   17   3HG2  ILE   5          HG23      ILE   5   5.172   3.415  -3.649
   18   1HD1  ILE   5          HD11      ILE   5   1.842   0.822  -6.399
   19   2HD1  ILE   5          HD12      ILE   5   3.570   0.677  -6.718
   20   3HD1  ILE   5          HD13      ILE   5   2.871   2.252  -6.348
   21    H    SER   6           HN       SER   6   7.098   2.872  -4.611
   22    HA   SER   6           HA       SER   6   9.187   1.047  -3.504
   23   1HB   SER   6           HB2      SER   6   9.247   3.696  -4.872
   24   2HB   SER   6           HB1      SER   6  10.450   3.416  -3.616
   25    HG   SER   6           HG       SER   6  10.646   1.275  -4.843
   26    H    CYS   7           HN       CYS   7   6.943   1.513  -1.908
   27    HA   CYS   7           HA       CYS   7   7.675   3.673  -0.020
   28   1HB   CYS   7           HB2      CYS   7   5.543   3.115   1.083
   29   2HB   CYS   7           HB1      CYS   7   5.301   3.384  -0.643
   30    H    THR   8           HN       THR   8   7.583   3.079   2.358
   31    HA   THR   8           HA       THR   8   8.523   0.312   2.909
   32    HB   THR   8           HB       THR   8  10.566   1.639   2.623
   33    HG1  THR   8           HG1      THR   8  11.079   1.608   5.082
   34   1HG2  THR   8          HG21      THR   8   9.010   3.563   4.266
   35   2HG2  THR   8          HG22      THR   8  10.173   3.866   2.975
   36   3HG2  THR   8          HG23      THR   8  10.740   3.470   4.596
   37    H    ASN   9           HN       ASN   9   6.198   2.348   3.467
   38    HA   ASN   9           HA       ASN   9   5.767   1.431   6.231
   39   1HB   ASN   9           HB2      ASN   9   6.936   3.902   5.900
   40   2HB   ASN   9           HB1      ASN   9   5.223   4.313   5.957
   41   1HD2  ASN   9          HD21      ASN   9   5.038   5.100   8.101
   42   2HD2  ASN   9          HD22      ASN   9   5.428   4.184   9.476
   43    H    GLU  10           HN       GLU  10   3.566   1.234   6.665
   44    HA   GLU  10           HA       GLU  10   1.721   1.104   4.526
   45   1HB   GLU  10           HB2      GLU  10   1.623   0.201   7.012
   46   2HB   GLU  10           HB1      GLU  10   0.752   1.708   7.296
   47   1HG   GLU  10           HG2      GLU  10  -0.295   0.602   4.902
   48   2HG   GLU  10           HG1      GLU  10  -0.205  -0.714   6.072
   49    H    LYS  11           HN       LYS  11   2.890   3.857   6.212
   50    HA   LYS  11           HA       LYS  11   0.605   5.574   5.970
   51   1HB   LYS  11           HB2      LYS  11   2.769   5.939   7.331
   52   2HB   LYS  11           HB1      LYS  11   3.469   6.518   5.819
   53   1HG   LYS  11           HG2      LYS  11   2.135   8.400   5.756
   54   2HG   LYS  11           HG1      LYS  11   0.815   7.624   6.632
   55   1HD   LYS  11           HD2      LYS  11   2.745   7.587   8.543
   56   2HD   LYS  11           HD1      LYS  11   3.191   9.057   7.677
   57   1HE   LYS  11           HE2      LYS  11   0.364   9.086   7.939
   58   2HE   LYS  11           HE1      LYS  11   1.020   8.657   9.519
   59   1HZ   LYS  11           HZ1      LYS  11   1.070  10.944   9.561
   60   2HZ   LYS  11           HZ2      LYS  11   1.475  11.084   7.917
   61   3HZ   LYS  11           HZ3      LYS  11   2.644  10.585   9.044
   62    H    GLN  12           HN       GLN  12   3.441   5.086   3.848
   63    HA   GLN  12           HA       GLN  12   2.461   6.953   1.847
   64   1HB   GLN  12           HB2      GLN  12   4.628   4.840   1.766
   65   2HB   GLN  12           HB1      GLN  12   4.307   5.972   0.452
   66   1HG   GLN  12           HG2      GLN  12   5.544   7.532   1.493
   67   2HG   GLN  12           HG1      GLN  12   4.451   7.471   2.876
   68   1HE2  GLN  12          HE21      GLN  12   7.256   7.863   3.248
   69   2HE2  GLN  12          HE22      GLN  12   7.897   6.489   4.010
   70    H    CYS  13           HN       CYS  13   1.151   4.098   2.697
   71    HA   CYS  13           HA       CYS  13   0.529   3.331  -0.131
   72   1HB   CYS  13           HB2      CYS  13   1.602   1.698   1.674
   73   2HB   CYS  13           HB1      CYS  13  -0.075   1.533   2.187
   74    H    TYR  14           HN       TYR  14  -0.727   5.084   2.357
   75    HA   TYR  14           HA       TYR  14  -3.438   4.026   2.415
   76   1HB   TYR  14           HB2      TYR  14  -1.965   6.252   3.650
   77   2HB   TYR  14           HB1      TYR  14  -3.659   6.609   3.311
   78    HD1  TYR  14           HD1      TYR  14  -1.379   4.982   5.531
   79    HD2  TYR  14           HD2      TYR  14  -5.407   4.832   4.045
   80    HE1  TYR  14           HE1      TYR  14  -2.053   3.627   7.496
   81    HE2  TYR  14           HE2      TYR  14  -6.080   3.476   6.010
   82    HH   TYR  14           HH       TYR  14  -3.817   2.034   8.109
   83    HA   PRO  15           HA       PRO  15  -4.405   7.780  -0.382
   84   1HB   PRO  15           HB2      PRO  15  -2.278   9.230  -1.345
   85   2HB   PRO  15           HB1      PRO  15  -3.107   9.600   0.177
   86   1HG   PRO  15           HG2      PRO  15  -0.449   8.302  -0.250
   87   2HG   PRO  15           HG1      PRO  15  -1.012   9.283   1.114
   88   1HD   PRO  15           HD2      PRO  15  -0.819   6.477   1.097
   89   2HD   PRO  15           HD1      PRO  15  -1.747   7.440   2.265
   90    H    HIS  16           HN       HIS  16  -1.530   5.892  -1.116
   91    HA   HIS  16           HA       HIS  16  -1.878   6.100  -4.003
   92   1HB   HIS  16           HB2      HIS  16   0.307   5.569  -3.775
   93   2HB   HIS  16           HB1      HIS  16   0.069   4.970  -2.139
   94    HD1  HIS  16           HD1      HIS  16  -0.488   3.795  -5.729
   95    HD2  HIS  16           HD2      HIS  16   0.280   2.238  -1.944
   96    HE1  HIS  16           HE1      HIS  16  -0.164   1.301  -6.036
   97    H    CYS  17           HN       CYS  17  -2.521   3.547  -1.559
   98    HA   CYS  17           HA       CYS  17  -3.673   1.761  -3.545
   99   1HB   CYS  17           HB2      CYS  17  -3.245   1.748  -0.630
  100   2HB   CYS  17           HB1      CYS  17  -4.697   0.898  -1.154
  101    H    LYS  18           HN       LYS  18  -4.891   4.372  -1.571
  102    HA   LYS  18           HA       LYS  18  -7.649   3.704  -1.523
  103   1HB   LYS  18           HB2      LYS  18  -6.722   5.599  -0.256
  104   2HB   LYS  18           HB1      LYS  18  -6.372   6.446  -1.764
  105   1HG   LYS  18           HG2      LYS  18  -8.843   6.273  -2.314
  106   2HG   LYS  18           HG1      LYS  18  -9.093   5.701  -0.664
  107   1HD   LYS  18           HD2      LYS  18  -7.439   8.072  -0.650
  108   2HD   LYS  18           HD1      LYS  18  -8.937   8.383  -1.526
  109   1HE   LYS  18           HE2      LYS  18  -9.047   6.927   1.097
  110   2HE   LYS  18           HE1      LYS  18  -8.873   8.682   1.089
  111   1HZ   LYS  18           HZ1      LYS  18 -10.847   7.907  -0.769
  112   2HZ   LYS  18           HZ2      LYS  18 -11.006   8.895   0.604
  113   3HZ   LYS  18           HZ3      LYS  18 -11.197   7.212   0.738
  114    H    LYS  19           HN       LYS  19  -5.779   5.496  -3.985
  115    HA   LYS  19           HA       LYS  19  -8.117   5.717  -5.730
  116   1HB   LYS  19           HB2      LYS  19  -5.498   6.877  -5.588
  117   2HB   LYS  19           HB1      LYS  19  -5.713   6.166  -7.188
  118   1HG   LYS  19           HG2      LYS  19  -7.228   7.732  -7.791
  119   2HG   LYS  19           HG1      LYS  19  -8.097   7.589  -6.262
  120   1HD   LYS  19           HD2      LYS  19  -5.709   8.811  -5.534
  121   2HD   LYS  19           HD1      LYS  19  -6.098   9.561  -7.083
  122   1HE   LYS  19           HE2      LYS  19  -8.288   9.240  -5.065
  123   2HE   LYS  19           HE1      LYS  19  -7.105  10.525  -4.824
  124   1HZ   LYS  19           HZ1      LYS  19  -7.962  11.703  -6.486
  125   2HZ   LYS  19           HZ2      LYS  19  -9.297  10.653  -6.430
  126   3HZ   LYS  19           HZ3      LYS  19  -8.033  10.366  -7.528
  127    H    GLU  20           HN       GLU  20  -5.333   3.585  -5.411
  128    HA   GLU  20           HA       GLU  20  -5.369   2.308  -7.919
  129   1HB   GLU  20           HB2      GLU  20  -3.657   1.809  -6.249
  130   2HB   GLU  20           HB1      GLU  20  -4.870   1.099  -5.183
  131   1HG   GLU  20           HG2      GLU  20  -3.990  -0.795  -6.229
  132   2HG   GLU  20           HG1      GLU  20  -5.388  -0.441  -7.245
  133    H    THR  21           HN       THR  21  -7.649   2.088  -5.279
  134    HA   THR  21           HA       THR  21  -9.354   0.363  -6.991
  135    HB   THR  21           HB       THR  21  -8.565  -1.372  -5.662
  136    HG1  THR  21           HG1      THR  21 -10.811  -1.146  -5.332
  137   1HG2  THR  21          HG21      THR  21  -8.523  -0.501  -2.988
  138   2HG2  THR  21          HG22      THR  21  -7.791   0.806  -3.917
  139   3HG2  THR  21          HG23      THR  21  -7.131  -0.825  -4.019
  140    H    GLY  22           HN       GLY  22  -9.346   1.802  -3.703
  141   1HA   GLY  22           HA2      GLY  22 -11.117   3.888  -4.085
  142   2HA   GLY  22           HA1      GLY  22 -12.169   2.481  -3.913
  143    H    TYR  23           HN       TYR  23 -10.378   1.090  -2.066
  144    HA   TYR  23           HA       TYR  23 -11.131   2.575   0.375
  145   1HB   TYR  23           HB2      TYR  23  -9.855  -0.164   0.171
  146   2HB   TYR  23           HB1      TYR  23 -10.723   0.513   1.549
  147    HD1  TYR  23           HD1      TYR  23 -11.306  -2.097  -0.119
  148    HD2  TYR  23           HD2      TYR  23 -12.902   1.891  -0.166
  149    HE1  TYR  23           HE1      TYR  23 -13.444  -2.962  -1.030
  150    HE2  TYR  23           HE2      TYR  23 -15.039   1.025  -1.076
  151    HH   TYR  23           HH       TYR  23 -15.708  -2.385  -1.263
  152    HA   PRO  24           HA       PRO  24  -6.979   3.969   0.932
  153   1HB   PRO  24           HB2      PRO  24  -7.267   4.829   3.527
  154   2HB   PRO  24           HB1      PRO  24  -7.882   5.723   2.127
  155   1HG   PRO  24           HG2      PRO  24  -9.389   4.114   4.134
  156   2HG   PRO  24           HG1      PRO  24  -9.942   5.473   3.142
  157   1HD   PRO  24           HD2      PRO  24 -10.466   2.731   2.649
  158   2HD   PRO  24           HD1      PRO  24 -10.739   4.069   1.514
  159    H    ASN  25           HN       ASN  25  -8.470   1.470   2.798
  160    HA   ASN  25           HA       ASN  25  -6.350   0.850   4.612
  161   1HB   ASN  25           HB2      ASN  25  -8.110  -1.257   3.370
  162   2HB   ASN  25           HB1      ASN  25  -7.493  -1.166   5.021
  163   1HD2  ASN  25          HD21      ASN  25  -8.567   0.314   6.518
  164   2HD2  ASN  25          HD22      ASN  25 -10.094   0.967   6.167
  165    H    ALA  26           HN       ALA  26  -4.298   0.372   3.995
  166    HA   ALA  26           HA       ALA  26  -3.888  -1.662   1.888
  167   1HB   ALA  26           HB1      ALA  26  -3.869   0.604   0.773
  168   2HB   ALA  26           HB2      ALA  26  -2.365  -0.302   0.598
  169   3HB   ALA  26           HB3      ALA  26  -2.473   1.015   1.768
  170    H    LYS  27           HN       LYS  27  -1.505  -2.297   1.823
  171    HA   LYS  27           HA       LYS  27  -0.167  -1.785   4.444
  172   1HB   LYS  27           HB2      LYS  27   0.555  -4.249   4.311
  173   2HB   LYS  27           HB1      LYS  27  -1.125  -3.942   4.755
  174   1HG   LYS  27           HG2      LYS  27  -1.921  -4.886   2.853
  175   2HG   LYS  27           HG1      LYS  27  -0.686  -4.118   1.853
  176   1HD   LYS  27           HD2      LYS  27  -0.480  -6.609   1.899
  177   2HD   LYS  27           HD1      LYS  27   0.956  -5.791   2.520
  178   1HE   LYS  27           HE2      LYS  27   0.716  -6.777   4.529
  179   2HE   LYS  27           HE1      LYS  27  -0.949  -6.212   4.655
  180   1HZ   LYS  27           HZ1      LYS  27  -0.766  -8.293   2.753
  181   2HZ   LYS  27           HZ2      LYS  27  -1.680  -8.233   4.185
  182   3HZ   LYS  27           HZ3      LYS  27  -0.080  -8.803   4.218
  183    H    CYS  28           HN       CYS  28   2.006  -1.362   4.231
  184    HA   CYS  28           HA       CYS  28   3.243  -1.945   1.570
  185   1HB   CYS  28           HB2      CYS  28   2.934   0.432   1.690
  186   2HB   CYS  28           HB1      CYS  28   3.544   0.493   3.342
  187    H    MET  29           HN       MET  29   4.157  -3.901   2.395
  188    HA   MET  29           HA       MET  29   6.329  -3.455   4.406
  189   1HB   MET  29           HB2      MET  29   5.905  -6.166   4.476
  190   2HB   MET  29           HB1      MET  29   5.199  -5.019   5.613
  191   1HG   MET  29           HG2      MET  29   3.201  -4.822   4.163
  192   2HG   MET  29           HG1      MET  29   3.904  -5.995   3.049
  193   1HE   MET  29           HE1      MET  29   3.338  -5.435   6.870
  194   2HE   MET  29           HE2      MET  29   2.105  -6.652   7.191
  195   3HE   MET  29           HE3      MET  29   1.775  -5.354   6.046
  196    H    ASN  30           HN       ASN  30   8.370  -4.127   3.796
  197    HA   ASN  30           HA       ASN  30  10.075  -4.855   2.356
  198   1HB   ASN  30           HB2      ASN  30   8.558  -7.005   2.705
  199   2HB   ASN  30           HB1      ASN  30   8.160  -6.728   1.010
  200   1HD2  ASN  30          HD21      ASN  30   9.913  -6.894  -0.576
  201   2HD2  ASN  30          HD22      ASN  30  11.382  -7.649  -0.181
  202    H    ARG  31           HN       ARG  31   8.661  -2.572   1.551
  203    HA   ARG  31           HA       ARG  31   8.187  -1.267  -0.345
  204   1HB   ARG  31           HB2      ARG  31  10.097  -3.296  -1.549
  205   2HB   ARG  31           HB1      ARG  31   9.609  -1.789  -2.329
  206   1HG   ARG  31           HG2      ARG  31  10.505  -0.519  -0.390
  207   2HG   ARG  31           HG1      ARG  31  11.050  -2.035   0.328
  208   1HD   ARG  31           HD2      ARG  31  11.997  -2.003  -2.349
  209   2HD   ARG  31           HD1      ARG  31  12.364  -0.425  -1.655
  210    HE   ARG  31           HE       ARG  31  13.147  -2.938  -0.240
  211   1HH1  ARG  31          HH11      ARG  31  14.745  -1.354  -2.499
  212   2HH1  ARG  31          HH12      ARG  31  15.940  -0.602  -1.496
  213   1HH2  ARG  31          HH21      ARG  31  14.286  -1.319   1.467
  214   2HH2  ARG  31          HH22      ARG  31  15.681  -0.583   0.750
  215    H    LYS  32           HN       LYS  32   6.481  -3.639   0.250
  216    HA   LYS  32           HA       LYS  32   5.432  -4.097  -2.517
  217   1HB   LYS  32           HB2      LYS  32   6.235  -5.999  -0.541
  218   2HB   LYS  32           HB1      LYS  32   4.483  -6.103  -0.707
  219   1HG   LYS  32           HG2      LYS  32   4.801  -6.221  -3.204
  220   2HG   LYS  32           HG1      LYS  32   6.540  -6.327  -2.922
  221   1HD   LYS  32           HD2      LYS  32   4.652  -8.222  -1.536
  222   2HD   LYS  32           HD1      LYS  32   5.191  -8.542  -3.185
  223   1HE   LYS  32           HE2      LYS  32   7.546  -7.869  -1.909
  224   2HE   LYS  32           HE1      LYS  32   6.675  -8.760  -0.661
  225   1HZ   LYS  32           HZ1      LYS  32   6.398 -10.040  -3.170
  226   2HZ   LYS  32           HZ2      LYS  32   7.048 -10.649  -1.723
  227   3HZ   LYS  32           HZ3      LYS  32   8.041  -9.811  -2.818
  228    H    CYS  33           HN       CYS  33   3.631  -2.825  -2.696
  229    HA   CYS  33           HA       CYS  33   1.970  -2.348  -0.289
  230   1HB   CYS  33           HB2      CYS  33   2.449  -0.932  -2.819
  231   2HB   CYS  33           HB1      CYS  33   0.753  -0.969  -2.335
  232    H    LYS  34           HN       LYS  34  -0.236  -2.860  -0.213
  233    HA   LYS  34           HA       LYS  34  -1.393  -4.423  -2.446
  234   1HB   LYS  34           HB2      LYS  34  -0.195  -5.830  -0.485
  235   2HB   LYS  34           HB1      LYS  34  -1.768  -5.581   0.274
  236   1HG   LYS  34           HG2      LYS  34  -2.785  -6.377  -1.948
  237   2HG   LYS  34           HG1      LYS  34  -1.162  -6.939  -2.356
  238   1HD   LYS  34           HD2      LYS  34  -1.110  -8.398  -0.432
  239   2HD   LYS  34           HD1      LYS  34  -2.620  -7.722   0.181
  240   1HE   LYS  34           HE2      LYS  34  -3.860  -9.073  -1.133
  241   2HE   LYS  34           HE1      LYS  34  -2.902  -8.672  -2.560
  242   1HZ   LYS  34           HZ1      LYS  34  -2.902 -11.065  -1.309
  243   2HZ   LYS  34           HZ2      LYS  34  -1.517 -10.328  -0.655
  244   3HZ   LYS  34           HZ3      LYS  34  -1.676 -10.506  -2.338
  245    H    CYS  35           HN       CYS  35  -3.340  -3.472  -2.790
  246    HA   CYS  35           HA       CYS  35  -4.616  -1.958  -0.599
  247   1HB   CYS  35           HB2      CYS  35  -5.830  -2.261  -3.328
  248   2HB   CYS  35           HB1      CYS  35  -5.857  -0.871  -2.246
  249    H    PHE  36           HN       PHE  36  -6.610  -2.501   0.309
  250    HA   PHE  36           HA       PHE  36  -7.337  -5.279   0.340
  251   1HB   PHE  36           HB2      PHE  36  -8.322  -2.773   1.556
  252   2HB   PHE  36           HB1      PHE  36  -9.557  -4.009   1.312
  253    HD1  PHE  36           HD1      PHE  36  -5.981  -3.799   2.450
  254    HD2  PHE  36           HD2      PHE  36  -9.866  -5.535   3.037
  255    HE1  PHE  36           HE1      PHE  36  -5.128  -5.041   4.420
  256    HE2  PHE  36           HE2      PHE  36  -9.013  -6.778   5.007
  257    HZ   PHE  36           HZ       PHE  36  -6.644  -6.530   5.698
  258    H    GLY  37           HN       GLY  37  -9.122  -2.450  -0.948
  259   1HA   GLY  37           HA2      GLY  37 -10.689  -2.325  -2.690
  260   2HA   GLY  37           HA1      GLY  37  -9.839  -3.696  -3.404
  261    H    ARG  38           HN       ARG  38 -11.151  -4.013  -0.201
  262    HA   ARG  38           HA       ARG  38 -13.756  -4.992  -0.901
  263   1HB   ARG  38           HB2      ARG  38 -13.319  -7.423  -0.518
  264   2HB   ARG  38           HB1      ARG  38 -12.534  -6.812  -1.976
  265   1HG   ARG  38           HG2      ARG  38 -10.431  -7.054  -1.108
  266   2HG   ARG  38           HG1      ARG  38 -10.946  -6.628   0.525
  267   1HD   ARG  38           HD2      ARG  38 -11.312  -9.286  -0.880
  268   2HD   ARG  38           HD1      ARG  38 -10.353  -8.961   0.563
  269    HE   ARG  38           HE       ARG  38 -12.707  -8.287   1.548
  270   1HH1  ARG  38          HH21      ARG  38 -13.256  -9.858  -1.276
  271   2HH1  ARG  38          HH22      ARG  38 -14.037 -11.248  -0.600
  272   1HH2  ARG  38          HH11      ARG  38 -13.179 -10.470   2.669
  273   2HH2  ARG  38          HH12      ARG  38 -13.992 -11.595   1.634
  Start of MODEL   13
    1   1H    THR   4           HT1      THR   4   5.991  -5.021  -7.603
    2   2H    THR   4           HT2      THR   4   7.024  -3.912  -8.370
    3   3H    THR   4           HT3      THR   4   5.850  -4.748  -9.270
    4    HA   THR   4           HA       THR   4   4.655  -2.880  -9.026
    5    HB   THR   4           HB       THR   4   4.175  -3.433  -6.159
    6    HG1  THR   4           HG1      THR   4   4.115  -5.500  -6.385
    7   1HG2  THR   4          HG21      THR   4   2.334  -2.366  -6.921
    8   2HG2  THR   4          HG22      THR   4   1.882  -3.916  -7.628
    9   3HG2  THR   4          HG23      THR   4   2.729  -2.716  -8.604
   10    H    ILE   5           HN       ILE   5   4.127  -1.466  -6.506
   11    HA   ILE   5           HA       ILE   5   6.309   0.435  -6.638
   12    HB   ILE   5           HB       ILE   5   3.757   0.756  -6.028
   13   1HG1  ILE   5          HG12      ILE   5   5.004   2.617  -4.307
   14   2HG1  ILE   5          HG11      ILE   5   6.170   2.255  -5.581
   15   1HG2  ILE   5          HG21      ILE   5   4.617   0.988  -3.232
   16   2HG2  ILE   5          HG22      ILE   5   4.506  -0.675  -3.806
   17   3HG2  ILE   5          HG23      ILE   5   3.099   0.384  -3.897
   18   1HD1  ILE   5          HD11      ILE   5   4.000   2.502  -7.119
   19   2HD1  ILE   5          HD12      ILE   5   4.960   3.905  -6.651
   20   3HD1  ILE   5          HD13      ILE   5   3.473   3.523  -5.782
   21    H    SER   6           HN       SER   6   6.396   1.052  -3.814
   22    HA   SER   6           HA       SER   6   7.246  -1.118  -2.195
   23   1HB   SER   6           HB2      SER   6   9.815  -0.312  -2.481
   24   2HB   SER   6           HB1      SER   6   9.133  -1.675  -3.365
   25    HG   SER   6           HG       SER   6   9.394   1.020  -4.220
   26    H    CYS   7           HN       CYS   7   6.603  -0.025  -0.363
   27    HA   CYS   7           HA       CYS   7   8.071   2.493   0.238
   28   1HB   CYS   7           HB2      CYS   7   6.177   3.725   0.705
   29   2HB   CYS   7           HB1      CYS   7   5.541   2.696  -0.570
   30    H    THR   8           HN       THR   8   8.073   2.976   2.615
   31    HA   THR   8           HA       THR   8   7.879   0.440   4.192
   32    HB   THR   8           HB       THR   8  10.197   0.923   4.034
   33    HG1  THR   8           HG1      THR   8   9.457   0.639   6.189
   34   1HG2  THR   8          HG21      THR   8   9.237   3.742   4.131
   35   2HG2  THR   8          HG22      THR   8  10.492   3.015   3.127
   36   3HG2  THR   8          HG23      THR   8  10.830   3.411   4.812
   37    H    ASN   9           HN       ASN   9   5.773   2.419   3.874
   38    HA   ASN   9           HA       ASN   9   5.314   2.978   6.724
   39   1HB   ASN   9           HB2      ASN   9   6.527   4.981   5.367
   40   2HB   ASN   9           HB1      ASN   9   4.843   5.341   4.984
   41   1HD2  ASN   9          HD21      ASN   9   7.198   5.144   7.618
   42   2HD2  ASN   9          HD22      ASN   9   6.214   5.875   8.792
   43    H    GLU  10           HN       GLU  10   3.173   2.643   7.140
   44    HA   GLU  10           HA       GLU  10   1.363   1.696   5.200
   45   1HB   GLU  10           HB2      GLU  10   0.770   3.086   7.830
   46   2HB   GLU  10           HB1      GLU  10  -0.405   2.164   6.893
   47   1HG   GLU  10           HG2      GLU  10   0.333   0.253   7.819
   48   2HG   GLU  10           HG1      GLU  10   1.954   0.570   7.201
   49    H    LYS  11           HN       LYS  11   1.824   5.001   6.429
   50    HA   LYS  11           HA       LYS  11  -0.365   6.181   5.012
   51   1HB   LYS  11           HB2      LYS  11   1.075   7.205   6.886
   52   2HB   LYS  11           HB1      LYS  11   2.235   7.595   5.615
   53   1HG   LYS  11           HG2      LYS  11   0.827   9.522   5.864
   54   2HG   LYS  11           HG1      LYS  11   0.322   8.722   4.376
   55   1HD   LYS  11           HD2      LYS  11  -1.596   9.410   5.850
   56   2HD   LYS  11           HD1      LYS  11  -1.555   7.681   5.499
   57   1HE   LYS  11           HE2      LYS  11  -0.832   7.125   7.648
   58   2HE   LYS  11           HE1      LYS  11  -0.159   8.728   7.943
   59   1HZ   LYS  11           HZ1      LYS  11  -2.423   8.013   8.996
   60   2HZ   LYS  11           HZ2      LYS  11  -3.043   8.476   7.483
   61   3HZ   LYS  11           HZ3      LYS  11  -2.193   9.597   8.437
   62    H    GLN  12           HN       GLN  12   2.952   5.433   4.081
   63    HA   GLN  12           HA       GLN  12   3.029   6.941   1.659
   64   1HB   GLN  12           HB2      GLN  12   4.567   4.737   2.876
   65   2HB   GLN  12           HB1      GLN  12   4.612   4.779   1.113
   66   1HG   GLN  12           HG2      GLN  12   5.063   7.283   2.729
   67   2HG   GLN  12           HG1      GLN  12   6.387   6.164   2.403
   68   1HE2  GLN  12          HE21      GLN  12   6.943   5.778   0.087
   69   2HE2  GLN  12          HE22      GLN  12   6.540   6.942  -1.081
   70    H    CYS  13           HN       CYS  13   1.416   3.951   2.448
   71    HA   CYS  13           HA       CYS  13   0.738   3.641  -0.453
   72   1HB   CYS  13           HB2      CYS  13   2.104   1.786   0.783
   73   2HB   CYS  13           HB1      CYS  13   0.557   1.380   1.524
   74    H    TYR  14           HN       TYR  14  -0.506   4.791   2.320
   75    HA   TYR  14           HA       TYR  14  -3.070   3.438   2.408
   76   1HB   TYR  14           HB2      TYR  14  -1.776   5.703   3.779
   77   2HB   TYR  14           HB1      TYR  14  -3.521   5.871   3.590
   78    HD1  TYR  14           HD1      TYR  14  -4.378   3.025   3.677
   79    HD2  TYR  14           HD2      TYR  14  -1.499   5.144   6.059
   80    HE1  TYR  14           HE1      TYR  14  -4.730   1.419   5.535
   81    HE2  TYR  14           HE2      TYR  14  -1.850   3.539   7.913
   82    HH   TYR  14           HH       TYR  14  -3.814   0.655   7.502
   83    HA   PRO  15           HA       PRO  15  -4.592   7.294   0.031
   84   1HB   PRO  15           HB2      PRO  15  -2.684   9.022  -0.937
   85   2HB   PRO  15           HB1      PRO  15  -3.444   9.189   0.656
   86   1HG   PRO  15           HG2      PRO  15  -0.700   8.238  -0.026
   87   2HG   PRO  15           HG1      PRO  15  -1.286   9.005   1.460
   88   1HD   PRO  15           HD2      PRO  15  -0.795   6.244   1.103
   89   2HD   PRO  15           HD1      PRO  15  -1.692   6.979   2.450
   90    H    HIS  16           HN       HIS  16  -1.538   5.886  -1.076
   91    HA   HIS  16           HA       HIS  16  -2.065   6.224  -3.891
   92   1HB   HIS  16           HB2      HIS  16   0.110   5.616  -3.886
   93   2HB   HIS  16           HB1      HIS  16  -0.006   5.054  -2.223
   94    HD1  HIS  16           HD1      HIS  16   0.626   3.840  -5.555
   95    HD2  HIS  16           HD2      HIS  16  -1.220   2.264  -2.166
   96    HE1  HIS  16           HE1      HIS  16   0.548   1.330  -5.884
   97    H    CYS  17           HN       CYS  17  -2.672   3.572  -1.588
   98    HA   CYS  17           HA       CYS  17  -3.760   1.772  -3.554
   99   1HB   CYS  17           HB2      CYS  17  -3.770   1.951  -0.570
  100   2HB   CYS  17           HB1      CYS  17  -4.944   0.882  -1.340
  101    H    LYS  18           HN       LYS  18  -5.287   4.075  -1.288
  102    HA   LYS  18           HA       LYS  18  -7.982   3.525  -1.872
  103   1HB   LYS  18           HB2      LYS  18  -6.939   5.233  -0.203
  104   2HB   LYS  18           HB1      LYS  18  -7.008   6.359  -1.558
  105   1HG   LYS  18           HG2      LYS  18  -9.507   4.968  -1.417
  106   2HG   LYS  18           HG1      LYS  18  -9.126   5.591   0.188
  107   1HD   LYS  18           HD2      LYS  18  -9.273   7.778  -0.476
  108   2HD   LYS  18           HD1      LYS  18  -8.628   7.441  -2.082
  109   1HE   LYS  18           HE2      LYS  18 -10.854   6.233  -2.536
  110   2HE   LYS  18           HE1      LYS  18 -11.446   7.030  -1.080
  111   1HZ   LYS  18           HZ1      LYS  18 -11.276   9.095  -2.027
  112   2HZ   LYS  18           HZ2      LYS  18 -11.709   8.165  -3.382
  113   3HZ   LYS  18           HZ3      LYS  18 -10.090   8.621  -3.143
  114    H    LYS  19           HN       LYS  19  -5.633   5.420  -3.723
  115    HA   LYS  19           HA       LYS  19  -7.631   6.355  -5.636
  116   1HB   LYS  19           HB2      LYS  19  -4.600   6.354  -5.683
  117   2HB   LYS  19           HB1      LYS  19  -5.601   7.079  -6.943
  118   1HG   LYS  19           HG2      LYS  19  -6.276   7.861  -4.164
  119   2HG   LYS  19           HG1      LYS  19  -4.725   8.448  -4.767
  120   1HD   LYS  19           HD2      LYS  19  -5.801  10.043  -5.928
  121   2HD   LYS  19           HD1      LYS  19  -6.617   8.788  -6.862
  122   1HE   LYS  19           HE2      LYS  19  -8.566   9.252  -5.844
  123   2HE   LYS  19           HE1      LYS  19  -7.835   8.966  -4.265
  124   1HZ   LYS  19           HZ1      LYS  19  -7.752  11.504  -5.804
  125   2HZ   LYS  19           HZ2      LYS  19  -6.969  11.238  -4.320
  126   3HZ   LYS  19           HZ3      LYS  19  -8.666  11.210  -4.405
  127    H    GLU  20           HN       GLU  20  -5.481   3.597  -5.358
  128    HA   GLU  20           HA       GLU  20  -5.607   2.787  -8.121
  129   1HB   GLU  20           HB2      GLU  20  -4.013   1.985  -6.212
  130   2HB   GLU  20           HB1      GLU  20  -5.304   0.840  -5.845
  131   1HG   GLU  20           HG2      GLU  20  -5.256   0.214  -8.328
  132   2HG   GLU  20           HG1      GLU  20  -3.739   1.112  -8.418
  133    H    THR  21           HN       THR  21  -7.336   1.517  -5.240
  134    HA   THR  21           HA       THR  21  -9.415   0.483  -7.122
  135    HB   THR  21           HB       THR  21  -9.994  -1.132  -5.404
  136    HG1  THR  21           HG1      THR  21  -9.687  -0.399  -3.463
  137   1HG2  THR  21          HG21      THR  21  -8.115  -1.746  -6.833
  138   2HG2  THR  21          HG22      THR  21  -7.821  -2.334  -5.196
  139   3HG2  THR  21          HG23      THR  21  -6.996  -0.887  -5.775
  140    H    GLY  22           HN       GLY  22  -9.021   2.056  -3.933
  141   1HA   GLY  22           HA2      GLY  22 -10.609   4.154  -3.907
  142   2HA   GLY  22           HA1      GLY  22 -11.862   2.929  -4.098
  143    H    TYR  23           HN       TYR  23  -9.830   1.209  -2.387
  144    HA   TYR  23           HA       TYR  23 -11.065   2.023   0.185
  145   1HB   TYR  23           HB2      TYR  23  -9.994  -0.503  -0.955
  146   2HB   TYR  23           HB1      TYR  23  -9.761  -0.270   0.778
  147    HD1  TYR  23           HD1      TYR  23 -11.662  -0.108   2.302
  148    HD2  TYR  23           HD2      TYR  23 -12.240  -0.673  -1.917
  149    HE1  TYR  23           HE1      TYR  23 -14.032  -0.714   2.708
  150    HE2  TYR  23           HE2      TYR  23 -14.612  -1.278  -1.511
  151    HH   TYR  23           HH       TYR  23 -15.822  -1.971   1.602
  152    HA   PRO  24           HA       PRO  24  -7.050   3.723   1.212
  153   1HB   PRO  24           HB2      PRO  24  -7.879   4.875   3.564
  154   2HB   PRO  24           HB1      PRO  24  -8.167   5.594   1.969
  155   1HG   PRO  24           HG2      PRO  24 -10.093   4.226   3.784
  156   2HG   PRO  24           HG1      PRO  24 -10.401   5.438   2.528
  157   1HD   PRO  24           HD2      PRO  24 -10.823   2.636   2.300
  158   2HD   PRO  24           HD1      PRO  24 -10.871   3.821   0.978
  159    H    ASN  25           HN       ASN  25  -7.503   0.926   1.797
  160    HA   ASN  25           HA       ASN  25  -6.188   0.769   4.470
  161   1HB   ASN  25           HB2      ASN  25  -8.742  -0.349   3.678
  162   2HB   ASN  25           HB1      ASN  25  -7.616  -1.630   4.128
  163   1HD2  ASN  25          HD21      ASN  25  -7.091  -1.860   6.351
  164   2HD2  ASN  25          HD22      ASN  25  -7.691  -0.836   7.566
  165    H    ALA  26           HN       ALA  26  -4.130   0.378   3.621
  166    HA   ALA  26           HA       ALA  26  -3.817  -2.237   2.231
  167   1HB   ALA  26           HB1      ALA  26  -2.267   0.215   1.379
  168   2HB   ALA  26           HB2      ALA  26  -3.778  -0.256   0.600
  169   3HB   ALA  26           HB3      ALA  26  -2.386  -1.338   0.552
  170    H    LYS  27           HN       LYS  27  -1.181  -2.494   2.034
  171    HA   LYS  27           HA       LYS  27   0.093  -1.516   4.525
  172   1HB   LYS  27           HB2      LYS  27  -0.823  -4.279   4.047
  173   2HB   LYS  27           HB1      LYS  27   0.853  -4.150   4.582
  174   1HG   LYS  27           HG2      LYS  27  -0.246  -4.194   6.629
  175   2HG   LYS  27           HG1      LYS  27  -0.164  -2.456   6.338
  176   1HD   LYS  27           HD2      LYS  27  -2.409  -2.296   6.225
  177   2HD   LYS  27           HD1      LYS  27  -2.498  -3.614   5.056
  178   1HE   LYS  27           HE2      LYS  27  -3.651  -4.546   6.850
  179   2HE   LYS  27           HE1      LYS  27  -2.014  -5.116   7.174
  180   1HZ   LYS  27           HZ1      LYS  27  -3.033  -4.155   9.146
  181   2HZ   LYS  27           HZ2      LYS  27  -3.252  -2.679   8.334
  182   3HZ   LYS  27           HZ3      LYS  27  -1.685  -3.248   8.659
  183    H    CYS  28           HN       CYS  28   2.419  -1.743   4.476
  184    HA   CYS  28           HA       CYS  28   3.489  -2.212   1.718
  185   1HB   CYS  28           HB2      CYS  28   3.735   0.025   3.466
  186   2HB   CYS  28           HB1      CYS  28   5.319  -0.743   3.375
  187    H    MET  29           HN       MET  29   3.950  -4.453   2.075
  188    HA   MET  29           HA       MET  29   5.974  -4.988   4.211
  189   1HB   MET  29           HB2      MET  29   3.867  -6.721   2.925
  190   2HB   MET  29           HB1      MET  29   5.257  -7.438   3.741
  191   1HG   MET  29           HG2      MET  29   4.692  -6.104   5.779
  192   2HG   MET  29           HG1      MET  29   3.237  -5.535   4.959
  193   1HE   MET  29           HE1      MET  29   3.211  -8.074   7.915
  194   2HE   MET  29           HE2      MET  29   1.671  -7.380   7.414
  195   3HE   MET  29           HE3      MET  29   3.121  -6.378   7.416
  196    H    ASN  30           HN       ASN  30   7.978  -5.674   3.577
  197    HA   ASN  30           HA       ASN  30   9.760  -6.117   2.113
  198   1HB   ASN  30           HB2      ASN  30   7.864  -8.132   1.859
  199   2HB   ASN  30           HB1      ASN  30   8.174  -7.651   0.191
  200   1HD2  ASN  30          HD21      ASN  30   9.212  -9.932   0.161
  201   2HD2  ASN  30          HD22      ASN  30  10.837 -10.048   0.636
  202    H    ARG  31           HN       ARG  31   8.947  -3.655   1.573
  203    HA   ARG  31           HA       ARG  31   8.588  -2.034  -0.104
  204   1HB   ARG  31           HB2      ARG  31  10.079  -3.950  -1.897
  205   2HB   ARG  31           HB1      ARG  31  10.157  -2.188  -1.865
  206   1HG   ARG  31           HG2      ARG  31  11.873  -2.279  -0.418
  207   2HG   ARG  31           HG1      ARG  31  10.865  -3.158   0.731
  208   1HD   ARG  31           HD2      ARG  31  11.501  -5.273  -0.176
  209   2HD   ARG  31           HD1      ARG  31  12.224  -4.521  -1.599
  210    HE   ARG  31           HE       ARG  31  13.417  -3.849   1.027
  211   1HH1  ARG  31          HH11      ARG  31  14.193  -4.006  -2.131
  212   2HH1  ARG  31          HH12      ARG  31  15.568  -5.049  -1.974
  213   1HH2  ARG  31          HH21      ARG  31  14.894  -5.877   1.326
  214   2HH2  ARG  31          HH22      ARG  31  15.965  -6.108  -0.015
  215    H    LYS  32           HN       LYS  32   6.506  -4.085   0.115
  216    HA   LYS  32           HA       LYS  32   5.548  -4.037  -2.719
  217   1HB   LYS  32           HB2      LYS  32   6.177  -6.332  -1.451
  218   2HB   LYS  32           HB1      LYS  32   4.517  -6.144  -0.886
  219   1HG   LYS  32           HG2      LYS  32   3.640  -6.185  -3.080
  220   2HG   LYS  32           HG1      LYS  32   5.212  -5.853  -3.807
  221   1HD   LYS  32           HD2      LYS  32   5.566  -8.207  -2.305
  222   2HD   LYS  32           HD1      LYS  32   4.023  -8.406  -3.135
  223   1HE   LYS  32           HE2      LYS  32   5.579  -7.315  -5.115
  224   2HE   LYS  32           HE1      LYS  32   6.751  -8.305  -4.243
  225   1HZ   LYS  32           HZ1      LYS  32   5.306  -9.346  -6.109
  226   2HZ   LYS  32           HZ2      LYS  32   4.114  -9.427  -4.900
  227   3HZ   LYS  32           HZ3      LYS  32   5.602 -10.222  -4.687
  228    H    CYS  33           HN       CYS  33   3.398  -3.386  -2.991
  229    HA   CYS  33           HA       CYS  33   2.079  -2.346  -0.527
  230   1HB   CYS  33           HB2      CYS  33   2.257  -1.431  -3.331
  231   2HB   CYS  33           HB1      CYS  33   0.655  -1.287  -2.607
  232    H    LYS  34           HN       LYS  34  -0.068  -2.920  -0.072
  233    HA   LYS  34           HA       LYS  34  -1.391  -4.837  -1.925
  234   1HB   LYS  34           HB2      LYS  34  -0.093  -5.629   0.437
  235   2HB   LYS  34           HB1      LYS  34  -1.808  -5.591   0.849
  236   1HG   LYS  34           HG2      LYS  34  -2.372  -7.135  -0.851
  237   2HG   LYS  34           HG1      LYS  34  -0.837  -6.903  -1.688
  238   1HD   LYS  34           HD2      LYS  34  -0.521  -8.956  -0.591
  239   2HD   LYS  34           HD1      LYS  34   0.229  -7.803   0.514
  240   1HE   LYS  34           HE2      LYS  34  -1.309  -8.187   2.130
  241   2HE   LYS  34           HE1      LYS  34  -2.647  -8.137   0.983
  242   1HZ   LYS  34           HZ1      LYS  34  -2.660 -10.342   0.806
  243   2HZ   LYS  34           HZ2      LYS  34  -1.689 -10.363   2.200
  244   3HZ   LYS  34           HZ3      LYS  34  -0.974 -10.444   0.661
  245    H    CYS  35           HN       CYS  35  -3.218  -3.694  -2.402
  246    HA   CYS  35           HA       CYS  35  -4.546  -2.134  -0.250
  247   1HB   CYS  35           HB2      CYS  35  -5.605  -2.236  -3.049
  248   2HB   CYS  35           HB1      CYS  35  -5.566  -0.886  -1.917
  249    H    PHE  36           HN       PHE  36  -6.516  -2.746   0.600
  250    HA   PHE  36           HA       PHE  36  -7.415  -5.459   0.199
  251   1HB   PHE  36           HB2      PHE  36  -8.205  -3.138   1.850
  252   2HB   PHE  36           HB1      PHE  36  -9.524  -4.233   1.436
  253    HD1  PHE  36           HD1      PHE  36  -7.515  -3.605   4.037
  254    HD2  PHE  36           HD2      PHE  36  -8.317  -6.851   1.341
  255    HE1  PHE  36           HE1      PHE  36  -6.719  -5.219   5.743
  256    HE2  PHE  36           HE2      PHE  36  -7.522  -8.465   3.046
  257    HZ   PHE  36           HZ       PHE  36  -6.722  -7.650   5.248
  258    H    GLY  37           HN       GLY  37  -8.901  -2.306  -0.632
  259   1HA   GLY  37           HA2      GLY  37 -10.434  -1.763  -2.322
  260   2HA   GLY  37           HA1      GLY  37  -9.814  -3.166  -3.194
  261    H    ARG  38           HN       ARG  38 -10.954  -3.927  -0.075
  262    HA   ARG  38           HA       ARG  38 -13.732  -4.142  -0.361
  263   1HB   ARG  38           HB2      ARG  38 -13.852  -6.624  -1.039
  264   2HB   ARG  38           HB1      ARG  38 -13.544  -5.461  -2.330
  265   1HG   ARG  38           HG2      ARG  38 -11.115  -5.899  -2.132
  266   2HG   ARG  38           HG1      ARG  38 -11.441  -7.086  -0.869
  267   1HD   ARG  38           HD2      ARG  38 -12.642  -7.258  -3.643
  268   2HD   ARG  38           HD1      ARG  38 -11.134  -8.055  -3.195
  269    HE   ARG  38           HE       ARG  38 -13.113  -8.780  -1.284
  270   1HH1  ARG  38          HH11      ARG  38 -11.322 -10.146  -3.641
  271   2HH1  ARG  38          HH12      ARG  38 -12.523 -11.250  -4.223
  272   1HH2  ARG  38          HH21      ARG  38 -15.114  -9.780  -2.450
  273   2HH2  ARG  38          HH22      ARG  38 -14.669 -11.043  -3.548
  Start of MODEL   14
    1   1H    THR   4           HT1      THR   4   2.563  -5.935  -7.402
    2   2H    THR   4           HT2      THR   4   2.561  -5.853  -5.705
    3   3H    THR   4           HT3      THR   4   3.892  -5.268  -6.585
    4    HA   THR   4           HA       THR   4   1.699  -3.919  -7.585
    5    HB   THR   4           HB       THR   4   1.746  -3.493  -4.620
    6    HG1  THR   4           HG1      THR   4  -0.219  -4.982  -4.818
    7   1HG2  THR   4          HG21      THR   4  -0.833  -3.375  -5.815
    8   2HG2  THR   4          HG22      THR   4   0.288  -2.561  -6.905
    9   3HG2  THR   4          HG23      THR   4   0.151  -2.034  -5.228
   10    H    ILE   5           HN       ILE   5   1.961  -1.509  -6.289
   11    HA   ILE   5           HA       ILE   5   4.524  -0.598  -7.128
   12    HB   ILE   5           HB       ILE   5   3.017   0.874  -5.028
   13   1HG1  ILE   5          HG12      ILE   5   2.072   0.292  -7.836
   14   2HG1  ILE   5          HG11      ILE   5   1.161   0.159  -6.332
   15   1HG2  ILE   5          HG21      ILE   5   5.134   1.451  -6.708
   16   2HG2  ILE   5          HG22      ILE   5   4.148   2.641  -5.858
   17   3HG2  ILE   5          HG23      ILE   5   3.761   2.201  -7.521
   18   1HD1  ILE   5          HD11      ILE   5   1.373   2.653  -6.065
   19   2HD1  ILE   5          HD12      ILE   5   0.428   2.167  -7.472
   20   3HD1  ILE   5          HD13      ILE   5   2.093   2.713  -7.674
   21    H    SER   6           HN       SER   6   6.226   0.323  -5.717
   22    HA   SER   6           HA       SER   6   6.676  -1.444  -3.378
   23   1HB   SER   6           HB2      SER   6   8.390  -0.836  -5.324
   24   2HB   SER   6           HB1      SER   6   8.700   0.560  -4.296
   25    HG   SER   6           HG       SER   6   9.853  -1.633  -3.987
   26    H    CYS   7           HN       CYS   7   7.069  -0.591  -1.292
   27    HA   CYS   7           HA       CYS   7   6.792   2.338  -0.931
   28   1HB   CYS   7           HB2      CYS   7   5.087   1.852   0.919
   29   2HB   CYS   7           HB1      CYS   7   4.505   1.687  -0.738
   30    H    THR   8           HN       THR   8   6.898   2.716   1.624
   31    HA   THR   8           HA       THR   8   8.786   0.786   2.867
   32    HB   THR   8           HB       THR   8  10.259   2.419   1.856
   33    HG1  THR   8           HG1      THR   8  11.160   2.173   3.741
   34   1HG2  THR   8          HG21      THR   8   9.731   4.603   1.597
   35   2HG2  THR   8          HG22      THR   8   9.249   4.770   3.285
   36   3HG2  THR   8          HG23      THR   8   8.107   4.138   2.099
   37    H    ASN   9           HN       ASN   9   5.932   2.116   3.142
   38    HA   ASN   9           HA       ASN   9   5.942   2.039   6.061
   39   1HB   ASN   9           HB2      ASN   9   6.479   4.508   4.959
   40   2HB   ASN   9           HB1      ASN   9   4.726   4.561   5.147
   41   1HD2  ASN   9          HD21      ASN   9   4.151   5.420   7.143
   42   2HD2  ASN   9          HD22      ASN   9   5.011   5.197   8.588
   43    H    GLU  10           HN       GLU  10   3.670   2.259   6.896
   44    HA   GLU  10           HA       GLU  10   1.838   0.777   5.249
   45   1HB   GLU  10           HB2      GLU  10   1.974   1.064   7.867
   46   2HB   GLU  10           HB1      GLU  10   0.903   2.432   7.572
   47   1HG   GLU  10           HG2      GLU  10  -0.707   0.990   6.448
   48   2HG   GLU  10           HG1      GLU  10   0.386  -0.387   6.586
   49    H    LYS  11           HN       LYS  11   1.905   4.209   6.245
   50    HA   LYS  11           HA       LYS  11  -0.435   4.927   4.726
   51   1HB   LYS  11           HB2      LYS  11   0.755   6.198   6.671
   52   2HB   LYS  11           HB1      LYS  11   1.766   6.868   5.390
   53   1HG   LYS  11           HG2      LYS  11  -0.249   7.666   4.212
   54   2HG   LYS  11           HG1      LYS  11  -1.262   7.003   5.495
   55   1HD   LYS  11           HD2      LYS  11  -0.911   9.402   5.865
   56   2HD   LYS  11           HD1      LYS  11  -0.114   8.472   7.135
   57   1HE   LYS  11           HE2      LYS  11   1.657   8.844   4.868
   58   2HE   LYS  11           HE1      LYS  11   1.076  10.396   5.469
   59   1HZ   LYS  11           HZ1      LYS  11   3.141   9.184   6.530
   60   2HZ   LYS  11           HZ2      LYS  11   1.929   8.412   7.438
   61   3HZ   LYS  11           HZ3      LYS  11   2.070  10.105   7.469
   62    H    GLN  12           HN       GLN  12   2.611   3.996   3.673
   63    HA   GLN  12           HA       GLN  12   3.011   5.869   1.518
   64   1HB   GLN  12           HB2      GLN  12   4.042   3.105   2.119
   65   2HB   GLN  12           HB1      GLN  12   4.390   3.873   0.570
   66   1HG   GLN  12           HG2      GLN  12   5.021   5.029   3.303
   67   2HG   GLN  12           HG1      GLN  12   6.192   4.347   2.173
   68   1HE2  GLN  12          HE21      GLN  12   6.839   5.640   0.357
   69   2HE2  GLN  12          HE22      GLN  12   6.337   7.248   0.154
   70    H    CYS  13           HN       CYS  13   0.993   3.033   1.888
   71    HA   CYS  13           HA       CYS  13   0.327   3.182  -1.025
   72   1HB   CYS  13           HB2      CYS  13  -0.554   0.959   0.807
   73   2HB   CYS  13           HB1      CYS  13  -0.322   0.925  -0.941
   74    H    TYR  14           HN       TYR  14  -0.684   4.639   1.618
   75    HA   TYR  14           HA       TYR  14  -3.508   3.961   1.680
   76   1HB   TYR  14           HB2      TYR  14  -1.706   5.840   3.055
   77   2HB   TYR  14           HB1      TYR  14  -3.341   6.456   2.816
   78    HD1  TYR  14           HD1      TYR  14  -2.047   2.989   3.430
   79    HD2  TYR  14           HD2      TYR  14  -4.509   6.220   4.828
   80    HE1  TYR  14           HE1      TYR  14  -2.858   1.567   5.295
   81    HE2  TYR  14           HE2      TYR  14  -5.317   4.799   6.691
   82    HH   TYR  14           HH       TYR  14  -5.435   1.923   6.888
   83    HA   PRO  15           HA       PRO  15  -3.959   8.034  -0.766
   84   1HB   PRO  15           HB2      PRO  15  -1.666   9.195  -1.740
   85   2HB   PRO  15           HB1      PRO  15  -2.360   9.569  -0.154
   86   1HG   PRO  15           HG2      PRO  15   0.047   7.941  -0.811
   87   2HG   PRO  15           HG1      PRO  15  -0.332   8.835   0.670
   88   1HD   PRO  15           HD2      PRO  15  -0.570   6.037   0.306
   89   2HD   PRO  15           HD1      PRO  15  -1.229   6.976   1.662
   90    H    HIS  16           HN       HIS  16  -1.436   5.809  -1.849
   91    HA   HIS  16           HA       HIS  16  -1.976   6.318  -4.675
   92   1HB   HIS  16           HB2      HIS  16   0.072   5.414  -4.867
   93   2HB   HIS  16           HB1      HIS  16   0.075   5.043  -3.149
   94    HD1  HIS  16           HD1      HIS  16  -1.341   3.510  -6.356
   95    HD2  HIS  16           HD2      HIS  16   0.241   2.327  -2.685
   96    HE1  HIS  16           HE1      HIS  16  -1.229   0.980  -6.405
   97    H    CYS  17           HN       CYS  17  -2.652   3.609  -2.426
   98    HA   CYS  17           HA       CYS  17  -4.192   2.205  -4.469
   99   1HB   CYS  17           HB2      CYS  17  -3.332   1.703  -1.694
  100   2HB   CYS  17           HB1      CYS  17  -4.893   1.003  -2.119
  101    H    LYS  18           HN       LYS  18  -4.970   4.358  -1.760
  102    HA   LYS  18           HA       LYS  18  -7.750   3.793  -1.616
  103   1HB   LYS  18           HB2      LYS  18  -6.547   5.246   0.005
  104   2HB   LYS  18           HB1      LYS  18  -6.419   6.492  -1.238
  105   1HG   LYS  18           HG2      LYS  18  -8.999   6.257  -1.427
  106   2HG   LYS  18           HG1      LYS  18  -8.891   5.451   0.139
  107   1HD   LYS  18           HD2      LYS  18  -7.524   7.494   0.903
  108   2HD   LYS  18           HD1      LYS  18  -8.117   8.286  -0.557
  109   1HE   LYS  18           HE2      LYS  18 -10.273   8.413   0.221
  110   2HE   LYS  18           HE1      LYS  18 -10.148   6.899   1.117
  111   1HZ   LYS  18           HZ1      LYS  18  -9.965   9.449   2.140
  112   2HZ   LYS  18           HZ2      LYS  18  -8.377   8.849   2.171
  113   3HZ   LYS  18           HZ3      LYS  18  -9.624   7.999   2.950
  114    H    LYS  19           HN       LYS  19  -5.989   6.081  -3.716
  115    HA   LYS  19           HA       LYS  19  -8.459   6.927  -5.034
  116   1HB   LYS  19           HB2      LYS  19  -6.482   8.430  -4.767
  117   2HB   LYS  19           HB1      LYS  19  -5.589   7.395  -5.883
  118   1HG   LYS  19           HG2      LYS  19  -6.449   9.133  -7.247
  119   2HG   LYS  19           HG1      LYS  19  -7.543   7.776  -7.518
  120   1HD   LYS  19           HD2      LYS  19  -9.291   8.811  -6.484
  121   2HD   LYS  19           HD1      LYS  19  -8.260   9.529  -5.247
  122   1HE   LYS  19           HE2      LYS  19  -7.382  10.930  -7.358
  123   2HE   LYS  19           HE1      LYS  19  -9.012  10.581  -7.934
  124   1HZ   LYS  19           HZ1      LYS  19  -9.600  12.326  -6.703
  125   2HZ   LYS  19           HZ2      LYS  19  -8.148  12.331  -5.822
  126   3HZ   LYS  19           HZ3      LYS  19  -9.419  11.302  -5.364
  127    H    GLU  20           HN       GLU  20  -5.880   4.601  -5.701
  128    HA   GLU  20           HA       GLU  20  -6.653   4.171  -8.461
  129   1HB   GLU  20           HB2      GLU  20  -4.455   3.523  -7.008
  130   2HB   GLU  20           HB1      GLU  20  -5.297   1.973  -7.012
  131   1HG   GLU  20           HG2      GLU  20  -5.585   2.345  -9.549
  132   2HG   GLU  20           HG1      GLU  20  -4.350   3.592  -9.377
  133    H    THR  21           HN       THR  21  -6.934   1.977  -5.645
  134    HA   THR  21           HA       THR  21  -9.045   0.480  -7.053
  135    HB   THR  21           HB       THR  21  -8.894  -0.632  -4.556
  136    HG1  THR  21           HG1      THR  21  -6.279   0.220  -5.206
  137   1HG2  THR  21          HG21      THR  21  -7.958  -1.183  -7.214
  138   2HG2  THR  21          HG22      THR  21  -8.390  -2.325  -5.941
  139   3HG2  THR  21          HG23      THR  21  -6.740  -1.714  -6.053
  140    H    GLY  22           HN       GLY  22  -8.735   2.682  -4.303
  141   1HA   GLY  22           HA2      GLY  22 -10.720   4.103  -3.811
  142   2HA   GLY  22           HA1      GLY  22 -11.722   2.684  -4.123
  143    H    TYR  23           HN       TYR  23  -9.573   1.043  -2.672
  144    HA   TYR  23           HA       TYR  23 -10.681   1.531   0.039
  145   1HB   TYR  23           HB2      TYR  23  -9.552  -0.828  -1.399
  146   2HB   TYR  23           HB1      TYR  23  -9.341  -0.765   0.351
  147    HD1  TYR  23           HD1      TYR  23 -12.167   0.583  -1.682
  148    HD2  TYR  23           HD2      TYR  23 -10.876  -2.385   1.143
  149    HE1  TYR  23           HE1      TYR  23 -14.518  -0.141  -1.368
  150    HE2  TYR  23           HE2      TYR  23 -13.227  -3.109   1.456
  151    HH   TYR  23           HH       TYR  23 -15.468  -2.871  -0.279
  152    HA   PRO  24           HA       PRO  24  -6.646   3.299   0.905
  153   1HB   PRO  24           HB2      PRO  24  -7.347   4.242   3.393
  154   2HB   PRO  24           HB1      PRO  24  -7.732   5.086   1.883
  155   1HG   PRO  24           HG2      PRO  24  -9.533   3.511   3.668
  156   2HG   PRO  24           HG1      PRO  24  -9.924   4.856   2.584
  157   1HD   PRO  24           HD2      PRO  24 -10.397   2.128   2.044
  158   2HD   PRO  24           HD1      PRO  24 -10.421   3.441   0.847
  159    H    ASN  25           HN       ASN  25  -8.435   0.891   2.639
  160    HA   ASN  25           HA       ASN  25  -6.602   0.320   4.755
  161   1HB   ASN  25           HB2      ASN  25  -8.666  -1.322   3.287
  162   2HB   ASN  25           HB1      ASN  25  -7.652  -2.042   4.539
  163   1HD2  ASN  25          HD21      ASN  25 -10.435  -0.048   3.980
  164   2HD2  ASN  25          HD22      ASN  25 -10.740   0.348   5.603
  165    H    ALA  26           HN       ALA  26  -4.473   0.399   3.867
  166    HA   ALA  26           HA       ALA  26  -3.727  -2.071   2.390
  167   1HB   ALA  26           HB1      ALA  26  -3.998  -0.155   0.762
  168   2HB   ALA  26           HB2      ALA  26  -2.382  -0.860   0.792
  169   3HB   ALA  26           HB3      ALA  26  -2.691   0.669   1.614
  170    H    LYS  27           HN       LYS  27  -1.729  -2.883   3.023
  171    HA   LYS  27           HA       LYS  27  -0.241  -1.269   5.058
  172   1HB   LYS  27           HB2      LYS  27  -0.421  -4.291   4.912
  173   2HB   LYS  27           HB1      LYS  27   0.309  -3.333   6.201
  174   1HG   LYS  27           HG2      LYS  27  -1.683  -3.076   7.217
  175   2HG   LYS  27           HG1      LYS  27  -2.411  -2.471   5.729
  176   1HD   LYS  27           HD2      LYS  27  -3.545  -4.527   6.487
  177   2HD   LYS  27           HD1      LYS  27  -2.737  -4.786   4.941
  178   1HE   LYS  27           HE2      LYS  27  -1.046  -5.322   7.295
  179   2HE   LYS  27           HE1      LYS  27  -2.430  -6.402   7.135
  180   1HZ   LYS  27           HZ1      LYS  27  -0.048  -6.252   5.558
  181   2HZ   LYS  27           HZ2      LYS  27  -1.453  -6.199   4.602
  182   3HZ   LYS  27           HZ3      LYS  27  -1.194  -7.498   5.667
  183    H    CYS  28           HN       CYS  28   2.036  -1.286   4.892
  184    HA   CYS  28           HA       CYS  28   3.052  -2.277   2.278
  185   1HB   CYS  28           HB2      CYS  28   3.407   0.123   2.895
  186   2HB   CYS  28           HB1      CYS  28   4.389  -0.412   4.260
  187    H    MET  29           HN       MET  29   4.484  -3.943   2.186
  188    HA   MET  29           HA       MET  29   5.988  -4.720   4.618
  189   1HB   MET  29           HB2      MET  29   3.625  -6.034   3.886
  190   2HB   MET  29           HB1      MET  29   4.913  -7.069   3.271
  191   1HG   MET  29           HG2      MET  29   5.597  -6.108   5.908
  192   2HG   MET  29           HG1      MET  29   4.011  -6.879   5.938
  193   1HE   MET  29           HE1      MET  29   7.200  -6.984   6.543
  194   2HE   MET  29           HE2      MET  29   8.048  -8.401   5.930
  195   3HE   MET  29           HE3      MET  29   7.005  -8.550   7.342
  196    H    ASN  30           HN       ASN  30   7.988  -5.594   4.100
  197    HA   ASN  30           HA       ASN  30   9.868  -5.842   2.691
  198   1HB   ASN  30           HB2      ASN  30   7.776  -7.800   1.944
  199   2HB   ASN  30           HB1      ASN  30   9.063  -7.582   0.756
  200   1HD2  ASN  30          HD21      ASN  30   8.984  -7.660   4.374
  201   2HD2  ASN  30          HD22      ASN  30  10.248  -8.784   4.518
  202    H    ARG  31           HN       ARG  31   9.137  -3.465   2.004
  203    HA   ARG  31           HA       ARG  31   8.768  -1.906   0.270
  204   1HB   ARG  31           HB2      ARG  31  10.321  -3.912  -1.375
  205   2HB   ARG  31           HB1      ARG  31  10.332  -2.153  -1.510
  206   1HG   ARG  31           HG2      ARG  31  11.057  -3.091   1.171
  207   2HG   ARG  31           HG1      ARG  31  12.164  -3.661  -0.079
  208   1HD   ARG  31           HD2      ARG  31  11.395  -0.839  -0.383
  209   2HD   ARG  31           HD1      ARG  31  12.278  -1.177   1.106
  210    HE   ARG  31           HE       ARG  31  13.343  -1.421  -1.631
  211   1HH1  ARG  31          HH21      ARG  31  14.435  -0.302   1.128
  212   2HH1  ARG  31          HH22      ARG  31  15.781  -1.370   1.339
  213   1HH2  ARG  31          HH11      ARG  31  14.740  -3.593  -1.114
  214   2HH2  ARG  31          HH12      ARG  31  15.954  -3.235   0.069
  215    H    LYS  32           HN       LYS  32   6.470  -3.375   0.468
  216    HA   LYS  32           HA       LYS  32   5.663  -3.569  -2.379
  217   1HB   LYS  32           HB2      LYS  32   6.245  -5.874  -0.997
  218   2HB   LYS  32           HB1      LYS  32   4.510  -5.711  -0.719
  219   1HG   LYS  32           HG2      LYS  32   4.352  -6.745  -2.749
  220   2HG   LYS  32           HG1      LYS  32   4.635  -5.118  -3.369
  221   1HD   LYS  32           HD2      LYS  32   6.479  -5.915  -4.389
  222   2HD   LYS  32           HD1      LYS  32   7.190  -6.126  -2.788
  223   1HE   LYS  32           HE2      LYS  32   6.233  -8.385  -2.640
  224   2HE   LYS  32           HE1      LYS  32   5.479  -8.178  -4.221
  225   1HZ   LYS  32           HZ1      LYS  32   8.125  -7.532  -4.580
  226   2HZ   LYS  32           HZ2      LYS  32   7.349  -8.957  -5.086
  227   3HZ   LYS  32           HZ3      LYS  32   8.151  -8.907  -3.589
  228    H    CYS  33           HN       CYS  33   3.519  -2.925  -2.698
  229    HA   CYS  33           HA       CYS  33   2.161  -1.833  -0.289
  230   1HB   CYS  33           HB2      CYS  33   2.038  -1.270  -3.229
  231   2HB   CYS  33           HB1      CYS  33   0.617  -0.918  -2.248
  232    H    LYS  34           HN       LYS  34   1.198  -3.724   0.577
  233    HA   LYS  34           HA       LYS  34  -0.518  -5.360  -1.191
  234   1HB   LYS  34           HB2      LYS  34   0.920  -5.836   1.207
  235   2HB   LYS  34           HB1      LYS  34  -0.789  -6.011   1.602
  236   1HG   LYS  34           HG2      LYS  34  -0.265  -7.243  -0.949
  237   2HG   LYS  34           HG1      LYS  34   0.859  -7.876   0.252
  238   1HD   LYS  34           HD2      LYS  34  -0.780  -9.143   1.120
  239   2HD   LYS  34           HD1      LYS  34  -1.709  -7.688   1.482
  240   1HE   LYS  34           HE2      LYS  34  -3.197  -8.287  -0.094
  241   2HE   LYS  34           HE1      LYS  34  -1.933  -8.115  -1.311
  242   1HZ   LYS  34           HZ1      LYS  34  -3.176 -10.446  -0.523
  243   2HZ   LYS  34           HZ2      LYS  34  -1.612 -10.532   0.134
  244   3HZ   LYS  34           HZ3      LYS  34  -1.825 -10.302  -1.537
  245    H    CYS  35           HN       CYS  35  -2.202  -3.887  -1.697
  246    HA   CYS  35           HA       CYS  35  -3.693  -2.642   0.528
  247   1HB   CYS  35           HB2      CYS  35  -4.521  -2.541  -2.364
  248   2HB   CYS  35           HB1      CYS  35  -4.762  -1.334  -1.101
  249    H    PHE  36           HN       PHE  36  -6.174  -2.837   0.362
  250    HA   PHE  36           HA       PHE  36  -6.828  -5.711   0.286
  251   1HB   PHE  36           HB2      PHE  36  -8.358  -3.250   1.163
  252   2HB   PHE  36           HB1      PHE  36  -9.080  -4.856   1.130
  253    HD1  PHE  36           HD1      PHE  36  -9.229  -3.871   3.686
  254    HD2  PHE  36           HD2      PHE  36  -5.711  -5.422   1.768
  255    HE1  PHE  36           HE1      PHE  36  -8.237  -4.364   5.904
  256    HE2  PHE  36           HE2      PHE  36  -4.721  -5.915   3.986
  257    HZ   PHE  36           HZ       PHE  36  -5.983  -5.386   6.054
  258    H    GLY  37           HN       GLY  37  -7.585  -2.739  -1.462
  259   1HA   GLY  37           HA2      GLY  37  -8.923  -2.389  -3.376
  260   2HA   GLY  37           HA1      GLY  37  -8.101  -3.845  -3.941
  261    H    ARG  38           HN       ARG  38 -10.291  -3.752  -1.173
  262    HA   ARG  38           HA       ARG  38 -11.936  -5.828  -2.462
  263   1HB   ARG  38           HB2      ARG  38 -11.300  -5.067   0.228
  264   2HB   ARG  38           HB1      ARG  38 -13.053  -5.007   0.028
  265   1HG   ARG  38           HG2      ARG  38 -12.060  -7.345  -1.304
  266   2HG   ARG  38           HG1      ARG  38 -11.414  -7.313   0.337
  267   1HD   ARG  38           HD2      ARG  38 -13.411  -7.986   1.120
  268   2HD   ARG  38           HD1      ARG  38 -14.138  -6.508   0.490
  269    HE   ARG  38           HE       ARG  38 -13.823  -8.924  -1.243
  270   1HH1  ARG  38          HH21      ARG  38 -15.994  -7.297   0.740
  271   2HH1  ARG  38          HH22      ARG  38 -17.260  -7.189  -0.439
  272   1HH2  ARG  38          HH11      ARG  38 -15.299  -8.384  -3.039
  273   2HH2  ARG  38          HH12      ARG  38 -16.864  -7.799  -2.581
  Start of MODEL   15
    1   1H    THR   4           HT1      THR   4   4.933  -3.422  -6.923
    2   2H    THR   4           HT2      THR   4   5.241  -3.116  -5.280
    3   3H    THR   4           HT3      THR   4   6.274  -2.487  -6.473
    4    HA   THR   4           HA       THR   4   3.912  -1.475  -7.248
    5    HB   THR   4           HB       THR   4   3.910  -0.989  -4.298
    6    HG1  THR   4           HG1      THR   4   2.524  -3.151  -5.472
    7   1HG2  THR   4          HG21      THR   4   2.265  -0.438  -6.596
    8   2HG2  THR   4          HG22      THR   4   2.095   0.165  -4.948
    9   3HG2  THR   4          HG23      THR   4   1.334  -1.356  -5.413
   10    H    ILE   5           HN       ILE   5   3.927   0.832  -5.379
   11    HA   ILE   5           HA       ILE   5   6.106   2.290  -6.542
   12    HB   ILE   5           HB       ILE   5   5.363   4.002  -4.777
   13   1HG1  ILE   5          HG12      ILE   5   2.992   2.186  -4.456
   14   2HG1  ILE   5          HG11      ILE   5   4.373   2.051  -3.367
   15   1HG2  ILE   5          HG21      ILE   5   4.047   4.750  -6.441
   16   2HG2  ILE   5          HG22      ILE   5   2.878   3.464  -6.142
   17   3HG2  ILE   5          HG23      ILE   5   4.242   3.182  -7.224
   18   1HD1  ILE   5          HD11      ILE   5   2.824   4.604  -3.892
   19   2HD1  ILE   5          HD12      ILE   5   4.156   4.412  -2.753
   20   3HD1  ILE   5          HD13      ILE   5   2.628   3.579  -2.470
   21    H    SER   6           HN       SER   6   7.364   3.725  -4.682
   22    HA   SER   6           HA       SER   6   8.892   1.684  -3.157
   23   1HB   SER   6           HB2      SER   6  10.629   3.355  -2.991
   24   2HB   SER   6           HB1      SER   6  10.060   3.355  -4.658
   25    HG   SER   6           HG       SER   6  10.182   5.395  -3.068
   26    H    CYS   7           HN       CYS   7   7.592   1.342  -1.322
   27    HA   CYS   7           HA       CYS   7   7.120   3.768   0.364
   28   1HB   CYS   7           HB2      CYS   7   5.148   2.690   1.260
   29   2HB   CYS   7           HB1      CYS   7   5.040   2.649  -0.498
   30    H    THR   8           HN       THR   8   7.224   3.397   2.681
   31    HA   THR   8           HA       THR   8   8.697   0.958   3.528
   32    HB   THR   8           HB       THR   8  10.561   2.350   3.399
   33    HG1  THR   8           HG1      THR   8  10.876   2.098   5.448
   34   1HG2  THR   8          HG21      THR   8   9.655   4.353   2.556
   35   2HG2  THR   8          HG22      THR   8  10.334   4.832   4.111
   36   3HG2  THR   8          HG23      THR   8   8.597   4.566   3.951
   37    H    ASN   9           HN       ASN   9   5.975   2.470   3.794
   38    HA   ASN   9           HA       ASN   9   5.554   1.732   6.598
   39   1HB   ASN   9           HB2      ASN   9   6.425   4.166   6.528
   40   2HB   ASN   9           HB1      ASN   9   4.871   4.563   5.794
   41   1HD2  ASN   9          HD21      ASN   9   6.161   2.768   8.652
   42   2HD2  ASN   9          HD22      ASN   9   4.905   3.237   9.693
   43    H    GLU  10           HN       GLU  10   3.260   1.591   7.081
   44    HA   GLU  10           HA       GLU  10   1.641   0.758   4.887
   45   1HB   GLU  10           HB2      GLU  10  -0.217   0.769   6.542
   46   2HB   GLU  10           HB1      GLU  10   1.228  -0.020   7.172
   47   1HG   GLU  10           HG2      GLU  10   1.242   2.854   7.681
   48   2HG   GLU  10           HG1      GLU  10  -0.160   2.060   8.399
   49    H    LYS  11           HN       LYS  11   2.257   3.905   6.196
   50    HA   LYS  11           HA       LYS  11  -0.186   5.163   5.276
   51   1HB   LYS  11           HB2      LYS  11   1.084   6.257   7.010
   52   2HB   LYS  11           HB1      LYS  11   2.537   6.272   6.009
   53   1HG   LYS  11           HG2      LYS  11   1.806   8.032   4.728
   54   2HG   LYS  11           HG1      LYS  11   0.111   7.564   4.864
   55   1HD   LYS  11           HD2      LYS  11   0.113   9.439   6.223
   56   2HD   LYS  11           HD1      LYS  11   0.501   8.198   7.418
   57   1HE   LYS  11           HE2      LYS  11   2.649   9.681   5.892
   58   2HE   LYS  11           HE1      LYS  11   1.996  10.283   7.417
   59   1HZ   LYS  11           HZ1      LYS  11   3.952   8.335   7.043
   60   2HZ   LYS  11           HZ2      LYS  11   2.589   7.552   7.687
   61   3HZ   LYS  11           HZ3      LYS  11   3.280   8.869   8.506
   62    H    GLN  12           HN       GLN  12   2.964   4.515   3.832
   63    HA   GLN  12           HA       GLN  12   2.654   6.269   1.574
   64   1HB   GLN  12           HB2      GLN  12   4.462   4.058   2.358
   65   2HB   GLN  12           HB1      GLN  12   4.299   4.332   0.624
   66   1HG   GLN  12           HG2      GLN  12   5.864   5.945   0.923
   67   2HG   GLN  12           HG1      GLN  12   4.538   6.899   1.590
   68   1HE2  GLN  12          HE21      GLN  12   4.152   6.480   4.058
   69   2HE2  GLN  12          HE22      GLN  12   5.539   6.279   5.016
   70    H    CYS  13           HN       CYS  13   1.022   3.399   2.379
   71    HA   CYS  13           HA       CYS  13   0.345   2.956  -0.505
   72   1HB   CYS  13           HB2      CYS  13  -0.044   0.957   1.732
   73   2HB   CYS  13           HB1      CYS  13  -0.092   0.661  -0.005
   74    H    TYR  14           HN       TYR  14  -0.839   4.227   2.362
   75    HA   TYR  14           HA       TYR  14  -3.555   3.299   2.317
   76   1HB   TYR  14           HB2      TYR  14  -2.035   5.429   3.663
   77   2HB   TYR  14           HB1      TYR  14  -3.731   5.824   3.381
   78    HD1  TYR  14           HD1      TYR  14  -2.115   2.511   4.024
   79    HD2  TYR  14           HD2      TYR  14  -4.800   5.542   5.457
   80    HE1  TYR  14           HE1      TYR  14  -2.775   1.037   5.905
   81    HE2  TYR  14           HE2      TYR  14  -5.460   4.068   7.338
   82    HH   TYR  14           HH       TYR  14  -5.483   1.680   7.878
   83    HA   PRO  15           HA       PRO  15  -4.487   7.200  -0.281
   84   1HB   PRO  15           HB2      PRO  15  -2.345   8.641  -1.219
   85   2HB   PRO  15           HB1      PRO  15  -3.127   8.957   0.339
   86   1HG   PRO  15           HG2      PRO  15  -0.509   7.634  -0.214
   87   2HG   PRO  15           HG1      PRO  15  -1.030   8.534   1.220
   88   1HD   PRO  15           HD2      PRO  15  -0.895   5.726   0.990
   89   2HD   PRO  15           HD1      PRO  15  -1.733   6.624   2.273
   90    H    HIS  16           HN       HIS  16  -1.312   5.954  -1.368
   91    HA   HIS  16           HA       HIS  16  -1.780   6.026  -4.140
   92   1HB   HIS  16           HB2      HIS  16   0.403   5.453  -3.773
   93   2HB   HIS  16           HB1      HIS  16   0.026   4.557  -2.305
   94    HD1  HIS  16           HD1      HIS  16  -0.030   4.162  -6.082
   95    HD2  HIS  16           HD2      HIS  16  -0.197   1.804  -2.651
   96    HE1  HIS  16           HE1      HIS  16   0.132   1.757  -6.861
   97    H    CYS  17           HN       CYS  17  -2.724   3.549  -1.767
   98    HA   CYS  17           HA       CYS  17  -3.763   1.721  -3.760
   99   1HB   CYS  17           HB2      CYS  17  -3.972   1.964  -0.779
  100   2HB   CYS  17           HB1      CYS  17  -5.084   0.894  -1.629
  101    H    LYS  18           HN       LYS  18  -5.477   3.783  -1.376
  102    HA   LYS  18           HA       LYS  18  -8.077   3.460  -2.287
  103   1HB   LYS  18           HB2      LYS  18  -7.484   4.875  -0.352
  104   2HB   LYS  18           HB1      LYS  18  -6.794   6.077  -1.443
  105   1HG   LYS  18           HG2      LYS  18  -9.142   6.020  -2.589
  106   2HG   LYS  18           HG1      LYS  18  -9.677   5.307  -1.067
  107   1HD   LYS  18           HD2      LYS  18  -9.314   7.239   0.127
  108   2HD   LYS  18           HD1      LYS  18  -7.964   7.737  -0.892
  109   1HE   LYS  18           HE2      LYS  18  -9.619   8.210  -2.730
  110   2HE   LYS  18           HE1      LYS  18 -10.912   7.898  -1.571
  111   1HZ   LYS  18           HZ1      LYS  18  -9.287   9.624  -0.255
  112   2HZ   LYS  18           HZ2      LYS  18 -10.721  10.043  -1.064
  113   3HZ   LYS  18           HZ3      LYS  18  -9.222  10.202  -1.848
  114    H    LYS  19           HN       LYS  19  -5.444   5.106  -3.869
  115    HA   LYS  19           HA       LYS  19  -7.109   6.556  -5.765
  116   1HB   LYS  19           HB2      LYS  19  -4.323   6.394  -5.102
  117   2HB   LYS  19           HB1      LYS  19  -4.505   6.122  -6.835
  118   1HG   LYS  19           HG2      LYS  19  -4.474   8.422  -6.858
  119   2HG   LYS  19           HG1      LYS  19  -6.198   8.190  -6.571
  120   1HD   LYS  19           HD2      LYS  19  -5.528   9.750  -4.916
  121   2HD   LYS  19           HD1      LYS  19  -5.599   8.207  -4.063
  122   1HE   LYS  19           HE2      LYS  19  -3.525   9.282  -3.448
  123   2HE   LYS  19           HE1      LYS  19  -3.131   7.937  -4.518
  124   1HZ   LYS  19           HZ1      LYS  19  -3.645  10.522  -5.767
  125   2HZ   LYS  19           HZ2      LYS  19  -2.527   9.313  -6.187
  126   3HZ   LYS  19           HZ3      LYS  19  -2.196  10.368  -4.897
  127    H    GLU  20           HN       GLU  20  -5.088   3.607  -5.987
  128    HA   GLU  20           HA       GLU  20  -6.052   3.040  -8.687
  129   1HB   GLU  20           HB2      GLU  20  -4.246   1.658  -6.724
  130   2HB   GLU  20           HB1      GLU  20  -4.850   0.776  -8.126
  131   1HG   GLU  20           HG2      GLU  20  -3.412   3.443  -8.265
  132   2HG   GLU  20           HG1      GLU  20  -2.650   1.879  -8.560
  133    H    THR  21           HN       THR  21  -7.497   2.736  -5.711
  134    HA   THR  21           HA       THR  21  -9.383   0.726  -6.793
  135    HB   THR  21           HB       THR  21  -9.315  -0.378  -4.431
  136    HG1  THR  21           HG1      THR  21  -6.627   0.339  -4.468
  137   1HG2  THR  21          HG21      THR  21  -6.795  -1.020  -5.852
  138   2HG2  THR  21          HG22      THR  21  -8.260  -1.067  -6.834
  139   3HG2  THR  21          HG23      THR  21  -8.132  -2.076  -5.394
  140    H    GLY  22           HN       GLY  22  -8.666   2.471  -3.746
  141   1HA   GLY  22           HA2      GLY  22 -10.246   4.467  -3.370
  142   2HA   GLY  22           HA1      GLY  22 -11.534   3.312  -3.710
  143    H    TYR  23           HN       TYR  23  -9.202   1.571  -2.173
  144    HA   TYR  23           HA       TYR  23 -10.560   1.951   0.453
  145   1HB   TYR  23           HB2      TYR  23  -9.207  -0.397  -0.862
  146   2HB   TYR  23           HB1      TYR  23  -9.418  -0.351   0.889
  147    HD1  TYR  23           HD1      TYR  23 -11.446  -1.047   1.834
  148    HD2  TYR  23           HD2      TYR  23 -11.330   0.103  -2.303
  149    HE1  TYR  23           HE1      TYR  23 -13.805  -1.764   1.569
  150    HE2  TYR  23           HE2      TYR  23 -13.688  -0.615  -2.568
  151    HH   TYR  23           HH       TYR  23 -15.377  -1.765  -1.602
  152    HA   PRO  24           HA       PRO  24  -6.615   3.630   1.705
  153   1HB   PRO  24           HB2      PRO  24  -7.419   4.286   4.249
  154   2HB   PRO  24           HB1      PRO  24  -7.792   5.267   2.821
  155   1HG   PRO  24           HG2      PRO  24  -9.588   3.474   4.385
  156   2HG   PRO  24           HG1      PRO  24  -9.993   4.895   3.409
  157   1HD   PRO  24           HD2      PRO  24 -10.323   2.192   2.624
  158   2HD   PRO  24           HD1      PRO  24 -10.411   3.610   1.555
  159    H    ASN  25           HN       ASN  25  -8.072   0.772   2.650
  160    HA   ASN  25           HA       ASN  25  -6.321   0.173   4.927
  161   1HB   ASN  25           HB2      ASN  25  -8.748  -0.832   4.032
  162   2HB   ASN  25           HB1      ASN  25  -7.606  -2.117   3.628
  163   1HD2  ASN  25          HD21      ASN  25  -8.928  -0.213   6.328
  164   2HD2  ASN  25          HD22      ASN  25  -8.367  -1.246   7.553
  165    H    ALA  26           HN       ALA  26  -4.325   0.658   3.633
  166    HA   ALA  26           HA       ALA  26  -3.508  -1.751   2.057
  167   1HB   ALA  26           HB1      ALA  26  -2.005  -0.217   0.773
  168   2HB   ALA  26           HB2      ALA  26  -2.727   1.148   1.623
  169   3HB   ALA  26           HB3      ALA  26  -3.713   0.157   0.549
  170    H    LYS  27           HN       LYS  27  -1.324  -2.447   2.403
  171    HA   LYS  27           HA       LYS  27   0.014  -1.166   4.754
  172   1HB   LYS  27           HB2      LYS  27  -0.739  -3.995   4.253
  173   2HB   LYS  27           HB1      LYS  27   0.863  -3.732   4.940
  174   1HG   LYS  27           HG2      LYS  27  -0.219  -3.636   6.932
  175   2HG   LYS  27           HG1      LYS  27  -0.680  -2.010   6.428
  176   1HD   LYS  27           HD2      LYS  27  -2.821  -2.713   6.622
  177   2HD   LYS  27           HD1      LYS  27  -2.536  -3.626   5.141
  178   1HE   LYS  27           HE2      LYS  27  -1.810  -5.569   6.453
  179   2HE   LYS  27           HE1      LYS  27  -2.031  -4.660   7.948
  180   1HZ   LYS  27           HZ1      LYS  27  -4.414  -4.324   6.937
  181   2HZ   LYS  27           HZ2      LYS  27  -4.022  -5.719   7.825
  182   3HZ   LYS  27           HZ3      LYS  27  -4.037  -5.767   6.127
  183    H    CYS  28           HN       CYS  28   2.269  -0.985   4.616
  184    HA   CYS  28           HA       CYS  28   3.408  -1.516   1.919
  185   1HB   CYS  28           HB2      CYS  28   3.670   0.771   2.768
  186   2HB   CYS  28           HB1      CYS  28   4.442   0.158   4.229
  187    H    MET  29           HN       MET  29   4.155  -3.624   1.903
  188    HA   MET  29           HA       MET  29   5.977  -4.401   4.149
  189   1HB   MET  29           HB2      MET  29   3.767  -5.845   2.813
  190   2HB   MET  29           HB1      MET  29   5.235  -6.790   3.064
  191   1HG   MET  29           HG2      MET  29   4.609  -5.203   5.413
  192   2HG   MET  29           HG1      MET  29   3.254  -6.243   4.973
  193   1HE   MET  29           HE1      MET  29   4.788  -6.255   7.540
  194   2HE   MET  29           HE2      MET  29   5.338  -7.885   7.913
  195   3HE   MET  29           HE3      MET  29   3.675  -7.622   7.396
  196    H    ASN  30           HN       ASN  30   8.031  -4.257   3.372
  197    HA   ASN  30           HA       ASN  30   9.879  -4.584   1.968
  198   1HB   ASN  30           HB2      ASN  30   8.439  -6.930   1.892
  199   2HB   ASN  30           HB1      ASN  30   8.547  -6.508   0.183
  200   1HD2  ASN  30          HD21      ASN  30  10.279  -7.909   2.789
  201   2HD2  ASN  30          HD22      ASN  30  11.814  -7.926   2.063
  202    H    ARG  31           HN       ARG  31   8.287  -2.417   1.305
  203    HA   ARG  31           HA       ARG  31   7.918  -0.925  -0.465
  204   1HB   ARG  31           HB2      ARG  31   9.661  -2.943  -1.907
  205   2HB   ARG  31           HB1      ARG  31   9.170  -1.393  -2.589
  206   1HG   ARG  31           HG2      ARG  31  10.185  -0.294  -0.537
  207   2HG   ARG  31           HG1      ARG  31  10.871  -1.868  -0.131
  208   1HD   ARG  31           HD2      ARG  31  11.824  -1.859  -2.534
  209   2HD   ARG  31           HD1      ARG  31  11.453  -0.136  -2.534
  210    HE   ARG  31           HE       ARG  31  13.436   0.108  -1.302
  211   1HH1  ARG  31          HH21      ARG  31  12.240  -0.846   1.224
  212   2HH1  ARG  31          HH22      ARG  31  13.233  -2.205   1.634
  213   1HH2  ARG  31          HH11      ARG  31  14.576  -2.521  -1.546
  214   2HH2  ARG  31          HH12      ARG  31  14.556  -3.152   0.067
  215    H    LYS  32           HN       LYS  32   6.259  -3.516  -0.046
  216    HA   LYS  32           HA       LYS  32   5.030  -3.578  -2.772
  217   1HB   LYS  32           HB2      LYS  32   5.011  -5.599  -0.518
  218   2HB   LYS  32           HB1      LYS  32   3.941  -5.715  -1.913
  219   1HG   LYS  32           HG2      LYS  32   5.762  -5.953  -3.425
  220   2HG   LYS  32           HG1      LYS  32   6.934  -5.439  -2.211
  221   1HD   LYS  32           HD2      LYS  32   6.672  -7.464  -0.963
  222   2HD   LYS  32           HD1      LYS  32   5.246  -7.930  -1.892
  223   1HE   LYS  32           HE2      LYS  32   6.536  -8.358  -3.851
  224   2HE   LYS  32           HE1      LYS  32   7.952  -7.545  -3.184
  225   1HZ   LYS  32           HZ1      LYS  32   8.582  -9.570  -2.554
  226   2HZ   LYS  32           HZ2      LYS  32   7.040 -10.240  -2.805
  227   3HZ   LYS  32           HZ3      LYS  32   7.400  -9.454  -1.343
  228    H    CYS  33           HN       CYS  33   3.575  -1.858  -2.623
  229    HA   CYS  33           HA       CYS  33   1.939  -1.430  -0.253
  230   1HB   CYS  33           HB2      CYS  33   1.998  -0.268  -3.032
  231   2HB   CYS  33           HB1      CYS  33   0.655   0.087  -1.945
  232    H    LYS  34           HN       LYS  34   0.616  -3.196   0.178
  233    HA   LYS  34           HA       LYS  34  -0.941  -4.391  -2.036
  234   1HB   LYS  34           HB2      LYS  34   0.163  -5.443   0.278
  235   2HB   LYS  34           HB1      LYS  34  -1.551  -5.321   0.676
  236   1HG   LYS  34           HG2      LYS  34  -2.180  -6.830  -0.950
  237   2HG   LYS  34           HG1      LYS  34  -0.836  -6.407  -2.011
  238   1HD   LYS  34           HD2      LYS  34   0.662  -7.792  -0.895
  239   2HD   LYS  34           HD1      LYS  34  -0.248  -7.729   0.615
  240   1HE   LYS  34           HE2      LYS  34  -2.031  -8.867  -1.208
  241   2HE   LYS  34           HE1      LYS  34  -0.480  -9.612  -1.598
  242   1HZ   LYS  34           HZ1      LYS  34  -1.886  -9.583   1.008
  243   2HZ   LYS  34           HZ2      LYS  34  -0.243  -9.995   0.866
  244   3HZ   LYS  34           HZ3      LYS  34  -1.427 -10.927   0.082
  245    H    CYS  35           HN       CYS  35  -3.050  -3.873  -2.412
  246    HA   CYS  35           HA       CYS  35  -4.356  -2.003  -0.493
  247   1HB   CYS  35           HB2      CYS  35  -5.307  -2.628  -3.291
  248   2HB   CYS  35           HB1      CYS  35  -5.654  -1.204  -2.310
  249    H    PHE  36           HN       PHE  36  -6.094  -2.697   0.662
  250    HA   PHE  36           HA       PHE  36  -7.054  -5.455   0.215
  251   1HB   PHE  36           HB2      PHE  36  -7.102  -3.497   2.445
  252   2HB   PHE  36           HB1      PHE  36  -8.501  -4.566   2.332
  253    HD1  PHE  36           HD1      PHE  36  -4.762  -4.577   2.359
  254    HD2  PHE  36           HD2      PHE  36  -8.368  -6.795   3.077
  255    HE1  PHE  36           HE1      PHE  36  -3.430  -6.429   3.330
  256    HE2  PHE  36           HE2      PHE  36  -7.036  -8.649   4.048
  257    HZ   PHE  36           HZ       PHE  36  -4.566  -8.465   4.174
  258    H    GLY  37           HN       GLY  37  -7.750  -2.936  -1.464
  259   1HA   GLY  37           HA2      GLY  37 -10.660  -2.752  -1.052
  260   2HA   GLY  37           HA1      GLY  37  -9.728  -1.873  -2.265
  261    H    ARG  38           HN       ARG  38  -9.940  -5.380  -1.613
  262    HA   ARG  38           HA       ARG  38 -11.496  -5.867  -4.029
  263   1HB   ARG  38           HB2      ARG  38  -8.557  -5.931  -4.108
  264   2HB   ARG  38           HB1      ARG  38  -9.310  -7.420  -4.680
  265   1HG   ARG  38           HG2      ARG  38 -10.134  -6.424  -6.544
  266   2HG   ARG  38           HG1      ARG  38 -10.623  -4.978  -5.661
  267   1HD   ARG  38           HD2      ARG  38  -8.747  -4.703  -7.408
  268   2HD   ARG  38           HD1      ARG  38  -8.462  -4.017  -5.809
  269    HE   ARG  38           HE       ARG  38  -6.660  -5.510  -5.618
  270   1HH1  ARG  38          HH11      ARG  38  -8.742  -6.440  -8.173
  271   2HH1  ARG  38          HH12      ARG  38  -8.005  -7.990  -8.402
  272   1HH2  ARG  38          HH21      ARG  38  -5.830  -7.647  -5.724
  273   2HH2  ARG  38          HH22      ARG  38  -6.356  -8.673  -7.016
  Start of MODEL   16
    1   1H    THR   4           HT1      THR   4   5.644  -3.126  -6.666
    2   2H    THR   4           HT2      THR   4   7.109  -2.749  -7.438
    3   3H    THR   4           HT3      THR   4   5.890  -3.580  -8.281
    4    HA   THR   4           HA       THR   4   5.894  -1.313  -8.996
    5    HB   THR   4           HB       THR   4   3.592  -1.915  -7.120
    6    HG1  THR   4           HG1      THR   4   3.184  -3.383  -8.538
    7   1HG2  THR   4          HG21      THR   4   3.408  -0.280  -9.628
    8   2HG2  THR   4          HG22      THR   4   3.977   0.479  -8.141
    9   3HG2  THR   4          HG23      THR   4   2.373  -0.251  -8.201
   10    H    ILE   5           HN       ILE   5   4.094  -0.332  -6.262
   11    HA   ILE   5           HA       ILE   5   5.726   1.948  -5.790
   12    HB   ILE   5           HB       ILE   5   3.795   0.696  -3.863
   13   1HG1  ILE   5          HG12      ILE   5   2.892   1.047  -6.228
   14   2HG1  ILE   5          HG11      ILE   5   2.023   1.891  -4.948
   15   1HG2  ILE   5          HG21      ILE   5   3.476   3.303  -3.512
   16   2HG2  ILE   5          HG22      ILE   5   5.121   3.348  -4.149
   17   3HG2  ILE   5          HG23      ILE   5   4.765   2.424  -2.688
   18   1HD1  ILE   5          HD11      ILE   5   2.910   3.973  -5.533
   19   2HD1  ILE   5          HD12      ILE   5   2.709   3.207  -7.108
   20   3HD1  ILE   5          HD13      ILE   5   4.301   3.260  -6.352
   21    H    SER   6           HN       SER   6   6.674   2.389  -3.518
   22    HA   SER   6           HA       SER   6   7.767  -0.003  -2.185
   23   1HB   SER   6           HB2      SER   6   9.679   2.099  -3.214
   24   2HB   SER   6           HB1      SER   6  10.063   0.516  -2.542
   25    HG   SER   6           HG       SER   6  10.142   0.133  -4.657
   26    H    CYS   7           HN       CYS   7   7.557   0.419  -0.045
   27    HA   CYS   7           HA       CYS   7   8.287   3.096   0.980
   28   1HB   CYS   7           HB2      CYS   7   6.088   2.997   2.374
   29   2HB   CYS   7           HB1      CYS   7   5.995   3.543   0.701
   30    H    THR   8           HN       THR   8   7.725   2.937   3.551
   31    HA   THR   8           HA       THR   8   8.642   0.251   4.482
   32    HB   THR   8           HB       THR   8  10.579   1.732   4.543
   33    HG1  THR   8           HG1      THR   8   9.792   1.866   7.195
   34   1HG2  THR   8          HG21      THR   8  10.447   3.932   5.028
   35   2HG2  THR   8          HG22      THR   8   9.531   3.627   6.504
   36   3HG2  THR   8          HG23      THR   8   8.697   3.732   4.954
   37    H    ASN   9           HN       ASN   9   6.043   1.898   4.379
   38    HA   ASN   9           HA       ASN   9   5.136   1.141   7.064
   39   1HB   ASN   9           HB2      ASN   9   5.560   3.978   6.240
   40   2HB   ASN   9           HB1      ASN   9   4.083   3.610   7.131
   41   1HD2  ASN   9          HD21      ASN   9   4.279   2.988   9.365
   42   2HD2  ASN   9          HD22      ASN   9   5.756   3.043  10.200
   43    H    GLU  10           HN       GLU  10   2.888   0.800   7.079
   44    HA   GLU  10           HA       GLU  10   1.605   0.284   4.599
   45   1HB   GLU  10           HB2      GLU  10   0.098   0.925   7.134
   46   2HB   GLU  10           HB1      GLU  10  -0.326  -0.226   5.867
   47   1HG   GLU  10           HG2      GLU  10   1.972  -1.343   6.538
   48   2HG   GLU  10           HG1      GLU  10   1.704  -0.485   8.057
   49    H    LYS  11           HN       LYS  11   1.763   3.194   6.549
   50    HA   LYS  11           HA       LYS  11  -0.452   4.607   5.485
   51   1HB   LYS  11           HB2      LYS  11   0.915   5.388   7.405
   52   2HB   LYS  11           HB1      LYS  11   2.244   5.732   6.297
   53   1HG   LYS  11           HG2      LYS  11   0.095   7.010   5.104
   54   2HG   LYS  11           HG1      LYS  11  -0.185   7.281   6.824
   55   1HD   LYS  11           HD2      LYS  11   2.547   7.700   6.552
   56   2HD   LYS  11           HD1      LYS  11   1.877   8.409   5.082
   57   1HE   LYS  11           HE2      LYS  11   1.105  10.176   6.240
   58   2HE   LYS  11           HE1      LYS  11   0.209   9.108   7.322
   59   1HZ   LYS  11           HZ1      LYS  11   2.895  10.240   7.627
   60   2HZ   LYS  11           HZ2      LYS  11   2.576   8.719   8.316
   61   3HZ   LYS  11           HZ3      LYS  11   1.658  10.072   8.774
   62    H    GLN  12           HN       GLN  12   2.830   4.191   4.210
   63    HA   GLN  12           HA       GLN  12   2.687   6.093   2.108
   64   1HB   GLN  12           HB2      GLN  12   4.205   3.508   2.441
   65   2HB   GLN  12           HB1      GLN  12   4.352   4.475   0.973
   66   1HG   GLN  12           HG2      GLN  12   4.583   5.996   3.499
   67   2HG   GLN  12           HG1      GLN  12   5.891   4.851   3.194
   68   1HE2  GLN  12          HE21      GLN  12   5.818   7.911   3.005
   69   2HE2  GLN  12          HE22      GLN  12   6.391   8.248   1.443
   70    H    CYS  13           HN       CYS  13   1.219   2.937   2.417
   71    HA   CYS  13           HA       CYS  13   0.528   2.902  -0.468
   72   1HB   CYS  13           HB2      CYS  13  -0.213   0.865   1.647
   73   2HB   CYS  13           HB1      CYS  13  -0.229   0.648  -0.103
   74    H    TYR  14           HN       TYR  14  -0.810   3.927   2.506
   75    HA   TYR  14           HA       TYR  14  -3.547   3.383   2.233
   76   1HB   TYR  14           HB2      TYR  14  -1.931   5.403   3.617
   77   2HB   TYR  14           HB1      TYR  14  -3.564   5.943   3.226
   78    HD1  TYR  14           HD1      TYR  14  -1.737   3.003   4.669
   79    HD2  TYR  14           HD2      TYR  14  -5.346   5.323   4.602
   80    HE1  TYR  14           HE1      TYR  14  -2.641   1.643   6.534
   81    HE2  TYR  14           HE2      TYR  14  -6.255   3.965   6.468
   82    HH   TYR  14           HH       TYR  14  -5.475   2.551   8.259
   83    HA   PRO  15           HA       PRO  15  -4.040   7.298  -0.470
   84   1HB   PRO  15           HB2      PRO  15  -1.751   8.384  -1.538
   85   2HB   PRO  15           HB1      PRO  15  -2.446   8.886   0.014
   86   1HG   PRO  15           HG2      PRO  15  -0.041   7.197  -0.511
   87   2HG   PRO  15           HG1      PRO  15  -0.401   8.236   0.877
   88   1HD   PRO  15           HD2      PRO  15  -0.642   5.429   0.814
   89   2HD   PRO  15           HD1      PRO  15  -1.332   6.499   2.054
   90    H    HIS  16           HN       HIS  16  -1.009   5.882  -1.749
   91    HA   HIS  16           HA       HIS  16  -1.701   5.779  -4.443
   92   1HB   HIS  16           HB2      HIS  16   0.486   5.131  -4.106
   93   2HB   HIS  16           HB1      HIS  16   0.099   4.195  -2.667
   94    HD1  HIS  16           HD1      HIS  16  -0.053   3.977  -6.449
   95    HD2  HIS  16           HD2      HIS  16  -0.358   1.484  -3.124
   96    HE1  HIS  16           HE1      HIS  16  -0.071   1.604  -7.335
   97    H    CYS  17           HN       CYS  17  -2.871   3.751  -1.832
   98    HA   CYS  17           HA       CYS  17  -4.046   1.768  -3.639
   99   1HB   CYS  17           HB2      CYS  17  -3.942   2.198  -0.698
  100   2HB   CYS  17           HB1      CYS  17  -5.332   1.308  -1.316
  101    H    LYS  18           HN       LYS  18  -5.282   4.464  -1.651
  102    HA   LYS  18           HA       LYS  18  -8.023   4.176  -2.088
  103   1HB   LYS  18           HB2      LYS  18  -6.515   6.081  -0.910
  104   2HB   LYS  18           HB1      LYS  18  -6.946   6.933  -2.393
  105   1HG   LYS  18           HG2      LYS  18  -9.328   5.715  -1.579
  106   2HG   LYS  18           HG1      LYS  18  -8.606   6.309  -0.083
  107   1HD   LYS  18           HD2      LYS  18  -9.021   7.964  -2.591
  108   2HD   LYS  18           HD1      LYS  18 -10.044   8.026  -1.155
  109   1HE   LYS  18           HE2      LYS  18  -7.448   8.324  -0.164
  110   2HE   LYS  18           HE1      LYS  18  -7.468   9.295  -1.635
  111   1HZ   LYS  18           HZ1      LYS  18  -8.237  10.397   0.504
  112   2HZ   LYS  18           HZ2      LYS  18  -9.645   9.458   0.356
  113   3HZ   LYS  18           HZ3      LYS  18  -9.234  10.574  -0.857
  114    H    LYS  19           HN       LYS  19  -5.584   5.496  -4.293
  115    HA   LYS  19           HA       LYS  19  -7.588   6.226  -6.298
  116   1HB   LYS  19           HB2      LYS  19  -4.802   6.731  -5.862
  117   2HB   LYS  19           HB1      LYS  19  -5.000   6.039  -7.472
  118   1HG   LYS  19           HG2      LYS  19  -6.697   7.715  -8.021
  119   2HG   LYS  19           HG1      LYS  19  -6.596   8.380  -6.390
  120   1HD   LYS  19           HD2      LYS  19  -4.023   8.166  -7.850
  121   2HD   LYS  19           HD1      LYS  19  -5.166   9.353  -8.482
  122   1HE   LYS  19           HE2      LYS  19  -5.256   9.656  -5.688
  123   2HE   LYS  19           HE1      LYS  19  -3.546   9.481  -6.081
  124   1HZ   LYS  19           HZ1      LYS  19  -5.300  11.665  -6.595
  125   2HZ   LYS  19           HZ2      LYS  19  -4.556  11.127  -8.025
  126   3HZ   LYS  19           HZ3      LYS  19  -3.608  11.597  -6.696
  127    H    GLU  20           HN       GLU  20  -5.032   3.721  -6.095
  128    HA   GLU  20           HA       GLU  20  -5.664   2.428  -8.541
  129   1HB   GLU  20           HB2      GLU  20  -3.689   2.066  -6.836
  130   2HB   GLU  20           HB1      GLU  20  -4.760   0.834  -6.166
  131   1HG   GLU  20           HG2      GLU  20  -5.013   0.044  -8.637
  132   2HG   GLU  20           HG1      GLU  20  -3.541   0.975  -8.915
  133    H    THR  21           HN       THR  21  -7.487   2.592  -5.658
  134    HA   THR  21           HA       THR  21  -9.398   0.626  -6.774
  135    HB   THR  21           HB       THR  21  -9.566  -0.139  -4.201
  136    HG1  THR  21           HG1      THR  21  -7.878   0.469  -3.146
  137   1HG2  THR  21          HG21      THR  21  -7.541  -1.191  -6.195
  138   2HG2  THR  21          HG22      THR  21  -9.252  -1.620  -6.145
  139   3HG2  THR  21          HG23      THR  21  -8.186  -2.085  -4.819
  140    H    GLY  22           HN       GLY  22  -9.017   2.252  -3.617
  141   1HA   GLY  22           HA2      GLY  22 -10.552   4.480  -3.802
  142   2HA   GLY  22           HA1      GLY  22 -11.789   3.222  -3.804
  143    H    TYR  23           HN       TYR  23  -9.818   1.590  -2.063
  144    HA   TYR  23           HA       TYR  23 -10.785   2.734   0.494
  145   1HB   TYR  23           HB2      TYR  23  -9.314   0.118   0.151
  146   2HB   TYR  23           HB1      TYR  23 -10.422   0.588   1.441
  147    HD1  TYR  23           HD1      TYR  23 -10.189  -0.310  -2.154
  148    HD2  TYR  23           HD2      TYR  23 -12.796   0.363   1.194
  149    HE1  TYR  23           HE1      TYR  23 -12.082  -1.266  -3.438
  150    HE2  TYR  23           HE2      TYR  23 -14.691  -0.593  -0.090
  151    HH   TYR  23           HH       TYR  23 -14.639  -1.036  -3.386
  152    HA   PRO  24           HA       PRO  24  -6.704   4.239   1.337
  153   1HB   PRO  24           HB2      PRO  24  -7.172   4.944   3.952
  154   2HB   PRO  24           HB1      PRO  24  -7.735   5.899   2.569
  155   1HG   PRO  24           HG2      PRO  24  -9.301   4.140   4.394
  156   2HG   PRO  24           HG1      PRO  24  -9.842   5.532   3.441
  157   1HD   PRO  24           HD2      PRO  24 -10.235   2.800   2.781
  158   2HD   PRO  24           HD1      PRO  24 -10.505   4.189   1.706
  159    H    ASN  25           HN       ASN  25  -8.312   1.885   3.444
  160    HA   ASN  25           HA       ASN  25  -6.148   1.143   5.096
  161   1HB   ASN  25           HB2      ASN  25  -8.733   0.142   4.510
  162   2HB   ASN  25           HB1      ASN  25  -7.615  -1.206   4.290
  163   1HD2  ASN  25          HD21      ASN  25  -9.494  -1.049   6.502
  164   2HD2  ASN  25          HD22      ASN  25  -8.590  -0.925   7.934
  165    H    ALA  26           HN       ALA  26  -4.139   0.594   4.401
  166    HA   ALA  26           HA       ALA  26  -3.885  -1.512   2.342
  167   1HB   ALA  26           HB1      ALA  26  -1.990   0.014   1.321
  168   2HB   ALA  26           HB2      ALA  26  -2.943   1.321   2.023
  169   3HB   ALA  26           HB3      ALA  26  -3.667   0.245   0.828
  170    H    LYS  27           HN       LYS  27  -1.538  -2.236   2.201
  171    HA   LYS  27           HA       LYS  27  -0.100  -1.725   4.772
  172   1HB   LYS  27           HB2      LYS  27   0.567  -4.147   4.724
  173   2HB   LYS  27           HB1      LYS  27  -1.163  -3.901   4.966
  174   1HG   LYS  27           HG2      LYS  27  -0.832  -3.967   2.182
  175   2HG   LYS  27           HG1      LYS  27   0.206  -5.256   2.792
  176   1HD   LYS  27           HD2      LYS  27  -2.726  -4.875   3.465
  177   2HD   LYS  27           HD1      LYS  27  -2.065  -6.106   2.388
  178   1HE   LYS  27           HE2      LYS  27  -0.549  -6.557   4.585
  179   2HE   LYS  27           HE1      LYS  27  -2.023  -5.969   5.352
  180   1HZ   LYS  27           HZ1      LYS  27  -2.544  -7.813   3.228
  181   2HZ   LYS  27           HZ2      LYS  27  -3.100  -7.827   4.833
  182   3HZ   LYS  27           HZ3      LYS  27  -1.588  -8.500   4.449
  183    H    CYS  28           HN       CYS  28   2.195  -1.792   4.612
  184    HA   CYS  28           HA       CYS  28   3.207  -1.688   1.801
  185   1HB   CYS  28           HB2      CYS  28   3.418   0.423   3.104
  186   2HB   CYS  28           HB1      CYS  28   4.390  -0.435   4.298
  187    H    MET  29           HN       MET  29   4.380  -3.449   1.243
  188    HA   MET  29           HA       MET  29   5.662  -5.056   3.398
  189   1HB   MET  29           HB2      MET  29   4.853  -5.642   0.547
  190   2HB   MET  29           HB1      MET  29   5.957  -6.703   1.420
  191   1HG   MET  29           HG2      MET  29   4.210  -6.780   3.277
  192   2HG   MET  29           HG1      MET  29   3.104  -6.011   2.139
  193   1HE   MET  29           HE1      MET  29   6.007  -8.595   1.373
  194   2HE   MET  29           HE2      MET  29   5.147 -10.100   1.690
  195   3HE   MET  29           HE3      MET  29   5.366  -8.928   2.988
  196    H    ASN  30           HN       ASN  30   7.681  -6.288   1.903
  197    HA   ASN  30           HA       ASN  30   9.849  -4.532   2.110
  198   1HB   ASN  30           HB2      ASN  30   9.518  -7.174   1.365
  199   2HB   ASN  30           HB1      ASN  30  10.131  -6.432  -0.112
  200   1HD2  ASN  30          HD21      ASN  30  10.833  -6.463   3.431
  201   2HD2  ASN  30          HD22      ASN  30  12.517  -6.366   3.243
  202    H    ARG  31           HN       ARG  31   9.246  -2.486   1.187
  203    HA   ARG  31           HA       ARG  31   9.065  -0.898  -0.528
  204   1HB   ARG  31           HB2      ARG  31  10.873  -3.015  -1.655
  205   2HB   ARG  31           HB1      ARG  31  10.348  -1.685  -2.689
  206   1HG   ARG  31           HG2      ARG  31  11.210  -0.054  -1.074
  207   2HG   ARG  31           HG1      ARG  31  11.691  -1.359   0.011
  208   1HD   ARG  31           HD2      ARG  31  12.797  -1.960  -2.535
  209   2HD   ARG  31           HD1      ARG  31  13.141  -0.259  -2.215
  210    HE   ARG  31           HE       ARG  31  14.126  -2.553  -0.628
  211   1HH1  ARG  31          HH21      ARG  31  13.079   0.438   0.280
  212   2HH1  ARG  31          HH22      ARG  31  14.616   1.045   0.799
  213   1HH2  ARG  31          HH11      ARG  31  16.412  -1.600  -0.539
  214   2HH2  ARG  31          HH12      ARG  31  16.502  -0.109   0.337
  215    H    LYS  32           HN       LYS  32   6.783  -2.409  -0.258
  216    HA   LYS  32           HA       LYS  32   5.802  -2.454  -3.051
  217   1HB   LYS  32           HB2      LYS  32   5.477  -4.792  -1.140
  218   2HB   LYS  32           HB1      LYS  32   4.694  -4.648  -2.715
  219   1HG   LYS  32           HG2      LYS  32   7.201  -4.236  -3.521
  220   2HG   LYS  32           HG1      LYS  32   7.564  -5.163  -2.066
  221   1HD   LYS  32           HD2      LYS  32   5.617  -6.722  -3.058
  222   2HD   LYS  32           HD1      LYS  32   6.203  -6.028  -4.570
  223   1HE   LYS  32           HE2      LYS  32   8.527  -6.688  -3.917
  224   2HE   LYS  32           HE1      LYS  32   7.859  -7.497  -2.500
  225   1HZ   LYS  32           HZ1      LYS  32   7.707  -8.248  -5.314
  226   2HZ   LYS  32           HZ2      LYS  32   6.341  -8.571  -4.357
  227   3HZ   LYS  32           HZ3      LYS  32   7.851  -9.226  -3.937
  228    H    CYS  33           HN       CYS  33   3.338  -2.605  -3.042
  229    HA   CYS  33           HA       CYS  33   2.178  -1.634  -0.472
  230   1HB   CYS  33           HB2      CYS  33   2.203  -0.251  -3.128
  231   2HB   CYS  33           HB1      CYS  33   0.770  -0.093  -2.113
  232    H    LYS  34           HN       LYS  34   0.119  -2.411  -0.081
  233    HA   LYS  34           HA       LYS  34  -1.248  -3.856  -2.306
  234   1HB   LYS  34           HB2      LYS  34  -0.064  -5.496  -0.854
  235   2HB   LYS  34           HB1      LYS  34  -0.958  -4.877   0.536
  236   1HG   LYS  34           HG2      LYS  34  -2.644  -6.279   0.037
  237   2HG   LYS  34           HG1      LYS  34  -2.872  -5.418  -1.486
  238   1HD   LYS  34           HD2      LYS  34  -0.711  -7.499  -1.218
  239   2HD   LYS  34           HD1      LYS  34  -2.372  -7.972  -1.576
  240   1HE   LYS  34           HE2      LYS  34  -2.019  -5.917  -3.345
  241   2HE   LYS  34           HE1      LYS  34  -0.395  -6.602  -3.290
  242   1HZ   LYS  34           HZ1      LYS  34  -2.828  -7.714  -4.368
  243   2HZ   LYS  34           HZ2      LYS  34  -1.935  -8.800  -3.416
  244   3HZ   LYS  34           HZ3      LYS  34  -1.213  -8.052  -4.760
  245    H    CYS  35           HN       CYS  35  -3.532  -3.771  -2.193
  246    HA   CYS  35           HA       CYS  35  -4.579  -1.809  -0.199
  247   1HB   CYS  35           HB2      CYS  35  -5.936  -2.658  -2.766
  248   2HB   CYS  35           HB1      CYS  35  -6.256  -1.224  -1.790
  249    H    PHE  36           HN       PHE  36  -6.573  -2.298   0.876
  250    HA   PHE  36           HA       PHE  36  -6.947  -5.147   1.390
  251   1HB   PHE  36           HB2      PHE  36  -7.910  -2.593   2.548
  252   2HB   PHE  36           HB1      PHE  36  -9.016  -3.959   2.692
  253    HD1  PHE  36           HD1      PHE  36  -6.031  -2.413   3.969
  254    HD2  PHE  36           HD2      PHE  36  -8.088  -6.169   3.624
  255    HE1  PHE  36           HE1      PHE  36  -4.657  -3.337   5.815
  256    HE2  PHE  36           HE2      PHE  36  -6.714  -7.091   5.470
  257    HZ   PHE  36           HZ       PHE  36  -4.997  -5.676   6.565
  258    H    GLY  37           HN       GLY  37  -9.107  -2.553   0.168
  259   1HA   GLY  37           HA2      GLY  37 -11.086  -2.737  -1.093
  260   2HA   GLY  37           HA1      GLY  37 -10.169  -3.934  -2.009
  261    H    ARG  38           HN       ARG  38 -10.751  -4.484   1.373
  262    HA   ARG  38           HA       ARG  38 -11.798  -6.347   2.379
  263   1HB   ARG  38           HB2      ARG  38 -14.191  -6.271   2.181
  264   2HB   ARG  38           HB1      ARG  38 -13.619  -4.608   2.054
  265   1HG   ARG  38           HG2      ARG  38 -13.884  -4.597  -0.322
  266   2HG   ARG  38           HG1      ARG  38 -14.117  -6.345  -0.373
  267   1HD   ARG  38           HD2      ARG  38 -16.177  -5.974   1.094
  268   2HD   ARG  38           HD1      ARG  38 -16.001  -4.256   0.736
  269    HE   ARG  38           HE       ARG  38 -15.964  -5.476  -1.758
  270   1HH1  ARG  38          HH11      ARG  38 -18.079  -5.007   0.910
  271   2HH1  ARG  38          HH12      ARG  38 -19.505  -5.453   0.034
  272   1HH2  ARG  38          HH21      ARG  38 -17.795  -6.254  -2.871
  273   2HH2  ARG  38          HH22      ARG  38 -19.346  -6.155  -2.106
  Start of MODEL   17
    1   1H    THR   4           HT1      THR   4   4.798  -4.452  -3.704
    2   2H    THR   4           HT2      THR   4   5.872  -5.348  -4.668
    3   3H    THR   4           HT3      THR   4   4.281  -5.894  -4.434
    4    HA   THR   4           HA       THR   4   4.652  -4.863  -6.634
    5    HB   THR   4           HB       THR   4   2.707  -3.527  -4.735
    6    HG1  THR   4           HG1      THR   4   2.753  -5.866  -6.261
    7   1HG2  THR   4          HG21      THR   4   3.387  -2.737  -7.323
    8   2HG2  THR   4          HG22      THR   4   1.910  -2.312  -6.458
    9   3HG2  THR   4          HG23      THR   4   1.930  -3.708  -7.536
   10    H    ILE   5           HN       ILE   5   3.655  -1.930  -5.161
   11    HA   ILE   5           HA       ILE   5   5.610  -0.376  -6.527
   12    HB   ILE   5           HB       ILE   5   3.308   0.272  -5.408
   13   1HG1  ILE   5          HG12      ILE   5   4.951   2.593  -5.028
   14   2HG1  ILE   5          HG11      ILE   5   5.523   1.697  -6.436
   15   1HG2  ILE   5          HG21      ILE   5   3.319   1.048  -3.252
   16   2HG2  ILE   5          HG22      ILE   5   5.023   1.494  -3.308
   17   3HG2  ILE   5          HG23      ILE   5   4.558  -0.195  -3.098
   18   1HD1  ILE   5          HD11      ILE   5   2.581   2.203  -6.050
   19   2HD1  ILE   5          HD12      ILE   5   3.459   1.867  -7.542
   20   3HD1  ILE   5          HD13      ILE   5   3.612   3.442  -6.765
   21    H    SER   6           HN       SER   6   6.472   1.378  -4.441
   22    HA   SER   6           HA       SER   6   8.324  -0.367  -2.876
   23   1HB   SER   6           HB2      SER   6   9.056   1.287  -5.053
   24   2HB   SER   6           HB1      SER   6   9.602   2.118  -3.599
   25    HG   SER   6           HG       SER   6  10.353  -0.349  -4.665
   26    H    CYS   7           HN       CYS   7   7.464   0.021  -0.853
   27    HA   CYS   7           HA       CYS   7   7.603   2.823   0.117
   28   1HB   CYS   7           HB2      CYS   7   5.382   2.627   1.179
   29   2HB   CYS   7           HB1      CYS   7   5.258   2.466  -0.573
   30    H    THR   8           HN       THR   8   6.766   2.559   2.645
   31    HA   THR   8           HA       THR   8   8.085   0.151   3.796
   32    HB   THR   8           HB       THR   8   9.836   1.811   3.860
   33    HG1  THR   8           HG1      THR   8   9.599   2.351   6.282
   34   1HG2  THR   8          HG21      THR   8   8.110   3.748   5.358
   35   2HG2  THR   8          HG22      THR   8   7.990   3.684   3.599
   36   3HG2  THR   8          HG23      THR   8   9.536   4.055   4.364
   37    H    ASN   9           HN       ASN   9   6.317   3.162   4.560
   38    HA   ASN   9           HA       ASN   9   5.001   1.810   6.836
   39   1HB   ASN   9           HB2      ASN   9   4.506   4.620   5.822
   40   2HB   ASN   9           HB1      ASN   9   4.164   3.975   7.428
   41   1HD2  ASN   9          HD21      ASN   9   6.230   6.063   6.061
   42   2HD2  ASN   9          HD22      ASN   9   7.645   5.746   6.947
   43    H    GLU  10           HN       GLU  10   2.688   1.559   6.924
   44    HA   GLU  10           HA       GLU  10   1.479   0.767   4.447
   45   1HB   GLU  10           HB2      GLU  10  -0.507   0.339   5.731
   46   2HB   GLU  10           HB1      GLU  10   0.863  -0.086   6.754
   47   1HG   GLU  10           HG2      GLU  10  -0.329   2.681   6.871
   48   2HG   GLU  10           HG1      GLU  10  -1.048   1.355   7.780
   49    H    LYS  11           HN       LYS  11   1.722   3.820   6.043
   50    HA   LYS  11           HA       LYS  11  -0.618   5.061   4.895
   51   1HB   LYS  11           HB2      LYS  11   0.368   6.130   6.793
   52   2HB   LYS  11           HB1      LYS  11   1.959   6.162   6.034
   53   1HG   LYS  11           HG2      LYS  11   1.491   8.045   4.860
   54   2HG   LYS  11           HG1      LYS  11  -0.134   7.493   4.451
   55   1HD   LYS  11           HD2      LYS  11  -0.700   9.213   5.873
   56   2HD   LYS  11           HD1      LYS  11  -0.516   7.927   7.067
   57   1HE   LYS  11           HE2      LYS  11   2.035   9.192   6.436
   58   2HE   LYS  11           HE1      LYS  11   0.858  10.355   7.047
   59   1HZ   LYS  11           HZ1      LYS  11   0.879   9.433   9.069
   60   2HZ   LYS  11           HZ2      LYS  11   2.352   8.736   8.585
   61   3HZ   LYS  11           HZ3      LYS  11   0.909   7.845   8.471
   62    H    GLN  12           HN       GLN  12   2.502   4.246   3.642
   63    HA   GLN  12           HA       GLN  12   2.679   6.234   1.579
   64   1HB   GLN  12           HB2      GLN  12   3.893   3.518   2.013
   65   2HB   GLN  12           HB1      GLN  12   4.100   4.331   0.462
   66   1HG   GLN  12           HG2      GLN  12   4.856   5.448   3.178
   67   2HG   GLN  12           HG1      GLN  12   5.974   4.885   1.935
   68   1HE2  GLN  12          HE21      GLN  12   4.452   7.664   3.128
   69   2HE2  GLN  12          HE22      GLN  12   4.654   8.661   1.770
   70    H    CYS  13           HN       CYS  13   1.010   3.125   1.784
   71    HA   CYS  13           HA       CYS  13   0.160   3.425  -1.056
   72   1HB   CYS  13           HB2      CYS  13   0.718   1.172   0.666
   73   2HB   CYS  13           HB1      CYS  13  -0.925   1.058   0.033
   74    H    TYR  14           HN       TYR  14  -0.879   4.589   1.777
   75    HA   TYR  14           HA       TYR  14  -3.635   3.766   1.876
   76   1HB   TYR  14           HB2      TYR  14  -1.949   5.802   3.166
   77   2HB   TYR  14           HB1      TYR  14  -3.632   6.290   2.967
   78    HD1  TYR  14           HD1      TYR  14  -4.539   6.084   5.138
   79    HD2  TYR  14           HD2      TYR  14  -2.245   2.860   3.467
   80    HE1  TYR  14           HE1      TYR  14  -5.189   4.636   7.042
   81    HE2  TYR  14           HE2      TYR  14  -2.894   1.411   5.372
   82    HH   TYR  14           HH       TYR  14  -4.377   2.641   8.195
   83    HA   PRO  15           HA       PRO  15  -4.522   7.725  -0.647
   84   1HB   PRO  15           HB2      PRO  15  -2.369   9.137  -1.604
   85   2HB   PRO  15           HB1      PRO  15  -3.111   9.437  -0.022
   86   1HG   PRO  15           HG2      PRO  15  -0.534   8.074  -0.659
   87   2HG   PRO  15           HG1      PRO  15  -1.008   8.949   0.807
   88   1HD   PRO  15           HD2      PRO  15  -0.938   6.139   0.506
   89   2HD   PRO  15           HD1      PRO  15  -1.722   7.031   1.827
   90    H    HIS  16           HN       HIS  16  -1.568   6.045  -1.702
   91    HA   HIS  16           HA       HIS  16  -1.945   6.351  -4.506
   92   1HB   HIS  16           HB2      HIS  16   0.121   5.446  -4.295
   93   2HB   HIS  16           HB1      HIS  16  -0.255   4.787  -2.708
   94    HD1  HIS  16           HD1      HIS  16   0.174   3.835  -6.240
   95    HD2  HIS  16           HD2      HIS  16  -1.538   2.151  -2.834
   96    HE1  HIS  16           HE1      HIS  16  -0.141   1.371  -6.742
   97    H    CYS  17           HN       CYS  17  -2.910   3.648  -2.361
   98    HA   CYS  17           HA       CYS  17  -4.362   2.302  -4.481
   99   1HB   CYS  17           HB2      CYS  17  -3.866   1.881  -1.605
  100   2HB   CYS  17           HB1      CYS  17  -5.432   1.296  -2.168
  101    H    LYS  18           HN       LYS  18  -5.245   4.597  -1.934
  102    HA   LYS  18           HA       LYS  18  -8.068   4.333  -2.126
  103   1HB   LYS  18           HB2      LYS  18  -6.755   5.706  -0.429
  104   2HB   LYS  18           HB1      LYS  18  -6.603   6.944  -1.675
  105   1HG   LYS  18           HG2      LYS  18  -9.345   6.009  -1.465
  106   2HG   LYS  18           HG1      LYS  18  -8.758   6.609   0.088
  107   1HD   LYS  18           HD2      LYS  18  -8.488   8.127  -2.522
  108   2HD   LYS  18           HD1      LYS  18  -9.785   8.393  -1.356
  109   1HE   LYS  18           HE2      LYS  18  -7.797   8.642   0.353
  110   2HE   LYS  18           HE1      LYS  18  -6.855   8.988  -1.097
  111   1HZ   LYS  18           HZ1      LYS  18  -7.605  11.061  -0.744
  112   2HZ   LYS  18           HZ2      LYS  18  -8.936  10.553   0.182
  113   3HZ   LYS  18           HZ3      LYS  18  -9.008  10.499  -1.515
  114    H    LYS  19           HN       LYS  19  -5.766   6.186  -4.085
  115    HA   LYS  19           HA       LYS  19  -7.890   7.419  -5.675
  116   1HB   LYS  19           HB2      LYS  19  -5.574   8.416  -5.226
  117   2HB   LYS  19           HB1      LYS  19  -4.962   7.253  -6.405
  118   1HG   LYS  19           HG2      LYS  19  -5.555   8.673  -8.045
  119   2HG   LYS  19           HG1      LYS  19  -7.241   8.441  -7.583
  120   1HD   LYS  19           HD2      LYS  19  -6.999  10.242  -5.886
  121   2HD   LYS  19           HD1      LYS  19  -5.342  10.504  -6.429
  122   1HE   LYS  19           HE2      LYS  19  -7.470  10.530  -8.515
  123   2HE   LYS  19           HE1      LYS  19  -7.400  11.911  -7.421
  124   1HZ   LYS  19           HZ1      LYS  19  -5.213  12.385  -8.053
  125   2HZ   LYS  19           HZ2      LYS  19  -6.013  12.042  -9.511
  126   3HZ   LYS  19           HZ3      LYS  19  -4.997  10.879  -8.803
  127    H    GLU  20           HN       GLU  20  -5.927   4.524  -5.846
  128    HA   GLU  20           HA       GLU  20  -6.398   4.050  -8.672
  129   1HB   GLU  20           HB2      GLU  20  -4.470   3.049  -7.535
  130   2HB   GLU  20           HB1      GLU  20  -5.549   2.152  -6.464
  131   1HG   GLU  20           HG2      GLU  20  -6.404   0.840  -8.272
  132   2HG   GLU  20           HG1      GLU  20  -5.657   1.890  -9.476
  133    H    THR  21           HN       THR  21  -7.582   2.219  -5.820
  134    HA   THR  21           HA       THR  21 -10.020   1.595  -7.433
  135    HB   THR  21           HB       THR  21  -8.616  -0.359  -6.763
  136    HG1  THR  21           HG1      THR  21 -11.105  -0.168  -6.742
  137   1HG2  THR  21          HG21      THR  21  -7.760  -0.473  -4.690
  138   2HG2  THR  21          HG22      THR  21  -9.385  -0.488  -4.008
  139   3HG2  THR  21          HG23      THR  21  -8.560   1.045  -4.287
  140    H    GLY  22           HN       GLY  22  -8.855   2.878  -4.375
  141   1HA   GLY  22           HA2      GLY  22 -10.341   4.572  -3.304
  142   2HA   GLY  22           HA1      GLY  22 -11.697   3.513  -3.688
  143    H    TYR  23           HN       TYR  23  -8.750   2.046  -2.603
  144    HA   TYR  23           HA       TYR  23  -9.972   1.663   0.099
  145   1HB   TYR  23           HB2      TYR  23  -8.942  -0.318  -1.866
  146   2HB   TYR  23           HB1      TYR  23  -8.543  -0.603  -0.173
  147    HD1  TYR  23           HD1      TYR  23 -10.214  -1.258   1.416
  148    HD2  TYR  23           HD2      TYR  23 -11.339  -0.110  -2.567
  149    HE1  TYR  23           HE1      TYR  23 -12.508  -2.109   1.818
  150    HE2  TYR  23           HE2      TYR  23 -13.634  -0.962  -2.165
  151    HH   TYR  23           HH       TYR  23 -15.117  -1.418  -0.263
  152    HA   PRO  24           HA       PRO  24  -5.882   3.363   0.952
  153   1HB   PRO  24           HB2      PRO  24  -6.529   4.179   3.497
  154   2HB   PRO  24           HB1      PRO  24  -6.891   5.124   2.043
  155   1HG   PRO  24           HG2      PRO  24  -8.741   3.521   3.749
  156   2HG   PRO  24           HG1      PRO  24  -9.088   4.935   2.739
  157   1HD   PRO  24           HD2      PRO  24  -9.652   2.251   2.063
  158   2HD   PRO  24           HD1      PRO  24  -9.656   3.628   0.941
  159    H    ASN  25           HN       ASN  25  -7.794   1.346   3.198
  160    HA   ASN  25           HA       ASN  25  -5.825   0.467   4.951
  161   1HB   ASN  25           HB2      ASN  25  -8.343  -0.246   4.692
  162   2HB   ASN  25           HB1      ASN  25  -7.674  -1.564   3.730
  163   1HD2  ASN  25          HD21      ASN  25  -5.618  -2.618   4.921
  164   2HD2  ASN  25          HD22      ASN  25  -5.843  -2.934   6.574
  165    H    ALA  26           HN       ALA  26  -3.760   0.057   4.222
  166    HA   ALA  26           HA       ALA  26  -3.429  -2.269   2.413
  167   1HB   ALA  26           HB1      ALA  26  -2.285  -1.164   0.754
  168   2HB   ALA  26           HB2      ALA  26  -1.649   0.053   1.861
  169   3HB   ALA  26           HB3      ALA  26  -3.309   0.172   1.280
  170    H    LYS  27           HN       LYS  27  -0.830  -2.564   2.225
  171    HA   LYS  27           HA       LYS  27   0.333  -2.056   4.928
  172   1HB   LYS  27           HB2      LYS  27  -0.556  -4.549   4.022
  173   2HB   LYS  27           HB1      LYS  27   1.191  -4.593   3.784
  174   1HG   LYS  27           HG2      LYS  27   0.861  -5.350   6.012
  175   2HG   LYS  27           HG1      LYS  27   1.374  -3.670   6.175
  176   1HD   LYS  27           HD2      LYS  27  -1.085  -3.038   6.226
  177   2HD   LYS  27           HD1      LYS  27  -1.443  -4.760   6.361
  178   1HE   LYS  27           HE2      LYS  27  -0.936  -4.762   8.555
  179   2HE   LYS  27           HE1      LYS  27   0.623  -3.998   8.245
  180   1HZ   LYS  27           HZ1      LYS  27  -1.206  -2.776   9.618
  181   2HZ   LYS  27           HZ2      LYS  27  -1.809  -2.367   8.083
  182   3HZ   LYS  27           HZ3      LYS  27  -0.232  -1.916   8.528
  183    H    CYS  28           HN       CYS  28   2.726  -2.249   4.928
  184    HA   CYS  28           HA       CYS  28   3.989  -2.032   2.244
  185   1HB   CYS  28           HB2      CYS  28   3.873   0.084   4.359
  186   2HB   CYS  28           HB1      CYS  28   5.368  -0.090   3.442
  187    H    MET  29           HN       MET  29   4.814  -4.169   2.864
  188    HA   MET  29           HA       MET  29   6.866  -4.054   5.037
  189   1HB   MET  29           HB2      MET  29   4.960  -5.739   5.213
  190   2HB   MET  29           HB1      MET  29   5.673  -6.553   3.819
  191   1HG   MET  29           HG2      MET  29   7.493  -7.294   5.008
  192   2HG   MET  29           HG1      MET  29   7.511  -5.880   6.062
  193   1HE   MET  29           HE1      MET  29   5.398  -6.368   8.855
  194   2HE   MET  29           HE2      MET  29   4.374  -5.904   7.498
  195   3HE   MET  29           HE3      MET  29   6.017  -5.276   7.608
  196    H    ASN  30           HN       ASN  30   8.971  -4.369   4.495
  197    HA   ASN  30           HA       ASN  30  10.815  -4.376   3.015
  198   1HB   ASN  30           HB2      ASN  30   9.358  -6.967   2.430
  199   2HB   ASN  30           HB1      ASN  30  10.990  -6.615   1.857
  200   1HD2  ASN  30          HD21      ASN  30  12.722  -6.541   3.445
  201   2HD2  ASN  30          HD22      ASN  30  12.500  -7.092   5.035
  202    H    ARG  31           HN       ARG  31   9.159  -2.614   1.885
  203    HA   ARG  31           HA       ARG  31   8.506  -1.664  -0.157
  204   1HB   ARG  31           HB2      ARG  31  10.380  -3.693  -1.394
  205   2HB   ARG  31           HB1      ARG  31   9.937  -2.109  -2.029
  206   1HG   ARG  31           HG2      ARG  31  11.669  -2.738   0.368
  207   2HG   ARG  31           HG1      ARG  31  12.088  -1.795  -1.064
  208   1HD   ARG  31           HD2      ARG  31   9.977  -0.355  -0.206
  209   2HD   ARG  31           HD1      ARG  31  10.530  -0.995   1.342
  210    HE   ARG  31           HE       ARG  31  12.585   0.225   1.075
  211   1HH1  ARG  31          HH21      ARG  31  10.045   1.433  -0.724
  212   2HH1  ARG  31          HH22      ARG  31  11.017   2.369  -1.809
  213   1HH2  ARG  31          HH11      ARG  31  14.019   1.039  -0.694
  214   2HH2  ARG  31          HH12      ARG  31  13.265   2.147  -1.792
  215    H    LYS  32           HN       LYS  32   6.650  -3.458   0.723
  216    HA   LYS  32           HA       LYS  32   5.737  -4.664  -1.840
  217   1HB   LYS  32           HB2      LYS  32   6.724  -6.210   0.263
  218   2HB   LYS  32           HB1      LYS  32   4.972  -6.283   0.466
  219   1HG   LYS  32           HG2      LYS  32   5.510  -6.525  -2.320
  220   2HG   LYS  32           HG1      LYS  32   6.593  -7.634  -1.478
  221   1HD   LYS  32           HD2      LYS  32   4.809  -9.038  -1.441
  222   2HD   LYS  32           HD1      LYS  32   4.231  -8.018  -0.123
  223   1HE   LYS  32           HE2      LYS  32   2.665  -6.969  -1.434
  224   2HE   LYS  32           HE1      LYS  32   3.659  -7.075  -2.888
  225   1HZ   LYS  32           HZ1      LYS  32   3.139  -9.387  -3.089
  226   2HZ   LYS  32           HZ2      LYS  32   1.683  -8.525  -2.940
  227   3HZ   LYS  32           HZ3      LYS  32   2.302  -9.387  -1.614
  228    H    CYS  33           HN       CYS  33   3.981  -3.359  -2.190
  229    HA   CYS  33           HA       CYS  33   2.335  -2.405   0.033
  230   1HB   CYS  33           HB2      CYS  33   2.547  -1.901  -2.867
  231   2HB   CYS  33           HB1      CYS  33   0.908  -1.808  -2.225
  232    H    LYS  34           HN       LYS  34   0.607  -3.459   0.849
  233    HA   LYS  34           HA       LYS  34  -0.663  -5.583  -0.833
  234   1HB   LYS  34           HB2      LYS  34   0.580  -5.814   1.724
  235   2HB   LYS  34           HB1      LYS  34  -1.156  -6.029   1.955
  236   1HG   LYS  34           HG2      LYS  34  -1.202  -7.733   0.187
  237   2HG   LYS  34           HG1      LYS  34   0.526  -7.505  -0.092
  238   1HD   LYS  34           HD2      LYS  34   1.107  -8.421   2.008
  239   2HD   LYS  34           HD1      LYS  34  -0.533  -8.240   2.635
  240   1HE   LYS  34           HE2      LYS  34  -0.422 -10.534   2.141
  241   2HE   LYS  34           HE1      LYS  34  -1.197  -9.864   0.707
  242   1HZ   LYS  34           HZ1      LYS  34   0.525 -10.432  -0.555
  243   2HZ   LYS  34           HZ2      LYS  34   1.068 -11.377   0.747
  244   3HZ   LYS  34           HZ3      LYS  34   1.657  -9.797   0.537
  245    H    CYS  35           HN       CYS  35  -2.333  -4.212  -1.579
  246    HA   CYS  35           HA       CYS  35  -3.938  -2.725   0.402
  247   1HB   CYS  35           HB2      CYS  35  -4.080  -2.972  -2.614
  248   2HB   CYS  35           HB1      CYS  35  -5.242  -2.044  -1.664
  249    H    PHE  36           HN       PHE  36  -6.030  -3.287   0.998
  250    HA   PHE  36           HA       PHE  36  -6.780  -6.076   0.671
  251   1HB   PHE  36           HB2      PHE  36  -7.801  -3.713   2.158
  252   2HB   PHE  36           HB1      PHE  36  -8.988  -4.954   1.759
  253    HD1  PHE  36           HD1      PHE  36  -5.403  -5.679   2.271
  254    HD2  PHE  36           HD2      PHE  36  -9.320  -5.739   4.033
  255    HE1  PHE  36           HE1      PHE  36  -4.548  -7.093   4.122
  256    HE2  PHE  36           HE2      PHE  36  -8.466  -7.152   5.883
  257    HZ   PHE  36           HZ       PHE  36  -6.081  -7.829   5.928
  258    H    GLY  37           HN       GLY  37  -8.526  -3.054  -0.160
  259   1HA   GLY  37           HA2      GLY  37 -10.031  -2.616  -1.906
  260   2HA   GLY  37           HA1      GLY  37  -9.101  -3.785  -2.844
  261    H    ARG  38           HN       ARG  38 -11.259  -4.001   0.011
  262    HA   ARG  38           HA       ARG  38 -12.224  -6.582  -0.412
  263   1HB   ARG  38           HB2      ARG  38 -12.795  -5.102   1.537
  264   2HB   ARG  38           HB1      ARG  38 -13.924  -4.239   0.491
  265   1HG   ARG  38           HG2      ARG  38 -15.045  -6.011   1.841
  266   2HG   ARG  38           HG1      ARG  38 -15.190  -6.293   0.105
  267   1HD   ARG  38           HD2      ARG  38 -13.648  -8.050   0.126
  268   2HD   ARG  38           HD1      ARG  38 -12.891  -7.498   1.619
  269    HE   ARG  38           HE       ARG  38 -15.110  -9.314   1.459
  270   1HH1  ARG  38          HH21      ARG  38 -13.391  -9.279   3.826
  271   2HH1  ARG  38          HH22      ARG  38 -14.379  -8.523   5.031
  272   1HH2  ARG  38          HH11      ARG  38 -16.610  -7.181   2.738
  273   2HH2  ARG  38          HH12      ARG  38 -16.203  -7.334   4.414
  Start of MODEL   18
    1   1H    THR   4           HT1      THR   4   6.466  -3.275  -6.962
    2   2H    THR   4           HT2      THR   4   6.235  -2.830  -8.586
    3   3H    THR   4           HT3      THR   4   5.330  -4.100  -7.912
    4    HA   THR   4           HA       THR   4   4.152  -1.894  -8.176
    5    HB   THR   4           HB       THR   4   4.166  -2.766  -5.308
    6    HG1  THR   4           HG1      THR   4   3.204  -4.330  -7.467
    7   1HG2  THR   4          HG21      THR   4   2.499  -1.218  -6.790
    8   2HG2  THR   4          HG22      THR   4   1.972  -2.150  -5.389
    9   3HG2  THR   4          HG23      THR   4   1.747  -2.797  -7.014
   10    H    ILE   5           HN       ILE   5   3.896  -0.773  -5.349
   11    HA   ILE   5           HA       ILE   5   5.757   1.429  -5.732
   12    HB   ILE   5           HB       ILE   5   4.088   1.040  -3.288
   13   1HG1  ILE   5          HG12      ILE   5   2.593   0.489  -5.157
   14   2HG1  ILE   5          HG11      ILE   5   2.186   2.077  -4.513
   15   1HG2  ILE   5          HG21      ILE   5   4.985   3.394  -4.951
   16   2HG2  ILE   5          HG22      ILE   5   5.508   2.979  -3.318
   17   3HG2  ILE   5          HG23      ILE   5   3.855   3.527  -3.604
   18   1HD1  ILE   5          HD11      ILE   5   3.156   1.357  -7.166
   19   2HD1  ILE   5          HD12      ILE   5   4.139   2.618  -6.422
   20   3HD1  ILE   5          HD13      ILE   5   2.402   2.854  -6.618
   21    H    SER   6           HN       SER   6   7.129   2.180  -3.893
   22    HA   SER   6           HA       SER   6   8.283  -0.139  -2.391
   23   1HB   SER   6           HB2      SER   6   9.663   2.324  -3.506
   24   2HB   SER   6           HB1      SER   6  10.438   1.149  -2.446
   25    HG   SER   6           HG       SER   6   9.532  -0.387  -4.168
   26    H    CYS   7           HN       CYS   7   7.542   0.088  -0.313
   27    HA   CYS   7           HA       CYS   7   7.923   2.742   0.982
   28   1HB   CYS   7           HB2      CYS   7   5.685   2.478   2.079
   29   2HB   CYS   7           HB1      CYS   7   5.581   2.714   0.334
   30    H    THR   8           HN       THR   8   7.010   2.268   3.438
   31    HA   THR   8           HA       THR   8   8.073  -0.332   4.391
   32    HB   THR   8           HB       THR   8   9.602   0.652   5.934
   33    HG1  THR   8           HG1      THR   8   9.360   2.620   6.636
   34   1HG2  THR   8          HG21      THR   8   9.882   2.357   3.451
   35   2HG2  THR   8          HG22      THR   8  10.286   0.640   3.486
   36   3HG2  THR   8          HG23      THR   8  11.167   1.775   4.509
   37    H    ASN   9           HN       ASN   9   6.479   2.751   5.145
   38    HA   ASN   9           HA       ASN   9   5.176   1.566   7.516
   39   1HB   ASN   9           HB2      ASN   9   4.965   4.327   6.274
   40   2HB   ASN   9           HB1      ASN   9   4.200   3.838   7.785
   41   1HD2  ASN   9          HD21      ASN   9   5.412   4.892   9.389
   42   2HD2  ASN   9          HD22      ASN   9   7.103   4.813   9.519
   43    H    GLU  10           HN       GLU  10   2.797   1.575   7.678
   44    HA   GLU  10           HA       GLU  10   1.547   0.483   5.330
   45   1HB   GLU  10           HB2      GLU  10   0.331   1.491   7.919
   46   2HB   GLU  10           HB1      GLU  10  -0.535   0.561   6.696
   47   1HG   GLU  10           HG2      GLU  10   1.511  -1.100   6.986
   48   2HG   GLU  10           HG1      GLU  10   1.632  -0.320   8.563
   49    H    LYS  11           HN       LYS  11   1.262   3.668   6.922
   50    HA   LYS  11           HA       LYS  11  -0.765   4.665   5.152
   51   1HB   LYS  11           HB2      LYS  11  -0.052   5.646   7.398
   52   2HB   LYS  11           HB1      LYS  11   1.325   6.347   6.548
   53   1HG   LYS  11           HG2      LYS  11  -0.966   6.921   4.980
   54   2HG   LYS  11           HG1      LYS  11  -1.391   7.297   6.651
   55   1HD   LYS  11           HD2      LYS  11   1.302   8.196   6.028
   56   2HD   LYS  11           HD1      LYS  11   0.123   8.898   4.920
   57   1HE   LYS  11           HE2      LYS  11  -1.277   9.458   6.985
   58   2HE   LYS  11           HE1      LYS  11   0.150   9.053   7.939
   59   1HZ   LYS  11           HZ1      LYS  11   0.424  10.911   5.684
   60   2HZ   LYS  11           HZ2      LYS  11   1.318  10.825   7.127
   61   3HZ   LYS  11           HZ3      LYS  11  -0.250  11.480   7.132
   62    H    GLN  12           HN       GLN  12   2.451   3.884   4.502
   63    HA   GLN  12           HA       GLN  12   3.151   6.033   2.719
   64   1HB   GLN  12           HB2      GLN  12   4.128   3.215   3.114
   65   2HB   GLN  12           HB1      GLN  12   4.705   4.172   1.750
   66   1HG   GLN  12           HG2      GLN  12   4.748   5.263   4.563
   67   2HG   GLN  12           HG1      GLN  12   6.077   4.288   3.935
   68   1HE2  GLN  12          HE21      GLN  12   7.724   5.618   3.173
   69   2HE2  GLN  12          HE22      GLN  12   7.494   7.087   2.355
   70    H    CYS  13           HN       CYS  13   0.722   3.743   2.444
   71    HA   CYS  13           HA       CYS  13   0.601   4.197  -0.498
   72   1HB   CYS  13           HB2      CYS  13   1.077   1.664   0.819
   73   2HB   CYS  13           HB1      CYS  13  -0.456   1.619  -0.051
   74    H    TYR  14           HN       TYR  14  -0.819   5.322   1.871
   75    HA   TYR  14           HA       TYR  14  -3.471   4.165   1.953
   76   1HB   TYR  14           HB2      TYR  14  -2.091   6.482   3.128
   77   2HB   TYR  14           HB1      TYR  14  -3.806   6.748   2.812
   78    HD1  TYR  14           HD1      TYR  14  -2.292   3.443   3.530
   79    HD2  TYR  14           HD2      TYR  14  -4.580   6.726   5.093
   80    HE1  TYR  14           HE1      TYR  14  -2.882   2.086   5.521
   81    HE2  TYR  14           HE2      TYR  14  -5.170   5.369   7.083
   82    HH   TYR  14           HH       TYR  14  -4.634   3.484   8.245
   83    HA   PRO  15           HA       PRO  15  -4.598   7.817  -0.925
   84   1HB   PRO  15           HB2      PRO  15  -2.518   9.189  -2.089
   85   2HB   PRO  15           HB1      PRO  15  -3.262   9.652  -0.547
   86   1HG   PRO  15           HG2      PRO  15  -0.635   8.326  -1.044
   87   2HG   PRO  15           HG1      PRO  15  -1.131   9.362   0.304
   88   1HD   PRO  15           HD2      PRO  15  -0.937   6.552   0.367
   89   2HD   PRO  15           HD1      PRO  15  -1.768   7.558   1.573
   90    H    HIS  16           HN       HIS  16  -1.589   6.157  -1.872
   91    HA   HIS  16           HA       HIS  16  -2.213   6.069  -4.681
   92   1HB   HIS  16           HB2      HIS  16  -0.002   5.549  -4.523
   93   2HB   HIS  16           HB1      HIS  16  -0.170   4.969  -2.870
   94    HD1  HIS  16           HD1      HIS  16  -0.015   3.815  -6.398
   95    HD2  HIS  16           HD2      HIS  16  -0.916   2.181  -2.672
   96    HE1  HIS  16           HE1      HIS  16   0.000   1.299  -6.699
   97    H    CYS  17           HN       CYS  17  -2.839   3.861  -1.969
   98    HA   CYS  17           HA       CYS  17  -3.957   1.747  -3.578
   99   1HB   CYS  17           HB2      CYS  17  -3.913   2.453  -0.677
  100   2HB   CYS  17           HB1      CYS  17  -5.145   1.314  -1.218
  101    H    LYS  18           HN       LYS  18  -5.380   4.553  -1.911
  102    HA   LYS  18           HA       LYS  18  -8.114   3.834  -2.404
  103   1HB   LYS  18           HB2      LYS  18  -7.545   5.538  -0.752
  104   2HB   LYS  18           HB1      LYS  18  -6.835   6.556  -2.006
  105   1HG   LYS  18           HG2      LYS  18  -9.076   6.607  -3.143
  106   2HG   LYS  18           HG1      LYS  18  -9.746   5.755  -1.751
  107   1HD   LYS  18           HD2      LYS  18  -8.157   8.259  -1.299
  108   2HD   LYS  18           HD1      LYS  18  -9.830   8.389  -1.842
  109   1HE   LYS  18           HE2      LYS  18  -8.982   6.739   0.552
  110   2HE   LYS  18           HE1      LYS  18  -9.546   8.406   0.671
  111   1HZ   LYS  18           HZ1      LYS  18 -11.542   7.431   0.851
  112   2HZ   LYS  18           HZ2      LYS  18 -11.033   5.983   0.123
  113   3HZ   LYS  18           HZ3      LYS  18 -11.456   7.318  -0.839
  114    H    LYS  19           HN       LYS  19  -6.024   6.189  -4.114
  115    HA   LYS  19           HA       LYS  19  -7.817   6.803  -6.200
  116   1HB   LYS  19           HB2      LYS  19  -5.458   7.783  -5.645
  117   2HB   LYS  19           HB1      LYS  19  -4.866   6.520  -6.727
  118   1HG   LYS  19           HG2      LYS  19  -5.670   7.563  -8.578
  119   2HG   LYS  19           HG1      LYS  19  -7.175   8.016  -7.779
  120   1HD   LYS  19           HD2      LYS  19  -6.374  10.121  -7.682
  121   2HD   LYS  19           HD1      LYS  19  -5.213   9.538  -6.487
  122   1HE   LYS  19           HE2      LYS  19  -3.905   8.750  -8.671
  123   2HE   LYS  19           HE1      LYS  19  -4.832  10.057  -9.407
  124   1HZ   LYS  19           HZ1      LYS  19  -3.045  11.218  -8.663
  125   2HZ   LYS  19           HZ2      LYS  19  -2.753  10.177  -7.352
  126   3HZ   LYS  19           HZ3      LYS  19  -4.010  11.318  -7.272
  127    H    GLU  20           HN       GLU  20  -5.728   4.000  -5.768
  128    HA   GLU  20           HA       GLU  20  -5.885   2.987  -8.437
  129   1HB   GLU  20           HB2      GLU  20  -4.512   2.215  -6.268
  130   2HB   GLU  20           HB1      GLU  20  -5.845   1.066  -6.154
  131   1HG   GLU  20           HG2      GLU  20  -5.153   1.064  -8.865
  132   2HG   GLU  20           HG1      GLU  20  -3.608   1.104  -8.014
  133    H    THR  21           HN       THR  21  -7.879   2.228  -5.554
  134    HA   THR  21           HA       THR  21 -10.060   1.467  -7.445
  135    HB   THR  21           HB       THR  21  -9.042  -0.607  -6.588
  136    HG1  THR  21           HG1      THR  21 -10.972  -1.382  -6.380
  137   1HG2  THR  21          HG21      THR  21  -8.435   0.771  -4.363
  138   2HG2  THR  21          HG22      THR  21  -8.561  -0.987  -4.378
  139   3HG2  THR  21          HG23      THR  21  -9.915  -0.011  -3.807
  140    H    GLY  22           HN       GLY  22  -9.171   2.478  -4.151
  141   1HA   GLY  22           HA2      GLY  22 -10.660   4.562  -3.580
  142   2HA   GLY  22           HA1      GLY  22 -11.974   3.396  -3.736
  143    H    TYR  23           HN       TYR  23  -9.759   1.425  -2.613
  144    HA   TYR  23           HA       TYR  23 -10.599   1.831   0.195
  145   1HB   TYR  23           HB2      TYR  23  -9.692  -0.443  -1.454
  146   2HB   TYR  23           HB1      TYR  23  -9.084  -0.447   0.202
  147    HD1  TYR  23           HD1      TYR  23 -11.736  -1.485  -1.826
  148    HD2  TYR  23           HD2      TYR  23 -10.956   0.277   2.013
  149    HE1  TYR  23           HE1      TYR  23 -13.944  -2.271  -1.017
  150    HE2  TYR  23           HE2      TYR  23 -13.165  -0.510   2.822
  151    HH   TYR  23           HH       TYR  23 -15.568  -1.183   1.242
  152    HA   PRO  24           HA       PRO  24  -6.563   3.625   0.909
  153   1HB   PRO  24           HB2      PRO  24  -7.071   4.325   3.517
  154   2HB   PRO  24           HB1      PRO  24  -7.625   5.270   2.124
  155   1HG   PRO  24           HG2      PRO  24  -9.196   3.494   3.930
  156   2HG   PRO  24           HG1      PRO  24  -9.738   4.881   2.968
  157   1HD   PRO  24           HD2      PRO  24 -10.101   2.149   2.303
  158   2HD   PRO  24           HD1      PRO  24 -10.354   3.535   1.220
  159    H    ASN  25           HN       ASN  25  -8.132   1.364   3.179
  160    HA   ASN  25           HA       ASN  25  -6.016   0.639   4.821
  161   1HB   ASN  25           HB2      ASN  25  -8.509  -0.399   4.316
  162   2HB   ASN  25           HB1      ASN  25  -7.460  -1.693   3.736
  163   1HD2  ASN  25          HD21      ASN  25  -5.612  -2.288   5.359
  164   2HD2  ASN  25          HD22      ASN  25  -6.020  -2.281   7.007
  165    H    ALA  26           HN       ALA  26  -3.961   0.599   3.910
  166    HA   ALA  26           HA       ALA  26  -3.510  -1.485   1.810
  167   1HB   ALA  26           HB1      ALA  26  -3.211   0.869   0.979
  168   2HB   ALA  26           HB2      ALA  26  -1.743  -0.104   0.877
  169   3HB   ALA  26           HB3      ALA  26  -1.930   1.078   2.172
  170    H    LYS  27           HN       LYS  27  -1.323  -2.477   1.928
  171    HA   LYS  27           HA       LYS  27  -0.206  -2.361   4.702
  172   1HB   LYS  27           HB2      LYS  27  -1.378  -4.574   3.359
  173   2HB   LYS  27           HB1      LYS  27   0.357  -4.881   3.435
  174   1HG   LYS  27           HG2      LYS  27  -0.275  -5.706   5.503
  175   2HG   LYS  27           HG1      LYS  27   0.043  -4.026   5.936
  176   1HD   LYS  27           HD2      LYS  27  -2.155  -3.573   6.309
  177   2HD   LYS  27           HD1      LYS  27  -2.685  -4.539   4.931
  178   1HE   LYS  27           HE2      LYS  27  -2.160  -6.604   6.286
  179   2HE   LYS  27           HE1      LYS  27  -1.886  -5.550   7.673
  180   1HZ   LYS  27           HZ1      LYS  27  -4.236  -4.650   6.879
  181   2HZ   LYS  27           HZ2      LYS  27  -4.076  -5.941   7.972
  182   3HZ   LYS  27           HZ3      LYS  27  -4.375  -6.247   6.328
  183    H    CYS  28           HN       CYS  28   1.953  -1.953   4.798
  184    HA   CYS  28           HA       CYS  28   3.487  -2.068   2.232
  185   1HB   CYS  28           HB2      CYS  28   3.463  -0.159   4.526
  186   2HB   CYS  28           HB1      CYS  28   5.017  -0.469   3.751
  187    H    MET  29           HN       MET  29   4.593  -4.001   2.287
  188    HA   MET  29           HA       MET  29   6.438  -4.416   4.569
  189   1HB   MET  29           HB2      MET  29   5.769  -6.732   4.899
  190   2HB   MET  29           HB1      MET  29   4.352  -5.701   5.095
  191   1HG   MET  29           HG2      MET  29   3.325  -6.550   3.251
  192   2HG   MET  29           HG1      MET  29   4.825  -6.602   2.326
  193   1HE   MET  29           HE1      MET  29   3.638  -9.618   5.585
  194   2HE   MET  29           HE2      MET  29   2.487  -8.484   4.884
  195   3HE   MET  29           HE3      MET  29   3.877  -7.876   5.780
  196    H    ASN  30           HN       ASN  30   8.224  -5.818   4.015
  197    HA   ASN  30           HA       ASN  30   9.918  -6.401   2.480
  198   1HB   ASN  30           HB2      ASN  30   7.480  -7.921   1.924
  199   2HB   ASN  30           HB1      ASN  30   8.524  -7.783   0.509
  200   1HD2  ASN  30          HD21      ASN  30   9.982  -9.486   0.397
  201   2HD2  ASN  30          HD22      ASN  30  10.694 -10.255   1.733
  202    H    ARG  31           HN       ARG  31   9.007  -3.789   2.022
  203    HA   ARG  31           HA       ARG  31   8.818  -2.145   0.345
  204   1HB   ARG  31           HB2      ARG  31  10.486  -4.082  -1.276
  205   2HB   ARG  31           HB1      ARG  31  10.480  -2.320  -1.367
  206   1HG   ARG  31           HG2      ARG  31  11.036  -3.253   1.335
  207   2HG   ARG  31           HG1      ARG  31  12.208  -3.879   0.174
  208   1HD   ARG  31           HD2      ARG  31  13.082  -1.819  -0.248
  209   2HD   ARG  31           HD1      ARG  31  11.507  -1.029  -0.176
  210    HE   ARG  31           HE       ARG  31  11.885  -1.564   2.438
  211   1HH1  ARG  31          HH11      ARG  31  14.838  -1.887   1.466
  212   2HH1  ARG  31          HH12      ARG  31  15.470  -0.341   1.924
  213   1HH2  ARG  31          HH21      ARG  31  12.344   1.081   2.417
  214   2HH2  ARG  31          HH22      ARG  31  14.056   1.340   2.469
  215    H    LYS  32           HN       LYS  32   6.551  -3.667   0.364
  216    HA   LYS  32           HA       LYS  32   5.888  -3.764  -2.528
  217   1HB   LYS  32           HB2      LYS  32   6.216  -6.086  -0.889
  218   2HB   LYS  32           HB1      LYS  32   4.499  -5.914  -1.260
  219   1HG   LYS  32           HG2      LYS  32   4.808  -6.360  -3.467
  220   2HG   LYS  32           HG1      LYS  32   6.288  -5.404  -3.548
  221   1HD   LYS  32           HD2      LYS  32   7.220  -7.414  -2.053
  222   2HD   LYS  32           HD1      LYS  32   5.931  -8.290  -2.879
  223   1HE   LYS  32           HE2      LYS  32   7.083  -6.851  -4.935
  224   2HE   LYS  32           HE1      LYS  32   8.475  -7.276  -3.940
  225   1HZ   LYS  32           HZ1      LYS  32   8.365  -9.330  -4.716
  226   2HZ   LYS  32           HZ2      LYS  32   7.033  -8.915  -5.685
  227   3HZ   LYS  32           HZ3      LYS  32   6.790  -9.505  -4.111
  228    H    CYS  33           HN       CYS  33   3.964  -2.770  -2.889
  229    HA   CYS  33           HA       CYS  33   2.320  -2.037  -0.521
  230   1HB   CYS  33           HB2      CYS  33   2.848  -0.846  -3.183
  231   2HB   CYS  33           HB1      CYS  33   1.189  -0.696  -2.602
  232    H    LYS  34           HN       LYS  34   0.406  -3.067  -0.175
  233    HA   LYS  34           HA       LYS  34  -0.974  -4.308  -2.506
  234   1HB   LYS  34           HB2      LYS  34  -1.366  -6.365  -1.263
  235   2HB   LYS  34           HB1      LYS  34   0.370  -6.054  -1.313
  236   1HG   LYS  34           HG2      LYS  34   0.102  -4.893   0.941
  237   2HG   LYS  34           HG1      LYS  34  -1.527  -5.570   0.994
  238   1HD   LYS  34           HD2      LYS  34   0.108  -7.726   0.272
  239   2HD   LYS  34           HD1      LYS  34   1.018  -6.875   1.521
  240   1HE   LYS  34           HE2      LYS  34  -1.080  -6.864   2.924
  241   2HE   LYS  34           HE1      LYS  34  -1.819  -7.918   1.718
  242   1HZ   LYS  34           HZ1      LYS  34   0.314  -8.485   3.633
  243   2HZ   LYS  34           HZ2      LYS  34   0.403  -9.247   2.117
  244   3HZ   LYS  34           HZ3      LYS  34  -0.960  -9.475   3.106
  245    H    CYS  35           HN       CYS  35  -2.977  -3.417  -2.539
  246    HA   CYS  35           HA       CYS  35  -4.124  -2.329  -0.042
  247   1HB   CYS  35           HB2      CYS  35  -5.591  -2.304  -2.658
  248   2HB   CYS  35           HB1      CYS  35  -5.558  -1.085  -1.386
  249    H    PHE  36           HN       PHE  36  -5.876  -3.238   1.012
  250    HA   PHE  36           HA       PHE  36  -7.535  -5.276  -0.263
  251   1HB   PHE  36           HB2      PHE  36  -5.356  -6.001   1.662
  252   2HB   PHE  36           HB1      PHE  36  -6.879  -6.887   1.738
  253    HD1  PHE  36           HD1      PHE  36  -7.832  -7.415  -0.791
  254    HD2  PHE  36           HD2      PHE  36  -3.713  -6.996   0.353
  255    HE1  PHE  36           HE1      PHE  36  -7.148  -8.768  -2.756
  256    HE2  PHE  36           HE2      PHE  36  -3.029  -8.346  -1.610
  257    HZ   PHE  36           HZ       PHE  36  -4.746  -9.233  -3.164
  258    H    GLY  37           HN       GLY  37  -8.655  -3.116   0.613
  259   1HA   GLY  37           HA2      GLY  37  -9.150  -2.533   3.267
  260   2HA   GLY  37           HA1      GLY  37 -10.418  -2.453   2.043
  261    H    ARG  38           HN       ARG  38 -10.454  -5.260   1.420
  262    HA   ARG  38           HA       ARG  38 -10.722  -6.960   3.673
  263   1HB   ARG  38           HB2      ARG  38 -12.728  -5.014   3.660
  264   2HB   ARG  38           HB1      ARG  38 -13.505  -6.439   2.971
  265   1HG   ARG  38           HG2      ARG  38 -12.123  -7.562   5.039
  266   2HG   ARG  38           HG1      ARG  38 -12.505  -5.979   5.717
  267   1HD   ARG  38           HD2      ARG  38 -14.747  -7.250   4.289
  268   2HD   ARG  38           HD1      ARG  38 -14.218  -8.124   5.727
  269    HE   ARG  38           HE       ARG  38 -15.003  -5.236   5.790
  270   1HH1  ARG  38          HH21      ARG  38 -13.688  -6.202   8.240
  271   2HH1  ARG  38          HH22      ARG  38 -15.013  -6.770   9.199
  272   1HH2  ARG  38          HH11      ARG  38 -17.224  -6.927   6.533
  273   2HH2  ARG  38          HH12      ARG  38 -17.016  -7.178   8.235