*HEADER    SIGNALING PROTEIN                       14-MAY-03   1PB5              
*TITLE     NMR STRUCTURE OF A PROTOTYPE LNR MODULE FROM HUMAN NOTCH1             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1;                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FIRST LNR MODULE;                                          
*COMPND   5 SYNONYM: NOTCH 1, HN1, TRANSLOCATION-ASSOCIATED NOTCH                
*COMPND   6 PROTEIN TAN-1;                                                       
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21DE3PLYSS;                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PMM                                       
*KEYWDS    NOTCH SIGNALING, LIN12/NOTCH REPEAT, CALCIUM-BINDING DOMAIN,          
*KEYWDS   2 PROTEIN MODULE, DISULFIDE BOND                                       
*EXPDTA    NMR, 16 STRUCTURES                                                    
*AUTHOR    D.VARDAR, C.L.NORTH, C.SANCHEZ-IRIZARRY, J.C.ASTER,                   
*AUTHOR   2 S.C.BLACKLOW                                                         
*REVDAT   1   17-JUN-03 1PB5    0                                                


!! calcium constraints

assign (resid  15 and name  OD1)   (resid  501 and resname  CA2)   2.500    0.800    0.300
assign (resid  30 and name  OD1 or resid 30 and name OD2)   (resid  501 and resname  CA2)   2.500    0.800    0.300
assign (resid  33 and name  OD1 or resid 33 and name OD2)   (resid  501 and resname  CA2)   2.500    0.800    0.300

!! The phi angle constraints from HMQC-J and TALOS

!! from TALOS
assign (resid  1 and name    C)    (resid  2 and name    N)
       (resid  2 and name   CA)    (resid  2 and name    C)     1.0    -100.0    30.0   2

!! from TALOS
assign (resid  2 and name    C)    (resid  3 and name    N)
       (resid  3 and name   CA)    (resid  3 and name    C)     1.0    -110.0    30.0   2

!! from TALOS
assign (resid  4 and name    C)    (resid  5 and name    N)
       (resid  5 and name   CA)    (resid  5 and name    C)     1.0    -90.0    30.0   2

!! modified with TALOS 
assign (resid   5 and name    C)    (resid   6 and name    N)
       (resid   6 and name   CA)    (resid   6 and name    C)     1.0   -110.0     30.0   2

!! modified with TALOS 
assign (resid   7 and name    C)    (resid   8 and name    N)
       (resid   8 and name   CA)    (resid   8 and name    C)     1.0    -80.0    30.0   2

assign (resid   8 and name    C)    (resid   9 and name    N)
      (resid   9 and name   CA)    (resid   9 and name    C)     1.0    -60.0    30.0   2

!! modified with TALOS
assign (resid   9 and name    C)    (resid  10 and name    N)
       (resid  10 and name   CA)    (resid  10 and name    C)     1.0    -70.0    30.0   2

!! from TALOS
assign (resid  10 and name    C)    (resid  11 and name    N)
       (resid  11 and name   CA)    (resid  11 and name    C)     1.0    -85.0    30.0   2

!! from TALOS
assign (resid  11 and name    C)    (resid  12 and name    N)
       (resid  12 and name   CA)    (resid  12 and name    C)     1.0    -95.0    30.0   2

assign (resid  12 and name    C)    (resid  13 and name    N)
       (resid  13 and name   CA)    (resid  13 and name    C)     1.0    -60.0    30.0   2

assign (resid  14 and name    C)    (resid  15 and name    N)
       (resid  15 and name   CA)    (resid  15 and name    C)     1.0   -120.0     30.0   2

!! modified with TALOS 
assign (resid  16 and name    C)    (resid  17 and name    N)
       (resid  17 and name   CA)    (resid  17 and name    C)     1.0   -105.0     30.0   2

!! alternative HMQC-J
assign (resid  17 and name    C)    (resid  18 and name    N)
       (resid  18 and name   CA)    (resid  18 and name    C)     1.0   -160.0    30.0   2

!! modified with TALOS 
assign (resid  18 and name    C)    (resid  19 and name    N)
       (resid  19 and name   CA)    (resid  19 and name    C)     1.0   -110.0     30.0   2

assign (resid  19 and name    C)    (resid  20 and name    N)
       (resid  20 and name   CA)    (resid  20 and name    C)     1.0    -60.0    30.0   2

!! from TALOS
assign (resid  20 and name    C)    (resid  21 and name    N)
       (resid  21 and name   CA)    (resid  21 and name    C)     1.0    -85.0    30.0   2

assign (resid  21 and name    C)    (resid  22 and name    N)
       (resid  22 and name   CA)    (resid  22 and name    C)     1.0   -120.0     30.0   2

!! from TALOS ME
assign (resid  22 and name    C)    (resid  23 and name    N)
       (resid  23 and name   CA)    (resid  23 and name    C)     1.0   -100.0     30.0   2

!! from TALOS
assign (resid  23 and name    C)    (resid  24 and name    N)
       (resid  24 and name   CA)    (resid  24 and name    C)     1.0   -85.0     30.0   2

assign (resid  24 and name    C)    (resid  25 and name    N)
       (resid  25 and name   CA)    (resid  25 and name    C)     1.0    -60.0    30.0   2

assign (resid  25 and name    C)    (resid  26 and name    N)
       (resid  26 and name   CA)    (resid  26 and name    C)     1.0    -60.0    30.0   2

assign (resid  26 and name    C)    (resid  27 and name    N)
       (resid  27 and name   CA)    (resid  27 and name    C)     1.0   -120.0     30.0   2

!! modified with TALOS 
assign (resid  32 and name    C)    (resid  33 and name    N)
       (resid  33 and name   CA)    (resid  33 and name    C)     1.0    -60.0    30.0   2

assign (resid  33 and name    C)    (resid  34 and name    N)
       (resid  34 and name   CA)    (resid  34 and name    C)     1.0   -110.0     30.0   2


!! The Psi angle constraints from TALOS

assign (resid  6 and name N)    (resid  6 and name CA)
       (resid  6 and name C)    (resid  7 and name N)         1.0    140.0    30.0   2

assign (resid  7 and name N)    (resid  7 and name CA)
       (resid  7 and name C)    (resid  8 and name N)         1.0    -20.0    30.0   2
      
assign (resid  8 and name N)    (resid  8 and name CA)
       (resid  8 and name C)    (resid  9 and name N)         1.0    -10.0    30.0   2
 
assign (resid  10 and name N)    (resid  10 and name CA)
       (resid  10 and name C)    (resid  11 and name N)       1.0    -25.0    30.0   2

assign (resid  11 and name N)    (resid  11 and name CA)
       (resid  11 and name C)    (resid  12 and name N)       1.0    -20.0    30.0   2

assign (resid  13 and name N)    (resid  13 and name CA)
       (resid  13 and name C)    (resid  14 and name N)     1.0    130.0    30.0   2

assign (resid  15 and name N)    (resid  15 and name CA)
       (resid  15 and name C)    (resid  16 and name N)     1.0    -5.0    30.0   2

assign (resid  16 and name N)    (resid  16 and name CA)
       (resid  16 and name C)    (resid  17 and name N)     1.0    -15.0    30.0   2

assign (resid  18 and name N)    (resid  18 and name CA)
       (resid  18 and name C)    (resid  19 and name N)       1.0    120.0    30.0   2

assign (resid  19 and name N)    (resid  19 and name CA)
       (resid  19 and name C)    (resid  20 and name N)       1.0    140.0    30.0   2

assign (resid  20 and name N)    (resid  20 and name CA)
       (resid  20 and name C)    (resid  21 and name N)       1.0    -30.0    30.0   2

assign (resid  21 and name N)    (resid  21 and name CA)
       (resid  21 and name C)    (resid  22 and name N)       1.0    -10.0    30.0   2

assign (resid  24 and name N)    (resid  24 and name CA)
       (resid  24 and name C)    (resid  25 and name N)     1.0    155.0    30.0   2

assign (resid  25 and name N)    (resid  25 and name CA)
       (resid  25 and name C)    (resid  26 and name N)     1.0    -30.0    30.0   2

assign (resid  26 and name N)    (resid  26 and name CA)
       (resid  26 and name C)    (resid  27 and name N)       1.0    -35.0    30.0   2

assign (resid  27 and name N)    (resid  27 and name CA)
       (resid  27 and name C)    (resid  28 and name N)       1.0    0.0    30.0   2

assign (resid  33 and name N)    (resid  33 and name CA)
       (resid  33 and name C)    (resid  34 and name N)       1.0    -20.0    30.0   2
 
!! The Chi angle constraints

!!assign (resid  4 and name   N)    (resid  4 and name  CA)
!!       (resid  4 and name   CB)   (resid  4 and name  SG)     1.0     60.0    40.0   2

assign (resid  6 and name   N)    (resid  6 and name  CA)
       (resid  6 and name   CB)   (resid  6 and name  CG)     1.0    -60.0    40.0   2

assign (resid  9 and name   N)    (resid  9 and name  CA)
       (resid  9 and name   CB)   (resid  9 and name  SG)     1.0    -60.0    40.0   2

assign (resid  12 and name   N)   (resid  12 and name CA)
       (resid  12 and name   CB)  (resid  12 and name CG)     1.0    -60.0    40.0   2

assign (resid  15 and name   N)   (resid  15 and name CA)
       (resid  15 and name   CB)  (resid  15 and name CG)     1.0    60.0    40.0   2

assign (resid  16 and name   N)   (resid  16 and name CA)
       (resid  16 and name   CB)  (resid  16 and name CG)     1.0    -60.0    40.0   2

!!assign (resid  18 and name   N)   (resid  18 and name CA)
!!       (resid  18 and name   CB)  (resid  18 and name SG)     1.0   180.0    40.0   2

assign (resid  22 and name   N)   (resid  22 and name CA)
       (resid  22 and name   CB)  (resid  22 and name SG)     1.0    -60.0    40.0   2

!!assign (resid  23 and name   N)   (resid  23 and name CA)
!!       (resid  23 and name   CB)  (resid  23 and name CG)     1.0    -120.0    40.0   2

assign (resid  24 and name   N)   (resid  24 and name CA)
       (resid  24 and name   CB)  (resid  24 and name CG)     1.0     60.0    40.0   2

assign (resid  27 and name   N)   (resid  27 and name CA)
       (resid  27 and name   CB)  (resid  27 and name SG)     1.0    -60.0    40.0   2

assign (resid  30 and name   N)   (resid  30 and name CA)
       (resid  30 and name   CB)  (resid  30 and name CG)     1.0     180.0    40.0   2

assign (resid  33 and name   N)   (resid  33 and name CA)
       (resid  33 and name   CB)  (resid  33 and name CG)     1.0      -60.0    40.0   2

assign (resid  34 and name   N)   (resid  34 and name CA)
       (resid  34 and name   CB)  (resid  34 and name SG)     1.0    -60.0    40.0   2

assign (resid 5 and name HA) (resid 3 and name HB#) 3.8 2.0 1.5 ! 88.23790
assign (resid 12 and name HN) (resid 11 and name HB#) 2.8 1.0 1.2 ! 358.05270
assign (resid 5 and name HN) (resid 7 and name HD#) 3.8 2.0 1.5 ! 47.60640
assign (resid 28 and name HN) (resid 26 and name HB#) 3.8 2.0 1.5 ! 5.42940
assign (resid 2 and name HA) (resid 2 and name HB#) 3.3 1.5 1.4 ! 5.66360
assign (resid 10 and name HN) (resid 8 and name HB#) 3.3 1.5 1.4 ! 7.86250
assign (resid 4 and name HB1) (resid 26 and name HB#) 3.3 1.5 1.4 ! 138.98410
assign (resid 35 and name HN) (resid 32 and name HA#) 3.8 2.0 1.5 ! 9.01120
assign (resid 21 and name HN) (resid 19 and name HB#) 3.3 1.5 1.4 ! 52.27990
assign (resid 19 and name HB#) (resid 17 and name HG##) 4.5 2.7 1.5 ! 18.96450
assign (resid 24 and name HB1) (resid 26 and name HB#) 4.5 2.7 1.5 ! 18.09570
assign (resid 15 and name HB2) (resid 17 and name HG##) 3.8 2.0 1.5 ! 55.45470
assign (resid 7 and name HA) (resid 7 and name HB#) 2.8 1.0 1.2 ! 15.11300
assign (resid 21 and name HN) (resid 20 and name HB#) 3.3 1.5 1.4 ! 192.61189
assign (resid 22 and name HN) (resid 20 and name HD##) 4.5 2.7 1.5 ! 19.04780
assign (resid 25 and name HN) (resid 26 and name HB#) 3.8 2.0 1.5 ! 5.02550
assign (resid 9 and name HN) (resid 7 and name HB#) 3.8 2.0 1.5 ! 56.26810
assign (resid 18 and name HB2) (resid 20 and name HD##) 4.5 2.7 1.5 ! 19.43020
assign (resid 8 and name HN) (resid 8 and name HG#) 2.5 0.7 1 ! 23.50620
assign (resid 27 and name HB1) (resid 26 and name HB#) 4.5 2.7 1.5 ! 28.21910
assign (resid 21 and name HE22) (resid 6 and name HD##) 4.5 2.7 1.5 ! 4.81830
assign (resid 24 and name HD22) (resid 26 and name HB#) 4.5 2.7 1.5 ! 7.80170
assign (resid 32 and name HN) (resid 32 and name HA#) 2.5 0.7 1 ! 262.03961
assign (resid 19 and name HN) (resid 20 and name HD##) 4.5 2.7 1.5 ! 16.28810
assign (resid 20 and name HA) (resid 20 and name HD##) 2.5 0.7 1 ! 61.61300
assign (resid 29 and name HE3) (resid 29 and name HB#) 2.5 0.7 1 ! 23.74340
assign (resid 7 and name HA) (resid 7 and name HD#) 2.8 1.0 1.2 ! 12.46150
assign (resid 34 and name HN) (resid 35 and name HB#) 3.8 2.0 1.5 ! 51.61660
assign (resid 6 and name HN) (resid 5 and name HG#) 3.8 2.0 1.5 ! 56.07220
assign (resid 24 and name HN) (resid 29 and name HB#) 3.8 2.0 1.5 ! 1.29160
assign (resid 9 and name HN) (resid 7 and name HD#) 3.8 2.0 1.5 ! 10.03020
assign (resid 2 and name HA) (resid 3 and name HB#) 3.8 2.0 1.5 ! 90.29820
assign (resid 12 and name HB1) (resid 13 and name HB#) 4.5 2.7 1.5 ! 30.10570
assign (resid 12 and name HB2) (resid 13 and name HB#) 4.5 2.7 1.5 ! 25.10570
assign (resid 7 and name HD#) (resid 6 and name HA) 2.5 0.7 1 ! 1678.95361
assign (resid 4 and name HN) (resid 3 and name HB#) 2.5 0.7 1 ! 279.34760
assign (resid 29 and name HB#) (resid 29 and name HA) 2.5 0.7 1 ! 31.28020
assign (resid 12 and name HN) (resid 11 and name HG#) 3.8 2.0 1.5 ! 27.53990
assign (resid 29 and name HZ2) (resid 29 and name HB#) 3.8 2.0 1.5 ! 90.95920
assign (resid 25 and name HB1) (resid 26 and name HB#) 3.8 2.0 1.5 ! 54.90600
assign (resid 16 and name HN) (resid 17 and name HG##) 3.8 2.0 1.5 ! 46.51540
assign (resid 21 and name HE21) (resid 8 and name HG#) 3.3 1.5 1.4 ! 96.90010
assign (resid 2 and name HA) (resid 2 and name HG#) 3.3 1.5 1.4 ! 7.68780
assign (resid 18 and name HB2) (resid 17 and name HG##) 4.5 2.7 1.5 ! 3.85810
assign (resid 13 and name HN) (resid 10 and name HB#) 4.5 2.7 1.5 ! 10.19120
assign (resid 21 and name HN) (resid 21 and name HB#) 3.3 1.5 1.4 ! 193.54160
assign (resid 8 and name HG#) (resid 8 and name HA) 2.5 0.7 1 ! 27.04420
assign (resid 15 and name HN) (resid 13 and name HB#) 3.8 2.0 1.5 ! 21.40150
assign (resid 9 and name HN) (resid 8 and name HB#) 2.8 1.0 1.2 ! 11.93870
assign (resid 19 and name HN) (resid 19 and name HB#) 2.5 0.7 1 ! 573.13739
assign (resid 21 and name HE22) (resid 8 and name HB#) 3.8 2.0 1.5 ! 2.62270
assign (resid 13 and name HB#) (resid 30 and name HA) 3.3 1.5 1.4 ! 122.90850
assign (resid 19 and name HN) (resid 17 and name HG##) 4.5 2.7 1.5 ! 5.16060
assign (resid 3 and name HN) (resid 26 and name HB#) 3.8 2.0 1.5 ! 3.33510
assign (resid 20 and name HG) (resid 20 and name HB#) 2.5 0.7 1 ! 1709.44885
assign (resid 20 and name HB#) (resid 19 and name HA) 2.8 1.0 1.2 ! 234.05479
assign (resid 2 and name HG#) (resid 2 and name HB#) 2.8 1.0 1.2 ! 324.76309
assign (resid 25 and name HA) (resid 26 and name HB#) 3.8 2.0 1.5 ! 64.95740
assign (resid 7 and name HA) (resid 7 and name HG#) 2.5 0.7 1 ! 671.16199
assign (resid 15 and name HN) (resid 31 and name HA#) 4.5 2.7 1.5 ! 32.33290
assign (resid 30 and name HN) (resid 29 and name HB#) 3.3 1.5 1.4 ! 66.63700
assign (resid 28 and name HN) (resid 28 and name HA#) 3.3 1.5 1.4 ! 9.69130
assign (resid 5 and name HA) (resid 5 and name HB#) 3.3 1.5 1.4 ! 9.71400
assign (resid 4 and name HB2) (resid 26 and name HB#) 2.8 1.0 1.2 ! 213.26160
assign (resid 10 and name HN) (resid 10 and name HB#) 2.5 0.7 1 ! 621.77008
assign (resid 23 and name HD21) (resid 20 and name HD##) 3.3 1.5 1.4 ! 106.75540
assign (resid 12 and name HN) (resid 13 and name HB#) 3.3 1.5 1.4 ! 37.69160
assign (resid 21 and name HE21) (resid 19 and name HB#) 3.8 2.0 1.5 ! 24.69970
assign (resid 17 and name HA) (resid 17 and name HG##) 2.5 0.7 1 ! 43.04270
assign (resid 25 and name HD2) (resid 29 and name HB#) 4.5 2.7 1.5 ! 15.69880
assign (resid 29 and name HD1) (resid 28 and name HA#) 3.3 1.5 1.4 ! 5.10870
assign (resid 8 and name HG#) (resid 9 and name HA) 3.8 2.0 1.5 ! 53.70900
assign (resid 33 and name HN) (resid 31 and name HA#) 3.8 2.0 1.5 ! 4.40650
assign (resid 15 and name HN) (resid 14 and name HA#) 2.5 0.7 1 ! 454.92599
assign (resid 6 and name HN) (resid 7 and name HD#) 3.3 1.5 1.4 ! 35.61270
assign (resid 15 and name HB1) (resid 17 and name HG##) 4.5 2.7 1.5 ! 20.27770
assign (resid 31 and name HA#) (resid 13 and name HB#) 2.8 1.0 1.2 ! 17.14030
assign (resid 13 and name HN) (resid 11 and name HB#) 4.5 2.7 1.5 ! 24.75450
assign (resid 30 and name HN) (resid 13 and name HB#) 3.8 2.0 1.5 ! 20.84710
assign (resid 7 and name HD#) (resid 6 and name HD##) 3.3 1.5 1.4 ! 5.31930
assign (resid 18 and name HB1) (resid 20 and name HD##) 4.5 2.7 1.5 ! 27.31420
assign (resid 21 and name HA) (resid 21 and name HB#) 2.5 0.7 1 ! 1388.12891
assign (resid 10 and name HG#) (resid 10 and name HB#) 2.8 1.0 1.2 ! 17.16840
assign (resid 21 and name HG#) (resid 21 and name HB#) 2.5 0.7 1 ! 45.89760
assign (resid 8 and name HB#) (resid 9 and name HA) 4.5 2.7 1.5 ! 27.57170
assign (resid 21 and name HN) (resid 21 and name HG#) 3.3 1.5 1.4 ! 82.76440
assign (resid 22 and name HN) (resid 19 and name HB#) 2.8 1.0 1.2 ! 147.38660
assign (resid 9 and name HN) (resid 8 and name HG#) 3.3 1.5 1.4 ! 8.96250
assign (resid 21 and name HE22) (resid 8 and name HG#) 3.8 2.0 1.5 ! 29.03280
assign (resid 20 and name HN) (resid 20 and name HD##) 2.8 1.0 1.2 ! 128.13310
assign (resid 31 and name HN) (resid 28 and name HA#) 3.8 2.0 1.5 ! 2.82840
assign (resid 26 and name HN) (resid 26 and name HB#) 2.5 0.7 1 ! 663.52753
assign (resid 34 and name HB2) (resid 20 and name HD##) 3.8 2.0 1.5 ! 57.26990
assign (resid 25 and name HB2) (resid 26 and name HB#) 3.8 2.0 1.5 ! 52.65720
assign (resid 29 and name HZ3) (resid 29 and name HB#) 3.8 2.0 1.5 ! 76.65480
assign (resid 21 and name HE21) (resid 21 and name HB#) 3.3 1.5 1.4 ! 120.73710
assign (resid 10 and name HN) (resid 10 and name HG#) 3.8 2.0 1.5 ! 1.03920
assign (resid 7 and name HG#) (resid 7 and name HB#) 2.5 0.7 1 ! 563.00610
assign (resid 33 and name HN) (resid 32 and name HA#) 3.8 2.0 1.5 ! 45.45270
assign (resid 23 and name HN) (resid 20 and name HD##) 3.8 2.0 1.5 ! 21.32460
assign (resid 10 and name HE2#) (resid 10 and name HG#) 4.5 2.7 1.5 ! 33.49130
assign (resid 3 and name HA) (resid 3 and name HB#) 2.5 0.7 1 ! 42.71180
assign (resid 29 and name HD1) (resid 29 and name HB#) 2.5 0.7 1 ! 27.63560
assign (resid 18 and name HB1) (resid 17 and name HG##) 4.5 2.7 1.5 ! 25.18390
assign (resid 25 and name HA) (resid 28 and name HA#) 4.5 2.7 1.5 ! 6.08330
assign (resid 19 and name HB#) (resid 12 and name HB1) 3.8 2.0 1.5 ! 63
assign (resid 19 and name HB#) (resid 12 and name HB2) 3.8 2.0 1.5 ! 97
assign (resid 5 and name HN) (resid 3 and name HB#) 4.5 2.7 1.5 ! 19.51430
assign (resid 6 and name HG) (resid 6 and name HD##) 2.5 0.7 1 ! 26.98970
assign (resid 35 and name HN) (resid 35 and name HB#) 2.5 0.7 1 ! 214.33960
assign (resid 2 and name HN) (resid 2 and name HB#) 3.8 2.0 1.5 ! 85.19980
assign (resid 21 and name HE22) (resid 19 and name HB#) 3.3 1.5 1.4 ! 70.93810
assign (resid 7 and name HG#) (resid 7 and name HD#) 2.8 1.0 1.2 ! 12.85330
assign (resid 21 and name HA) (resid 21 and name HG#) 2.8 1.0 1.2 ! 12.57710
assign (resid 23 and name HD22) (resid 20 and name HD##) 3.3 1.5 1.4 ! 138.34399
assign (resid 22 and name HN) (resid 21 and name HB#) 2.8 1.0 1.2 ! 134.18930
assign (resid 17 and name HB) (resid 17 and name HG##) 2.5 0.7 1 ! 33.27280
assign (resid 4 and name HB1) (resid 3 and name HB#) 3.8 2.0 1.5 ! 73.38470
assign (resid 19 and name HB#) (resid 30 and name HB2) 4.5 2.7 1.5 ! 3.92300
assign (resid 8 and name HB#) (resid 6 and name HB1) 3.3 1.5 1.4 ! 121.50250
assign (resid 19 and name HB#) (resid 30 and name HB1) 3.8 2.0 1.5 ! 43.31280
assign (resid 17 and name HN) (resid 17 and name HG##) 2.5 0.7 1 ! 415.98260
assign (resid 4 and name HN) (resid 26 and name HB#) 3.8 2.0 1.5 ! 2.65630
assign (resid 26 and name HA) (resid 26 and name HB#) 2.5 0.7 1 ! 32.23440
assign (resid 5 and name HG#) (resid 5 and name HB#) 2.5 0.7 1 ! 510.59399
assign (resid 31 and name HN) (resid 29 and name HB#) 3.8 2.0 1.5 ! 33.90990
assign (resid 29 and name HN) (resid 28 and name HA#) 2.8 1.0 1.2 ! 160.37190
assign (resid 10 and name HE2#) (resid 11 and name HG#) 3.8 2.0 1.5 ! 48.95970
assign (resid 10 and name HA) (resid 10 and name HG#) 3.3 1.5 1.4 ! 7.76550
assign (resid 11 and name HN) (resid 10 and name HB#) 2.5 0.7 1 ! 655.93909
assign (resid 21 and name HE21) (resid 21 and name HG#) 2.5 0.7 1 ! 246.11951
assign (resid 13 and name HN) (resid 13 and name HB#) 2.5 0.7 1 ! 609.63568
assign (resid 35 and name HA) (resid 35 and name HB#) 2.5 0.7 1 ! 21.47440
assign (resid 16 and name HN) (resid 14 and name HA#) 3.8 2.0 1.5 ! 26.18610
assign (resid 23 and name HB1) (resid 20 and name HD##) 2.8 1.0 1.2 ! 11.97910
assign (resid 19 and name HB#) (resid 22 and name HB2) 2.5 0.7 1 ! 29.00120
assign (resid 8 and name HN) (resid 6 and name HD##) 3.8 2.0 1.5 ! 17.71980
assign (resid 19 and name HB#) (resid 22 and name HB1) 3.8 2.0 1.5 ! 80.29120
assign (resid 21 and name HE22) (resid 21 and name HB#) 3.8 2.0 1.5 ! 67.61610
assign (resid 20 and name HG) (resid 20 and name HD##) 2.8 1.0 1.2 ! 11.51900
assign (resid 31 and name HN) (resid 13 and name HB#) 3.3 1.5 1.4 ! 64.90230
assign (resid 2 and name HN) (resid 2 and name HG#) 4.5 2.7 1.5 ! 29.94110
assign (resid 19 and name HB#) (resid 21 and name HG#) 4.5 2.7 1.5 ! 31.82920
assign (resid 34 and name HB1) (resid 20 and name HD##) 3.3 1.5 1.4 ! 6.05740
assign (resid 7 and name HD#) (resid 6 and name HB2) 3.8 2.0 1.5 ! 75.47840
assign (resid 21 and name HN) (resid 6 and name HD##) 3.8 2.0 1.5 ! 14.72090
assign (resid 29 and name HH2) (resid 29 and name HB#) 4.5 2.7 1.5 ! 4.42080
assign (resid 31 and name HN) (resid 31 and name HA#) 2.8 1.0 1.2 ! 196.75380
assign (resid 22 and name HN) (resid 21 and name HG#) 3.8 2.0 1.5 ! 41.69290
assign (resid 23 and name HN) (resid 19 and name HB#) 3.8 2.0 1.5 ! 62.57830
assign (resid 4 and name HA) (resid 26 and name HB#) 2.8 1.0 1.2 ! 16.73070
assign (resid 5 and name HN) (resid 6 and name HD##) 3.8 2.0 1.5 ! 11.31140
assign (resid 5 and name HG#) (resid 6 and name HB1) 3.8 2.0 1.5 ! 86.68000
assign (resid 16 and name HB2) (resid 17 and name HG##) 3.8 2.0 1.5 ! 93.28750
assign (resid 29 and name HE1) (resid 29 and name HB#) 3.8 2.0 1.5 ! 16.17200
assign (resid 11 and name HN) (resid 11 and name HB#) 2.5 0.7 1 ! 795.77161
assign (resid 23 and name HN) (resid 20 and name HB#) 4.5 2.7 1.5 ! 38.74440
assign (resid 19 and name HB#) (resid 19 and name HA) 2.8 1.0 1.2 ! 17.62090
assign (resid 5 and name HN) (resid 5 and name HB#) 2.8 1.0 1.2 ! 192.67390
assign (resid 4 and name HB2) (resid 3 and name HB#) 3.8 2.0 1.5 ! 87.15170
assign (resid 27 and name HN) (resid 26 and name HB#) 2.5 0.7 1 ! 307.23169
assign (resid 9 and name HB2) (resid 8 and name HB#) 4.5 2.7 1.5 ! 6.87630
assign (resid 29 and name HN) (resid 29 and name HB#) 2.8 1.0 1.2 ! 176.59779
assign (resid 24 and name HD21) (resid 6 and name HD##) 3.8 2.0 1.5 ! 5.99110
assign (resid 13 and name HA) (resid 13 and name HB#) 2.5 0.7 1 ! 95.11530
assign (resid 11 and name HB#) (resid 11 and name HG#) 2.5 0.7 1 ! 32.61590
assign (resid 7 and name HG#) (resid 6 and name HA) 3.8 2.0 1.5 ! 43.26540
assign (resid 11 and name HN) (resid 10 and name HG#) 3.8 2.0 1.5 ! 63.10890
assign (resid 21 and name HN) (resid 20 and name HD##) 3.8 2.0 1.5 ! 18.25530
assign (resid 34 and name HN) (resid 32 and name HA#) 4.5 2.7 1.5 ! 16.91210
assign (resid 20 and name HN) (resid 19 and name HB#) 3.3 1.5 1.4 ! 73.78040
assign (resid 15 and name HD21) (resid 17 and name HG##) 3.8 2.0 1.5 ! 83.23200
assign (resid 20 and name HN) (resid 20 and name HB#) 2.5 0.7 1 ! 722.55402
assign (resid 3 and name HN) (resid 2 and name HB#) 3.3 1.5 1.4 ! 54.30750
assign (resid 7 and name HD#) (resid 7 and name HB#) 3.3 1.5 1.4 ! 7.84290
assign (resid 6 and name HB2) (resid 6 and name HD##) 2.5 0.7 1 ! 33.67830
assign (resid 1 and name HA) (resid 1 and name HG#) 3.8 2.0 1.5 ! 76.75010
assign (resid 21 and name HE22) (resid 21 and name HG#) 3.3 1.5 1.4 ! 57.02690
assign (resid 31 and name HN) (resid 32 and name HA#) 4.5 2.7 1.5 ! 29.56790
assign (resid 3 and name HN) (resid 1 and name HG#) 4.5 2.7 1.5 ! 16.65110
assign (resid 8 and name HN) (resid 7 and name HB#) 3.8 2.0 1.5 ! 1.88990
assign (resid 21 and name HA) (resid 6 and name HD##) 3.3 1.5 1.4 ! 8.07870
assign (resid 9 and name HB1) (resid 6 and name HD##) 4.5 2.7 1.5 ! 9.81420
assign (resid 21 and name HG#) (resid 6 and name HD##) 2.5 0.7 1 ! 30.43360
assign (resid 5 and name HA) (resid 6 and name HD##) 4.5 2.7 1.5 ! 39.30740
assign (resid 6 and name HG) (resid 5 and name HG#) 2.8 1.0 1.2 ! 294.03220
assign (resid 26 and name HA) (resid 2 and name HB#) 4.5 2.7 1.5 ! 38.56610
assign (resid 24 and name HB2) (resid 26 and name HB#) 4.5 2.7 1.5 ! 33.55560
assign (resid 15 and name HN) (resid 17 and name HG##) 4.5 2.7 1.5 ! 21.13740
assign (resid 5 and name HN) (resid 26 and name HB#) 3.8 2.0 1.5 ! 5.11640
assign (resid 9 and name HB2) (resid 10 and name HB#) 4.5 2.7 1.5 ! 10.52120
assign (resid 11 and name HN) (resid 11 and name HG#) 3.3 1.5 1.4 ! 89.25300
assign (resid 5 and name HN) (resid 5 and name HG#) 3.3 1.5 1.4 ! 90.36450
assign (resid 32 and name HN) (resid 29 and name HB#) 3.3 1.5 1.4 ! 10.45760
assign (resid 8 and name HN) (resid 7 and name HD#) 2.5 0.7 1 ! 226.87450
assign (resid 23 and name HB2) (resid 20 and name HD##) 3.8 2.0 1.5 ! 3.65840
assign (resid 27 and name HB2) (resid 26 and name HB#) 3.8 2.0 1.5 ! 2.22790
assign (resid 21 and name HE21) (resid 6 and name HD##) 3.8 2.0 1.5 ! 26.87950
assign (resid 18 and name HN) (resid 17 and name HG##) 3.3 1.5 1.4 ! 190.79210
assign (resid 12 and name HN) (resid 10 and name HB#) 3.8 2.0 1.5 ! 1.40830
assign (resid 20 and name HN) (resid 21 and name HB#) 4.5 2.7 1.5 ! 39.15210
assign (resid 3 and name HN) (resid 3 and name HB#) 2.5 0.7 1 ! 460.99649
assign (resid 24 and name HD21) (resid 26 and name HB#) 4.5 2.7 1.5 ! 22.47970
assign (resid 14 and name HN) (resid 13 and name HB#) 2.8 1.0 1.2 ! 142.66150
assign (resid 25 and name HD2) (resid 26 and name HB#) 3.8 2.0 1.5 ! 2.43330
assign (resid 20 and name HA) (resid 20 and name HB#) 2.8 1.0 1.2 ! 19.76020
assign (resid 24 and name HA) (resid 26 and name HB#) 4.5 2.7 1.5 ! 36.16690
assign (resid 14 and name HN) (resid 31 and name HA#) 2.5 0.7 1 ! 205.08130
assign (resid 27 and name HB1) (resid 6 and name HD##) 4.5 2.7 1.5 ! 30.91180
assign (resid 16 and name HA) (resid 17 and name HG##) 4.5 2.7 1.5 ! 27.82040
assign (resid 3 and name HN) (resid 2 and name HG#) 3.8 2.0 1.5 ! 25.60090
assign (resid 8 and name HB#) (resid 8 and name HG#) 2.5 0.7 1 ! 431.22049
assign (resid 8 and name HN) (resid 8 and name HB#) 2.5 0.7 1 ! 755.55298
assign (resid 27 and name HN) (resid 28 and name HA#) 3.8 2.0 1.5 ! 56.88360
assign (resid 9 and name HN) (resid 6 and name HD##) 3.8 2.0 1.5 ! 14.89820
assign (resid 24 and name HD22) (resid 6 and name HD##) 3.8 2.0 1.5 ! 13.47780
assign (resid 19 and name HB#) (resid 6 and name HD##) 4.5 2.7 1.5 ! 38.18580
assign (resid 11 and name HN) (resid 13 and name HB#) 4.5 2.7 1.5 ! 22.02250
assign (resid 32 and name HN) (resid 13 and name HB#) 4.5 2.7 1.5 ! 22.36460
assign (resid 22 and name HN) (resid 6 and name HD##) 3.8 2.0 1.5 ! 12.58370
assign (resid 20 and name HB#) (resid 20 and name HD##) 2.5 0.7 1 ! 46.02710
assign (resid 7 and name HB#) (resid 8 and name HA) 3.8 2.0 1.5 ! 59.16770
assign (resid 6 and name HD##) (resid 6 and name HA) 2.5 0.7 1 ! 706.49261
assign (resid 32 and name HN) (resid 31 and name HA#) 3.3 1.5 1.4 ! 52.13450
assign (resid 14 and name HN) (resid 14 and name HA#) 2.8 1.0 1.2 ! 14.59020
assign (resid 6 and name HN) (resid 5 and name HB#) 3.3 1.5 1.4 ! 145.98990
assign (resid 15 and name HD22) (resid 17 and name HG##) 3.3 1.5 1.4 ! 155.13640
assign (resid 6 and name HN) (resid 6 and name HD##) 2.8 1.0 1.2 ! 149.96770
assign (resid 29 and name HE1) (resid 24 and name HA) 4.5 2.7 1.0 ! 21.33980
assign (resid 16 and name HN) (resid 14 and name HN) 3.8 2.0 1.0 ! 3.03270
assign (resid 15 and name HN) (resid 17 and name HN) 3.3 1.5 0.9 ! 9.20360
assign (resid 24 and name HD21) (resid 22 and name HA) 3.8 2.0 1.0 ! 64.56570
assign (resid 16 and name HB1) (resid 16 and name HB2) 2.5 0.7 0.5 ! 92.30750
assign (resid 22 and name HN) (resid 21 and name HA) 3.3 1.5 0.9 ! 71.18850
assign (resid 27 and name HB2) (resid 27 and name HB1) 2.5 0.7 0.5 ! 107.01070
assign (resid 4 and name HB2) (resid 3 and name HA) 3.8 2.0 1.0 ! 59.93450
assign (resid 29 and name HN) (resid 30 and name HA) 3.8 2.0 1.0 ! 45.38220
assign (resid 33 and name HB2) (resid 33 and name HA) 2.8 1.0 0.7 ! 12.98650
assign (resid 5 and name HN) (resid 4 and name HN) 3.8 2.0 1.0 ! 40.32520
assign (resid 18 and name HB1) (resid 17 and name HA) 4.5 2.7 1.0 ! 17.94790
assign (resid 3 and name HN) (resid 4 and name HB1) 4.5 2.7 1.0 ! 26.62660
assign (resid 3 and name HN) (resid 4 and name HB2) 3.8 2.0 1.0 ! 55.34660
assign (resid 24 and name HD21) (resid 27 and name HB2) 3.8 2.0 1.0 ! 20.09910
assign (resid 24 and name HD21) (resid 27 and name HB1) 4.5 2.7 1.0 ! 13.24550
assign (resid 18 and name HN) (resid 19 and name HN) 3.8 2.0 1.0 ! 58.53430
assign (resid 34 and name HN) (resid 34 and name HB2) 2.5 0.7 0.5 ! 300.16800
assign (resid 34 and name HN) (resid 34 and name HB1) 2.8 1.0 0.7 ! 190.01981
assign (resid 15 and name HD22) (resid 12 and name HA) 2.8 1.0 0.7 ! 145.35249
assign (resid 25 and name HN) (resid 25 and name HD2) 4.5 2.7 1.0 ! 0.60370
assign (resid 13 and name HN) (resid 13 and name HA) 2.5 0.7 0.5 ! 389.95941
assign (resid 8 and name HN) (resid 7 and name HA) 3.3 1.5 0.9 ! 5.55930
assign (resid 23 and name HN) (resid 29 and name HA) 4.5 2.7 1.0 ! 32.86070
assign (resid 16 and name HA) (resid 16 and name HB1) 2.5 0.7 0.5 ! 52.32420
assign (resid 16 and name HA) (resid 16 and name HB2) 2.5 0.7 0.5 ! 26.81170
assign (resid 33 and name HB1) (resid 18 and name HA) 2.8 1.0 0.7 ! 15.05300
assign (resid 34 and name HN) (resid 14 and name HN) 4.5 2.7 1.0 ! 18.62030
assign (resid 10 and name HN) (resid 9 and name HA) 3.3 1.5 0.9 ! 41.30210
assign (resid 8 and name HN) (resid 9 and name HB2) 4.5 2.7 1.0 ! 23.94540
assign (resid 2 and name HN) (resid 2 and name HA) 3.8 2.0 1.0 ! 43.94060
assign (resid 16 and name HN) (resid 16 and name HG1) 3.3 1.5 0.9 ! 46.93730
assign (resid 16 and name HN) (resid 16 and name HG2) 3.3 1.5 0.9 ! 101.87580
assign (resid 10 and name HN) (resid 9 and name HN) 2.5 0.7 0.5 ! 207.82640
assign (resid 31 and name HN) (resid 30 and name HA) 3.3 1.5 0.9 ! 7.16750
assign (resid 20 and name HN) (resid 19 and name HA) 2.5 0.7 0.5 ! 465.65939
assign (resid 22 and name HB1) (resid 30 and name HA) 3.8 2.0 1.0 ! 87.31620
assign (resid 16 and name HN) (resid 15 and name HA) 3.3 1.5 0.9 ! 80.55340
assign (resid 28 and name HN) (resid 25 and name HA) 3.3 1.5 0.9 ! 60.78760
assign (resid 25 and name HB1) (resid 24 and name HA) 3.8 2.0 1.0 ! 42.35910
assign (resid 31 and name HN) (resid 30 and name HN) 2.8 1.0 0.7 ! 139.70320
assign (resid 9 and name HN) (resid 10 and name HA) 4.5 2.7 1.0 ! 3.92130
assign (resid 29 and name HE1) (resid 25 and name HA) 2.8 1.0 0.7 ! 174.11580
assign (resid 23 and name HN) (resid 23 and name HB1) 2.5 0.7 0.5 ! 465.03040
assign (resid 23 and name HN) (resid 23 and name HB2) 2.5 0.7 0.5 ! 279.40302
assign (resid 29 and name HN) (resid 24 and name HB1) 4.5 2.7 1.0 ! 17.94530
assign (resid 17 and name HA) (resid 17 and name HB) 2.8 1.0 0.7 ! 15.03470
assign (resid 19 and name HN) (resid 18 and name HB2) 3.8 2.0 1.0 ! 29.90470
assign (resid 19 and name HN) (resid 18 and name HB1) 3.3 1.5 0.9 ! 111.14290
assign (resid 29 and name HE1) (resid 25 and name HN) 4.5 2.7 1.0 ! 7.14010
assign (resid 22 and name HN) (resid 22 and name HA) 2.5 0.7 0.5 ! 229.10950
assign (resid 10 and name HN) (resid 12 and name HN) 3.8 2.0 1.0 ! 31.64160
assign (resid 34 and name HN) (resid 23 and name HD22) 4.5 2.7 1.0 ! 14.55550
assign (resid 25 and name HA) (resid 25 and name HB1) 2.5 0.7 0.5 ! 28.31800
assign (resid 25 and name HA) (resid 25 and name HB2) 2.8 1.0 0.7 ! 15.79430
assign (resid 16 and name HA) (resid 16 and name HD1) 2.8 1.0 0.7 ! 16.91570
assign (resid 23 and name HB2) (resid 29 and name HA) 4.5 2.7 1.0 ! 33.53160
assign (resid 29 and name HZ3) (resid 23 and name HD22) 4.5 2.7 1.0 ! 32.21800
assign (resid 18 and name HB1) (resid 18 and name HA) 2.8 1.0 0.7 ! 17.72140
assign (resid 34 and name HN) (resid 32 and name HN) 3.8 2.0 1.0 ! 18.58590
assign (resid 29 and name HN) (resid 31 and name HN) 4.5 2.7 1.0 ! 17.27590
assign (resid 6 and name HN) (resid 6 and name HB2) 2.5 0.7 0.5 ! 443.22549
assign (resid 23 and name HB2) (resid 30 and name HB2) 3.3 1.5 0.9 ! 8.93800
assign (resid 23 and name HB1) (resid 23 and name HB2) 2.5 0.7 0.5 ! 74.03170
assign (resid 15 and name HD21) (resid 15 and name HA) 3.8 2.0 1.0 ! 22.18230
assign (resid 34 and name HB1) (resid 34 and name HB1) 2.5 0.7 0.5 ! 94.38480
assign (resid 16 and name HN) (resid 33 and name HA) 3.8 2.0 1.0 ! 66.78470
assign (resid 25 and name HN) (resid 24 and name HA) 2.5 0.7 0.5 ! 338.97110
assign (resid 22 and name HB1) (resid 22 and name HA) 3.3 1.5 0.9 ! 7.28320
assign (resid 33 and name HN) (resid 18 and name HA) 3.8 2.0 1.0 ! 44.49060
assign (resid 23 and name HN) (resid 21 and name HE22) 4.5 2.7 1.0 ! 10.30010
assign (resid 8 and name HN) (resid 8 and name HA) 2.5 0.7 0.5 ! 334.99689
assign (resid 23 and name HD21) (resid 23 and name HB1) 2.5 0.7 0.5 ! 248.54449
assign (resid 23 and name HD21) (resid 23 and name HB2) 2.8 1.0 0.7 ! 143.84660
assign (resid 26 and name HN) (resid 24 and name HB2) 3.3 1.5 0.9 ! 85.94760
assign (resid 17 and name HN) (resid 33 and name HB2) 3.8 2.0 1.0 ! 32.57750
assign (resid 26 and name HN) (resid 24 and name HB1) 3.8 2.0 1.0 ! 12.99800
assign (resid 28 and name HN) (resid 27 and name HB2) 3.3 1.5 0.9 ! 49.37120
assign (resid 28 and name HN) (resid 27 and name HB1) 3.8 2.0 1.0 ! 31.57130
assign (resid 16 and name HB1) (resid 16 and name HG1) 3.3 1.5 0.9 ! 7.74570
assign (resid 16 and name HB1) (resid 16 and name HG2) 3.3 1.5 0.9 ! 6.68600
assign (resid 10 and name HN) (resid 9 and name HB2) 3.3 1.5 0.9 ! 109.45290
assign (resid 10 and name HN) (resid 9 and name HB1) 3.3 1.5 0.9 ! 43.01420
assign (resid 16 and name HN) (resid 16 and name HA) 2.5 0.7 0.5 ! 517.10773
assign (resid 29 and name HH2) (resid 25 and name HB1) 3.8 2.0 1.0 ! 86.16030
assign (resid 29 and name HH2) (resid 25 and name HB2) 3.8 2.0 1.0 ! 3.59910
assign (resid 27 and name HN) (resid 29 and name HA) 3.8 2.0 1.0 ! 17.94590
assign (resid 27 and name HB1) (resid 27 and name HA) 2.8 1.0 0.7 ! 13.30930
assign (resid 29 and name HN) (resid 23 and name HN) 4.5 2.7 1.0 ! 5.68390
assign (resid 29 and name HE3) (resid 23 and name HD22) 3.8 2.0 1.0 ! 74.55360
assign (resid 11 and name HN) (resid 10 and name HA) 3.8 2.0 1.0 ! 19.86940
assign (resid 24 and name HD22) (resid 22 and name HA) 3.3 1.5 0.9 ! 110.52540
assign (resid 24 and name HD21) (resid 24 and name HA) 3.3 1.5 0.9 ! 35.41540
assign (resid 23 and name HN) (resid 20 and name HA) 2.8 1.0 0.7 ! 185.95320
assign (resid 5 and name HN) (resid 6 and name HA) 4.5 2.7 1.0 ! 23.33330
assign (resid 29 and name HE1) (resid 25 and name HB1) 4.5 2.7 1.0 ! 0.57650
assign (resid 23 and name HN) (resid 20 and name HG) 4.5 2.7 1.0 ! 36.27390
assign (resid 29 and name HE1) (resid 25 and name HB2) 3.3 1.5 0.9 ! 37.56930
assign (resid 34 and name HN) (resid 33 and name HA) 3.3 1.5 0.9 ! 90.43120
assign (resid 9 and name HN) (resid 6 and name HA) 4.5 2.7 1.0 ! 26.75730
assign (resid 11 and name HN) (resid 10 and name HN) 2.5 0.7 0.5 ! 210.15750
assign (resid 31 and name HN) (resid 14 and name HN) 3.8 2.0 1.0 ! 43.13660
assign (resid 16 and name HA) (resid 16 and name HG1) 3.8 2.0 1.0 ! 2.74440
assign (resid 5 and name HN) (resid 6 and name HN) 2.5 0.7 0.5 ! 227.158
assign (resid 16 and name HA) (resid 16 and name HG2) 2.8 1.0 0.7 ! 18.15620
assign (resid 34 and name HN) (resid 33 and name HN) 2.8 1.0 0.7 ! 13.01360
assign (resid 11 and name HN) (resid 8 and name HA) 3.8 2.0 1.0 ! 4.22120
assign (resid 9 and name HN) (resid 6 and name HN) 3.8 2.0 1.0 ! 16.32720
assign (resid 14 and name HN) (resid 33 and name HB2) 3.8 2.0 1.0 ! 14.33150
assign (resid 34 and name HN) (resid 18 and name HB2) 4.5 2.7 1.0 ! 21.65640
assign (resid 17 and name HN) (resid 16 and name HB2) 3.3 1.5 0.9 ! 87.74410
assign (resid 23 and name HD21) (resid 23 and name HD22) 2.5 0.7 0.5 ! 966.66931
assign (resid 25 and name HN) (resid 25 and name HA) 3.3 1.5 0.9 ! 11.31370
assign (resid 8 and name HN) (resid 9 and name HA) 4.5 2.7 1.0 ! 12.91160
assign (resid 25 and name HN) (resid 24 and name HD21) 4.5 2.7 1.0 ! 24.01950
assign (resid 34 and name HB1) (resid 34 and name HA) 3.8 2.0 1.0 ! 3.58810
assign (resid 9 and name HN) (resid 27 and name HB1) 4.5 2.7 1.0 ! 34.76030
assign (resid 33 and name HB2) (resid 18 and name HA) 3.8 2.0 1.0 ! 4.31270
assign (resid 24 and name HD22) (resid 27 and name HB2) 3.8 2.0 1.0 ! 13.53200
assign (resid 24 and name HD22) (resid 27 and name HB1) 3.8 2.0 1.0 ! 3.22080
assign (resid 25 and name HN) (resid 29 and name HZ2) 3.3 1.5 0.9 ! 131.88029
assign (resid 29 and name HD1) (resid 29 and name HA) 3.8 2.0 1.0 ! 2.14990
assign (resid 30 and name HB2) (resid 30 and name HB1) 2.5 0.7 0.5 ! 56.57250
assign (resid 8 and name HN) (resid 9 and name HN) 2.5 0.7 0.5 ! 229.25250
assign (resid 25 and name HN) (resid 29 and name HZ3) 3.8 2.0 1.0 ! 7.17870
assign (resid 29 and name HZ2) (resid 29 and name HD1) 4.5 2.7 1.0 ! 14.88120
assign (resid 29 and name HE1) (resid 25 and name HD2) 3.8 2.0 1.0 ! 8.16030
assign (resid 16 and name HN) (resid 17 and name HB) 4.5 2.7 1.0 ! 29.63960
assign (resid 29 and name HN) (resid 24 and name HA) 3.8 2.0 1.0 ! 75.28170
assign (resid 25 and name HB2) (resid 24 and name HA) 3.8 2.0 1.0 ! 63.86100
assign (resid 28 and name HN) (resid 27 and name HA) 2.8 1.0 0.7 ! 14.93110
assign (resid 25 and name HB1) (resid 26 and name HA) 4.5 2.7 1.0 ! 14.53100
assign (resid 31 and name HN) (resid 32 and name HN) 3.3 1.5 0.9 ! 91.47180
assign (resid 30 and name HN) (resid 30 and name HB2) 3.3 1.5 0.9 ! 36.14000
assign (resid 30 and name HN) (resid 30 and name HB1) 3.3 1.5 0.9 ! 124.33930
assign (resid 29 and name HE3) (resid 23 and name HA) 3.3 1.5 0.9 ! 8.03960
assign (resid 16 and name HN) (resid 17 and name HN) 2.5 0.7 0.5 ! 23.36010
assign (resid 32 and name HN) (resid 33 and name HB1) 4.5 2.7 1.0 ! 38.93370
assign (resid 28 and name HN) (resid 27 and name HN) 2.8 1.0 0.7 ! 196.62289
assign (resid 26 and name HN) (resid 25 and name HB1) 2.8 1.0 0.7 ! 128.99550
assign (resid 26 and name HN) (resid 25 and name HB2) 3.3 1.5 0.9 ! 120.68440
assign (resid 11 and name HN) (resid 11 and name HA) 3.3 1.5 0.9 ! 7.54760
assign (resid 25 and name HB2) (resid 25 and name HB1) 2.5 0.7 0.5 ! 1377.89746
assign (resid 14 and name HN) (resid 30 and name HA) 3.3 1.5 0.9 ! 103.59510
assign (resid 23 and name HN) (resid 21 and name HA) 3.8 2.0 1.0 ! 26.39020
assign (resid 16 and name HB2) (resid 16 and name HD1) 3.8 2.0 1.0 ! 2.03500
assign (resid 29 and name HZ2) (resid 29 and name HE3) 4.5 2.7 1.0 ! 10.12920
assign (resid 20 and name HA) (resid 23 and name HB1) 2.5 0.7 0.5 ! 30.08190
assign (resid 20 and name HA) (resid 23 and name HB2) 2.5 0.7 0.5 ! 23.62350
assign (resid 34 and name HN) (resid 34 and name HA) 2.8 1.0 0.7 ! 174.06560
assign (resid 9 and name HN) (resid 7 and name HA) 3.8 2.0 1.0 ! 3.94440
assign (resid 4 and name HN) (resid 4 and name HB1) 3.3 1.5 0.9 ! 5.27960
assign (resid 11 and name HN) (resid 9 and name HA) 4.5 2.7 1.0 ! 39.07980
assign (resid 4 and name HN) (resid 4 and name HB2) 2.8 1.0 0.7 ! 15.03870
assign (resid 3 and name HN) (resid 2 and name HA) 2.5 0.7 0.5 ! 47.61580
assign (resid 15 and name HD22) (resid 15 and name HA) 4.5 2.7 1.0 ! 7.71420*
assign (resid 15 and name HD21) (resid 17 and name HB) 3.3 1.5 0.9 ! 66.76520
assign (resid 11 and name HN) (resid 9 and name HN) 3.8 2.0 1.0 ! 9.47180
assign (resid 14 and name HN) (resid 13 and name HA) 2.5 0.7 0.5 ! 45.47380
assign (resid 25 and name HN) (resid 26 and name HA) 4.5 2.7 1.0 ! 38.14200
assign (resid 24 and name HN) (resid 29 and name HA) 2.5 0.7 0.5 ! 300.84991
assign (resid 15 and name HD21) (resid 17 and name HN) 4.5 2.7 1.0 ! 10.72030
assign (resid 14 and name HN) (resid 13 and name HN) 4.5 2.7 1.0 ! 27.15380
assign (resid 30 and name HB2) (resid 22 and name HB2) 2.8 1.0 0.7 ! 18.17420
assign (resid 30 and name HB2) (resid 22 and name HB1) 3.8 2.0 1.0 ! 78.43930
assign (resid 35 and name HN) (resid 34 and name HB1) 3.8 2.0 1.0 ! 33.99540
assign (resid 35 and name HN) (resid 34 and name HB1) 3.8 2.0 1.0 ! 3.79400
assign (resid 20 and name HN) (resid 20 and name HA) 2.8 1.0 0.7 ! 187.88370
assign (resid 9 and name HN) (resid 9 and name HB2) 2.5 0.7 0.5 ! 495.51031
assign (resid 26 and name HN) (resid 25 and name HD2) 3.8 2.0 1.0 ! 2.62420
assign (resid 30 and name HN) (resid 29 and name HE3) 4.5 2.7 1.0 ! 26.70580
assign (resid 9 and name HN) (resid 9 and name HB1) 2.8 1.0 0.7 ! 190.17081
assign (resid 32 and name HN) (resid 30 and name HA) 4.5 2.7 1.0 ! 27.07450
assign (resid 20 and name HN) (resid 20 and name HG) 2.8 1.0 0.7 ! 161.23109
assign (resid 6 and name HN) (resid 5 and name HA) 2.5 0.7 0.5 ! 215.72881
assign (resid 21 and name HN) (resid 19 and name HA) 3.8 2.0 1.0 ! 18.26030
assign (resid 17 and name HN) (resid 15 and name HA) 3.8 2.0 1.0 ! 5.92750
assign (resid 23 and name HB1) (resid 23 and name HA) 3.3 1.5 0.9 ! 6.42960
assign (resid 29 and name HN) (resid 25 and name HA) 3.3 1.5 0.9 ! 66.24110
assign (resid 23 and name HD22) (resid 23 and name HB1) 2.8 1.0 0.7 ! 206.01120*
assign (resid 23 and name HD22) (resid 23 and name HB2) 3.3 1.5 0.9 ! 57.20760
assign (resid 30 and name HN) (resid 22 and name HB2) 3.3 1.5 0.9 ! 37.48680
assign (resid 30 and name HN) (resid 22 and name HB1) 3.3 1.5 0.9 ! 72.29250
assign (resid 29 and name HE3) (resid 24 and name HA) 3.3 1.5 0.9 ! 9.64360
assign (resid 26 and name HN) (resid 4 and name HA) 4.5 2.7 1.0 ! 21.34240
assign (resid 11 and name HN) (resid 12 and name HA) 4.5 2.7 1.0 ! 39.59950
assign (resid 17 and name HN) (resid 16 and name HG1) 4.5 2.7 1.0 ! 33.72870
assign (resid 24 and name HD22) (resid 24 and name HA) 3.8 2.0 1.0 ! 2.30960
assign (resid 16 and name HB2) (resid 16 and name HG1) 2.8 1.0 0.7 ! 16.13060
assign (resid 29 and name HE3) (resid 23 and name HB1) 4.5 2.7 1.0 ! 2.41770
assign (resid 16 and name HB2) (resid 16 and name HG2) 2.5 0.7 0.5 ! 22.86940
assign (resid 29 and name HZ2) (resid 29 and name HH2) 2.5 0.7 0.5 ! 25.16680
assign (resid 34 and name HN) (resid 35 and name HA) 3.8 2.0 1.0 ! 42.76860
assign (resid 23 and name HN) (resid 23 and name HD21) 3.3 1.5 0.9 ! 39.18540
assign (resid 23 and name HN) (resid 23 and name HD22) 4.5 2.7 1.0 ! 21.64820
assign (resid 9 and name HN) (resid 8 and name HA) 3.8 2.0 1.0 ! 3.84350
assign (resid 11 and name HN) (resid 12 and name HN) 2.5 0.7 0.5 ! 338.77841
assign (resid 23 and name HN) (resid 22 and name HN) 2.5 0.7 0.5 ! 298.63739
assign (resid 34 and name HN) (resid 35 and name HN) 2.5 0.7 0.5 ! 303.85101
assign (resid 24 and name HN) (resid 23 and name HB1) 3.3 1.5 0.9 ! 78.37000
assign (resid 24 and name HN) (resid 23 and name HB2) 3.8 2.0 1.0 ! 1.10680
assign (resid 19 and name HN) (resid 30 and name HB1) 3.3 1.5 0.9 ! 41.12600
assign (resid 3 and name HN) (resid 3 and name HA) 3.8 2.0 1.0 ! 3.58810
assign (resid 26 and name HN) (resid 24 and name HA) 3.8 2.0 1.0 ! 63.48150
assign (resid 34 and name HB1) (resid 34 and name HA) 3.3 1.5 0.9 ! 8.85390
assign (resid 23 and name HD21) (resid 34 and name HB1) 3.3 1.5 0.9 ! 36.93460
assign (resid 23 and name HD21) (resid 34 and name HB1) 3.8 2.0 1.0 ! 2.38490
assign (resid 25 and name HN) (resid 27 and name HN) 4.5 2.7 1.0 ! 26.06680
assign (resid 20 and name HN) (resid 21 and name HA) 4.5 2.7 1.0 ! 14.42070
assign (resid 6 and name HN) (resid 6 and name HA) 2.8 1.0 0.7 ! 158.16701
assign (resid 21 and name HN) (resid 21 and name HE21) 4.5 2.7 1.0 ! 0.69840
assign (resid 21 and name HN) (resid 21 and name HE22) 3.8 2.0 1.0 ! 41.05770
assign (resid 29 and name HH2) (resid 29 and name HZ3) 2.5 0.7 0.5 ! 47.02430
assign (resid 17 and name HN) (resid 16 and name HA) 2.8 1.0 0.7 ! 173.10249
assign (resid 29 and name HZ3) (resid 29 and name HA) 3.8 2.0 1.0 ! 64.34680
assign (resid 28 and name HN) (resid 29 and name HA) 3.8 2.0 1.0 ! 12.26170
assign (resid 21 and name HN) (resid 23 and name HB2) 4.5 2.7 1.0 ! 10.86240
assign (resid 12 and name HN) (resid 8 and name HA) 3.8 2.0 1.0 ! 40.28460
assign (resid 29 and name HE3) (resid 25 and name HA) 4.5 2.7 1.0 ! 1.77660
assign (resid 4 and name HN) (resid 27 and name HA) 3.3 1.5 0.9 ! 103.00960
assign (resid 15 and name HN) (resid 15 and name HB2) 2.8 1.0 0.7 ! 132.73100
assign (resid 15 and name HN) (resid 15 and name HB1) 2.5 0.7 0.5 ! 233.13330
assign (resid 23 and name HD21) (resid 20 and name HA) 3.8 2.0 1.0 ! 10.56550
assign (resid 18 and name HN) (resid 33 and name HB1) 4.5 2.7 1.0 ! 35.19310
assign (resid 27 and name HN) (resid 24 and name HB2) 3.8 2.0 1.0 ! 8.13130
assign (resid 18 and name HN) (resid 33 and name HB2) 3.8 2.0 1.0 ! 43.40740
assign (resid 28 and name HN) (resid 29 and name HN) 2.5 0.7 0.5 ! 318.28519
assign (resid 27 and name HN) (resid 24 and name HB1) 3.8 2.0 1.0 ! 14.05500
assign (resid 12 and name HN) (resid 10 and name HA) 3.8 2.0 1.0 ! 91.36950
assign (resid 29 and name HN) (resid 27 and name HB2) 3.3 1.5 0.9 ! 38.38810
assign (resid 29 and name HN) (resid 27 and name HB1) 4.5 2.7 1.0 ! 27.25800
assign (resid 21 and name HE21) (resid 21 and name HE22) 2.5 0.7 0.5 ! 1124.73425
assign (resid 28 and name HN) (resid 29 and name HD1) 3.8 2.0 1.0 ! 42.47850
assign (resid 29 and name HE1) (resid 29 and name HZ2) 2.5 0.7 0.5 ! 214.36620
assign (resid 23 and name HN) (resid 23 and name HA) 2.5 0.7 0.5 ! 230.54700
assign (resid 29 and name HE1) (resid 29 and name HN) 4.5 2.7 1.0 ! 0.26510
assign (resid 9 and name HN) (resid 9 and name HA) 2.5 0.7 0.5 ! 239.00771
assign (resid 11 and name HN) (resid 13 and name HN) 3.8 2.0 1.0 ! 26.82440
assign (resid 9 and name HB1) (resid 22 and name HB1) 4.5 2.7 1.0 ! 23.24720
assign (resid 30 and name HN) (resid 23 and name HB1) 4.5 2.7 1.0 ! 30.25880
assign (resid 30 and name HN) (resid 23 and name HB2) 4.5 2.7 1.0 ! 31.23880
assign (resid 19 and name HN) (resid 22 and name HB2) 3.8 2.0 1.0 ! 10.87730
assign (resid 19 and name HN) (resid 22 and name HB1) 4.5 2.7 1.0 ! 17.91650
assign (resid 29 and name HN) (resid 29 and name HZ3) 4.5 2.7 1.0 ! 0.51330
assign (resid 15 and name HD22) (resid 17 and name HB) 2.8 1.0 0.7 ! 166.66679
assign (resid 15 and name HN) (resid 12 and name HA) 4.5 2.7 1.0 ! 30.14900
assign (resid 29 and name HE3) (resid 24 and name HB2) 4.5 2.7 1.0 ! 32.34530
assign (resid 30 and name HN) (resid 29 and name HA) 2.5 0.7 0.5 ! 230.23360
assign (resid 26 and name HN) (resid 25 and name HA) 3.8 2.0 1.0 ! 95.84520
assign (resid 17 and name HN) (resid 15 and name HD22) 3.8 2.0 1.0 ! 32.46470
assign (resid 24 and name HD21) (resid 23 and name HB1) 4.5 2.7 1.0 ! 26.14930
assign (resid 24 and name HD21) (resid 23 and name HB2) 3.8 2.0 1.0 ! 1.63310
assign (resid 30 and name HN) (resid 29 and name HN) 3.3 1.5 0.9 ! 105.42300
assign (resid 26 and name HN) (resid 25 and name HN) 3.3 1.5 0.9 ! 64.49090
assign (resid 34 and name HN) (resid 30 and name HB2) 3.3 1.5 0.9 ! 121.36000
assign (resid 34 and name HN) (resid 30 and name HB1) 3.8 2.0 1.0 ! 8.69740
assign (resid 24 and name HN) (resid 24 and name HB2) 3.3 1.5 0.9 ! 48.93200
assign (resid 24 and name HN) (resid 24 and name HB1) 3.3 1.5 0.9 ! 118.98650
assign (resid 15 and name HB2) (resid 15 and name HB1) 2.5 0.7 0.5 ! 33.77570
assign (resid 34 and name HB1) (resid 18 and name HB2) 3.8 2.0 1.0 ! 70.40880
assign (resid 23 and name HB2) (resid 23 and name HA) 3.8 2.0 1.0 ! 4.89860
assign (resid 17 and name HN) (resid 17 and name HA) 2.8 1.0 0.7 ! 188.03239
assign (resid 17 and name HN) (resid 17 and name HB) 2.5 0.7 0.5 ! 412.13510
assign (resid 23 and name HN) (resid 24 and name HD22) 3.8 2.0 1.0 ! 24.20730
assign (resid 20 and name HN) (resid 22 and name HN) 3.8 2.0 1.0 ! 15.65600
assign (resid 22 and name HN) (resid 30 and name HB1) 3.8 2.0 1.0 ! 55.48480
assign (resid 12 and name HN) (resid 9 and name HA) 3.3 1.5 0.9 ! 8.29150
assign (resid 22 and name HB2) (resid 30 and name HB1) 3.3 1.5 0.9 ! 152.13730
assign (resid 30 and name HB1) (resid 22 and name HB1) 3.3 1.5 0.9 ! 6.15780
assign (resid 29 and name HN) (resid 27 and name HN) 2.8 1.0 0.7 ! 352.03430
assign (resid 12 and name HN) (resid 11 and name HA) 3.3 1.5 0.9 ! 42.75240
assign (resid 25 and name HN) (resid 29 and name HE3) 4.5 2.7 1.0 ! 17.66870
assign (resid 19 and name HN) (resid 20 and name HA) 4.5 2.7 1.0 ! 16.84810
assign (resid 16 and name HG2) (resid 16 and name HE1) 4.5 2.7 1.0 ! 29.80880
assign (resid 35 and name HN) (resid 34 and name HA) 3.3 1.5 0.9 ! 89.04220
assign (resid 15 and name HD21) (resid 15 and name HB2) 2.5 0.7 0.5 ! 228.40500
assign (resid 15 and name HD21) (resid 15 and name HB1) 2.8 1.0 0.7 ! 195.66769
assign (resid 19 and name HN) (resid 20 and name HN) 3.8 2.0 1.0 ! 20.72470
assign (resid 31 and name HN) (resid 30 and name HB2) 3.8 2.0 1.0 ! 10.56500
assign (resid 31 and name HN) (resid 30 and name HB1) 3.8 2.0 1.0 ! 45.74030
assign (resid 5 and name HN) (resid 4 and name HB1) 3.8 2.0 1.0 ! 90.25050
assign (resid 5 and name HN) (resid 4 and name HB2) 3.8 2.0 1.0 ! 0.95920
assign (resid 33 and name HN) (resid 33 and name HB1) 2.8 1.0 0.7 ! 156.35271
assign (resid 33 and name HN) (resid 33 and name HB2) 2.5 0.7 0.5 ! 306.69131
assign (resid 15 and name HN) (resid 16 and name HB2) 4.5 2.7 1.0 ! 19.67390
assign (resid 15 and name HN) (resid 13 and name HA) 3.3 1.5 0.9 ! 10.30200
assign (resid 15 and name HB1) (resid 12 and name HA) 3.8 2.0 1.0 ! 74.73500
assign (resid 26 and name HN) (resid 26 and name HA) 2.5 0.7 0.5 ! 267.20520
assign (resid 17 and name HA) (resid 18 and name HB2) 4.5 2.7 1.0 ! 17.10790
assign (resid 15 and name HN) (resid 13 and name HN) 4.5 2.7 1.0 ! 13.50220
assign (resid 23 and name HN) (resid 29 and name HZ3) 4.5 2.7 1.0 ! 19.68070
assign (resid 21 and name HN) (resid 20 and name HA) 3.3 1.5 0.9 ! 55.39900
assign (resid 21 and name HN) (resid 20 and name HG) 3.3 1.5 0.9 ! 72.39510
assign (resid 22 and name HN) (resid 19 and name HA) 3.8 2.0 1.0 ! 47.82590
assign (resid 29 and name HE3) (resid 25 and name HB2) 4.5 2.7 1.0 ! 17.23530
assign (resid 16 and name HG2) (resid 16 and name HG1) 2.5 0.7 0.5 ! 2292.99048
assign (resid 21 and name HN) (resid 20 and name HN) 2.5 0.7 0.5 ! 226.00420
assign (resid 20 and name HN) (resid 23 and name HN) 4.5 2.7 1.0 ! 6.87550
assign (resid 24 and name HD21) (resid 24 and name HB2) 2.8 1.0 0.7 ! 169.65981
assign (resid 24 and name HD21) (resid 24 and name HB1) 2.5 0.7 0.5 ! 406.01501
assign (resid 23 and name HD22) (resid 34 and name HB1) 3.3 1.5 0.9 ! 57.86650
assign (resid 23 and name HD22) (resid 34 and name HB1) 3.3 1.5 0.9 ! 8.71040
assign (resid 22 and name HN) (resid 22 and name HB2) 2.5 0.7 0.5 ! 253.14799
assign (resid 22 and name HN) (resid 22 and name HB1) 3.3 1.5 0.9 ! 117.89880
assign (resid 22 and name HB2) (resid 22 and name HB1) 2.5 0.7 0.5 ! 29.45450
assign (resid 23 and name HD22) (resid 20 and name HA) 3.8 2.0 1.0 ! 6.18470
assign (resid 12 and name HN) (resid 12 and name HA) 2.8 1.0 0.7 ! 12.80750
assign (resid 4 and name HN) (resid 3 and name HA) 2.5 0.7 0.5 ! 525.74658
assign (resid 25 and name HN) (resid 29 and name HH2) 3.8 2.0 1.0 ! 25.53290
assign (resid 16 and name HD1) (resid 16 and name HG1) 2.8 1.0 0.7 ! 11.97410
assign (resid 16 and name HD1) (resid 16 and name HG2) 2.8 1.0 0.7 ! 17.26430
assign (resid 35 and name HN) (resid 35 and name HA) 2.8 1.0 0.7 ! 179.40550
assign (resid 24 and name HA) (resid 24 and name HB2) 2.5 0.7 0.5 ! 33.39140
assign (resid 24 and name HA) (resid 24 and name HB1) 2.5 0.7 0.5 ! 46.62210
assign (resid 4 and name HN) (resid 3 and name HN) 3.8 2.0 1.0 ! 71.32090
assign (resid 8 and name HN) (resid 6 and name HB1) 3.8 2.0 1.0 ! 49.76520
assign (resid 16 and name HA) (resid 33 and name HA) 3.3 1.5 0.9 ! 172.76680
assign (resid 25 and name HA) (resid 24 and name HA) 3.8 2.0 1.0 ! 60.68660
assign (resid 8 and name HN) (resid 6 and name HB2) 3.8 2.0 1.0 ! 1.27490
assign (resid 29 and name HZ2) (resid 25 and name HB1) 3.3 1.5 0.9 ! 6.13910
assign (resid 29 and name HZ2) (resid 25 and name HB2) 2.5 0.7 0.5 ! 25.79000
assign (resid 19 and name HN) (resid 30 and name HA) 4.5 2.7 1.0 ! 32.64760
assign (resid 15 and name HB2) (resid 15 and name HA) 2.5 0.7 0.5 ! 35.02860
assign (resid 15 and name HN) (resid 14 and name HN) 2.5 0.7 0.5 ! 22.79690
assign (resid 29 and name HA) (resid 23 and name HA) 3.3 1.5 0.9 ! 8.09850
assign (resid 21 and name HN) (resid 21 and name HA) 2.5 0.7 0.5 ! 287.19440
assign (resid 15 and name HD21) (resid 15 and name HD22) 2.5 0.7 0.5 ! 1178.18848
assign (resid 29 and name HN) (resid 29 and name HA) 2.5 0.7 0.5 ! 607.95270
assign (resid 29 and name HN) (resid 30 and name HB1) 4.5 2.7 1.0 ! 24.58560
assign (resid 23 and name HD21) (resid 23 and name HA) 3.8 2.0 1.0 ! 4.21380
assign (resid 15 and name HN) (resid 16 and name HG2) 4.5 2.7 1.0 ! 22.39700
assign (resid 20 and name HG) (resid 19 and name HA) 3.8 2.0 1.0 ! 50.51410
assign (resid 29 and name HZ2) (resid 25 and name HD2) 3.3 1.5 0.9 ! 5.21520
assign (resid 4 and name HN) (resid 4 and name HA) 3.3 1.5 0.9 ! 95.49170
assign (resid 33 and name HN) (resid 23 and name HD22) 4.5 2.7 1.0 ! 18.10340
assign (resid 29 and name HE1) (resid 29 and name HD1) 2.5 0.7 0.5 ! 529.97028
assign (resid 12 and name HN) (resid 13 and name HN) 2.5 0.7 0.5 ! 324.02090
assign (resid 29 and name HH2) (resid 29 and name HE1) 3.8 2.0 1.0 ! 1.25350
assign (resid 19 and name HN) (resid 22 and name HN) 4.5 2.7 1.0 ! 4.61530
assign (resid 22 and name HN) (resid 23 and name HB1) 3.3 1.5 0.9 ! 44.32510
assign (resid 22 and name HN) (resid 23 and name HB2) 3.8 2.0 1.0 ! 19.05670
assign (resid 16 and name HN) (resid 15 and name HB2) 4.5 2.7 1.0 ! 3.68740
assign (resid 16 and name HN) (resid 15 and name HB1) 3.8 2.0 1.0 ! 10.55330
assign (resid 29 and name HZ3) (resid 24 and name HB2) 3.8 2.0 1.0 ! 67.17950
assign (resid 19 and name HN) (resid 33 and name HB1) 3.8 2.0 1.0 ! 34.10980
assign (resid 28 and name HN) (resid 24 and name HB1) 4.5 2.7 1.0 ! 23.83110
assign (resid 29 and name HZ3) (resid 24 and name HB1) 3.8 2.0 1.0 ! 82.16500
assign (resid 19 and name HN) (resid 33 and name HB2) 3.3 1.5 0.9 ! 8.32810
assign (resid 18 and name HN) (resid 18 and name HB2) 3.3 1.5 0.9 ! 119.91470
assign (resid 18 and name HN) (resid 18 and name HB1) 3.3 1.5 0.9 ! 84.81380
assign (resid 30 and name HN) (resid 30 and name HA) 2.5 0.7 0.5 ! 212.38600
assign (resid 25 and name HD2) (resid 25 and name HB1) 3.3 1.5 0.9 ! 6.51770
assign (resid 25 and name HD2) (resid 25 and name HB2) 3.8 2.0 1.0 ! 4.16440
assign (resid 29 and name HN) (resid 29 and name HD1) 3.8 2.0 1.0 ! 16.79510
assign (resid 15 and name HN) (resid 15 and name HA) 2.5 0.7 0.5 ! 226.96300
assign (resid 30 and name HB1) (resid 30 and name HA) 3.8 2.0 1.0 ! 3.09310
assign (resid 24 and name HD21) (resid 24 and name HD22) 2.5 0.7 0.5 ! 1502.23535
assign (resid 31 and name HN) (resid 29 and name HA) 3.8 2.0 1.0 ! 51.91220
assign (resid 18 and name HN) (resid 34 and name HA) 3.8 2.0 1.0 ! 61.49840
assign (resid 12 and name HN) (resid 15 and name HD22) 4.5 2.7 1.0 ! 30.63440
assign (resid 27 and name HN) (resid 25 and name HA) 3.8 2.0 1.0 ! 1.77820
assign (resid 18 and name HB2) (resid 34 and name HA) 2.5 0.7 0.5 ! 458.92780
assign (resid 25 and name HD2) (resid 25 and name HA) 3.8 2.0 1.0 ! 3.75590
assign (resid 15 and name HD22) (resid 15 and name HB2) 3.3 1.5 0.9 ! 108.93800
assign (resid 15 and name HD22) (resid 15 and name HB1) 2.8 1.0 0.7 ! 125.74950
assign (resid 13 and name HN) (resid 9 and name HA) 4.5 2.7 1.0 ! 0.61720
assign (resid 26 and name HN) (resid 28 and name HN) 3.8 2.0 1.0 ! 59.50710
assign (resid 24 and name HB1) (resid 24 and name HB2) 2.5 0.7 0.5 ! 136.38930
assign (resid 8 and name HN) (resid 10 and name HN) 3.8 2.0 1.0 ! 0.99630
assign (resid 16 and name HE1) (resid 16 and name HD1) 2.8 1.0 0.7 ! 14.63650
assign (resid 29 and name HN) (resid 29 and name HE3) 3.8 2.0 1.0 ! 30.19550
assign (resid 33 and name HB1) (resid 33 and name HA) 2.8 1.0 0.7 ! 14.01750
assign (resid 18 and name HN) (resid 17 and name HA) 2.5 0.7 0.5 ! 227.87820
assign (resid 18 and name HN) (resid 17 and name HB) 3.8 2.0 1.0 ! 47.45460
assign (resid 15 and name HN) (resid 15 and name HD21) 3.8 2.0 1.0 ! 12.77800
assign (resid 15 and name HN) (resid 15 and name HD22) 4.5 2.7 1.0 ! 11.12910
assign (resid 21 and name HN) (resid 22 and name HN) 2.5 0.7 0.5 ! 261.03711
assign (resid 33 and name HN) (resid 32 and name HN) 2.5 0.7 0.5 ! 276.50681
assign (resid 35 and name HN) (resid 30 and name HB2) 4.5 2.7 1.0 ! 19.58440
assign (resid 29 and name HH2) (resid 24 and name HA) 3.8 2.0 1.0 ! 4.22310
assign (resid 18 and name HN) (resid 17 and name HN) 3.8 2.0 1.0 ! 57.03800
assign (resid 5 and name HN) (resid 6 and name HB2) 4.5 2.7 1.0 ! 31.08870
assign (resid 25 and name HN) (resid 24 and name HB2) 2.5 0.7 0.5 ! 222.66811
assign (resid 16 and name HN) (resid 33 and name HB2) 3.8 2.0 1.0 ! 7.23020
assign (resid 29 and name HE3) (resid 29 and name HA) 2.5 0.7 0.5 ! 22.61370
assign (resid 25 and name HN) (resid 24 and name HB1) 2.5 0.7 0.5 ! 208.94130
assign (resid 15 and name HD21) (resid 12 and name HA) 2.8 1.0 0.7 ! 149.33720
assign (resid 27 and name HN) (resid 27 and name HB2) 2.5 0.7 0.5 ! 945.20923
assign (resid 34 and name HB1) (resid 23 and name HB2) 4.5 2.7 1.0 ! 34.15010
assign (resid 27 and name HN) (resid 27 and name HB1) 2.8 1.0 0.7 ! 127.24700
assign (resid 13 and name HN) (resid 11 and name HA) 3.8 2.0 1.0 ! 2.20020
assign (resid 9 and name HB2) (resid 9 and name HB1) 2.5 0.7 0.5 ! 126.04310
assign (resid 4 and name HB1) (resid 3 and name HA) 3.3 1.5 0.9 ! 108.92050
assign (resid 24 and name HN) (resid 24 and name HA) 2.8 1.0 0.7 ! 163.93401
assign (resid 4 and name HA) (resid 4 and name HB1) 2.8 1.0 0.7 ! 15.34450
assign (resid 4 and name HA) (resid 4 and name HB2) 2.5 0.7 0.5 ! 24.35760
assign (resid 21 and name HN) (resid 24 and name HD21) 4.5 2.7 1.0 ! 10.18200
assign (resid 15 and name HD21) (resid 12 and name HN) 4.5 2.7 1.0 ! 13.45920
assign (resid 6 and name HB2) (resid 6 and name HA) 2.5 0.7 0.5 ! 428.30740
assign (resid 24 and name HD22) (resid 24 and name HB2) 3.8 2.0 1.0 ! 19.79310
assign (resid 10 and name HN) (resid 7 and name HA) 3.8 2.0 1.0 ! 2.01520
assign (resid 24 and name HD22) (resid 24 and name HB1) 3.3 1.5 0.9 ! 53.03380
assign (resid 29 and name HD1) (resid 25 and name HA) 3.8 2.0 1.0 ! 2.87630
assign (resid 23 and name HN) (resid 30 and name HB1) 3.3 1.5 0.9 ! 47.15090
assign (resid 6 and name HN) (resid 4 and name HB1) 3.8 2.0 1.0 ! 53.68480
assign (resid 6 and name HN) (resid 4 and name HB2) 3.8 2.0 1.0 ! 71.68440
assign (resid 25 and name HA) (resid 26 and name HA) 4.5 2.7 1.0 ! 34.40060
assign (resid 33 and name HB2) (resid 33 and name HB1) 2.5 0.7 0.5 ! 97.64670
assign (resid 22 and name HB2) (resid 30 and name HA) 3.8 2.0 1.0 ! 96.07140
assign (resid 15 and name HN) (resid 16 and name HA) 3.3 1.5 0.9 ! 110.25750
assign (resid 29 and name HZ2) (resid 25 and name HA) 3.3 1.5 0.9 ! 9.41380
assign (resid 27 and name HN) (resid 26 and name HA) 3.3 1.5 0.9 ! 97.64670
assign (resid 15 and name HB1) (resid 15 and name HA) 2.8 1.0 0.7 ! 19.72050
assign (resid 24 and name HN) (resid 24 and name HD22) 3.8 2.0 1.0 ! 33.11600
assign (resid 22 and name HB2) (resid 9 and name HB1) 3.3 1.5 0.9 ! 197.75430
assign (resid 9 and name HA) (resid 9 and name HB2) 2.8 1.0 0.7 ! 16.95010
assign (resid 25 and name HD2) (resid 26 and name HA) 3.8 2.0 1.0 ! 3.34680
assign (resid 9 and name HA) (resid 9 and name HB1) 2.5 0.7 0.5 ! 23.26400
assign (resid 32 and name HN) (resid 30 and name HB2) 4.5 2.7 1.0 ! 38.01710
assign (resid 15 and name HN) (resid 16 and name HN) 2.5 0.7 0.5 ! 563.80469
assign (resid 32 and name HN) (resid 30 and name HB1) 4.5 2.7 1.0 ! 11.99050
assign (resid 20 and name HA) (resid 20 and name HG) 2.8 1.0 0.7 ! 17.28850
assign (resid 27 and name HN) (resid 26 and name HN) 2.5 0.7 0.5 ! 288.77380
assign (resid 34 and name HN) (resid 33 and name HB1) 3.8 2.0 1.0 ! 28.86930
assign (resid 16 and name HN) (resid 16 and name HB1) 3.3 1.5 0.9 ! 82.17890
assign (resid 24 and name HN) (resid 27 and name HB2) 3.3 1.5 0.9 ! 72.35570
assign (resid 16 and name HN) (resid 16 and name HB2) 3.3 1.5 0.9 ! 89.39490
assign (resid 24 and name HD21) (resid 21 and name HA) 4.5 2.7 1.0 ! 26.17540
assign (resid 10 and name HN) (resid 10 and name HA) 2.5 0.7 0.5 ! 265.74231
assign (resid 29 and name HZ3) (resid 25 and name HB2) 4.5 2.7 1.0 ! 30.51320
assign (resid 22 and name HN) (resid 20 and name HA) 3.3 1.5 0.9 ! 61.63600
assign (resid 33 and name HN) (resid 33 and name HA) 2.5 0.7 0.5 ! 339.82800
assign (resid 29 and name HE3) (resid 29 and name HZ3) 2.8 1.0 0.7 ! 11.96010
assign (resid 16 and name HE1) (resid 16 and name HG1) 3.8 2.0 1.0 ! 50.13030
assign (resid 18 and name HN) (resid 18 and name HA) 3.8 2.0 1.0 ! 0.99850
assign (resid 21 and name HN) (resid 23 and name HN) 3.8 2.0 1.0 ! 9.09160
assign (resid 27 and name HN) (resid 24 and name HD22) 3.8 2.0 1.0 ! 11.77390
assign (resid 18 and name HB2) (resid 18 and name HA) 3.8 2.0 1.0 ! 3.78000
assign (resid 29 and name HH2) (resid 25 and name HA) 4.5 2.7 1.0 ! 0.66860
assign (resid 25 and name HB1) (resid 24 and name HB2) 4.5 2.7 1.0 ! 20.99830
assign (resid 23 and name HD22) (resid 23 and name HA) 3.8 2.0 1.0 ! 3.13790
assign (resid 25 and name HB1) (resid 24 and name HB1) 3.8 2.0 1.0 ! 60.25010
assign (resid 15 and name HB1) (resid 16 and name HD1) 4.5 2.7 1.0 ! 25.67630
assign (resid 13 and name HN) (resid 12 and name HA) 3.3 1.5 0.9 ! 102.19200
assign (resid 21 and name HE22) (resid 19 and name HA) 4.5 2.7 1.0 ! 12.22830
assign (resid 18 and name HB2) (resid 18 and name HB1) 2.5 0.7 0.5 ! 30.79820
assign (resid 29 and name HD1) (resid 25 and name HB2) 4.5 2.7 1.0 ! 14.32020
assign (resid 22 and name HB2) (resid 22 and name HA) 3.3 1.5 0.9 ! 5.65800
assign (resid 8 and name HN) (resid 6 and name HA) 2.5 0.7 0.5 ! 213.58051
assign (resid 10 and name HN) (resid 8 and name HA) 3.8 2.0 1.0 ! 1.82710
assign (resid 8 and name HN) (resid 6 and name HN) 4.5 2.7 1.0 ! 6.89650
assign (resid 23 and name HN) (resid 22 and name HB2) 3.3 1.5 0.9 ! 67.39660
assign (resid 23 and name HN) (resid 22 and name HB1) 3.8 2.0 1.0 ! 10.07280
assign (resid 29 and name HZ2) (resid 29 and name HZ3) 3.8 2.0 1.0 ! 2.90420
assign (resid 25 and name HN) (resid 25 and name HB1) 2.8 1.0 0.7 ! 15.00590
assign (resid 9 and name HN) (resid 6 and name HB1) 2.8 1.0 0.7 ! 219.66260
assign (resid 25 and name HN) (resid 25 and name HB2) 2.8 1.0 0.7 ! 169.38091
assign (resid 16 and name HN) (resid 16 and name HD1) 3.3 1.5 0.9 ! 46.60940
assign (resid 9 and name HN) (resid 6 and name HB2) 3.8 2.0 1.0 ! 3.31440
assign (resid 2 and name HN) (resid 1 and name HA) 3.3 1.5 0.9 ! 143.82339
assign (resid 29 and name HZ3) (resid 24 and name HA) 2.5 0.7 0.5 ! 20.58730
assign (resid 27 and name HN) (resid 27 and name HA) 2.5 0.7 0.5 ! 227.96390
assign (resid 27 and name HB2) (resid 27 and name HA) 2.5 0.7 0.5 ! 67.92750
assign (resid 12 and name HN) (resid 12 and name HB1) 2.5 0.7 0.5 ! 778.13531
assign (resid 12 and name HN) (resid 12 and name HB2) 2.5 0.7 0.5 ! 378
assign (resid 15 and name HD21) (resid 12 and name HB2) 4.5 2.7 1.0 ! 12.79780
assign (resid 15 and name HD22) (resid 12 and name HB2) 4.5 2.7 1.0 ! 18.93370
assign (resid 9 and name HN) (resid 12 and name HB2) 4.5 2.7 1.0 ! 32.85700
assign (resid 13 and name HN) (resid 12 and name HB2) 3.8 2.0 1.0 ! 4.56
assign (resid 13 and name HN) (resid 12 and name HB1) 3.3 1.5 0.9 ! 5.38330
assign (resid 9 and name HA) (resid 12 and name HB1) 2.5 0.7 0.5 ! 24.88
assign (resid 9 and name HA) (resid 12 and name HB2) 2.5 0.7 0.5 ! 26.63240
assign (resid 11 and name HN) (resid 12 and name HB1) 3.8 2.0 1.0 ! 6.49
assign (resid 11 and name HN) (resid 12 and name HB2) 3.8 2.0 1.0 ! 52.54260
assign (resid 12 and name HB1) (resid 12 and name HA) 2.5 0.7 0.5 ! 483.14890
assign (resid 12 and name HB2) (resid 12 and name HA) 2.5 0.7 0.5! 483.14890
assign (resid 12 and name HB1) (resid 8 and name HA) 4.5 2.7 1.0 ! 22.76310
assign (resid 34 and name HN) (resid 34 and name HB1 or resid 33 and name HB2)2.5 0.7 1.2 ! 16.41610 
assign (resid 19 and name HN) (resid 19 and name HA or resid 18 and name HA) 2.5 0.7 1.2 ! 79.54640
assign (resid 5 and name HB# or resid 5 and name HG) (resid 5 and name HA) 2.5 0.7 1.2 ! 54.56090
assign (resid 5 and name HB# or resid 5 and name HG) (resid 5 and name HN) 2.5 0.7 1.2 ! 19.10
assign (resid 5 and name HB# or resid 5 and name HG) (resid 6 and name HN) 3.8 2.0 1.5 ! 2.70280
assign (resid 5 and name HB# or resid 5 and name HG) (resid 6 and name HD##) 3.8 2.0 1.5 ! 6.96900
assign (resid 6 and name HB1 or resid 6 and name HG) (resid 8 and name HN) 3.3 1.5 1.5 ! 8.97670
assign (resid 6 and name HB1 or resid 6 and name HG) (resid 5 and name HN) 3.3 1.5 1.5 ! 71.59920
assign (resid 6 and name HB1 or resid 6 and name HG) (resid 6 and name HN) 2.8 1.0 1.2 ! 13.62250
assign (resid 6 and name HB1 or resid 6 and name HG) (resid 9 and name HN) 3.3 1.5 1.5 ! 99.10930
assign (resid 5 and name HA or resid 4 and name HA) (resid 5 and name HN) 2.5 0.7 1.2 ! 27.0542
assign (resid 11 and name HA or resid 5 and name HA) (resid 11 and name HG# or resid 5 and name HG#)2.5 0.7 1.2 ! 23.97
assign (resid 11 and name HB# or resid 11 and name HG#) (resid 11 and name HA) 2.5 0.7 1.2 ! 28.45
assign (resid 11 and name HB# or resid 11 and name HG#) (resid 11 and name HN) 2.5 0.7 1.2 ! 37.59750
assign (resid 11 and name HB# or resid 11 and name HG#) (resid 12 and name HN) 2.5 0.7 1.2 ! 17.86410
assign (resid 15 and name HB1 or resid 23 and name HB1) (resid 15 and name HA or resid 23 and name HA)2.5 0.7 1.2 ! 56.21
assign (resid 10 and name HA or resid 17 and name HA) (resid 10 and name HB# or resid 16 and name HB2)2.5 0.7 1.2 ! 54.66850
assign (resid 30 and name HB1 or resid 18 and name HB1) (resid 30 and name HA or resid 34 and name HA)2.5 0.7 1.2 ! 23.64090
assign (resid 30 and name HB1 or resid 18 and name HB1) (resid 19 and name HN)3.3 1.5 1.5!  9.78520
assign (resid 30 and name HB1 or resid 18 and name HB1) (resid 34 and name HN)3.8 2.0 1.5 ! 3.23570
assign (resid 30 and name HB1 or resid 18 and name HB1) (resid 33 and name HB1)3.8 2.0 1.5 ! 5.16
assign (resid 22 and name HA or resid 23 and name HA) (resid 24 and name HD22)2.8 1.0 1.5 ! 11.54400
assign (resid 10 and name HA or resid 13 and name HA) (resid 12 and name HN)3.8 2.0 1.5 ! 4.52500
assign (resid 25 and name HA or resid 25 and name HB1) (resid 27 and name HN)4.5 2.7 1.5 !




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          HT1       GLU   1  37.974  -9.998   9.398
    2   2H    GLU   1          HT2       GLU   1  39.504  -9.317   9.021
    3   3H    GLU   1          HT3       GLU   1  38.883 -10.612   8.080
    4    HA   GLU   1           HA       GLU   1  37.273  -9.319   7.121
    5   1HB   GLU   1          HB2       GLU   1  36.707  -7.092   7.928
    6   2HB   GLU   1          HB1       GLU   1  36.564  -8.259   9.234
    7   1HG   GLU   1          HG2       GLU   1  39.072  -7.478   9.663
    8   2HG   GLU   1          HG1       GLU   1  38.461  -6.020   8.883
    9    H    GLU   2           HN       GLU   2  39.930  -9.854   6.496
   10    HA   GLU   2           HA       GLU   2  41.405  -7.502   5.883
   11   1HB   GLU   2          HB2       GLU   2  41.602 -10.388   5.106
   12   2HB   GLU   2          HB1       GLU   2  42.570  -9.193   4.252
   13   1HG   GLU   2          HG2       GLU   2  44.084  -9.477   5.846
   14   2HG   GLU   2          HG1       GLU   2  42.996  -8.572   6.898
   15    H    ALA   3           HN       ALA   3  39.954  -6.128   4.797
   16    HA   ALA   3           HA       ALA   3  39.684  -6.740   1.958
   17   1HB   ALA   3          HB1       ALA   3  37.512  -7.257   2.381
   18   2HB   ALA   3          HB2       ALA   3  37.343  -5.506   2.262
   19   3HB   ALA   3          HB3       ALA   3  37.453  -6.276   3.845
   20    H    CYS   4           HN       CYS   4  41.194  -4.905   3.883
   21    HA   CYS   4           HA       CYS   4  42.080  -2.811   3.793
   22   1HB   CYS   4          HB2       CYS   4  42.269  -3.533   1.400
   23   2HB   CYS   4          HB1       CYS   4  40.767  -2.688   1.081
   24    H    GLU   5           HN       GLU   5  41.517  -0.685   4.321
   25    HA   GLU   5           HA       GLU   5  38.639  -0.107   4.307
   26   1HB   GLU   5          HB2       GLU   5  38.943   1.091   6.432
   27   2HB   GLU   5          HB1       GLU   5  39.376  -0.607   6.574
   28   1HG   GLU   5          HG2       GLU   5  41.784   0.244   6.092
   29   2HG   GLU   5          HG1       GLU   5  41.132   1.802   6.597
   30    H    LEU   6           HN       LEU   6  41.065   0.656   2.582
   31    HA   LEU   6           HA       LEU   6  40.385   3.504   2.465
   32   1HB   LEU   6          HB2       LEU   6  43.089   2.270   2.689
   33   2HB   LEU   6          HB1       LEU   6  42.895   3.728   1.734
   34    HG   LEU   6           HG       LEU   6  41.642   4.484   4.009
   35   1HD1  LEU   6          HD11      LEU   6  43.948   2.819   4.980
   36   2HD1  LEU   6          HD12      LEU   6  42.278   2.254   5.014
   37   3HD1  LEU   6          HD13      LEU   6  42.744   3.684   5.935
   38   1HD2  LEU   6          HD21      LEU   6  43.163   6.026   3.417
   39   2HD2  LEU   6          HD22      LEU   6  44.322   4.818   2.862
   40   3HD2  LEU   6          HD23      LEU   6  44.200   5.200   4.580
   41    HA   PRO   7           HA       PRO   7  39.678   1.938  -1.699
   42   1HB   PRO   7          HB2       PRO   7  38.458   4.597  -2.020
   43   2HB   PRO   7          HB1       PRO   7  37.734   3.003  -2.246
   44   1HG   PRO   7          HG2       PRO   7  37.078   4.591  -0.171
   45   2HG   PRO   7          HG1       PRO   7  37.113   2.823  -0.035
   46   1HD   PRO   7          HD2       PRO   7  39.123   4.836   0.896
   47   2HD   PRO   7          HD1       PRO   7  38.572   3.342   1.688
   48    H    GLU   8           HN       GLU   8  41.384   4.552  -0.356
   49    HA   GLU   8           HA       GLU   8  42.263   5.782  -2.786
   50   1HB   GLU   8          HB2       GLU   8  43.949   6.883  -1.315
   51   2HB   GLU   8          HB1       GLU   8  42.290   7.087  -0.774
   52   1HG   GLU   8          HG2       GLU   8  42.567   5.543   0.984
   53   2HG   GLU   8          HG1       GLU   8  44.094   4.956   0.325
   54    H    CYS   9           HN       CYS   9  43.585   3.298  -0.626
   55    HA   CYS   9           HA       CYS   9  46.140   3.076  -1.600
   56   1HB   CYS   9          HB2       CYS   9  44.372   0.734  -0.875
   57   2HB   CYS   9          HB1       CYS   9  46.134   0.809  -0.804
   58    H    GLN  10           HN       GLN  10  43.175   2.206  -3.182
   59    HA   GLN  10           HA       GLN  10  44.107   0.366  -5.060
   60   1HB   GLN  10          HB2       GLN  10  41.697   1.458  -4.532
   61   2HB   GLN  10          HB1       GLN  10  42.110   2.346  -5.992
   62   1HG   GLN  10          HG2       GLN  10  42.621   0.032  -6.994
   63   2HG   GLN  10          HG1       GLN  10  41.696  -0.593  -5.629
   64   1HE2  GLN  10          HE21      GLN  10  41.527   1.692  -8.318
   65   2HE2  GLN  10          HE22      GLN  10  39.829   1.525  -8.587
   66    H    GLU  11           HN       GLU  11  44.404   3.846  -4.915
   67    HA   GLU  11           HA       GLU  11  45.888   3.791  -7.466
   68   1HB   GLU  11          HB2       GLU  11  44.341   6.067  -6.211
   69   2HB   GLU  11          HB1       GLU  11  45.339   6.215  -7.651
   70   1HG   GLU  11          HG2       GLU  11  43.706   4.136  -8.314
   71   2HG   GLU  11          HG1       GLU  11  42.643   5.141  -7.329
   72    H    ASP  12           HN       ASP  12  45.806   4.765  -4.141
   73    HA   ASP  12           HA       ASP  12  48.151   6.335  -4.139
   74   1HB   ASP  12          HB2       ASP  12  46.087   5.425  -2.322
   75   2HB   ASP  12          HB1       ASP  12  47.652   5.427  -1.576
   76    H    ALA  13           HN       ALA  13  47.550   2.943  -4.090
   77    HA   ALA  13           HA       ALA  13  50.089   2.301  -2.831
   78   1HB   ALA  13          HB1       ALA  13  49.432  -0.013  -3.073
   79   2HB   ALA  13          HB2       ALA  13  48.072   0.449  -4.096
   80   3HB   ALA  13          HB3       ALA  13  48.094   0.915  -2.395
   81    H    GLY  14           HN       GLY  14  51.934   1.841  -3.873
   82   1HA   GLY  14          HA2       GLY  14  53.360   1.250  -5.603
   83   2HA   GLY  14          HA1       GLY  14  51.954   0.885  -6.591
   84    H    ASN  15           HN       ASN  15  52.752   3.957  -5.018
   85    HA   ASN  15           HA       ASN  15  52.916   5.210  -7.654
   86   1HB   ASN  15          HB2       ASN  15  52.153   7.257  -6.459
   87   2HB   ASN  15          HB1       ASN  15  50.963   5.960  -6.446
   88   1HD2  ASN  15          HD21      ASN  15  50.115   7.278  -4.669
   89   2HD2  ASN  15          HD22      ASN  15  50.731   6.985  -3.075
   90    H    LYS  16           HN       LYS  16  54.911   3.979  -5.657
   91    HA   LYS  16           HA       LYS  16  57.052   4.282  -5.090
   92   1HB   LYS  16          HB2       LYS  16  57.182   6.909  -6.488
   93   2HB   LYS  16          HB1       LYS  16  58.380   5.615  -6.420
   94   1HG   LYS  16          HG2       LYS  16  55.872   5.738  -8.069
   95   2HG   LYS  16          HG1       LYS  16  57.540   5.652  -8.613
   96   1HD   LYS  16          HD2       LYS  16  57.447   3.403  -7.168
   97   2HD   LYS  16          HD1       LYS  16  55.751   3.513  -7.646
   98   1HE   LYS  16          HE2       LYS  16  56.208   3.172  -9.850
   99   2HE   LYS  16          HE1       LYS  16  57.788   3.948  -9.755
  100   1HZ   LYS  16          HZ1       LYS  16  58.553   1.953  -8.504
  101   2HZ   LYS  16          HZ2       LYS  16  58.130   1.642 -10.112
  102   3HZ   LYS  16          HZ3       LYS  16  57.075   1.211  -8.863
  103    H    VAL  17           HN       VAL  17  54.688   5.876  -3.803
  104    HA   VAL  17           HA       VAL  17  56.251   7.851  -2.318
  105    HB   VAL  17           HB       VAL  17  53.309   7.402  -1.914
  106   1HG1  VAL  17          HG11      VAL  17  54.492  10.098  -1.964
  107   2HG1  VAL  17          HG12      VAL  17  55.067   9.045  -0.672
  108   3HG1  VAL  17          HG13      VAL  17  53.344   9.382  -0.833
  109   1HG2  VAL  17          HG21      VAL  17  52.704   8.719  -3.736
  110   2HG2  VAL  17          HG22      VAL  17  53.962   7.679  -4.399
  111   3HG2  VAL  17          HG23      VAL  17  54.339   9.342  -3.954
  112    H    CYS  18           HN       CYS  18  54.124   7.382  -0.103
  113    HA   CYS  18           HA       CYS  18  54.801   4.863   1.037
  114   1HB   CYS  18          HB2       CYS  18  56.863   6.092   1.518
  115   2HB   CYS  18          HB1       CYS  18  55.918   7.387   2.244
  116    H    SER  19           HN       SER  19  52.862   4.352   1.690
  117    HA   SER  19           HA       SER  19  51.405   6.184   3.470
  118   1HB   SER  19          HB2       SER  19  50.415   4.756   1.035
  119   2HB   SER  19          HB1       SER  19  49.326   4.885   2.416
  120    HG   SER  19           HG       SER  19  49.793   7.194   2.344
  121    H    LEU  20           HN       LEU  20  51.593   5.337   5.346
  122    HA   LEU  20           HA       LEU  20  52.047   2.620   5.942
  123   1HB   LEU  20          HB2       LEU  20  51.074   4.942   7.585
  124   2HB   LEU  20          HB1       LEU  20  51.539   3.391   8.276
  125    HG   LEU  20           HG       LEU  20  53.442   4.905   6.552
  126   1HD1  LEU  20          HD11      LEU  20  53.457   5.320   9.507
  127   2HD1  LEU  20          HD12      LEU  20  52.405   6.308   8.494
  128   3HD1  LEU  20          HD13      LEU  20  54.148   6.318   8.227
  129   1HD2  LEU  20          HD21      LEU  20  54.465   2.940   7.014
  130   2HD2  LEU  20          HD22      LEU  20  53.537   2.678   8.490
  131   3HD2  LEU  20          HD23      LEU  20  54.909   3.787   8.496
  132    H    GLN  21           HN       GLN  21  49.208   4.640   5.861
  133    HA   GLN  21           HA       GLN  21  47.418   2.753   7.000
  134   1HB   GLN  21          HB2       GLN  21  45.823   4.355   5.394
  135   2HB   GLN  21          HB1       GLN  21  46.187   4.613   7.089
  136   1HG   GLN  21          HG2       GLN  21  46.528   6.643   5.854
  137   2HG   GLN  21          HG1       GLN  21  48.074   6.047   6.453
  138   1HE2  GLN  21          HE21      GLN  21  46.133   5.143   3.627
  139   2HE2  GLN  21          HE22      GLN  21  47.369   5.482   2.456
  140    H    CYS  22           HN       CYS  22  49.052   2.631   4.105
  141    HA   CYS  22           HA       CYS  22  46.956   0.948   2.906
  142   1HB   CYS  22          HB2       CYS  22  48.988   2.773   1.634
  143   2HB   CYS  22          HB1       CYS  22  48.235   1.465   0.727
  144    H    ASN  23           HN       ASN  23  50.130   1.170   4.153
  145    HA   ASN  23           HA       ASN  23  51.301  -1.000   2.789
  146   1HB   ASN  23          HB2       ASN  23  52.274   1.084   4.024
  147   2HB   ASN  23          HB1       ASN  23  52.151   0.048   5.441
  148   1HD2  ASN  23          HD21      ASN  23  54.450   0.961   4.835
  149   2HD2  ASN  23          HD22      ASN  23  55.485  -0.261   4.173
  150    H    ASN  24           HN       ASN  24  48.987  -2.081   3.552
  151    HA   ASN  24           HA       ASN  24  49.736  -3.712   5.866
  152   1HB   ASN  24          HB2       ASN  24  47.042  -4.085   5.721
  153   2HB   ASN  24          HB1       ASN  24  47.864  -3.048   6.858
  154   1HD2  ASN  24          HD21      ASN  24  48.449  -0.830   5.628
  155   2HD2  ASN  24          HD22      ASN  24  47.060  -0.079   4.908
  156    H    HIS  25           HN       HIS  25  48.296  -5.691   5.934
  157    HA   HIS  25           HA       HIS  25  49.044  -7.259   3.647
  158   1HB   HIS  25          HB2       HIS  25  49.388  -8.044   5.917
  159   2HB   HIS  25          HB1       HIS  25  47.662  -7.913   6.248
  160    HD1  HIS  25           HD1      HIS  25  47.858 -10.529   6.845
  161    HD2  HIS  25           HD2      HIS  25  48.432  -9.502   2.868
  162    HE1  HIS  25           HE1      HIS  25  47.622 -12.679   5.560
  163    HE2  HIS  25           HE2      HIS  25  47.879 -12.018   3.141
  164    H    ALA  26           HN       ALA  26  46.181  -5.868   5.041
  165    HA   ALA  26           HA       ALA  26  44.415  -7.391   3.317
  166   1HB   ALA  26          HB1       ALA  26  42.807  -5.617   4.590
  167   2HB   ALA  26          HB2       ALA  26  44.133  -5.788   5.741
  168   3HB   ALA  26          HB3       ALA  26  43.244  -7.212   5.203
  169    H    CYS  27           HN       CYS  27  46.128  -4.419   3.075
  170    HA   CYS  27           HA       CYS  27  44.088  -3.394   1.216
  171   1HB   CYS  27          HB2       CYS  27  46.199  -2.095   2.860
  172   2HB   CYS  27          HB1       CYS  27  45.799  -1.358   1.312
  173    H    GLY  28           HN       GLY  28  47.335  -4.599   1.464
  174   1HA   GLY  28          HA2       GLY  28  47.993  -5.677  -0.732
  175   2HA   GLY  28          HA1       GLY  28  47.682  -4.094  -1.432
  176    H    TRP  29           HN       TRP  29  48.925  -3.632   1.619
  177    HA   TRP  29           HA       TRP  29  50.890  -3.068   2.452
  178   1HB   TRP  29          HB2       TRP  29  51.905  -4.811   0.201
  179   2HB   TRP  29          HB1       TRP  29  52.965  -4.070   1.394
  180    HD1  TRP  29           HD1      TRP  29  51.388  -7.249   0.841
  181    HE1  TRP  29           HE1      TRP  29  51.087  -8.491   3.083
  182    HE3  TRP  29           HE3      TRP  29  52.051  -3.405   4.036
  183    HZ2  TRP  29           HZ2      TRP  29  51.141  -7.922   5.763
  184    HZ3  TRP  29           HZ3      TRP  29  51.860  -3.774   6.423
  185    HH2  TRP  29           HH2      TRP  29  51.425  -6.034   7.303
  186    H    ASP  30           HN       ASP  30  49.543  -1.313   0.790
  187    HA   ASP  30           HA       ASP  30  49.743   0.561  -0.488
  188   1HB   ASP  30          HB2       ASP  30  50.814   1.223   1.626
  189   2HB   ASP  30          HB1       ASP  30  52.363   0.681   1.017
  190    H    GLY  31           HN       GLY  31  50.750  -1.917  -1.698
  191   1HA   GLY  31          HA2       GLY  31  51.720  -2.547  -3.672
  192   2HA   GLY  31          HA1       GLY  31  51.801  -0.841  -4.072
  193    H    GLY  32           HN       GLY  32  53.458  -1.329  -1.198
  194   1HA   GLY  32          HA2       GLY  32  55.702  -1.852  -0.744
  195   2HA   GLY  32          HA1       GLY  32  55.963  -2.117  -2.466
  196    H    ASP  33           HN       ASP  33  54.359   0.666  -1.158
  197    HA   ASP  33           HA       ASP  33  56.298   2.419  -2.404
  198   1HB   ASP  33          HB2       ASP  33  53.576   2.716  -1.215
  199   2HB   ASP  33          HB1       ASP  33  54.581   4.139  -1.422
  200    H    CYS  34           HN       CYS  34  54.908   1.885   0.820
  201    HA   CYS  34           HA       CYS  34  56.705   3.755   2.055
  202   1HB   CYS  34          HB2       CYS  34  54.515   1.990   2.931
  203   2HB   CYS  34          HB1       CYS  34  55.810   2.153   4.106
  204    H    SER  35           HN       SER  35  56.244   0.242   2.408
  205    HA   SER  35           HA       SER  35  58.921  -0.481   2.013
  206   1HB   SER  35          HB2       SER  35  59.530   0.629   4.028
  207   2HB   SER  35          HB1       SER  35  58.134  -0.017   4.891
  208    HG   SER  35           HG       SER  35  60.425  -1.422   3.992
  Start of MODEL    2
    1   1H    GLU   1          1H        GLU   1  37.940 -10.282   7.457
    2   2H    GLU   1          2H        GLU   1  37.116  -9.127   6.491
    3   3H    GLU   1          3H        GLU   1  36.404  -9.696   7.945
    4    HA   GLU   1           HA       GLU   1  37.200  -7.645   8.491
    5   1HB   GLU   1          1HB       GLU   1  38.042  -9.840   9.758
    6   2HB   GLU   1          2HB       GLU   1  39.610  -9.225   9.254
    7   1HG   GLU   1          1HG       GLU   1  39.243  -8.388  11.417
    8   2HG   GLU   1          2HG       GLU   1  38.964  -7.037  10.320
    9    H    GLU   2           H        GLU   2  39.983  -9.405   7.107
   10    HA   GLU   2           HA       GLU   2  41.364  -6.965   6.495
   11   1HB   GLU   2          1HB       GLU   2  42.971  -8.523   5.325
   12   2HB   GLU   2          2HB       GLU   2  42.725  -8.836   7.038
   13   1HG   GLU   2          1HG       GLU   2  40.918 -10.317   5.280
   14   2HG   GLU   2          2HG       GLU   2  42.624 -10.704   5.065
   15    H    ALA   3           H        ALA   3  39.929  -5.846   5.129
   16    HA   ALA   3           HA       ALA   3  40.027  -6.756   2.356
   17   1HB   ALA   3          1HB       ALA   3  37.758  -7.204   3.656
   18   2HB   ALA   3          2HB       ALA   3  37.783  -6.709   1.964
   19   3HB   ALA   3          3HB       ALA   3  37.478  -5.516   3.227
   20    H    CYS   4           H        CYS   4  41.164  -4.599   4.220
   21    HA   CYS   4           HA       CYS   4  41.878  -2.452   4.001
   22   1HB   CYS   4          1HB       CYS   4  42.419  -3.408   1.739
   23   2HB   CYS   4          2HB       CYS   4  40.925  -2.704   1.153
   24    H    GLU   5           H        GLU   5  41.051  -0.462   4.449
   25    HA   GLU   5           HA       GLU   5  38.222  -0.012   3.799
   26   1HB   GLU   5          1HB       GLU   5  37.966   1.172   5.907
   27   2HB   GLU   5          2HB       GLU   5  38.551  -0.460   6.202
   28   1HG   GLU   5          1HG       GLU   5  40.722   0.297   6.701
   29   2HG   GLU   5          2HG       GLU   5  40.395   1.901   6.047
   30    H    LEU   6           H        LEU   6  40.933   0.810   2.607
   31    HA   LEU   6           HA       LEU   6  40.367   3.700   2.518
   32   1HB   LEU   6          1HB       LEU   6  42.937   2.186   2.592
   33   2HB   LEU   6          2HB       LEU   6  42.873   3.726   1.753
   34    HG   LEU   6           HG       LEU   6  41.854   4.602   3.994
   35   1HD1  LEU   6          1HD1      LEU   6  43.547   2.515   5.250
   36   2HD1  LEU   6          2HD1      LEU   6  41.909   2.073   4.771
   37   3HD1  LEU   6          3HD1      LEU   6  42.169   3.401   5.900
   38   1HD2  LEU   6          1HD2      LEU   6  43.867   5.539   3.347
   39   2HD2  LEU   6          2HD2      LEU   6  44.714   3.991   3.368
   40   3HD2  LEU   6          3HD2      LEU   6  44.281   4.782   4.885
   41    HA   PRO   7           HA       PRO   7  39.467   2.517  -1.727
   42   1HB   PRO   7          1HB       PRO   7  38.567   5.305  -1.908
   43   2HB   PRO   7          2HB       PRO   7  37.648   3.819  -2.159
   44   1HG   PRO   7          1HG       PRO   7  37.256   5.414  -0.017
   45   2HG   PRO   7          2HG       PRO   7  37.051   3.655   0.055
   46   1HD   PRO   7          1HD       PRO   7  39.339   5.337   1.002
   47   2HD   PRO   7          2HD       PRO   7  38.600   3.906   1.758
   48    H    GLU   8           H        GLU   8  41.532   4.790  -0.289
   49    HA   GLU   8           HA       GLU   8  42.509   5.977  -2.733
   50   1HB   GLU   8          1HB       GLU   8  44.235   6.980  -1.251
   51   2HB   GLU   8          2HB       GLU   8  42.587   7.306  -0.730
   52   1HG   GLU   8          1HG       GLU   8  42.743   5.696   1.019
   53   2HG   GLU   8          2HG       GLU   8  44.293   5.112   0.416
   54    H    CYS   9           H        CYS   9  43.599   3.455  -0.485
   55    HA   CYS   9           HA       CYS   9  46.139   3.038  -1.515
   56   1HB   CYS   9          1HB       CYS   9  44.290   0.894  -0.459
   57   2HB   CYS   9          2HB       CYS   9  46.053   0.865  -0.485
   58    H    GLN  10           H        GLN  10  43.079   2.306  -2.923
   59    HA   GLN  10           HA       GLN  10  43.816   0.192  -4.620
   60   1HB   GLN  10          1HB       GLN  10  41.498   1.568  -4.107
   61   2HB   GLN  10          2HB       GLN  10  41.877   2.093  -5.742
   62   1HG   GLN  10          1HG       GLN  10  42.266  -0.590  -5.932
   63   2HG   GLN  10          2HG       GLN  10  40.953  -0.502  -4.758
   64   1HE2  GLN  10          1HE2      GLN  10  41.852   1.225  -7.731
   65   2HE2  GLN  10          2HE2      GLN  10  40.302   1.088  -8.481
   66    H    GLU  11           H        GLU  11  44.313   3.642  -4.817
   67    HA   GLU  11           HA       GLU  11  45.615   3.274  -7.440
   68   1HB   GLU  11          1HB       GLU  11  45.230   5.716  -7.779
   69   2HB   GLU  11          2HB       GLU  11  43.747   4.776  -7.674
   70   1HG   GLU  11          1HG       GLU  11  44.794   5.999  -5.184
   71   2HG   GLU  11          2HG       GLU  11  44.063   7.060  -6.388
   72    H    ASP  12           H        ASP  12  45.824   4.545  -4.217
   73    HA   ASP  12           HA       ASP  12  48.265   5.926  -4.488
   74   1HB   ASP  12          1HB       ASP  12  46.325   5.238  -2.428
   75   2HB   ASP  12          2HB       ASP  12  47.957   5.264  -1.839
   76    H    ALA  13           H        ALA  13  47.484   2.598  -4.224
   77    HA   ALA  13           HA       ALA  13  49.970   1.806  -2.990
   78   1HB   ALA  13          1HB       ALA  13  47.866   0.138  -4.365
   79   2HB   ALA  13          2HB       ALA  13  47.945   0.485  -2.639
   80   3HB   ALA  13          3HB       ALA  13  49.209  -0.479  -3.403
   81    H    GLY  14           H        GLY  14  51.821   1.208  -3.985
   82   1HA   GLY  14          1HA       GLY  14  53.307   0.715  -5.682
   83   2HA   GLY  14          2HA       GLY  14  51.929   0.305  -6.689
   84    H    ASN  15           H        ASN  15  52.769   3.408  -5.164
   85    HA   ASN  15           HA       ASN  15  52.848   4.611  -7.830
   86   1HB   ASN  15          1HB       ASN  15  52.161   6.703  -6.629
   87   2HB   ASN  15          2HB       ASN  15  50.952   5.425  -6.613
   88   1HD2  ASN  15          1HD2      ASN  15  50.289   6.985  -4.837
   89   2HD2  ASN  15          2HD2      ASN  15  50.843   6.585  -3.247
   90    H    LYS  16           H        LYS  16  54.910   3.450  -5.798
   91    HA   LYS  16           HA       LYS  16  57.077   3.786  -5.324
   92   1HB   LYS  16          1HB       LYS  16  57.154   6.308  -6.911
   93   2HB   LYS  16          2HB       LYS  16  58.362   5.030  -6.782
   94   1HG   LYS  16          1HG       LYS  16  55.819   5.034  -8.378
   95   2HG   LYS  16          2HG       LYS  16  57.475   4.889  -8.949
   96   1HD   LYS  16          1HD       LYS  16  57.343   2.763  -7.287
   97   2HD   LYS  16          2HD       LYS  16  55.670   2.848  -7.846
   98   1HE   LYS  16          1HE       LYS  16  57.053   3.185 -10.173
   99   2HE   LYS  16          2HE       LYS  16  58.111   2.088  -9.286
  100   1HZ   LYS  16          1HZ       LYS  16  56.573   0.431  -9.315
  101   2HZ   LYS  16          2HZ       LYS  16  56.147   1.201 -10.759
  102   3HZ   LYS  16          3HZ       LYS  16  55.248   1.482  -9.354
  103    H    VAL  17           H        VAL  17  54.756   5.492  -4.077
  104    HA   VAL  17           HA       VAL  17  56.389   7.552  -2.789
  105    HB   VAL  17           HB       VAL  17  53.477   7.184  -2.183
  106   1HG1  VAL  17          1HG1      VAL  17  53.582   9.302  -1.395
  107   2HG1  VAL  17          2HG1      VAL  17  54.692   9.832  -2.659
  108   3HG1  VAL  17          3HG1      VAL  17  55.303   8.938  -1.268
  109   1HG2  VAL  17          1HG2      VAL  17  52.732   8.282  -4.103
  110   2HG2  VAL  17          2HG2      VAL  17  53.918   7.137  -4.726
  111   3HG2  VAL  17          3HG2      VAL  17  54.350   8.834  -4.532
  112    H    CYS  18           H        CYS  18  54.378   7.297  -0.443
  113    HA   CYS  18           HA       CYS  18  55.006   4.806   0.782
  114   1HB   CYS  18          1HB       CYS  18  57.149   5.975   1.073
  115   2HB   CYS  18          2HB       CYS  18  56.304   7.307   1.852
  116    H    SER  19           H        SER  19  53.034   4.446   1.472
  117    HA   SER  19           HA       SER  19  51.799   6.388   3.305
  118   1HB   SER  19          1HB       SER  19  50.641   5.078   0.901
  119   2HB   SER  19          2HB       SER  19  49.612   5.123   2.332
  120    HG   SER  19           HG       SER  19  50.629   7.236   0.797
  121    H    LEU  20           H        LEU  20  51.997   5.546   5.199
  122    HA   LEU  20           HA       LEU  20  52.320   2.810   5.792
  123   1HB   LEU  20          1HB       LEU  20  51.533   5.172   7.482
  124   2HB   LEU  20          2HB       LEU  20  51.950   3.596   8.142
  125    HG   LEU  20           HG       LEU  20  53.858   5.041   6.358
  126   1HD1  LEU  20          1HD1      LEU  20  53.737   5.435   9.341
  127   2HD1  LEU  20          2HD1      LEU  20  53.104   6.594   8.172
  128   3HD1  LEU  20          3HD1      LEU  20  54.825   6.214   8.192
  129   1HD2  LEU  20          1HD2      LEU  20  55.391   3.551   7.095
  130   2HD2  LEU  20          2HD2      LEU  20  53.955   2.577   7.414
  131   3HD2  LEU  20          3HD2      LEU  20  54.711   3.490   8.721
  132    H    GLN  21           H        GLN  21  49.577   4.960   5.748
  133    HA   GLN  21           HA       GLN  21  47.736   3.214   7.011
  134   1HB   GLN  21          1HB       GLN  21  46.220   4.825   5.287
  135   2HB   GLN  21          2HB       GLN  21  46.514   5.076   6.997
  136   1HG   GLN  21          1HG       GLN  21  47.011   7.092   5.838
  137   2HG   GLN  21          2HG       GLN  21  48.526   6.398   6.406
  138   1HE2  GLN  21          1HE2      GLN  21  46.510   5.683   3.577
  139   2HE2  GLN  21          2HE2      GLN  21  47.752   5.977   2.404
  140    H    CYS  22           H        CYS  22  49.264   2.919   4.050
  141    HA   CYS  22           HA       CYS  22  47.080   1.239   3.012
  142   1HB   CYS  22          1HB       CYS  22  49.142   2.913   1.588
  143   2HB   CYS  22          2HB       CYS  22  48.302   1.600   0.773
  144    H    ASN  23           H        ASN  23  50.300   1.415   4.133
  145    HA   ASN  23           HA       ASN  23  51.341  -0.872   2.853
  146   1HB   ASN  23          1HB       ASN  23  52.447   1.237   3.924
  147   2HB   ASN  23          2HB       ASN  23  52.353   0.286   5.401
  148   1HD2  ASN  23          1HD2      ASN  23  54.673   1.043   4.657
  149   2HD2  ASN  23          2HD2      ASN  23  55.610  -0.251   3.993
  150    H    ASN  24           H        ASN  24  49.038  -1.842   3.758
  151    HA   ASN  24           HA       ASN  24  49.806  -3.340   6.158
  152   1HB   ASN  24          1HB       ASN  24  47.114  -3.709   6.061
  153   2HB   ASN  24          2HB       ASN  24  47.939  -2.577   7.101
  154   1HD2  ASN  24          1HD2      ASN  24  48.502  -0.460   5.731
  155   2HD2  ASN  24          2HD2      ASN  24  47.121   0.223   4.936
  156    H    HIS  25           H        HIS  25  48.299  -5.315   6.331
  157    HA   HIS  25           HA       HIS  25  49.052  -7.001   4.120
  158   1HB   HIS  25          1HB       HIS  25  49.428  -7.723   6.395
  159   2HB   HIS  25          2HB       HIS  25  47.720  -7.521   6.777
  160    HD1  HIS  25           HD1      HIS  25  47.776 -10.100   7.472
  161    HD2  HIS  25           HD2      HIS  25  48.407  -9.293   3.451
  162    HE1  HIS  25           HE1      HIS  25  47.451 -12.298   6.291
  163    HE2  HIS  25           HE2      HIS  25  47.936 -11.806   3.867
  164    H    ALA  26           H        ALA  26  46.203  -5.513   5.439
  165    HA   ALA  26           HA       ALA  26  44.415  -7.145   3.846
  166   1HB   ALA  26          1HB       ALA  26  43.561  -6.732   5.966
  167   2HB   ALA  26          2HB       ALA  26  42.670  -5.624   4.919
  168   3HB   ALA  26          3HB       ALA  26  43.998  -5.024   5.914
  169    H    CYS  27           H        CYS  27  46.104  -4.156   3.430
  170    HA   CYS  27           HA       CYS  27  44.103  -3.294   1.458
  171   1HB   CYS  27          1HB       CYS  27  46.239  -1.874   2.977
  172   2HB   CYS  27          2HB       CYS  27  45.787  -1.254   1.392
  173    H    GLY  28           H        GLY  28  47.330  -4.514   1.809
  174   1HA   GLY  28          1HA       GLY  28  47.996  -5.766  -0.277
  175   2HA   GLY  28          2HA       GLY  28  47.683  -4.255  -1.117
  176    H    TRP  29           H        TRP  29  48.949  -3.537   1.886
  177    HA   TRP  29           HA       TRP  29  50.934  -2.913   2.651
  178   1HB   TRP  29          1HB       TRP  29  51.936  -4.788   0.498
  179   2HB   TRP  29          2HB       TRP  29  52.996  -3.979   1.646
  180    HD1  TRP  29           HD1      TRP  29  51.393  -7.188   1.264
  181    HE1  TRP  29           HE1      TRP  29  51.102  -8.323   3.563
  182    HE3  TRP  29           HE3      TRP  29  52.150  -3.202   4.271
  183    HZ2  TRP  29           HZ2      TRP  29  51.194  -7.628   6.232
  184    HZ3  TRP  29           HZ3      TRP  29  51.988  -3.465   6.680
  185    HH2  TRP  29           HH2      TRP  29  51.533  -5.669   7.671
  186    H    ASP  30           H        ASP  30  49.556  -1.253   0.979
  187    HA   ASP  30           HA       ASP  30  49.690   0.545  -0.405
  188   1HB   ASP  30          1HB       ASP  30  50.930   1.301   1.585
  189   2HB   ASP  30          2HB       ASP  30  52.419   0.710   0.884
  190    H    GLY  31           H        GLY  31  50.599  -2.026  -1.532
  191   1HA   GLY  31          1HA       GLY  31  51.387  -2.754  -3.554
  192   2HA   GLY  31          2HA       GLY  31  51.517  -1.069  -4.025
  193    H    GLY  32           H        GLY  32  53.332  -1.319  -1.284
  194   1HA   GLY  32          1HA       GLY  32  55.567  -2.015  -0.919
  195   2HA   GLY  32          2HA       GLY  32  55.723  -2.326  -2.646
  196    H    ASP  33           H        ASP  33  54.305   0.569  -1.339
  197    HA   ASP  33           HA       ASP  33  56.269   2.181  -2.716
  198   1HB   ASP  33          1HB       ASP  33  53.829   2.984  -1.129
  199   2HB   ASP  33          2HB       ASP  33  54.777   4.025  -2.176
  200    H    CYS  34           H        CYS  34  55.028   1.761   0.582
  201    HA   CYS  34           HA       CYS  34  56.972   3.583   1.677
  202   1HB   CYS  34          1HB       CYS  34  54.745   1.949   2.714
  203   2HB   CYS  34          2HB       CYS  34  56.102   2.101   3.819
  204    H    SER  35           H        SER  35  56.360   0.107   2.180
  205    HA   SER  35           HA       SER  35  57.741  -1.653   2.602
  206   1HB   SER  35          1HB       SER  35  58.752  -1.177   0.461
  207   2HB   SER  35          2HB       SER  35  59.724   0.119   1.158
  208    HG   SER  35           HG       SER  35  60.649  -2.141   0.828
  Start of MODEL    3
    1   1H    GLU   1          1H        GLU   1  37.857 -10.139   9.554
    2   2H    GLU   1          2H        GLU   1  39.472  -9.797   9.080
    3   3H    GLU   1          3H        GLU   1  38.339 -10.368   7.925
    4    HA   GLU   1           HA       GLU   1  37.169  -8.418   7.905
    5   1HB   GLU   1          1HB       GLU   1  37.645  -8.379  10.567
    6   2HB   GLU   1          2HB       GLU   1  38.743  -7.109  10.046
    7   1HG   GLU   1          1HG       GLU   1  36.863  -5.890  10.450
    8   2HG   GLU   1          2HG       GLU   1  36.638  -6.256   8.741
    9    H    GLU   2           H        GLU   2  39.641  -9.416   6.751
   10    HA   GLU   2           HA       GLU   2  41.232  -6.978   6.417
   11   1HB   GLU   2          1HB       GLU   2  41.732  -9.878   5.792
   12   2HB   GLU   2          2HB       GLU   2  42.725  -8.611   5.084
   13   1HG   GLU   2          1HG       GLU   2  43.940  -9.224   6.940
   14   2HG   GLU   2          2HG       GLU   2  43.044  -7.820   7.519
   15    H    ALA   3           H        ALA   3  39.822  -5.801   5.095
   16    HA   ALA   3           HA       ALA   3  39.813  -6.677   2.310
   17   1HB   ALA   3          1HB       ALA   3  37.578  -7.119   3.614
   18   2HB   ALA   3          2HB       ALA   3  37.551  -6.482   1.969
   19   3HB   ALA   3          3HB       ALA   3  37.331  -5.395   3.340
   20    H    CYS   4           H        CYS   4  41.081  -4.587   4.159
   21    HA   CYS   4           HA       CYS   4  41.865  -2.463   3.933
   22   1HB   CYS   4          1HB       CYS   4  42.249  -3.390   1.625
   23   2HB   CYS   4          2HB       CYS   4  40.751  -2.623   1.137
   24    H    GLU   5           H        GLU   5  41.143  -0.409   4.376
   25    HA   GLU   5           HA       GLU   5  38.277   0.083   3.975
   26   1HB   GLU   5          1HB       GLU   5  38.310   1.390   6.074
   27   2HB   GLU   5          2HB       GLU   5  38.700  -0.305   6.329
   28   1HG   GLU   5          1HG       GLU   5  41.045   1.356   5.859
   29   2HG   GLU   5          2HG       GLU   5  40.118   1.833   7.281
   30    H    LEU   6           H        LEU   6  40.919   0.858   2.564
   31    HA   LEU   6           HA       LEU   6  40.259   3.718   2.359
   32   1HB   LEU   6          1HB       LEU   6  42.930   2.379   2.541
   33   2HB   LEU   6          2HB       LEU   6  42.759   3.922   1.724
   34    HG   LEU   6           HG       LEU   6  41.590   3.800   4.430
   35   1HD1  LEU   6          1HD1      LEU   6  43.407   2.670   5.209
   36   2HD1  LEU   6          2HD1      LEU   6  44.054   4.310   5.234
   37   3HD1  LEU   6          3HD1      LEU   6  44.454   3.225   3.903
   38   1HD2  LEU   6          1HD2      LEU   6  43.564   5.802   3.429
   39   2HD2  LEU   6          2HD2      LEU   6  42.185   6.023   4.506
   40   3HD2  LEU   6          3HD2      LEU   6  41.926   5.791   2.777
   41    HA   PRO   7           HA       PRO   7  39.609   2.237  -1.841
   42   1HB   PRO   7          1HB       PRO   7  38.550   4.950  -2.218
   43   2HB   PRO   7          2HB       PRO   7  37.735   3.398  -2.420
   44   1HG   PRO   7          1HG       PRO   7  37.155   5.081  -0.390
   45   2HG   PRO   7          2HG       PRO   7  37.053   3.318  -0.226
   46   1HD   PRO   7          1HD       PRO   7  39.192   5.190   0.714
   47   2HD   PRO   7          2HD       PRO   7  38.511   3.757   1.520
   48    H    GLU   8           H        GLU   8  41.446   4.732  -0.457
   49    HA   GLU   8           HA       GLU   8  42.445   5.905  -2.876
   50   1HB   GLU   8          1HB       GLU   8  44.168   6.901  -1.341
   51   2HB   GLU   8          2HB       GLU   8  42.500   7.254  -0.914
   52   1HG   GLU   8          1HG       GLU   8  42.536   5.713   0.881
   53   2HG   GLU   8          2HG       GLU   8  44.071   5.030   0.349
   54    H    CYS   9           H        CYS   9  43.588   3.392  -0.646
   55    HA   CYS   9           HA       CYS   9  46.153   3.051  -1.610
   56   1HB   CYS   9          1HB       CYS   9  44.325   0.809  -0.738
   57   2HB   CYS   9          2HB       CYS   9  46.087   0.838  -0.682
   58    H    GLN  10           H        GLN  10  43.158   2.274  -3.150
   59    HA   GLN  10           HA       GLN  10  43.992   0.270  -4.914
   60   1HB   GLN  10          1HB       GLN  10  41.624   1.170  -4.483
   61   2HB   GLN  10          2HB       GLN  10  42.019   2.421  -5.655
   62   1HG   GLN  10          1HG       GLN  10  42.735   0.030  -6.888
   63   2HG   GLN  10          2HG       GLN  10  41.206  -0.309  -6.078
   64   1HE2  GLN  10          1HE2      GLN  10  39.607  -0.136  -7.466
   65   2HE2  GLN  10          2HE2      GLN  10  39.418   1.100  -8.658
   66    H    GLU  11           H        GLU  11  44.443   3.737  -4.967
   67    HA   GLU  11           HA       GLU  11  45.915   3.472  -7.511
   68   1HB   GLU  11          1HB       GLU  11  44.033   5.512  -6.521
   69   2HB   GLU  11          2HB       GLU  11  45.495   6.160  -7.251
   70   1HG   GLU  11          1HG       GLU  11  43.999   4.036  -8.696
   71   2HG   GLU  11          2HG       GLU  11  43.352   5.676  -8.680
   72    H    ASP  12           H        ASP  12  45.895   4.639  -4.244
   73    HA   ASP  12           HA       ASP  12  48.324   6.073  -4.325
   74   1HB   ASP  12          1HB       ASP  12  46.262   5.316  -2.417
   75   2HB   ASP  12          2HB       ASP  12  47.849   5.350  -1.717
   76    H    ALA  13           H        ALA  13  47.645   2.748  -4.346
   77    HA   ALA  13           HA       ALA  13  50.082   1.992  -2.945
   78   1HB   ALA  13          1HB       ALA  13  49.350  -0.323  -3.396
   79   2HB   ALA  13          2HB       ALA  13  47.965   0.312  -4.285
   80   3HB   ALA  13          3HB       ALA  13  48.124   0.627  -2.557
   81    H    GLY  14           H        GLY  14  51.900   1.152  -3.899
   82   1HA   GLY  14          1HA       GLY  14  53.434   0.726  -5.566
   83   2HA   GLY  14          2HA       GLY  14  52.070   0.293  -6.583
   84    H    ASN  15           H        ASN  15  53.004   3.396  -5.103
   85    HA   ASN  15           HA       ASN  15  53.065   4.567  -7.788
   86   1HB   ASN  15          1HB       ASN  15  52.345   6.668  -6.633
   87   2HB   ASN  15          2HB       ASN  15  51.149   5.377  -6.601
   88   1HD2  ASN  15          1HD2      ASN  15  50.385   6.865  -4.854
   89   2HD2  ASN  15          2HD2      ASN  15  50.963   6.540  -3.253
   90    H    LYS  16           H        LYS  16  55.134   3.435  -5.783
   91    HA   LYS  16           HA       LYS  16  57.294   3.803  -5.293
   92   1HB   LYS  16          1HB       LYS  16  57.337   6.351  -6.838
   93   2HB   LYS  16          2HB       LYS  16  58.562   5.090  -6.727
   94   1HG   LYS  16          1HG       LYS  16  56.026   5.083  -8.332
   95   2HG   LYS  16          2HG       LYS  16  57.687   4.970  -8.899
   96   1HD   LYS  16          1HD       LYS  16  57.520   2.822  -7.223
   97   2HD   LYS  16          2HD       LYS  16  55.893   2.884  -7.907
   98   1HE   LYS  16          1HE       LYS  16  56.659   1.910  -9.750
   99   2HE   LYS  16          2HE       LYS  16  57.699   3.305 -10.036
  100   1HZ   LYS  16          1HZ       LYS  16  59.284   2.161  -8.420
  101   2HZ   LYS  16          2HZ       LYS  16  59.147   1.508  -9.974
  102   3HZ   LYS  16          3HZ       LYS  16  58.356   0.769  -8.675
  103    H    VAL  17           H        VAL  17  54.925   5.467  -4.048
  104    HA   VAL  17           HA       VAL  17  56.536   7.501  -2.688
  105    HB   VAL  17           HB       VAL  17  53.606   7.156  -2.170
  106   1HG1  VAL  17          1HG1      VAL  17  55.423   8.875  -1.180
  107   2HG1  VAL  17          2HG1      VAL  17  53.712   9.263  -1.352
  108   3HG1  VAL  17          3HG1      VAL  17  54.865   9.796  -2.576
  109   1HG2  VAL  17          1HG2      VAL  17  52.935   8.319  -4.089
  110   2HG2  VAL  17          2HG2      VAL  17  54.087   7.130  -4.692
  111   3HG2  VAL  17          3HG2      VAL  17  54.582   8.808  -4.480
  112    H    CYS  18           H        CYS  18  54.467   7.236  -0.403
  113    HA   CYS  18           HA       CYS  18  55.066   4.716   0.802
  114   1HB   CYS  18          1HB       CYS  18  57.168   5.899   1.217
  115   2HB   CYS  18          2HB       CYS  18  56.274   7.236   1.930
  116    H    SER  19           H        SER  19  53.065   4.311   1.392
  117    HA   SER  19           HA       SER  19  51.682   6.247   3.129
  118   1HB   SER  19          1HB       SER  19  50.720   4.825   0.721
  119   2HB   SER  19          2HB       SER  19  49.629   4.766   2.106
  120    HG   SER  19           HG       SER  19  49.956   7.126   2.185
  121    H    LEU  20           H        LEU  20  51.839   5.507   5.068
  122    HA   LEU  20           HA       LEU  20  52.247   2.803   5.785
  123   1HB   LEU  20          1HB       LEU  20  51.405   5.227   7.353
  124   2HB   LEU  20          2HB       LEU  20  51.839   3.691   8.093
  125    HG   LEU  20           HG       LEU  20  53.744   5.069   6.257
  126   1HD1  LEU  20          1HD1      LEU  20  54.660   5.879   8.644
  127   2HD1  LEU  20          2HD1      LEU  20  52.926   5.944   8.953
  128   3HD1  LEU  20          3HD1      LEU  20  53.619   6.867   7.620
  129   1HD2  LEU  20          1HD2      LEU  20  54.203   2.771   6.985
  130   2HD2  LEU  20          2HD2      LEU  20  54.137   3.297   8.666
  131   3HD2  LEU  20          3HD2      LEU  20  55.405   3.906   7.600
  132    H    GLN  21           H        GLN  21  49.451   4.928   5.782
  133    HA   GLN  21           HA       GLN  21  47.673   3.130   7.047
  134   1HB   GLN  21          1HB       GLN  21  46.024   4.701   6.686
  135   2HB   GLN  21          2HB       GLN  21  47.468   5.698   6.625
  136   1HG   GLN  21          1HG       GLN  21  45.954   4.641   4.248
  137   2HG   GLN  21          2HG       GLN  21  45.890   6.289   4.871
  138   1HE2  GLN  21          1HE2      GLN  21  46.545   5.781   2.267
  139   2HE2  GLN  21          2HE2      GLN  21  48.216   6.155   2.001
  140    H    CYS  22           H        CYS  22  49.138   2.904   4.049
  141    HA   CYS  22           HA       CYS  22  46.944   1.240   3.004
  142   1HB   CYS  22          1HB       CYS  22  48.996   2.948   1.621
  143   2HB   CYS  22          2HB       CYS  22  48.248   1.598   0.780
  144    H    ASN  23           H        ASN  23  50.176   1.401   4.106
  145    HA   ASN  23           HA       ASN  23  51.199  -0.894   2.837
  146   1HB   ASN  23          1HB       ASN  23  52.320   1.197   3.928
  147   2HB   ASN  23          2HB       ASN  23  52.208   0.238   5.398
  148   1HD2  ASN  23          1HD2      ASN  23  54.540   0.974   4.678
  149   2HD2  ASN  23          2HD2      ASN  23  55.469  -0.323   4.007
  150    H    ASN  24           H        ASN  24  48.892  -1.863   3.714
  151    HA   ASN  24           HA       ASN  24  49.637  -3.379   6.108
  152   1HB   ASN  24          1HB       ASN  24  46.944  -3.741   5.993
  153   2HB   ASN  24          2HB       ASN  24  47.767  -2.623   7.049
  154   1HD2  ASN  24          1HD2      ASN  24  48.348  -0.494   5.683
  155   2HD2  ASN  24          2HD2      ASN  24  46.968   0.199   4.898
  156    H    HIS  25           H        HIS  25  48.126  -5.356   6.252
  157    HA   HIS  25           HA       HIS  25  48.902  -7.019   4.034
  158   1HB   HIS  25          1HB       HIS  25  49.247  -7.767   6.304
  159   2HB   HIS  25          2HB       HIS  25  47.536  -7.564   6.668
  160    HD1  HIS  25           HD1      HIS  25  47.557 -10.142   7.338
  161    HD2  HIS  25           HD2      HIS  25  48.272  -9.314   3.335
  162    HE1  HIS  25           HE1      HIS  25  47.245 -12.332   6.138
  163    HE2  HIS  25           HE2      HIS  25  47.590 -11.786   3.701
  164    H    ALA  26           H        ALA  26  46.025  -5.565   5.344
  165    HA   ALA  26           HA       ALA  26  44.270  -7.169   3.684
  166   1HB   ALA  26          1HB       ALA  26  42.479  -5.786   4.771
  167   2HB   ALA  26          2HB       ALA  26  43.754  -5.042   5.736
  168   3HB   ALA  26          3HB       ALA  26  43.454  -6.776   5.858
  169    H    CYS  27           H        CYS  27  45.972  -4.195   3.336
  170    HA   CYS  27           HA       CYS  27  43.983  -3.266   1.380
  171   1HB   CYS  27          1HB       CYS  27  46.108  -1.905   2.959
  172   2HB   CYS  27          2HB       CYS  27  45.712  -1.249   1.375
  173    H    GLY  28           H        GLY  28  47.210  -4.495   1.724
  174   1HA   GLY  28          1HA       GLY  28  47.887  -5.708  -0.387
  175   2HA   GLY  28          2HA       GLY  28  47.582  -4.177  -1.195
  176    H    TRP  29           H        TRP  29  48.822  -3.535   1.835
  177    HA   TRP  29           HA       TRP  29  50.799  -2.924   2.632
  178   1HB   TRP  29          1HB       TRP  29  51.813  -4.773   0.464
  179   2HB   TRP  29          2HB       TRP  29  52.869  -3.980   1.628
  180    HD1  TRP  29           HD1      TRP  29  51.268  -7.180   1.202
  181    HE1  TRP  29           HE1      TRP  29  50.953  -8.338   3.487
  182    HE3  TRP  29           HE3      TRP  29  51.996  -3.225   4.254
  183    HZ2  TRP  29           HZ2      TRP  29  51.017  -7.667   6.166
  184    HZ3  TRP  29           HZ3      TRP  29  51.808  -3.508   6.659
  185    HH2  TRP  29           HH2      TRP  29  51.342  -5.722   7.624
  186    H    ASP  30           H        ASP  30  49.465  -1.202   0.994
  187    HA   ASP  30           HA       ASP  30  49.645   0.637  -0.335
  188   1HB   ASP  30          1HB       ASP  30  50.903   1.367   1.626
  189   2HB   ASP  30          2HB       ASP  30  52.365   0.654   0.985
  190    H    GLY  31           H        GLY  31  50.577  -1.982  -1.491
  191   1HA   GLY  31          1HA       GLY  31  51.291  -2.625  -3.580
  192   2HA   GLY  31          2HA       GLY  31  51.507  -0.928  -3.969
  193    H    GLY  32           H        GLY  32  53.297  -1.072  -1.325
  194   1HA   GLY  32          1HA       GLY  32  55.476  -1.982  -0.899
  195   2HA   GLY  32          2HA       GLY  32  55.647  -2.265  -2.626
  196    H    ASP  33           H        ASP  33  54.355   0.710  -1.331
  197    HA   ASP  33           HA       ASP  33  56.526   2.169  -2.585
  198   1HB   ASP  33          1HB       ASP  33  54.297   3.525  -1.128
  199   2HB   ASP  33          2HB       ASP  33  55.143   4.009  -2.590
  200    H    CYS  34           H        CYS  34  55.060   1.769   0.627
  201    HA   CYS  34           HA       CYS  34  56.970   3.540   1.852
  202   1HB   CYS  34          1HB       CYS  34  54.675   1.918   2.746
  203   2HB   CYS  34          2HB       CYS  34  55.975   2.038   3.920
  204    H    SER  35           H        SER  35  56.295   0.062   2.245
  205    HA   SER  35           HA       SER  35  57.631  -1.722   2.702
  206   1HB   SER  35          1HB       SER  35  59.996  -0.147   1.704
  207   2HB   SER  35          2HB       SER  35  59.699  -1.881   1.586
  208    HG   SER  35           HG       SER  35  59.334  -0.808  -0.402
  Start of MODEL    4
    1   1H    GLU   1          1H        GLU   1  37.390  -7.479   6.576
    2   2H    GLU   1          2H        GLU   1  36.546  -7.626   8.063
    3   3H    GLU   1          3H        GLU   1  37.545  -8.908   7.509
    4    HA   GLU   1           HA       GLU   1  38.299  -6.285   8.567
    5   1HB   GLU   1          1HB       GLU   1  37.979  -8.701   9.743
    6   2HB   GLU   1          2HB       GLU   1  39.662  -8.824   9.250
    7   1HG   GLU   1          1HG       GLU   1  39.867  -7.952  11.357
    8   2HG   GLU   1          2HG       GLU   1  39.879  -6.489  10.373
    9    H    GLU   2           H        GLU   2  39.424  -9.047   6.650
   10    HA   GLU   2           HA       GLU   2  41.865  -7.562   5.986
   11   1HB   GLU   2          1HB       GLU   2  41.133 -10.445   6.049
   12   2HB   GLU   2          2HB       GLU   2  42.313  -9.937   4.848
   13   1HG   GLU   2          1HG       GLU   2  43.810 -10.272   6.461
   14   2HG   GLU   2          2HG       GLU   2  43.258  -8.721   7.090
   15    H    ALA   3           H        ALA   3  40.011  -6.292   4.754
   16    HA   ALA   3           HA       ALA   3  40.231  -7.136   1.967
   17   1HB   ALA   3          1HB       ALA   3  37.984  -7.816   3.001
   18   2HB   ALA   3          2HB       ALA   3  37.958  -6.932   1.474
   19   3HB   ALA   3          3HB       ALA   3  37.614  -6.092   2.987
   20    H    CYS   4           H        CYS   4  41.268  -5.002   3.894
   21    HA   CYS   4           HA       CYS   4  41.930  -2.833   3.736
   22   1HB   CYS   4          1HB       CYS   4  42.484  -3.704   1.441
   23   2HB   CYS   4          2HB       CYS   4  40.974  -3.010   0.884
   24    H    GLU   5           H        GLU   5  41.039  -0.900   4.278
   25    HA   GLU   5           HA       GLU   5  38.203  -0.499   3.627
   26   1HB   GLU   5          1HB       GLU   5  38.082   0.765   5.813
   27   2HB   GLU   5          2HB       GLU   5  38.282  -0.975   5.953
   28   1HG   GLU   5          1HG       GLU   5  40.850   0.290   5.874
   29   2HG   GLU   5          2HG       GLU   5  39.844   1.043   7.111
   30    H    LEU   6           H        LEU   6  40.896   0.457   2.492
   31    HA   LEU   6           HA       LEU   6  40.229   3.325   2.518
   32   1HB   LEU   6          1HB       LEU   6  42.854   1.915   2.612
   33   2HB   LEU   6          2HB       LEU   6  42.751   3.476   1.820
   34    HG   LEU   6           HG       LEU   6  42.063   2.897   4.702
   35   1HD1  LEU   6          1HD1      LEU   6  44.150   4.842   4.013
   36   2HD1  LEU   6          2HD1      LEU   6  44.537   3.164   3.634
   37   3HD1  LEU   6          3HD1      LEU   6  44.106   3.618   5.282
   38   1HD2  LEU   6          1HD2      LEU   6  41.847   5.393   3.042
   39   2HD2  LEU   6          2HD2      LEU   6  41.951   5.429   4.802
   40   3HD2  LEU   6          3HD2      LEU   6  40.601   4.611   4.016
   41    HA   PRO   7           HA       PRO   7  39.495   2.285  -1.797
   42   1HB   PRO   7          1HB       PRO   7  38.488   5.041  -1.889
   43   2HB   PRO   7          2HB       PRO   7  37.637   3.533  -2.230
   44   1HG   PRO   7          1HG       PRO   7  37.120   5.018  -0.036
   45   2HG   PRO   7          2HG       PRO   7  36.984   3.249  -0.043
   46   1HD   PRO   7          1HD       PRO   7  39.174   4.978   1.042
   47   2HD   PRO   7          2HD       PRO   7  38.474   3.487   1.714
   48    H    GLU   8           H        GLU   8  41.421   4.575  -0.203
   49    HA   GLU   8           HA       GLU   8  42.414   5.933  -2.541
   50   1HB   GLU   8          1HB       GLU   8  44.091   6.871  -0.959
   51   2HB   GLU   8          2HB       GLU   8  42.426   7.121  -0.454
   52   1HG   GLU   8          1HG       GLU   8  42.583   5.403   1.185
   53   2HG   GLU   8          2HG       GLU   8  44.155   4.887   0.573
   54    H    CYS   9           H        CYS   9  43.541   3.289  -0.457
   55    HA   CYS   9           HA       CYS   9  46.110   3.014  -1.456
   56   1HB   CYS   9          1HB       CYS   9  44.311   0.728  -0.639
   57   2HB   CYS   9          2HB       CYS   9  46.073   0.776  -0.595
   58    H    GLN  10           H        GLN  10  43.103   2.305  -2.990
   59    HA   GLN  10           HA       GLN  10  43.925   0.358  -4.830
   60   1HB   GLN  10          1HB       GLN  10  41.592   1.820  -4.319
   61   2HB   GLN  10          2HB       GLN  10  42.016   2.209  -5.980
   62   1HG   GLN  10          1HG       GLN  10  42.332  -0.572  -5.702
   63   2HG   GLN  10          2HG       GLN  10  40.806  -0.153  -4.925
   64   1HE2  GLN  10          1HE2      GLN  10  42.151  -1.070  -7.753
   65   2HE2  GLN  10          2HE2      GLN  10  40.978  -0.450  -8.859
   66    H    GLU  11           H        GLU  11  44.356   3.824  -4.754
   67    HA   GLU  11           HA       GLU  11  45.767   3.673  -7.342
   68   1HB   GLU  11          1HB       GLU  11  44.413   6.057  -6.063
   69   2HB   GLU  11          2HB       GLU  11  45.318   6.095  -7.570
   70   1HG   GLU  11          1HG       GLU  11  43.065   4.177  -7.337
   71   2HG   GLU  11          2HG       GLU  11  42.693   5.890  -7.526
   72    H    ASP  12           H        ASP  12  45.824   4.704  -4.030
   73    HA   ASP  12           HA       ASP  12  48.236   6.160  -4.105
   74   1HB   ASP  12          1HB       ASP  12  46.240   5.279  -2.178
   75   2HB   ASP  12          2HB       ASP  12  47.847   5.298  -1.524
   76    H    ALA  13           H        ALA  13  47.531   2.802  -4.103
   77    HA   ALA  13           HA       ALA  13  50.002   1.992  -2.845
   78   1HB   ALA  13          1HB       ALA  13  47.966   0.624  -2.648
   79   2HB   ALA  13          2HB       ALA  13  49.307  -0.273  -3.361
   80   3HB   ALA  13          3HB       ALA  13  48.008   0.335  -4.387
   81    H    GLY  14           H        GLY  14  51.883   1.463  -3.824
   82   1HA   GLY  14          1HA       GLY  14  53.436   1.146  -5.500
   83   2HA   GLY  14          2HA       GLY  14  52.103   0.707  -6.552
   84    H    ASN  15           H        ASN  15  52.889   3.766  -4.900
   85    HA   ASN  15           HA       ASN  15  52.905   5.079  -7.518
   86   1HB   ASN  15          1HB       ASN  15  52.085   7.081  -6.280
   87   2HB   ASN  15          2HB       ASN  15  50.953   5.734  -6.275
   88   1HD2  ASN  15          1HD2      ASN  15  50.170   7.165  -4.471
   89   2HD2  ASN  15          2HD2      ASN  15  50.777   6.803  -2.889
   90    H    LYS  16           H        LYS  16  55.015   3.927  -5.565
   91    HA   LYS  16           HA       LYS  16  57.159   4.353  -5.052
   92   1HB   LYS  16          1HB       LYS  16  57.101   6.976  -6.468
   93   2HB   LYS  16          2HB       LYS  16  58.376   5.760  -6.416
   94   1HG   LYS  16          1HG       LYS  16  55.843   5.732  -8.026
   95   2HG   LYS  16          2HG       LYS  16  57.507   5.714  -8.593
   96   1HD   LYS  16          1HD       LYS  16  57.482   3.481  -7.073
   97   2HD   LYS  16          2HD       LYS  16  55.812   3.510  -7.641
   98   1HE   LYS  16          1HE       LYS  16  56.909   3.946  -9.966
   99   2HE   LYS  16          2HE       LYS  16  58.347   3.267  -9.206
  100   1HZ   LYS  16          1HZ       LYS  16  56.516   1.463  -8.517
  101   2HZ   LYS  16          2HZ       LYS  16  57.455   1.346  -9.918
  102   3HZ   LYS  16          3HZ       LYS  16  55.882   1.962 -10.005
  103    H    VAL  17           H        VAL  17  54.731   5.868  -3.727
  104    HA   VAL  17           HA       VAL  17  56.268   7.890  -2.270
  105    HB   VAL  17           HB       VAL  17  53.352   7.408  -1.777
  106   1HG1  VAL  17          1HG1      VAL  17  54.512  10.111  -2.025
  107   2HG1  VAL  17          2HG1      VAL  17  55.101   9.133  -0.681
  108   3HG1  VAL  17          3HG1      VAL  17  53.377   9.466  -0.839
  109   1HG2  VAL  17          1HG2      VAL  17  54.276   9.224  -3.983
  110   2HG2  VAL  17          2HG2      VAL  17  52.645   8.652  -3.632
  111   3HG2  VAL  17          3HG2      VAL  17  53.843   7.543  -4.294
  112    H    CYS  18           H        CYS  18  54.205   7.427  -0.004
  113    HA   CYS  18           HA       CYS  18  54.890   4.881   1.080
  114   1HB   CYS  18          1HB       CYS  18  56.965   6.098   1.537
  115   2HB   CYS  18          2HB       CYS  18  56.043   7.374   2.321
  116    H    SER  19           H        SER  19  52.909   4.395   1.672
  117    HA   SER  19           HA       SER  19  51.505   6.197   3.529
  118   1HB   SER  19          1HB       SER  19  49.512   4.649   2.350
  119   2HB   SER  19          2HB       SER  19  49.854   6.342   1.994
  120    HG   SER  19           HG       SER  19  50.665   5.781   0.133
  121    H    LEU  20           H        LEU  20  51.688   5.334   5.413
  122    HA   LEU  20           HA       LEU  20  52.146   2.594   5.947
  123   1HB   LEU  20          1HB       LEU  20  51.265   4.892   7.677
  124   2HB   LEU  20          2HB       LEU  20  51.731   3.317   8.310
  125    HG   LEU  20           HG       LEU  20  53.598   4.869   6.572
  126   1HD1  LEU  20          1HD1      LEU  20  52.764   6.326   8.449
  127   2HD1  LEU  20          2HD1      LEU  20  54.506   6.044   8.419
  128   3HD1  LEU  20          3HD1      LEU  20  53.490   5.167   9.564
  129   1HD2  LEU  20          1HD2      LEU  20  55.207   3.447   7.333
  130   2HD2  LEU  20          2HD2      LEU  20  53.806   2.388   7.486
  131   3HD2  LEU  20          3HD2      LEU  20  54.432   3.232   8.903
  132    H    GLN  21           H        GLN  21  49.324   4.646   5.964
  133    HA   GLN  21           HA       GLN  21  47.555   2.765   7.145
  134   1HB   GLN  21          1HB       GLN  21  45.915   4.380   5.607
  135   2HB   GLN  21          2HB       GLN  21  46.350   4.642   7.286
  136   1HG   GLN  21          1HG       GLN  21  46.655   6.665   6.034
  137   2HG   GLN  21          2HG       GLN  21  48.222   6.059   6.563
  138   1HE2  GLN  21          1HE2      GLN  21  46.127   5.212   3.829
  139   2HE2  GLN  21          2HE2      GLN  21  47.314   5.517   2.604
  140    H    CYS  22           H        CYS  22  49.096   2.677   4.194
  141    HA   CYS  22           HA       CYS  22  46.965   1.006   3.040
  142   1HB   CYS  22          1HB       CYS  22  48.977   2.831   1.745
  143   2HB   CYS  22          2HB       CYS  22  48.233   1.518   0.842
  144    H    ASN  23           H        ASN  23  50.166   1.209   4.209
  145    HA   ASN  23           HA       ASN  23  51.286  -0.973   2.821
  146   1HB   ASN  23          1HB       ASN  23  52.316   1.103   4.030
  147   2HB   ASN  23          2HB       ASN  23  52.240   0.058   5.443
  148   1HD2  ASN  23          1HD2      ASN  23  54.543   0.926   4.772
  149   2HD2  ASN  23          2HD2      ASN  23  55.523  -0.295   4.037
  150    H    ASN  24           H        ASN  24  49.008  -2.061   3.629
  151    HA   ASN  24           HA       ASN  24  49.787  -3.668   5.953
  152   1HB   ASN  24          1HB       ASN  24  47.111  -4.116   5.792
  153   2HB   ASN  24          2HB       ASN  24  47.883  -3.020   6.907
  154   1HD2  ASN  24          1HD2      ASN  24  48.397  -0.807   5.664
  155   2HD2  ASN  24          2HD2      ASN  24  47.002  -0.127   4.890
  156    H    HIS  25           H        HIS  25  48.350  -5.699   5.986
  157    HA   HIS  25           HA       HIS  25  49.192  -7.224   3.694
  158   1HB   HIS  25          1HB       HIS  25  49.552  -8.070   5.928
  159   2HB   HIS  25          2HB       HIS  25  47.832  -7.943   6.288
  160    HD1  HIS  25           HD1      HIS  25  47.951 -10.553   6.830
  161    HD2  HIS  25           HD2      HIS  25  48.637  -9.495   2.877
  162    HE1  HIS  25           HE1      HIS  25  47.720 -12.687   5.518
  163    HE2  HIS  25           HE2      HIS  25  48.238 -12.041   3.137
  164    H    ALA  26           H        ALA  26  46.272  -5.911   5.042
  165    HA   ALA  26           HA       ALA  26  44.568  -7.497   3.313
  166   1HB   ALA  26          1HB       ALA  26  42.733  -6.223   4.446
  167   2HB   ALA  26          2HB       ALA  26  43.977  -5.452   5.430
  168   3HB   ALA  26          3HB       ALA  26  43.749  -7.199   5.507
  169    H    CYS  27           H        CYS  27  46.161  -4.433   3.126
  170    HA   CYS  27           HA       CYS  27  44.170  -3.503   1.177
  171   1HB   CYS  27          1HB       CYS  27  46.235  -2.133   2.826
  172   2HB   CYS  27          2HB       CYS  27  45.829  -1.429   1.265
  173    H    GLY  28           H        GLY  28  47.426  -4.654   1.498
  174   1HA   GLY  28          1HA       GLY  28  48.162  -5.753  -0.650
  175   2HA   GLY  28          2HA       GLY  28  47.811  -4.203  -1.401
  176    H    TRP  29           H        TRP  29  49.007  -3.643   1.665
  177    HA   TRP  29           HA       TRP  29  50.956  -3.002   2.504
  178   1HB   TRP  29          1HB       TRP  29  52.052  -4.707   0.258
  179   2HB   TRP  29          2HB       TRP  29  53.068  -3.935   1.471
  180    HD1  TRP  29           HD1      TRP  29  51.577  -7.164   0.872
  181    HE1  TRP  29           HE1      TRP  29  51.289  -8.444   3.095
  182    HE3  TRP  29           HE3      TRP  29  52.158  -3.343   4.121
  183    HZ2  TRP  29           HZ2      TRP  29  51.317  -7.906   5.803
  184    HZ3  TRP  29           HZ3      TRP  29  51.966  -3.753   6.507
  185    HH2  TRP  29           HH2      TRP  29  51.569  -6.026   7.359
  186    H    ASP  30           H        ASP  30  49.561  -1.270   0.927
  187    HA   ASP  30           HA       ASP  30  49.669   0.639  -0.304
  188   1HB   ASP  30          1HB       ASP  30  50.899   1.315   1.700
  189   2HB   ASP  30          2HB       ASP  30  52.390   0.711   1.015
  190    H    GLY  31           H        GLY  31  50.717  -1.882  -1.575
  191   1HA   GLY  31          1HA       GLY  31  51.458  -2.397  -3.690
  192   2HA   GLY  31          2HA       GLY  31  51.601  -0.675  -4.001
  193    H    GLY  32           H        GLY  32  53.393  -0.882  -1.353
  194   1HA   GLY  32          1HA       GLY  32  55.611  -1.711  -0.970
  195   2HA   GLY  32          2HA       GLY  32  55.794  -1.904  -2.709
  196    H    ASP  33           H        ASP  33  54.378   0.941  -1.257
  197    HA   ASP  33           HA       ASP  33  56.472   2.562  -2.444
  198   1HB   ASP  33          1HB       ASP  33  54.170   3.710  -0.917
  199   2HB   ASP  33          2HB       ASP  33  55.008   4.343  -2.325
  200    H    CYS  34           H        CYS  34  55.033   1.931   0.740
  201    HA   CYS  34           HA       CYS  34  56.865   3.720   2.055
  202   1HB   CYS  34          1HB       CYS  34  54.641   1.961   2.862
  203   2HB   CYS  34          2HB       CYS  34  55.935   2.072   4.044
  204    H    SER  35           H        SER  35  56.338   0.203   2.300
  205    HA   SER  35           HA       SER  35  59.010  -0.536   1.877
  206   1HB   SER  35          1HB       SER  35  59.291   0.647   4.079
  207   2HB   SER  35          2HB       SER  35  58.248  -0.576   4.803
  208    HG   SER  35           HG       SER  35  60.813  -0.736   4.506
  Start of MODEL    5
    1   1H    GLU   1          1H        GLU   1  39.779  -9.915   9.766
    2   2H    GLU   1          2H        GLU   1  38.404  -9.151  10.452
    3   3H    GLU   1          3H        GLU   1  39.849  -8.259  10.201
    4    HA   GLU   1           HA       GLU   1  38.372  -9.531   8.010
    5   1HB   GLU   1          1HB       GLU   1  37.035  -7.874   9.459
    6   2HB   GLU   1          2HB       GLU   1  38.124  -6.644   8.833
    7   1HG   GLU   1          1HG       GLU   1  36.097  -6.663   7.545
    8   2HG   GLU   1          2HG       GLU   1  37.436  -7.229   6.547
    9    H    GLU   2           H        GLU   2  39.482  -9.377   6.170
   10    HA   GLU   2           HA       GLU   2  41.581  -7.325   5.953
   11   1HB   GLU   2          1HB       GLU   2  42.916  -9.022   4.655
   12   2HB   GLU   2          2HB       GLU   2  42.757  -9.353   6.375
   13   1HG   GLU   2          1HG       GLU   2  40.801 -10.855   5.727
   14   2HG   GLU   2          2HG       GLU   2  41.403 -10.716   4.076
   15    H    ALA   3           H        ALA   3  40.000  -6.098   4.772
   16    HA   ALA   3           HA       ALA   3  39.900  -6.882   1.961
   17   1HB   ALA   3          1HB       ALA   3  37.646  -6.823   1.730
   18   2HB   ALA   3          2HB       ALA   3  37.440  -5.623   3.006
   19   3HB   ALA   3          3HB       ALA   3  37.706  -7.315   3.423
   20    H    CYS   4           H        CYS   4  41.212  -4.841   3.832
   21    HA   CYS   4           HA       CYS   4  41.963  -2.702   3.650
   22   1HB   CYS   4          1HB       CYS   4  42.275  -3.570   1.298
   23   2HB   CYS   4          2HB       CYS   4  40.771  -2.769   0.883
   24    H    GLU   5           H        GLU   5  41.225  -0.690   4.212
   25    HA   GLU   5           HA       GLU   5  38.351  -0.202   3.874
   26   1HB   GLU   5          1HB       GLU   5  38.265   0.839   6.032
   27   2HB   GLU   5          2HB       GLU   5  39.018  -0.738   6.225
   28   1HG   GLU   5          1HG       GLU   5  41.231   0.362   6.216
   29   2HG   GLU   5          2HG       GLU   5  40.418   1.926   6.140
   30    H    LEU   6           H        LEU   6  40.988   0.668   2.488
   31    HA   LEU   6           HA       LEU   6  40.275   3.519   2.398
   32   1HB   LEU   6          1HB       LEU   6  42.999   2.256   2.461
   33   2HB   LEU   6          2HB       LEU   6  42.737   3.889   1.889
   34    HG   LEU   6           HG       LEU   6  43.410   4.203   4.088
   35   1HD1  LEU   6          1HD1      LEU   6  41.001   5.078   3.434
   36   2HD1  LEU   6          2HD1      LEU   6  41.681   5.327   5.042
   37   3HD1  LEU   6          3HD1      LEU   6  40.529   4.021   4.765
   38   1HD2  LEU   6          1HD2      LEU   6  41.918   1.682   4.619
   39   2HD2  LEU   6          2HD2      LEU   6  42.185   2.817   5.941
   40   3HD2  LEU   6          3HD2      LEU   6  43.559   2.139   5.070
   41    HA   PRO   7           HA       PRO   7  39.724   2.197  -1.868
   42   1HB   PRO   7          1HB       PRO   7  38.610   4.898  -2.152
   43   2HB   PRO   7          2HB       PRO   7  37.833   3.338  -2.430
   44   1HG   PRO   7          1HG       PRO   7  37.184   4.922  -0.342
   45   2HG   PRO   7          2HG       PRO   7  37.124   3.152  -0.250
   46   1HD   PRO   7          1HD       PRO   7  39.203   5.035   0.795
   47   2HD   PRO   7          2HD       PRO   7  38.544   3.557   1.534
   48    H    GLU   8           H        GLU   8  41.489   4.677  -0.363
   49    HA   GLU   8           HA       GLU   8  42.473   5.992  -2.704
   50   1HB   GLU   8          1HB       GLU   8  44.231   6.865  -1.107
   51   2HB   GLU   8          2HB       GLU   8  42.563   7.237  -0.693
   52   1HG   GLU   8          1HG       GLU   8  42.532   5.681   1.054
   53   2HG   GLU   8          2HG       GLU   8  43.992   4.877   0.477
   54    H    CYS   9           H        CYS   9  43.625   3.316  -0.690
   55    HA   CYS   9           HA       CYS   9  46.197   3.054  -1.643
   56   1HB   CYS   9          1HB       CYS   9  44.375   0.713  -1.087
   57   2HB   CYS   9          2HB       CYS   9  46.130   0.781  -0.930
   58    H    GLN  10           H        GLN  10  43.226   2.425  -3.307
   59    HA   GLN  10           HA       GLN  10  44.065   0.622  -5.256
   60   1HB   GLN  10          1HB       GLN  10  41.713   1.408  -4.867
   61   2HB   GLN  10          2HB       GLN  10  42.136   2.909  -5.680
   62   1HG   GLN  10          1HG       GLN  10  42.908   0.734  -7.342
   63   2HG   GLN  10          2HG       GLN  10  41.246   0.478  -6.812
   64   1HE2  GLN  10          1HE2      GLN  10  40.120   2.850  -6.740
   65   2HE2  GLN  10          2HE2      GLN  10  40.178   3.645  -8.273
   66    H    GLU  11           H        GLU  11  44.567   4.078  -4.970
   67    HA   GLU  11           HA       GLU  11  46.149   4.014  -7.461
   68   1HB   GLU  11          1HB       GLU  11  45.752   6.453  -7.608
   69   2HB   GLU  11          2HB       GLU  11  44.262   5.523  -7.687
   70   1HG   GLU  11          1HG       GLU  11  43.764   6.047  -5.387
   71   2HG   GLU  11          2HG       GLU  11  45.307   6.882  -5.214
   72    H    ASP  12           H        ASP  12  46.000   4.879  -4.107
   73    HA   ASP  12           HA       ASP  12  48.434   6.301  -3.962
   74   1HB   ASP  12          1HB       ASP  12  46.290   5.396  -2.215
   75   2HB   ASP  12          2HB       ASP  12  47.847   5.356  -1.449
   76    H    ALA  13           H        ALA  13  47.729   2.983  -4.256
   77    HA   ALA  13           HA       ALA  13  50.126   2.113  -2.852
   78   1HB   ALA  13          1HB       ALA  13  49.388  -0.127  -3.277
   79   2HB   ALA  13          2HB       ALA  13  48.183   0.439  -4.435
   80   3HB   ALA  13          3HB       ALA  13  48.004   0.814  -2.721
   81    H    GLY  14           H        GLY  14  51.976   1.377  -3.810
   82   1HA   GLY  14          1HA       GLY  14  53.557   1.072  -5.458
   83   2HA   GLY  14          2HA       GLY  14  52.226   0.651  -6.522
   84    H    ASN  15           H        ASN  15  53.016   3.715  -4.892
   85    HA   ASN  15           HA       ASN  15  53.128   4.995  -7.524
   86   1HB   ASN  15          1HB       ASN  15  52.305   7.024  -6.306
   87   2HB   ASN  15          2HB       ASN  15  51.150   5.699  -6.378
   88   1HD2  ASN  15          1HD2      ASN  15  50.280   7.088  -4.596
   89   2HD2  ASN  15          2HD2      ASN  15  50.806   6.705  -2.991
   90    H    LYS  16           H        LYS  16  55.167   3.848  -5.493
   91    HA   LYS  16           HA       LYS  16  57.298   4.263  -4.919
   92   1HB   LYS  16          1HB       LYS  16  57.303   6.871  -6.363
   93   2HB   LYS  16          2HB       LYS  16  58.569   5.649  -6.254
   94   1HG   LYS  16          1HG       LYS  16  56.094   5.620  -7.952
   95   2HG   LYS  16          2HG       LYS  16  57.777   5.575  -8.458
   96   1HD   LYS  16          1HD       LYS  16  57.598   3.366  -6.855
   97   2HD   LYS  16          2HD       LYS  16  56.010   3.405  -7.625
   98   1HE   LYS  16          1HE       LYS  16  56.916   2.491  -9.435
   99   2HE   LYS  16          2HE       LYS  16  57.880   3.951  -9.651
  100   1HZ   LYS  16          1HZ       LYS  16  59.365   2.754  -7.859
  101   2HZ   LYS  16          2HZ       LYS  16  59.526   2.413  -9.507
  102   3HZ   LYS  16          3HZ       LYS  16  58.643   1.369  -8.511
  103    H    VAL  17           H        VAL  17  54.836   5.817  -3.697
  104    HA   VAL  17           HA       VAL  17  56.344   7.831  -2.197
  105    HB   VAL  17           HB       VAL  17  53.406   7.399  -1.806
  106   1HG1  VAL  17          1HG1      VAL  17  54.650  10.073  -2.057
  107   2HG1  VAL  17          2HG1      VAL  17  55.118   9.106  -0.659
  108   3HG1  VAL  17          3HG1      VAL  17  53.421   9.494  -0.933
  109   1HG2  VAL  17          1HG2      VAL  17  52.785   8.647  -3.699
  110   2HG2  VAL  17          2HG2      VAL  17  53.954   7.474  -4.302
  111   3HG2  VAL  17          3HG2      VAL  17  54.445   9.143  -4.023
  112    H    CYS  18           H        CYS  18  54.187   7.418  -0.010
  113    HA   CYS  18           HA       CYS  18  54.845   4.867   1.114
  114   1HB   CYS  18          1HB       CYS  18  56.845   6.149   1.702
  115   2HB   CYS  18          2HB       CYS  18  55.833   7.398   2.418
  116    H    SER  19           H        SER  19  52.844   4.323   1.561
  117    HA   SER  19           HA       SER  19  51.226   6.112   3.254
  118   1HB   SER  19          1HB       SER  19  50.471   4.473   0.868
  119   2HB   SER  19          2HB       SER  19  49.298   4.626   2.176
  120    HG   SER  19           HG       SER  19  50.583   6.864   1.015
  121    H    LEU  20           H        LEU  20  51.338   5.371   5.198
  122    HA   LEU  20           HA       LEU  20  51.932   2.699   5.921
  123   1HB   LEU  20          1HB       LEU  20  50.839   5.044   7.454
  124   2HB   LEU  20          2HB       LEU  20  51.337   3.536   8.212
  125    HG   LEU  20           HG       LEU  20  53.245   5.026   6.476
  126   1HD1  LEU  20          1HD1      LEU  20  54.049   6.161   8.589
  127   2HD1  LEU  20          2HD1      LEU  20  52.497   5.721   9.303
  128   3HD1  LEU  20          3HD1      LEU  20  52.550   6.780   7.895
  129   1HD2  LEU  20          1HD2      LEU  20  54.905   3.946   7.790
  130   2HD2  LEU  20          2HD2      LEU  20  53.701   2.725   7.373
  131   3HD2  LEU  20          3HD2      LEU  20  53.714   3.435   8.987
  132    H    GLN  21           H        GLN  21  48.968   4.621   5.992
  133    HA   GLN  21           HA       GLN  21  47.322   2.609   7.084
  134   1HB   GLN  21          1HB       GLN  21  45.495   4.020   6.638
  135   2HB   GLN  21          2HB       GLN  21  46.841   5.108   6.941
  136   1HG   GLN  21          1HG       GLN  21  45.839   4.319   4.214
  137   2HG   GLN  21          2HG       GLN  21  45.427   5.812   5.057
  138   1HE2  GLN  21          1HE2      GLN  21  46.738   5.486   2.510
  139   2HE2  GLN  21          2HE2      GLN  21  48.285   6.251   2.649
  140    H    CYS  22           H        CYS  22  48.859   2.646   4.128
  141    HA   CYS  22           HA       CYS  22  46.793   0.934   2.917
  142   1HB   CYS  22          1HB       CYS  22  48.820   2.797   1.706
  143   2HB   CYS  22          2HB       CYS  22  48.152   1.467   0.769
  144    H    ASN  23           H        ASN  23  49.960   1.178   4.171
  145    HA   ASN  23           HA       ASN  23  51.143  -1.000   2.829
  146   1HB   ASN  23          1HB       ASN  23  52.121   1.078   4.068
  147   2HB   ASN  23          2HB       ASN  23  51.991   0.044   5.483
  148   1HD2  ASN  23          1HD2      ASN  23  54.314   0.945   4.849
  149   2HD2  ASN  23          2HD2      ASN  23  55.327  -0.288   4.181
  150    H    ASN  24           H        ASN  24  48.816  -2.080   3.591
  151    HA   ASN  24           HA       ASN  24  49.555  -3.709   5.913
  152   1HB   ASN  24          1HB       ASN  24  46.880  -4.143   5.715
  153   2HB   ASN  24          2HB       ASN  24  47.641  -3.054   6.844
  154   1HD2  ASN  24          1HD2      ASN  24  48.181  -0.842   5.600
  155   2HD2  ASN  24          2HD2      ASN  24  46.796  -0.156   4.816
  156    H    HIS  25           H        HIS  25  48.083  -5.727   5.904
  157    HA   HIS  25           HA       HIS  25  48.957  -7.247   3.621
  158   1HB   HIS  25          1HB       HIS  25  49.251  -8.112   5.858
  159   2HB   HIS  25          2HB       HIS  25  47.524  -7.962   6.179
  160    HD1  HIS  25           HD1      HIS  25  47.585 -10.573   6.710
  161    HD2  HIS  25           HD2      HIS  25  48.395  -9.510   2.782
  162    HE1  HIS  25           HE1      HIS  25  47.356 -12.698   5.382
  163    HE2  HIS  25           HE2      HIS  25  47.766 -12.013   2.990
  164    H    ALA  26           H        ALA  26  46.020  -5.912   4.921
  165    HA   ALA  26           HA       ALA  26  44.338  -7.444   3.123
  166   1HB   ALA  26          1HB       ALA  26  43.644  -5.368   5.186
  167   2HB   ALA  26          2HB       ALA  26  43.557  -7.120   5.375
  168   3HB   ALA  26          3HB       ALA  26  42.479  -6.299   4.245
  169    H    CYS  27           H        CYS  27  45.986  -4.414   3.020
  170    HA   CYS  27           HA       CYS  27  44.050  -3.396   1.057
  171   1HB   CYS  27          1HB       CYS  27  46.124  -2.117   2.766
  172   2HB   CYS  27          2HB       CYS  27  45.784  -1.379   1.205
  173    H    GLY  28           H        GLY  28  47.270  -4.637   1.409
  174   1HA   GLY  28          1HA       GLY  28  48.023  -5.728  -0.735
  175   2HA   GLY  28          2HA       GLY  28  47.707  -4.167  -1.479
  176    H    TRP  29           H        TRP  29  48.860  -3.663   1.611
  177    HA   TRP  29           HA       TRP  29  50.804  -3.051   2.492
  178   1HB   TRP  29          1HB       TRP  29  51.910  -4.763   0.257
  179   2HB   TRP  29          2HB       TRP  29  52.920  -4.011   1.488
  180    HD1  TRP  29           HD1      TRP  29  51.396  -7.216   0.859
  181    HE1  TRP  29           HE1      TRP  29  51.045  -8.492   3.076
  182    HE3  TRP  29           HE3      TRP  29  51.961  -3.404   4.121
  183    HZ2  TRP  29           HZ2      TRP  29  51.023  -7.953   5.785
  184    HZ3  TRP  29           HZ3      TRP  29  51.716  -3.807   6.502
  185    HH2  TRP  29           HH2      TRP  29  51.269  -6.075   7.346
  186    H    ASP  30           H        ASP  30  49.472  -1.283   0.881
  187    HA   ASP  30           HA       ASP  30  49.654   0.622  -0.354
  188   1HB   ASP  30          1HB       ASP  30  50.783   1.323   1.680
  189   2HB   ASP  30          2HB       ASP  30  52.293   0.640   1.124
  190    H    GLY  31           H        GLY  31  50.709  -1.909  -1.588
  191   1HA   GLY  31          1HA       GLY  31  51.545  -2.441  -3.662
  192   2HA   GLY  31          2HA       GLY  31  51.712  -0.721  -3.973
  193    H    GLY  32           H        GLY  32  53.391  -0.911  -1.258
  194   1HA   GLY  32          1HA       GLY  32  55.583  -1.748  -0.767
  195   2HA   GLY  32          2HA       GLY  32  55.838  -1.970  -2.493
  196    H    ASP  33           H        ASP  33  54.381   0.913  -1.167
  197    HA   ASP  33           HA       ASP  33  56.550   2.488  -2.274
  198   1HB   ASP  33          1HB       ASP  33  54.206   3.727  -0.901
  199   2HB   ASP  33          2HB       ASP  33  55.099   4.269  -2.312
  200    H    CYS  34           H        CYS  34  54.955   1.918   0.847
  201    HA   CYS  34           HA       CYS  34  56.717   3.734   2.219
  202   1HB   CYS  34          1HB       CYS  34  54.467   1.972   2.949
  203   2HB   CYS  34          2HB       CYS  34  55.704   2.117   4.186
  204    H    SER  35           H        SER  35  56.192   0.219   2.481
  205    HA   SER  35           HA       SER  35  58.874  -0.531   2.191
  206   1HB   SER  35          1HB       SER  35  58.070   0.279   4.918
  207   2HB   SER  35          2HB       SER  35  58.929  -1.257   4.806
  208    HG   SER  35           HG       SER  35  59.794   1.309   3.994
  Start of MODEL    6
    1   1H    GLU   1          1H        GLU   1  39.380 -10.473   8.918
    2   2H    GLU   1          2H        GLU   1  38.787  -9.554  10.241
    3   3H    GLU   1          3H        GLU   1  40.406  -9.352   9.711
    4    HA   GLU   1           HA       GLU   1  38.112  -8.845   7.961
    5   1HB   GLU   1          1HB       GLU   1  38.288  -6.483   8.622
    6   2HB   GLU   1          2HB       GLU   1  37.836  -7.500   9.984
    7   1HG   GLU   1          1HG       GLU   1  40.375  -7.516  10.492
    8   2HG   GLU   1          2HG       GLU   1  40.417  -6.100   9.445
    9    H    GLU   2           H        GLU   2  39.133  -9.235   6.066
   10    HA   GLU   2           HA       GLU   2  41.578  -7.686   5.537
   11   1HB   GLU   2          1HB       GLU   2  41.905 -10.219   5.829
   12   2HB   GLU   2          2HB       GLU   2  41.065 -10.378   4.291
   13   1HG   GLU   2          1HG       GLU   2  42.785  -8.856   3.299
   14   2HG   GLU   2          2HG       GLU   2  43.668  -8.972   4.821
   15    H    ALA   3           H        ALA   3  39.954  -6.137   4.730
   16    HA   ALA   3           HA       ALA   3  39.387  -6.666   1.916
   17   1HB   ALA   3          1HB       ALA   3  37.346  -7.075   3.442
   18   2HB   ALA   3          2HB       ALA   3  37.140  -6.089   1.995
   19   3HB   ALA   3          3HB       ALA   3  37.295  -5.317   3.574
   20    H    CYS   4           H        CYS   4  41.190  -4.955   3.714
   21    HA   CYS   4           HA       CYS   4  42.176  -2.910   3.569
   22   1HB   CYS   4          1HB       CYS   4  42.085  -3.559   1.151
   23   2HB   CYS   4          2HB       CYS   4  40.596  -2.642   1.012
   24    H    GLU   5           H        GLU   5  41.790  -0.760   4.186
   25    HA   GLU   5           HA       GLU   5  38.961  -0.052   4.524
   26   1HB   GLU   5          1HB       GLU   5  39.499   1.016   6.626
   27   2HB   GLU   5          2HB       GLU   5  40.059  -0.650   6.662
   28   1HG   GLU   5          1HG       GLU   5  42.286   0.564   5.778
   29   2HG   GLU   5          2HG       GLU   5  41.584   1.867   6.736
   30    H    LEU   6           H        LEU   6  41.344   0.649   2.621
   31    HA   LEU   6           HA       LEU   6  40.690   3.506   2.530
   32   1HB   LEU   6          1HB       LEU   6  43.368   2.212   2.629
   33   2HB   LEU   6          2HB       LEU   6  43.172   3.655   1.654
   34    HG   LEU   6           HG       LEU   6  44.007   4.324   3.784
   35   1HD1  LEU   6          1HD1      LEU   6  42.018   5.566   2.692
   36   2HD1  LEU   6          2HD1      LEU   6  42.483   5.972   4.344
   37   3HD1  LEU   6          3HD1      LEU   6  41.092   4.928   4.051
   38   1HD2  LEU   6          1HD2      LEU   6  41.718   3.340   5.350
   39   2HD2  LEU   6          2HD2      LEU   6  43.424   3.463   5.779
   40   3HD2  LEU   6          3HD2      LEU   6  42.858   2.117   4.790
   41    HA   PRO   7           HA       PRO   7  39.777   1.969  -1.603
   42   1HB   PRO   7          1HB       PRO   7  38.524   4.595  -1.927
   43   2HB   PRO   7          2HB       PRO   7  37.786   2.995  -2.003
   44   1HG   PRO   7          1HG       PRO   7  37.319   4.726   0.026
   45   2HG   PRO   7          2HG       PRO   7  37.304   2.965   0.242
   46   1HD   PRO   7          1HD       PRO   7  39.442   4.943   0.934
   47   2HD   PRO   7          2HD       PRO   7  38.894   3.509   1.834
   48    H    GLU   8           H        GLU   8  41.620   4.533  -0.390
   49    HA   GLU   8           HA       GLU   8  42.312   5.741  -2.908
   50   1HB   GLU   8          1HB       GLU   8  43.836   7.093  -1.664
   51   2HB   GLU   8          2HB       GLU   8  42.367   6.940  -0.711
   52   1HG   GLU   8          1HG       GLU   8  43.786   4.881   0.278
   53   2HG   GLU   8          2HG       GLU   8  45.092   5.977  -0.166
   54    H    CYS   9           H        CYS   9  43.656   3.219  -0.854
   55    HA   CYS   9           HA       CYS   9  46.223   3.016  -1.781
   56   1HB   CYS   9          1HB       CYS   9  44.460   0.605  -1.345
   57   2HB   CYS   9          2HB       CYS   9  46.206   0.730  -1.125
   58    H    GLN  10           H        GLN  10  43.310   2.331  -3.538
   59    HA   GLN  10           HA       GLN  10  44.254   0.606  -5.502
   60   1HB   GLN  10          1HB       GLN  10  42.407   1.322  -6.853
   61   2HB   GLN  10          2HB       GLN  10  41.874   1.298  -5.178
   62   1HG   GLN  10          1HG       GLN  10  42.228   3.740  -5.070
   63   2HG   GLN  10          2HG       GLN  10  42.645   3.724  -6.783
   64   1HE2  GLN  10          1HE2      GLN  10  41.035   3.294  -8.309
   65   2HE2  GLN  10          2HE2      GLN  10  39.356   3.441  -7.926
   66    H    GLU  11           H        GLU  11  44.605   4.086  -5.176
   67    HA   GLU  11           HA       GLU  11  46.303   4.090  -7.589
   68   1HB   GLU  11          1HB       GLU  11  44.705   6.357  -6.380
   69   2HB   GLU  11          2HB       GLU  11  45.807   6.523  -7.740
   70   1HG   GLU  11          1HG       GLU  11  43.880   4.419  -8.191
   71   2HG   GLU  11          2HG       GLU  11  43.095   5.960  -7.843
   72    H    ASP  12           H        ASP  12  45.966   4.927  -4.246
   73    HA   ASP  12           HA       ASP  12  48.311   6.475  -3.985
   74   1HB   ASP  12          1HB       ASP  12  46.153   5.429  -2.338
   75   2HB   ASP  12          2HB       ASP  12  47.678   5.465  -1.509
   76    H    ALA  13           H        ALA  13  47.757   3.106  -4.260
   77    HA   ALA  13           HA       ALA  13  50.189   2.379  -2.834
   78   1HB   ALA  13          1HB       ALA  13  48.184   0.963  -2.630
   79   2HB   ALA  13          2HB       ALA  13  49.566   0.083  -3.286
   80   3HB   ALA  13          3HB       ALA  13  48.271   0.620  -4.357
   81    H    GLY  14           H        GLY  14  52.011   1.461  -3.800
   82   1HA   GLY  14          1HA       GLY  14  53.606   1.200  -5.440
   83   2HA   GLY  14          2HA       GLY  14  52.273   0.833  -6.523
   84    H    ASN  15           H        ASN  15  53.040   3.858  -4.818
   85    HA   ASN  15           HA       ASN  15  53.270   5.177  -7.423
   86   1HB   ASN  15          1HB       ASN  15  52.400   7.191  -6.228
   87   2HB   ASN  15          2HB       ASN  15  51.245   5.867  -6.335
   88   1HD2  ASN  15          1HD2      ASN  15  50.383   7.350  -4.580
   89   2HD2  ASN  15          2HD2      ASN  15  50.832   6.931  -2.961
   90    H    LYS  16           H        LYS  16  55.216   3.982  -5.342
   91    HA   LYS  16           HA       LYS  16  57.324   4.369  -4.673
   92   1HB   LYS  16          1HB       LYS  16  57.405   7.007  -6.059
   93   2HB   LYS  16          2HB       LYS  16  58.655   5.771  -5.932
   94   1HG   LYS  16          1HG       LYS  16  56.240   5.798  -7.715
   95   2HG   LYS  16          2HG       LYS  16  57.939   5.766  -8.166
   96   1HD   LYS  16          1HD       LYS  16  57.783   3.514  -6.681
   97   2HD   LYS  16          2HD       LYS  16  56.155   3.572  -7.361
   98   1HE   LYS  16          1HE       LYS  16  57.587   4.111  -9.567
   99   2HE   LYS  16          2HE       LYS  16  58.762   3.133  -8.688
  100   1HZ   LYS  16          1HZ       LYS  16  56.658   1.600  -8.391
  101   2HZ   LYS  16          2HZ       LYS  16  57.637   1.504  -9.768
  102   3HZ   LYS  16          3HZ       LYS  16  56.182   2.365  -9.824
  103    H    VAL  17           H        VAL  17  54.830   5.905  -3.504
  104    HA   VAL  17           HA       VAL  17  56.279   7.902  -1.931
  105    HB   VAL  17           HB       VAL  17  53.340   7.408  -1.615
  106   1HG1  VAL  17          1HG1      VAL  17  54.999   9.109  -0.375
  107   2HG1  VAL  17          2HG1      VAL  17  53.296   9.465  -0.665
  108   3HG1  VAL  17          3HG1      VAL  17  54.529  10.111  -1.747
  109   1HG2  VAL  17          1HG2      VAL  17  52.735   8.652  -3.495
  110   2HG2  VAL  17          2HG2      VAL  17  54.009   7.595  -4.101
  111   3HG2  VAL  17          3HG2      VAL  17  54.367   9.278  -3.724
  112    H    CYS  18           H        CYS  18  54.089   7.409   0.209
  113    HA   CYS  18           HA       CYS  18  54.727   4.852   1.301
  114   1HB   CYS  18          1HB       CYS  18  56.764   6.084   1.886
  115   2HB   CYS  18          2HB       CYS  18  55.787   7.335   2.643
  116    H    SER  19           H        SER  19  52.721   4.345   1.779
  117    HA   SER  19           HA       SER  19  51.201   6.121   3.570
  118   1HB   SER  19          1HB       SER  19  49.275   4.585   2.300
  119   2HB   SER  19          2HB       SER  19  49.659   6.264   1.920
  120    HG   SER  19           HG       SER  19  50.250   5.556   0.045
  121    H    LEU  20           H        LEU  20  51.296   5.249   5.455
  122    HA   LEU  20           HA       LEU  20  51.748   2.506   5.995
  123   1HB   LEU  20          1HB       LEU  20  50.772   4.788   7.698
  124   2HB   LEU  20          2HB       LEU  20  51.225   3.213   8.340
  125    HG   LEU  20           HG       LEU  20  53.156   4.784   6.694
  126   1HD1  LEU  20          1HD1      LEU  20  53.951   5.425   9.177
  127   2HD1  LEU  20          2HD1      LEU  20  52.204   5.422   9.412
  128   3HD1  LEU  20          3HD1      LEU  20  52.927   6.463   8.187
  129   1HD2  LEU  20          1HD2      LEU  20  53.681   2.992   9.047
  130   2HD2  LEU  20          2HD2      LEU  20  54.798   3.497   7.779
  131   3HD2  LEU  20          3HD2      LEU  20  53.497   2.366   7.409
  132    H    GLN  21           H        GLN  21  48.920   4.543   5.855
  133    HA   GLN  21           HA       GLN  21  47.104   2.653   6.957
  134   1HB   GLN  21          1HB       GLN  21  45.540   4.265   5.332
  135   2HB   GLN  21          2HB       GLN  21  45.877   4.517   7.035
  136   1HG   GLN  21          1HG       GLN  21  46.244   6.552   5.827
  137   2HG   GLN  21          2HG       GLN  21  47.786   5.944   6.424
  138   1HE2  GLN  21          1HE2      GLN  21  45.829   5.120   3.582
  139   2HE2  GLN  21          2HE2      GLN  21  47.073   5.444   2.419
  140    H    CYS  22           H        CYS  22  48.797   2.558   4.094
  141    HA   CYS  22           HA       CYS  22  46.733   0.875   2.842
  142   1HB   CYS  22          1HB       CYS  22  48.734   2.770   1.646
  143   2HB   CYS  22          2HB       CYS  22  48.125   1.414   0.705
  144    H    ASN  23           H        ASN  23  49.866   1.096   4.169
  145    HA   ASN  23           HA       ASN  23  51.079  -1.051   2.798
  146   1HB   ASN  23          1HB       ASN  23  52.026   1.016   4.085
  147   2HB   ASN  23          2HB       ASN  23  51.893  -0.049   5.479
  148   1HD2  ASN  23          1HD2      ASN  23  54.214   0.855   4.931
  149   2HD2  ASN  23          2HD2      ASN  23  55.242  -0.345   4.229
  150    H    ASN  24           H        ASN  24  48.728  -2.129   3.534
  151    HA   ASN  24           HA       ASN  24  49.457  -3.803   5.827
  152   1HB   ASN  24          1HB       ASN  24  46.781  -4.222   5.618
  153   2HB   ASN  24          2HB       ASN  24  47.544  -3.153   6.766
  154   1HD2  ASN  24          1HD2      ASN  24  48.086  -0.918   5.573
  155   2HD2  ASN  24          2HD2      ASN  24  46.708  -0.216   4.792
  156    H    HIS  25           H        HIS  25  47.978  -5.813   5.781
  157    HA   HIS  25           HA       HIS  25  48.844  -7.297   3.470
  158   1HB   HIS  25          1HB       HIS  25  49.133  -8.202   5.692
  159   2HB   HIS  25          2HB       HIS  25  47.407  -8.051   6.014
  160    HD1  HIS  25           HD1      HIS  25  47.456 -10.673   6.496
  161    HD2  HIS  25           HD2      HIS  25  48.271  -9.538   2.589
  162    HE1  HIS  25           HE1      HIS  25  47.217 -12.771   5.127
  163    HE2  HIS  25           HE2      HIS  25  47.616 -12.039   2.748
  164    H    ALA  26           H        ALA  26  45.921  -5.967   4.797
  165    HA   ALA  26           HA       ALA  26  44.218  -7.454   2.982
  166   1HB   ALA  26          1HB       ALA  26  43.440  -5.327   4.958
  167   2HB   ALA  26          2HB       ALA  26  43.571  -7.045   5.334
  168   3HB   ALA  26          3HB       ALA  26  42.379  -6.486   4.159
  169    H    CYS  27           H        CYS  27  45.927  -4.473   2.884
  170    HA   CYS  27           HA       CYS  27  43.985  -3.387   0.961
  171   1HB   CYS  27          1HB       CYS  27  46.080  -2.169   2.687
  172   2HB   CYS  27          2HB       CYS  27  45.755  -1.400   1.138
  173    H    GLY  28           H        GLY  28  47.212  -4.633   1.297
  174   1HA   GLY  28          1HA       GLY  28  47.948  -5.712  -0.867
  175   2HA   GLY  28          2HA       GLY  28  47.647  -4.137  -1.588
  176    H    TRP  29           H        TRP  29  48.796  -3.679   1.507
  177    HA   TRP  29           HA       TRP  29  50.739  -3.099   2.405
  178   1HB   TRP  29          1HB       TRP  29  51.844  -4.786   0.152
  179   2HB   TRP  29          2HB       TRP  29  52.853  -4.060   1.400
  180    HD1  TRP  29           HD1      TRP  29  51.312  -7.243   0.717
  181    HE1  TRP  29           HE1      TRP  29  50.937  -8.549   2.912
  182    HE3  TRP  29           HE3      TRP  29  51.876  -3.482   4.039
  183    HZ2  TRP  29           HZ2      TRP  29  50.900  -8.051   5.626
  184    HZ3  TRP  29           HZ3      TRP  29  51.613  -3.923   6.413
  185    HH2  TRP  29           HH2      TRP  29  51.146  -6.200   7.218
  186    H    ASP  30           H        ASP  30  49.426  -1.306   0.793
  187    HA   ASP  30           HA       ASP  30  49.630   0.616  -0.408
  188   1HB   ASP  30          1HB       ASP  30  50.742   1.251   1.670
  189   2HB   ASP  30          2HB       ASP  30  52.262   0.622   1.080
  190    H    GLY  31           H        GLY  31  50.708  -1.895  -1.667
  191   1HA   GLY  31          1HA       GLY  31  51.585  -2.397  -3.729
  192   2HA   GLY  31          2HA       GLY  31  51.740  -0.673  -4.018
  193    H    GLY  32           H        GLY  32  53.385  -0.903  -1.275
  194   1HA   GLY  32          1HA       GLY  32  55.580  -1.724  -0.776
  195   2HA   GLY  32          2HA       GLY  32  55.857  -1.907  -2.503
  196    H    ASP  33           H        ASP  33  54.358   0.924  -1.111
  197    HA   ASP  33           HA       ASP  33  56.504   2.560  -2.176
  198   1HB   ASP  33          1HB       ASP  33  54.093   3.656  -0.770
  199   2HB   ASP  33          2HB       ASP  33  55.027   4.346  -2.088
  200    H    CYS  34           H        CYS  34  54.912   1.891   0.925
  201    HA   CYS  34           HA       CYS  34  56.654   3.685   2.350
  202   1HB   CYS  34          1HB       CYS  34  54.413   1.893   3.024
  203   2HB   CYS  34          2HB       CYS  34  55.642   2.007   4.271
  204    H    SER  35           H        SER  35  56.151   0.163   2.540
  205    HA   SER  35           HA       SER  35  58.848  -0.550   2.243
  206   1HB   SER  35          1HB       SER  35  58.856   0.648   4.528
  207   2HB   SER  35          2HB       SER  35  58.004  -0.775   5.126
  208    HG   SER  35           HG       SER  35  59.830  -1.977   4.129
  Start of MODEL    7
    1   1H    GLU   1          1H        GLU   1  37.960  -9.493   7.978
    2   2H    GLU   1          2H        GLU   1  37.405  -8.342   6.833
    3   3H    GLU   1          3H        GLU   1  36.626  -8.486   8.355
    4    HA   GLU   1           HA       GLU   1  37.905  -6.628   8.571
    5   1HB   GLU   1          1HB       GLU   1  38.472  -8.987   9.992
    6   2HB   GLU   1          2HB       GLU   1  40.035  -8.247   9.674
    7   1HG   GLU   1          1HG       GLU   1  39.710  -6.803  11.311
    8   2HG   GLU   1          2HG       GLU   1  38.243  -6.215  10.530
    9    H    GLU   2           H        GLU   2  39.613  -9.170   6.855
   10    HA   GLU   2           HA       GLU   2  41.761  -7.335   6.123
   11   1HB   GLU   2          1HB       GLU   2  42.371  -9.609   6.809
   12   2HB   GLU   2          2HB       GLU   2  41.390 -10.272   5.510
   13   1HG   GLU   2          1HG       GLU   2  43.015  -8.611   4.125
   14   2HG   GLU   2          2HG       GLU   2  44.078  -9.101   5.444
   15    H    ALA   3           H        ALA   3  40.023  -6.068   4.950
   16    HA   ALA   3           HA       ALA   3  40.020  -6.909   2.154
   17   1HB   ALA   3          1HB       ALA   3  37.518  -5.668   3.158
   18   2HB   ALA   3          2HB       ALA   3  37.791  -7.377   3.501
   19   3HB   ALA   3          3HB       ALA   3  37.763  -6.805   1.832
   20    H    CYS   4           H        CYS   4  41.269  -4.828   4.014
   21    HA   CYS   4           HA       CYS   4  42.015  -2.689   3.810
   22   1HB   CYS   4          1HB       CYS   4  42.377  -3.580   1.480
   23   2HB   CYS   4          2HB       CYS   4  40.867  -2.814   1.027
   24    H    GLU   5           H        GLU   5  41.254  -0.684   4.347
   25    HA   GLU   5           HA       GLU   5  38.386  -0.201   3.940
   26   1HB   GLU   5          1HB       GLU   5  38.326   0.955   6.086
   27   2HB   GLU   5          2HB       GLU   5  38.887  -0.698   6.294
   28   1HG   GLU   5          1HG       GLU   5  41.251   0.383   6.106
   29   2HG   GLU   5          2HG       GLU   5  40.392   1.859   6.545
   30    H    LEU   6           H        LEU   6  41.022   0.640   2.573
   31    HA   LEU   6           HA       LEU   6  40.401   3.517   2.525
   32   1HB   LEU   6          1HB       LEU   6  42.994   2.084   2.667
   33   2HB   LEU   6          2HB       LEU   6  42.922   3.536   1.685
   34    HG   LEU   6           HG       LEU   6  41.758   4.422   3.975
   35   1HD1  LEU   6          1HD1      LEU   6  43.815   2.367   4.764
   36   2HD1  LEU   6          2HD1      LEU   6  42.107   2.389   5.202
   37   3HD1  LEU   6          3HD1      LEU   6  43.195   3.626   5.832
   38   1HD2  LEU   6          1HD2      LEU   6  43.378   5.788   3.120
   39   2HD2  LEU   6          2HD2      LEU   6  44.531   4.472   2.899
   40   3HD2  LEU   6          3HD2      LEU   6  44.241   5.131   4.510
   41    HA   PRO   7           HA       PRO   7  39.469   2.299  -1.702
   42   1HB   PRO   7          1HB       PRO   7  38.488   5.061  -1.872
   43   2HB   PRO   7          2HB       PRO   7  37.609   3.549  -2.111
   44   1HG   PRO   7          1HG       PRO   7  37.200   5.129   0.039
   45   2HG   PRO   7          2HG       PRO   7  37.052   3.364   0.114
   46   1HD   PRO   7          1HD       PRO   7  39.301   5.118   1.025
   47   2HD   PRO   7          2HD       PRO   7  38.619   3.665   1.792
   48    H    GLU   8           H        GLU   8  41.524   4.600  -0.312
   49    HA   GLU   8           HA       GLU   8  42.402   5.820  -2.779
   50   1HB   GLU   8          1HB       GLU   8  44.025   6.987  -1.413
   51   2HB   GLU   8          2HB       GLU   8  42.445   7.054  -0.644
   52   1HG   GLU   8          1HG       GLU   8  43.078   5.374   0.940
   53   2HG   GLU   8          2HG       GLU   8  44.603   5.096   0.102
   54    H    CYS   9           H        CYS   9  43.602   3.316  -0.573
   55    HA   CYS   9           HA       CYS   9  46.138   2.952  -1.583
   56   1HB   CYS   9          1HB       CYS   9  44.306   0.715  -0.710
   57   2HB   CYS   9          2HB       CYS   9  46.069   0.737  -0.668
   58    H    GLN  10           H        GLN  10  43.122   2.216  -3.105
   59    HA   GLN  10           HA       GLN  10  43.935   0.214  -4.886
   60   1HB   GLN  10          1HB       GLN  10  41.995   0.771  -6.186
   61   2HB   GLN  10          2HB       GLN  10  41.577   0.932  -4.486
   62   1HG   GLN  10          1HG       GLN  10  40.660   2.854  -5.220
   63   2HG   GLN  10          2HG       GLN  10  42.300   3.450  -4.968
   64   1HE2  GLN  10          1HE2      GLN  10  40.979   4.941  -6.598
   65   2HE2  GLN  10          2HE2      GLN  10  41.368   4.653  -8.257
   66    H    GLU  11           H        GLU  11  44.365   3.681  -4.932
   67    HA   GLU  11           HA       GLU  11  45.817   3.435  -7.490
   68   1HB   GLU  11          1HB       GLU  11  43.683   5.022  -7.109
   69   2HB   GLU  11          2HB       GLU  11  44.940   6.110  -6.535
   70   1HG   GLU  11          1HG       GLU  11  45.060   6.717  -8.682
   71   2HG   GLU  11          2HG       GLU  11  46.042   5.261  -8.847
   72    H    ASP  12           H        ASP  12  45.822   4.588  -4.219
   73    HA   ASP  12           HA       ASP  12  48.219   6.058  -4.300
   74   1HB   ASP  12          1HB       ASP  12  46.222   5.183  -2.371
   75   2HB   ASP  12          2HB       ASP  12  47.824   5.237  -1.708
   76    H    ALA  13           H        ALA  13  47.555   2.695  -4.254
   77    HA   ALA  13           HA       ALA  13  50.027   1.931  -2.969
   78   1HB   ALA  13          1HB       ALA  13  48.017   0.257  -4.473
   79   2HB   ALA  13          2HB       ALA  13  48.042   0.528  -2.730
   80   3HB   ALA  13          3HB       ALA  13  49.356  -0.358  -3.504
   81    H    GLY  14           H        GLY  14  51.919   1.395  -3.936
   82   1HA   GLY  14          1HA       GLY  14  53.467   1.039  -5.611
   83   2HA   GLY  14          2HA       GLY  14  52.130   0.634  -6.673
   84    H    ASN  15           H        ASN  15  52.819   3.688  -4.990
   85    HA   ASN  15           HA       ASN  15  52.937   5.014  -7.596
   86   1HB   ASN  15          1HB       ASN  15  52.144   7.025  -6.327
   87   2HB   ASN  15          2HB       ASN  15  50.979   5.708  -6.400
   88   1HD2  ASN  15          1HD2      ASN  15  50.219   7.175  -4.579
   89   2HD2  ASN  15          2HD2      ASN  15  50.741   6.723  -2.991
   90    H    LYS  16           H        LYS  16  54.973   3.826  -5.554
   91    HA   LYS  16           HA       LYS  16  57.113   4.207  -4.997
   92   1HB   LYS  16          1HB       LYS  16  57.157   6.799  -6.467
   93   2HB   LYS  16          2HB       LYS  16  58.400   5.553  -6.358
   94   1HG   LYS  16          1HG       LYS  16  55.907   5.555  -8.031
   95   2HG   LYS  16          2HG       LYS  16  57.584   5.487  -8.556
   96   1HD   LYS  16          1HD       LYS  16  57.567   3.279  -7.089
   97   2HD   LYS  16          2HD       LYS  16  55.845   3.342  -7.473
   98   1HE   LYS  16          1HE       LYS  16  56.498   2.198  -9.306
   99   2HE   LYS  16          2HE       LYS  16  56.878   3.810  -9.910
  100   1HZ   LYS  16          1HZ       LYS  16  59.074   3.425  -9.804
  101   2HZ   LYS  16          2HZ       LYS  16  58.620   1.796  -9.863
  102   3HZ   LYS  16          3HZ       LYS  16  58.976   2.522  -8.377
  103    H    VAL  17           H        VAL  17  54.698   5.793  -3.755
  104    HA   VAL  17           HA       VAL  17  56.229   7.837  -2.326
  105    HB   VAL  17           HB       VAL  17  53.314   7.361  -1.825
  106   1HG1  VAL  17          1HG1      VAL  17  54.463  10.059  -2.155
  107   2HG1  VAL  17          2HG1      VAL  17  55.060   9.124  -0.784
  108   3HG1  VAL  17          3HG1      VAL  17  53.334   9.445  -0.948
  109   1HG2  VAL  17          1HG2      VAL  17  54.198   9.138  -4.073
  110   2HG2  VAL  17          2HG2      VAL  17  52.589   8.510  -3.719
  111   3HG2  VAL  17          3HG2      VAL  17  53.833   7.437  -4.355
  112    H    CYS  18           H        CYS  18  54.162   7.422  -0.055
  113    HA   CYS  18           HA       CYS  18  54.833   4.898   1.078
  114   1HB   CYS  18          1HB       CYS  18  56.925   6.118   1.491
  115   2HB   CYS  18          2HB       CYS  18  56.013   7.390   2.296
  116    H    SER  19           H        SER  19  52.852   4.444   1.689
  117    HA   SER  19           HA       SER  19  51.499   6.266   3.560
  118   1HB   SER  19          1HB       SER  19  50.462   5.029   1.069
  119   2HB   SER  19          2HB       SER  19  49.390   4.960   2.466
  120    HG   SER  19           HG       SER  19  49.756   7.275   2.650
  121    H    LEU  20           H        LEU  20  51.670   5.353   5.425
  122    HA   LEU  20           HA       LEU  20  52.068   2.605   5.914
  123   1HB   LEU  20          1HB       LEU  20  51.157   4.870   7.674
  124   2HB   LEU  20          2HB       LEU  20  51.606   3.281   8.282
  125    HG   LEU  20           HG       LEU  20  53.517   4.856   6.616
  126   1HD1  LEU  20          1HD1      LEU  20  53.434   5.108   9.604
  127   2HD1  LEU  20          2HD1      LEU  20  52.583   6.241   8.552
  128   3HD1  LEU  20          3HD1      LEU  20  54.335   6.075   8.436
  129   1HD2  LEU  20          1HD2      LEU  20  55.016   3.618   8.422
  130   2HD2  LEU  20          2HD2      LEU  20  54.460   2.812   6.955
  131   3HD2  LEU  20          3HD2      LEU  20  53.614   2.551   8.480
  132    H    GLN  21           H        GLN  21  49.260   4.670   5.879
  133    HA   GLN  21           HA       GLN  21  47.442   2.814   7.013
  134   1HB   GLN  21          1HB       GLN  21  45.918   4.446   5.321
  135   2HB   GLN  21          2HB       GLN  21  46.166   4.638   7.045
  136   1HG   GLN  21          1HG       GLN  21  46.619   6.713   5.973
  137   2HG   GLN  21          2HG       GLN  21  48.143   6.049   6.557
  138   1HE2  GLN  21          1HE2      GLN  21  46.232   5.367   3.647
  139   2HE2  GLN  21          2HE2      GLN  21  47.494   5.750   2.521
  140    H    CYS  22           H        CYS  22  49.065   2.686   4.092
  141    HA   CYS  22           HA       CYS  22  46.962   0.989   2.922
  142   1HB   CYS  22          1HB       CYS  22  49.005   2.787   1.629
  143   2HB   CYS  22          2HB       CYS  22  48.239   1.480   0.736
  144    H    ASN  23           H        ASN  23  50.139   1.208   4.153
  145    HA   ASN  23           HA       ASN  23  51.289  -0.986   2.802
  146   1HB   ASN  23          1HB       ASN  23  52.296   1.104   4.001
  147   2HB   ASN  23          2HB       ASN  23  52.189   0.085   5.430
  148   1HD2  ASN  23          1HD2      ASN  23  54.505   0.956   4.775
  149   2HD2  ASN  23          2HD2      ASN  23  55.501  -0.282   4.091
  150    H    ASN  24           H        ASN  24  48.967  -2.040   3.623
  151    HA   ASN  24           HA       ASN  24  49.739  -3.645   5.951
  152   1HB   ASN  24          1HB       ASN  24  47.056  -4.059   5.809
  153   2HB   ASN  24          2HB       ASN  24  47.850  -2.965   6.911
  154   1HD2  ASN  24          1HD2      ASN  24  48.387  -0.773   5.641
  155   2HD2  ASN  24          2HD2      ASN  24  46.998  -0.078   4.873
  156    H    HIS  25           H        HIS  25  48.267  -5.653   6.008
  157    HA   HIS  25           HA       HIS  25  49.075  -7.214   3.728
  158   1HB   HIS  25          1HB       HIS  25  49.422  -8.043   5.971
  159   2HB   HIS  25          2HB       HIS  25  47.706  -7.883   6.333
  160    HD1  HIS  25           HD1      HIS  25  47.777 -10.488   6.902
  161    HD2  HIS  25           HD2      HIS  25  48.479  -9.484   2.937
  162    HE1  HIS  25           HE1      HIS  25  47.507 -12.632   5.612
  163    HE2  HIS  25           HE2      HIS  25  47.843 -11.981   3.200
  164    H    ALA  26           H        ALA  26  46.181  -5.842   5.078
  165    HA   ALA  26           HA       ALA  26  44.445  -7.403   3.359
  166   1HB   ALA  26          1HB       ALA  26  42.624  -6.190   4.499
  167   2HB   ALA  26          2HB       ALA  26  43.836  -5.291   5.412
  168   3HB   ALA  26          3HB       ALA  26  43.702  -7.040   5.606
  169    H    CYS  27           H        CYS  27  46.101  -4.380   3.146
  170    HA   CYS  27           HA       CYS  27  44.116  -3.410   1.209
  171   1HB   CYS  27          1HB       CYS  27  46.222  -2.083   2.839
  172   2HB   CYS  27          2HB       CYS  27  45.830  -1.378   1.276
  173    H    GLY  28           H        GLY  28  47.350  -4.629   1.514
  174   1HA   GLY  28          1HA       GLY  28  48.045  -5.758  -0.634
  175   2HA   GLY  28          2HA       GLY  28  47.723  -4.205  -1.390
  176    H    TRP  29           H        TRP  29  48.950  -3.646   1.659
  177    HA   TRP  29           HA       TRP  29  50.917  -3.039   2.482
  178   1HB   TRP  29          1HB       TRP  29  51.965  -4.796   0.254
  179   2HB   TRP  29          2HB       TRP  29  53.004  -4.030   1.451
  180    HD1  TRP  29           HD1      TRP  29  51.451  -7.235   0.905
  181    HE1  TRP  29           HE1      TRP  29  51.145  -8.477   3.145
  182    HE3  TRP  29           HE3      TRP  29  52.107  -3.379   4.099
  183    HZ2  TRP  29           HZ2      TRP  29  51.187  -7.902   5.846
  184    HZ3  TRP  29           HZ3      TRP  29  51.913  -3.752   6.491
  185    HH2  TRP  29           HH2      TRP  29  51.476  -6.005   7.374
  186    H    ASP  30           H        ASP  30  49.537  -1.328   0.832
  187    HA   ASP  30           HA       ASP  30  49.687   0.538  -0.457
  188   1HB   ASP  30          1HB       ASP  30  50.842   1.220   1.610
  189   2HB   ASP  30          2HB       ASP  30  52.367   0.692   0.933
  190    H    GLY  31           H        GLY  31  50.704  -1.965  -1.665
  191   1HA   GLY  31          1HA       GLY  31  51.585  -2.580  -3.687
  192   2HA   GLY  31          2HA       GLY  31  51.678  -0.873  -4.080
  193    H    GLY  32           H        GLY  32  53.409  -1.168  -1.295
  194   1HA   GLY  32          1HA       GLY  32  55.650  -1.820  -0.882
  195   2HA   GLY  32          2HA       GLY  32  55.871  -2.054  -2.613
  196    H    ASP  33           H        ASP  33  54.326   0.742  -1.237
  197    HA   ASP  33           HA       ASP  33  56.285   2.468  -2.481
  198   1HB   ASP  33          1HB       ASP  33  53.777   3.144  -0.940
  199   2HB   ASP  33          2HB       ASP  33  54.721   4.242  -1.931
  200    H    CYS  34           H        CYS  34  54.953   1.870   0.755
  201    HA   CYS  34           HA       CYS  34  56.803   3.701   1.989
  202   1HB   CYS  34          1HB       CYS  34  54.600   1.957   2.883
  203   2HB   CYS  34          2HB       CYS  34  55.915   2.101   4.036
  204    H    SER  35           H        SER  35  56.289   0.189   2.320
  205    HA   SER  35           HA       SER  35  57.711  -1.545   2.708
  206   1HB   SER  35          1HB       SER  35  59.339   0.348   1.101
  207   2HB   SER  35          2HB       SER  35  60.218  -0.926   1.946
  208    HG   SER  35           HG       SER  35  59.648  -2.082   0.284
  Start of MODEL    8
    1   1H    GLU   1          1H        GLU   1  38.975  -4.940   8.212
    2   2H    GLU   1          2H        GLU   1  40.131  -5.873   9.071
    3   3H    GLU   1          3H        GLU   1  38.480  -5.909   9.536
    4    HA   GLU   1           HA       GLU   1  38.762  -7.853   8.410
    5   1HB   GLU   1          1HB       GLU   1  37.821  -5.811   6.385
    6   2HB   GLU   1          2HB       GLU   1  37.446  -7.527   6.371
    7   1HG   GLU   1          1HG       GLU   1  36.075  -7.352   8.271
    8   2HG   GLU   1          2HG       GLU   1  36.691  -5.748   8.663
    9    H    GLU   2           H        GLU   2  39.451  -9.002   6.422
   10    HA   GLU   2           HA       GLU   2  42.094  -8.056   5.611
   11   1HB   GLU   2          1HB       GLU   2  41.284 -10.504   6.443
   12   2HB   GLU   2          2HB       GLU   2  41.148 -10.704   4.701
   13   1HG   GLU   2          1HG       GLU   2  43.416 -10.406   4.356
   14   2HG   GLU   2          2HG       GLU   2  43.643  -9.582   5.898
   15    H    ALA   3           H        ALA   3  40.082  -6.601   4.458
   16    HA   ALA   3           HA       ALA   3  40.392  -7.330   1.647
   17   1HB   ALA   3          1HB       ALA   3  38.173  -7.335   1.115
   18   2HB   ALA   3          2HB       ALA   3  37.741  -6.264   2.448
   19   3HB   ALA   3          3HB       ALA   3  38.077  -7.968   2.759
   20    H    CYS   4           H        CYS   4  41.371  -5.272   3.668
   21    HA   CYS   4           HA       CYS   4  42.013  -3.091   3.608
   22   1HB   CYS   4          1HB       CYS   4  42.581  -3.852   1.277
   23   2HB   CYS   4          2HB       CYS   4  41.066  -3.150   0.749
   24    H    GLU   5           H        GLU   5  41.106  -1.174   4.202
   25    HA   GLU   5           HA       GLU   5  38.257  -0.800   3.596
   26   1HB   GLU   5          1HB       GLU   5  37.960   0.204   5.787
   27   2HB   GLU   5          2HB       GLU   5  38.631  -1.411   5.960
   28   1HG   GLU   5          1HG       GLU   5  40.899   0.034   5.902
   29   2HG   GLU   5          2HG       GLU   5  39.796   1.209   6.618
   30    H    LEU   6           H        LEU   6  40.931   0.224   2.470
   31    HA   LEU   6           HA       LEU   6  40.229   3.083   2.577
   32   1HB   LEU   6          1HB       LEU   6  42.850   1.687   2.662
   33   2HB   LEU   6          2HB       LEU   6  42.763   3.225   1.823
   34    HG   LEU   6           HG       LEU   6  41.728   4.148   3.980
   35   1HD1  LEU   6          1HD1      LEU   6  41.169   2.146   5.126
   36   2HD1  LEU   6          2HD1      LEU   6  42.495   2.896   6.016
   37   3HD1  LEU   6          3HD1      LEU   6  42.809   1.517   4.962
   38   1HD2  LEU   6          1HD2      LEU   6  44.093   4.464   3.097
   39   2HD2  LEU   6          2HD2      LEU   6  44.572   3.220   4.252
   40   3HD2  LEU   6          3HD2      LEU   6  43.845   4.721   4.824
   41    HA   PRO   7           HA       PRO   7  39.444   2.152  -1.754
   42   1HB   PRO   7          1HB       PRO   7  38.422   4.906  -1.757
   43   2HB   PRO   7          2HB       PRO   7  37.577   3.402  -2.132
   44   1HG   PRO   7          1HG       PRO   7  37.074   4.818   0.110
   45   2HG   PRO   7          2HG       PRO   7  36.953   3.050   0.053
   46   1HD   PRO   7          1HD       PRO   7  39.142   4.767   1.161
   47   2HD   PRO   7          2HD       PRO   7  38.462   3.252   1.800
   48    H    GLU   8           H        GLU   8  41.382   4.415  -0.129
   49    HA   GLU   8           HA       GLU   8  42.337   5.817  -2.463
   50   1HB   GLU   8          1HB       GLU   8  44.004   6.773  -0.889
   51   2HB   GLU   8          2HB       GLU   8  42.341   6.983  -0.358
   52   1HG   GLU   8          1HG       GLU   8  42.560   5.239   1.255
   53   2HG   GLU   8          2HG       GLU   8  44.142   4.784   0.624
   54    H    CYS   9           H        CYS   9  43.508   3.173  -0.405
   55    HA   CYS   9           HA       CYS   9  46.074   2.927  -1.404
   56   1HB   CYS   9          1HB       CYS   9  44.284   0.620  -0.629
   57   2HB   CYS   9          2HB       CYS   9  46.048   0.671  -0.585
   58    H    GLN  10           H        GLN  10  43.074   2.199  -2.954
   59    HA   GLN  10           HA       GLN  10  43.946   0.299  -4.826
   60   1HB   GLN  10          1HB       GLN  10  41.634   2.085  -4.505
   61   2HB   GLN  10          2HB       GLN  10  42.013   1.696  -6.178
   62   1HG   GLN  10          1HG       GLN  10  41.948  -0.555  -4.262
   63   2HG   GLN  10          2HG       GLN  10  40.409   0.205  -4.666
   64   1HE2  GLN  10          1HE2      GLN  10  40.573   0.803  -7.239
   65   2HE2  GLN  10          2HE2      GLN  10  40.837  -0.604  -8.205
   66    H    GLU  11           H        GLU  11  44.275   3.775  -4.698
   67    HA   GLU  11           HA       GLU  11  45.653   3.705  -7.307
   68   1HB   GLU  11          1HB       GLU  11  43.864   5.730  -6.049
   69   2HB   GLU  11          2HB       GLU  11  45.194   6.318  -7.038
   70   1HG   GLU  11          1HG       GLU  11  43.958   4.254  -8.496
   71   2HG   GLU  11          2HG       GLU  11  42.667   5.262  -7.845
   72    H    ASP  12           H        ASP  12  45.734   4.686  -3.982
   73    HA   ASP  12           HA       ASP  12  48.092   6.218  -4.064
   74   1HB   ASP  12          1HB       ASP  12  46.171   5.209  -2.122
   75   2HB   ASP  12          2HB       ASP  12  47.790   5.273  -1.502
   76    H    ALA  13           H        ALA  13  47.427   2.803  -3.795
   77    HA   ALA  13           HA       ALA  13  49.971   2.059  -2.737
   78   1HB   ALA  13          1HB       ALA  13  49.329  -0.230  -3.386
   79   2HB   ALA  13          2HB       ALA  13  47.919   0.421  -4.223
   80   3HB   ALA  13          3HB       ALA  13  48.063   0.591  -2.473
   81    H    GLY  14           H        GLY  14  51.856   2.125  -3.764
   82   1HA   GLY  14          1HA       GLY  14  53.385   1.685  -5.471
   83   2HA   GLY  14          2HA       GLY  14  52.049   1.255  -6.525
   84    H    ASN  15           H        ASN  15  52.600   4.277  -4.751
   85    HA   ASN  15           HA       ASN  15  52.626   5.702  -7.307
   86   1HB   ASN  15          1HB       ASN  15  51.795   7.635  -5.966
   87   2HB   ASN  15          2HB       ASN  15  50.678   6.276  -6.003
   88   1HD2  ASN  15          1HD2      ASN  15  49.811   7.422  -4.118
   89   2HD2  ASN  15          2HD2      ASN  15  50.492   7.071  -2.565
   90    H    LYS  16           H        LYS  16  54.750   4.480  -5.410
   91    HA   LYS  16           HA       LYS  16  56.897   4.882  -4.910
   92   1HB   LYS  16          1HB       LYS  16  56.807   7.583  -6.168
   93   2HB   LYS  16          2HB       LYS  16  58.096   6.382  -6.193
   94   1HG   LYS  16          1HG       LYS  16  55.556   6.419  -7.790
   95   2HG   LYS  16          2HG       LYS  16  57.217   6.447  -8.363
   96   1HD   LYS  16          1HD       LYS  16  57.308   4.136  -7.060
   97   2HD   LYS  16          2HD       LYS  16  55.578   4.169  -7.411
   98   1HE   LYS  16          1HE       LYS  16  55.888   3.891  -9.635
   99   2HE   LYS  16          2HE       LYS  16  57.372   4.842  -9.656
  100   1HZ   LYS  16          1HZ       LYS  16  57.156   2.074  -8.604
  101   2HZ   LYS  16          2HZ       LYS  16  58.573   2.984  -8.753
  102   3HZ   LYS  16          3HZ       LYS  16  57.745   2.480 -10.138
  103    H    VAL  17           H        VAL  17  54.483   6.247  -3.461
  104    HA   VAL  17           HA       VAL  17  55.993   8.218  -1.908
  105    HB   VAL  17           HB       VAL  17  53.081   7.639  -1.458
  106   1HG1  VAL  17          1HG1      VAL  17  54.197  10.373  -1.446
  107   2HG1  VAL  17          2HG1      VAL  17  54.787   9.289  -0.186
  108   3HG1  VAL  17          3HG1      VAL  17  53.059   9.606  -0.338
  109   1HG2  VAL  17          1HG2      VAL  17  53.641   8.027  -3.951
  110   2HG2  VAL  17          2HG2      VAL  17  53.970   9.687  -3.460
  111   3HG2  VAL  17          3HG2      VAL  17  52.367   8.996  -3.212
  112    H    CYS  18           H        CYS  18  53.926   7.551   0.322
  113    HA   CYS  18           HA       CYS  18  54.691   4.989   1.288
  114   1HB   CYS  18          1HB       CYS  18  56.748   6.211   1.788
  115   2HB   CYS  18          2HB       CYS  18  55.814   7.453   2.610
  116    H    SER  19           H        SER  19  52.726   4.439   1.883
  117    HA   SER  19           HA       SER  19  51.318   6.124   3.843
  118   1HB   SER  19          1HB       SER  19  49.283   4.717   2.657
  119   2HB   SER  19          2HB       SER  19  49.721   6.375   2.244
  120    HG   SER  19           HG       SER  19  50.826   5.656   0.495
  121    H    LEU  20           H        LEU  20  51.527   5.150   5.669
  122    HA   LEU  20           HA       LEU  20  52.028   2.403   6.057
  123   1HB   LEU  20          1HB       LEU  20  51.037   4.566   7.900
  124   2HB   LEU  20          2HB       LEU  20  51.543   2.973   8.449
  125    HG   LEU  20           HG       LEU  20  53.397   4.670   6.841
  126   1HD1  LEU  20          1HD1      LEU  20  54.246   5.741   8.810
  127   2HD1  LEU  20          2HD1      LEU  20  53.121   4.848   9.836
  128   3HD1  LEU  20          3HD1      LEU  20  52.514   6.060   8.706
  129   1HD2  LEU  20          1HD2      LEU  20  55.019   3.252   7.552
  130   2HD2  LEU  20          2HD2      LEU  20  53.646   2.154   7.694
  131   3HD2  LEU  20          3HD2      LEU  20  54.257   2.991   9.121
  132    H    GLN  21           H        GLN  21  49.148   4.367   6.109
  133    HA   GLN  21           HA       GLN  21  47.400   2.399   7.162
  134   1HB   GLN  21          1HB       GLN  21  45.810   4.056   5.562
  135   2HB   GLN  21          2HB       GLN  21  46.072   4.183   7.291
  136   1HG   GLN  21          1HG       GLN  21  46.444   6.314   6.297
  137   2HG   GLN  21          2HG       GLN  21  47.993   5.680   6.845
  138   1HE2  GLN  21          1HE2      GLN  21  46.077   5.071   3.922
  139   2HE2  GLN  21          2HE2      GLN  21  47.321   5.531   2.805
  140    H    CYS  22           H        CYS  22  49.012   2.472   4.235
  141    HA   CYS  22           HA       CYS  22  46.967   0.762   2.985
  142   1HB   CYS  22          1HB       CYS  22  48.951   2.678   1.771
  143   2HB   CYS  22          2HB       CYS  22  48.201   1.401   0.822
  144    H    ASN  23           H        ASN  23  50.132   1.019   4.231
  145    HA   ASN  23           HA       ASN  23  51.357  -1.059   2.765
  146   1HB   ASN  23          1HB       ASN  23  52.298   0.994   4.067
  147   2HB   ASN  23          2HB       ASN  23  52.212  -0.092   5.449
  148   1HD2  ASN  23          1HD2      ASN  23  54.505   0.865   4.877
  149   2HD2  ASN  23          2HD2      ASN  23  55.546  -0.306   4.143
  150    H    ASN  24           H        ASN  24  49.067  -2.227   3.523
  151    HA   ASN  24           HA       ASN  24  49.883  -3.932   5.764
  152   1HB   ASN  24          1HB       ASN  24  47.214  -4.415   5.590
  153   2HB   ASN  24          2HB       ASN  24  47.973  -3.359   6.752
  154   1HD2  ASN  24          1HD2      ASN  24  48.448  -1.088   5.611
  155   2HD2  ASN  24          2HD2      ASN  24  47.043  -0.392   4.873
  156    H    HIS  25           H        HIS  25  48.472  -5.981   5.709
  157    HA   HIS  25           HA       HIS  25  49.328  -7.398   3.353
  158   1HB   HIS  25          1HB       HIS  25  49.695  -8.330   5.555
  159   2HB   HIS  25          2HB       HIS  25  47.973  -8.244   5.913
  160    HD1  HIS  25           HD1      HIS  25  48.140 -10.873   6.347
  161    HD2  HIS  25           HD2      HIS  25  48.799  -9.636   2.441
  162    HE1  HIS  25           HE1      HIS  25  47.940 -12.953   4.945
  163    HE2  HIS  25           HE2      HIS  25  48.248 -12.164   2.570
  164    H    ALA  26           H        ALA  26  46.396  -6.176   4.760
  165    HA   ALA  26           HA       ALA  26  44.705  -7.702   2.968
  166   1HB   ALA  26          1HB       ALA  26  42.854  -6.556   4.156
  167   2HB   ALA  26          2HB       ALA  26  44.062  -5.723   5.135
  168   3HB   ALA  26          3HB       ALA  26  43.928  -7.480   5.207
  169    H    CYS  27           H        CYS  27  46.269  -4.620   2.911
  170    HA   CYS  27           HA       CYS  27  44.264  -3.625   1.008
  171   1HB   CYS  27          1HB       CYS  27  46.325  -2.310   2.709
  172   2HB   CYS  27          2HB       CYS  27  45.901  -1.541   1.182
  173    H    GLY  28           H        GLY  28  47.535  -4.757   1.274
  174   1HA   GLY  28          1HA       GLY  28  48.272  -5.760  -0.921
  175   2HA   GLY  28          2HA       GLY  28  47.907  -4.182  -1.605
  176    H    TRP  29           H        TRP  29  49.105  -3.729   1.474
  177    HA   TRP  29           HA       TRP  29  51.050  -3.106   2.335
  178   1HB   TRP  29          1HB       TRP  29  52.160  -4.716   0.026
  179   2HB   TRP  29          2HB       TRP  29  53.169  -3.982   1.268
  180    HD1  TRP  29           HD1      TRP  29  51.714  -7.199   0.545
  181    HE1  TRP  29           HE1      TRP  29  51.437  -8.567   2.715
  182    HE3  TRP  29           HE3      TRP  29  52.243  -3.500   3.942
  183    HZ2  TRP  29           HZ2      TRP  29  51.454  -8.134   5.442
  184    HZ3  TRP  29           HZ3      TRP  29  52.052  -4.006   6.310
  185    HH2  TRP  29           HH2      TRP  29  51.681  -6.314   7.071
  186    H    ASP  30           H        ASP  30  49.622  -1.363   0.759
  187    HA   ASP  30           HA       ASP  30  49.717   0.557  -0.462
  188   1HB   ASP  30          1HB       ASP  30  50.814   1.172   1.670
  189   2HB   ASP  30          2HB       ASP  30  52.368   0.773   0.974
  190    H    GLY  31           H        GLY  31  50.825  -1.829  -1.771
  191   1HA   GLY  31          1HA       GLY  31  51.794  -2.335  -3.782
  192   2HA   GLY  31          2HA       GLY  31  51.799  -0.613  -4.114
  193    H    GLY  32           H        GLY  32  53.500  -1.150  -1.275
  194   1HA   GLY  32          1HA       GLY  32  55.766  -1.610  -0.861
  195   2HA   GLY  32          2HA       GLY  32  56.024  -1.772  -2.595
  196    H    ASP  33           H        ASP  33  54.331   0.882  -1.127
  197    HA   ASP  33           HA       ASP  33  56.194   2.764  -2.297
  198   1HB   ASP  33          1HB       ASP  33  53.497   2.928  -1.018
  199   2HB   ASP  33          2HB       ASP  33  54.461   4.382  -1.203
  200    H    CYS  34           H        CYS  34  54.906   1.975   0.914
  201    HA   CYS  34           HA       CYS  34  56.680   3.830   2.218
  202   1HB   CYS  34          1HB       CYS  34  54.540   1.974   3.038
  203   2HB   CYS  34          2HB       CYS  34  55.846   2.120   4.202
  204    H    SER  35           H        SER  35  56.297   0.293   2.390
  205    HA   SER  35           HA       SER  35  59.006  -0.315   1.947
  206   1HB   SER  35          1HB       SER  35  59.512   0.663   4.071
  207   2HB   SER  35          2HB       SER  35  58.159  -0.163   4.844
  208    HG   SER  35           HG       SER  35  60.344  -1.092   5.131
  Start of MODEL    9
    1   1H    GLU   1          1H        GLU   1  40.353  -7.873   9.821
    2   2H    GLU   1          2H        GLU   1  39.624  -9.215   9.037
    3   3H    GLU   1          3H        GLU   1  38.700  -8.232  10.098
    4    HA   GLU   1           HA       GLU   1  38.162  -7.737   7.860
    5   1HB   GLU   1          1HB       GLU   1  38.639  -5.316   7.960
    6   2HB   GLU   1          2HB       GLU   1  38.110  -5.950   9.512
    7   1HG   GLU   1          1HG       GLU   1  40.980  -6.054   9.278
    8   2HG   GLU   1          2HG       GLU   1  40.374  -4.422   8.994
    9    H    GLU   2           H        GLU   2  39.442  -9.139   6.476
   10    HA   GLU   2           HA       GLU   2  41.935  -7.965   5.484
   11   1HB   GLU   2          1HB       GLU   2  42.164 -10.154   4.271
   12   2HB   GLU   2          2HB       GLU   2  42.163 -10.279   6.025
   13   1HG   GLU   2          1HG       GLU   2  39.494 -10.517   4.952
   14   2HG   GLU   2          2HG       GLU   2  40.587 -11.702   4.240
   15    H    ALA   3           H        ALA   3  40.072  -6.342   4.691
   16    HA   ALA   3           HA       ALA   3  39.762  -6.926   1.849
   17   1HB   ALA   3          1HB       ALA   3  37.466  -6.210   1.791
   18   2HB   ALA   3          2HB       ALA   3  37.498  -5.849   3.518
   19   3HB   ALA   3          3HB       ALA   3  37.627  -7.519   2.963
   20    H    CYS   4           H        CYS   4  41.332  -5.108   3.750
   21    HA   CYS   4           HA       CYS   4  42.221  -3.013   3.648
   22   1HB   CYS   4          1HB       CYS   4  42.317  -3.690   1.234
   23   2HB   CYS   4          2HB       CYS   4  40.802  -2.841   0.990
   24    H    GLU   5           H        GLU   5  41.676  -0.909   4.256
   25    HA   GLU   5           HA       GLU   5  38.800  -0.329   4.354
   26   1HB   GLU   5          1HB       GLU   5  39.067   0.690   6.507
   27   2HB   GLU   5          2HB       GLU   5  39.795  -0.910   6.573
   28   1HG   GLU   5          1HG       GLU   5  41.983   0.410   5.976
   29   2HG   GLU   5          2HG       GLU   5  41.084   1.769   6.649
   30    H    LEU   6           H        LEU   6  41.275   0.489   2.641
   31    HA   LEU   6           HA       LEU   6  40.566   3.340   2.593
   32   1HB   LEU   6          1HB       LEU   6  43.260   2.059   2.652
   33   2HB   LEU   6          2HB       LEU   6  43.048   3.563   1.777
   34    HG   LEU   6           HG       LEU   6  43.857   4.131   3.929
   35   1HD1  LEU   6          1HD1      LEU   6  42.390   5.767   4.402
   36   2HD1  LEU   6          2HD1      LEU   6  41.034   4.651   4.554
   37   3HD1  LEU   6          3HD1      LEU   6  41.569   5.175   2.958
   38   1HD2  LEU   6          1HD2      LEU   6  42.347   1.851   4.757
   39   2HD2  LEU   6          2HD2      LEU   6  41.916   3.243   5.751
   40   3HD2  LEU   6          3HD2      LEU   6  43.600   2.736   5.626
   41    HA   PRO   7           HA       PRO   7  39.708   1.945  -1.603
   42   1HB   PRO   7          1HB       PRO   7  38.539   4.626  -1.848
   43   2HB   PRO   7          2HB       PRO   7  37.763   3.052  -2.036
   44   1HG   PRO   7          1HG       PRO   7  37.257   4.671   0.066
   45   2HG   PRO   7          2HG       PRO   7  37.221   2.903   0.193
   46   1HD   PRO   7          1HD       PRO   7  39.355   4.822   1.047
   47   2HD   PRO   7          2HD       PRO   7  38.767   3.350   1.857
   48    H    GLU   8           H        GLU   8  41.531   4.474  -0.264
   49    HA   GLU   8           HA       GLU   8  42.346   5.765  -2.683
   50   1HB   GLU   8          1HB       GLU   8  44.148   6.729  -1.223
   51   2HB   GLU   8          2HB       GLU   8  42.508   7.014  -0.660
   52   1HG   GLU   8          1HG       GLU   8  42.712   5.381   1.041
   53   2HG   GLU   8          2HG       GLU   8  44.222   4.771   0.367
   54    H    CYS   9           H        CYS   9  43.671   3.165  -0.680
   55    HA   CYS   9           HA       CYS   9  46.189   2.907  -1.743
   56   1HB   CYS   9          1HB       CYS   9  44.436   0.526  -1.148
   57   2HB   CYS   9          2HB       CYS   9  46.187   0.656  -0.998
   58    H    GLN  10           H        GLN  10  43.153   2.176  -3.264
   59    HA   GLN  10           HA       GLN  10  43.944   0.396  -5.244
   60   1HB   GLN  10          1HB       GLN  10  41.604   1.480  -4.629
   61   2HB   GLN  10          2HB       GLN  10  42.024   2.569  -5.943
   62   1HG   GLN  10          1HG       GLN  10  42.417   0.488  -7.342
   63   2HG   GLN  10          2HG       GLN  10  41.613  -0.399  -6.047
   64   1HE2  GLN  10          1HE2      GLN  10  41.123   0.926  -8.960
   65   2HE2  GLN  10          2HE2      GLN  10  39.439   1.297  -8.856
   66    H    GLU  11           H        GLU  11  44.364   3.874  -5.030
   67    HA   GLU  11           HA       GLU  11  45.836   3.804  -7.586
   68   1HB   GLU  11          1HB       GLU  11  44.008   5.826  -6.395
   69   2HB   GLU  11          2HB       GLU  11  45.398   6.429  -7.287
   70   1HG   GLU  11          1HG       GLU  11  44.408   4.520  -8.975
   71   2HG   GLU  11          2HG       GLU  11  42.945   5.184  -8.249
   72    H    ASP  12           H        ASP  12  45.822   4.713  -4.244
   73    HA   ASP  12           HA       ASP  12  48.202   6.227  -4.239
   74   1HB   ASP  12          1HB       ASP  12  46.190   5.260  -2.374
   75   2HB   ASP  12          2HB       ASP  12  47.785   5.287  -1.690
   76    H    ALA  13           H        ALA  13  47.466   2.816  -3.929
   77    HA   ALA  13           HA       ALA  13  49.984   2.067  -2.812
   78   1HB   ALA  13          1HB       ALA  13  49.322  -0.217  -3.305
   79   2HB   ALA  13          2HB       ALA  13  48.002   0.365  -4.319
   80   3HB   ALA  13          3HB       ALA  13  47.979   0.666  -2.582
   81    H    GLY  14           H        GLY  14  51.890   2.014  -3.805
   82   1HA   GLY  14          1HA       GLY  14  53.430   1.513  -5.478
   83   2HA   GLY  14          2HA       GLY  14  52.100   1.082  -6.540
   84    H    ASN  15           H        ASN  15  52.697   4.143  -4.847
   85    HA   ASN  15           HA       ASN  15  52.810   5.488  -7.444
   86   1HB   ASN  15          1HB       ASN  15  51.971   7.474  -6.193
   87   2HB   ASN  15          2HB       ASN  15  50.835   6.130  -6.209
   88   1HD2  ASN  15          1HD2      ASN  15  49.954   7.384  -4.390
   89   2HD2  ASN  15          2HD2      ASN  15  50.586   7.071  -2.809
   90    H    LYS  16           H        LYS  16  54.864   4.286  -5.469
   91    HA   LYS  16           HA       LYS  16  57.001   4.669  -4.918
   92   1HB   LYS  16          1HB       LYS  16  56.992   7.338  -6.246
   93   2HB   LYS  16          2HB       LYS  16  58.261   6.115  -6.204
   94   1HG   LYS  16          1HG       LYS  16  55.767   6.154  -7.874
   95   2HG   LYS  16          2HG       LYS  16  57.445   6.136  -8.398
   96   1HD   LYS  16          1HD       LYS  16  57.349   3.858  -6.938
   97   2HD   LYS  16          2HD       LYS  16  55.703   3.923  -7.573
   98   1HE   LYS  16          1HE       LYS  16  56.636   2.874  -9.340
   99   2HE   LYS  16          2HE       LYS  16  57.090   4.513  -9.803
  100   1HZ   LYS  16          1HZ       LYS  16  59.166   3.963  -8.336
  101   2HZ   LYS  16          2HZ       LYS  16  59.090   3.456  -9.948
  102   3HZ   LYS  16          3HZ       LYS  16  58.752   2.364  -8.702
  103    H    VAL  17           H        VAL  17  54.575   6.105  -3.565
  104    HA   VAL  17           HA       VAL  17  56.077   8.093  -2.026
  105    HB   VAL  17           HB       VAL  17  53.145   7.572  -1.639
  106   1HG1  VAL  17          1HG1      VAL  17  54.311  10.285  -1.650
  107   2HG1  VAL  17          2HG1      VAL  17  54.844   9.216  -0.353
  108   3HG1  VAL  17          3HG1      VAL  17  53.127   9.562  -0.561
  109   1HG2  VAL  17          1HG2      VAL  17  52.504   8.905  -3.439
  110   2HG2  VAL  17          2HG2      VAL  17  53.777   7.896  -4.122
  111   3HG2  VAL  17          3HG2      VAL  17  54.126   9.560  -3.658
  112    H    CYS  18           H        CYS  18  53.930   7.502   0.158
  113    HA   CYS  18           HA       CYS  18  54.658   4.962   1.216
  114   1HB   CYS  18          1HB       CYS  18  56.691   6.207   1.757
  115   2HB   CYS  18          2HB       CYS  18  55.723   7.464   2.516
  116    H    SER  19           H        SER  19  52.677   4.419   1.758
  117    HA   SER  19           HA       SER  19  51.175   6.164   3.591
  118   1HB   SER  19          1HB       SER  19  50.297   4.848   1.079
  119   2HB   SER  19          2HB       SER  19  49.182   4.733   2.441
  120    HG   SER  19           HG       SER  19  50.333   7.187   1.636
  121    H    LEU  20           H        LEU  20  51.326   5.284   5.469
  122    HA   LEU  20           HA       LEU  20  51.844   2.558   5.998
  123   1HB   LEU  20          1HB       LEU  20  50.803   4.800   7.714
  124   2HB   LEU  20          2HB       LEU  20  51.311   3.239   8.347
  125    HG   LEU  20           HG       LEU  20  53.186   4.858   6.689
  126   1HD1  LEU  20          1HD1      LEU  20  52.229   5.499   9.410
  127   2HD1  LEU  20          2HD1      LEU  20  52.878   6.555   8.155
  128   3HD1  LEU  20          3HD1      LEU  20  53.970   5.583   9.141
  129   1HD2  LEU  20          1HD2      LEU  20  54.273   2.925   7.118
  130   2HD2  LEU  20          2HD2      LEU  20  53.313   2.578   8.556
  131   3HD2  LEU  20          3HD2      LEU  20  54.647   3.729   8.643
  132    H    GLN  21           H        GLN  21  48.951   4.506   5.881
  133    HA   GLN  21           HA       GLN  21  47.202   2.556   6.983
  134   1HB   GLN  21          1HB       GLN  21  45.587   4.124   5.355
  135   2HB   GLN  21          2HB       GLN  21  45.898   4.363   7.064
  136   1HG   GLN  21          1HG       GLN  21  46.210   6.428   5.905
  137   2HG   GLN  21          2HG       GLN  21  47.772   5.856   6.485
  138   1HE2  GLN  21          1HE2      GLN  21  45.842   5.010   3.631
  139   2HE2  GLN  21          2HE2      GLN  21  47.069   5.406   2.473
  140    H    CYS  22           H        CYS  22  48.876   2.528   4.103
  141    HA   CYS  22           HA       CYS  22  46.857   0.779   2.864
  142   1HB   CYS  22          1HB       CYS  22  48.835   2.690   1.640
  143   2HB   CYS  22          2HB       CYS  22  48.175   1.348   0.712
  144    H    ASN  23           H        ASN  23  49.986   1.077   4.183
  145    HA   ASN  23           HA       ASN  23  51.251  -1.041   2.805
  146   1HB   ASN  23          1HB       ASN  23  52.158   1.048   4.075
  147   2HB   ASN  23          2HB       ASN  23  52.031   0.004   5.485
  148   1HD2  ASN  23          1HD2      ASN  23  54.340   0.952   4.932
  149   2HD2  ASN  23          2HD2      ASN  23  55.399  -0.245   4.270
  150    H    ASN  24           H        ASN  24  48.911  -2.158   3.566
  151    HA   ASN  24           HA       ASN  24  49.694  -3.825   5.849
  152   1HB   ASN  24          1HB       ASN  24  47.021  -4.282   5.670
  153   2HB   ASN  24          2HB       ASN  24  47.783  -3.204   6.810
  154   1HD2  ASN  24          1HD2      ASN  24  48.280  -0.963   5.615
  155   2HD2  ASN  24          2HD2      ASN  24  46.884  -0.278   4.851
  156    H    HIS  25           H        HIS  25  48.241  -5.853   5.823
  157    HA   HIS  25           HA       HIS  25  49.099  -7.334   3.506
  158   1HB   HIS  25          1HB       HIS  25  49.422  -8.226   5.731
  159   2HB   HIS  25          2HB       HIS  25  47.697  -8.100   6.067
  160    HD1  HIS  25           HD1      HIS  25  47.803 -10.722   6.556
  161    HD2  HIS  25           HD2      HIS  25  48.544  -9.581   2.638
  162    HE1  HIS  25           HE1      HIS  25  47.584 -12.827   5.196
  163    HE2  HIS  25           HE2      HIS  25  48.136 -12.131   2.837
  164    H    ALA  26           H        ALA  26  46.175  -6.031   4.858
  165    HA   ALA  26           HA       ALA  26  44.470  -7.550   3.072
  166   1HB   ALA  26          1HB       ALA  26  42.628  -6.517   4.244
  167   2HB   ALA  26          2HB       ALA  26  43.743  -5.445   5.092
  168   3HB   ALA  26          3HB       ALA  26  43.792  -7.183   5.389
  169    H    CYS  27           H        CYS  27  46.127  -4.533   2.957
  170    HA   CYS  27           HA       CYS  27  44.156  -3.499   1.036
  171   1HB   CYS  27          1HB       CYS  27  46.242  -2.228   2.740
  172   2HB   CYS  27          2HB       CYS  27  45.865  -1.467   1.198
  173    H    GLY  28           H        GLY  28  47.396  -4.709   1.348
  174   1HA   GLY  28          1HA       GLY  28  48.131  -5.771  -0.821
  175   2HA   GLY  28          2HA       GLY  28  47.803  -4.201  -1.540
  176    H    TRP  29           H        TRP  29  48.981  -3.712   1.537
  177    HA   TRP  29           HA       TRP  29  50.927  -3.106   2.408
  178   1HB   TRP  29          1HB       TRP  29  52.030  -4.793   0.154
  179   2HB   TRP  29          2HB       TRP  29  53.041  -4.048   1.389
  180    HD1  TRP  29           HD1      TRP  29  51.534  -7.252   0.730
  181    HE1  TRP  29           HE1      TRP  29  51.199  -8.558   2.931
  182    HE3  TRP  29           HE3      TRP  29  52.082  -3.476   4.038
  183    HZ2  TRP  29           HZ2      TRP  29  51.184  -8.055   5.645
  184    HZ3  TRP  29           HZ3      TRP  29  51.850  -3.914   6.416
  185    HH2  TRP  29           HH2      TRP  29  51.422  -6.196   7.229
  186    H    ASP  30           H        ASP  30  49.554  -1.375   0.763
  187    HA   ASP  30           HA       ASP  30  49.705   0.513  -0.500
  188   1HB   ASP  30          1HB       ASP  30  50.759   1.161   1.643
  189   2HB   ASP  30          2HB       ASP  30  52.324   0.720   0.994
  190    H    GLY  31           H        GLY  31  50.810  -1.918  -1.731
  191   1HA   GLY  31          1HA       GLY  31  51.824  -2.486  -3.703
  192   2HA   GLY  31          2HA       GLY  31  51.847  -0.772  -4.078
  193    H    GLY  32           H        GLY  32  53.484  -1.239  -1.191
  194   1HA   GLY  32          1HA       GLY  32  55.738  -1.699  -0.716
  195   2HA   GLY  32          2HA       GLY  32  56.032  -1.916  -2.440
  196    H    ASP  33           H        ASP  33  54.337   0.792  -1.066
  197    HA   ASP  33           HA       ASP  33  56.243   2.624  -2.256
  198   1HB   ASP  33          1HB       ASP  33  53.507   2.842  -1.076
  199   2HB   ASP  33          2HB       ASP  33  54.489   4.286  -1.245
  200    H    CYS  34           H        CYS  34  54.866   1.935   0.939
  201    HA   CYS  34           HA       CYS  34  56.601   3.827   2.240
  202   1HB   CYS  34          1HB       CYS  34  54.442   1.991   3.050
  203   2HB   CYS  34          2HB       CYS  34  55.714   2.176   4.247
  204    H    SER  35           H        SER  35  56.218   0.297   2.538
  205    HA   SER  35           HA       SER  35  58.927  -0.335   2.164
  206   1HB   SER  35          1HB       SER  35  59.696  -0.784   4.402
  207   2HB   SER  35          2HB       SER  35  59.125   0.884   4.354
  208    HG   SER  35           HG       SER  35  57.126   0.084   5.237
  Start of MODEL   10
    1   1H    GLU   1          1H        GLU   1  39.343  -9.347   9.248
    2   2H    GLU   1          2H        GLU   1  38.265 -10.098   8.143
    3   3H    GLU   1          3H        GLU   1  37.702  -9.589   9.683
    4    HA   GLU   1           HA       GLU   1  37.133  -8.171   7.724
    5   1HB   GLU   1          1HB       GLU   1  37.446  -7.684  10.364
    6   2HB   GLU   1          2HB       GLU   1  38.604  -6.533   9.710
    7   1HG   GLU   1          1HG       GLU   1  36.948  -5.366   8.536
    8   2HG   GLU   1          2HG       GLU   1  35.781  -6.675   8.712
    9    H    GLU   2           H        GLU   2  39.715  -9.369   6.985
   10    HA   GLU   2           HA       GLU   2  41.441  -7.104   6.416
   11   1HB   GLU   2          1HB       GLU   2  41.711 -10.011   5.625
   12   2HB   GLU   2          2HB       GLU   2  42.943  -8.773   5.426
   13   1HG   GLU   2          1HG       GLU   2  43.669  -9.743   7.347
   14   2HG   GLU   2          2HG       GLU   2  42.618  -8.496   8.018
   15    H    ALA   3           H        ALA   3  39.921  -5.949   5.077
   16    HA   ALA   3           HA       ALA   3  40.041  -6.845   2.301
   17   1HB   ALA   3          1HB       ALA   3  37.811  -7.471   3.304
   18   2HB   ALA   3          2HB       ALA   3  37.746  -6.459   1.861
   19   3HB   ALA   3          3HB       ALA   3  37.492  -5.743   3.454
   20    H    CYS   4           H        CYS   4  41.184  -4.711   4.179
   21    HA   CYS   4           HA       CYS   4  41.915  -2.567   3.976
   22   1HB   CYS   4          1HB       CYS   4  42.441  -3.500   1.703
   23   2HB   CYS   4          2HB       CYS   4  40.946  -2.788   1.130
   24    H    GLU   5           H        GLU   5  41.116  -0.552   4.400
   25    HA   GLU   5           HA       GLU   5  38.275  -0.100   3.815
   26   1HB   GLU   5          1HB       GLU   5  38.113   1.153   5.917
   27   2HB   GLU   5          2HB       GLU   5  38.603  -0.511   6.203
   28   1HG   GLU   5          1HG       GLU   5  41.016   0.620   6.039
   29   2HG   GLU   5          2HG       GLU   5  40.090   2.006   6.610
   30    H    LEU   6           H        LEU   6  41.005   0.709   2.605
   31    HA   LEU   6           HA       LEU   6  40.425   3.591   2.474
   32   1HB   LEU   6          1HB       LEU   6  42.980   2.075   2.602
   33   2HB   LEU   6          2HB       LEU   6  42.939   3.543   1.642
   34    HG   LEU   6           HG       LEU   6  41.991   4.662   3.767
   35   1HD1  LEU   6          1HD1      LEU   6  41.506   2.622   4.998
   36   2HD1  LEU   6          2HD1      LEU   6  42.687   3.608   5.861
   37   3HD1  LEU   6          3HD1      LEU   6  43.214   2.182   4.968
   38   1HD2  LEU   6          1HD2      LEU   6  44.830   3.723   4.000
   39   2HD2  LEU   6          2HD2      LEU   6  44.143   5.289   4.430
   40   3HD2  LEU   6          3HD2      LEU   6  44.325   4.841   2.734
   41    HA   PRO   7           HA       PRO   7  39.514   2.344  -1.748
   42   1HB   PRO   7          1HB       PRO   7  38.335   4.703  -2.418
   43   2HB   PRO   7          2HB       PRO   7  37.487   3.421  -1.547
   44   1HG   PRO   7          1HG       PRO   7  38.728   5.926  -0.498
   45   2HG   PRO   7          2HG       PRO   7  37.204   5.148  -0.032
   46   1HD   PRO   7          1HD       PRO   7  39.498   4.930   1.423
   47   2HD   PRO   7          2HD       PRO   7  38.253   3.667   1.386
   48    H    GLU   8           H        GLU   8  41.546   4.642  -0.349
   49    HA   GLU   8           HA       GLU   8  42.454   5.874  -2.799
   50   1HB   GLU   8          1HB       GLU   8  44.177   6.906  -1.333
   51   2HB   GLU   8          2HB       GLU   8  42.530   7.193  -0.788
   52   1HG   GLU   8          1HG       GLU   8  42.743   5.571   0.946
   53   2HG   GLU   8          2HG       GLU   8  44.300   5.029   0.320
   54    H    CYS   9           H        CYS   9  43.617   3.357  -0.579
   55    HA   CYS   9           HA       CYS   9  46.157   2.992  -1.610
   56   1HB   CYS   9          1HB       CYS   9  44.343   0.773  -0.656
   57   2HB   CYS   9          2HB       CYS   9  46.106   0.797  -0.644
   58    H    GLN  10           H        GLN  10  43.112   2.220  -3.049
   59    HA   GLN  10           HA       GLN  10  43.881   0.183  -4.807
   60   1HB   GLN  10          1HB       GLN  10  41.538   0.849  -4.404
   61   2HB   GLN  10          2HB       GLN  10  41.830   2.359  -5.258
   62   1HG   GLN  10          1HG       GLN  10  42.079   1.269  -7.322
   63   2HG   GLN  10          2HG       GLN  10  42.241  -0.312  -6.558
   64   1HE2  GLN  10          1HE2      GLN  10  39.997   2.316  -7.203
   65   2HE2  GLN  10          2HE2      GLN  10  38.563   1.355  -7.139
   66    H    GLU  11           H        GLU  11  44.342   3.648  -4.929
   67    HA   GLU  11           HA       GLU  11  45.719   3.334  -7.521
   68   1HB   GLU  11          1HB       GLU  11  43.975   5.487  -6.438
   69   2HB   GLU  11          2HB       GLU  11  45.343   5.984  -7.423
   70   1HG   GLU  11          1HG       GLU  11  44.488   5.070  -9.327
   71   2HG   GLU  11          2HG       GLU  11  43.591   3.825  -8.459
   72    H    ASP  12           H        ASP  12  45.831   4.548  -4.275
   73    HA   ASP  12           HA       ASP  12  48.240   5.995  -4.467
   74   1HB   ASP  12          1HB       ASP  12  46.280   5.211  -2.461
   75   2HB   ASP  12          2HB       ASP  12  47.898   5.266  -1.839
   76    H    ALA  13           H        ALA  13  47.455   2.636  -3.929
   77    HA   ALA  13           HA       ALA  13  50.015   1.926  -2.847
   78   1HB   ALA  13          1HB       ALA  13  47.898   0.149  -4.054
   79   2HB   ALA  13          2HB       ALA  13  47.994   0.618  -2.357
   80   3HB   ALA  13          3HB       ALA  13  49.266  -0.373  -3.070
   81    H    GLY  14           H        GLY  14  51.849   1.633  -3.929
   82   1HA   GLY  14          1HA       GLY  14  53.257   0.925  -5.641
   83   2HA   GLY  14          2HA       GLY  14  51.843   0.487  -6.587
   84    H    ASN  15           H        ASN  15  52.654   3.642  -5.188
   85    HA   ASN  15           HA       ASN  15  52.707   4.759  -7.892
   86   1HB   ASN  15          1HB       ASN  15  52.005   6.877  -6.784
   87   2HB   ASN  15          2HB       ASN  15  50.816   5.588  -6.642
   88   1HD2  ASN  15          1HD2      ASN  15  50.070   7.044  -4.908
   89   2HD2  ASN  15          2HD2      ASN  15  50.751   6.831  -3.330
   90    H    LYS  16           H        LYS  16  54.800   3.640  -5.910
   91    HA   LYS  16           HA       LYS  16  56.973   3.977  -5.482
   92   1HB   LYS  16          1HB       LYS  16  57.005   6.523  -7.034
   93   2HB   LYS  16          2HB       LYS  16  58.226   5.253  -6.944
   94   1HG   LYS  16          1HG       LYS  16  55.656   5.259  -8.495
   95   2HG   LYS  16          2HG       LYS  16  57.303   5.133  -9.094
   96   1HD   LYS  16          1HD       LYS  16  57.208   2.987  -7.454
   97   2HD   LYS  16          2HD       LYS  16  55.530   3.065  -7.997
   98   1HE   LYS  16          1HE       LYS  16  56.653   1.661  -9.533
   99   2HE   LYS  16          2HE       LYS  16  56.435   3.207 -10.352
  100   1HZ   LYS  16          1HZ       LYS  16  58.637   3.603 -10.382
  101   2HZ   LYS  16          2HZ       LYS  16  58.750   1.920 -10.259
  102   3HZ   LYS  16          3HZ       LYS  16  58.919   2.880  -8.878
  103    H    VAL  17           H        VAL  17  54.673   5.613  -4.149
  104    HA   VAL  17           HA       VAL  17  56.314   7.667  -2.858
  105    HB   VAL  17           HB       VAL  17  53.384   7.295  -2.307
  106   1HG1  VAL  17          1HG1      VAL  17  55.198   8.975  -1.236
  107   2HG1  VAL  17          2HG1      VAL  17  53.485   9.363  -1.396
  108   3HG1  VAL  17          3HG1      VAL  17  54.639   9.953  -2.593
  109   1HG2  VAL  17          1HG2      VAL  17  53.917   7.387  -4.830
  110   2HG2  VAL  17          2HG2      VAL  17  54.354   9.066  -4.526
  111   3HG2  VAL  17          3HG2      VAL  17  52.718   8.506  -4.185
  112    H    CYS  18           H        CYS  18  54.251   7.354  -0.541
  113    HA   CYS  18           HA       CYS  18  54.921   4.887   0.704
  114   1HB   CYS  18          1HB       CYS  18  57.035   6.068   1.038
  115   2HB   CYS  18          2HB       CYS  18  56.167   7.434   1.725
  116    H    SER  19           H        SER  19  52.949   4.493   1.384
  117    HA   SER  19           HA       SER  19  51.651   6.436   3.170
  118   1HB   SER  19          1HB       SER  19  49.725   4.718   1.840
  119   2HB   SER  19          2HB       SER  19  49.767   6.478   1.935
  120    HG   SER  19           HG       SER  19  51.252   4.891   0.107
  121    H    LEU  20           H        LEU  20  51.834   5.620   5.082
  122    HA   LEU  20           HA       LEU  20  52.239   2.923   5.737
  123   1HB   LEU  20          1HB       LEU  20  51.276   5.281   7.336
  124   2HB   LEU  20          2HB       LEU  20  51.678   3.729   8.059
  125    HG   LEU  20           HG       LEU  20  53.670   5.178   6.373
  126   1HD1  LEU  20          1HD1      LEU  20  54.553   6.183   8.486
  127   2HD1  LEU  20          2HD1      LEU  20  53.044   5.713   9.268
  128   3HD1  LEU  20          3HD1      LEU  20  53.023   6.862   7.930
  129   1HD2  LEU  20          1HD2      LEU  20  55.243   3.836   7.403
  130   2HD2  LEU  20          2HD2      LEU  20  53.855   2.753   7.291
  131   3HD2  LEU  20          3HD2      LEU  20  54.228   3.553   8.817
  132    H    GLN  21           H        GLN  21  49.381   4.972   5.924
  133    HA   GLN  21           HA       GLN  21  47.614   3.108   7.012
  134   1HB   GLN  21          1HB       GLN  21  45.983   4.608   5.358
  135   2HB   GLN  21          2HB       GLN  21  46.392   4.978   7.022
  136   1HG   GLN  21          1HG       GLN  21  46.664   6.896   5.531
  137   2HG   GLN  21          2HG       GLN  21  48.174   6.432   6.308
  138   1HE2  GLN  21          1HE2      GLN  21  46.382   5.438   3.403
  139   2HE2  GLN  21          2HE2      GLN  21  47.732   5.565   2.323
  140    H    CYS  22           H        CYS  22  49.155   2.924   4.021
  141    HA   CYS  22           HA       CYS  22  47.048   1.153   2.981
  142   1HB   CYS  22          1HB       CYS  22  49.084   2.871   1.575
  143   2HB   CYS  22          2HB       CYS  22  48.290   1.531   0.758
  144    H    ASN  23           H        ASN  23  50.243   1.414   4.153
  145    HA   ASN  23           HA       ASN  23  51.360  -0.851   2.893
  146   1HB   ASN  23          1HB       ASN  23  52.414   1.281   3.943
  147   2HB   ASN  23          2HB       ASN  23  52.295   0.374   5.444
  148   1HD2  ASN  23          1HD2      ASN  23  54.622   1.168   4.701
  149   2HD2  ASN  23          2HD2      ASN  23  55.600  -0.138   4.121
  150    H    ASN  24           H        ASN  24  49.055  -1.853   3.788
  151    HA   ASN  24           HA       ASN  24  49.833  -3.340   6.193
  152   1HB   ASN  24          1HB       ASN  24  47.148  -3.748   6.084
  153   2HB   ASN  24          2HB       ASN  24  47.951  -2.600   7.123
  154   1HD2  ASN  24          1HD2      ASN  24  48.489  -0.480   5.747
  155   2HD2  ASN  24          2HD2      ASN  24  47.102   0.178   4.944
  156    H    HIS  25           H        HIS  25  48.354  -5.333   6.362
  157    HA   HIS  25           HA       HIS  25  49.135  -7.019   4.161
  158   1HB   HIS  25          1HB       HIS  25  49.501  -7.727   6.444
  159   2HB   HIS  25          2HB       HIS  25  47.788  -7.543   6.810
  160    HD1  HIS  25           HD1      HIS  25  47.875 -10.116   7.519
  161    HD2  HIS  25           HD2      HIS  25  48.514  -9.323   3.497
  162    HE1  HIS  25           HE1      HIS  25  47.587 -12.324   6.350
  163    HE2  HIS  25           HE2      HIS  25  47.879 -11.801   3.901
  164    H    ALA  26           H        ALA  26  46.264  -5.559   5.463
  165    HA   ALA  26           HA       ALA  26  44.499  -7.211   3.864
  166   1HB   ALA  26          1HB       ALA  26  43.419  -6.869   5.808
  167   2HB   ALA  26          2HB       ALA  26  42.830  -5.442   4.952
  168   3HB   ALA  26          3HB       ALA  26  44.175  -5.300   6.085
  169    H    CYS  27           H        CYS  27  46.169  -4.220   3.430
  170    HA   CYS  27           HA       CYS  27  44.156  -3.380   1.459
  171   1HB   CYS  27          1HB       CYS  27  46.262  -1.927   2.987
  172   2HB   CYS  27          2HB       CYS  27  45.809  -1.313   1.401
  173    H    GLY  28           H        GLY  28  47.402  -4.549   1.823
  174   1HA   GLY  28          1HA       GLY  28  48.089  -5.787  -0.271
  175   2HA   GLY  28          2HA       GLY  28  47.766  -4.273  -1.101
  176    H    TRP  29           H        TRP  29  49.007  -3.562   1.911
  177    HA   TRP  29           HA       TRP  29  50.981  -2.922   2.692
  178   1HB   TRP  29          1HB       TRP  29  52.007  -4.794   0.550
  179   2HB   TRP  29          2HB       TRP  29  53.058  -3.972   1.697
  180    HD1  TRP  29           HD1      TRP  29  51.493  -7.194   1.326
  181    HE1  TRP  29           HE1      TRP  29  51.200  -8.320   3.630
  182    HE3  TRP  29           HE3      TRP  29  52.181  -3.183   4.316
  183    HZ2  TRP  29           HZ2      TRP  29  51.264  -7.610   6.296
  184    HZ3  TRP  29           HZ3      TRP  29  52.004  -3.434   6.726
  185    HH2  TRP  29           HH2      TRP  29  51.568  -5.639   7.725
  186    H    ASP  30           H        ASP  30  49.604  -1.278   0.978
  187    HA   ASP  30           HA       ASP  30  49.756   0.510  -0.422
  188   1HB   ASP  30          1HB       ASP  30  50.903   1.300   1.610
  189   2HB   ASP  30          2HB       ASP  30  52.429   0.730   0.973
  190    H    GLY  31           H        GLY  31  50.722  -2.035  -1.513
  191   1HA   GLY  31          1HA       GLY  31  51.629  -2.783  -3.475
  192   2HA   GLY  31          2HA       GLY  31  51.701  -1.104  -3.979
  193    H    GLY  32           H        GLY  32  53.436  -1.452  -1.125
  194   1HA   GLY  32          1HA       GLY  32  55.688  -1.950  -0.704
  195   2HA   GLY  32          2HA       GLY  32  55.903  -2.315  -2.413
  196    H    ASP  33           H        ASP  33  54.355   0.557  -1.225
  197    HA   ASP  33           HA       ASP  33  56.278   2.212  -2.623
  198   1HB   ASP  33          1HB       ASP  33  53.606   2.628  -1.354
  199   2HB   ASP  33          2HB       ASP  33  54.628   4.015  -1.684
  200    H    CYS  34           H        CYS  34  55.009   1.844   0.671
  201    HA   CYS  34           HA       CYS  34  56.877   3.756   1.738
  202   1HB   CYS  34          1HB       CYS  34  54.677   2.095   2.785
  203   2HB   CYS  34          2HB       CYS  34  56.007   2.317   3.912
  204    H    SER  35           H        SER  35  56.358   0.279   2.328
  205    HA   SER  35           HA       SER  35  59.015  -0.510   1.903
  206   1HB   SER  35          1HB       SER  35  58.382   0.468   4.631
  207   2HB   SER  35          2HB       SER  35  59.280  -1.046   4.534
  208    HG   SER  35           HG       SER  35  60.043   1.263   3.091
  Start of MODEL   11
    1   1H    GLU   1          1H        GLU   1  37.947  -5.588   7.549
    2   2H    GLU   1          2H        GLU   1  38.948  -5.735   8.935
    3   3H    GLU   1          3H        GLU   1  37.322  -6.284   8.986
    4    HA   GLU   1           HA       GLU   1  38.911  -8.075   8.793
    5   1HB   GLU   1          1HB       GLU   1  37.715  -9.195   6.982
    6   2HB   GLU   1          2HB       GLU   1  36.601  -8.243   7.954
    7   1HG   GLU   1          1HG       GLU   1  37.784  -7.030   5.507
    8   2HG   GLU   1          2HG       GLU   1  36.484  -8.209   5.343
    9    H    GLU   2           H        GLU   2  39.762  -9.370   6.669
   10    HA   GLU   2           HA       GLU   2  42.028  -7.805   5.790
   11   1HB   GLU   2          1HB       GLU   2  41.281 -10.678   5.792
   12   2HB   GLU   2          2HB       GLU   2  42.387 -10.151   4.531
   13   1HG   GLU   2          1HG       GLU   2  43.521 -11.024   6.538
   14   2HG   GLU   2          2HG       GLU   2  43.958  -9.360   6.153
   15    H    ALA   3           H        ALA   3  40.147  -6.470   4.669
   16    HA   ALA   3           HA       ALA   3  40.273  -7.207   1.845
   17   1HB   ALA   3          1HB       ALA   3  38.129  -7.921   2.034
   18   2HB   ALA   3          2HB       ALA   3  37.797  -6.198   1.854
   19   3HB   ALA   3          3HB       ALA   3  37.812  -6.930   3.458
   20    H    CYS   4           H        CYS   4  41.373  -5.151   3.831
   21    HA   CYS   4           HA       CYS   4  42.044  -2.981   3.742
   22   1HB   CYS   4          1HB       CYS   4  42.560  -3.759   1.410
   23   2HB   CYS   4          2HB       CYS   4  41.035  -3.060   0.903
   24    H    GLU   5           H        GLU   5  41.188  -1.024   4.308
   25    HA   GLU   5           HA       GLU   5  38.324  -0.634   3.788
   26   1HB   GLU   5          1HB       GLU   5  38.110   0.425   5.964
   27   2HB   GLU   5          2HB       GLU   5  38.765  -1.196   6.149
   28   1HG   GLU   5          1HG       GLU   5  41.033   0.300   5.951
   29   2HG   GLU   5          2HG       GLU   5  39.944   1.400   6.793
   30    H    LEU   6           H        LEU   6  40.974   0.348   2.558
   31    HA   LEU   6           HA       LEU   6  40.260   3.206   2.598
   32   1HB   LEU   6          1HB       LEU   6  42.906   1.846   2.692
   33   2HB   LEU   6          2HB       LEU   6  42.781   3.375   1.845
   34    HG   LEU   6           HG       LEU   6  41.779   4.324   3.983
   35   1HD1  LEU   6          1HD1      LEU   6  42.437   1.572   4.839
   36   2HD1  LEU   6          2HD1      LEU   6  41.171   2.666   5.397
   37   3HD1  LEU   6          3HD1      LEU   6  42.828   2.873   5.963
   38   1HD2  LEU   6          1HD2      LEU   6  44.627   3.332   4.020
   39   2HD2  LEU   6          2HD2      LEU   6  43.978   4.635   5.014
   40   3HD2  LEU   6          3HD2      LEU   6  44.050   4.815   3.262
   41    HA   PRO   7           HA       PRO   7  39.478   2.129  -1.698
   42   1HB   PRO   7          1HB       PRO   7  38.410   4.863  -1.783
   43   2HB   PRO   7          2HB       PRO   7  37.588   3.335  -2.109
   44   1HG   PRO   7          1HG       PRO   7  37.067   4.810   0.091
   45   2HG   PRO   7          2HG       PRO   7  36.980   3.039   0.090
   46   1HD   PRO   7          1HD       PRO   7  39.141   4.828   1.131
   47   2HD   PRO   7          2HD       PRO   7  38.489   3.326   1.824
   48    H    GLU   8           H        GLU   8  41.378   4.480  -0.152
   49    HA   GLU   8           HA       GLU   8  42.296   5.819  -2.531
   50   1HB   GLU   8          1HB       GLU   8  44.010   6.802  -0.981
   51   2HB   GLU   8          2HB       GLU   8  42.339   7.097  -0.523
   52   1HG   GLU   8          1HG       GLU   8  43.599   4.713   0.660
   53   2HG   GLU   8          2HG       GLU   8  44.238   6.271   1.178
   54    H    CYS   9           H        CYS   9  43.515   3.229  -0.437
   55    HA   CYS   9           HA       CYS   9  46.077   2.996  -1.448
   56   1HB   CYS   9          1HB       CYS   9  44.306   0.686  -0.636
   57   2HB   CYS   9          2HB       CYS   9  46.068   0.742  -0.613
   58    H    GLN  10           H        GLN  10  43.072   2.221  -2.971
   59    HA   GLN  10           HA       GLN  10  43.930   0.309  -4.830
   60   1HB   GLN  10          1HB       GLN  10  41.795   2.428  -5.134
   61   2HB   GLN  10          2HB       GLN  10  41.986   1.024  -6.176
   62   1HG   GLN  10          1HG       GLN  10  41.673  -0.395  -4.117
   63   2HG   GLN  10          2HG       GLN  10  41.202   1.081  -3.277
   64   1HE2  GLN  10          1HE2      GLN  10  39.793   2.337  -5.318
   65   2HE2  GLN  10          2HE2      GLN  10  38.353   1.437  -5.636
   66    H    GLU  11           H        GLU  11  44.274   3.787  -4.743
   67    HA   GLU  11           HA       GLU  11  45.675   3.679  -7.338
   68   1HB   GLU  11          1HB       GLU  11  44.282   6.035  -6.048
   69   2HB   GLU  11          2HB       GLU  11  45.155   6.079  -7.574
   70   1HG   GLU  11          1HG       GLU  11  43.183   3.996  -7.622
   71   2HG   GLU  11          2HG       GLU  11  42.445   5.529  -7.160
   72    H    ASP  12           H        ASP  12  45.725   4.701  -4.024
   73    HA   ASP  12           HA       ASP  12  48.091   6.228  -4.104
   74   1HB   ASP  12          1HB       ASP  12  46.139   5.263  -2.170
   75   2HB   ASP  12          2HB       ASP  12  47.750   5.331  -1.529
   76    H    ALA  13           H        ALA  13  47.411   2.821  -3.814
   77    HA   ALA  13           HA       ALA  13  49.985   2.124  -2.745
   78   1HB   ALA  13          1HB       ALA  13  47.948   0.751  -2.383
   79   2HB   ALA  13          2HB       ALA  13  49.308  -0.162  -3.037
   80   3HB   ALA  13          3HB       ALA  13  47.982   0.321  -4.094
   81    H    GLY  14           H        GLY  14  51.830   1.940  -3.831
   82   1HA   GLY  14          1HA       GLY  14  53.263   1.376  -5.576
   83   2HA   GLY  14          2HA       GLY  14  51.864   0.969  -6.558
   84    H    ASN  15           H        ASN  15  52.580   4.044  -4.946
   85    HA   ASN  15           HA       ASN  15  52.633   5.337  -7.571
   86   1HB   ASN  15          1HB       ASN  15  51.859   7.358  -6.338
   87   2HB   ASN  15          2HB       ASN  15  50.706   6.030  -6.291
   88   1HD2  ASN  15          1HD2      ASN  15  49.903   7.347  -4.476
   89   2HD2  ASN  15          2HD2      ASN  15  50.575   7.051  -2.907
   90    H    LYS  16           H        LYS  16  54.732   4.142  -5.643
   91    HA   LYS  16           HA       LYS  16  56.891   4.504  -5.167
   92   1HB   LYS  16          1HB       LYS  16  56.875   7.147  -6.547
   93   2HB   LYS  16          2HB       LYS  16  58.126   5.904  -6.526
   94   1HG   LYS  16          1HG       LYS  16  55.574   5.948  -8.106
   95   2HG   LYS  16          2HG       LYS  16  57.230   5.904  -8.691
   96   1HD   LYS  16          1HD       LYS  16  57.195   3.652  -7.214
   97   2HD   LYS  16          2HD       LYS  16  55.507   3.721  -7.727
   98   1HE   LYS  16          1HE       LYS  16  56.238   3.906 -10.063
   99   2HE   LYS  16          2HE       LYS  16  57.918   3.811  -9.540
  100   1HZ   LYS  16          1HZ       LYS  16  56.549   1.698 -10.317
  101   2HZ   LYS  16          2HZ       LYS  16  56.147   1.664  -8.675
  102   3HZ   LYS  16          3HZ       LYS  16  57.769   1.603  -9.148
  103    H    VAL  17           H        VAL  17  54.535   5.992  -3.759
  104    HA   VAL  17           HA       VAL  17  56.104   7.997  -2.314
  105    HB   VAL  17           HB       VAL  17  53.183   7.500  -1.820
  106   1HG1  VAL  17          1HG1      VAL  17  54.356  10.207  -1.899
  107   2HG1  VAL  17          2HG1      VAL  17  54.936   9.153  -0.611
  108   3HG1  VAL  17          3HG1      VAL  17  53.213   9.498  -0.759
  109   1HG2  VAL  17          1HG2      VAL  17  53.743   7.794  -4.325
  110   2HG2  VAL  17          2HG2      VAL  17  54.114   9.460  -3.889
  111   3HG2  VAL  17          3HG2      VAL  17  52.496   8.816  -3.615
  112    H    CYS  18           H        CYS  18  54.037   7.463  -0.039
  113    HA   CYS  18           HA       CYS  18  54.779   4.939   1.039
  114   1HB   CYS  18          1HB       CYS  18  56.852   6.160   1.468
  115   2HB   CYS  18          2HB       CYS  18  55.939   7.448   2.240
  116    H    SER  19           H        SER  19  52.825   4.430   1.695
  117    HA   SER  19           HA       SER  19  51.438   6.227   3.568
  118   1HB   SER  19          1HB       SER  19  50.411   4.911   1.109
  119   2HB   SER  19          2HB       SER  19  49.357   4.850   2.522
  120    HG   SER  19           HG       SER  19  49.350   7.072   2.596
  121    H    LEU  20           H        LEU  20  51.650   5.348   5.443
  122    HA   LEU  20           HA       LEU  20  52.132   2.617   5.966
  123   1HB   LEU  20          1HB       LEU  20  51.195   4.885   7.706
  124   2HB   LEU  20          2HB       LEU  20  51.692   3.318   8.330
  125    HG   LEU  20           HG       LEU  20  53.536   4.908   6.608
  126   1HD1  LEU  20          1HD1      LEU  20  53.206   5.263   9.584
  127   2HD1  LEU  20          2HD1      LEU  20  52.781   6.449   8.349
  128   3HD1  LEU  20          3HD1      LEU  20  54.466   5.986   8.586
  129   1HD2  LEU  20          1HD2      LEU  20  53.794   2.440   7.533
  130   2HD2  LEU  20          2HD2      LEU  20  54.378   3.301   8.957
  131   3HD2  LEU  20          3HD2      LEU  20  55.172   3.531   7.399
  132    H    GLN  21           H        GLN  21  49.270   4.608   5.947
  133    HA   GLN  21           HA       GLN  21  47.529   2.696   7.123
  134   1HB   GLN  21          1HB       GLN  21  45.895   4.290   5.528
  135   2HB   GLN  21          2HB       GLN  21  46.246   4.516   7.231
  136   1HG   GLN  21          1HG       GLN  21  46.575   6.582   6.086
  137   2HG   GLN  21          2HG       GLN  21  48.143   5.973   6.609
  138   1HE2  GLN  21          1HE2      GLN  21  46.104   5.190   3.814
  139   2HE2  GLN  21          2HE2      GLN  21  47.300   5.574   2.618
  140    H    CYS  22           H        CYS  22  49.092   2.637   4.178
  141    HA   CYS  22           HA       CYS  22  47.007   0.909   3.020
  142   1HB   CYS  22          1HB       CYS  22  48.998   2.754   1.710
  143   2HB   CYS  22          2HB       CYS  22  48.228   1.446   0.819
  144    H    ASN  23           H        ASN  23  50.193   1.177   4.216
  145    HA   ASN  23           HA       ASN  23  51.377  -0.974   2.824
  146   1HB   ASN  23          1HB       ASN  23  52.360   1.113   4.040
  147   2HB   ASN  23          2HB       ASN  23  52.265   0.085   5.464
  148   1HD2  ASN  23          1HD2      ASN  23  54.569   0.993   4.817
  149   2HD2  ASN  23          2HD2      ASN  23  55.585  -0.229   4.133
  150    H    ASN  24           H        ASN  24  49.087  -2.087   3.629
  151    HA   ASN  24           HA       ASN  24  49.885  -3.709   5.937
  152   1HB   ASN  24          1HB       ASN  24  47.211  -4.174   5.778
  153   2HB   ASN  24          2HB       ASN  24  47.979  -3.078   6.898
  154   1HD2  ASN  24          1HD2      ASN  24  48.474  -0.857   5.672
  155   2HD2  ASN  24          2HD2      ASN  24  47.078  -0.181   4.900
  156    H    HIS  25           H        HIS  25  48.452  -5.744   5.960
  157    HA   HIS  25           HA       HIS  25  49.296  -7.259   3.660
  158   1HB   HIS  25          1HB       HIS  25  49.661  -8.108   5.895
  159   2HB   HIS  25          2HB       HIS  25  47.940  -7.991   6.254
  160    HD1  HIS  25           HD1      HIS  25  48.084 -10.601   6.793
  161    HD2  HIS  25           HD2      HIS  25  48.743  -9.529   2.839
  162    HE1  HIS  25           HE1      HIS  25  47.863 -12.735   5.478
  163    HE2  HIS  25           HE2      HIS  25  48.173 -12.046   3.073
  164    H    ALA  26           H        ALA  26  46.378  -5.956   5.018
  165    HA   ALA  26           HA       ALA  26  44.670  -7.544   3.296
  166   1HB   ALA  26          1HB       ALA  26  44.052  -5.468   5.379
  167   2HB   ALA  26          2HB       ALA  26  43.901  -7.220   5.525
  168   3HB   ALA  26          3HB       ALA  26  42.833  -6.329   4.439
  169    H    CYS  27           H        CYS  27  46.248  -4.469   3.112
  170    HA   CYS  27           HA       CYS  27  44.252  -3.551   1.161
  171   1HB   CYS  27          1HB       CYS  27  46.321  -2.169   2.800
  172   2HB   CYS  27          2HB       CYS  27  45.874  -1.462   1.251
  173    H    GLY  28           H        GLY  28  47.508  -4.696   1.480
  174   1HA   GLY  28          1HA       GLY  28  48.246  -5.786  -0.671
  175   2HA   GLY  28          2HA       GLY  28  47.890  -4.236  -1.417
  176    H    TRP  29           H        TRP  29  49.092  -3.670   1.644
  177    HA   TRP  29           HA       TRP  29  51.042  -3.025   2.478
  178   1HB   TRP  29          1HB       TRP  29  52.139  -4.728   0.230
  179   2HB   TRP  29          2HB       TRP  29  53.155  -3.954   1.443
  180    HD1  TRP  29           HD1      TRP  29  51.673  -7.186   0.840
  181    HE1  TRP  29           HE1      TRP  29  51.392  -8.471   3.061
  182    HE3  TRP  29           HE3      TRP  29  52.246  -3.368   4.096
  183    HZ2  TRP  29           HZ2      TRP  29  51.422  -7.938   5.770
  184    HZ3  TRP  29           HZ3      TRP  29  52.059  -3.784   6.482
  185    HH2  TRP  29           HH2      TRP  29  51.670  -6.060   7.329
  186    H    ASP  30           H        ASP  30  49.620  -1.331   0.851
  187    HA   ASP  30           HA       ASP  30  49.719   0.547  -0.429
  188   1HB   ASP  30          1HB       ASP  30  50.860   1.221   1.662
  189   2HB   ASP  30          2HB       ASP  30  52.396   0.774   0.954
  190    H    GLY  31           H        GLY  31  50.769  -1.900  -1.667
  191   1HA   GLY  31          1HA       GLY  31  51.691  -2.493  -3.677
  192   2HA   GLY  31          2HA       GLY  31  51.729  -0.782  -4.067
  193    H    GLY  32           H        GLY  32  53.450  -1.290  -1.228
  194   1HA   GLY  32          1HA       GLY  32  55.710  -1.759  -0.820
  195   2HA   GLY  32          2HA       GLY  32  55.947  -2.007  -2.547
  196    H    ASP  33           H        ASP  33  54.328   0.744  -1.171
  197    HA   ASP  33           HA       ASP  33  56.209   2.534  -2.453
  198   1HB   ASP  33          1HB       ASP  33  53.522   2.793  -1.175
  199   2HB   ASP  33          2HB       ASP  33  54.508   4.228  -1.397
  200    H    CYS  34           H        CYS  34  54.949   1.916   0.804
  201    HA   CYS  34           HA       CYS  34  56.760   3.802   2.005
  202   1HB   CYS  34          1HB       CYS  34  54.608   2.010   2.925
  203   2HB   CYS  34          2HB       CYS  34  55.927   2.192   4.071
  204    H    SER  35           H        SER  35  56.336   0.283   2.361
  205    HA   SER  35           HA       SER  35  59.017  -0.401   1.893
  206   1HB   SER  35          1HB       SER  35  58.903   0.865   4.273
  207   2HB   SER  35          2HB       SER  35  58.562  -0.784   4.797
  208    HG   SER  35           HG       SER  35  60.853  -0.092   4.673
  Start of MODEL   12
    1   1H    GLU   1          1H        GLU   1  38.014  -9.243   8.297
    2   2H    GLU   1          2H        GLU   1  37.718  -8.600   9.860
    3   3H    GLU   1          3H        GLU   1  39.327  -8.893   9.341
    4    HA   GLU   1           HA       GLU   1  37.539  -7.047   7.932
    5   1HB   GLU   1          1HB       GLU   1  38.704  -5.262   9.264
    6   2HB   GLU   1          2HB       GLU   1  37.588  -6.254  10.192
    7   1HG   GLU   1          1HG       GLU   1  40.496  -6.932  10.103
    8   2HG   GLU   1          2HG       GLU   1  39.900  -5.672  11.181
    9    H    GLU   2           H        GLU   2  39.419  -8.944   6.896
   10    HA   GLU   2           HA       GLU   2  41.733  -7.283   6.197
   11   1HB   GLU   2          1HB       GLU   2  41.196 -10.239   5.932
   12   2HB   GLU   2          2HB       GLU   2  42.579  -9.457   5.179
   13   1HG   GLU   2          1HG       GLU   2  42.299  -8.831   8.011
   14   2HG   GLU   2          2HG       GLU   2  42.523 -10.549   7.685
   15    H    ALA   3           H        ALA   3  39.942  -6.061   4.952
   16    HA   ALA   3           HA       ALA   3  40.069  -6.976   2.181
   17   1HB   ALA   3          1HB       ALA   3  37.787  -6.743   1.747
   18   2HB   ALA   3          2HB       ALA   3  37.501  -5.856   3.243
   19   3HB   ALA   3          3HB       ALA   3  37.839  -7.586   3.295
   20    H    CYS   4           H        CYS   4  41.204  -4.820   4.020
   21    HA   CYS   4           HA       CYS   4  41.903  -2.669   3.787
   22   1HB   CYS   4          1HB       CYS   4  42.350  -3.613   1.490
   23   2HB   CYS   4          2HB       CYS   4  40.843  -2.882   0.974
   24    H    GLU   5           H        GLU   5  41.074  -0.691   4.286
   25    HA   GLU   5           HA       GLU   5  38.217  -0.267   3.751
   26   1HB   GLU   5          1HB       GLU   5  38.231   1.089   5.893
   27   2HB   GLU   5          2HB       GLU   5  38.376  -0.653   6.082
   28   1HG   GLU   5          1HG       GLU   5  40.976   0.541   5.851
   29   2HG   GLU   5          2HG       GLU   5  40.047   1.328   7.125
   30    H    LEU   6           H        LEU   6  40.887   0.611   2.483
   31    HA   LEU   6           HA       LEU   6  40.212   3.474   2.380
   32   1HB   LEU   6          1HB       LEU   6  42.863   2.104   2.518
   33   2HB   LEU   6          2HB       LEU   6  42.722   3.657   1.717
   34    HG   LEU   6           HG       LEU   6  41.442   4.009   4.178
   35   1HD1  LEU   6          1HD1      LEU   6  43.498   3.394   5.648
   36   2HD1  LEU   6          2HD1      LEU   6  43.801   2.194   4.394
   37   3HD1  LEU   6          3HD1      LEU   6  42.280   2.173   5.285
   38   1HD2  LEU   6          1HD2      LEU   6  43.657   5.279   4.648
   39   2HD2  LEU   6          2HD2      LEU   6  42.620   5.802   3.321
   40   3HD2  LEU   6          3HD2      LEU   6  44.056   4.834   2.988
   41    HA   PRO   7           HA       PRO   7  39.522   2.193  -1.878
   42   1HB   PRO   7          1HB       PRO   7  38.480   4.926  -2.125
   43   2HB   PRO   7          2HB       PRO   7  37.652   3.389  -2.389
   44   1HG   PRO   7          1HG       PRO   7  37.100   4.985  -0.283
   45   2HG   PRO   7          2HG       PRO   7  36.987   3.217  -0.195
   46   1HD   PRO   7          1HD       PRO   7  39.147   5.031   0.809
   47   2HD   PRO   7          2HD       PRO   7  38.461   3.569   1.557
   48    H    GLU   8           H        GLU   8  41.402   4.595  -0.398
   49    HA   GLU   8           HA       GLU   8  42.386   5.849  -2.790
   50   1HB   GLU   8          1HB       GLU   8  44.068   6.859  -1.249
   51   2HB   GLU   8          2HB       GLU   8  42.400   7.132  -0.765
   52   1HG   GLU   8          1HG       GLU   8  42.548   5.514   0.963
   53   2HG   GLU   8          2HG       GLU   8  44.106   4.937   0.373
   54    H    CYS   9           H        CYS   9  43.539   3.295  -0.609
   55    HA   CYS   9           HA       CYS   9  46.109   2.995  -1.574
   56   1HB   CYS   9          1HB       CYS   9  44.298   0.721  -0.751
   57   2HB   CYS   9          2HB       CYS   9  46.060   0.765  -0.689
   58    H    GLN  10           H        GLN  10  43.123   2.235  -3.135
   59    HA   GLN  10           HA       GLN  10  43.962   0.269  -4.936
   60   1HB   GLN  10          1HB       GLN  10  41.601   1.409  -4.450
   61   2HB   GLN  10          2HB       GLN  10  42.045   2.345  -5.871
   62   1HG   GLN  10          1HG       GLN  10  42.526   0.016  -6.921
   63   2HG   GLN  10          2HG       GLN  10  41.483  -0.571  -5.627
   64   1HE2  GLN  10          1HE2      GLN  10  41.501   2.158  -7.902
   65   2HE2  GLN  10          2HE2      GLN  10  39.863   1.961  -8.416
   66    H    GLU  11           H        GLU  11  44.397   3.744  -4.936
   67    HA   GLU  11           HA       GLU  11  45.885   3.515  -7.474
   68   1HB   GLU  11          1HB       GLU  11  45.401   5.863  -7.885
   69   2HB   GLU  11          2HB       GLU  11  43.904   4.973  -7.648
   70   1HG   GLU  11          1HG       GLU  11  44.278   5.775  -5.145
   71   2HG   GLU  11          2HG       GLU  11  45.164   7.059  -5.968
   72    H    ASP  12           H        ASP  12  45.845   4.636  -4.194
   73    HA   ASP  12           HA       ASP  12  48.257   6.099  -4.245
   74   1HB   ASP  12          1HB       ASP  12  46.207   5.274  -2.349
   75   2HB   ASP  12          2HB       ASP  12  47.796   5.316  -1.653
   76    H    ALA  13           H        ALA  13  47.610   2.765  -4.319
   77    HA   ALA  13           HA       ALA  13  50.039   1.994  -2.923
   78   1HB   ALA  13          1HB       ALA  13  49.346  -0.316  -3.527
   79   2HB   ALA  13          2HB       ALA  13  47.945   0.364  -4.354
   80   3HB   ALA  13          3HB       ALA  13  48.127   0.572  -2.612
   81    H    GLY  14           H        GLY  14  51.910   1.310  -3.862
   82   1HA   GLY  14          1HA       GLY  14  53.485   0.959  -5.509
   83   2HA   GLY  14          2HA       GLY  14  52.156   0.510  -6.565
   84    H    ASN  15           H        ASN  15  52.982   3.600  -4.989
   85    HA   ASN  15           HA       ASN  15  53.034   4.842  -7.641
   86   1HB   ASN  15          1HB       ASN  15  52.250   6.893  -6.436
   87   2HB   ASN  15          2HB       ASN  15  51.088   5.571  -6.455
   88   1HD2  ASN  15          1HD2      ASN  15  50.275   6.998  -4.673
   89   2HD2  ASN  15          2HD2      ASN  15  50.841   6.636  -3.076
   90    H    LYS  16           H        LYS  16  55.116   3.712  -5.651
   91    HA   LYS  16           HA       LYS  16  57.261   4.123  -5.130
   92   1HB   LYS  16          1HB       LYS  16  57.248   6.711  -6.611
   93   2HB   LYS  16          2HB       LYS  16  58.505   5.478  -6.521
   94   1HG   LYS  16          1HG       LYS  16  55.982   5.444  -8.146
   95   2HG   LYS  16          2HG       LYS  16  57.649   5.393  -8.704
   96   1HD   LYS  16          1HD       LYS  16  57.557   3.199  -7.103
   97   2HD   LYS  16          2HD       LYS  16  55.914   3.233  -7.748
   98   1HE   LYS  16          1HE       LYS  16  56.803   3.305 -10.020
   99   2HE   LYS  16          2HE       LYS  16  58.448   3.298  -9.386
  100   1HZ   LYS  16          1HZ       LYS  16  58.246   1.097  -9.702
  101   2HZ   LYS  16          2HZ       LYS  16  56.556   1.115  -9.650
  102   3HZ   LYS  16          3HZ       LYS  16  57.444   1.128  -8.212
  103    H    VAL  17           H        VAL  17  54.838   5.695  -3.864
  104    HA   VAL  17           HA       VAL  17  56.387   7.729  -2.435
  105    HB   VAL  17           HB       VAL  17  53.460   7.309  -1.958
  106   1HG1  VAL  17          1HG1      VAL  17  54.673   9.981  -2.287
  107   2HG1  VAL  17          2HG1      VAL  17  55.228   9.037  -0.905
  108   3HG1  VAL  17          3HG1      VAL  17  53.512   9.399  -1.093
  109   1HG2  VAL  17          1HG2      VAL  17  52.782   8.509  -3.855
  110   2HG2  VAL  17          2HG2      VAL  17  53.956   7.351  -4.473
  111   3HG2  VAL  17          3HG2      VAL  17  54.425   9.030  -4.222
  112    H    CYS  18           H        CYS  18  54.290   7.350  -0.185
  113    HA   CYS  18           HA       CYS  18  54.942   4.816   0.959
  114   1HB   CYS  18          1HB       CYS  18  57.000   6.047   1.441
  115   2HB   CYS  18          2HB       CYS  18  56.057   7.338   2.173
  116    H    SER  19           H        SER  19  52.947   4.335   1.507
  117    HA   SER  19           HA       SER  19  51.478   6.186   3.267
  118   1HB   SER  19          1HB       SER  19  50.591   4.763   0.826
  119   2HB   SER  19          2HB       SER  19  49.485   4.672   2.195
  120    HG   SER  19           HG       SER  19  50.566   7.070   1.131
  121    H    LEU  20           H        LEU  20  51.634   5.411   5.193
  122    HA   LEU  20           HA       LEU  20  52.131   2.708   5.861
  123   1HB   LEU  20          1HB       LEU  20  51.179   5.068   7.465
  124   2HB   LEU  20          2HB       LEU  20  51.651   3.533   8.180
  125    HG   LEU  20           HG       LEU  20  53.545   4.997   6.403
  126   1HD1  LEU  20          1HD1      LEU  20  54.137   6.554   7.930
  127   2HD1  LEU  20          2HD1      LEU  20  53.755   5.512   9.301
  128   3HD1  LEU  20          3HD1      LEU  20  52.462   6.355   8.447
  129   1HD2  LEU  20          1HD2      LEU  20  53.740   2.595   7.538
  130   2HD2  LEU  20          2HD2      LEU  20  54.352   3.573   8.872
  131   3HD2  LEU  20          3HD2      LEU  20  55.136   3.644   7.295
  132    H    GLN  21           H        GLN  21  49.257   4.735   5.910
  133    HA   GLN  21           HA       GLN  21  47.538   2.828   7.090
  134   1HB   GLN  21          1HB       GLN  21  45.826   4.344   6.754
  135   2HB   GLN  21          2HB       GLN  21  47.234   5.394   6.775
  136   1HG   GLN  21          1HG       GLN  21  45.809   4.397   4.318
  137   2HG   GLN  21          2HG       GLN  21  45.678   6.012   5.014
  138   1HE2  GLN  21          1HE2      GLN  21  46.413   5.611   2.398
  139   2HE2  GLN  21          2HE2      GLN  21  48.071   6.064   2.189
  140    H    CYS  22           H        CYS  22  49.032   2.751   4.101
  141    HA   CYS  22           HA       CYS  22  46.900   1.061   2.976
  142   1HB   CYS  22          1HB       CYS  22  48.940   2.847   1.670
  143   2HB   CYS  22          2HB       CYS  22  48.209   1.517   0.782
  144    H    ASN  23           H        ASN  23  50.111   1.277   4.129
  145    HA   ASN  23           HA       ASN  23  51.214  -0.954   2.810
  146   1HB   ASN  23          1HB       ASN  23  52.258   1.137   3.979
  147   2HB   ASN  23          2HB       ASN  23  52.159   0.128   5.416
  148   1HD2  ASN  23          1HD2      ASN  23  54.476   0.954   4.750
  149   2HD2  ASN  23          2HD2      ASN  23  55.450  -0.292   4.047
  150    H    ASN  24           H        ASN  24  48.917  -2.004   3.635
  151    HA   ASN  24           HA       ASN  24  49.677  -3.569   5.994
  152   1HB   ASN  24          1HB       ASN  24  46.997  -3.996   5.840
  153   2HB   ASN  24          2HB       ASN  24  47.780  -2.886   6.934
  154   1HD2  ASN  24          1HD2      ASN  24  48.316  -0.706   5.642
  155   2HD2  ASN  24          2HD2      ASN  24  46.929  -0.026   4.857
  156    H    HIS  25           H        HIS  25  48.221  -5.586   6.067
  157    HA   HIS  25           HA       HIS  25  49.052  -7.166   3.810
  158   1HB   HIS  25          1HB       HIS  25  49.396  -7.970   6.062
  159   2HB   HIS  25          2HB       HIS  25  47.676  -7.816   6.414
  160    HD1  HIS  25           HD1      HIS  25  47.762 -10.413   7.012
  161    HD2  HIS  25           HD2      HIS  25  48.477  -9.450   3.041
  162    HE1  HIS  25           HE1      HIS  25  47.509 -12.573   5.746
  163    HE2  HIS  25           HE2      HIS  25  47.854 -11.949   3.329
  164    H    ALA  26           H        ALA  26  46.142  -5.800   5.126
  165    HA   ALA  26           HA       ALA  26  44.425  -7.397   3.421
  166   1HB   ALA  26          1HB       ALA  26  42.597  -6.122   4.531
  167   2HB   ALA  26          2HB       ALA  26  43.830  -5.294   5.481
  168   3HB   ALA  26          3HB       ALA  26  43.630  -7.040   5.627
  169    H    CYS  27           H        CYS  27  46.058  -4.365   3.174
  170    HA   CYS  27           HA       CYS  27  44.077  -3.437   1.213
  171   1HB   CYS  27          1HB       CYS  27  46.161  -2.070   2.841
  172   2HB   CYS  27          2HB       CYS  27  45.772  -1.388   1.266
  173    H    GLY  28           H        GLY  28  47.321  -4.619   1.556
  174   1HA   GLY  28          1HA       GLY  28  48.044  -5.768  -0.572
  175   2HA   GLY  28          2HA       GLY  28  47.714  -4.226  -1.349
  176    H    TRP  29           H        TRP  29  48.908  -3.628   1.708
  177    HA   TRP  29           HA       TRP  29  50.863  -2.995   2.542
  178   1HB   TRP  29          1HB       TRP  29  51.942  -4.756   0.333
  179   2HB   TRP  29          2HB       TRP  29  52.967  -3.971   1.529
  180    HD1  TRP  29           HD1      TRP  29  51.447  -7.195   1.000
  181    HE1  TRP  29           HE1      TRP  29  51.139  -8.421   3.250
  182    HE3  TRP  29           HE3      TRP  29  52.052  -3.308   4.163
  183    HZ2  TRP  29           HZ2      TRP  29  51.160  -7.822   5.946
  184    HZ3  TRP  29           HZ3      TRP  29  51.848  -3.660   6.557
  185    HH2  TRP  29           HH2      TRP  29  51.425  -5.909   7.459
  186    H    ASP  30           H        ASP  30  49.497  -1.270   0.927
  187    HA   ASP  30           HA       ASP  30  49.640   0.612  -0.342
  188   1HB   ASP  30          1HB       ASP  30  50.855   1.321   1.653
  189   2HB   ASP  30          2HB       ASP  30  52.344   0.669   1.009
  190    H    GLY  31           H        GLY  31  50.671  -1.948  -1.555
  191   1HA   GLY  31          1HA       GLY  31  51.418  -2.509  -3.656
  192   2HA   GLY  31          2HA       GLY  31  51.588  -0.797  -3.996
  193    H    GLY  32           H        GLY  32  53.358  -0.960  -1.340
  194   1HA   GLY  32          1HA       GLY  32  55.559  -1.818  -0.919
  195   2HA   GLY  32          2HA       GLY  32  55.754  -2.047  -2.651
  196    H    ASP  33           H        ASP  33  54.367   0.852  -1.278
  197    HA   ASP  33           HA       ASP  33  56.506   2.408  -2.468
  198   1HB   ASP  33          1HB       ASP  33  54.233   3.668  -0.997
  199   2HB   ASP  33          2HB       ASP  33  55.071   4.202  -2.446
  200    H    CYS  34           H        CYS  34  55.009   1.880   0.711
  201    HA   CYS  34           HA       CYS  34  56.856   3.664   2.010
  202   1HB   CYS  34          1HB       CYS  34  54.592   1.959   2.827
  203   2HB   CYS  34          2HB       CYS  34  55.870   2.084   4.024
  204    H    SER  35           H        SER  35  56.271   0.158   2.290
  205    HA   SER  35           HA       SER  35  57.647  -1.600   2.720
  206   1HB   SER  35          1HB       SER  35  58.791  -0.891   0.672
  207   2HB   SER  35          2HB       SER  35  59.772   0.244   1.599
  208    HG   SER  35           HG       SER  35  59.788  -2.586   1.745
  Start of MODEL   13
    1   1H    GLU   1          1H        GLU   1  36.493  -8.657   8.145
    2   2H    GLU   1          2H        GLU   1  37.671  -9.243   7.043
    3   3H    GLU   1          3H        GLU   1  36.812  -7.799   6.696
    4    HA   GLU   1           HA       GLU   1  37.827  -6.676   8.474
    5   1HB   GLU   1          1HB       GLU   1  38.669  -9.456   9.138
    6   2HB   GLU   1          2HB       GLU   1  39.773  -8.153   9.555
    7   1HG   GLU   1          1HG       GLU   1  38.511  -8.450  11.476
    8   2HG   GLU   1          2HG       GLU   1  37.757  -7.062  10.692
    9    H    GLU   2           H        GLU   2  39.980  -9.230   7.232
   10    HA   GLU   2           HA       GLU   2  41.895  -7.310   6.317
   11   1HB   GLU   2          1HB       GLU   2  41.665 -10.279   6.318
   12   2HB   GLU   2          2HB       GLU   2  42.772  -9.549   5.163
   13   1HG   GLU   2          1HG       GLU   2  44.278  -9.087   6.733
   14   2HG   GLU   2          2HG       GLU   2  43.059  -8.455   7.839
   15    H    ALA   3           H        ALA   3  40.155  -6.194   4.996
   16    HA   ALA   3           HA       ALA   3  40.374  -7.136   2.240
   17   1HB   ALA   3          1HB       ALA   3  37.879  -6.190   2.105
   18   2HB   ALA   3          2HB       ALA   3  37.864  -6.794   3.763
   19   3HB   ALA   3          3HB       ALA   3  38.242  -7.884   2.429
   20    H    CYS   4           H        CYS   4  41.374  -4.910   4.093
   21    HA   CYS   4           HA       CYS   4  42.003  -2.739   3.848
   22   1HB   CYS   4          1HB       CYS   4  42.572  -3.706   1.587
   23   2HB   CYS   4          2HB       CYS   4  41.063  -3.035   1.001
   24    H    GLU   5           H        GLU   5  41.057  -0.830   4.361
   25    HA   GLU   5           HA       GLU   5  38.230  -0.490   3.639
   26   1HB   GLU   5          1HB       GLU   5  37.858   0.614   5.774
   27   2HB   GLU   5          2HB       GLU   5  38.511  -0.998   6.035
   28   1HG   GLU   5          1HG       GLU   5  40.387  -0.226   6.986
   29   2HG   GLU   5          2HG       GLU   5  40.519   1.131   5.869
   30    H    LEU   6           H        LEU   6  40.939   0.506   2.562
   31    HA   LEU   6           HA       LEU   6  40.194   3.355   2.513
   32   1HB   LEU   6          1HB       LEU   6  42.903   2.061   2.565
   33   2HB   LEU   6          2HB       LEU   6  42.669   3.705   2.000
   34    HG   LEU   6           HG       LEU   6  41.389   3.718   4.443
   35   1HD1  LEU   6          1HD1      LEU   6  43.978   2.244   4.844
   36   2HD1  LEU   6          2HD1      LEU   6  42.411   1.435   4.810
   37   3HD1  LEU   6          3HD1      LEU   6  42.750   2.648   6.044
   38   1HD2  LEU   6          1HD2      LEU   6  42.630   5.576   4.097
   39   2HD2  LEU   6          2HD2      LEU   6  43.956   4.687   3.349
   40   3HD2  LEU   6          3HD2      LEU   6  43.787   4.707   5.105
   41    HA   PRO   7           HA       PRO   7  39.636   2.214  -1.803
   42   1HB   PRO   7          1HB       PRO   7  38.611   4.965  -1.973
   43   2HB   PRO   7          2HB       PRO   7  37.794   3.446  -2.345
   44   1HG   PRO   7          1HG       PRO   7  37.152   4.930  -0.188
   45   2HG   PRO   7          2HG       PRO   7  37.054   3.160  -0.184
   46   1HD   PRO   7          1HD       PRO   7  39.155   4.945   0.982
   47   2HD   PRO   7          2HD       PRO   7  38.458   3.444   1.636
   48    H    GLU   8           H        GLU   8  41.453   4.586  -0.185
   49    HA   GLU   8           HA       GLU   8  42.512   5.967  -2.449
   50   1HB   GLU   8          1HB       GLU   8  42.799   6.042   0.422
   51   2HB   GLU   8          2HB       GLU   8  44.376   6.127  -0.351
   52   1HG   GLU   8          1HG       GLU   8  44.027   8.192  -1.128
   53   2HG   GLU   8          2HG       GLU   8  42.348   7.859  -1.554
   54    H    CYS   9           H        CYS   9  43.596   3.196  -0.514
   55    HA   CYS   9           HA       CYS   9  46.147   2.921  -1.582
   56   1HB   CYS   9          1HB       CYS   9  44.374   0.598  -0.824
   57   2HB   CYS   9          2HB       CYS   9  46.135   0.696  -0.750
   58    H    GLN  10           H        GLN  10  43.087   2.322  -3.049
   59    HA   GLN  10           HA       GLN  10  43.812   0.414  -4.970
   60   1HB   GLN  10          1HB       GLN  10  41.496   1.617  -4.318
   61   2HB   GLN  10          2HB       GLN  10  41.890   2.526  -5.770
   62   1HG   GLN  10          1HG       GLN  10  42.188  -0.368  -6.055
   63   2HG   GLN  10          2HG       GLN  10  40.543   0.163  -5.704
   64   1HE2  GLN  10          1HE2      GLN  10  40.315   2.490  -7.003
   65   2HE2  GLN  10          2HE2      GLN  10  40.521   2.275  -8.704
   66    H    GLU  11           H        GLU  11  44.328   3.866  -4.801
   67    HA   GLU  11           HA       GLU  11  45.664   3.758  -7.431
   68   1HB   GLU  11          1HB       GLU  11  43.602   5.418  -6.708
   69   2HB   GLU  11          2HB       GLU  11  45.006   6.421  -6.375
   70   1HG   GLU  11          1HG       GLU  11  45.607   5.409  -8.835
   71   2HG   GLU  11          2HG       GLU  11  43.854   5.578  -8.921
   72    H    ASP  12           H        ASP  12  45.842   4.687  -4.093
   73    HA   ASP  12           HA       ASP  12  48.281   6.098  -4.207
   74   1HB   ASP  12          1HB       ASP  12  46.326   5.212  -2.240
   75   2HB   ASP  12          2HB       ASP  12  47.953   5.182  -1.638
   76    H    ALA  13           H        ALA  13  47.405   2.725  -3.657
   77    HA   ALA  13           HA       ALA  13  49.958   1.889  -2.740
   78   1HB   ALA  13          1HB       ALA  13  49.165  -0.360  -3.055
   79   2HB   ALA  13          2HB       ALA  13  47.855   0.206  -4.092
   80   3HB   ALA  13          3HB       ALA  13  47.861   0.615  -2.376
   81    H    GLY  14           H        GLY  14  51.782   1.836  -3.867
   82   1HA   GLY  14          1HA       GLY  14  53.196   1.189  -5.610
   83   2HA   GLY  14          2HA       GLY  14  51.788   0.770  -6.569
   84    H    ASN  15           H        ASN  15  52.582   3.866  -5.029
   85    HA   ASN  15           HA       ASN  15  52.580   5.113  -7.677
   86   1HB   ASN  15          1HB       ASN  15  51.878   7.167  -6.461
   87   2HB   ASN  15          2HB       ASN  15  50.704   5.861  -6.346
   88   1HD2  ASN  15          1HD2      ASN  15  49.957   7.171  -4.525
   89   2HD2  ASN  15          2HD2      ASN  15  50.694   6.922  -2.978
   90    H    LYS  16           H        LYS  16  54.709   3.922  -5.764
   91    HA   LYS  16           HA       LYS  16  56.888   4.256  -5.356
   92   1HB   LYS  16          1HB       LYS  16  56.881   6.866  -6.799
   93   2HB   LYS  16          2HB       LYS  16  58.111   5.603  -6.778
   94   1HG   LYS  16          1HG       LYS  16  55.522   5.656  -8.296
   95   2HG   LYS  16          2HG       LYS  16  57.162   5.564  -8.919
   96   1HD   LYS  16          1HD       LYS  16  57.085   3.352  -7.355
   97   2HD   LYS  16          2HD       LYS  16  55.410   3.441  -7.905
   98   1HE   LYS  16          1HE       LYS  16  56.572   2.102  -9.479
   99   2HE   LYS  16          2HE       LYS  16  56.307   3.667 -10.246
  100   1HZ   LYS  16          1HZ       LYS  16  58.832   2.848  -8.916
  101   2HZ   LYS  16          2HZ       LYS  16  58.565   4.281  -9.771
  102   3HZ   LYS  16          3HZ       LYS  16  58.564   2.800 -10.586
  103    H    VAL  17           H        VAL  17  54.589   5.828  -3.931
  104    HA   VAL  17           HA       VAL  17  56.241   7.824  -2.565
  105    HB   VAL  17           HB       VAL  17  53.318   7.435  -2.005
  106   1HG1  VAL  17          1HG1      VAL  17  53.428   9.470  -1.019
  107   2HG1  VAL  17          2HG1      VAL  17  54.577  10.099  -2.199
  108   3HG1  VAL  17          3HG1      VAL  17  55.140   9.068  -0.884
  109   1HG2  VAL  17          1HG2      VAL  17  53.832   7.630  -4.532
  110   2HG2  VAL  17          2HG2      VAL  17  54.258   9.298  -4.158
  111   3HG2  VAL  17          3HG2      VAL  17  52.628   8.709  -3.829
  112    H    CYS  18           H        CYS  18  54.191   7.413  -0.250
  113    HA   CYS  18           HA       CYS  18  54.892   4.894   0.881
  114   1HB   CYS  18          1HB       CYS  18  56.980   6.106   1.271
  115   2HB   CYS  18          2HB       CYS  18  56.081   7.418   2.021
  116    H    SER  19           H        SER  19  52.922   4.429   1.536
  117    HA   SER  19           HA       SER  19  51.557   6.292   3.362
  118   1HB   SER  19          1HB       SER  19  50.577   5.073   0.884
  119   2HB   SER  19          2HB       SER  19  49.529   4.753   2.266
  120    HG   SER  19           HG       SER  19  49.706   7.108   2.647
  121    H    LEU  20           H        LEU  20  51.756   5.475   5.263
  122    HA   LEU  20           HA       LEU  20  52.213   2.758   5.873
  123   1HB   LEU  20          1HB       LEU  20  51.308   5.091   7.541
  124   2HB   LEU  20          2HB       LEU  20  51.796   3.539   8.214
  125    HG   LEU  20           HG       LEU  20  53.644   5.058   6.430
  126   1HD1  LEU  20          1HD1      LEU  20  53.195   5.555   9.367
  127   2HD1  LEU  20          2HD1      LEU  20  53.025   6.710   8.046
  128   3HD1  LEU  20          3HD1      LEU  20  54.619   6.092   8.478
  129   1HD2  LEU  20          1HD2      LEU  20  54.688   3.097   6.843
  130   2HD2  LEU  20          2HD2      LEU  20  53.793   2.810   8.336
  131   3HD2  LEU  20          3HD2      LEU  20  55.163   3.921   8.329
  132    H    GLN  21           H        GLN  21  49.364   4.796   5.880
  133    HA   GLN  21           HA       GLN  21  47.626   2.945   7.119
  134   1HB   GLN  21          1HB       GLN  21  45.957   4.484   6.781
  135   2HB   GLN  21          2HB       GLN  21  47.370   5.520   6.661
  136   1HG   GLN  21          1HG       GLN  21  45.832   4.363   4.347
  137   2HG   GLN  21          2HG       GLN  21  45.727   6.020   4.938
  138   1HE2  GLN  21          1HE2      GLN  21  46.311   5.589   2.347
  139   2HE2  GLN  21          2HE2      GLN  21  47.970   5.969   2.024
  140    H    CYS  22           H        CYS  22  49.103   2.810   4.101
  141    HA   CYS  22           HA       CYS  22  46.985   1.042   3.069
  142   1HB   CYS  22          1HB       CYS  22  48.917   2.868   1.667
  143   2HB   CYS  22          2HB       CYS  22  48.231   1.485   0.829
  144    H    ASN  23           H        ASN  23  50.208   1.338   4.156
  145    HA   ASN  23           HA       ASN  23  51.332  -0.881   2.832
  146   1HB   ASN  23          1HB       ASN  23  52.372   1.233   3.937
  147   2HB   ASN  23          2HB       ASN  23  52.285   0.273   5.409
  148   1HD2  ASN  23          1HD2      ASN  23  54.594   1.071   4.762
  149   2HD2  ASN  23          2HD2      ASN  23  55.580  -0.180   4.084
  150    H    ASN  24           H        ASN  24  49.072  -1.963   3.697
  151    HA   ASN  24           HA       ASN  24  49.875  -3.488   6.068
  152   1HB   ASN  24          1HB       ASN  24  47.200  -3.959   5.933
  153   2HB   ASN  24          2HB       ASN  24  47.970  -2.823   7.010
  154   1HD2  ASN  24          1HD2      ASN  24  48.468  -0.653   5.689
  155   2HD2  ASN  24          2HD2      ASN  24  47.067  -0.003   4.901
  156    H    HIS  25           H        HIS  25  48.445  -5.524   6.178
  157    HA   HIS  25           HA       HIS  25  49.287  -7.125   3.937
  158   1HB   HIS  25          1HB       HIS  25  49.657  -7.891   6.198
  159   2HB   HIS  25          2HB       HIS  25  47.938  -7.763   6.558
  160    HD1  HIS  25           HD1      HIS  25  48.075 -10.352   7.188
  161    HD2  HIS  25           HD2      HIS  25  48.743  -9.422   3.199
  162    HE1  HIS  25           HE1      HIS  25  47.854 -12.531   5.948
  163    HE2  HIS  25           HE2      HIS  25  48.358 -11.961   3.544
  164    H    ALA  26           H        ALA  26  46.363  -5.785   5.253
  165    HA   ALA  26           HA       ALA  26  44.664  -7.438   3.583
  166   1HB   ALA  26          1HB       ALA  26  42.832  -6.086   4.674
  167   2HB   ALA  26          2HB       ALA  26  44.096  -5.358   5.667
  168   3HB   ALA  26          3HB       ALA  26  43.810  -7.096   5.739
  169    H    CYS  27           H        CYS  27  46.250  -4.386   3.282
  170    HA   CYS  27           HA       CYS  27  44.252  -3.521   1.309
  171   1HB   CYS  27          1HB       CYS  27  46.321  -2.099   2.907
  172   2HB   CYS  27          2HB       CYS  27  45.919  -1.450   1.322
  173    H    GLY  28           H        GLY  28  47.506  -4.662   1.671
  174   1HA   GLY  28          1HA       GLY  28  48.245  -5.845  -0.428
  175   2HA   GLY  28          2HA       GLY  28  47.884  -4.332  -1.246
  176    H    TRP  29           H        TRP  29  49.081  -3.609   1.781
  177    HA   TRP  29           HA       TRP  29  51.027  -2.924   2.586
  178   1HB   TRP  29          1HB       TRP  29  52.142  -4.713   0.413
  179   2HB   TRP  29          2HB       TRP  29  53.144  -3.889   1.601
  180    HD1  TRP  29           HD1      TRP  29  51.679  -7.148   1.112
  181    HE1  TRP  29           HE1      TRP  29  51.397  -8.352   3.376
  182    HE3  TRP  29           HE3      TRP  29  52.227  -3.214   4.229
  183    HZ2  TRP  29           HZ2      TRP  29  51.418  -7.722   6.064
  184    HZ3  TRP  29           HZ3      TRP  29  52.034  -3.544   6.629
  185    HH2  TRP  29           HH2      TRP  29  51.653  -5.788   7.555
  186    H    ASP  30           H        ASP  30  49.619  -1.264   0.974
  187    HA   ASP  30           HA       ASP  30  49.697   0.551  -0.403
  188   1HB   ASP  30          1HB       ASP  30  50.862   1.304   1.641
  189   2HB   ASP  30          2HB       ASP  30  52.390   0.816   0.940
  190    H    GLY  31           H        GLY  31  50.691  -1.928  -1.588
  191   1HA   GLY  31          1HA       GLY  31  51.575  -2.590  -3.594
  192   2HA   GLY  31          2HA       GLY  31  51.639  -0.892  -4.028
  193    H    GLY  32           H        GLY  32  53.395  -1.354  -1.204
  194   1HA   GLY  32          1HA       GLY  32  55.652  -1.865  -0.821
  195   2HA   GLY  32          2HA       GLY  32  55.857  -2.150  -2.547
  196    H    ASP  33           H        ASP  33  54.301   0.658  -1.232
  197    HA   ASP  33           HA       ASP  33  56.201   2.386  -2.564
  198   1HB   ASP  33          1HB       ASP  33  53.542   2.727  -1.244
  199   2HB   ASP  33          2HB       ASP  33  54.549   4.134  -1.535
  200    H    CYS  34           H        CYS  34  54.962   1.877   0.723
  201    HA   CYS  34           HA       CYS  34  56.837   3.742   1.857
  202   1HB   CYS  34          1HB       CYS  34  54.648   2.031   2.845
  203   2HB   CYS  34          2HB       CYS  34  55.985   2.208   3.971
  204    H    SER  35           H        SER  35  56.322   0.243   2.285
  205    HA   SER  35           HA       SER  35  58.982  -0.519   1.818
  206   1HB   SER  35          1HB       SER  35  58.922   0.793   4.171
  207   2HB   SER  35          2HB       SER  35  58.522  -0.830   4.733
  208    HG   SER  35           HG       SER  35  60.888   0.028   4.323
  Start of MODEL   14
    1   1H    GLU   1          1H        GLU   1  37.994  -9.812  10.009
    2   2H    GLU   1          2H        GLU   1  37.898  -8.165   9.539
    3   3H    GLU   1          3H        GLU   1  39.420  -8.868   9.903
    4    HA   GLU   1           HA       GLU   1  38.985 -10.447   8.054
    5   1HB   GLU   1          1HB       GLU   1  36.497  -9.252   8.171
    6   2HB   GLU   1          2HB       GLU   1  37.232  -8.482   6.771
    7   1HG   GLU   1          1HG       GLU   1  37.398 -10.465   5.601
    8   2HG   GLU   1          2HG       GLU   1  37.319 -11.451   7.060
    9    H    GLU   2           H        GLU   2  39.717  -9.796   5.831
   10    HA   GLU   2           HA       GLU   2  41.237  -7.272   5.948
   11   1HB   GLU   2          1HB       GLU   2  42.879  -8.504   4.418
   12   2HB   GLU   2          2HB       GLU   2  42.863  -8.960   6.116
   13   1HG   GLU   2          1HG       GLU   2  42.208 -11.046   5.673
   14   2HG   GLU   2          2HG       GLU   2  41.042 -10.526   4.456
   15    H    ALA   3           H        ALA   3  39.913  -5.985   4.745
   16    HA   ALA   3           HA       ALA   3  39.704  -6.655   1.910
   17   1HB   ALA   3          1HB       ALA   3  37.446  -6.505   1.748
   18   2HB   ALA   3          2HB       ALA   3  37.319  -5.363   3.086
   19   3HB   ALA   3          3HB       ALA   3  37.541  -7.082   3.412
   20    H    CYS   4           H        CYS   4  41.130  -4.724   3.824
   21    HA   CYS   4           HA       CYS   4  41.943  -2.601   3.697
   22   1HB   CYS   4          1HB       CYS   4  42.165  -3.376   1.306
   23   2HB   CYS   4          2HB       CYS   4  40.662  -2.540   0.968
   24    H    GLU   5           H        GLU   5  41.296  -0.536   4.255
   25    HA   GLU   5           HA       GLU   5  38.412  -0.004   4.115
   26   1HB   GLU   5          1HB       GLU   5  38.559   1.136   6.261
   27   2HB   GLU   5          2HB       GLU   5  39.127  -0.520   6.413
   28   1HG   GLU   5          1HG       GLU   5  41.179   1.517   5.832
   29   2HG   GLU   5          2HG       GLU   5  40.422   1.593   7.422
   30    H    LEU   6           H        LEU   6  40.950   0.807   2.538
   31    HA   LEU   6           HA       LEU   6  40.245   3.655   2.419
   32   1HB   LEU   6          1HB       LEU   6  42.958   2.406   2.592
   33   2HB   LEU   6          2HB       LEU   6  42.739   3.947   1.783
   34    HG   LEU   6           HG       LEU   6  42.002   3.392   4.658
   35   1HD1  LEU   6          1HD1      LEU   6  44.522   3.540   3.751
   36   2HD1  LEU   6          2HD1      LEU   6  44.019   4.147   5.330
   37   3HD1  LEU   6          3HD1      LEU   6  44.180   5.257   3.968
   38   1HD2  LEU   6          1HD2      LEU   6  40.613   5.122   3.823
   39   2HD2  LEU   6          2HD2      LEU   6  41.955   5.881   2.967
   40   3HD2  LEU   6          3HD2      LEU   6  41.906   5.908   4.730
   41    HA   PRO   7           HA       PRO   7  39.640   2.212  -1.802
   42   1HB   PRO   7          1HB       PRO   7  38.514   4.904  -2.139
   43   2HB   PRO   7          2HB       PRO   7  37.742   3.335  -2.375
   44   1HG   PRO   7          1HG       PRO   7  37.105   4.959  -0.316
   45   2HG   PRO   7          2HG       PRO   7  37.057   3.191  -0.183
   46   1HD   PRO   7          1HD       PRO   7  39.133   5.112   0.798
   47   2HD   PRO   7          2HD       PRO   7  38.495   3.644   1.576
   48    H    GLU   8           H        GLU   8  41.406   4.745  -0.387
   49    HA   GLU   8           HA       GLU   8  42.378   5.968  -2.791
   50   1HB   GLU   8          1HB       GLU   8  44.073   6.992  -1.245
   51   2HB   GLU   8          2HB       GLU   8  42.397   7.293  -0.809
   52   1HG   GLU   8          1HG       GLU   8  42.481   5.746   0.970
   53   2HG   GLU   8          2HG       GLU   8  44.020   5.087   0.419
   54    H    CYS   9           H        CYS   9  43.577   3.462  -0.590
   55    HA   CYS   9           HA       CYS   9  46.151   3.180  -1.529
   56   1HB   CYS   9          1HB       CYS   9  44.331   0.911  -0.713
   57   2HB   CYS   9          2HB       CYS   9  46.093   0.930  -0.664
   58    H    GLN  10           H        GLN  10  43.188   2.351  -3.113
   59    HA   GLN  10           HA       GLN  10  44.094   0.409  -4.908
   60   1HB   GLN  10          1HB       GLN  10  41.708   1.687  -4.447
   61   2HB   GLN  10          2HB       GLN  10  42.158   2.312  -6.027
   62   1HG   GLN  10          1HG       GLN  10  42.491  -0.576  -5.766
   63   2HG   GLN  10          2HG       GLN  10  40.829  -0.023  -5.559
   64   1HE2  GLN  10          1HE2      GLN  10  43.537  -0.224  -7.737
   65   2HE2  GLN  10          2HE2      GLN  10  42.658   0.128  -9.182
   66    H    GLU  11           H        GLU  11  44.445   3.887  -4.893
   67    HA   GLU  11           HA       GLU  11  45.935   3.715  -7.434
   68   1HB   GLU  11          1HB       GLU  11  44.589   6.156  -6.261
   69   2HB   GLU  11          2HB       GLU  11  45.397   6.054  -7.819
   70   1HG   GLU  11          1HG       GLU  11  42.968   4.444  -7.084
   71   2HG   GLU  11          2HG       GLU  11  42.910   5.996  -7.919
   72    H    ASP  12           H        ASP  12  45.869   4.816  -4.147
   73    HA   ASP  12           HA       ASP  12  48.251   6.321  -4.180
   74   1HB   ASP  12          1HB       ASP  12  46.209   5.447  -2.299
   75   2HB   ASP  12          2HB       ASP  12  47.792   5.512  -1.592
   76    H    ALA  13           H        ALA  13  47.675   2.981  -4.297
   77    HA   ALA  13           HA       ALA  13  50.132   2.257  -2.912
   78   1HB   ALA  13          1HB       ALA  13  49.470  -0.056  -3.377
   79   2HB   ALA  13          2HB       ALA  13  48.102   0.528  -4.324
   80   3HB   ALA  13          3HB       ALA  13  48.174   0.844  -2.590
   81    H    GLY  14           H        GLY  14  51.953   1.400  -3.898
   82   1HA   GLY  14          1HA       GLY  14  53.477   1.026  -5.588
   83   2HA   GLY  14          2HA       GLY  14  52.107   0.709  -6.638
   84    H    ASN  15           H        ASN  15  52.974   3.711  -4.946
   85    HA   ASN  15           HA       ASN  15  53.187   5.031  -7.549
   86   1HB   ASN  15          1HB       ASN  15  52.454   7.073  -6.280
   87   2HB   ASN  15          2HB       ASN  15  51.235   5.812  -6.420
   88   1HD2  ASN  15          1HD2      ASN  15  50.452   7.259  -4.607
   89   2HD2  ASN  15          2HD2      ASN  15  50.896   6.767  -3.009
   90    H    LYS  16           H        LYS  16  55.145   3.755  -5.513
   91    HA   LYS  16           HA       LYS  16  57.283   4.058  -4.900
   92   1HB   LYS  16          1HB       LYS  16  57.448   6.665  -6.333
   93   2HB   LYS  16          2HB       LYS  16  58.639   5.369  -6.226
   94   1HG   LYS  16          1HG       LYS  16  56.168   5.489  -7.930
   95   2HG   LYS  16          2HG       LYS  16  57.848   5.379  -8.439
   96   1HD   LYS  16          1HD       LYS  16  57.609   3.155  -6.892
   97   2HD   LYS  16          2HD       LYS  16  55.994   3.274  -7.594
   98   1HE   LYS  16          1HE       LYS  16  58.406   3.552  -9.338
   99   2HE   LYS  16          2HE       LYS  16  57.866   1.950  -8.836
  100   1HZ   LYS  16          1HZ       LYS  16  56.965   3.179 -11.006
  101   2HZ   LYS  16          2HZ       LYS  16  55.816   3.720  -9.890
  102   3HZ   LYS  16          3HZ       LYS  16  56.044   2.061 -10.132
  103    H    VAL  17           H        VAL  17  54.902   5.702  -3.675
  104    HA   VAL  17           HA       VAL  17  56.465   7.692  -2.205
  105    HB   VAL  17           HB       VAL  17  53.534   7.268  -1.740
  106   1HG1  VAL  17          1HG1      VAL  17  55.303   8.974  -0.644
  107   2HG1  VAL  17          2HG1      VAL  17  53.587   9.336  -0.826
  108   3HG1  VAL  17          3HG1      VAL  17  54.748   9.946  -2.006
  109   1HG2  VAL  17          1HG2      VAL  17  52.863   8.476  -3.621
  110   2HG2  VAL  17          2HG2      VAL  17  54.081   7.376  -4.259
  111   3HG2  VAL  17          3HG2      VAL  17  54.493   9.059  -3.947
  112    H    CYS  18           H        CYS  18  54.364   7.288   0.043
  113    HA   CYS  18           HA       CYS  18  54.961   4.740   1.153
  114   1HB   CYS  18          1HB       CYS  18  57.092   5.879   1.586
  115   2HB   CYS  18          2HB       CYS  18  56.225   7.179   2.394
  116    H    SER  19           H        SER  19  52.975   4.340   1.764
  117    HA   SER  19           HA       SER  19  51.668   6.183   3.647
  118   1HB   SER  19          1HB       SER  19  49.545   4.891   2.501
  119   2HB   SER  19          2HB       SER  19  50.109   6.491   2.016
  120    HG   SER  19           HG       SER  19  50.002   4.309   0.546
  121    H    LEU  20           H        LEU  20  51.809   5.250   5.502
  122    HA   LEU  20           HA       LEU  20  52.120   2.484   5.962
  123   1HB   LEU  20          1HB       LEU  20  51.300   4.759   7.752
  124   2HB   LEU  20          2HB       LEU  20  51.706   3.151   8.339
  125    HG   LEU  20           HG       LEU  20  53.651   4.671   6.666
  126   1HD1  LEU  20          1HD1      LEU  20  52.860   5.256   9.465
  127   2HD1  LEU  20          2HD1      LEU  20  53.448   6.339   8.203
  128   3HD1  LEU  20          3HD1      LEU  20  54.578   5.298   9.068
  129   1HD2  LEU  20          1HD2      LEU  20  53.981   2.265   7.263
  130   2HD2  LEU  20          2HD2      LEU  20  54.081   2.759   8.953
  131   3HD2  LEU  20          3HD2      LEU  20  55.278   3.335   7.793
  132    H    GLN  21           H        GLN  21  49.388   4.645   5.949
  133    HA   GLN  21           HA       GLN  21  47.516   2.834   7.079
  134   1HB   GLN  21          1HB       GLN  21  46.021   4.551   5.462
  135   2HB   GLN  21          2HB       GLN  21  46.330   4.718   7.180
  136   1HG   GLN  21          1HG       GLN  21  46.825   6.783   6.103
  137   2HG   GLN  21          2HG       GLN  21  48.337   6.061   6.646
  138   1HE2  GLN  21          1HE2      GLN  21  46.330   5.474   3.781
  139   2HE2  GLN  21          2HE2      GLN  21  47.577   5.814   2.627
  140    H    CYS  22           H        CYS  22  49.111   2.703   4.150
  141    HA   CYS  22           HA       CYS  22  46.936   1.117   2.954
  142   1HB   CYS  22          1HB       CYS  22  49.036   2.871   1.695
  143   2HB   CYS  22          2HB       CYS  22  48.251   1.592   0.776
  144    H    ASN  23           H        ASN  23  50.120   1.189   4.177
  145    HA   ASN  23           HA       ASN  23  51.181  -1.025   2.786
  146   1HB   ASN  23          1HB       ASN  23  52.270   1.002   4.025
  147   2HB   ASN  23          2HB       ASN  23  52.130  -0.045   5.431
  148   1HD2  ASN  23          1HD2      ASN  23  54.475   0.756   4.776
  149   2HD2  ASN  23          2HD2      ASN  23  55.420  -0.507   4.064
  150    H    ASN  24           H        ASN  24  48.835  -2.017   3.571
  151    HA   ASN  24           HA       ASN  24  49.530  -3.679   5.883
  152   1HB   ASN  24          1HB       ASN  24  46.838  -4.004   5.709
  153   2HB   ASN  24          2HB       ASN  24  47.654  -2.952   6.835
  154   1HD2  ASN  24          1HD2      ASN  24  48.273  -0.757   5.600
  155   2HD2  ASN  24          2HD2      ASN  24  46.913  -0.010   4.828
  156    H    HIS  25           H        HIS  25  47.990  -5.638   5.892
  157    HA   HIS  25           HA       HIS  25  48.779  -7.189   3.599
  158   1HB   HIS  25          1HB       HIS  25  49.078  -8.059   5.833
  159   2HB   HIS  25          2HB       HIS  25  47.362  -7.855   6.178
  160    HD1  HIS  25           HD1      HIS  25  47.347 -10.465   6.710
  161    HD2  HIS  25           HD2      HIS  25  48.138  -9.433   2.770
  162    HE1  HIS  25           HE1      HIS  25  47.035 -12.585   5.390
  163    HE2  HIS  25           HE2      HIS  25  47.431 -11.916   2.991
  164    H    ALA  26           H        ALA  26  45.906  -5.763   4.941
  165    HA   ALA  26           HA       ALA  26  44.150  -7.251   3.178
  166   1HB   ALA  26          1HB       ALA  26  42.342  -6.203   4.348
  167   2HB   ALA  26          2HB       ALA  26  43.450  -5.078   5.134
  168   3HB   ALA  26          3HB       ALA  26  43.521  -6.799   5.517
  169    H    CYS  27           H        CYS  27  45.895  -4.282   3.015
  170    HA   CYS  27           HA       CYS  27  43.953  -3.227   1.075
  171   1HB   CYS  27          1HB       CYS  27  46.074  -1.978   2.752
  172   2HB   CYS  27          2HB       CYS  27  45.692  -1.231   1.205
  173    H    GLY  28           H        GLY  28  47.155  -4.523   1.405
  174   1HA   GLY  28          1HA       GLY  28  47.848  -5.631  -0.757
  175   2HA   GLY  28          2HA       GLY  28  47.578  -4.053  -1.486
  176    H    TRP  29           H        TRP  29  48.783  -3.588   1.589
  177    HA   TRP  29           HA       TRP  29  50.757  -3.051   2.444
  178   1HB   TRP  29          1HB       TRP  29  51.777  -4.801   0.196
  179   2HB   TRP  29          2HB       TRP  29  52.826  -4.086   1.417
  180    HD1  TRP  29           HD1      TRP  29  51.182  -7.235   0.799
  181    HE1  TRP  29           HE1      TRP  29  50.816  -8.505   3.016
  182    HE3  TRP  29           HE3      TRP  29  51.925  -3.456   4.063
  183    HZ2  TRP  29           HZ2      TRP  29  50.851  -7.976   5.726
  184    HZ3  TRP  29           HZ3      TRP  29  51.698  -3.862   6.447
  185    HH2  TRP  29           HH2      TRP  29  51.185  -6.115   7.289
  186    H    ASP  30           H        ASP  30  49.457  -1.254   0.839
  187    HA   ASP  30           HA       ASP  30  49.676   0.630  -0.415
  188   1HB   ASP  30          1HB       ASP  30  50.858   1.242   1.652
  189   2HB   ASP  30          2HB       ASP  30  52.356   0.636   0.983
  190    H    GLY  31           H        GLY  31  50.602  -1.897  -1.669
  191   1HA   GLY  31          1HA       GLY  31  51.442  -2.495  -3.717
  192   2HA   GLY  31          2HA       GLY  31  51.616  -0.784  -4.065
  193    H    GLY  32           H        GLY  32  53.337  -1.136  -1.314
  194   1HA   GLY  32          1HA       GLY  32  55.541  -1.939  -0.904
  195   2HA   GLY  32          2HA       GLY  32  55.752  -2.144  -2.640
  196    H    ASP  33           H        ASP  33  54.333   0.707  -1.240
  197    HA   ASP  33           HA       ASP  33  56.410   2.337  -2.420
  198   1HB   ASP  33          1HB       ASP  33  53.969   3.232  -0.888
  199   2HB   ASP  33          2HB       ASP  33  54.942   4.174  -2.004
  200    H    CYS  34           H        CYS  34  55.000   1.740   0.784
  201    HA   CYS  34           HA       CYS  34  56.898   3.480   2.075
  202   1HB   CYS  34          1HB       CYS  34  54.624   1.801   2.912
  203   2HB   CYS  34          2HB       CYS  34  55.931   1.874   4.082
  204    H    SER  35           H        SER  35  56.258  -0.019   2.321
  205    HA   SER  35           HA       SER  35  57.613  -1.808   2.696
  206   1HB   SER  35          1HB       SER  35  58.709  -0.850   0.609
  207   2HB   SER  35          2HB       SER  35  59.897  -0.112   1.683
  208    HG   SER  35           HG       SER  35  60.671  -2.099   0.993
  Start of MODEL   15
    1   1H    GLU   1          1H        GLU   1  37.745  -5.867   7.500
    2   2H    GLU   1          2H        GLU   1  38.656  -6.052   8.942
    3   3H    GLU   1          3H        GLU   1  37.057  -6.668   8.850
    4    HA   GLU   1           HA       GLU   1  38.829  -8.337   8.666
    5   1HB   GLU   1          1HB       GLU   1  36.394  -8.282   7.649
    6   2HB   GLU   1          2HB       GLU   1  37.260  -8.238   6.120
    7   1HG   GLU   1          1HG       GLU   1  37.992 -10.371   6.309
    8   2HG   GLU   1          2HG       GLU   1  38.094 -10.297   8.068
    9    H    GLU   2           H        GLU   2  39.876  -9.527   6.673
   10    HA   GLU   2           HA       GLU   2  41.964  -7.800   5.745
   11   1HB   GLU   2          1HB       GLU   2  41.895 -10.421   6.329
   12   2HB   GLU   2          2HB       GLU   2  41.665 -10.517   4.589
   13   1HG   GLU   2          1HG       GLU   2  43.943 -10.665   4.767
   14   2HG   GLU   2          2HG       GLU   2  43.722  -8.937   4.495
   15    H    ALA   3           H        ALA   3  40.137  -6.460   4.655
   16    HA   ALA   3           HA       ALA   3  40.178  -7.162   1.822
   17   1HB   ALA   3          1HB       ALA   3  37.936  -7.163   1.496
   18   2HB   ALA   3          2HB       ALA   3  37.642  -5.992   2.782
   19   3HB   ALA   3          3HB       ALA   3  37.932  -7.686   3.180
   20    H    CYS   4           H        CYS   4  41.365  -5.147   3.797
   21    HA   CYS   4           HA       CYS   4  42.065  -2.985   3.706
   22   1HB   CYS   4          1HB       CYS   4  42.489  -3.750   1.347
   23   2HB   CYS   4          2HB       CYS   4  40.962  -3.015   0.901
   24    H    GLU   5           H        GLU   5  41.262  -1.006   4.293
   25    HA   GLU   5           HA       GLU   5  38.389  -0.574   3.887
   26   1HB   GLU   5          1HB       GLU   5  38.303   0.522   6.072
   27   2HB   GLU   5          2HB       GLU   5  38.868  -1.136   6.225
   28   1HG   GLU   5          1HG       GLU   5  41.229   0.059   6.029
   29   2HG   GLU   5          2HG       GLU   5  40.303   1.413   6.678
   30    H    LEU   6           H        LEU   6  41.039   0.362   2.595
   31    HA   LEU   6           HA       LEU   6  40.361   3.225   2.622
   32   1HB   LEU   6          1HB       LEU   6  42.977   1.828   2.739
   33   2HB   LEU   6          2HB       LEU   6  42.889   3.310   1.806
   34    HG   LEU   6           HG       LEU   6  41.840   4.328   3.950
   35   1HD1  LEU   6          1HD1      LEU   6  43.146   3.049   5.904
   36   2HD1  LEU   6          2HD1      LEU   6  42.763   1.677   4.865
   37   3HD1  LEU   6          3HD1      LEU   6  41.468   2.706   5.479
   38   1HD2  LEU   6          1HD2      LEU   6  44.006   4.979   4.730
   39   2HD2  LEU   6          2HD2      LEU   6  44.074   4.841   2.973
   40   3HD2  LEU   6          3HD2      LEU   6  44.755   3.567   3.984
   41    HA   PRO   7           HA       PRO   7  39.534   2.109  -1.652
   42   1HB   PRO   7          1HB       PRO   7  38.249   4.436  -2.235
   43   2HB   PRO   7          2HB       PRO   7  37.458   3.079  -1.425
   44   1HG   PRO   7          1HG       PRO   7  38.570   5.595  -0.262
   45   2HG   PRO   7          2HG       PRO   7  37.083   4.726   0.157
   46   1HD   PRO   7          1HD       PRO   7  39.373   4.556   1.622
   47   2HD   PRO   7          2HD       PRO   7  38.192   3.236   1.520
   48    H    GLU   8           H        GLU   8  41.448   4.458  -0.156
   49    HA   GLU   8           HA       GLU   8  42.295   5.811  -2.563
   50   1HB   GLU   8          1HB       GLU   8  44.020   6.826  -1.046
   51   2HB   GLU   8          2HB       GLU   8  42.353   7.111  -0.571
   52   1HG   GLU   8          1HG       GLU   8  43.526   4.730   0.637
   53   2HG   GLU   8          2HG       GLU   8  44.348   6.227   1.065
   54    H    CYS   9           H        CYS   9  43.536   3.230  -0.480
   55    HA   CYS   9           HA       CYS   9  46.100   3.008  -1.485
   56   1HB   CYS   9          1HB       CYS   9  44.331   0.683  -0.713
   57   2HB   CYS   9          2HB       CYS   9  46.093   0.747  -0.673
   58    H    GLN  10           H        GLN  10  43.100   2.226  -3.017
   59    HA   GLN  10           HA       GLN  10  43.958   0.341  -4.895
   60   1HB   GLN  10          1HB       GLN  10  41.881   2.480  -5.371
   61   2HB   GLN  10          2HB       GLN  10  41.998   0.915  -6.164
   62   1HG   GLN  10          1HG       GLN  10  41.845   0.536  -3.337
   63   2HG   GLN  10          2HG       GLN  10  40.537   1.594  -3.862
   64   1HE2  GLN  10          1HE2      GLN  10  39.750   0.707  -6.199
   65   2HE2  GLN  10          2HE2      GLN  10  39.244  -0.943  -6.136
   66    H    GLU  11           H        GLU  11  44.307   3.819  -4.787
   67    HA   GLU  11           HA       GLU  11  45.734   3.719  -7.369
   68   1HB   GLU  11          1HB       GLU  11  43.995   5.822  -6.133
   69   2HB   GLU  11          2HB       GLU  11  45.279   6.303  -7.234
   70   1HG   GLU  11          1HG       GLU  11  44.167   4.419  -8.736
   71   2HG   GLU  11          2HG       GLU  11  42.757   4.850  -7.770
   72    H    ASP  12           H        ASP  12  45.755   4.724  -4.051
   73    HA   ASP  12           HA       ASP  12  48.119   6.254  -4.104
   74   1HB   ASP  12          1HB       ASP  12  46.151   5.281  -2.192
   75   2HB   ASP  12          2HB       ASP  12  47.755   5.343  -1.536
   76    H    ALA  13           H        ALA  13  47.450   2.846  -3.887
   77    HA   ALA  13           HA       ALA  13  49.996   2.132  -2.765
   78   1HB   ALA  13          1HB       ALA  13  48.047   0.701  -2.437
   79   2HB   ALA  13          2HB       ALA  13  49.340  -0.172  -3.261
   80   3HB   ALA  13          3HB       ALA  13  47.953   0.418  -4.175
   81    H    GLY  14           H        GLY  14  51.874   2.007  -3.806
   82   1HA   GLY  14          1HA       GLY  14  53.364   1.511  -5.523
   83   2HA   GLY  14          2HA       GLY  14  52.000   1.092  -6.548
   84    H    ASN  15           H        ASN  15  52.636   4.148  -4.863
   85    HA   ASN  15           HA       ASN  15  52.695   5.498  -7.459
   86   1HB   ASN  15          1HB       ASN  15  51.900   7.485  -6.176
   87   2HB   ASN  15          2HB       ASN  15  50.756   6.149  -6.179
   88   1HD2  ASN  15          1HD2      ASN  15  49.921   7.399  -4.335
   89   2HD2  ASN  15          2HD2      ASN  15  50.579   7.066  -2.769
   90    H    LYS  16           H        LYS  16  54.794   4.283  -5.543
   91    HA   LYS  16           HA       LYS  16  56.948   4.657  -5.050
   92   1HB   LYS  16          1HB       LYS  16  56.909   7.331  -6.367
   93   2HB   LYS  16          2HB       LYS  16  58.174   6.104  -6.368
   94   1HG   LYS  16          1HG       LYS  16  55.631   6.155  -7.962
   95   2HG   LYS  16          2HG       LYS  16  57.291   6.144  -8.538
   96   1HD   LYS  16          1HD       LYS  16  57.268   3.857  -7.112
   97   2HD   LYS  16          2HD       LYS  16  55.585   3.920  -7.643
   98   1HE   LYS  16          1HE       LYS  16  56.659   4.450  -9.972
   99   2HE   LYS  16          2HE       LYS  16  58.084   3.692  -9.261
  100   1HZ   LYS  16          1HZ       LYS  16  57.130   1.667  -9.286
  101   2HZ   LYS  16          2HZ       LYS  16  56.193   2.334 -10.526
  102   3HZ   LYS  16          3HZ       LYS  16  55.577   2.253  -8.953
  103    H    VAL  17           H        VAL  17  54.565   6.093  -3.626
  104    HA   VAL  17           HA       VAL  17  56.109   8.074  -2.124
  105    HB   VAL  17           HB       VAL  17  53.190   7.544  -1.661
  106   1HG1  VAL  17          1HG1      VAL  17  54.335  10.264  -1.679
  107   2HG1  VAL  17          2HG1      VAL  17  54.923   9.189  -0.412
  108   3HG1  VAL  17          3HG1      VAL  17  53.197   9.517  -0.557
  109   1HG2  VAL  17          1HG2      VAL  17  54.129   9.542  -3.692
  110   2HG2  VAL  17          2HG2      VAL  17  52.506   8.906  -3.431
  111   3HG2  VAL  17          3HG2      VAL  17  53.747   7.885  -4.154
  112    H    CYS  18           H        CYS  18  54.038   7.481   0.126
  113    HA   CYS  18           HA       CYS  18  54.771   4.933   1.150
  114   1HB   CYS  18          1HB       CYS  18  56.851   6.128   1.609
  115   2HB   CYS  18          2HB       CYS  18  55.945   7.409   2.403
  116    H    SER  19           H        SER  19  52.803   4.431   1.774
  117    HA   SER  19           HA       SER  19  51.439   6.186   3.703
  118   1HB   SER  19          1HB       SER  19  49.378   4.775   2.543
  119   2HB   SER  19          2HB       SER  19  49.820   6.433   2.134
  120    HG   SER  19           HG       SER  19  50.690   5.770   0.307
  121    H    LEU  20           H        LEU  20  51.640   5.243   5.548
  122    HA   LEU  20           HA       LEU  20  52.083   2.495   5.987
  123   1HB   LEU  20          1HB       LEU  20  51.152   4.716   7.791
  124   2HB   LEU  20          2HB       LEU  20  51.623   3.123   8.369
  125    HG   LEU  20           HG       LEU  20  53.506   4.753   6.724
  126   1HD1  LEU  20          1HD1      LEU  20  52.457   5.904   8.895
  127   2HD1  LEU  20          2HD1      LEU  20  54.139   6.121   8.413
  128   3HD1  LEU  20          3HD1      LEU  20  53.725   4.950   9.665
  129   1HD2  LEU  20          1HD2      LEU  20  53.626   2.390   8.496
  130   2HD2  LEU  20          2HD2      LEU  20  55.005   3.488   8.540
  131   3HD2  LEU  20          3HD2      LEU  20  54.516   2.746   7.016
  132    H    GLN  21           H        GLN  21  49.252   4.522   6.005
  133    HA   GLN  21           HA       GLN  21  47.456   2.629   7.109
  134   1HB   GLN  21          1HB       GLN  21  45.925   4.282   5.433
  135   2HB   GLN  21          2HB       GLN  21  46.150   4.432   7.165
  136   1HG   GLN  21          1HG       GLN  21  46.600   6.537   6.156
  137   2HG   GLN  21          2HG       GLN  21  48.123   5.869   6.735
  138   1HE2  GLN  21          1HE2      GLN  21  46.234   5.278   3.791
  139   2HE2  GLN  21          2HE2      GLN  21  47.505   5.691   2.687
  140    H    CYS  22           H        CYS  22  49.068   2.587   4.173
  141    HA   CYS  22           HA       CYS  22  46.991   0.873   2.983
  142   1HB   CYS  22          1HB       CYS  22  48.994   2.730   1.710
  143   2HB   CYS  22          2HB       CYS  22  48.235   1.430   0.798
  144    H    ASN  23           H        ASN  23  50.166   1.114   4.206
  145    HA   ASN  23           HA       ASN  23  51.351  -1.023   2.794
  146   1HB   ASN  23          1HB       ASN  23  52.332   1.047   4.035
  147   2HB   ASN  23          2HB       ASN  23  52.231   0.004   5.448
  148   1HD2  ASN  23          1HD2      ASN  23  54.539   0.905   4.838
  149   2HD2  ASN  23          2HD2      ASN  23  55.556  -0.306   4.135
  150    H    ASN  24           H        ASN  24  49.049  -2.134   3.584
  151    HA   ASN  24           HA       ASN  24  49.839  -3.791   5.869
  152   1HB   ASN  24          1HB       ASN  24  47.162  -4.238   5.706
  153   2HB   ASN  24          2HB       ASN  24  47.937  -3.163   6.840
  154   1HD2  ASN  24          1HD2      ASN  24  48.446  -0.931   5.643
  155   2HD2  ASN  24          2HD2      ASN  24  47.052  -0.234   4.885
  156    H    HIS  25           H        HIS  25  48.394  -5.818   5.868
  157    HA   HIS  25           HA       HIS  25  49.227  -7.309   3.548
  158   1HB   HIS  25          1HB       HIS  25  49.588  -8.190   5.771
  159   2HB   HIS  25          2HB       HIS  25  47.868  -8.069   6.132
  160    HD1  HIS  25           HD1      HIS  25  47.997 -10.688   6.632
  161    HD2  HIS  25           HD2      HIS  25  48.661  -9.561   2.695
  162    HE1  HIS  25           HE1      HIS  25  47.761 -12.800   5.285
  163    HE2  HIS  25           HE2      HIS  25  48.071 -12.076   2.890
  164    H    ALA  26           H        ALA  26  46.317  -6.006   4.928
  165    HA   ALA  26           HA       ALA  26  44.597  -7.558   3.185
  166   1HB   ALA  26          1HB       ALA  26  42.764  -6.435   4.353
  167   2HB   ALA  26          2HB       ALA  26  43.937  -5.461   5.238
  168   3HB   ALA  26          3HB       ALA  26  43.892  -7.210   5.467
  169    H    CYS  27           H        CYS  27  46.211  -4.506   3.027
  170    HA   CYS  27           HA       CYS  27  44.215  -3.540   1.100
  171   1HB   CYS  27          1HB       CYS  27  46.290  -2.198   2.763
  172   2HB   CYS  27          2HB       CYS  27  45.858  -1.465   1.223
  173    H    GLY  28           H        GLY  28  47.474  -4.697   1.399
  174   1HA   GLY  28          1HA       GLY  28  48.196  -5.760  -0.776
  175   2HA   GLY  28          2HA       GLY  28  47.852  -4.193  -1.493
  176    H    TRP  29           H        TRP  29  49.058  -3.688   1.573
  177    HA   TRP  29           HA       TRP  29  51.012  -3.074   2.420
  178   1HB   TRP  29          1HB       TRP  29  52.097  -4.755   0.151
  179   2HB   TRP  29          2HB       TRP  29  53.119  -4.005   1.373
  180    HD1  TRP  29           HD1      TRP  29  51.616  -7.217   0.732
  181    HE1  TRP  29           HE1      TRP  29  51.322  -8.525   2.936
  182    HE3  TRP  29           HE3      TRP  29  52.203  -3.442   4.034
  183    HZ2  TRP  29           HZ2      TRP  29  51.348  -8.025   5.650
  184    HZ3  TRP  29           HZ3      TRP  29  52.008  -3.884   6.415
  185    HH2  TRP  29           HH2      TRP  29  51.603  -6.168   7.233
  186    H    ASP  30           H        ASP  30  49.610  -1.346   0.802
  187    HA   ASP  30           HA       ASP  30  49.735   0.551  -0.451
  188   1HB   ASP  30          1HB       ASP  30  50.855   1.189   1.660
  189   2HB   ASP  30          2HB       ASP  30  52.397   0.741   0.966
  190    H    GLY  31           H        GLY  31  50.798  -1.887  -1.713
  191   1HA   GLY  31          1HA       GLY  31  51.742  -2.452  -3.720
  192   2HA   GLY  31          2HA       GLY  31  51.774  -0.738  -4.089
  193    H    GLY  32           H        GLY  32  53.484  -1.243  -1.249
  194   1HA   GLY  32          1HA       GLY  32  55.745  -1.728  -0.839
  195   2HA   GLY  32          2HA       GLY  32  55.990  -1.937  -2.569
  196    H    ASP  33           H        ASP  33  54.349   0.781  -1.157
  197    HA   ASP  33           HA       ASP  33  56.239   2.601  -2.382
  198   1HB   ASP  33          1HB       ASP  33  53.545   2.836  -1.115
  199   2HB   ASP  33          2HB       ASP  33  54.533   4.273  -1.312
  200    H    CYS  34           H        CYS  34  54.953   1.909   0.851
  201    HA   CYS  34           HA       CYS  34  56.754   3.772   2.105
  202   1HB   CYS  34          1HB       CYS  34  54.594   1.961   2.973
  203   2HB   CYS  34          2HB       CYS  34  55.906   2.118   4.131
  204    H    SER  35           H        SER  35  56.329   0.245   2.376
  205    HA   SER  35           HA       SER  35  59.017  -0.423   1.918
  206   1HB   SER  35          1HB       SER  35  59.786  -0.968   4.171
  207   2HB   SER  35          2HB       SER  35  59.384   0.746   4.072
  208    HG   SER  35           HG       SER  35  57.699  -1.291   5.110
  Start of MODEL   16
    1   1H    GLU   1          1H        GLU   1  37.779 -10.084   9.241
    2   2H    GLU   1          2H        GLU   1  39.457  -9.941   9.573
    3   3H    GLU   1          3H        GLU   1  38.918 -10.242   7.971
    4    HA   GLU   1           HA       GLU   1  37.717  -8.103   8.085
    5   1HB   GLU   1          1HB       GLU   1  38.480  -6.531   9.800
    6   2HB   GLU   1          2HB       GLU   1  37.732  -7.943  10.534
    7   1HG   GLU   1          1HG       GLU   1  40.621  -8.185  10.184
    8   2HG   GLU   1          2HG       GLU   1  40.133  -6.867  11.247
    9    H    GLU   2           H        GLU   2  39.397  -9.155   6.365
   10    HA   GLU   2           HA       GLU   2  41.562  -7.173   6.144
   11   1HB   GLU   2          1HB       GLU   2  42.893  -8.961   4.967
   12   2HB   GLU   2          2HB       GLU   2  42.664  -9.212   6.692
   13   1HG   GLU   2          1HG       GLU   2  41.421 -11.065   6.397
   14   2HG   GLU   2          2HG       GLU   2  40.651 -10.450   4.936
   15    H    ALA   3           H        ALA   3  39.979  -5.988   4.881
   16    HA   ALA   3           HA       ALA   3  40.019  -6.841   2.087
   17   1HB   ALA   3          1HB       ALA   3  37.789  -7.368   3.341
   18   2HB   ALA   3          2HB       ALA   3  37.753  -6.671   1.722
   19   3HB   ALA   3          3HB       ALA   3  37.497  -5.642   3.132
   20    H    CYS   4           H        CYS   4  41.227  -4.743   3.958
   21    HA   CYS   4           HA       CYS   4  41.958  -2.599   3.762
   22   1HB   CYS   4          1HB       CYS   4  42.378  -3.508   1.447
   23   2HB   CYS   4          2HB       CYS   4  40.880  -2.746   0.953
   24    H    GLU   5           H        GLU   5  41.176  -0.597   4.267
   25    HA   GLU   5           HA       GLU   5  38.317  -0.129   3.785
   26   1HB   GLU   5          1HB       GLU   5  38.352   1.191   5.929
   27   2HB   GLU   5          2HB       GLU   5  38.558  -0.544   6.120
   28   1HG   GLU   5          1HG       GLU   5  40.744  -0.359   6.763
   29   2HG   GLU   5          2HG       GLU   5  40.982   1.162   5.904
   30    H    LEU   6           H        LEU   6  40.989   0.713   2.486
   31    HA   LEU   6           HA       LEU   6  40.356   3.587   2.396
   32   1HB   LEU   6          1HB       LEU   6  42.950   2.170   2.635
   33   2HB   LEU   6          2HB       LEU   6  42.903   3.604   1.624
   34    HG   LEU   6           HG       LEU   6  41.697   4.584   3.817
   35   1HD1  LEU   6          1HD1      LEU   6  43.796   3.022   5.176
   36   2HD1  LEU   6          2HD1      LEU   6  42.318   2.151   4.767
   37   3HD1  LEU   6          3HD1      LEU   6  42.239   3.598   5.772
   38   1HD2  LEU   6          1HD2      LEU   6  43.463   5.805   2.996
   39   2HD2  LEU   6          2HD2      LEU   6  44.558   4.423   2.994
   40   3HD2  LEU   6          3HD2      LEU   6  44.136   5.211   4.514
   41    HA   PRO   7           HA       PRO   7  39.562   2.334  -1.852
   42   1HB   PRO   7          1HB       PRO   7  38.580   5.095  -2.069
   43   2HB   PRO   7          2HB       PRO   7  37.714   3.580  -2.329
   44   1HG   PRO   7          1HG       PRO   7  37.229   5.170  -0.203
   45   2HG   PRO   7          2HG       PRO   7  37.084   3.404  -0.124
   46   1HD   PRO   7          1HD       PRO   7  39.296   5.169   0.852
   47   2HD   PRO   7          2HD       PRO   7  38.594   3.718   1.604
   48    H    GLU   8           H        GLU   8  41.539   4.676  -0.405
   49    HA   GLU   8           HA       GLU   8  42.511   5.902  -2.826
   50   1HB   GLU   8          1HB       GLU   8  44.124   5.990  -0.332
   51   2HB   GLU   8          2HB       GLU   8  43.766   7.269  -1.482
   52   1HG   GLU   8          1HG       GLU   8  41.310   6.791  -0.423
   53   2HG   GLU   8          2HG       GLU   8  42.362   6.473   0.955
   54    H    CYS   9           H        CYS   9  43.620   3.362  -0.621
   55    HA   CYS   9           HA       CYS   9  46.169   2.973  -1.591
   56   1HB   CYS   9          1HB       CYS   9  44.300   0.763  -0.728
   57   2HB   CYS   9          2HB       CYS   9  46.062   0.761  -0.667
   58    H    GLN  10           H        GLN  10  43.156   2.248  -3.124
   59    HA   GLN  10           HA       GLN  10  43.979   0.238  -4.896
   60   1HB   GLN  10          1HB       GLN  10  41.649   1.736  -4.446
   61   2HB   GLN  10          2HB       GLN  10  42.076   2.035  -6.126
   62   1HG   GLN  10          1HG       GLN  10  42.233  -0.774  -5.318
   63   2HG   GLN  10          2HG       GLN  10  40.619  -0.073  -5.234
   64   1HE2  GLN  10          1HE2      GLN  10  40.505   1.602  -7.305
   65   2HE2  GLN  10          2HE2      GLN  10  40.723   0.764  -8.800
   66    H    GLU  11           H        GLU  11  44.419   3.705  -4.943
   67    HA   GLU  11           HA       GLU  11  45.828   3.454  -7.525
   68   1HB   GLU  11          1HB       GLU  11  44.362   5.810  -6.331
   69   2HB   GLU  11          2HB       GLU  11  45.424   5.941  -7.726
   70   1HG   GLU  11          1HG       GLU  11  43.966   4.199  -8.834
   71   2HG   GLU  11          2HG       GLU  11  42.834   4.441  -7.503
   72    H    ASP  12           H        ASP  12  45.896   4.606  -4.255
   73    HA   ASP  12           HA       ASP  12  48.300   6.063  -4.378
   74   1HB   ASP  12          1HB       ASP  12  46.325   5.207  -2.417
   75   2HB   ASP  12          2HB       ASP  12  47.936   5.254  -1.777
   76    H    ALA  13           H        ALA  13  47.529   2.684  -3.943
   77    HA   ALA  13           HA       ALA  13  50.051   1.932  -2.830
   78   1HB   ALA  13          1HB       ALA  13  48.007   0.585  -2.535
   79   2HB   ALA  13          2HB       ALA  13  49.341  -0.350  -3.211
   80   3HB   ALA  13          3HB       ALA  13  48.033   0.203  -4.256
   81    H    GLY  14           H        GLY  14  51.936   1.838  -3.857
   82   1HA   GLY  14          1HA       GLY  14  53.437   1.240  -5.538
   83   2HA   GLY  14          2HA       GLY  14  52.081   0.810  -6.565
   84    H    ASN  15           H        ASN  15  52.753   3.903  -4.965
   85    HA   ASN  15           HA       ASN  15  52.853   5.176  -7.598
   86   1HB   ASN  15          1HB       ASN  15  52.084   7.213  -6.382
   87   2HB   ASN  15          2HB       ASN  15  50.915   5.896  -6.350
   88   1HD2  ASN  15          1HD2      ASN  15  50.083   7.193  -4.546
   89   2HD2  ASN  15          2HD2      ASN  15  50.735   6.905  -2.968
   90    H    LYS  16           H        LYS  16  54.912   3.987  -5.612
   91    HA   LYS  16           HA       LYS  16  57.068   4.337  -5.113
   92   1HB   LYS  16          1HB       LYS  16  57.093   6.962  -6.525
   93   2HB   LYS  16          2HB       LYS  16  58.335   5.713  -6.467
   94   1HG   LYS  16          1HG       LYS  16  55.811   5.754  -8.091
   95   2HG   LYS  16          2HG       LYS  16  57.476   5.687  -8.646
   96   1HD   LYS  16          1HD       LYS  16  57.394   3.457  -7.137
   97   2HD   LYS  16          2HD       LYS  16  55.717   3.533  -7.684
   98   1HE   LYS  16          1HE       LYS  16  56.258   3.049  -9.817
   99   2HE   LYS  16          2HE       LYS  16  57.730   4.019  -9.771
  100   1HZ   LYS  16          1HZ       LYS  16  58.414   2.014  -8.167
  101   2HZ   LYS  16          2HZ       LYS  16  58.697   2.005  -9.834
  102   3HZ   LYS  16          3HZ       LYS  16  57.352   1.197  -9.201
  103    H    VAL  17           H        VAL  17  54.698   5.873  -3.769
  104    HA   VAL  17           HA       VAL  17  56.265   7.874  -2.318
  105    HB   VAL  17           HB       VAL  17  53.333   7.424  -1.860
  106   1HG1  VAL  17          1HG1      VAL  17  54.535  10.115  -1.999
  107   2HG1  VAL  17          2HG1      VAL  17  55.093   9.089  -0.677
  108   3HG1  VAL  17          3HG1      VAL  17  53.375   9.447  -0.850
  109   1HG2  VAL  17          1HG2      VAL  17  54.299   9.326  -3.966
  110   2HG2  VAL  17          2HG2      VAL  17  52.676   8.689  -3.699
  111   3HG2  VAL  17          3HG2      VAL  17  53.932   7.649  -4.369
  112    H    CYS  18           H        CYS  18  54.158   7.408  -0.073
  113    HA   CYS  18           HA       CYS  18  54.828   4.880   1.046
  114   1HB   CYS  18          1HB       CYS  18  56.919   6.060   1.498
  115   2HB   CYS  18          2HB       CYS  18  56.021   7.379   2.235
  116    H    SER  19           H        SER  19  52.843   4.428   1.655
  117    HA   SER  19           HA       SER  19  51.471   6.274   3.492
  118   1HB   SER  19          1HB       SER  19  50.423   4.884   1.062
  119   2HB   SER  19          2HB       SER  19  49.353   5.013   2.458
  120    HG   SER  19           HG       SER  19  50.148   6.930   0.692
  121    H    LEU  20           H        LEU  20  51.635   5.408   5.378
  122    HA   LEU  20           HA       LEU  20  52.045   2.674   5.936
  123   1HB   LEU  20          1HB       LEU  20  51.118   4.978   7.636
  124   2HB   LEU  20          2HB       LEU  20  51.570   3.407   8.285
  125    HG   LEU  20           HG       LEU  20  53.487   4.931   6.584
  126   1HD1  LEU  20          1HD1      LEU  20  52.860   5.450   9.478
  127   2HD1  LEU  20          2HD1      LEU  20  52.922   6.605   8.146
  128   3HD1  LEU  20          3HD1      LEU  20  54.409   5.871   8.747
  129   1HD2  LEU  20          1HD2      LEU  20  54.373   2.861   7.023
  130   2HD2  LEU  20          2HD2      LEU  20  53.598   2.743   8.603
  131   3HD2  LEU  20          3HD2      LEU  20  55.008   3.780   8.388
  132    H    GLN  21           H        GLN  21  49.233   4.729   5.839
  133    HA   GLN  21           HA       GLN  21  47.413   2.888   6.998
  134   1HB   GLN  21          1HB       GLN  21  45.889   4.497   5.286
  135   2HB   GLN  21          2HB       GLN  21  46.143   4.720   7.006
  136   1HG   GLN  21          1HG       GLN  21  46.593   6.773   5.889
  137   2HG   GLN  21          2HG       GLN  21  48.115   6.124   6.492
  138   1HE2  GLN  21          1HE2      GLN  21  46.206   5.402   3.588
  139   2HE2  GLN  21          2HE2      GLN  21  47.474   5.753   2.460
  140    H    CYS  22           H        CYS  22  49.047   2.733   4.085
  141    HA   CYS  22           HA       CYS  22  46.953   1.020   2.924
  142   1HB   CYS  22          1HB       CYS  22  49.003   2.802   1.617
  143   2HB   CYS  22          2HB       CYS  22  48.219   1.496   0.736
  144    H    ASN  23           H        ASN  23  50.117   1.243   4.179
  145    HA   ASN  23           HA       ASN  23  51.283  -0.952   2.838
  146   1HB   ASN  23          1HB       ASN  23  52.283   1.139   4.030
  147   2HB   ASN  23          2HB       ASN  23  52.150   0.140   5.472
  148   1HD2  ASN  23          1HD2      ASN  23  54.476   0.982   4.875
  149   2HD2  ASN  23          2HD2      ASN  23  55.484  -0.261   4.215
  150    H    ASN  24           H        ASN  24  48.947  -1.995   3.646
  151    HA   ASN  24           HA       ASN  24  49.696  -3.601   5.980
  152   1HB   ASN  24          1HB       ASN  24  47.010  -4.001   5.818
  153   2HB   ASN  24          2HB       ASN  24  47.802  -2.910   6.926
  154   1HD2  ASN  24          1HD2      ASN  24  48.361  -0.723   5.663
  155   2HD2  ASN  24          2HD2      ASN  24  46.982  -0.020   4.882
  156    H    HIS  25           H        HIS  25  48.211  -5.601   6.028
  157    HA   HIS  25           HA       HIS  25  49.029  -7.172   3.758
  158   1HB   HIS  25          1HB       HIS  25  49.349  -7.999   6.007
  159   2HB   HIS  25          2HB       HIS  25  47.629  -7.829   6.349
  160    HD1  HIS  25           HD1      HIS  25  47.686 -10.432   6.925
  161    HD2  HIS  25           HD2      HIS  25  48.427  -9.441   2.965
  162    HE1  HIS  25           HE1      HIS  25  47.417 -12.578   5.638
  163    HE2  HIS  25           HE2      HIS  25  47.776 -11.933   3.228
  164    H    ALA  26           H        ALA  26  46.129  -5.783   5.082
  165    HA   ALA  26           HA       ALA  26  44.403  -7.337   3.348
  166   1HB   ALA  26          1HB       ALA  26  43.808  -5.244   5.420
  167   2HB   ALA  26          2HB       ALA  26  43.614  -6.991   5.566
  168   3HB   ALA  26          3HB       ALA  26  42.580  -6.077   4.467
  169    H    CYS  27           H        CYS  27  46.079  -4.327   3.140
  170    HA   CYS  27           HA       CYS  27  44.114  -3.350   1.185
  171   1HB   CYS  27          1HB       CYS  27  46.210  -2.028   2.834
  172   2HB   CYS  27          2HB       CYS  27  45.834  -1.324   1.266
  173    H    GLY  28           H        GLY  28  47.339  -4.585   1.525
  174   1HA   GLY  28          1HA       GLY  28  48.047  -5.723  -0.615
  175   2HA   GLY  28          2HA       GLY  28  47.743  -4.168  -1.377
  176    H    TRP  29           H        TRP  29  48.946  -3.609   1.680
  177    HA   TRP  29           HA       TRP  29  50.908  -3.009   2.519
  178   1HB   TRP  29          1HB       TRP  29  51.966  -4.783   0.308
  179   2HB   TRP  29          2HB       TRP  29  52.998  -4.020   1.513
  180    HD1  TRP  29           HD1      TRP  29  51.431  -7.216   0.959
  181    HE1  TRP  29           HE1      TRP  29  51.095  -8.451   3.201
  182    HE3  TRP  29           HE3      TRP  29  52.075  -3.355   4.152
  183    HZ2  TRP  29           HZ2      TRP  29  51.115  -7.868   5.899
  184    HZ3  TRP  29           HZ3      TRP  29  51.857  -3.722   6.544
  185    HH2  TRP  29           HH2      TRP  29  51.398  -5.970   7.427
  186    H    ASP  30           H        ASP  30  49.550  -1.307   0.836
  187    HA   ASP  30           HA       ASP  30  49.720   0.536  -0.490
  188   1HB   ASP  30          1HB       ASP  30  50.820   1.232   1.616
  189   2HB   ASP  30          2HB       ASP  30  52.365   0.743   0.956
  190    H    GLY  31           H        GLY  31  50.749  -1.953  -1.657
  191   1HA   GLY  31          1HA       GLY  31  51.717  -2.605  -3.626
  192   2HA   GLY  31          2HA       GLY  31  51.788  -0.905  -4.052
  193    H    GLY  32           H        GLY  32  53.444  -1.347  -1.169
  194   1HA   GLY  32          1HA       GLY  32  55.688  -1.861  -0.706
  195   2HA   GLY  32          2HA       GLY  32  55.955  -2.133  -2.426
  196    H    ASP  33           H        ASP  33  54.349   0.659  -1.125
  197    HA   ASP  33           HA       ASP  33  56.286   2.404  -2.385
  198   1HB   ASP  33          1HB       ASP  33  53.583   2.734  -1.152
  199   2HB   ASP  33          2HB       ASP  33  54.598   4.142  -1.405
  200    H    CYS  34           H        CYS  34  54.944   1.846   0.852
  201    HA   CYS  34           HA       CYS  34  56.766   3.714   2.067
  202   1HB   CYS  34          1HB       CYS  34  54.559   1.979   2.967
  203   2HB   CYS  34          2HB       CYS  34  55.859   2.151   4.137
  204    H    SER  35           H        SER  35  56.266   0.205   2.427
  205    HA   SER  35           HA       SER  35  58.967  -0.501   2.060
  206   1HB   SER  35          1HB       SER  35  59.792  -0.841   4.234
  207   2HB   SER  35          2HB       SER  35  58.995   0.729   4.337
  208    HG   SER  35           HG       SER  35  57.444  -0.114   5.545