*HEADER   BETA-DEFENSIN 12                        08-MAR-95   1BNB 
*COMPND   MOL_ID: 1;                                 
*COMPND  2 MOLECULE: BOVINE NEUTROPHIL BETA-DEFENSIN 12;   
*COMPND  3 CHAIN: NULL                                   
*SOURCE   MOL_ID: 1;                          
*SOURCE  2 ORGANISM_SCIENTIFIC: BOS TAURUS;      
*SOURCE  3 ORGANISM_COMMON: BOVINE;         
*SOURCE  4 CELL: POLYMORPHONUCLEOCYTE     
*EXPDTA   NMR, 20 STRUCTURES                            
*AUTHOR   G.R.ZIMMERMANN,P.LEGAULT,M.E.SELSTED,A.PARDI   
*REVDAT  1   15-OCT-95 1BNB    0       

!
!             Distance Constraints 
!
!		            Inter-residue
! 	           Distances as of: 08/05/94
!***** This is the FINAL form of this file.  GRZ *****
!
!-----------------------------------------
!  Gly 1 (Ala)  Mutated to an alanine for technical reasons!
!	peak  3.99 - 3.60                 -P2d
!                   Distance=  2.53 0.73 0.25
!	peak  3.99 - 3.33                 -P2d
assign (resid 1 and name HA) (resid 2 and name HD*)  2.51 0.71 0.25
!-----------------------------------------
!  Pro 2
!-----------------------------------------
!  Leu 3
!	peak  8.47 - 4.35              -P2a
assign (resid 3 and name HN) (resid 2 and name HA)  2.40 0.60 0.24
!-----------------------------------------
!  Ser 4
!	peak  8.24 - 4.33              -L3a
assign (resid 4 and name HN) (resid 3 and name HA)  2.69 0.89 0.27
!-----------------------------------------
!  Cys 5
!       peak  8.27 - 4.23              -S4a
assign (resid 5 and name HN) (resid 4 and name HA)  2.42 0.62 0.24
!       peak  8.27 - 3.91              -S4b
assign (resid 5 and name HN) (resid 4 and name HB*)  3.22 1.42 0.32
!-----------------------------------------
!  Gly 6
!       peak  8.36 - 2.70  weak    -C5b
assign (resid 6 and name HN) (resid 5 and name HB*)  2.92 1.12 0.29
!	peak  8.36 - 8.03  medium  -R7NH
assign (resid 6 and name HN) (resid 7 and name HN)  3.24 1.44 0.32
!-----------------------------------------
!  Arg 7
!	peak  8.03 - 4.03          -G6A*
!                   Distance=  3.32 1.52 0.33
! *** This interaction covered by next constraint.
!	peak  8.03 - 3.91  medium  -G6A*
assign (resid 7 and name HN) (resid 6 and name HA*)  2.76 0.96 0.28
!	peak  8.02 - 7.53  medium  -N8NH
assign (resid 7 and name HN) (resid 8 and name HN)  2.60 0.80 0.26
!-----------------------------------------
!  Asn 8
!	peak  7.54 - 4.15               -R7a
assign (resid 8 and name HN) (resid 7 and name HA)  3.22 1.42 0.32
!	peak  7.54 - 1.86               -R7b
assign (resid 8 and name HN) (resid 7 and name HB*)  5.10 3.30 0.00
!	peak  7.54 - 3.18               -R7d
assign (resid 8 and name HN) (resid 7 and name HD*)  3.44 1.64 0.34
!	peak  2.77 - 0.54               -I24d
assign (resid 8 and name HB1) (resid 24 and name HD*)  2.58 0.78 0.52
!	peak  2.58 - 0.54               -I24d
assign (resid 8 and name HB2) (resid 24 and name HD*)  2.54 0.74 0.50
!-----------------------------------------
!  Gly 9
!       peak  7.88 - 4.04  weak    -G6A*
assign (resid 9 and name HN) (resid 6 and name HA*)  3.23 1.43 0.32
!	peak  7.88 - 7.53  medium  -N8HN
assign (resid 9 and name HN) (resid 8 and name HN)  2.38 0.58 0.24
!	peak  7.88 - 0.51  weak    -I24d
!-----------------------------------------
!  Gly 10
!	peak  8.07 - 4.14  weak    -G9A*
!                   Distance=  3.30 1.50 0.33
! *** This interaction covered by next constraint.
!	peak  8.07 - 3.90  weak    -G9A*
assign (resid 10 and name HN) (resid 9 and name HA*)  2.89 1.09 0.29
!	peak  8.07 - 4.03  weak    -G6A*
assign (resid 10 and name HN) (resid 6 and name HA*)  3.07 1.27 0.31
!	peak  8.07 - 7.87  strong  -G9HN
assign (resid 10 and name HN) (resid 9 and name HN)  2.34 0.54 0.23
!	peak  4.61 - 2.36                -R36hd*
assign (resid 10 and name HA*) (resid 36 and name HD*)  2.75 0.95 0.28
!-----------------------------------------
!  Val 11
!	peak  8.82 - 3.23               -G10A*
!	peak  8.82 - 4.57               -G10A*
assign (resid 11 and name HN) (resid 10 and name HA*)  2.68 0.88 0.27
!       peak  8.82 - 0.51               -I24d
assign (resid 11 and name HN) (resid 24 and name HD*)  3.02 1.22 0.60
!	peak  8.82 - 4.96               -C34ha
assign (resid 11 and name HN) (resid 34 and name HA)  5.10 3.30 0.00
!	peak  4.36 - 2.70               -C5HB*
assign (resid 11 and name HA) (resid 5 and name HB*)  2.54 0.74 0.25
!	peak  4.36 - 3.06               -C5HB*
!                           Distance=   2.83 1.03 0.28
!-----------------------------------------
!  Cys 12
!	peak  8.64 - 4.37                 -V11a
assign (resid 12 and name HN) (resid 11 and name HA)  2.17 0.34 0.22
!	peak  8.64 - 1.89                 -V11b
assign (resid 12 and name HN) (resid 11 and name HB)  2.74 0.94 0.27
!	peak  2.73 - 0.81                 -V32gS
assign (resid 12 and name HB1) (resid 32 and name HG1*)  2.32 0.52 0.46
!	peak  5.46 - 4.98                 -C34a
assign (resid 12 and name HA) (resid 34 and name HA)  2.45 0.65 0.24
!	peak  5.46 - 0.80                 -V32gS
assign (resid 12 and name HA) (resid 32 and name HG1*)  2.89 1.09 0.58
!-----------------------------------------
!  Ile 13
!	peak  9.48 - 5.43               -C12a
assign (resid 13 and name HN) (resid 12 and name HA)  2.16 0.36 0.22
!	peak  9.48 - 2.71               -C12b
assign (resid 13 and name HN) (resid 12 and name HB1)  5.10 3.30 0.00
!	peak  9.48 - 8.40               -K33HN
assign (resid 13 and name HN) (resid 33 and name HN)  5.10 3.30 0.00
!	peak  4.65 - 3.88               -P14d
assign (resid 13 and name HA) (resid 14 and name HD*)  2.23 0.43 0.22
!	peak  4.65 - 3.74               -P14d
!                   Distance=  2.43 0.63 0.24
! *** This interaction covered in previous constraint.
!-----------------------------------------
!  Pro 14
!	peak  4.47 - 4.22  strong  -V32a
assign (resid 14 and name HA) (resid 32 and name HA)  2.25 0.45 0.23
!	peak  4.46 - 0.90          -V32gR
assign (resid 14 and name HA) (resid 32 and name HG2*)  2.57 0.77 0.52
!	peak  4.46 - 0.81          -V32gS
assign (resid 14 and name HA) (resid 32 and name HG1*)  2.58 0.78 0.52
!	peak  3.88 - 1.08  weak    -I13HG2
!                   Distance=  2.66 0.86 0.27
! *** This interaction covered by the next constraint.
!	peak  3.73 - 1.08  weak    -I13HG2
assign (resid 14 and name HD*) (resid 13 and name HG2*)  2.53 0.73 0.50
!-----------------------------------------
!  Ile 15
!	peak  8.71 - 4.44                -P14a
assign (resid 15 and name HN) (resid 14 and name HA)  2.20 0.40 0.22
!	peak  8.71 - 2.45                -P14b
assign (resid 15 and name HN) (resid 14 and name HB*)  3.87 2.07 0.39
!	peak  8.71 - 4.21                -V32a
assign (resid 15 and name HN) (resid 32 and name HA)  2.77 0.97 0.28
!	peak  8.71 - 0.89                -V32gR
assign (resid 15 and name HN) (resid 32 and name HG2*)  5.10 3.30 0.00
!-----------------------------------------
!  Arg 16
!	peak  9.25 - 3.23                -I15a
assign (resid 16 and name HN) (resid 15 and name HA)  5.10 3.30 0.00
!	peak  9.25 - 2.48                -I15b
assign (resid 16 and name HN) (resid 15 and name HB*)  2.49 0.69 0.25
!	peak  9.25 - 0.82                -I15g2
assign (resid 16 and name HN) (resid 15 and name HG2*)  3.04 1.24 0.60
!-----------------------------------------
!  Cys 17
!	peak  9.01 - 4.46               -R16a
assign (resid 17 and name HN) (resid 16 and name HA)  2.21 0.41 0.22
!	peak  9.01 - 1.80               -R16b
!                           Distance=   3.32 1.52 0.33
!	peak  9.01 - 1.69               -R16b
assign (resid 17 and name HN) (resid 16 and name HB*)  2.91 1.11 0.29
!	peak  9.01 - 1.30               -R16g
assign (resid 17 and name HN) (resid 16 and name HG*)  3.19 1.39 0.32
!	peak  4.99 - 3.97               -P18d
assign (resid 17 and name HA) (resid 18 and name HD*)  2.24 0.44 0.22
!	peak  4.99 - 3.67               -P18d
!                           Distance=  2.37 0.57 0.24
!	peak  4.99 - 1.83               -I13b
assign (resid 17 and name HA) (resid 13 and name HB*)  2.84 1.04 0.28
!	peak  4.99 - 1.08               -I13g2
assign (resid 17 and name HA) (resid 13 and name HG2*)  2.98 1.18 0.60
!	peak  4.99 - 0.74               -I13d
assign (resid 17 and name HA) (resid 13 and name HD*)  2.93 1.13 0.58
!-----------------------------------------
!  Pro 18
!	peak  3.96 - 1.08         -I13g2
assign (resid 18 and name HD*) (resid 13 and name HG2*)  2.55 0.75 0.52
!	peak  3.96 - 0.75         -I13d
assign (resid 18 and name HD*) (resid 13 and name HD*)  2.50 0.70 0.50
!-----------------------------------------
!  Val 19 
!	peak  8.41 - 4.52          -P18alpha
assign (resid 19 and name HN) (resid 18 and name HA)  2.21 0.41 0.22
!-----------------------------------------
!  Pro 20
!	peak  4.86 - 4.29                 -V19alpha
assign (resid 20 and name HA) (resid 19 and name HA)  1.89 0.09 0.19
!	peak  4.86 - 0.95                 -V19gamma1
assign (resid 20 and name HA) (resid 19 and name HG*)  2.54 0.74 0.50
!	peak  4.86 - 1.05                 -V19gamma2
!                            Distance=    3.04 1.24 0.30
!-----------------------------------------
!  Met 21
!	peak  9.42 - 1.88                 -P20b
assign (resid 21 and name HN) (resid 20 and name HB*)  3.72 1.92 0.37
!	peak  9.42 - 4.27                 -V19a
assign (resid 21 and name HN) (resid 19 and name HA)  2.98 1.18 0.30
!------------------------------------------
!  Arg 22
!	peak  8.74 - 4.08               -M21a
assign (resid 22 and name HN) (resid 21 and name HA)  2.38 0.58 0.24
!	peak  1.45 - 0.64               -I24hg2*
assign (resid 22 and name HG*) (resid 24 and name HG2*)  2.85 1.05 0.58
!       peak  6.99 - 4.48               -W38a
assign (resid 22 and name HE) (resid 38 and name HA)  3.55 1.75 0.36
!-----------------------------------------
!  Gln 23
!	peak  8.81 - 4.52          -R22a
assign (resid 23 and name HN) (resid 22 and name HA)  2.22 0.42 0.22
!	peak  8.81 - 1.64          -R22b
assign (resid 23 and name HN) (resid 22 and name HB*)  3.00 1.20 0.30
!	peak  8.81 - 1.43          -R22g
assign (resid 23 and name HN) (resid 22 and name HG*)  3.60 1.80 0.36
!	peak  4.87 - 0.64          -I24g2
assign (resid 23 and name HA) (resid 24 and name HG2*)  3.03 1.23 0.60
!-----------------------------------------
!  Ile 24
!	peak  8.74 - 4.84                -Q23a
assign (resid 24 and name HN) (resid 23 and name HA)  2.25 0.45 0.23
!	peak  8.74 - 2.44                -Q23g
assign (resid 24 and name HN) (resid 23 and name HG*)  5.10 3.30 0.00
!	peak  8.74 - 2.00                -Q23b
assign (resid 24 and name HN) (resid 23 and name HB*)  2.93 1.13 0.29
!	peak  8.74 - 7.54                -G25NH
assign (resid 24 and name HN) (resid 25 and name HN)  2.56 0.76 0.26
!	peak  8.74 - 5.52                -C35a
assign (resid 24 and name HN) (resid 35 and name HA)  5.10 3.30 0.00
!-----------------------------------------
!  Gly 25
!	peak  7.54 - 1.97                 -I24b
assign (resid 25 and name HN) (resid 24 and name HB*)  5.10 3.30 0.00
!	peak  7.54 - 0.75                 -I24g1
assign (resid 25 and name HN) (resid 24 and name HG1*)  3.10 1.30 0.31
!	peak  7.54 - 0.54                 -I24d
assign (resid 25 and name HN) (resid 24 and name HD*)  3.68 1.88 0.74
!	peak  7.54 - 2.41                 -Q23HG*
!                           Distance=   2.79 0.99 0.28
!	peak  7.54 - 2.29                 -Q23HG*
assign (resid 25 and name HN) (resid 23 and name HG*)  2.62 0.82 0.26
!	peak  4.26 - 2.22                 -C34HBS
assign (resid 25 and name HA*) (resid 34 and name HB2)  2.89 1.09 0.29
!	peak  4.29 - 1.00                 -T26HG*
assign (resid 25 and name HA*) (resid 26 and name HG2*)  2.76 0.96 0.66
!	peak  4.10 - 1.00                 -T26HG*
!                           Distance=   3.20 1.40 0.64
!-----------------------------------------
!  Thr 26
!	peak  8.69 - 4.26  strong  -G25A*
assign (resid 26 and name HN) (resid 25 and name HA*)  2.39 0.59 0.24
!	peak  8.69 - 4.08  strong  -G25A*
!                            Distance=   2.54 0.74 0.25
! *** interaction covered by previous constraint.
!	peak  4.78 - 4.17          -K33a
assign (resid 26 and name HA) (resid 33 and name HA)  2.28 0.48 0.23
!-----------------------------------------
!  Cys 27
!	peak  8.37 - 4.34               -T26b
assign (resid 27 and name HN) (resid 26 and name HB)  2.60 0.80 0.26
!	peak  8.37 - 0.99               -T26g
assign (resid 27 and name HN) (resid 26 and name HG2*)  5.10 3.30 0.00
!	peak  3.06 - 0.81               -V32g
assign (resid 27 and name HB2) (resid 32 and name HG1*)  2.35 0.55 0.48
!	peak  2.39 - 2.73               -C12hb*
assign (resid 27 and name HB1) (resid 12 and name HB1)  5.10 3.30 0.00
!	peak  3.06 - 7.12               -F28h26
assign (resid 27 and name HB2) (resid 28 and name HD*)  3.03 1.23 0.30
!	peak  2.39 - 7.12               -F28h26
assign (resid 27 and name HB1) (resid 28 and name HD*)  3.02 1.22 0.30
!-----------------------------------------
!  Phe 28
!	peak  7.72 - 4.53               -C27a
assign (resid 28 and name HN) (resid 27 and name HA)  2.52 0.72 0.25
!	peak  7.72 - 2.39              -C27bR
assign (resid 28 and name HN) (resid 27 and name HB1)  3.17 1.37 0.32
!	peak  7.13 - 1.96              -V32b
assign (resid 28 and name HD*) (resid 32 and name HB)  2.64 0.84 0.26
!	peak  7.13 - 0.90              -V32gR
assign (resid 28 and name HD*) (resid 32 and name HG2*)  3.01 1.21 0.60
!	peak  7.13 - 0.81              -V32gS
assign (resid 28 and name HD*) (resid 32 and name HG1*)  2.78 0.98 0.56
!-----------------------------------------
!  Gly 29
!	peak  8.35 - 4.52  strong  -F28a
assign (resid 29 and name HN) (resid 28 and name HA)  2.50 0.70 0.25
!-----------------------------------------
!  Arg 30
!	peak  8.18 - 4.05  str-med -G29A*
!                   Distance=  2.52 0.72 0.25
! *** This interaction covered by next constraint.
!	peak  8.18 - 3.66  strong  -G29A*
assign (resid 30 and name HN) (resid 29 and name HA*)  2.25 0.45 0.23
!-----------------------------------------
!  Pro 31
!-----------------------------------------
!  Val 32
!  This is a degenerate NOE, unable to measure volume.
assign (resid 32 and name HA) (resid 31 and name HD*)  3.00 1.20 0.50
!-----------------------------------------
!  Lys 33
!	peak  8.41 - 4.19               -V32a
assign (resid 33 and name HN) (resid 32 and name HA)  2.18 0.38 0.22
!	peak  8.41 - 4.44  weak    -P14alpha
assign (resid 33 and name HN) (resid 14 and name HA)  3.41 1.61 0.34
!	peak  8.41 - 0.81               -V32gS
assign (resid 33 and name HN) (resid 32 and name HG1*)  2.95 1.15 0.60
!	peak  4.18 - 1.00                -T26g
assign (resid 33 and name HA) (resid 26 and name HG2*)  2.68 0.88 0.54
!-----------------------------------------
!  Cys 34
!	peak  8.15 - 4.17               -K33a
assign (resid 34 and name HN) (resid 33 and name HA)  2.28 0.48 0.23
!	peak  8.15 - 1.86               -K33b
assign (resid 34 and name HN) (resid 33 and name HB*)  3.16 1.36 0.32
!	peak  8.15 - 1.49               -K33g
assign (resid 34 and name HN) (resid 33 and name HG*)  2.99 1.19 0.30
!	peak  8.15 - 0.99               -T26g
assign (resid 34 and name HN) (resid 26 and name HG2*)  3.55 1.75 0.72
!-----------------------------------------
!  Cys 35
!	peak  9.48 - 4.95               -C34a
assign (resid 35 and name HN) (resid 34 and name HA)  2.29 0.49 0.23
!	peak  9.48 - 4.95               -C34HB1
assign (resid 35 and name HN) (resid 34 and name HB1)  5.10 3.30 0.00
!	peak  9.48 - 0.99               -I13h1, or I24hg1
!                           Distance=  4.00 2.20 1.10
!	peak  9.48 - 8.82               -V11HN
assign (resid 35 and name HN) (resid 11 and name HN)  3.06 1.26 0.31
!	peak  5.55 - 4.86               -Q23alpha
assign (resid 35 and name HA) (resid 23 and name HA)  2.45 0.65 0.24
!	peak  5.55 - 0.64               -I24HG
assign (resid 35 and name HA) (resid 24 and name HG2*)  3.35 1.55 0.68
!	peak  5.55 - 0.49               -I24HG
assign (resid 35 and name HA) (resid 24 and name HG1*)  3.13 1.33 0.31
!-----------------------------------------
!  Arg 36
!	peak  9.43 - 5.53                -C35a
assign (resid 36 and name HN) (resid 35 and name HA)  2.38 0.58 0.24
!	peak  9.43 - 2.84                -C35bR
assign (resid 36 and name HN) (resid 35 and name HB1)  4.28 2.48 0.43
!	peak  9.43 - 2.51                -C35bS
assign (resid 36 and name HN) (resid 35 and name HB2)  2.89 1.09 0.29
!	peak  9.43 - 4.83                -Q23a
assign (resid 36 and name HN) (resid 23 and name HA) 3.12 1.32 0.31
!	peak  9.43 - 8.74                -R22HN
assign (resid 36 and name HN) (resid 22 and name HN) 3.14 1.34 0.31
!	peak  9.43 - 0.63                -I24g2
assign (resid 36 and name HN) (resid 24 and name HG2*) 5.10 3.30 0.00
!       peak  9.43 - 0.51                -I24d
assign (resid 36 and name HN) (resid 24 and name HD*) 5.10 3.30 0.00
!       peak  9.43 - 2.57                -M21hg
assign (resid 36 and name HN) (resid 21 and name HG*) 2.75 0.95 0.28
!       peak  9.43 - 2.16                -M21hg*
!                           Distance=  3.85 2.05 0.39
! *** This constraint covered by previous assignment.
!       peak  4.10 - 2.07      -hbS
!                            Distance=   2.50 0.70 0.25
!	peak  2.34 - 0.52                -I24d
assign (resid 36 and name HD*) (resid 24 and name HD*)  2.47 0.67 0.50
!	peak  1.78 - 0.51                -I24d
assign (resid 36 and name HB*) (resid 24 and name HD*)  2.93 1.13 0.58
!	peak  1.78 - 0.65                -I24g2
assign (resid 36 and name HB*) (resid 24 and name HG2*)  2.79 0.99 0.56
!	peak  6.26 - 0.63                 -I24g2
assign (resid 36 and name HE) (resid 24 and name HG2*)  3.31 1.51 0.66
!-----------------------------------------
!  Ser 37
!	peak  9.02 - 4.78                 -R36a
assign (resid 37 and name HN) (resid 36 and name HA)  3.12 1.32 0.31
!	peak  9.02 - 1.10                 -R36b
assign (resid 37 and name HN) (resid 36 and name HB*)  3.66 1.86 0.37
!	peak  9.02 - 1.54                 -R36g
assign (resid 37 and name HN) (resid 36 and name HG*)  3.22 1.42 0.32
!	peak  9.02 - 0.92                 -R36g
!                           Distance=   3.38 1.58 0.34
!	peak  9.02 - 7.30                 -W38HN
assign (resid 37 and name HN) (resid 38 and name HN)  4.13 2.33 0.41
!-----------------------------------------
!  Trp 38
!	peak  7.30 - 1.76                 -R36b
assign (resid 38 and name HN) (resid 36 and name HB*)  5.1 3.3 0.00
!	peak  7.30 - 1.53                 -R36g
assign (resid 38 and name HN) (resid 36 and name HG*)  5.1 3.3 0.00
!	peak  7.30 - 0.92                 -R36g
assign (resid 38 and name HN) (resid 36 and name HG*)  2.58 0.78 0.26
!	peak  7.05 - 0.92                 -R36g
assign (resid 38 and name HZ3) (resid 36 and name HG*)  5.10 3.30 0.00
!-----------------------------------------
!


!
!              Tracking # T6132
!   This file should replace the previous version of
! the hydrogen bond restraint file.   03/31/95
!
!  -------------------------------------------------------------
!       Hydrogen Bond Distance Constraints for BNBD-12
!  -------------------------------------------------------------
!
!  Gly 10
assign (resid 10 and name HN) (resid 5 and name O)  2.0 0.4 0.4
assign (resid 10 and name N ) (resid 5 and name O)  3.0 0.4 0.4
!  Val 11
assign (resid 11 and name HN) (resid 35 and name O)  2.0 0.4 0.4
assign (resid 11 and name N ) (resid 35 and name O)  3.0 0.4 0.4
!  Ile 13
assign (resid 13 and name HN) (resid 33 and name O)  2.0 0.4 0.4
assign (resid 13 and name N ) (resid 33 and name O)  3.0 0.4 0.4
!  Met 21
assign (resid 21 and name HN) (resid 18 and name O)  2.0 0.4 0.4
assign (resid 21 and name N ) (resid 18 and name O)  3.0 0.4 0.4
!  Arg 22
assign (resid 22 and name HN) (resid 36 and name O)  2.0 0.4 0.4
assign (resid 22 and name N ) (resid 36 and name O)  3.0 0.4 0.4
!  Ile 24
assign (resid 24 and name HN) (resid 34 and name O)  2.0 0.4 0.4
assign (resid 24 and name N ) (resid 34 and name O)  3.0 0.4 0.4
!  Cys 27
assign (resid 27 and name HN) (resid 32 and name O)  2.0 0.4 0.4
assign (resid 27 and name N ) (resid 32 and name O)  3.0 0.4 0.4
!  Val 32
assign (resid 32 and name HN) (resid 27 and name O)  2.0 0.4 0.4
assign (resid 32 and name N ) (resid 27 and name O)  3.0 0.4 0.4
!  Lys 33
assign (resid 33 and name HN) (resid 13 and name O)  2.0 0.4 0.4
assign (resid 33 and name N ) (resid 13 and name O)  3.0 0.4 0.4
!  Cys 34
assign (resid 34 and name HN) (resid 25 and name O)  2.0 0.4 0.4
assign (resid 34 and name N ) (resid 25 and name O)  3.0 0.4 0.4
!  Cys 35
assign (resid 35 and name HN) (resid 11 and name O)  2.0 0.4 0.4
assign (resid 35 and name N ) (resid 11 and name O)  3.0 0.4 0.4
!  Arg 36
assign (resid 36 and name HN) (resid 22 and name O)  2.0 0.4 0.4
assign (resid 36 and name N ) (resid 22 and name O)  3.0 0.4 0.4
!

!
!              Tracking # T6132
!   This file should replace the previous version of
! the dihedral restraint file.   03/31/95
!
!  -------------------------------------------------------------
!           Dihedral Constraints for BNBD-12
!  -------------------------------------------------------------
!
restraints dihedral reset
!
!--------------------------------------------------
! Phi angles:
!  Val 11
assign (resid 10 and name c )  (resid 11 and name n )
       (resid 11 and name ca)  (resid 11 and name c ) 10.0 -120.0 30.0 2
!  Ile 13
assign (resid 12 and name c )  (resid 13 and name n )
       (resid 13 and name ca)  (resid 13 and name c ) 10.0 -120.0 30.0 2
!  Arg 16
assign (resid 15 and name c )  (resid 16 and name n )
       (resid 16 and name ca)  (resid 16 and name c ) 10.0 -120.0 30.0 2
!  Arg 22
assign (resid 21 and name c )  (resid 22 and name n )
       (resid 22 and name ca)  (resid 22 and name c ) 10.0 -120.0 30.0 2
!  Ile 24
assign (resid 23 and name c )  (resid 24 and name n )
       (resid 24 and name ca)  (resid 24 and name c ) 10.0 -120.0 30.0 2
!  Thr 26
assign (resid 25 and name c )  (resid 26 and name n )
       (resid 26 and name ca)  (resid 26 and name c ) 10.0 -120.0 30.0 2
!  Cys 27
assign (resid 26 and name c )  (resid 27 and name n )
       (resid 27 and name ca)  (resid 27 and name c ) 10.0 -120.0 30.0 2
!  Val 32
assign (resid 31 and name c )  (resid 32 and name n )
       (resid 32 and name ca)  (resid 32 and name c ) 10.0 -120.0 30.0 2
!  Lys 33
assign (resid 32 and name c )  (resid 33 and name n )
       (resid 33 and name ca)  (resid 33 and name c ) 10.0 -120.0 30.0 2
!  Cys 34
assign (resid 33 and name c )  (resid 34 and name n )
       (resid 34 and name ca)  (resid 34 and name c ) 10.0 -120.0 30.0 2
!  Cys 35
assign (resid 34 and name c )  (resid 35 and name n )
       (resid 35 and name ca)  (resid 35 and name c ) 10.0 -120.0 30.0 2
!  Arg 36
assign (resid 35 and name c )  (resid 36 and name n )
       (resid 36 and name ca)  (resid 36 and name c ) 10.0 -120.0 30.0 2
!
!--------------------------------------------------
! Xhi angles:
!  Cys 5
!  Asn 8
assign (resid 8 and name n )  (resid 8 and name ca)
       (resid 8 and name cb)  (resid 8 and name cg) 10.0 -60.0 20.0 2
!  Cys 12
assign (resid 12 and name n )  (resid 12 and name ca)
       (resid 12 and name cb)  (resid 12 and name sg) 10.0 -60.0 20.0 2
!  Arg 16
assign (resid 16 and name n )  (resid 16 and name ca)
       (resid 16 and name cb)  (resid 16 and name cg) 10.0 60.0 20.0 2
!  Cys 17
!  Met 21
assign (resid 21 and name n )  (resid 21 and name ca)
       (resid 21 and name cb)  (resid 21 and name cg) 10.0 180.0 20.0 2
!  Cys 27
assign (resid 27 and name n )  (resid 27 and name ca)
       (resid 27 and name cb)  (resid 27 and name sg) 10.0 -60.0 20.0 2
!  Cys 34
assign (resid 34 and name n )  (resid 34 and name ca)
       (resid 34 and name cb)  (resid 34 and name sg) 10.0 -60.0 20.0 2
!  Cys 35
assign (resid 35 and name n )  (resid 35 and name ca)
       (resid 35 and name cb)  (resid 35 and name sg) 10.0 -60.0 20.0 2
!  Trp 38
assign (resid 38 and name n )  (resid 38 and name ca)
       (resid 38 and name cb)  (resid 38 and name cg) 10.0 60.0 20.0 2
!--------------------------------------------------
end

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  300 H/Q atoms
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1  -6.852   9.841   3.039
    2   2H    ALA   1          3H        ALA   1  -6.394   9.638   4.659
    3   3H    ALA   1          2H        ALA   1  -7.569  10.794   4.249
    4    HA   ALA   1           HA       ALA   1  -6.072  12.330   3.670
    5   1HB   ALA   1          1HB       ALA   1  -5.235  11.049   5.857
    6   2HB   ALA   1          3HB       ALA   1  -3.889  10.620   4.801
    7   3HB   ALA   1          2HB       ALA   1  -4.258  12.316   5.115
    8    HA   PRO   2           HA       PRO   2  -3.866  11.319   0.017
    9   1HB   PRO   2          2HB       PRO   2  -2.101  13.424  -0.063
   10   2HB   PRO   2          1HB       PRO   2  -3.825  13.581  -0.439
   11   1HG   PRO   2          2HG       PRO   2  -2.349  14.461   1.998
   12   2HG   PRO   2          1HG       PRO   2  -3.850  15.097   1.306
   13   1HD   PRO   2          2HD       PRO   2  -3.648  13.365   3.541
   14   2HD   PRO   2          1HD       PRO   2  -5.135  13.759   2.651
   15    H    LEU   3           H        LEU   3  -1.762  10.593  -0.761
   16    HA   LEU   3           HA       LEU   3   0.329   9.572  -0.566
   17   1HB   LEU   3          2HB       LEU   3   0.451  11.832   1.177
   18   2HB   LEU   3          1HB       LEU   3   1.224  10.475   1.996
   19    HG   LEU   3           HG       LEU   3   2.607  10.055  -0.010
   20   1HD1  LEU   3          2HD1      LEU   3   1.145  12.498  -1.052
   21   2HD1  LEU   3          1HD1      LEU   3   2.607  11.845  -1.790
   22   3HD1  LEU   3          3HD1      LEU   3   1.133  10.877  -1.745
   23   1HD2  LEU   3          1HD2      LEU   3   3.373  11.609   1.807
   24   2HD2  LEU   3          3HD2      LEU   3   4.065  11.994   0.232
   25   3HD2  LEU   3          2HD2      LEU   3   2.733  12.957   0.868
   26    H    SER   4           H        SER   4  -0.369   9.820   2.914
   27    HA   SER   4           HA       SER   4  -0.768   8.155   4.503
   28   1HB   SER   4          2HB       SER   4  -1.630   6.288   2.313
   29   2HB   SER   4          1HB       SER   4  -2.273   6.456   3.942
   30    HG   SER   4           HG       SER   4  -2.846   8.684   3.145
   31    H    CYS   5           H        CYS   5  -0.371   5.418   4.461
   32    HA   CYS   5           HA       CYS   5   1.288   3.766   4.419
   33   1HB   CYS   5          2HB       CYS   5   1.623   5.171   1.956
   34   2HB   CYS   5          1HB       CYS   5   3.223   4.863   2.627
   35    H    GLY   6           H        GLY   6   1.653   6.797   5.603
   36   1HA   GLY   6          2HA       GLY   6   4.528   6.783   6.098
   37   2HA   GLY   6          1HA       GLY   6   3.357   7.895   6.813
   38    NH1  ARG   7           NH2      ARG   7   3.589   3.011  12.851
   39    NH2  ARG   7           NH1      ARG   7   2.140   2.813  14.589
   40    H    ARG   7           H        ARG   7   1.637   6.414   8.175
   41    HA   ARG   7           HA       ARG   7   3.116   5.506  10.460
   42   1HB   ARG   7          2HB       ARG   7   0.451   6.138   9.904
   43   2HB   ARG   7          1HB       ARG   7   0.414   4.416  10.284
   44   1HG   ARG   7          2HG       ARG   7   2.168   5.786  12.123
   45   2HG   ARG   7          1HG       ARG   7   0.587   6.567  12.110
   46   1HD   ARG   7          2HD       ARG   7   0.560   4.783  13.763
   47   2HD   ARG   7          1HD       ARG   7  -0.473   4.317  12.412
   48    HE   ARG   7           HE       ARG   7   1.153   2.666  11.781
   49   1HH1  ARG   7          1HH2      ARG   7   3.758   3.184  11.877
   50   2HH1  ARG   7          2HH2      ARG   7   4.358   2.821  13.462
   51   1HH2  ARG   7          2HH1      ARG   7   1.203   2.837  14.943
   52   2HH2  ARG   7          1HH1      ARG   7   2.901   2.622  15.211
   53    H    ASN   8           H        ASN   8   1.501   3.831   7.782
   54    HA   ASN   8           HA       ASN   8   1.965   1.170   8.775
   55   1HB   ASN   8          2HB       ASN   8   1.770   1.972   5.862
   56   2HB   ASN   8          1HB       ASN   8   1.344   0.421   6.584
   57   1HD2  ASN   8          2HD2      ASN   8  -1.855   1.501   7.682
   58   2HD2  ASN   8          1HD2      ASN   8  -0.684   0.275   7.765
   59    H    GLY   9           H        GLY   9   3.801   3.352   6.663
   60   1HA   GLY   9          2HA       GLY   9   6.118   3.363   6.246
   61   2HA   GLY   9          1HA       GLY   9   6.283   1.998   7.354
   62    H    GLY  10           H        GLY  10   4.664   2.595   4.210
   63   1HA   GLY  10          2HA       GLY  10   6.166   0.308   3.079
   64   2HA   GLY  10          1HA       GLY  10   4.405   0.191   3.077
   65    H    VAL  11           H        VAL  11   4.976   0.122   0.631
   66    HA   VAL  11           HA       VAL  11   5.367   2.874  -0.436
   67    HB   VAL  11           HB       VAL  11   5.502   1.581  -2.672
   68   1HG1  VAL  11          2HG1      VAL  11   7.556   1.186  -0.476
   69   2HG1  VAL  11          1HG1      VAL  11   7.870   0.915  -2.191
   70   3HG1  VAL  11          3HG1      VAL  11   7.472   2.533  -1.612
   71   1HG2  VAL  11          1HG2      VAL  11   4.500  -0.517  -1.594
   72   2HG2  VAL  11          3HG2      VAL  11   5.948  -0.766  -2.572
   73   3HG2  VAL  11          2HG2      VAL  11   6.066  -0.740  -0.812
   74    H    CYS  12           H        CYS  12   3.844   3.741  -1.935
   75    HA   CYS  12           HA       CYS  12   1.101   2.713  -1.517
   76   1HB   CYS  12          2HB       CYS  12   2.196   5.286  -2.674
   77   2HB   CYS  12          1HB       CYS  12   0.478   4.892  -2.653
   78    H    ILE  13           H        ILE  13   0.990   0.934  -2.954
   79    HA   ILE  13           HA       ILE  13   1.598   1.451  -5.811
   80    HB   ILE  13           HB       ILE  13   0.641  -1.128  -4.545
   81   1HG1  ILE  13          2HG1      ILE  13   3.451  -0.043  -4.904
   82   2HG1  ILE  13          1HG1      ILE  13   2.672  -0.493  -3.387
   83   1HG2  ILE  13          1HG2      ILE  13   0.589  -0.720  -7.091
   84   2HG2  ILE  13          3HG2      ILE  13   2.350  -0.734  -7.005
   85   3HG2  ILE  13          2HG2      ILE  13   1.433  -2.163  -6.529
   86   1HD1  ILE  13          1HD1      ILE  13   2.510  -2.835  -4.186
   87   2HD1  ILE  13          3HD1      ILE  13   3.353  -2.373  -5.665
   88   3HD1  ILE  13          2HD1      ILE  13   4.183  -2.280  -4.112
   89    HA   PRO  14           HA       PRO  14  -2.728   2.223  -6.399
   90   1HB   PRO  14          2HB       PRO  14  -2.548   2.598  -9.118
   91   2HB   PRO  14          1HB       PRO  14  -2.099   3.829  -7.925
   92   1HG   PRO  14          2HG       PRO  14  -0.332   2.121  -9.613
   93   2HG   PRO  14          1HG       PRO  14  -0.011   3.712  -8.905
   94   1HD   PRO  14          2HD       PRO  14   0.929   1.232  -7.910
   95   2HD   PRO  14          1HD       PRO  14   0.968   2.787  -7.052
   96    H    ILE  15           H        ILE  15  -4.390   1.381  -8.152
   97    HA   ILE  15           HA       ILE  15  -5.541  -0.433  -9.042
   98    HB   ILE  15           HB       ILE  15  -2.793  -1.599  -9.569
   99   1HG1  ILE  15          2HG1      ILE  15  -4.395   0.554 -10.933
  100   2HG1  ILE  15          1HG1      ILE  15  -2.667   0.512 -10.585
  101   1HG2  ILE  15          3HG2      ILE  15  -5.454  -2.514 -10.048
  102   2HG2  ILE  15          2HG2      ILE  15  -4.763  -2.062 -11.604
  103   3HG2  ILE  15          1HG2      ILE  15  -3.945  -3.247 -10.587
  104   1HD1  ILE  15          2HD1      ILE  15  -2.473  -1.391 -12.238
  105   2HD1  ILE  15          1HD1      ILE  15  -4.154  -1.090 -12.682
  106   3HD1  ILE  15          3HD1      ILE  15  -2.933   0.154 -12.954
  107    NH1  ARG  16           NH2      ARG  16  -2.561  -9.275  -6.866
  108    NH2  ARG  16           NH1      ARG  16  -4.221  -9.814  -8.329
  109    H    ARG  16           H        ARG  16  -2.934  -2.635  -8.105
  110    HA   ARG  16           HA       ARG  16  -4.331  -3.272  -5.586
  111   1HB   ARG  16          2HB       ARG  16  -4.399  -5.727  -6.251
  112   2HB   ARG  16          1HB       ARG  16  -5.574  -4.692  -7.061
  113   1HG   ARG  16          2HG       ARG  16  -4.755  -5.485  -9.011
  114   2HG   ARG  16          1HG       ARG  16  -3.303  -4.541  -8.682
  115   1HD   ARG  16          2HD       ARG  16  -2.773  -6.926  -9.124
  116   2HD   ARG  16          1HD       ARG  16  -2.303  -6.435  -7.496
  117    HE   ARG  16           HE       ARG  16  -4.883  -7.454  -7.206
  118   1HH1  ARG  16          1HH2      ARG  16  -2.084  -8.590  -6.308
  119   2HH1  ARG  16          2HH2      ARG  16  -2.242 -10.224  -6.865
  120   1HH2  ARG  16          2HH1      ARG  16  -5.007  -9.540  -8.886
  121   2HH2  ARG  16          1HH1      ARG  16  -3.913 -10.767  -8.338
  122    H    CYS  17           H        CYS  17  -3.093  -5.068  -4.419
  123    HA   CYS  17           HA       CYS  17  -0.268  -4.388  -4.470
  124   1HB   CYS  17          2HB       CYS  17  -1.878  -5.176  -2.483
  125   2HB   CYS  17          1HB       CYS  17  -1.259  -6.759  -2.953
  126    HA   PRO  18           HA       PRO  18   0.635  -7.607  -7.409
  127   1HB   PRO  18          2HB       PRO  18   3.293  -6.945  -7.646
  128   2HB   PRO  18          1HB       PRO  18   1.992  -6.073  -8.476
  129   1HG   PRO  18          2HG       PRO  18   3.600  -5.233  -6.111
  130   2HG   PRO  18          1HG       PRO  18   2.767  -4.233  -7.314
  131   1HD   PRO  18          2HD       PRO  18   1.841  -4.813  -4.694
  132   2HD   PRO  18          1HD       PRO  18   0.894  -4.072  -6.003
  133    H    VAL  19           H        VAL  19   1.044  -9.704  -6.789
  134    HA   VAL  19           HA       VAL  19   2.246 -10.332  -4.247
  135    HB   VAL  19           HB       VAL  19   2.122 -12.691  -5.051
  136   1HG1  VAL  19          3HG1      VAL  19  -0.013 -10.837  -4.687
  137   2HG1  VAL  19          2HG1      VAL  19  -0.486 -11.946  -5.974
  138   3HG1  VAL  19          1HG1      VAL  19  -0.025 -12.575  -4.392
  139   1HG2  VAL  19          2HG2      VAL  19   2.277 -11.443  -7.583
  140   2HG2  VAL  19          1HG2      VAL  19   2.087 -13.166  -7.255
  141   3HG2  VAL  19          3HG2      VAL  19   0.664 -12.151  -7.490
  142    HA   PRO  20           HA       PRO  20   3.175 -12.302  -3.632
  143   1HB   PRO  20          2HB       PRO  20   5.365 -12.719  -2.035
  144   2HB   PRO  20          1HB       PRO  20   4.934 -13.766  -3.397
  145   1HG   PRO  20          2HG       PRO  20   7.130 -11.765  -3.196
  146   2HG   PRO  20          1HG       PRO  20   7.009 -13.196  -4.233
  147   1HD   PRO  20          2HD       PRO  20   6.551 -10.500  -5.022
  148   2HD   PRO  20          1HD       PRO  20   6.190 -11.955  -5.974
  149    H    MET  21           H        MET  21   4.236  -9.205  -3.783
  150    HA   MET  21           HA       MET  21   4.695  -8.475  -1.060
  151   1HB   MET  21          2HB       MET  21   5.042  -7.049  -3.182
  152   2HB   MET  21          1HB       MET  21   3.317  -6.694  -3.073
  153   1HG   MET  21          2HG       MET  21   3.544  -5.545  -1.054
  154   2HG   MET  21          1HG       MET  21   5.054  -6.359  -0.646
  155   1HE   MET  21          2HE       MET  21   7.105  -5.821  -1.049
  156   2HE   MET  21          1HE       MET  21   7.257  -5.954  -2.801
  157   3HE   MET  21          3HE       MET  21   7.800  -4.490  -1.972
  158    NH1  ARG  22           NH1      ARG  22   3.460  -7.499   4.465
  159    NH2  ARG  22           NH2      ARG  22   3.094  -8.479   6.482
  160    H    ARG  22           H        ARG  22   3.257  -7.918   0.575
  161    HA   ARG  22           HA       ARG  22   0.398  -8.571   0.031
  162   1HB   ARG  22          2HB       ARG  22   0.735  -9.918   1.823
  163   2HB   ARG  22          1HB       ARG  22   2.236  -9.103   2.255
  164   1HG   ARG  22          2HG       ARG  22   0.891  -7.240   3.245
  165   2HG   ARG  22          1HG       ARG  22  -0.574  -8.164   2.905
  166   1HD   ARG  22          2HD       ARG  22   0.315  -8.426   5.261
  167   2HD   ARG  22          1HD       ARG  22   0.115  -9.941   4.378
  168    HE   ARG  22           HE       ARG  22   2.486 -10.174   4.314
  169   1HH1  ARG  22          2HH1      ARG  22   3.299  -7.462   3.477
  170   2HH1  ARG  22          1HH1      ARG  22   4.057  -6.819   4.898
  171   1HH2  ARG  22          1HH2      ARG  22   2.655  -9.191   7.031
  172   2HH2  ARG  22          2HH2      ARG  22   3.686  -7.804   6.925
  173    H    GLN  23           H        GLN  23  -1.225  -7.132   0.823
  174    HA   GLN  23           HA       GLN  23  -0.465  -4.338   0.769
  175   1HB   GLN  23          2HB       GLN  23  -2.874  -5.840   0.527
  176   2HB   GLN  23          1HB       GLN  23  -3.100  -4.691   1.846
  177   1HG   GLN  23          2HG       GLN  23  -2.755  -2.837   0.470
  178   2HG   GLN  23          1HG       GLN  23  -1.851  -3.767  -0.726
  179   1HE2  GLN  23          2HE2      GLN  23  -5.958  -4.146  -0.733
  180   2HE2  GLN  23          1HE2      GLN  23  -5.162  -3.855   0.737
  181    H    ILE  24           H        ILE  24  -0.356  -2.896   2.503
  182    HA   ILE  24           HA       ILE  24  -0.838  -3.985   5.231
  183    HB   ILE  24           HB       ILE  24   1.324  -2.884   5.954
  184   1HG1  ILE  24          2HG1      ILE  24   2.617  -3.060   3.387
  185   2HG1  ILE  24          1HG1      ILE  24   1.242  -1.962   3.269
  186   1HG2  ILE  24          1HG2      ILE  24   1.439  -5.158   3.951
  187   2HG2  ILE  24          3HG2      ILE  24   2.763  -4.723   5.031
  188   3HG2  ILE  24          2HG2      ILE  24   1.234  -5.298   5.698
  189   1HD1  ILE  24          1HD1      ILE  24   2.260  -1.147   5.633
  190   2HD1  ILE  24          3HD1      ILE  24   3.742  -1.697   4.850
  191   3HD1  ILE  24          2HD1      ILE  24   2.752  -0.451   4.090
  192    H    GLY  25           H        GLY  25  -2.444  -2.161   3.726
  193   1HA   GLY  25          2HA       GLY  25  -3.377  -0.259   5.295
  194   2HA   GLY  25          1HA       GLY  25  -1.825   0.492   4.915
  195    H    THR  26           H        THR  26  -3.435   2.167   3.993
  196    HA   THR  26           HA       THR  26  -3.923   1.457   1.139
  197    HB   THR  26           HB       THR  26  -5.955   3.009   1.321
  198    HG1  THR  26           HG1      THR  26  -5.312   3.823   3.403
  199   1HG2  THR  26          1HG2      THR  26  -5.902   0.383   2.833
  200   2HG2  THR  26          3HG2      THR  26  -7.366   1.185   2.266
  201   3HG2  THR  26          2HG2      THR  26  -6.183   0.587   1.104
  202    H    CYS  27           H        CYS  27  -4.133   3.512  -0.223
  203    HA   CYS  27           HA       CYS  27  -2.626   5.797   0.944
  204   1HB   CYS  27          2HB       CYS  27  -1.904   4.222  -1.529
  205   2HB   CYS  27          1HB       CYS  27  -1.357   5.881  -1.290
  206    H    PHE  28           H        PHE  28  -3.299   7.778   0.147
  207    HA   PHE  28           HA       PHE  28  -4.740   9.303  -0.899
  208   1HB   PHE  28          2HB       PHE  28  -4.396   7.272  -3.118
  209   2HB   PHE  28          1HB       PHE  28  -5.225   8.813  -3.327
  210    HD1  PHE  28           HD1      PHE  28  -4.003  10.940  -3.176
  211    HD2  PHE  28           HD2      PHE  28  -1.987   7.165  -2.814
  212    HE1  PHE  28           HE1      PHE  28  -1.824  12.071  -3.523
  213    HE2  PHE  28           HE2      PHE  28   0.193   8.296  -3.160
  214    HZ   PHE  28           HZ       PHE  28   0.274  10.749  -3.515
  215    H    GLY  29           H        GLY  29  -5.900   6.966   0.631
  216   1HA   GLY  29          2HA       GLY  29  -8.236   6.728   1.179
  217   2HA   GLY  29          1HA       GLY  29  -8.644   7.266  -0.451
  218    NH1  ARG  30           NH1      ARG  30  -8.859   2.988   2.283
  219    NH2  ARG  30           NH2      ARG  30 -10.536   1.736   3.169
  220    H    ARG  30           H        ARG  30  -9.538   5.624  -1.586
  221    HA   ARG  30           HA       ARG  30  -8.666   2.854  -0.986
  222   1HB   ARG  30          2HB       ARG  30 -11.054   3.714  -2.616
  223   2HB   ARG  30          1HB       ARG  30 -10.742   2.127  -1.914
  224   1HG   ARG  30          2HG       ARG  30 -10.662   4.315   0.050
  225   2HG   ARG  30          1HG       ARG  30 -12.236   4.110  -0.717
  226   1HD   ARG  30          2HD       ARG  30 -12.207   2.682   1.217
  227   2HD   ARG  30          1HD       ARG  30 -12.059   1.637  -0.195
  228    HE   ARG  30           HE       ARG  30  -9.734   1.268   0.371
  229   1HH1  ARG  30          2HH1      ARG  30  -8.371   3.342   1.482
  230   2HH1  ARG  30          1HH1      ARG  30  -8.550   3.237   3.203
  231   1HH2  ARG  30          1HH2      ARG  30 -11.327   1.134   3.043
  232   2HH2  ARG  30          2HH2      ARG  30 -10.240   1.981   4.093
  233    HA   PRO  31           HA       PRO  31  -8.119   3.350  -5.757
  234   1HB   PRO  31          2HB       PRO  31  -6.552   5.518  -6.410
  235   2HB   PRO  31          1HB       PRO  31  -8.323   5.520  -6.477
  236   1HG   PRO  31          2HG       PRO  31  -6.516   6.757  -4.446
  237   2HG   PRO  31          1HG       PRO  31  -8.136   7.257  -4.962
  238   1HD   PRO  31          2HD       PRO  31  -7.552   5.873  -2.593
  239   2HD   PRO  31          1HD       PRO  31  -9.159   5.992  -3.343
  240    H    VAL  32           H        VAL  32  -5.568   4.702  -3.629
  241    HA   VAL  32           HA       VAL  32  -3.679   2.740  -4.851
  242    HB   VAL  32           HB       VAL  32  -2.894   5.000  -3.011
  243   1HG1  VAL  32          1HG1      VAL  32  -1.363   3.047  -3.850
  244   2HG1  VAL  32          3HG1      VAL  32  -1.374   3.929  -5.376
  245   3HG1  VAL  32          2HG1      VAL  32  -0.754   4.699  -3.918
  246   1HG2  VAL  32          2HG2      VAL  32  -4.147   5.255  -5.587
  247   2HG2  VAL  32          1HG2      VAL  32  -3.508   6.529  -4.550
  248   3HG2  VAL  32          3HG2      VAL  32  -2.458   5.739  -5.725
  249    H    LYS  33           H        LYS  33  -2.334   1.482  -3.327
  250    HA   LYS  33           HA       LYS  33  -3.478   1.364  -0.574
  251   1HB   LYS  33          2HB       LYS  33  -3.041  -0.916  -2.507
  252   2HB   LYS  33          1HB       LYS  33  -3.186  -1.172  -0.768
  253   1HG   LYS  33          2HG       LYS  33  -5.421  -0.653  -0.736
  254   2HG   LYS  33          1HG       LYS  33  -5.271   0.529  -2.037
  255   1HD   LYS  33          2HD       LYS  33  -4.618  -1.889  -3.257
  256   2HD   LYS  33          1HD       LYS  33  -5.959  -2.304  -2.187
  257   1HE   LYS  33          2HE       LYS  33  -7.039  -1.608  -4.167
  258   2HE   LYS  33          1HE       LYS  33  -7.095  -0.171  -3.144
  259   1HZ   LYS  33          1HZ       LYS  33  -4.683  -0.036  -4.444
  260   2HZ   LYS  33          3HZ       LYS  33  -5.771  -0.562  -5.633
  261   3HZ   LYS  33          2HZ       LYS  33  -6.072   0.881  -4.790
  262    H    CYS  34           H        CYS  34  -2.010   0.165   0.939
  263    HA   CYS  34           HA       CYS  34   0.801   0.892   0.370
  264   1HB   CYS  34          2HB       CYS  34  -0.716   0.073   2.845
  265   2HB   CYS  34          1HB       CYS  34   1.046   0.053   2.821
  266    H    CYS  35           H        CYS  35   2.404  -0.666   0.062
  267    HA   CYS  35           HA       CYS  35   1.575  -3.516   0.383
  268   1HB   CYS  35          2HB       CYS  35   2.754  -2.159  -2.035
  269   2HB   CYS  35          1HB       CYS  35   2.973  -3.887  -1.768
  270    NH1  ARG  36           NH2      ARG  36   5.843  -1.594   7.358
  271    NH2  ARG  36           NH1      ARG  36   5.074  -3.686   7.805
  272    H    ARG  36           H        ARG  36   3.120  -4.753   1.369
  273    HA   ARG  36           HA       ARG  36   5.949  -3.923   1.254
  274   1HB   ARG  36          2HB       ARG  36   4.487  -2.997   3.364
  275   2HB   ARG  36          1HB       ARG  36   5.046  -4.545   3.999
  276   1HG   ARG  36          2HG       ARG  36   7.351  -3.969   3.571
  277   2HG   ARG  36          1HG       ARG  36   6.876  -2.511   2.698
  278   1HD   ARG  36          2HD       ARG  36   7.581  -1.926   4.970
  279   2HD   ARG  36          1HD       ARG  36   5.854  -1.625   4.779
  280    HE   ARG  36           HE       ARG  36   6.575  -4.262   5.886
  281   1HH1  ARG  36          1HH2      ARG  36   6.360  -0.965   6.774
  282   2HH1  ARG  36          2HH2      ARG  36   5.394  -1.248   8.183
  283   1HH2  ARG  36          2HH1      ARG  36   5.004  -4.656   7.559
  284   2HH2  ARG  36          1HH1      ARG  36   4.628  -3.350   8.635
  285    H    SER  37           H        SER  37   7.369  -5.655   2.030
  286    HA   SER  37           HA       SER  37   6.232  -8.292   1.466
  287   1HB   SER  37          2HB       SER  37   8.941  -8.299   2.528
  288   2HB   SER  37          1HB       SER  37   8.366  -8.807   0.942
  289    HG   SER  37           HG       SER  37   9.780  -7.003   0.821
  290    CH2  TRP  38           CH2      TRP  38  10.667  -3.472   4.156
  291    H    TRP  38           HN       TRP  38   7.360  -6.482   4.274
  292    HA   TRP  38           HA       TRP  38   6.502  -8.773   5.992
  293   1HB   TRP  38          2HB       TRP  38   8.112  -8.029   7.656
  294   2HB   TRP  38          1HB       TRP  38   8.952  -8.226   6.119
  295    HD1  TRP  38           HD1      TRP  38   7.925  -5.639   8.664
  296    HE1  TRP  38           HE1      TRP  38   8.937  -3.357   8.023
  297    HE3  TRP  38           HE3      TRP  38   9.705  -6.740   4.008
  298    HZ2  TRP  38           HZ2      TRP  38  10.320  -2.156   5.825
  299    HZ3  TRP  38           HZ3      TRP  38  10.863  -5.011   2.663
  300    HH2  TRP  38           HH2      TRP  38  11.173  -2.723   3.566
   
  Start of MODEL           2
 Raw file had  300 H/Q atoms
  Start of MODEL    2
    1   1H    ALA   1          2H        ALA   1   5.067  10.235  12.480
    2   2H    ALA   1          1H        ALA   1   6.318  10.839  13.458
    3   3H    ALA   1          3H        ALA   1   5.506  11.872  12.385
    4    HA   ALA   1           HA       ALA   1   6.816  11.349  10.701
    5   1HB   ALA   1          3HB       ALA   1   8.216  10.527  13.118
    6   2HB   ALA   1          2HB       ALA   1   8.734   9.584  11.721
    7   3HB   ALA   1          1HB       ALA   1   8.845  11.343  11.685
    8    HA   PRO   2           HA       PRO   2   6.670   6.639  10.183
    9   1HB   PRO   2          2HB       PRO   2   6.020   5.086  12.358
   10   2HB   PRO   2          1HB       PRO   2   7.679   5.551  11.944
   11   1HG   PRO   2          2HG       PRO   2   5.928   6.587  14.124
   12   2HG   PRO   2          1HG       PRO   2   7.697   6.531  14.033
   13   1HD   PRO   2          2HD       PRO   2   6.085   8.812  13.588
   14   2HD   PRO   2          1HD       PRO   2   7.808   8.652  13.190
   15    H    LEU   3           H        LEU   3   4.685   7.521   9.156
   16    HA   LEU   3           HA       LEU   3   2.141   7.160  10.578
   17   1HB   LEU   3          2HB       LEU   3   3.041   8.376   8.037
   18   2HB   LEU   3          1HB       LEU   3   1.462   7.594   7.958
   19    HG   LEU   3           HG       LEU   3   1.340  10.008   8.623
   20   1HD1  LEU   3          3HD1      LEU   3   0.260   7.714  10.122
   21   2HD1  LEU   3          2HD1      LEU   3   0.219   9.234  11.013
   22   3HD1  LEU   3          1HD1      LEU   3  -0.574   9.109   9.443
   23   1HD2  LEU   3          3HD2      LEU   3   3.553   9.694  10.004
   24   2HD2  LEU   3          2HD2      LEU   3   2.314  10.799  10.600
   25   3HD2  LEU   3          1HD2      LEU   3   2.459   9.182  11.290
   26    H    SER   4           H        SER   4   0.400   5.975   9.032
   27    HA   SER   4           HA       SER   4   1.008   3.210   9.096
   28   1HB   SER   4          2HB       SER   4  -0.956   3.943   7.056
   29   2HB   SER   4          1HB       SER   4  -1.174   3.006   8.532
   30    HG   SER   4           HG       SER   4  -2.149   5.279   8.228
   31    H    CYS   5           H        CYS   5   1.407   1.737   7.322
   32    HA   CYS   5           HA       CYS   5   2.342   1.063   5.282
   33   1HB   CYS   5          2HB       CYS   5   2.247   3.919   4.316
   34   2HB   CYS   5          1HB       CYS   5   2.151   2.434   3.372
   35    H    GLY   6           H        GLY   6   3.566   4.389   5.901
   36   1HA   GLY   6          2HA       GLY   6   6.244   3.805   5.137
   37   2HA   GLY   6          1HA       GLY   6   5.766   5.140   6.187
   38    NH1  ARG   7           NH1      ARG   7   2.559   4.900  13.672
   39    NH2  ARG   7           NH2      ARG   7   2.099   2.937  14.723
   40    H    ARG   7           H        ARG   7   4.710   3.819   8.370
   41    HA   ARG   7           HA       ARG   7   7.077   3.013   9.772
   42   1HB   ARG   7          2HB       ARG   7   5.648   2.615  11.643
   43   2HB   ARG   7          1HB       ARG   7   4.947   3.984  10.781
   44   1HG   ARG   7          2HG       ARG   7   3.526   2.218   9.533
   45   2HG   ARG   7          1HG       ARG   7   4.010   1.119  10.827
   46   1HD   ARG   7          2HD       ARG   7   2.468   3.708  11.080
   47   2HD   ARG   7          1HD       ARG   7   1.942   2.088  11.533
   48    HE   ARG   7           HE       ARG   7   4.247   2.597  13.057
   49   1HH1  ARG   7          2HH1      ARG   7   3.000   5.399  12.921
   50   2HH1  ARG   7          1HH1      ARG   7   2.033   5.401  14.362
   51   1HH2  ARG   7          1HH2      ARG   7   2.188   1.939  14.773
   52   2HH2  ARG   7          2HH2      ARG   7   1.571   3.425  15.421
   53    H    ASN   8           H        ASN   8   4.640   1.216   7.990
   54    HA   ASN   8           HA       ASN   8   5.565  -1.360   9.052
   55   1HB   ASN   8          2HB       ASN   8   3.726  -0.846   6.702
   56   2HB   ASN   8          1HB       ASN   8   3.892  -2.346   7.617
   57   1HD2  ASN   8          2HD2      ASN   8   2.007  -1.134  10.427
   58   2HD2  ASN   8          1HD2      ASN   8   3.232  -2.224   9.987
   59    H    GLY   9           H        GLY   9   6.528   0.783   6.565
   60   1HA   GLY   9          2HA       GLY   9   8.471   0.475   5.217
   61   2HA   GLY   9          1HA       GLY   9   8.401  -1.256   5.551
   62    H    GLY  10           H        GLY  10   5.347  -0.005   4.694
   63   1HA   GLY  10          2HA       GLY  10   5.614  -1.286   2.033
   64   2HA   GLY  10          1HA       GLY  10   4.094  -0.899   2.840
   65    H    VAL  11           H        VAL  11   4.811  -0.148   0.131
   66    HA   VAL  11           HA       VAL  11   4.945   2.823   0.458
   67    HB   VAL  11           HB       VAL  11   5.543   2.606  -2.115
   68   1HG1  VAL  11          1HG1      VAL  11   7.150   2.483   0.361
   69   2HG1  VAL  11          3HG1      VAL  11   8.010   1.997  -1.100
   70   3HG1  VAL  11          2HG1      VAL  11   7.268   3.593  -1.003
   71   1HG2  VAL  11          3HG2      VAL  11   5.188   0.140  -2.148
   72   2HG2  VAL  11          2HG2      VAL  11   6.838   0.576  -2.591
   73   3HG2  VAL  11          1HG2      VAL  11   6.495  -0.045  -0.979
   74    H    CYS  12           H        CYS  12   3.575   4.048  -1.061
   75    HA   CYS  12           HA       CYS  12   0.937   2.833  -1.303
   76   1HB   CYS  12          2HB       CYS  12   2.052   5.530  -2.112
   77   2HB   CYS  12          1HB       CYS  12   0.371   5.069  -2.368
   78    H    ILE  13           H        ILE  13   1.124   1.163  -2.850
   79    HA   ILE  13           HA       ILE  13   2.065   1.945  -5.560
   80    HB   ILE  13           HB       ILE  13   1.205  -0.839  -4.861
   81   1HG1  ILE  13          2HG1      ILE  13   3.728   0.553  -3.928
   82   2HG1  ILE  13          1HG1      ILE  13   2.568  -0.350  -2.954
   83   1HG2  ILE  13          3HG2      ILE  13   3.116   0.527  -6.732
   84   2HG2  ILE  13          2HG2      ILE  13   3.393  -1.158  -6.297
   85   3HG2  ILE  13          1HG2      ILE  13   1.889  -0.689  -7.085
   86   1HD1  ILE  13          2HD1      ILE  13   3.211  -2.324  -4.590
   87   2HD1  ILE  13          1HD1      ILE  13   4.677  -1.373  -4.820
   88   3HD1  ILE  13          3HD1      ILE  13   4.238  -1.942  -3.209
   89    HA   PRO  14           HA       PRO  14  -2.251   2.259  -6.585
   90   1HB   PRO  14          2HB       PRO  14  -1.801   3.144  -9.150
   91   2HB   PRO  14          1HB       PRO  14  -1.713   4.191  -7.723
   92   1HG   PRO  14          2HG       PRO  14   0.505   3.092  -9.382
   93   2HG   PRO  14          1HG       PRO  14   0.470   4.553  -8.381
   94   1HD   PRO  14          2HD       PRO  14   1.673   2.080  -7.681
   95   2HD   PRO  14          1HD       PRO  14   1.365   3.445  -6.587
   96    H    ILE  15           H        ILE  15  -3.568   1.429  -8.576
   97    HA   ILE  15           HA       ILE  15  -4.274  -0.454  -9.771
   98    HB   ILE  15           HB       ILE  15  -1.406  -0.902 -10.569
   99   1HG1  ILE  15          2HG1      ILE  15  -2.954   1.598 -10.792
  100   2HG1  ILE  15          1HG1      ILE  15  -1.219   1.331 -10.971
  101   1HG2  ILE  15          1HG2      ILE  15  -3.764  -1.989 -11.402
  102   2HG2  ILE  15          3HG2      ILE  15  -3.615  -0.644 -12.531
  103   3HG2  ILE  15          2HG2      ILE  15  -2.336  -1.853 -12.424
  104   1HD1  ILE  15          1HD1      ILE  15  -1.836   0.223 -13.232
  105   2HD1  ILE  15          3HD1      ILE  15  -3.393   1.024 -13.035
  106   3HD1  ILE  15          2HD1      ILE  15  -1.915   1.981 -13.129
  107    NH1  ARG  16           NH2      ARG  16  -0.540  -8.562  -8.181
  108    NH2  ARG  16           NH1      ARG  16   0.259  -9.446 -10.119
  109    H    ARG  16           H        ARG  16  -1.783  -2.584 -10.033
  110    HA   ARG  16           HA       ARG  16  -2.628  -3.945  -7.521
  111   1HB   ARG  16          2HB       ARG  16  -1.818  -6.021  -8.609
  112   2HB   ARG  16          1HB       ARG  16  -3.064  -5.226  -9.571
  113   1HG   ARG  16          2HG       ARG  16  -1.644  -5.069 -11.310
  114   2HG   ARG  16          1HG       ARG  16  -0.511  -4.151 -10.316
  115   1HD   ARG  16          2HD       ARG  16   0.402  -6.320 -11.287
  116   2HD   ARG  16          1HD       ARG  16   0.565  -6.144  -9.540
  117    HE   ARG  16           HE       ARG  16  -1.827  -7.588 -10.528
  118   1HH1  ARG  16          1HH2      ARG  16  -1.041  -7.840  -7.700
  119   2HH1  ARG  16          2HH2      ARG  16  -0.142  -9.320  -7.662
  120   1HH2  ARG  16          2HH1      ARG  16   0.365  -9.400 -11.114
  121   2HH2  ARG  16          1HH1      ARG  16   0.660 -10.212  -9.610
  122    H    CYS  17           H        CYS  17  -0.866  -5.261  -6.457
  123    HA   CYS  17           HA       CYS  17   1.720  -3.772  -6.624
  124   1HB   CYS  17          2HB       CYS  17   0.779  -5.336  -4.218
  125   2HB   CYS  17          1HB       CYS  17   1.983  -4.047  -4.291
  126    HA   PRO  18           HA       PRO  18   3.650  -7.556  -7.682
  127   1HB   PRO  18          2HB       PRO  18   6.174  -7.039  -6.716
  128   2HB   PRO  18          1HB       PRO  18   5.520  -6.315  -8.197
  129   1HG   PRO  18          2HG       PRO  18   5.919  -5.071  -5.513
  130   2HG   PRO  18          1HG       PRO  18   5.894  -4.307  -7.111
  131   1HD   PRO  18          2HD       PRO  18   3.776  -4.283  -5.241
  132   2HD   PRO  18          1HD       PRO  18   3.652  -3.846  -6.960
  133    H    VAL  19           H        VAL  19   4.942  -9.394  -6.676
  134    HA   VAL  19           HA       VAL  19   3.755 -10.218  -4.198
  135    HB   VAL  19           HB       VAL  19   5.356 -12.122  -4.337
  136   1HG1  VAL  19          2HG1      VAL  19   3.220 -11.669  -5.895
  137   2HG1  VAL  19          1HG1      VAL  19   4.455 -11.727  -7.152
  138   3HG1  VAL  19          3HG1      VAL  19   4.221 -13.108  -6.080
  139   1HG2  VAL  19          1HG2      VAL  19   6.741 -10.203  -6.053
  140   2HG2  VAL  19          3HG2      VAL  19   7.361 -11.659  -5.279
  141   3HG2  VAL  19          2HG2      VAL  19   6.544 -11.770  -6.836
  142    HA   PRO  20           HA       PRO  20   4.355 -11.684  -2.702
  143   1HB   PRO  20          2HB       PRO  20   4.084 -11.533   0.028
  144   2HB   PRO  20          1HB       PRO  20   5.416 -12.377  -0.780
  145   1HG   PRO  20          2HG       PRO  20   5.451  -9.772   0.660
  146   2HG   PRO  20          1HG       PRO  20   6.779 -10.902   0.355
  147   1HD   PRO  20          2HD       PRO  20   6.261  -8.487  -1.058
  148   2HD   PRO  20          1HD       PRO  20   7.432  -9.744  -1.509
  149    H    MET  21           H        MET  21   3.820  -8.461  -2.630
  150    HA   MET  21           HA       MET  21   1.909  -7.133  -2.468
  151   1HB   MET  21          2HB       MET  21   1.041  -9.108  -3.867
  152   2HB   MET  21          1HB       MET  21   0.326  -9.706  -2.368
  153   1HG   MET  21          2HG       MET  21  -1.302  -8.124  -2.375
  154   2HG   MET  21          1HG       MET  21  -0.189  -6.851  -2.884
  155   1HE   MET  21          2HE       MET  21  -2.758  -9.349  -3.625
  156   2HE   MET  21          1HE       MET  21  -2.812  -9.605  -5.367
  157   3HE   MET  21          3HE       MET  21  -1.515 -10.326  -4.403
  158    NH1  ARG  22           NH1      ARG  22   3.997 -11.532   2.552
  159    NH2  ARG  22           NH2      ARG  22   6.059 -11.284   3.474
  160    H    ARG  22           H        ARG  22   3.060  -7.155  -0.134
  161    HA   ARG  22           HA       ARG  22   1.247  -8.249   1.926
  162   1HB   ARG  22          2HB       ARG  22   3.845  -8.185   2.042
  163   2HB   ARG  22          1HB       ARG  22   3.638  -6.483   2.445
  164   1HG   ARG  22          2HG       ARG  22   3.389  -7.176   4.588
  165   2HG   ARG  22          1HG       ARG  22   1.791  -7.729   4.088
  166   1HD   ARG  22          2HD       ARG  22   3.356  -9.439   5.252
  167   2HD   ARG  22          1HD       ARG  22   2.512  -9.948   3.791
  168    HE   ARG  22           HE       ARG  22   5.214  -8.843   3.370
  169   1HH1  ARG  22          2HH1      ARG  22   3.095 -11.156   2.330
  170   2HH1  ARG  22          1HH1      ARG  22   4.224 -12.469   2.285
  171   1HH2  ARG  22          1HH2      ARG  22   6.732 -10.717   3.956
  172   2HH2  ARG  22          2HH2      ARG  22   6.295 -12.219   3.210
  173    H    GLN  23           H        GLN  23  -0.621  -6.939   1.526
  174    HA   GLN  23           HA       GLN  23  -0.442  -4.049   1.431
  175   1HB   GLN  23          2HB       GLN  23  -2.497  -6.060   1.137
  176   2HB   GLN  23          1HB       GLN  23  -3.055  -4.775   2.209
  177   1HG   GLN  23          2HG       GLN  23  -3.418  -3.477   0.412
  178   2HG   GLN  23          1HG       GLN  23  -1.686  -3.509   0.073
  179   1HE2  GLN  23          2HE2      GLN  23  -4.150  -6.116  -1.942
  180   2HE2  GLN  23          1HE2      GLN  23  -4.660  -5.473  -0.456
  181    H    ILE  24           H        ILE  24  -0.183  -2.729   3.143
  182    HA   ILE  24           HA       ILE  24  -1.138  -3.674   5.815
  183    HB   ILE  24           HB       ILE  24   0.809  -2.474   6.816
  184   1HG1  ILE  24          2HG1      ILE  24   0.996  -1.281   4.335
  185   2HG1  ILE  24          1HG1      ILE  24   2.252  -1.237   5.571
  186   1HG2  ILE  24          1HG2      ILE  24   1.379  -4.677   4.818
  187   2HG2  ILE  24          3HG2      ILE  24   2.552  -4.129   6.015
  188   3HG2  ILE  24          2HG2      ILE  24   1.031  -4.853   6.537
  189   1HD1  ILE  24          2HD1      ILE  24   2.100  -3.574   3.691
  190   2HD1  ILE  24          1HD1      ILE  24   2.851  -2.074   3.159
  191   3HD1  ILE  24          3HD1      ILE  24   3.496  -2.933   4.555
  192    H    GLY  25           H        GLY  25  -2.502  -1.973   3.859
  193   1HA   GLY  25          2HA       GLY  25  -3.794  -0.081   5.228
  194   2HA   GLY  25          1HA       GLY  25  -2.249   0.744   5.006
  195    H    THR  26           H        THR  26  -4.163   2.106   3.863
  196    HA   THR  26           HA       THR  26  -4.026   1.357   0.974
  197    HB   THR  26           HB       THR  26  -6.282   2.512   0.789
  198    HG1  THR  26           HG1      THR  26  -6.709   3.563   2.569
  199   1HG2  THR  26          2HG2      THR  26  -5.678  -0.081   2.085
  200   2HG2  THR  26          1HG2      THR  26  -7.340   0.484   2.254
  201   3HG2  THR  26          3HG2      THR  26  -6.643   0.262   0.649
  202    H    CYS  27           H        CYS  27  -4.278   3.328  -0.460
  203    HA   CYS  27           HA       CYS  27  -3.312   5.811   0.884
  204   1HB   CYS  27          2HB       CYS  27  -2.178   4.572  -1.639
  205   2HB   CYS  27          1HB       CYS  27  -1.732   6.153  -1.003
  206    H    PHE  28           H        PHE  28  -4.408   7.587   0.217
  207    HA   PHE  28           HA       PHE  28  -5.949   8.910  -0.944
  208   1HB   PHE  28          2HB       PHE  28  -5.075   7.327  -3.371
  209   2HB   PHE  28          1HB       PHE  28  -5.723   8.968  -3.334
  210    HD1  PHE  28           HD2      PHE  28  -4.394  10.656  -1.773
  211    HD2  PHE  28           HD1      PHE  28  -2.761   7.050  -3.437
  212    HE1  PHE  28           HE2      PHE  28  -2.103  11.554  -1.475
  213    HE2  PHE  28           HE1      PHE  28  -0.470   7.948  -3.139
  214    HZ   PHE  28           HZ       PHE  28  -0.141  10.201  -2.157
  215    H    GLY  29           H        GLY  29  -6.934   6.405   0.205
  216   1HA   GLY  29          2HA       GLY  29  -9.224   5.658   0.191
  217   2HA   GLY  29          1HA       GLY  29  -9.347   6.157  -1.496
  218    NH1  ARG  30           NH1      ARG  30 -11.083  -1.502  -4.078
  219    NH2  ARG  30           NH2      ARG  30 -13.201  -1.850  -3.343
  220    H    ARG  30           H        ARG  30  -9.829   4.298  -2.587
  221    HA   ARG  30           HA       ARG  30  -8.335   1.836  -1.889
  222   1HB   ARG  30          2HB       ARG  30 -10.847   2.321  -3.480
  223   2HB   ARG  30          1HB       ARG  30 -10.058   0.747  -3.380
  224   1HG   ARG  30          2HG       ARG  30 -10.187   0.936  -0.865
  225   2HG   ARG  30          1HG       ARG  30 -11.182   2.376  -1.087
  226   1HD   ARG  30          2HD       ARG  30 -12.013  -0.351  -1.137
  227   2HD   ARG  30          1HD       ARG  30 -12.998   1.090  -1.391
  228    HE   ARG  30           HE       ARG  30 -12.430   0.902  -3.827
  229   1HH1  ARG  30          1HH1      ARG  30 -11.019  -2.460  -4.362
  230   2HH1  ARG  30          2HH1      ARG  30 -10.303  -0.890  -4.214
  231   1HH2  ARG  30          1HH2      ARG  30 -14.038  -1.502  -2.915
  232   2HH2  ARG  30          2HH2      ARG  30 -13.148  -2.810  -3.623
  233    HA   PRO  31           HA       PRO  31  -7.366   2.635  -6.537
  234   1HB   PRO  31          2HB       PRO  31  -6.062   5.036  -6.868
  235   2HB   PRO  31          1HB       PRO  31  -7.796   4.810  -7.161
  236   1HG   PRO  31          2HG       PRO  31  -6.436   6.141  -4.862
  237   2HG   PRO  31          1HG       PRO  31  -8.047   6.437  -5.538
  238   1HD   PRO  31          2HD       PRO  31  -7.504   4.977  -3.195
  239   2HD   PRO  31          1HD       PRO  31  -9.033   4.951  -4.100
  240    H    VAL  32           H        VAL  32  -5.356   4.222  -4.035
  241    HA   VAL  32           HA       VAL  32  -3.061   2.570  -4.994
  242    HB   VAL  32           HB       VAL  32  -2.909   4.960  -3.148
  243   1HG1  VAL  32          1HG1      VAL  32  -0.984   3.364  -4.830
  244   2HG1  VAL  32          3HG1      VAL  32  -0.598   5.009  -4.332
  245   3HG1  VAL  32          2HG1      VAL  32  -0.876   3.762  -3.117
  246   1HG2  VAL  32          1HG2      VAL  32  -2.877   4.859  -6.177
  247   2HG2  VAL  32          3HG2      VAL  32  -3.981   5.776  -5.152
  248   3HG2  VAL  32          2HG2      VAL  32  -2.281   6.232  -5.246
  249    H    LYS  33           H        LYS  33  -1.891   1.360  -3.378
  250    HA   LYS  33           HA       LYS  33  -3.228   1.216  -0.713
  251   1HB   LYS  33          2HB       LYS  33  -2.444  -1.147  -2.446
  252   2HB   LYS  33          1HB       LYS  33  -3.064  -1.252  -0.798
  253   1HG   LYS  33          2HG       LYS  33  -5.206  -0.856  -1.446
  254   2HG   LYS  33          1HG       LYS  33  -4.725   0.369  -2.618
  255   1HD   LYS  33          2HD       LYS  33  -3.816  -2.279  -3.412
  256   2HD   LYS  33          1HD       LYS  33  -5.566  -2.233  -3.198
  257   1HE   LYS  33          2HE       LYS  33  -5.368  -1.522  -5.408
  258   2HE   LYS  33          1HE       LYS  33  -5.382   0.020  -4.552
  259   1HZ   LYS  33          2HZ       LYS  33  -2.883  -1.428  -5.215
  260   2HZ   LYS  33          1HZ       LYS  33  -3.579  -0.275  -6.246
  261   3HZ   LYS  33          3HZ       LYS  33  -3.052   0.182  -4.705
  262    H    CYS  34           H        CYS  34  -1.830   0.206   0.938
  263    HA   CYS  34           HA       CYS  34   0.999   0.930   0.481
  264   1HB   CYS  34          2HB       CYS  34  -0.314  -0.108   3.009
  265   2HB   CYS  34          1HB       CYS  34   1.244   0.707   2.878
  266    H    CYS  35           H        CYS  35   1.457  -0.859  -0.985
  267    HA   CYS  35           HA       CYS  35   1.294  -3.565   0.217
  268   1HB   CYS  35          2HB       CYS  35   2.293  -2.911  -2.554
  269   2HB   CYS  35          1HB       CYS  35   1.583  -4.417  -1.969
  270    NH1  ARG  36           NH2      ARG  36   6.781  -5.156   6.972
  271    NH2  ARG  36           NH1      ARG  36   7.180  -7.108   5.883
  272    H    ARG  36           H        ARG  36   3.112  -4.767   0.695
  273    HA   ARG  36           HA       ARG  36   5.705  -3.291   0.604
  274   1HB   ARG  36          2HB       ARG  36   4.485  -4.350   2.778
  275   2HB   ARG  36          1HB       ARG  36   5.415  -5.750   2.247
  276   1HG   ARG  36          2HG       ARG  36   7.466  -4.654   2.511
  277   2HG   ARG  36          1HG       ARG  36   6.728  -3.053   2.443
  278   1HD   ARG  36          2HD       ARG  36   7.442  -3.753   4.758
  279   2HD   ARG  36          1HD       ARG  36   5.733  -3.342   4.625
  280    HE   ARG  36           HE       ARG  36   5.467  -5.942   4.330
  281   1HH1  ARG  36          1HH2      ARG  36   6.413  -4.223   6.975
  282   2HH1  ARG  36          2HH2      ARG  36   7.213  -5.522   7.798
  283   1HH2  ARG  36          2HH1      ARG  36   7.117  -7.666   5.052
  284   2HH2  ARG  36          1HH1      ARG  36   7.615  -7.483   6.702
  285    H    SER  37           H        SER  37   7.578  -4.478  -0.091
  286    HA   SER  37           HA       SER  37   6.903  -6.691  -1.948
  287   1HB   SER  37          2HB       SER  37   9.688  -5.810  -1.899
  288   2HB   SER  37          1HB       SER  37   8.559  -5.881  -3.250
  289    HG   SER  37           HG       SER  37   9.011  -3.739  -2.868
  290    CH2  TRP  38           CH2      TRP  38   9.989  -2.543   1.941
  291    H    TRP  38           HN       TRP  38   7.299  -6.800   1.139
  292    HA   TRP  38           HA       TRP  38   8.638  -9.369   1.144
  293   1HB   TRP  38          2HB       TRP  38  10.480  -8.755   2.646
  294   2HB   TRP  38          1HB       TRP  38  10.606  -7.845   1.142
  295    HD1  TRP  38           HD1      TRP  38   9.879  -7.449   4.844
  296    HE1  TRP  38           HE1      TRP  38   9.834  -4.939   5.431
  297    HE3  TRP  38           HE3      TRP  38  10.095  -5.446   0.157
  298    HZ2  TRP  38           HZ2      TRP  38   9.883  -2.414   4.087
  299    HZ3  TRP  38           HZ3      TRP  38  10.094  -2.990  -0.162
  300    HH2  TRP  38           HH2      TRP  38   9.987  -1.472   1.795
   
  Start of MODEL           3
 Raw file had  300 H/Q atoms
  Start of MODEL    3
    1   1H    ALA   1          3H        ALA   1   2.224  11.752  -7.198
    2   2H    ALA   1          2H        ALA   1   0.700  12.509  -7.184
    3   3H    ALA   1          1H        ALA   1   2.086  13.372  -6.718
    4    HA   ALA   1           HA       ALA   1   1.299  12.875  -4.665
    5   1HB   ALA   1          3HB       ALA   1  -0.392  11.194  -6.111
    6   2HB   ALA   1          2HB       ALA   1   0.476  10.096  -5.039
    7   3HB   ALA   1          1HB       ALA   1  -0.433  11.449  -4.366
    8    HA   PRO   2           HA       PRO   2   4.890  10.665  -3.468
    9   1HB   PRO   2          2HB       PRO   2   4.276  10.222  -0.824
   10   2HB   PRO   2          1HB       PRO   2   4.771  11.798  -1.465
   11   1HG   PRO   2          2HG       PRO   2   2.058  10.876  -0.639
   12   2HG   PRO   2          1HG       PRO   2   2.720  12.518  -0.681
   13   1HD   PRO   2          2HD       PRO   2   0.967  11.391  -2.595
   14   2HD   PRO   2          1HD       PRO   2   1.897  12.892  -2.787
   15    H    LEU   3           H        LEU   3   5.455   8.534  -3.749
   16    HA   LEU   3           HA       LEU   3   3.345   6.480  -3.419
   17   1HB   LEU   3          2HB       LEU   3   5.626   6.843  -5.161
   18   2HB   LEU   3          1HB       LEU   3   5.723   5.281  -4.345
   19    HG   LEU   3           HG       LEU   3   3.426   4.754  -5.055
   20   1HD1  LEU   3          3HD1      LEU   3   2.997   7.402  -5.214
   21   2HD1  LEU   3          2HD1      LEU   3   3.373   7.092  -6.908
   22   3HD1  LEU   3          1HD1      LEU   3   2.035   6.244  -6.131
   23   1HD2  LEU   3          2HD2      LEU   3   5.710   5.071  -6.759
   24   2HD2  LEU   3          1HD2      LEU   3   4.419   3.875  -6.875
   25   3HD2  LEU   3          3HD2      LEU   3   4.259   5.428  -7.697
   26    H    SER   4           H        SER   4   5.124   7.813  -1.205
   27    HA   SER   4           HA       SER   4   6.299   5.308  -0.113
   28   1HB   SER   4          2HB       SER   4   6.740   7.698   1.476
   29   2HB   SER   4          1HB       SER   4   7.921   6.624   0.731
   30    HG   SER   4           HG       SER   4   7.921   8.810  -0.097
   31    H    CYS   5           H        CYS   5   4.925   4.216   1.209
   32    HA   CYS   5           HA       CYS   5   2.770   5.690   2.602
   33   1HB   CYS   5          2HB       CYS   5   2.292   3.519   1.447
   34   2HB   CYS   5          1HB       CYS   5   3.382   2.719   2.578
   35    H    GLY   6           H        GLY   6   4.345   6.817   4.000
   36   1HA   GLY   6          2HA       GLY   6   6.072   5.385   5.794
   37   2HA   GLY   6          1HA       GLY   6   5.563   7.061   5.991
   38    NH1  ARG   7           NH2      ARG   7  -1.806   4.112   5.039
   39    NH2  ARG   7           NH1      ARG   7  -3.185   5.837   4.511
   40    H    ARG   7           H        ARG   7   2.657   6.131   5.890
   41    HA   ARG   7           HA       ARG   7   2.164   6.019   8.666
   42   1HB   ARG   7          2HB       ARG   7   0.484   4.990   6.363
   43   2HB   ARG   7          1HB       ARG   7  -0.098   5.145   8.021
   44   1HG   ARG   7          2HG       ARG   7   0.071   7.498   7.989
   45   2HG   ARG   7          1HG       ARG   7   1.147   7.490   6.590
   46   1HD   ARG   7          2HD       ARG   7  -1.442   8.059   6.328
   47   2HD   ARG   7          1HD       ARG   7  -0.578   7.152   5.087
   48    HE   ARG   7           HE       ARG   7  -2.103   5.730   7.231
   49   1HH1  ARG   7          1HH2      ARG   7  -1.109   3.708   5.635
   50   2HH1  ARG   7          2HH2      ARG   7  -2.143   3.599   4.247
   51   1HH2  ARG   7          2HH1      ARG   7  -3.541   6.752   4.703
   52   2HH2  ARG   7          1HH1      ARG   7  -3.525   5.324   3.719
   53    H    ASN   8           H        ASN   8   2.310   3.326   6.317
   54    HA   ASN   8           HA       ASN   8   2.437   1.468   8.652
   55   1HB   ASN   8          2HB       ASN   8   1.837   0.761   5.771
   56   2HB   ASN   8          1HB       ASN   8   1.624  -0.262   7.193
   57   1HD2  ASN   8          2HD2      ASN   8  -1.409   1.332   8.214
   58   2HD2  ASN   8          1HD2      ASN   8  -0.106   0.386   8.751
   59    H    GLY   9           H        GLY   9   4.540   3.043   6.726
   60   1HA   GLY   9          2HA       GLY   9   6.788   2.643   6.212
   61   2HA   GLY   9          1HA       GLY   9   6.684   1.203   7.227
   62    H    GLY  10           H        GLY  10   5.051   2.152   4.185
   63   1HA   GLY  10          2HA       GLY  10   6.326  -0.164   2.840
   64   2HA   GLY  10          1HA       GLY  10   4.562  -0.132   2.907
   65    H    VAL  11           H        VAL  11   4.716  -0.012   0.494
   66    HA   VAL  11           HA       VAL  11   5.321   2.785  -0.387
   67    HB   VAL  11           HB       VAL  11   5.229   1.243  -2.699
   68   1HG1  VAL  11          1HG1      VAL  11   7.630   2.028  -1.018
   69   2HG1  VAL  11          3HG1      VAL  11   7.667   1.634  -2.738
   70   3HG1  VAL  11          2HG1      VAL  11   6.805   3.066  -2.179
   71   1HG2  VAL  11          2HG2      VAL  11   5.271  -0.819  -1.325
   72   2HG2  VAL  11          1HG2      VAL  11   6.758  -0.642  -2.254
   73   3HG2  VAL  11          3HG2      VAL  11   6.743  -0.256  -0.534
   74    H    CYS  12           H        CYS  12   3.723   3.854  -1.539
   75    HA   CYS  12           HA       CYS  12   1.026   2.708  -1.388
   76   1HB   CYS  12          2HB       CYS  12   2.124   5.380  -2.291
   77   2HB   CYS  12          1HB       CYS  12   0.420   4.959  -2.459
   78    H    ILE  13           H        ILE  13   1.276   0.959  -2.935
   79    HA   ILE  13           HA       ILE  13   1.743   1.792  -5.747
   80    HB   ILE  13           HB       ILE  13   1.277  -1.035  -4.808
   81   1HG1  ILE  13          2HG1      ILE  13   3.883   0.526  -4.767
   82   2HG1  ILE  13          1HG1      ILE  13   3.035  -0.116  -3.360
   83   1HG2  ILE  13          1HG2      ILE  13   2.610   0.319  -7.151
   84   2HG2  ILE  13          3HG2      ILE  13   2.975  -1.356  -6.738
   85   3HG2  ILE  13          2HG2      ILE  13   1.328  -0.892  -7.165
   86   1HD1  ILE  13          2HD1      ILE  13   3.228  -2.406  -4.621
   87   2HD1  ILE  13          1HD1      ILE  13   4.520  -1.600  -5.511
   88   3HD1  ILE  13          3HD1      ILE  13   4.632  -1.777  -3.760
   89    HA   PRO  14           HA       PRO  14  -2.672   1.685  -6.257
   90   1HB   PRO  14          2HB       PRO  14  -2.618   2.474  -8.888
   91   2HB   PRO  14          1HB       PRO  14  -2.434   3.596  -7.528
   92   1HG   PRO  14          2HG       PRO  14  -0.363   2.583  -9.416
   93   2HG   PRO  14          1HG       PRO  14  -0.385   4.083  -8.474
   94   1HD   PRO  14          2HD       PRO  14   1.080   1.731  -7.846
   95   2HD   PRO  14          1HD       PRO  14   0.825   3.129  -6.779
   96    H    ILE  15           H        ILE  15  -4.104   0.740  -8.187
   97    HA   ILE  15           HA       ILE  15  -4.808  -1.249  -9.207
   98    HB   ILE  15           HB       ILE  15  -2.021  -1.666 -10.232
   99   1HG1  ILE  15          2HG1      ILE  15  -3.787   0.729 -10.790
  100   2HG1  ILE  15          1HG1      ILE  15  -2.093   0.724 -10.299
  101   1HG2  ILE  15          3HG2      ILE  15  -4.337  -2.822 -10.880
  102   2HG2  ILE  15          2HG2      ILE  15  -4.490  -1.392 -11.901
  103   3HG2  ILE  15          1HG2      ILE  15  -3.115  -2.477 -12.104
  104   1HD1  ILE  15          2HD1      ILE  15  -2.041  -0.800 -12.596
  105   2HD1  ILE  15          1HD1      ILE  15  -3.264   0.412 -12.976
  106   3HD1  ILE  15          3HD1      ILE  15  -1.637   0.914 -12.512
  107    NH1  ARG  16           NH2      ARG  16   1.453  -5.952 -10.187
  108    NH2  ARG  16           NH1      ARG  16   1.548  -8.192 -10.543
  109    H    ARG  16           H        ARG  16  -2.531  -3.400  -9.689
  110    HA   ARG  16           HA       ARG  16  -2.807  -4.540  -6.950
  111   1HB   ARG  16          2HB       ARG  16  -2.300  -6.728  -8.097
  112   2HB   ARG  16          1HB       ARG  16  -3.799  -5.967  -8.628
  113   1HG   ARG  16          2HG       ARG  16  -3.044  -5.759 -10.742
  114   2HG   ARG  16          1HG       ARG  16  -1.524  -5.049 -10.197
  115   1HD   ARG  16          2HD       ARG  16  -2.141  -8.017 -10.129
  116   2HD   ARG  16          1HD       ARG  16  -1.219  -7.225 -11.405
  117    HE   ARG  16           HE       ARG  16  -0.327  -7.445  -8.560
  118   1HH1  ARG  16          1HH2      ARG  16   0.963  -5.149  -9.837
  119   2HH1  ARG  16          2HH2      ARG  16   2.350  -5.839 -10.615
  120   1HH2  ARG  16          2HH1      ARG  16   1.131  -9.100 -10.466
  121   2HH2  ARG  16          1HH1      ARG  16   2.445  -8.092 -10.974
  122    H    CYS  17           H        CYS  17  -0.971  -5.138  -5.817
  123    HA   CYS  17           HA       CYS  17   1.577  -4.079  -6.827
  124   1HB   CYS  17          2HB       CYS  17   1.157  -5.611  -4.256
  125   2HB   CYS  17          1HB       CYS  17   2.405  -4.422  -4.622
  126    HA   PRO  18           HA       PRO  18   3.186  -7.930  -8.172
  127   1HB   PRO  18          2HB       PRO  18   5.857  -7.523  -7.660
  128   2HB   PRO  18          1HB       PRO  18   4.988  -6.750  -8.996
  129   1HG   PRO  18          2HG       PRO  18   5.908  -5.564  -6.419
  130   2HG   PRO  18          1HG       PRO  18   5.622  -4.773  -7.978
  131   1HD   PRO  18          2HD       PRO  18   3.881  -4.721  -5.746
  132   2HD   PRO  18          1HD       PRO  18   3.474  -4.219  -7.401
  133    H    VAL  19           H        VAL  19   4.541  -9.832  -7.398
  134    HA   VAL  19           HA       VAL  19   3.752 -10.730  -4.827
  135    HB   VAL  19           HB       VAL  19   5.776 -11.606  -6.863
  136   1HG1  VAL  19          1HG1      VAL  19   6.863 -11.947  -4.640
  137   2HG1  VAL  19          3HG1      VAL  19   5.469 -12.903  -4.140
  138   3HG1  VAL  19          2HG1      VAL  19   6.492 -13.461  -5.459
  139   1HG2  VAL  19          3HG2      VAL  19   3.169 -12.521  -5.735
  140   2HG2  VAL  19          2HG2      VAL  19   3.727 -12.506  -7.407
  141   3HG2  VAL  19          1HG2      VAL  19   4.287 -13.761  -6.303
  142    HA   PRO  20           HA       PRO  20   4.343 -11.954  -3.257
  143   1HB   PRO  20          2HB       PRO  20   4.219 -11.562  -0.544
  144   2HB   PRO  20          1HB       PRO  20   5.481 -12.516  -1.340
  145   1HG   PRO  20          2HG       PRO  20   5.667  -9.796  -0.141
  146   2HG   PRO  20          1HG       PRO  20   6.943 -10.997  -0.401
  147   1HD   PRO  20          2HD       PRO  20   6.444  -8.700  -2.001
  148   2HD   PRO  20          1HD       PRO  20   7.538 -10.043  -2.396
  149    H    MET  21           H        MET  21   4.074  -8.574  -2.909
  150    HA   MET  21           HA       MET  21   2.221  -7.159  -2.791
  151   1HB   MET  21          2HB       MET  21   1.363  -8.901  -4.464
  152   2HB   MET  21          1HB       MET  21   0.504  -9.627  -3.105
  153   1HG   MET  21          2HG       MET  21  -0.043  -6.879  -2.928
  154   2HG   MET  21          1HG       MET  21  -0.181  -7.266  -4.642
  155   1HE   MET  21          2HE       MET  21  -0.890  -9.791  -5.111
  156   2HE   MET  21          1HE       MET  21  -2.535 -10.278  -4.711
  157   3HE   MET  21          3HE       MET  21  -2.248  -8.815  -5.663
  158    NH1  ARG  22           NH2      ARG  22   2.630 -11.818   1.253
  159    NH2  ARG  22           NH1      ARG  22   4.568 -12.456   2.254
  160    H    ARG  22           H        ARG  22   2.850  -6.971  -0.461
  161    HA   ARG  22           HA       ARG  22   0.917  -8.357   1.344
  162   1HB   ARG  22          2HB       ARG  22   3.660  -7.984   1.598
  163   2HB   ARG  22          1HB       ARG  22   2.981  -6.730   2.634
  164   1HG   ARG  22          2HG       ARG  22   2.232  -8.232   4.151
  165   2HG   ARG  22          1HG       ARG  22   1.605  -9.307   2.901
  166   1HD   ARG  22          2HD       ARG  22   4.496  -9.086   3.794
  167   2HD   ARG  22          1HD       ARG  22   3.404 -10.433   4.113
  168    HE   ARG  22           HE       ARG  22   4.509  -9.731   1.433
  169   1HH1  ARG  22          1HH2      ARG  22   2.003 -11.091   0.964
  170   2HH1  ARG  22          2HH2      ARG  22   2.402 -12.775   1.069
  171   1HH2  ARG  22          2HH1      ARG  22   5.421 -12.212   2.729
  172   2HH2  ARG  22          1HH1      ARG  22   4.353 -13.416   2.077
  173    H    GLN  23           H        GLN  23  -0.892  -6.993   1.027
  174    HA   GLN  23           HA       GLN  23  -0.658  -4.103   1.106
  175   1HB   GLN  23          2HB       GLN  23  -2.737  -6.037   0.623
  176   2HB   GLN  23          1HB       GLN  23  -3.300  -4.866   1.813
  177   1HG   GLN  23          2HG       GLN  23  -3.346  -3.173   0.303
  178   2HG   GLN  23          1HG       GLN  23  -1.823  -3.669  -0.435
  179   1HE2  GLN  23          2HE2      GLN  23  -3.607  -6.177  -2.513
  180   2HE2  GLN  23          1HE2      GLN  23  -2.312  -6.188  -1.416
  181    H    ILE  24           H        ILE  24  -0.327  -2.932   2.916
  182    HA   ILE  24           HA       ILE  24  -1.281  -4.068   5.515
  183    HB   ILE  24           HB       ILE  24   0.677  -3.127   6.591
  184   1HG1  ILE  24          2HG1      ILE  24   0.769  -1.578   4.123
  185   2HG1  ILE  24          1HG1      ILE  24   1.539  -1.249   5.673
  186   1HG2  ILE  24          1HG2      ILE  24   0.872  -5.350   5.421
  187   2HG2  ILE  24          3HG2      ILE  24   1.561  -4.502   4.037
  188   3HG2  ILE  24          2HG2      ILE  24   2.407  -4.496   5.584
  189   1HD1  ILE  24          2HD1      ILE  24   3.265  -3.019   5.039
  190   2HD1  ILE  24          1HD1      ILE  24   2.582  -2.963   3.413
  191   3HD1  ILE  24          3HD1      ILE  24   3.321  -1.521   4.112
  192    H    GLY  25           H        GLY  25  -2.209  -1.862   3.415
  193   1HA   GLY  25          2HA       GLY  25  -3.672  -0.246   5.149
  194   2HA   GLY  25          1HA       GLY  25  -2.139   0.602   4.927
  195    H    THR  26           H        THR  26  -4.118   2.042   3.968
  196    HA   THR  26           HA       THR  26  -4.241   1.423   1.046
  197    HB   THR  26           HB       THR  26  -6.295   2.876   1.063
  198    HG1  THR  26           HG1      THR  26  -6.978   3.702   2.899
  199   1HG2  THR  26          3HG2      THR  26  -6.244   0.424   2.842
  200   2HG2  THR  26          2HG2      THR  26  -7.721   1.167   2.229
  201   3HG2  THR  26          1HG2      THR  26  -6.555   0.467   1.107
  202    H    CYS  27           H        CYS  27  -4.392   3.484  -0.311
  203    HA   CYS  27           HA       CYS  27  -2.944   5.766   0.935
  204   1HB   CYS  27          2HB       CYS  27  -2.128   4.261  -1.560
  205   2HB   CYS  27          1HB       CYS  27  -1.539   5.879  -1.182
  206    H    PHE  28           H        PHE  28  -3.868   7.665   0.351
  207    HA   PHE  28           HA       PHE  28  -5.319   9.170  -0.705
  208   1HB   PHE  28          2HB       PHE  28  -4.772   7.626  -3.240
  209   2HB   PHE  28          1HB       PHE  28  -5.068   9.355  -3.051
  210    HD1  PHE  28           HD1      PHE  28  -3.366  10.481  -1.234
  211    HD2  PHE  28           HD2      PHE  28  -2.566   7.024  -3.656
  212    HE1  PHE  28           HE1      PHE  28  -0.932  10.869  -0.986
  213    HE2  PHE  28           HE2      PHE  28  -0.131   7.414  -3.408
  214    HZ   PHE  28           HZ       PHE  28   0.685   9.336  -2.071
  215    H    GLY  29           H        GLY  29  -6.642   7.013   0.504
  216   1HA   GLY  29          2HA       GLY  29  -8.994   6.503   0.469
  217   2HA   GLY  29          1HA       GLY  29  -9.014   6.842  -1.263
  218    NH1  ARG  30           NH2      ARG  30  -9.038  -1.006  -3.018
  219    NH2  ARG  30           NH1      ARG  30  -9.631  -2.347  -1.281
  220    H    ARG  30           H        ARG  30  -9.798   4.883  -2.034
  221    HA   ARG  30           HA       ARG  30  -8.391   2.422  -1.161
  222   1HB   ARG  30          2HB       ARG  30 -11.072   2.997  -2.336
  223   2HB   ARG  30          1HB       ARG  30 -10.360   1.404  -2.589
  224   1HG   ARG  30          2HG       ARG  30 -10.092   2.348   0.175
  225   2HG   ARG  30          1HG       ARG  30 -11.772   2.186  -0.339
  226   1HD   ARG  30          2HD       ARG  30 -10.713   0.086   0.656
  227   2HD   ARG  30          1HD       ARG  30 -11.475  -0.113  -0.922
  228    HE   ARG  30           HE       ARG  30  -8.528   0.344  -0.728
  229   1HH1  ARG  30          1HH2      ARG  30  -8.819  -0.094  -3.376
  230   2HH1  ARG  30          2HH2      ARG  30  -9.022  -1.797  -3.630
  231   1HH2  ARG  30          2HH1      ARG  30  -9.867  -2.459  -0.313
  232   2HH2  ARG  30          1HH1      ARG  30  -9.617  -3.147  -1.885
  233    HA   PRO  31           HA       PRO  31  -7.774   2.661  -5.927
  234   1HB   PRO  31          2HB       PRO  31  -6.326   4.900  -6.601
  235   2HB   PRO  31          1HB       PRO  31  -8.091   4.798  -6.726
  236   1HG   PRO  31          2HG       PRO  31  -6.429   6.216  -4.695
  237   2HG   PRO  31          1HG       PRO  31  -8.067   6.585  -5.262
  238   1HD   PRO  31          2HD       PRO  31  -7.424   5.306  -2.837
  239   2HD   PRO  31          1HD       PRO  31  -9.027   5.338  -3.601
  240    H    VAL  32           H        VAL  32  -5.418   4.340  -3.802
  241    HA   VAL  32           HA       VAL  32  -3.333   2.465  -4.806
  242    HB   VAL  32           HB       VAL  32  -2.884   4.904  -3.079
  243   1HG1  VAL  32          1HG1      VAL  32  -1.156   3.364  -5.038
  244   2HG1  VAL  32          3HG1      VAL  32  -0.652   4.810  -4.168
  245   3HG1  VAL  32          2HG1      VAL  32  -1.013   3.329  -3.282
  246   1HG2  VAL  32          1HG2      VAL  32  -3.620   4.703  -5.938
  247   2HG2  VAL  32          3HG2      VAL  32  -3.750   6.075  -4.837
  248   3HG2  VAL  32          2HG2      VAL  32  -2.206   5.701  -5.602
  249    H    LYS  33           H        LYS  33  -1.992   1.380  -3.176
  250    HA   LYS  33           HA       LYS  33  -3.177   1.346  -0.444
  251   1HB   LYS  33          2HB       LYS  33  -2.708  -1.048  -2.237
  252   2HB   LYS  33          1HB       LYS  33  -2.944  -1.183  -0.497
  253   1HG   LYS  33          2HG       LYS  33  -5.143  -1.390  -1.120
  254   2HG   LYS  33          1HG       LYS  33  -5.065   0.371  -1.090
  255   1HD   LYS  33          2HD       LYS  33  -6.096  -0.529  -3.186
  256   2HD   LYS  33          1HD       LYS  33  -4.658   0.443  -3.489
  257   1HE   LYS  33          2HE       LYS  33  -3.984  -2.358  -3.046
  258   2HE   LYS  33          1HE       LYS  33  -5.108  -2.165  -4.390
  259   1HZ   LYS  33          2HZ       LYS  33  -3.349  -0.160  -4.794
  260   2HZ   LYS  33          1HZ       LYS  33  -2.346  -1.382  -4.180
  261   3HZ   LYS  33          3HZ       LYS  33  -3.289  -1.675  -5.557
  262    H    CYS  34           H        CYS  34  -1.698   0.342   1.143
  263    HA   CYS  34           HA       CYS  34   1.114   0.953   0.471
  264   1HB   CYS  34          2HB       CYS  34  -0.128   0.095   3.106
  265   2HB   CYS  34          1HB       CYS  34   1.512   0.702   2.880
  266    H    CYS  35           H        CYS  35   1.988  -0.769  -0.669
  267    HA   CYS  35           HA       CYS  35   1.431  -3.508   0.356
  268   1HB   CYS  35          2HB       CYS  35   2.417  -2.428  -2.275
  269   2HB   CYS  35          1HB       CYS  35   2.665  -4.120  -1.845
  270    NH1  ARG  36           NH1      ARG  36   6.207  -1.991   7.224
  271    NH2  ARG  36           NH2      ARG  36   4.968  -3.867   7.566
  272    H    ARG  36           H        ARG  36   3.201  -4.959   0.713
  273    HA   ARG  36           HA       ARG  36   5.888  -3.696   0.956
  274   1HB   ARG  36          2HB       ARG  36   4.374  -4.023   3.168
  275   2HB   ARG  36          1HB       ARG  36   5.078  -5.636   3.063
  276   1HG   ARG  36          2HG       ARG  36   7.097  -4.893   3.740
  277   2HG   ARG  36          1HG       ARG  36   7.071  -3.575   2.570
  278   1HD   ARG  36          2HD       ARG  36   6.912  -2.246   4.405
  279   2HD   ARG  36          1HD       ARG  36   5.212  -2.706   4.377
  280    HE   ARG  36           HE       ARG  36   6.884  -4.585   5.863
  281   1HH1  ARG  36          2HH1      ARG  36   6.881  -1.484   6.682
  282   2HH1  ARG  36          1HH1      ARG  36   5.801  -1.568   8.036
  283   1HH2  ARG  36          1HH2      ARG  36   4.697  -4.789   7.286
  284   2HH2  ARG  36          2HH2      ARG  36   4.560  -3.455   8.382
  285    H    SER  37           H        SER  37   7.503  -5.642   1.494
  286    HA   SER  37           HA       SER  37   6.608  -8.099   0.082
  287   1HB   SER  37          2HB       SER  37   9.308  -6.994  -0.576
  288   2HB   SER  37          1HB       SER  37   8.245  -8.004  -1.552
  289    HG   SER  37           HG       SER  37   8.299  -5.843  -2.301
  290    CH2  TRP  38           CH2      TRP  38   3.393  -7.159   6.110
  291    H    TRP  38           HN       TRP  38   6.724  -8.654   2.530
  292    HA   TRP  38           HA       TRP  38   9.522  -9.527   3.117
  293   1HB   TRP  38          2HB       TRP  38   9.291  -9.030   5.406
  294   2HB   TRP  38          1HB       TRP  38   8.524  -7.651   4.626
  295    HD1  TRP  38           HD1      TRP  38   7.663 -10.920   6.442
  296    HE1  TRP  38           HE1      TRP  38   5.272 -10.735   7.381
  297    HE3  TRP  38           HE3      TRP  38   6.270  -6.448   4.423
  298    HZ2  TRP  38           HZ2      TRP  38   3.061  -8.926   7.293
  299    HZ3  TRP  38           HZ3      TRP  38   4.018  -5.515   4.869
  300    HH2  TRP  38           HH2      TRP  38   2.413  -6.747   6.300
   
  Start of MODEL           4
 Raw file had  300 H/Q atoms
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1   9.793   5.246   5.080
    2   2H    ALA   1          3H        ALA   1   9.469   3.648   4.615
    3   3H    ALA   1          2H        ALA   1  10.705   4.521   3.844
    4    HA   ALA   1           HA       ALA   1   9.155   4.872   2.276
    5   1HB   ALA   1          1HB       ALA   1   7.081   4.582   4.476
    6   2HB   ALA   1          3HB       ALA   1   6.724   4.765   2.761
    7   3HB   ALA   1          2HB       ALA   1   7.554   3.322   3.339
    8    HA   PRO   2           HA       PRO   2   8.723   9.195   2.831
    9   1HB   PRO   2          2HB       PRO   2   6.844   9.770   0.905
   10   2HB   PRO   2          1HB       PRO   2   8.532   9.372   0.537
   11   1HG   PRO   2          2HG       PRO   2   6.090   7.690   0.210
   12   2HG   PRO   2          1HG       PRO   2   7.625   7.626  -0.673
   13   1HD   PRO   2          2HD       PRO   2   6.834   5.869   1.397
   14   2HD   PRO   2          1HD       PRO   2   8.478   6.037   0.744
   15    H    LEU   3           H        LEU   3   6.560  10.862   2.635
   16    HA   LEU   3           HA       LEU   3   5.181  10.575   5.069
   17   1HB   LEU   3          2HB       LEU   3   5.111  12.355   2.830
   18   2HB   LEU   3          1HB       LEU   3   3.450  11.911   3.233
   19    HG   LEU   3           HG       LEU   3   3.865  12.506   5.594
   20   1HD1  LEU   3          1HD1      LEU   3   6.579  12.349   4.741
   21   2HD1  LEU   3          3HD1      LEU   3   6.289  14.006   5.263
   22   3HD1  LEU   3          2HD1      LEU   3   5.974  12.666   6.366
   23   1HD2  LEU   3          1HD2      LEU   3   3.072  14.209   3.901
   24   2HD2  LEU   3          3HD2      LEU   3   3.912  14.907   5.286
   25   3HD2  LEU   3          2HD2      LEU   3   4.746  14.741   3.741
   26    H    SER   4           H        SER   4   4.276   9.472   1.822
   27    HA   SER   4           HA       SER   4   1.672   8.508   2.593
   28   1HB   SER   4          2HB       SER   4   2.867   7.037   0.398
   29   2HB   SER   4          1HB       SER   4   1.504   8.153   0.374
   30    HG   SER   4           HG       SER   4   2.911   9.328  -0.702
   31    H    CYS   5           H        CYS   5   1.610   7.038   4.253
   32    HA   CYS   5           HA       CYS   5   1.890   4.991   5.354
   33   1HB   CYS   5          2HB       CYS   5   2.099   4.405   2.615
   34   2HB   CYS   5          1HB       CYS   5   3.476   3.599   3.368
   35    H    GLY   6           H        GLY   6   3.914   7.125   5.552
   36   1HA   GLY   6          2HA       GLY   6   6.547   5.949   5.500
   37   2HA   GLY   6          1HA       GLY   6   6.101   7.422   6.362
   38    NH1  ARG   7           NH1      ARG   7   6.054   2.642  12.613
   39    NH2  ARG   7           NH2      ARG   7   6.002   3.650  14.646
   40    H    ARG   7           H        ARG   7   4.145   6.458   8.079
   41    HA   ARG   7           HA       ARG   7   5.704   5.332  10.195
   42   1HB   ARG   7          2HB       ARG   7   3.739   6.647  10.714
   43   2HB   ARG   7          1HB       ARG   7   2.709   5.557   9.788
   44   1HG   ARG   7          2HG       ARG   7   2.324   4.740  11.914
   45   2HG   ARG   7          1HG       ARG   7   3.713   3.750  11.468
   46   1HD   ARG   7          2HD       ARG   7   4.170   6.421  12.751
   47   2HD   ARG   7          1HD       ARG   7   3.714   5.049  13.759
   48    HE   ARG   7           HE       ARG   7   6.264   5.371  12.319
   49   1HH1  ARG   7          1HH1      ARG   7   6.291   1.771  13.043
   50   2HH1  ARG   7          2HH1      ARG   7   5.952   2.695  11.615
   51   1HH2  ARG   7          1HH2      ARG   7   5.861   4.471  15.202
   52   2HH2  ARG   7          2HH2      ARG   7   6.238   2.783  15.087
   53    H    ASN   8           H        ASN   8   3.188   3.896   8.115
   54    HA   ASN   8           HA       ASN   8   3.378   1.256   9.182
   55   1HB   ASN   8          2HB       ASN   8   2.640   2.086   6.359
   56   2HB   ASN   8          1HB       ASN   8   2.259   0.541   7.120
   57   1HD2  ASN   8          2HD2      ASN   8  -0.559   1.796   8.832
   58   2HD2  ASN   8          1HD2      ASN   8   0.403   0.447   8.460
   59    H    GLY   9           H        GLY   9   5.214   2.937   6.673
   60   1HA   GLY   9          2HA       GLY   9   7.394   2.379   5.923
   61   2HA   GLY   9          1HA       GLY   9   7.307   0.894   6.873
   62    H    GLY  10           H        GLY  10   4.811   1.873   4.589
   63   1HA   GLY  10          2HA       GLY  10   5.595  -0.470   2.907
   64   2HA   GLY  10          1HA       GLY  10   3.924   0.043   3.145
   65    H    VAL  11           H        VAL  11   4.500  -0.117   0.589
   66    HA   VAL  11           HA       VAL  11   5.294   2.632  -0.271
   67    HB   VAL  11           HB       VAL  11   5.083   0.388  -2.232
   68   1HG1  VAL  11          1HG1      VAL  11   6.456   2.984  -1.898
   69   2HG1  VAL  11          3HG1      VAL  11   7.440   1.722  -2.643
   70   3HG1  VAL  11          2HG1      VAL  11   5.902   2.183  -3.369
   71   1HG2  VAL  11          1HG2      VAL  11   7.228   0.651  -0.107
   72   2HG2  VAL  11          3HG2      VAL  11   6.263  -0.771  -0.499
   73   3HG2  VAL  11          2HG2      VAL  11   7.496  -0.206  -1.625
   74    H    CYS  12           H        CYS  12   3.773   3.842  -1.343
   75    HA   CYS  12           HA       CYS  12   1.029   2.830  -1.430
   76   1HB   CYS  12          2HB       CYS  12   2.335   5.460  -2.145
   77   2HB   CYS  12          1HB       CYS  12   0.634   5.150  -2.487
   78    H    ILE  13           H        ILE  13   1.141   1.150  -3.014
   79    HA   ILE  13           HA       ILE  13   1.872   2.014  -5.770
   80    HB   ILE  13           HB       ILE  13   1.270  -0.806  -4.867
   81   1HG1  ILE  13          2HG1      ILE  13   3.928   0.663  -4.833
   82   2HG1  ILE  13          1HG1      ILE  13   3.046   0.089  -3.417
   83   1HG2  ILE  13          1HG2      ILE  13   2.846   0.412  -7.154
   84   2HG2  ILE  13          3HG2      ILE  13   2.800  -1.313  -6.792
   85   3HG2  ILE  13          2HG2      ILE  13   1.326  -0.474  -7.272
   86   1HD1  ILE  13          1HD1      ILE  13   3.166  -2.241  -4.522
   87   2HD1  ILE  13          3HD1      ILE  13   4.398  -1.540  -5.567
   88   3HD1  ILE  13          2HD1      ILE  13   4.652  -1.603  -3.823
   89    HA   PRO  14           HA       PRO  14  -2.503   2.118  -6.523
   90   1HB   PRO  14          2HB       PRO  14  -2.263   2.954  -9.130
   91   2HB   PRO  14          1HB       PRO  14  -2.115   4.039  -7.737
   92   1HG   PRO  14          2HG       PRO  14   0.023   2.978  -9.522
   93   2HG   PRO  14          1HG       PRO  14   0.005   4.459  -8.550
   94   1HD   PRO  14          2HD       PRO  14   1.337   2.043  -7.887
   95   2HD   PRO  14          1HD       PRO  14   1.064   3.423  -6.803
   96    H    ILE  15           H        ILE  15  -3.912   1.210  -8.416
   97    HA   ILE  15           HA       ILE  15  -4.649  -0.736  -9.488
   98    HB   ILE  15           HB       ILE  15  -1.853  -1.081 -10.545
   99   1HG1  ILE  15          2HG1      ILE  15  -3.653   1.291 -10.837
  100   2HG1  ILE  15          1HG1      ILE  15  -1.891   1.218 -10.821
  101   1HG2  ILE  15          1HG2      ILE  15  -4.220  -2.285 -11.142
  102   2HG2  ILE  15          3HG2      ILE  15  -4.259  -0.938 -12.278
  103   3HG2  ILE  15          2HG2      ILE  15  -2.916  -2.080 -12.308
  104   1HD1  ILE  15          3HD1      ILE  15  -2.247  -0.137 -13.067
  105   2HD1  ILE  15          2HD1      ILE  15  -3.787   0.718 -13.088
  106   3HD1  ILE  15          1HD1      ILE  15  -2.277   1.625 -13.078
  107    NH1  ARG  16           NH1      ARG  16   1.802  -5.150 -10.303
  108    NH2  ARG  16           NH2      ARG  16   2.076  -7.349 -10.802
  109    H    ARG  16           H        ARG  16  -2.192  -2.801  -9.994
  110    HA   ARG  16           HA       ARG  16  -2.607  -4.089  -7.337
  111   1HB   ARG  16          2HB       ARG  16  -2.016  -6.216  -8.542
  112   2HB   ARG  16          1HB       ARG  16  -3.489  -5.450  -9.136
  113   1HG   ARG  16          2HG       ARG  16  -2.608  -5.171 -11.190
  114   2HG   ARG  16          1HG       ARG  16  -1.151  -4.430 -10.528
  115   1HD   ARG  16          2HD       ARG  16  -1.665  -7.417 -10.585
  116   2HD   ARG  16          1HD       ARG  16  -0.696  -6.555 -11.780
  117    HE   ARG  16           HE       ARG  16   0.034  -6.877  -8.903
  118   1HH1  ARG  16          2HH1      ARG  16   1.236  -4.408  -9.934
  119   2HH1  ARG  16          1HH1      ARG  16   2.714  -4.948 -10.662
  120   1HH2  ARG  16          1HH2      ARG  16   1.721  -8.286 -10.814
  121   2HH2  ARG  16          2HH2      ARG  16   2.990  -7.158 -11.163
  122    H    CYS  17           H        CYS  17  -0.788  -5.022  -6.291
  123    HA   CYS  17           HA       CYS  17   1.800  -3.831  -7.157
  124   1HB   CYS  17          2HB       CYS  17   1.375  -5.217  -4.525
  125   2HB   CYS  17          1HB       CYS  17   2.460  -3.884  -4.915
  126    HA   PRO  18           HA       PRO  18   3.446  -7.786  -8.109
  127   1HB   PRO  18          2HB       PRO  18   6.066  -7.427  -7.356
  128   2HB   PRO  18          1HB       PRO  18   5.360  -6.706  -8.812
  129   1HG   PRO  18          2HG       PRO  18   6.064  -5.403  -6.224
  130   2HG   PRO  18          1HG       PRO  18   5.954  -4.693  -7.843
  131   1HD   PRO  18          2HD       PRO  18   4.009  -4.469  -5.797
  132   2HD   PRO  18          1HD       PRO  18   3.780  -4.047  -7.508
  133    H    VAL  19           H        VAL  19   4.624  -9.694  -7.094
  134    HA   VAL  19           HA       VAL  19   3.569 -10.298  -4.510
  135    HB   VAL  19           HB       VAL  19   5.071 -12.288  -4.610
  136   1HG1  VAL  19          3HG1      VAL  19   2.902 -11.679  -6.205
  137   2HG1  VAL  19          2HG1      VAL  19   4.103 -12.206  -7.383
  138   3HG1  VAL  19          1HG1      VAL  19   3.635 -13.276  -6.061
  139   1HG2  VAL  19          2HG2      VAL  19   6.419 -10.560  -6.555
  140   2HG2  VAL  19          1HG2      VAL  19   7.034 -11.971  -5.697
  141   3HG2  VAL  19          3HG2      VAL  19   6.113 -12.177  -7.186
  142    HA   PRO  20           HA       PRO  20   4.151 -11.684  -2.921
  143   1HB   PRO  20          2HB       PRO  20   3.934 -11.234  -0.216
  144   2HB   PRO  20          1HB       PRO  20   5.201 -12.235  -0.948
  145   1HG   PRO  20          2HG       PRO  20   5.405  -9.485   0.188
  146   2HG   PRO  20          1HG       PRO  20   6.656 -10.730   0.030
  147   1HD   PRO  20          2HD       PRO  20   6.331  -8.477  -1.656
  148   2HD   PRO  20          1HD       PRO  20   7.361  -9.886  -1.982
  149    H    MET  21           H        MET  21   3.943  -8.300  -2.701
  150    HA   MET  21           HA       MET  21   2.124  -6.838  -2.639
  151   1HB   MET  21          2HB       MET  21   1.325  -8.633  -4.326
  152   2HB   MET  21          1HB       MET  21   0.333  -9.238  -2.997
  153   1HG   MET  21          2HG       MET  21  -0.123  -6.506  -2.922
  154   2HG   MET  21          1HG       MET  21  -0.029  -6.847  -4.650
  155   1HE   MET  21          2HE       MET  21  -0.695  -9.436  -5.137
  156   2HE   MET  21          1HE       MET  21  -2.389  -9.893  -4.988
  157   3HE   MET  21          3HE       MET  21  -1.933  -8.496  -5.968
  158    NH1  ARG  22           NH1      ARG  22   3.419  -7.037   6.399
  159    NH2  ARG  22           NH2      ARG  22   5.518  -7.897   6.538
  160    H    ARG  22           H        ARG  22   2.958  -7.228  -0.179
  161    HA   ARG  22           HA       ARG  22   0.784  -8.341   1.486
  162   1HB   ARG  22          2HB       ARG  22   3.456  -8.343   1.858
  163   2HB   ARG  22          1HB       ARG  22   3.050  -6.856   2.717
  164   1HG   ARG  22          2HG       ARG  22   1.592  -7.987   4.209
  165   2HG   ARG  22          1HG       ARG  22   1.539  -9.426   3.191
  166   1HD   ARG  22          2HD       ARG  22   3.013  -9.667   5.219
  167   2HD   ARG  22          1HD       ARG  22   3.844  -9.950   3.690
  168    HE   ARG  22           HE       ARG  22   4.889  -7.741   3.922
  169   1HH1  ARG  22          2HH1      ARG  22   2.581  -6.877   5.873
  170   2HH1  ARG  22          1HH1      ARG  22   3.488  -6.700   7.338
  171   1HH2  ARG  22          1HH2      ARG  22   6.283  -8.394   6.115
  172   2HH2  ARG  22          2HH2      ARG  22   5.599  -7.566   7.477
  173    H    GLN  23           H        GLN  23  -0.922  -6.872   1.166
  174    HA   GLN  23           HA       GLN  23  -0.589  -4.015   1.260
  175   1HB   GLN  23          2HB       GLN  23  -2.703  -5.845   0.787
  176   2HB   GLN  23          1HB       GLN  23  -3.223  -4.788   2.099
  177   1HG   GLN  23          2HG       GLN  23  -2.491  -2.821   0.707
  178   2HG   GLN  23          1HG       GLN  23  -2.205  -3.939  -0.627
  179   1HE2  GLN  23          2HE2      GLN  23  -6.100  -3.410   0.621
  180   2HE2  GLN  23          1HE2      GLN  23  -4.845  -3.283   1.757
  181    H    ILE  24           H        ILE  24   0.107  -2.974   3.060
  182    HA   ILE  24           HA       ILE  24  -0.749  -4.019   5.719
  183    HB   ILE  24           HB       ILE  24   1.122  -2.870   6.663
  184   1HG1  ILE  24          2HG1      ILE  24   1.174  -1.422   4.009
  185   2HG1  ILE  24          1HG1      ILE  24   1.010  -0.731   5.624
  186   1HG2  ILE  24          2HG2      ILE  24   1.813  -4.106   3.987
  187   2HG2  ILE  24          1HG2      ILE  24   3.035  -3.631   5.163
  188   3HG2  ILE  24          3HG2      ILE  24   1.856  -4.874   5.571
  189   1HD1  ILE  24          2HD1      ILE  24   3.343  -1.720   6.090
  190   2HD1  ILE  24          1HD1      ILE  24   3.471  -1.924   4.344
  191   3HD1  ILE  24          3HD1      ILE  24   3.268  -0.313   5.031
  192    H    GLY  25           H        GLY  25  -1.716  -1.753   3.483
  193   1HA   GLY  25          2HA       GLY  25  -3.542  -0.459   5.207
  194   2HA   GLY  25          1HA       GLY  25  -2.127   0.589   5.063
  195    H    THR  26           H        THR  26  -3.874   1.997   3.994
  196    HA   THR  26           HA       THR  26  -4.050   1.277   1.098
  197    HB   THR  26           HB       THR  26  -6.139   2.768   1.157
  198    HG1  THR  26           HG1      THR  26  -6.262   3.733   3.033
  199   1HG2  THR  26          1HG2      THR  26  -6.073   0.163   2.708
  200   2HG2  THR  26          3HG2      THR  26  -7.536   0.915   2.067
  201   3HG2  THR  26          2HG2      THR  26  -6.286   0.337   0.965
  202    H    CYS  27           H        CYS  27  -4.289   3.324  -0.290
  203    HA   CYS  27           HA       CYS  27  -2.864   5.641   0.922
  204   1HB   CYS  27          2HB       CYS  27  -2.097   4.162  -1.604
  205   2HB   CYS  27          1HB       CYS  27  -1.519   5.783  -1.226
  206    H    PHE  28           H        PHE  28  -3.920   7.489   0.436
  207    HA   PHE  28           HA       PHE  28  -5.419   8.972  -0.579
  208   1HB   PHE  28          2HB       PHE  28  -4.773   7.473  -3.127
  209   2HB   PHE  28          1HB       PHE  28  -5.280   9.154  -2.966
  210    HD1  PHE  28           HD1      PHE  28  -3.749  10.644  -1.397
  211    HD2  PHE  28           HD2      PHE  28  -2.491   7.003  -3.301
  212    HE1  PHE  28           HE1      PHE  28  -1.379  11.337  -1.159
  213    HE2  PHE  28           HE2      PHE  28  -0.123   7.697  -3.064
  214    HZ   PHE  28           HZ       PHE  28   0.433   9.863  -1.993
  215    H    GLY  29           H        GLY  29  -6.548   6.541   0.519
  216   1HA   GLY  29          2HA       GLY  29  -8.886   5.962   0.565
  217   2HA   GLY  29          1HA       GLY  29  -9.022   6.490  -1.112
  218    NH1  ARG  30           NH2      ARG  30  -9.773  -0.311  -5.237
  219    NH2  ARG  30           NH1      ARG  30 -11.695  -0.117  -6.437
  220    H    ARG  30           H        ARG  30  -9.748   4.651  -2.117
  221    HA   ARG  30           HA       ARG  30  -8.375   2.094  -1.535
  222   1HB   ARG  30          2HB       ARG  30 -10.245   1.095  -2.866
  223   2HB   ARG  30          1HB       ARG  30 -10.772   1.988  -1.439
  224   1HG   ARG  30          2HG       ARG  30 -11.930   3.466  -2.691
  225   2HG   ARG  30          1HG       ARG  30 -10.555   3.731  -3.764
  226   1HD   ARG  30          2HD       ARG  30 -12.330   1.284  -3.926
  227   2HD   ARG  30          1HD       ARG  30 -12.605   2.739  -4.884
  228    HE   ARG  30           HE       ARG  30 -10.226   2.332  -5.779
  229   1HH1  ARG  30          1HH2      ARG  30  -9.069   0.104  -4.654
  230   2HH1  ARG  30          2HH2      ARG  30  -9.715  -1.282  -5.474
  231   1HH2  ARG  30          2HH1      ARG  30 -12.455   0.443  -6.769
  232   2HH2  ARG  30          1HH1      ARG  30 -11.646  -1.088  -6.682
  233    HA   PRO  31           HA       PRO  31  -7.602   2.845  -6.226
  234   1HB   PRO  31          2HB       PRO  31  -6.191   5.171  -6.636
  235   2HB   PRO  31          1HB       PRO  31  -7.946   5.038  -6.835
  236   1HG   PRO  31          2HG       PRO  31  -6.398   6.303  -4.621
  237   2HG   PRO  31          1HG       PRO  31  -8.026   6.676  -5.209
  238   1HD   PRO  31          2HD       PRO  31  -7.425   5.196  -2.893
  239   2HD   PRO  31          1HD       PRO  31  -9.004   5.254  -3.704
  240    H    VAL  32           H        VAL  32  -5.348   4.364  -3.883
  241    HA   VAL  32           HA       VAL  32  -3.219   2.567  -4.951
  242    HB   VAL  32           HB       VAL  32  -2.819   4.963  -3.148
  243   1HG1  VAL  32          1HG1      VAL  32  -1.133   2.946  -4.262
  244   2HG1  VAL  32          3HG1      VAL  32  -0.730   4.476  -5.037
  245   3HG1  VAL  32          2HG1      VAL  32  -0.666   4.333  -3.282
  246   1HG2  VAL  32          3HG2      VAL  32  -4.034   5.384  -5.437
  247   2HG2  VAL  32          2HG2      VAL  32  -2.656   6.391  -5.002
  248   3HG2  VAL  32          1HG2      VAL  32  -2.449   5.056  -6.133
  249    H    LYS  33           H        LYS  33  -1.991   1.332  -3.372
  250    HA   LYS  33           HA       LYS  33  -3.222   1.272  -0.653
  251   1HB   LYS  33          2HB       LYS  33  -2.562  -1.143  -2.365
  252   2HB   LYS  33          1HB       LYS  33  -3.137  -1.197  -0.699
  253   1HG   LYS  33          2HG       LYS  33  -5.285  -0.753  -1.295
  254   2HG   LYS  33          1HG       LYS  33  -4.801   0.443  -2.496
  255   1HD   LYS  33          2HD       LYS  33  -4.006  -2.254  -3.271
  256   2HD   LYS  33          1HD       LYS  33  -5.749  -2.125  -3.028
  257   1HE   LYS  33          2HE       LYS  33  -5.505  -1.477  -5.270
  258   2HE   LYS  33          1HE       LYS  33  -5.538   0.070  -4.427
  259   1HZ   LYS  33          3HZ       LYS  33  -2.911  -0.703  -4.382
  260   2HZ   LYS  33          2HZ       LYS  33  -3.439  -1.117  -5.943
  261   3HZ   LYS  33          1HZ       LYS  33  -3.597   0.480  -5.384
  262    H    CYS  34           H        CYS  34  -1.808   0.171   0.942
  263    HA   CYS  34           HA       CYS  34   1.019   0.872   0.440
  264   1HB   CYS  34          2HB       CYS  34  -0.550   0.067   2.895
  265   2HB   CYS  34          1HB       CYS  34   1.208   0.203   2.911
  266    H    CYS  35           H        CYS  35   1.590  -0.870  -0.999
  267    HA   CYS  35           HA       CYS  35   1.257  -3.624   0.023
  268   1HB   CYS  35          2HB       CYS  35   2.366  -2.507  -2.565
  269   2HB   CYS  35          1HB       CYS  35   2.337  -4.229  -2.179
  270    NH1  ARG  36           NH2      ARG  36   9.219  -1.558   3.057
  271    NH2  ARG  36           NH1      ARG  36   8.974  -2.261   0.908
  272    H    ARG  36           H        ARG  36   2.921  -4.811   0.884
  273    HA   ARG  36           HA       ARG  36   5.541  -3.419   1.156
  274   1HB   ARG  36          2HB       ARG  36   3.894  -4.966   2.970
  275   2HB   ARG  36          1HB       ARG  36   5.492  -5.693   2.821
  276   1HG   ARG  36          2HG       ARG  36   5.024  -2.751   3.378
  277   2HG   ARG  36          1HG       ARG  36   5.337  -3.952   4.631
  278   1HD   ARG  36          2HD       ARG  36   7.515  -3.354   4.275
  279   2HD   ARG  36          1HD       ARG  36   7.387  -4.496   2.938
  280    HE   ARG  36           HE       ARG  36   6.504  -2.005   1.948
  281   1HH1  ARG  36          1HH2      ARG  36   8.839  -1.434   3.978
  282   2HH1  ARG  36          2HH2      ARG  36  10.159  -1.275   2.863
  283   1HH2  ARG  36          2HH1      ARG  36   8.410  -2.674   0.189
  284   2HH2  ARG  36          1HH1      ARG  36   9.911  -1.977   0.703
  285    H    SER  37           H        SER  37   7.456  -4.561   0.645
  286    HA   SER  37           HA       SER  37   7.092  -6.714  -1.326
  287   1HB   SER  37          2HB       SER  37   9.836  -6.013  -0.541
  288   2HB   SER  37          1HB       SER  37   9.097  -6.037  -2.140
  289    HG   SER  37           HG       SER  37   8.974  -3.955  -1.959
  290    CH2  TRP  38           CH2      TRP  38  10.145  -3.795   5.901
  291    H    TRP  38           HN       TRP  38   7.635  -6.449   2.027
  292    HA   TRP  38           HA       TRP  38   8.044  -9.337   2.234
  293   1HB   TRP  38          2HB       TRP  38  10.028  -8.871   3.853
  294   2HB   TRP  38          1HB       TRP  38  10.347  -8.847   2.119
  295    HD1  TRP  38           HD1      TRP  38  11.279  -6.686   1.118
  296    HE1  TRP  38           HE1      TRP  38  11.747  -4.316   2.013
  297    HE3  TRP  38           HE3      TRP  38   9.044  -7.017   5.694
  298    HZ2  TRP  38           HZ2      TRP  38  11.240  -2.763   4.361
  299    HZ3  TRP  38           HZ3      TRP  38   9.051  -5.081   7.239
  300    HH2  TRP  38           HH2      TRP  38  10.145  -2.956   6.580
   
  Start of MODEL           5
 Raw file had  300 H/Q atoms
  Start of MODEL    5
    1   1H    ALA   1          2H        ALA   1   8.936   9.760  -4.413
    2   2H    ALA   1          1H        ALA   1  10.388   9.452  -5.238
    3   3H    ALA   1          3H        ALA   1   9.686  10.994  -5.311
    4    HA   ALA   1           HA       ALA   1   8.417  10.455  -7.014
    5   1HB   ALA   1          1HB       ALA   1  10.460   8.373  -6.868
    6   2HB   ALA   1          3HB       ALA   1   8.997   7.812  -7.679
    7   3HB   ALA   1          2HB       ALA   1   9.843   9.241  -8.273
    8    HA   PRO   2           HA       PRO   2   5.741   6.817  -5.700
    9   1HB   PRO   2          2HB       PRO   2   6.692   5.019  -3.851
   10   2HB   PRO   2          1HB       PRO   2   6.947   4.848  -5.596
   11   1HG   PRO   2          2HG       PRO   2   8.888   5.648  -3.490
   12   2HG   PRO   2          1HG       PRO   2   9.194   4.931  -5.080
   13   1HD   PRO   2          2HD       PRO   2   9.496   7.674  -4.383
   14   2HD   PRO   2          1HD       PRO   2   9.554   6.981  -6.017
   15    H    LEU   3           H        LEU   3   4.276   6.447  -3.804
   16    HA   LEU   3           HA       LEU   3   4.696   8.563  -1.768
   17   1HB   LEU   3          2HB       LEU   3   2.382   7.214  -2.987
   18   2HB   LEU   3          1HB       LEU   3   2.239   7.409  -1.241
   19    HG   LEU   3           HG       LEU   3   1.322   9.355  -2.499
   20   1HD1  LEU   3          1HD1      LEU   3   3.004   9.346  -0.277
   21   2HD1  LEU   3          3HD1      LEU   3   3.636  10.647  -1.287
   22   3HD1  LEU   3          2HD1      LEU   3   1.948  10.667  -0.775
   23   1HD2  LEU   3          3HD2      LEU   3   2.924   9.206  -4.402
   24   2HD2  LEU   3          2HD2      LEU   3   2.858  10.825  -3.708
   25   3HD2  LEU   3          1HD2      LEU   3   4.212   9.758  -3.331
   26    H    SER   4           H        SER   4   6.078   7.708  -0.220
   27    HA   SER   4           HA       SER   4   6.157   5.000   0.622
   28   1HB   SER   4          2HB       SER   4   6.774   6.983   2.706
   29   2HB   SER   4          1HB       SER   4   7.792   5.719   2.019
   30    HG   SER   4           HG       SER   4   8.156   8.152   1.568
   31    H    CYS   5           H        CYS   5   4.714   3.853   1.796
   32    HA   CYS   5           HA       CYS   5   2.459   5.245   3.075
   33   1HB   CYS   5          2HB       CYS   5   2.195   3.109   1.741
   34   2HB   CYS   5          1HB       CYS   5   3.060   2.274   3.032
   35    H    GLY   6           H        GLY   6   2.837   6.058   5.079
   36   1HA   GLY   6          2HA       GLY   6   4.936   5.008   6.795
   37   2HA   GLY   6          1HA       GLY   6   3.815   6.302   7.207
   38    NH1  ARG   7           NH2      ARG   7  -0.324   1.270  10.502
   39    NH2  ARG   7           NH1      ARG   7  -1.630  -0.300   9.505
   40    H    ARG   7           H        ARG   7   1.852   3.841   6.195
   41    HA   ARG   7           HA       ARG   7   0.828   3.287   8.779
   42   1HB   ARG   7          2HB       ARG   7   0.511   2.100   6.066
   43   2HB   ARG   7          1HB       ARG   7   0.015   1.103   7.433
   44   1HG   ARG   7          2HG       ARG   7  -0.938   3.749   7.908
   45   2HG   ARG   7          1HG       ARG   7  -1.376   3.312   6.256
   46   1HD   ARG   7          2HD       ARG   7  -3.173   2.461   7.511
   47   2HD   ARG   7          1HD       ARG   7  -2.135   1.050   7.304
   48    HE   ARG   7           HE       ARG   7  -2.574   2.523   9.822
   49   1HH1  ARG   7          1HH2      ARG   7  -0.110   2.230  10.684
   50   2HH1  ARG   7          2HH2      ARG   7   0.253   0.550  10.893
   51   1HH2  ARG   7          2HH1      ARG   7  -2.414  -0.536   8.929
   52   2HH2  ARG   7          1HH1      ARG   7  -1.059  -1.027   9.890
   53    H    ASN   8           H        ASN   8   2.706   1.044   6.695
   54    HA   ASN   8           HA       ASN   8   3.906  -0.046   9.202
   55   1HB   ASN   8          2HB       ASN   8   2.684  -1.599   6.909
   56   2HB   ASN   8          1HB       ASN   8   3.763  -2.329   8.095
   57   1HD2  ASN   8          2HD2      ASN   8   1.362  -2.202  10.748
   58   2HD2  ASN   8          1HD2      ASN   8   3.023  -2.288  10.408
   59    H    GLY   9           H        GLY   9   5.015   1.843   7.298
   60   1HA   GLY   9          2HA       GLY   9   7.030   2.173   6.147
   61   2HA   GLY   9          1HA       GLY   9   7.575   0.664   6.883
   62    H    GLY  10           H        GLY  10   5.166   1.602   4.392
   63   1HA   GLY  10          2HA       GLY  10   6.417  -0.450   2.621
   64   2HA   GLY  10          1HA       GLY  10   4.665  -0.397   2.817
   65    H    VAL  11           H        VAL  11   4.858  -0.049   0.375
   66    HA   VAL  11           HA       VAL  11   5.289   2.862  -0.169
   67    HB   VAL  11           HB       VAL  11   5.549   2.019  -2.606
   68   1HG1  VAL  11          3HG1      VAL  11   7.549   1.597  -0.384
   69   2HG1  VAL  11          2HG1      VAL  11   7.979   1.322  -2.072
   70   3HG1  VAL  11          1HG1      VAL  11   7.461   2.922  -1.544
   71   1HG2  VAL  11          2HG2      VAL  11   4.791  -0.363  -1.634
   72   2HG2  VAL  11          1HG2      VAL  11   5.897  -0.229  -3.000
   73   3HG2  VAL  11          3HG2      VAL  11   6.529  -0.522  -1.381
   74    H    CYS  12           H        CYS  12   3.735   3.880  -1.539
   75    HA   CYS  12           HA       CYS  12   1.074   2.599  -1.413
   76   1HB   CYS  12          2HB       CYS  12   2.010   5.392  -2.109
   77   2HB   CYS  12          1HB       CYS  12   0.332   4.881  -2.268
   78    H    ILE  13           H        ILE  13   1.032   1.097  -3.088
   79    HA   ILE  13           HA       ILE  13   1.803   2.029  -5.802
   80    HB   ILE  13           HB       ILE  13   0.936  -0.765  -5.072
   81   1HG1  ILE  13          2HG1      ILE  13   3.620   0.564  -4.623
   82   2HG1  ILE  13          1HG1      ILE  13   2.625  -0.279  -3.436
   83   1HG2  ILE  13          2HG2      ILE  13   1.736   0.469  -7.445
   84   2HG2  ILE  13          1HG2      ILE  13   3.177  -0.391  -6.902
   85   3HG2  ILE  13          3HG2      ILE  13   1.667  -1.267  -7.150
   86   1HD1  ILE  13          1HD1      ILE  13   2.892  -2.350  -4.926
   87   2HD1  ILE  13          3HD1      ILE  13   4.173  -1.458  -5.744
   88   3HD1  ILE  13          2HD1      ILE  13   4.318  -1.836  -4.027
   89    HA   PRO  14           HA       PRO  14  -2.534   2.580  -6.552
   90   1HB   PRO  14          2HB       PRO  14  -2.240   3.338  -9.181
   91   2HB   PRO  14          1HB       PRO  14  -1.954   4.424  -7.809
   92   1HG   PRO  14          2HG       PRO  14   0.030   3.079  -9.586
   93   2HG   PRO  14          1HG       PRO  14   0.183   4.592  -8.677
   94   1HD   PRO  14          2HD       PRO  14   1.283   2.102  -7.924
   95   2HD   PRO  14          1HD       PRO  14   1.113   3.523  -6.872
   96    H    ILE  15           H        ILE  15  -4.156   1.635  -8.068
   97    HA   ILE  15           HA       ILE  15  -5.098  -0.179  -9.190
   98    HB   ILE  15           HB       ILE  15  -2.305  -0.558 -10.317
   99   1HG1  ILE  15          2HG1      ILE  15  -3.202   1.773 -10.576
  100   2HG1  ILE  15          1HG1      ILE  15  -2.993   0.930 -12.111
  101   1HG2  ILE  15          1HG2      ILE  15  -4.720  -2.018 -10.630
  102   2HG2  ILE  15          3HG2      ILE  15  -4.485  -1.097 -12.115
  103   3HG2  ILE  15          2HG2      ILE  15  -3.228  -2.197 -11.551
  104   1HD1  ILE  15          3HD1      ILE  15  -5.623   0.429 -10.960
  105   2HD1  ILE  15          2HD1      ILE  15  -5.337   2.150 -11.215
  106   3HD1  ILE  15          1HD1      ILE  15  -5.200   1.024 -12.565
  107    NH1  ARG  16           NH2      ARG  16  -1.669  -8.111  -7.748
  108    NH2  ARG  16           NH1      ARG  16  -1.908  -9.142  -9.760
  109    H    ARG  16           H        ARG  16  -2.015  -1.893  -9.153
  110    HA   ARG  16           HA       ARG  16  -2.774  -3.312  -6.677
  111   1HB   ARG  16          2HB       ARG  16  -2.473  -5.530  -7.872
  112   2HB   ARG  16          1HB       ARG  16  -3.946  -4.656  -8.291
  113   1HG   ARG  16          2HG       ARG  16  -3.279  -4.309 -10.435
  114   2HG   ARG  16          1HG       ARG  16  -1.616  -3.963  -9.960
  115   1HD   ARG  16          2HD       ARG  16  -2.264  -6.194 -11.299
  116   2HD   ARG  16          1HD       ARG  16  -0.964  -6.167 -10.109
  117    HE   ARG  16           HE       ARG  16  -3.713  -6.952  -9.253
  118   1HH1  ARG  16          1HH2      ARG  16  -1.821  -7.317  -7.158
  119   2HH1  ARG  16          2HH2      ARG  16  -1.176  -8.907  -7.392
  120   1HH2  ARG  16          2HH1      ARG  16  -2.241  -9.133 -10.704
  121   2HH2  ARG  16          1HH1      ARG  16  -1.416  -9.942  -9.413
  122    H    CYS  17           H        CYS  17  -0.994  -4.857  -6.048
  123    HA   CYS  17           HA       CYS  17   1.633  -3.765  -6.960
  124   1HB   CYS  17          2HB       CYS  17   1.310  -5.355  -4.439
  125   2HB   CYS  17          1HB       CYS  17   2.444  -4.055  -4.797
  126    HA   PRO  18           HA       PRO  18   2.772  -7.750  -8.394
  127   1HB   PRO  18          2HB       PRO  18   5.451  -7.776  -7.765
  128   2HB   PRO  18          1HB       PRO  18   4.766  -6.832  -9.100
  129   1HG   PRO  18          2HG       PRO  18   5.733  -5.892  -6.439
  130   2HG   PRO  18          1HG       PRO  18   5.651  -5.016  -7.976
  131   1HD   PRO  18          2HD       PRO  18   3.832  -4.752  -5.829
  132   2HD   PRO  18          1HD       PRO  18   3.575  -4.168  -7.488
  133    H    VAL  19           H        VAL  19   3.517  -9.903  -7.669
  134    HA   VAL  19           HA       VAL  19   2.670 -10.543  -5.011
  135    HB   VAL  19           HB       VAL  19   3.647 -12.801  -5.512
  136   1HG1  VAL  19          1HG1      VAL  19   1.806 -11.357  -7.395
  137   2HG1  VAL  19          3HG1      VAL  19   2.263 -13.025  -7.743
  138   3HG1  VAL  19          2HG1      VAL  19   1.437 -12.633  -6.235
  139   1HG2  VAL  19          3HG2      VAL  19   5.488 -11.625  -6.987
  140   2HG2  VAL  19          2HG2      VAL  19   4.884 -13.214  -7.456
  141   3HG2  VAL  19          1HG2      VAL  19   4.283 -11.768  -8.265
  142    HA   PRO  20           HA       PRO  20   3.117 -12.223  -3.649
  143   1HB   PRO  20          2HB       PRO  20   3.354 -12.031  -0.917
  144   2HB   PRO  20          1HB       PRO  20   4.243 -13.206  -1.903
  145   1HG   PRO  20          2HG       PRO  20   5.234 -10.709  -0.607
  146   2HG   PRO  20          1HG       PRO  20   6.123 -12.180  -1.035
  147   1HD   PRO  20          2HD       PRO  20   6.149  -9.752  -2.487
  148   2HD   PRO  20          1HD       PRO  20   6.746 -11.320  -3.069
  149    H    MET  21           H        MET  21   3.767  -8.922  -3.060
  150    HA   MET  21           HA       MET  21   2.384  -7.100  -2.601
  151   1HB   MET  21          2HB       MET  21   1.054  -8.073  -4.443
  152   2HB   MET  21          1HB       MET  21   0.195  -9.083  -3.280
  153   1HG   MET  21          2HG       MET  21  -0.751  -7.160  -2.189
  154   2HG   MET  21          1HG       MET  21   0.266  -6.061  -3.121
  155   1HE   MET  21          2HE       MET  21  -2.138  -8.797  -3.057
  156   2HE   MET  21          1HE       MET  21  -3.404  -7.573  -3.095
  157   3HE   MET  21          3HE       MET  21  -3.186  -8.669  -4.467
  158    NH1  ARG  22           NH2      ARG  22   1.029 -11.259   0.563
  159    NH2  ARG  22           NH1      ARG  22   2.403 -12.718   1.632
  160    H    ARG  22           H        ARG  22   2.964  -7.170  -0.313
  161    HA   ARG  22           HA       ARG  22   1.006  -8.529   1.458
  162   1HB   ARG  22          2HB       ARG  22   3.733  -8.128   1.700
  163   2HB   ARG  22          1HB       ARG  22   3.064  -6.866   2.735
  164   1HG   ARG  22          2HG       ARG  22   2.948  -8.518   4.294
  165   2HG   ARG  22          1HG       ARG  22   1.489  -8.991   3.422
  166   1HD   ARG  22          2HD       ARG  22   4.276 -10.129   3.129
  167   2HD   ARG  22          1HD       ARG  22   2.806 -10.976   3.605
  168    HE   ARG  22           HE       ARG  22   3.365  -9.998   0.833
  169   1HH1  ARG  22          1HH2      ARG  22   0.814 -10.326   0.269
  170   2HH1  ARG  22          2HH2      ARG  22   0.407 -12.009   0.330
  171   1HH2  ARG  22          2HH1      ARG  22   3.238 -12.899   2.156
  172   2HH2  ARG  22          1HH1      ARG  22   1.785 -13.473   1.406
  173    H    GLN  23           H        GLN  23  -0.842  -7.252   1.286
  174    HA   GLN  23           HA       GLN  23  -0.866  -4.403   1.176
  175   1HB   GLN  23          2HB       GLN  23  -2.770  -6.397   1.005
  176   2HB   GLN  23          1HB       GLN  23  -3.175  -5.609   2.530
  177   1HG   GLN  23          2HG       GLN  23  -2.522  -3.663   0.462
  178   2HG   GLN  23          1HG       GLN  23  -3.864  -4.702  -0.020
  179   1HE2  GLN  23          2HE2      GLN  23  -6.109  -2.960   2.040
  180   2HE2  GLN  23          1HE2      GLN  23  -5.841  -3.856   0.624
  181    H    ILE  24           H        ILE  24  -0.616  -2.906   2.760
  182    HA   ILE  24           HA       ILE  24  -0.939  -3.748   5.594
  183    HB   ILE  24           HB       ILE  24   1.169  -2.330   6.060
  184   1HG1  ILE  24          2HG1      ILE  24   2.357  -3.071   3.517
  185   2HG1  ILE  24          1HG1      ILE  24   0.994  -1.979   3.273
  186   1HG2  ILE  24          1HG2      ILE  24   0.826  -5.086   5.266
  187   2HG2  ILE  24          3HG2      ILE  24   2.425  -4.516   4.791
  188   3HG2  ILE  24          2HG2      ILE  24   1.915  -4.411   6.475
  189   1HD1  ILE  24          1HD1      ILE  24   2.080  -0.650   5.268
  190   2HD1  ILE  24          3HD1      ILE  24   3.541  -1.515   4.785
  191   3HD1  ILE  24          2HD1      ILE  24   2.717  -0.460   3.635
  192    H    GLY  25           H        GLY  25  -2.616  -2.125   3.829
  193   1HA   GLY  25          2HA       GLY  25  -3.785  -0.211   5.145
  194   2HA   GLY  25          1HA       GLY  25  -2.226   0.598   4.980
  195    H    THR  26           H        THR  26  -4.020   2.086   3.867
  196    HA   THR  26           HA       THR  26  -3.834   1.487   0.952
  197    HB   THR  26           HB       THR  26  -6.120   2.631   0.781
  198    HG1  THR  26           HG1      THR  26  -6.036   3.421   2.966
  199   1HG2  THR  26          2HG2      THR  26  -5.771   0.190   0.521
  200   2HG2  THR  26          1HG2      THR  26  -5.956  -0.007   2.265
  201   3HG2  THR  26          3HG2      THR  26  -7.317   0.550   1.290
  202    H    CYS  27           H        CYS  27  -4.076   3.544  -0.361
  203    HA   CYS  27           HA       CYS  27  -3.225   5.939   1.207
  204   1HB   CYS  27          2HB       CYS  27  -2.066   5.183  -1.483
  205   2HB   CYS  27          1HB       CYS  27  -1.517   6.454  -0.394
  206    H    PHE  28           H        PHE  28  -4.149   7.837   0.546
  207    HA   PHE  28           HA       PHE  28  -5.659   9.254  -0.535
  208   1HB   PHE  28          2HB       PHE  28  -4.999   7.572  -2.969
  209   2HB   PHE  28          1HB       PHE  28  -5.648   9.212  -2.963
  210    HD1  PHE  28           HD2      PHE  28  -4.246  10.994  -1.630
  211    HD2  PHE  28           HD1      PHE  28  -2.679   7.264  -3.077
  212    HE1  PHE  28           HE2      PHE  28  -1.945  11.908  -1.493
  213    HE2  PHE  28           HE1      PHE  28  -0.377   8.179  -2.940
  214    HZ   PHE  28           HZ       PHE  28  -0.012  10.501  -2.149
  215    H    GLY  29           H        GLY  29  -6.669   6.774   0.701
  216   1HA   GLY  29          2HA       GLY  29  -8.990   6.159   0.909
  217   2HA   GLY  29          1HA       GLY  29  -9.250   6.689  -0.755
  218    NH1  ARG  30           NH2      ARG  30  -9.854   0.702   2.869
  219    NH2  ARG  30           NH1      ARG  30  -9.440   2.917   3.179
  220    H    ARG  30           H        ARG  30  -9.821   4.914  -1.936
  221    HA   ARG  30           HA       ARG  30  -8.413   2.360  -1.356
  222   1HB   ARG  30          2HB       ARG  30 -11.142   3.058  -2.070
  223   2HB   ARG  30          1HB       ARG  30 -10.489   1.795  -3.114
  224   1HG   ARG  30          2HG       ARG  30 -11.397   0.621  -1.267
  225   2HG   ARG  30          1HG       ARG  30  -9.665   0.677  -0.942
  226   1HD   ARG  30          2HD       ARG  30 -11.180   3.000   0.074
  227   2HD   ARG  30          1HD       ARG  30 -11.587   1.465   0.841
  228    HE   ARG  30           HE       ARG  30  -8.719   2.241   0.639
  229   1HH1  ARG  30          1HH2      ARG  30  -9.997  -0.075   2.251
  230   2HH1  ARG  30          2HH2      ARG  30  -9.887   0.561   3.859
  231   1HH2  ARG  30          2HH1      ARG  30  -9.269   3.828   2.797
  232   2HH2  ARG  30          1HH1      ARG  30  -9.470   2.793   4.170
  233    HA   PRO  31           HA       PRO  31  -7.807   3.233  -6.054
  234   1HB   PRO  31          2HB       PRO  31  -6.346   5.534  -6.418
  235   2HB   PRO  31          1HB       PRO  31  -8.111   5.458  -6.560
  236   1HG   PRO  31          2HG       PRO  31  -6.451   6.580  -4.349
  237   2HG   PRO  31          1HG       PRO  31  -8.083   7.033  -4.870
  238   1HD   PRO  31          2HD       PRO  31  -7.471   5.440  -2.632
  239   2HD   PRO  31          1HD       PRO  31  -9.065   5.576  -3.404
  240    H    VAL  32           H        VAL  32  -5.480   4.528  -3.660
  241    HA   VAL  32           HA       VAL  32  -3.390   2.801  -4.911
  242    HB   VAL  32           HB       VAL  32  -2.987   5.071  -2.946
  243   1HG1  VAL  32          1HG1      VAL  32  -1.142   3.435  -3.142
  244   2HG1  VAL  32          3HG1      VAL  32  -1.121   3.676  -4.888
  245   3HG1  VAL  32          2HG1      VAL  32  -0.680   5.000  -3.810
  246   1HG2  VAL  32          1HG2      VAL  32  -3.767   5.172  -5.714
  247   2HG2  VAL  32          3HG2      VAL  32  -3.419   6.513  -4.623
  248   3HG2  VAL  32          2HG2      VAL  32  -2.118   5.776  -5.558
  249    H    LYS  33           H        LYS  33  -2.241   1.345  -3.522
  250    HA   LYS  33           HA       LYS  33  -3.441   1.051  -0.796
  251   1HB   LYS  33          2HB       LYS  33  -2.774  -1.074  -2.843
  252   2HB   LYS  33          1HB       LYS  33  -3.042  -1.444  -1.140
  253   1HG   LYS  33          2HG       LYS  33  -5.291  -1.046  -1.264
  254   2HG   LYS  33          1HG       LYS  33  -5.097   0.271  -2.421
  255   1HD   LYS  33          2HD       LYS  33  -4.250  -2.038  -3.788
  256   2HD   LYS  33          1HD       LYS  33  -5.708  -2.518  -2.921
  257   1HE   LYS  33          2HE       LYS  33  -6.567  -1.647  -4.927
  258   2HE   LYS  33          1HE       LYS  33  -6.701  -0.282  -3.819
  259   1HZ   LYS  33          2HZ       LYS  33  -4.207  -0.579  -5.310
  260   2HZ   LYS  33          1HZ       LYS  33  -5.574  -0.054  -6.170
  261   3HZ   LYS  33          3HZ       LYS  33  -5.024   0.831  -4.832
  262    H    CYS  34           H        CYS  34  -2.004   0.019   0.775
  263    HA   CYS  34           HA       CYS  34   0.821   0.761   0.284
  264   1HB   CYS  34          2HB       CYS  34  -0.592  -0.177   2.803
  265   2HB   CYS  34          1HB       CYS  34   1.086   0.360   2.717
  266    H    CYS  35           H        CYS  35   2.149  -0.816  -0.487
  267    HA   CYS  35           HA       CYS  35   1.546  -3.631   0.332
  268   1HB   CYS  35          2HB       CYS  35   2.492  -2.523  -2.317
  269   2HB   CYS  35          1HB       CYS  35   2.676  -4.225  -1.891
  270    NH1  ARG  36           NH1      ARG  36   5.336  -5.562   6.071
  271    NH2  ARG  36           NH2      ARG  36   6.569  -4.361   7.557
  272    H    ARG  36           H        ARG  36   3.266  -4.803   1.114
  273    HA   ARG  36           HA       ARG  36   5.997  -3.674   0.832
  274   1HB   ARG  36          2HB       ARG  36   4.602  -3.165   3.109
  275   2HB   ARG  36          1HB       ARG  36   5.324  -4.720   3.520
  276   1HG   ARG  36          2HG       ARG  36   7.462  -3.481   2.391
  277   2HG   ARG  36          1HG       ARG  36   6.623  -2.095   3.089
  278   1HD   ARG  36          2HD       ARG  36   7.685  -4.541   4.496
  279   2HD   ARG  36          1HD       ARG  36   8.022  -2.844   4.837
  280    HE   ARG  36           HE       ARG  36   5.496  -2.773   5.492
  281   1HH1  ARG  36          2HH1      ARG  36   4.918  -5.651   5.165
  282   2HH1  ARG  36          1HH1      ARG  36   5.239  -6.300   6.739
  283   1HH2  ARG  36          1HH2      ARG  36   7.088  -3.534   7.785
  284   2HH2  ARG  36          2HH2      ARG  36   6.480  -5.093   8.234
  285    H    SER  37           H        SER  37   7.406  -5.476   2.307
  286    HA   SER  37           HA       SER  37   8.284  -7.640   2.130
  287   1HB   SER  37          2HB       SER  37   5.516  -8.752   1.979
  288   2HB   SER  37          1HB       SER  37   6.880  -9.274   2.962
  289    HG   SER  37           HG       SER  37   5.340  -8.239   4.253
  290    CH2  TRP  38           CH2      TRP  38   9.154  -1.839  -0.173
  291    H    TRP  38           HN       TRP  38   8.377  -6.478  -0.268
  292    HA   TRP  38           HA       TRP  38   7.029  -8.261  -2.222
  293   1HB   TRP  38          2HB       TRP  38   8.002  -6.655  -3.910
  294   2HB   TRP  38          1HB       TRP  38   6.879  -5.912  -2.773
  295    HD1  TRP  38           HD1      TRP  38  10.672  -6.353  -3.316
  296    HE1  TRP  38           HE1      TRP  38  11.881  -4.352  -2.229
  297    HE3  TRP  38           HE3      TRP  38   6.697  -3.992  -1.157
  298    HZ2  TRP  38           HZ2      TRP  38  11.244  -2.051  -0.648
  299    HZ3  TRP  38           HZ3      TRP  38   7.023  -1.901   0.133
  300    HH2  TRP  38           HH2      TRP  38   9.289  -0.928   0.390
   
  Start of MODEL           6
 Raw file had  300 H/Q atoms
  Start of MODEL    6
    1   1H    ALA   1          2H        ALA   1  -0.056  11.864   0.782
    2   2H    ALA   1          1H        ALA   1  -1.602  11.967   0.086
    3   3H    ALA   1          3H        ALA   1  -0.818  13.372   0.617
    4    HA   ALA   1           HA       ALA   1  -1.577  13.155   2.663
    5   1HB   ALA   1          3HB       ALA   1  -3.222  11.403   1.012
    6   2HB   ALA   1          2HB       ALA   1  -3.190  10.878   2.695
    7   3HB   ALA   1          1HB       ALA   1  -3.707  12.515   2.292
    8    HA   PRO   2           HA       PRO   2  -0.212   8.925   4.288
    9   1HB   PRO   2          2HB       PRO   2   0.310   6.904   2.496
   10   2HB   PRO   2          1HB       PRO   2  -1.289   7.197   3.201
   11   1HG   PRO   2          2HG       PRO   2  -0.311   7.797   0.448
   12   2HG   PRO   2          1HG       PRO   2  -1.959   7.463   1.006
   13   1HD   PRO   2          2HD       PRO   2  -0.904  10.016   0.413
   14   2HD   PRO   2          1HD       PRO   2  -2.410   9.689   1.297
   15    H    LEU   3           H        LEU   3   1.888   9.216   4.950
   16    HA   LEU   3           HA       LEU   3   3.946  10.048   3.055
   17   1HB   LEU   3          2HB       LEU   3   3.596  10.007   5.929
   18   2HB   LEU   3          1HB       LEU   3   5.167   9.336   5.494
   19    HG   LEU   3           HG       LEU   3   5.705  11.319   4.187
   20   1HD1  LEU   3          3HD1      LEU   3   2.810  11.796   4.520
   21   2HD1  LEU   3          2HD1      LEU   3   3.815  13.231   4.733
   22   3HD1  LEU   3          1HD1      LEU   3   3.893  12.311   3.229
   23   1HD2  LEU   3          1HD2      LEU   3   4.694  11.717   6.995
   24   2HD2  LEU   3          3HD2      LEU   3   6.359  11.608   6.430
   25   3HD2  LEU   3          2HD2      LEU   3   5.412  13.057   6.107
   26    H    SER   4           H        SER   4   4.001   8.164   1.663
   27    HA   SER   4           HA       SER   4   4.740   6.039   0.990
   28   1HB   SER   4          2HB       SER   4   6.816   6.207   3.149
   29   2HB   SER   4          1HB       SER   4   6.981   5.652   1.485
   30    HG   SER   4           HG       SER   4   7.550   8.017   2.408
   31    H    CYS   5           H        CYS   5   2.630   5.903   2.899
   32    HA   CYS   5           HA       CYS   5   1.643   4.408   4.419
   33   1HB   CYS   5          2HB       CYS   5   3.707   2.565   3.178
   34   2HB   CYS   5          1HB       CYS   5   2.306   2.044   4.115
   35    H    GLY   6           H        GLY   6   3.432   6.044   5.708
   36   1HA   GLY   6          2HA       GLY   6   5.575   4.817   7.083
   37   2HA   GLY   6          1HA       GLY   6   4.650   6.183   7.706
   38    NH1  ARG   7           NH1      ARG   7  -2.160   4.153   4.939
   39    NH2  ARG   7           NH2      ARG   7  -3.997   3.476   6.096
   40    H    ARG   7           H        ARG   7   2.120   4.519   7.573
   41    HA   ARG   7           HA       ARG   7   1.987   3.667  10.241
   42   1HB   ARG   7          2HB       ARG   7   0.043   2.220   9.448
   43   2HB   ARG   7          1HB       ARG   7  -0.063   3.933   9.043
   44   1HG   ARG   7          2HG       ARG   7   0.651   3.522   6.779
   45   2HG   ARG   7          1HG       ARG   7   1.064   1.850   7.154
   46   1HD   ARG   7          2HD       ARG   7  -1.063   1.790   6.050
   47   2HD   ARG   7          1HD       ARG   7  -1.378   1.499   7.760
   48    HE   ARG   7           HE       ARG   7  -1.981   3.983   7.868
   49   1HH1  ARG   7          2HH1      ARG   7  -1.172   4.305   4.896
   50   2HH1  ARG   7          1HH1      ARG   7  -2.732   4.357   4.141
   51   1HH2  ARG   7          1HH2      ARG   7  -4.408   3.111   6.934
   52   2HH2  ARG   7          2HH2      ARG   7  -4.578   3.685   5.306
   53    H    ASN   8           H        ASN   8   3.070   1.845   7.391
   54    HA   ASN   8           HA       ASN   8   4.057  -0.243   9.275
   55   1HB   ASN   8          2HB       ASN   8   2.368  -0.650   6.817
   56   2HB   ASN   8          1HB       ASN   8   3.474  -1.907   7.367
   57   1HD2  ASN   8          2HD2      ASN   8   0.041  -1.199   9.437
   58   2HD2  ASN   8          1HD2      ASN   8   0.465  -0.236   8.105
   59    H    GLY   9           H        GLY   9   5.145   2.050   7.412
   60   1HA   GLY   9          2HA       GLY   9   7.056   2.369   6.102
   61   2HA   GLY   9          1HA       GLY   9   7.667   0.909   6.881
   62    H    GLY  10           H        GLY  10   5.205   1.730   4.408
   63   1HA   GLY  10          2HA       GLY  10   6.359  -0.479   2.755
   64   2HA   GLY  10          1HA       GLY  10   4.614  -0.266   2.900
   65    H    VAL  11           H        VAL  11   4.390   0.131   0.624
   66    HA   VAL  11           HA       VAL  11   5.249   2.880  -0.141
   67    HB   VAL  11           HB       VAL  11   5.250   1.407  -2.526
   68   1HG1  VAL  11          2HG1      VAL  11   7.114   2.895  -0.821
   69   2HG1  VAL  11          1HG1      VAL  11   7.911   1.661  -1.797
   70   3HG1  VAL  11          3HG1      VAL  11   6.940   2.911  -2.576
   71   1HG2  VAL  11          1HG2      VAL  11   6.730  -0.066  -0.318
   72   2HG2  VAL  11          3HG2      VAL  11   5.352  -0.680  -1.234
   73   3HG2  VAL  11          2HG2      VAL  11   6.892  -0.397  -2.042
   74    H    CYS  12           H        CYS  12   3.729   3.986  -1.389
   75    HA   CYS  12           HA       CYS  12   1.014   2.876  -1.360
   76   1HB   CYS  12          2HB       CYS  12   2.177   5.531  -2.239
   77   2HB   CYS  12          1HB       CYS  12   0.470   5.134  -2.424
   78    H    ILE  13           H        ILE  13   1.241   1.138  -2.912
   79    HA   ILE  13           HA       ILE  13   1.875   1.979  -5.691
   80    HB   ILE  13           HB       ILE  13   1.301  -0.846  -4.811
   81   1HG1  ILE  13          2HG1      ILE  13   3.861   0.748  -4.491
   82   2HG1  ILE  13          1HG1      ILE  13   2.962  -0.094  -3.231
   83   1HG2  ILE  13          2HG2      ILE  13   2.939   0.465  -6.996
   84   2HG2  ILE  13          1HG2      ILE  13   3.001  -1.262  -6.645
   85   3HG2  ILE  13          3HG2      ILE  13   1.494  -0.527  -7.191
   86   1HD1  ILE  13          2HD1      ILE  13   4.236  -1.478  -5.605
   87   2HD1  ILE  13          1HD1      ILE  13   4.995  -1.339  -4.019
   88   3HD1  ILE  13          3HD1      ILE  13   3.494  -2.245  -4.201
   89    HA   PRO  14           HA       PRO  14  -2.525   2.033  -6.348
   90   1HB   PRO  14          2HB       PRO  14  -2.344   2.979  -8.921
   91   2HB   PRO  14          1HB       PRO  14  -2.189   4.010  -7.488
   92   1HG   PRO  14          2HG       PRO  14  -0.067   3.057  -9.351
   93   2HG   PRO  14          1HG       PRO  14  -0.093   4.500  -8.325
   94   1HD   PRO  14          2HD       PRO  14   1.293   2.084  -7.775
   95   2HD   PRO  14          1HD       PRO  14   1.018   3.421  -6.638
   96    H    ILE  15           H        ILE  15  -3.968   1.131  -8.172
   97    HA   ILE  15           HA       ILE  15  -4.671  -0.710  -9.418
   98    HB   ILE  15           HB       ILE  15  -1.772  -0.818 -10.313
   99   1HG1  ILE  15          2HG1      ILE  15  -2.841   1.455 -10.521
  100   2HG1  ILE  15          1HG1      ILE  15  -2.387   0.731 -12.063
  101   1HG2  ILE  15          3HG2      ILE  15  -3.798  -2.582 -10.844
  102   2HG2  ILE  15          2HG2      ILE  15  -3.983  -1.435 -12.170
  103   3HG2  ILE  15          1HG2      ILE  15  -2.447  -2.264 -11.932
  104   1HD1  ILE  15          3HD1      ILE  15  -4.859  -0.223 -11.966
  105   2HD1  ILE  15          2HD1      ILE  15  -5.113   1.159 -10.900
  106   3HD1  ILE  15          1HD1      ILE  15  -4.546   1.410 -12.550
  107    NH1  ARG  16           NH2      ARG  16  -1.357  -8.556  -8.315
  108    NH2  ARG  16           NH1      ARG  16   0.482  -8.837  -9.622
  109    H    ARG  16           H        ARG  16  -1.468  -2.165  -9.177
  110    HA   ARG  16           HA       ARG  16  -2.372  -3.827  -6.894
  111   1HB   ARG  16          2HB       ARG  16  -1.603  -5.883  -8.150
  112   2HB   ARG  16          1HB       ARG  16  -3.074  -5.153  -8.789
  113   1HG   ARG  16          2HG       ARG  16  -2.085  -4.845 -10.786
  114   2HG   ARG  16          1HG       ARG  16  -0.802  -3.904 -10.025
  115   1HD   ARG  16          2HD       ARG  16   0.106  -5.882 -11.206
  116   2HD   ARG  16          1HD       ARG  16   0.409  -5.966  -9.473
  117    HE   ARG  16           HE       ARG  16  -1.863  -7.445 -10.740
  118   1HH1  ARG  16          1HH2      ARG  16  -2.222  -8.086  -8.126
  119   2HH1  ARG  16          2HH2      ARG  16  -1.034  -9.271  -7.693
  120   1HH2  ARG  16          2HH1      ARG  16   1.017  -8.582 -10.429
  121   2HH2  ARG  16          1HH1      ARG  16   0.817  -9.555  -9.009
  122    H    CYS  17           H        CYS  17  -0.359  -5.471  -6.496
  123    HA   CYS  17           HA       CYS  17   2.147  -3.889  -6.849
  124   1HB   CYS  17          2HB       CYS  17   2.021  -5.410  -4.349
  125   2HB   CYS  17          1HB       CYS  17   2.503  -3.736  -4.618
  126    HA   PRO  18           HA       PRO  18   3.935  -7.738  -7.949
  127   1HB   PRO  18          2HB       PRO  18   6.501  -7.369  -7.030
  128   2HB   PRO  18          1HB       PRO  18   5.859  -6.578  -8.480
  129   1HG   PRO  18          2HG       PRO  18   6.379  -5.418  -5.782
  130   2HG   PRO  18          1HG       PRO  18   6.358  -4.617  -7.361
  131   1HD   PRO  18          2HD       PRO  18   4.286  -4.532  -5.439
  132   2HD   PRO  18          1HD       PRO  18   4.147  -4.042  -7.141
  133    H    VAL  19           H        VAL  19   4.978  -9.716  -6.998
  134    HA   VAL  19           HA       VAL  19   3.837 -10.447  -4.496
  135    HB   VAL  19           HB       VAL  19   5.330 -12.437  -4.634
  136   1HG1  VAL  19          2HG1      VAL  19   3.249 -11.734  -6.300
  137   2HG1  VAL  19          1HG1      VAL  19   4.510 -12.190  -7.447
  138   3HG1  VAL  19          3HG1      VAL  19   3.978 -13.338  -6.217
  139   1HG2  VAL  19          1HG2      VAL  19   6.719 -10.634  -6.533
  140   2HG2  VAL  19          3HG2      VAL  19   7.367 -11.937  -5.537
  141   3HG2  VAL  19          2HG2      VAL  19   6.562 -12.310  -7.062
  142    HA   PRO  20           HA       PRO  20   4.304 -11.879  -2.940
  143   1HB   PRO  20          2HB       PRO  20   3.971 -11.548  -0.231
  144   2HB   PRO  20          1HB       PRO  20   5.254 -12.537  -0.949
  145   1HG   PRO  20          2HG       PRO  20   5.449  -9.850   0.325
  146   2HG   PRO  20          1HG       PRO  20   6.689 -11.104   0.159
  147   1HD   PRO  20          2HD       PRO  20   6.461  -8.767  -1.430
  148   2HD   PRO  20          1HD       PRO  20   7.496 -10.168  -1.771
  149    H    MET  21           H        MET  21   4.114  -8.518  -2.683
  150    HA   MET  21           HA       MET  21   2.311  -7.030  -2.643
  151   1HB   MET  21          2HB       MET  21   1.465  -8.748  -4.346
  152   2HB   MET  21          1HB       MET  21   0.538  -9.454  -3.023
  153   1HG   MET  21          2HG       MET  21  -0.740  -7.469  -2.720
  154   2HG   MET  21          1HG       MET  21   0.366  -6.518  -3.709
  155   1HE   MET  21          1HE       MET  21  -2.097  -9.033  -3.227
  156   2HE   MET  21          3HE       MET  21  -3.142  -9.012  -4.654
  157   3HE   MET  21          2HE       MET  21  -1.771 -10.114  -4.579
  158    NH1  ARG  22           NH1      ARG  22   5.443 -10.924   5.285
  159    NH2  ARG  22           NH2      ARG  22   5.755 -11.735   3.184
  160    H    ARG  22           H        ARG  22   3.056  -7.198  -0.215
  161    HA   ARG  22           HA       ARG  22   1.005  -8.442   1.509
  162   1HB   ARG  22          2HB       ARG  22   3.687  -8.088   1.849
  163   2HB   ARG  22          1HB       ARG  22   3.058  -6.695   2.730
  164   1HG   ARG  22          2HG       ARG  22   2.778  -8.147   4.449
  165   2HG   ARG  22          1HG       ARG  22   1.366  -8.707   3.551
  166   1HD   ARG  22          2HD       ARG  22   2.709 -10.643   4.083
  167   2HD   ARG  22          1HD       ARG  22   2.872 -10.336   2.354
  168    HE   ARG  22           HE       ARG  22   5.025  -8.999   3.250
  169   1HH1  ARG  22          2HH1      ARG  22   5.059 -10.229   5.898
  170   2HH1  ARG  22          1HH1      ARG  22   5.969 -11.686   5.667
  171   1HH2  ARG  22          1HH2      ARG  22   5.607 -11.659   2.197
  172   2HH2  ARG  22          2HH2      ARG  22   6.284 -12.502   3.551
  173    H    GLN  23           H        GLN  23  -0.870  -7.256   1.542
  174    HA   GLN  23           HA       GLN  23  -0.888  -4.366   1.307
  175   1HB   GLN  23          2HB       GLN  23  -2.812  -6.459   1.236
  176   2HB   GLN  23          1HB       GLN  23  -3.297  -5.355   2.524
  177   1HG   GLN  23          2HG       GLN  23  -4.292  -4.423   0.599
  178   2HG   GLN  23          1HG       GLN  23  -2.822  -3.472   0.806
  179   1HE2  GLN  23          2HE2      GLN  23  -2.749  -6.351  -2.139
  180   2HE2  GLN  23          1HE2      GLN  23  -3.581  -6.674  -0.695
  181    H    ILE  24           H        ILE  24  -0.454  -2.967   2.920
  182    HA   ILE  24           HA       ILE  24  -0.838  -3.900   5.738
  183    HB   ILE  24           HB       ILE  24   1.077  -2.345   6.296
  184   1HG1  ILE  24          2HG1      ILE  24   1.362  -2.371   3.277
  185   2HG1  ILE  24          1HG1      ILE  24   0.981  -0.966   4.270
  186   1HG2  ILE  24          3HG2      ILE  24   1.255  -4.872   5.911
  187   2HG2  ILE  24          2HG2      ILE  24   1.876  -4.480   4.308
  188   3HG2  ILE  24          1HG2      ILE  24   2.752  -3.954   5.745
  189   1HD1  ILE  24          3HD1      ILE  24   3.255  -1.907   5.478
  190   2HD1  ILE  24          2HD1      ILE  24   3.566  -2.277   3.783
  191   3HD1  ILE  24          1HD1      ILE  24   3.222  -0.618   4.275
  192    H    GLY  25           H        GLY  25  -1.999  -1.786   3.441
  193   1HA   GLY  25          2HA       GLY  25  -3.662  -0.327   5.148
  194   2HA   GLY  25          1HA       GLY  25  -2.198   0.646   4.978
  195    H    THR  26           H        THR  26  -3.975   2.084   3.925
  196    HA   THR  26           HA       THR  26  -4.086   1.414   1.014
  197    HB   THR  26           HB       THR  26  -6.224   2.780   1.014
  198    HG1  THR  26           HG1      THR  26  -6.968   3.504   2.857
  199   1HG2  THR  26          3HG2      THR  26  -6.097   0.257   2.687
  200   2HG2  THR  26          2HG2      THR  26  -7.576   0.927   1.998
  201   3HG2  THR  26          1HG2      THR  26  -6.292   0.344   0.937
  202    H    CYS  27           H        CYS  27  -4.235   3.433  -0.364
  203    HA   CYS  27           HA       CYS  27  -2.979   5.788   0.960
  204   1HB   CYS  27          2HB       CYS  27  -2.042   4.369  -1.543
  205   2HB   CYS  27          1HB       CYS  27  -1.543   6.009  -1.129
  206    H    PHE  28           H        PHE  28  -3.908   7.684   0.336
  207    HA   PHE  28           HA       PHE  28  -5.377   9.153  -0.739
  208   1HB   PHE  28          2HB       PHE  28  -4.676   7.440  -3.143
  209   2HB   PHE  28          1HB       PHE  28  -5.418   9.039  -3.198
  210    HD1  PHE  28           HD2      PHE  28  -4.157  11.034  -2.363
  211    HD2  PHE  28           HD1      PHE  28  -2.325   7.169  -2.768
  212    HE1  PHE  28           HE2      PHE  28  -1.914  12.083  -2.239
  213    HE2  PHE  28           HE1      PHE  28  -0.081   8.220  -2.644
  214    HZ   PHE  28           HZ       PHE  28   0.124  10.676  -2.379
  215    H    GLY  29           H        GLY  29  -6.512   6.750   0.504
  216   1HA   GLY  29          2HA       GLY  29  -8.862   6.240   0.667
  217   2HA   GLY  29          1HA       GLY  29  -9.058   6.739  -1.013
  218    NH1  ARG  30           NH1      ARG  30  -9.409  -0.800  -3.810
  219    NH2  ARG  30           NH2      ARG  30 -10.415  -2.283  -2.413
  220    H    ARG  30           H        ARG  30  -9.810   4.923  -2.032
  221    HA   ARG  30           HA       ARG  30  -8.522   2.333  -1.406
  222   1HB   ARG  30          2HB       ARG  30 -11.132   3.155  -2.585
  223   2HB   ARG  30          1HB       ARG  30 -10.479   1.575  -3.013
  224   1HG   ARG  30          2HG       ARG  30 -10.213   2.088  -0.162
  225   2HG   ARG  30          1HG       ARG  30 -11.894   2.205  -0.684
  226   1HD   ARG  30          2HD       ARG  30 -11.109  -0.127  -0.012
  227   2HD   ARG  30          1HD       ARG  30 -11.863  -0.001  -1.601
  228    HE   ARG  30           HE       ARG  30  -8.885   0.028  -1.314
  229   1HH1  ARG  30          2HH1      ARG  30  -8.988   0.100  -3.966
  230   2HH1  ARG  30          1HH1      ARG  30  -9.482  -1.451  -4.566
  231   1HH2  ARG  30          1HH2      ARG  30 -10.764  -2.517  -1.504
  232   2HH2  ARG  30          2HH2      ARG  30 -10.494  -2.943  -3.162
  233    HA   PRO  31           HA       PRO  31  -7.763   2.982  -6.117
  234   1HB   PRO  31          2HB       PRO  31  -6.316   5.275  -6.588
  235   2HB   PRO  31          1HB       PRO  31  -8.076   5.169  -6.767
  236   1HG   PRO  31          2HG       PRO  31  -6.481   6.446  -4.593
  237   2HG   PRO  31          1HG       PRO  31  -8.105   6.844  -5.176
  238   1HD   PRO  31          2HD       PRO  31  -7.522   5.398  -2.834
  239   2HD   PRO  31          1HD       PRO  31  -9.103   5.469  -3.640
  240    H    VAL  32           H        VAL  32  -5.445   4.552  -3.867
  241    HA   VAL  32           HA       VAL  32  -3.337   2.745  -4.936
  242    HB   VAL  32           HB       VAL  32  -2.930   5.019  -2.987
  243   1HG1  VAL  32          2HG1      VAL  32  -1.227   3.334  -4.794
  244   2HG1  VAL  32          1HG1      VAL  32  -0.704   4.969  -4.392
  245   3HG1  VAL  32          3HG1      VAL  32  -0.957   3.783  -3.110
  246   1HG2  VAL  32          2HG2      VAL  32  -4.144   5.666  -5.187
  247   2HG2  VAL  32          1HG2      VAL  32  -2.681   6.555  -4.769
  248   3HG2  VAL  32          3HG2      VAL  32  -2.618   5.274  -5.978
  249    H    LYS  33           H        LYS  33  -2.176   1.385  -3.446
  250    HA   LYS  33           HA       LYS  33  -3.461   1.147  -0.758
  251   1HB   LYS  33          2HB       LYS  33  -2.443  -1.174  -2.402
  252   2HB   LYS  33          1HB       LYS  33  -3.398  -1.245  -0.922
  253   1HG   LYS  33          2HG       LYS  33  -5.351  -0.477  -2.002
  254   2HG   LYS  33          1HG       LYS  33  -4.452   0.133  -3.389
  255   1HD   LYS  33          2HD       LYS  33  -4.849  -2.778  -2.639
  256   2HD   LYS  33          1HD       LYS  33  -5.569  -1.945  -4.016
  257   1HE   LYS  33          2HE       LYS  33  -2.648  -2.597  -3.570
  258   2HE   LYS  33          1HE       LYS  33  -3.688  -3.145  -4.882
  259   1HZ   LYS  33          1HZ       LYS  33  -3.912  -0.544  -5.214
  260   2HZ   LYS  33          3HZ       LYS  33  -2.370  -0.569  -4.505
  261   3HZ   LYS  33          2HZ       LYS  33  -2.665  -1.444  -5.929
  262    H    CYS  34           H        CYS  34  -2.003  -0.189   0.728
  263    HA   CYS  34           HA       CYS  34   0.793   0.763   0.364
  264   1HB   CYS  34          2HB       CYS  34  -0.814  -0.117   2.765
  265   2HB   CYS  34          1HB       CYS  34   0.939   0.037   2.829
  266    H    CYS  35           H        CYS  35   1.891  -0.809  -0.776
  267    HA   CYS  35           HA       CYS  35   1.433  -3.646   0.024
  268   1HB   CYS  35          2HB       CYS  35   3.003  -2.769  -2.392
  269   2HB   CYS  35          1HB       CYS  35   2.159  -4.292  -2.119
  270    NH1  ARG  36           NH2      ARG  36   5.276  -3.736   7.397
  271    NH2  ARG  36           NH1      ARG  36   4.681  -5.795   6.642
  272    H    ARG  36           H        ARG  36   3.222  -4.931   0.630
  273    HA   ARG  36           HA       ARG  36   5.852  -3.550   0.838
  274   1HB   ARG  36          2HB       ARG  36   4.142  -3.968   3.037
  275   2HB   ARG  36          1HB       ARG  36   5.370  -5.230   3.151
  276   1HG   ARG  36          2HG       ARG  36   7.150  -3.552   2.973
  277   2HG   ARG  36          1HG       ARG  36   5.948  -2.276   2.789
  278   1HD   ARG  36          2HD       ARG  36   6.905  -2.572   5.138
  279   2HD   ARG  36          1HD       ARG  36   5.148  -2.571   5.018
  280    HE   ARG  36           HE       ARG  36   6.500  -5.208   4.960
  281   1HH1  ARG  36          1HH2      ARG  36   5.767  -2.872   7.266
  282   2HH1  ARG  36          2HH2      ARG  36   4.751  -3.887   8.236
  283   1HH2  ARG  36          2HH1      ARG  36   4.720  -6.505   5.932
  284   2HH2  ARG  36          1HH1      ARG  36   4.155  -5.956   7.478
  285    H    SER  37           H        SER  37   7.625  -5.128   1.203
  286    HA   SER  37           HA       SER  37   7.058  -7.632  -0.255
  287   1HB   SER  37          2HB       SER  37   9.793  -7.333   0.651
  288   2HB   SER  37          1HB       SER  37   9.171  -7.395  -0.997
  289    HG   SER  37           HG       SER  37   9.822  -5.366  -0.933
  290    CH2  TRP  38           CH2      TRP  38  10.177  -2.825   3.521
  291    H    TRP  38           HN       TRP  38   7.732  -6.511   2.973
  292    HA   TRP  38           HA       TRP  38   7.806  -9.355   3.887
  293   1HB   TRP  38          2HB       TRP  38   9.155  -8.594   5.802
  294   2HB   TRP  38          1HB       TRP  38   9.959  -8.188   4.287
  295    HD1  TRP  38           HD1      TRP  38   8.337  -6.653   7.325
  296    HE1  TRP  38           HE1      TRP  38   8.631  -4.094   7.256
  297    HE3  TRP  38           HE3      TRP  38  10.181  -6.108   2.600
  298    HZ2  TRP  38           HZ2      TRP  38   9.531  -2.079   5.434
  299    HZ3  TRP  38           HZ3      TRP  38  10.748  -3.862   1.722
  300    HH2  TRP  38           HH2      TRP  38  10.426  -1.848   3.132
   
  Start of MODEL           7
 Raw file had  300 H/Q atoms
  Start of MODEL    7
    1   1H    ALA   1          3H        ALA   1   6.784   2.809   9.779
    2   2H    ALA   1          2H        ALA   1   6.517   1.988   8.317
    3   3H    ALA   1          1H        ALA   1   7.117   1.150   9.669
    4    HA   ALA   1           HA       ALA   1   9.202   2.176   9.545
    5   1HB   ALA   1          3HB       ALA   1   8.130   1.555   6.780
    6   2HB   ALA   1          2HB       ALA   1   9.837   1.823   7.119
    7   3HB   ALA   1          1HB       ALA   1   8.995   0.461   7.857
    8    HA   PRO   2           HA       PRO   2   9.401   6.405   8.416
    9   1HB   PRO   2          2HB       PRO   2  12.013   6.603   7.570
   10   2HB   PRO   2          1HB       PRO   2  11.535   6.458   9.270
   11   1HG   PRO   2          2HG       PRO   2  12.753   4.409   7.482
   12   2HG   PRO   2          1HG       PRO   2  12.814   4.538   9.247
   13   1HD   PRO   2          2HD       PRO   2  11.159   2.780   7.769
   14   2HD   PRO   2          1HD       PRO   2  11.010   3.150   9.500
   15    H    LEU   3           H        LEU   3   8.882   7.640   6.646
   16    HA   LEU   3           HA       LEU   3   8.450   8.208   4.423
   17   1HB   LEU   3          2HB       LEU   3  11.157   7.127   4.468
   18   2HB   LEU   3          1HB       LEU   3  10.367   6.837   2.918
   19    HG   LEU   3           HG       LEU   3  11.517   9.013   2.900
   20   1HD1  LEU   3          1HD1      LEU   3   8.984   8.517   2.037
   21   2HD1  LEU   3          3HD1      LEU   3   8.697   9.900   3.094
   22   3HD1  LEU   3          2HD1      LEU   3   9.831  10.036   1.751
   23   1HD2  LEU   3          1HD2      LEU   3   9.693   9.614   5.252
   24   2HD2  LEU   3          3HD2      LEU   3  11.455   9.521   5.286
   25   3HD2  LEU   3          2HD2      LEU   3  10.657  10.822   4.404
   26    H    SER   4           H        SER   4   7.054   5.980   5.511
   27    HA   SER   4           HA       SER   4   6.422   4.580   2.987
   28   1HB   SER   4          2HB       SER   4   6.336   2.600   5.033
   29   2HB   SER   4          1HB       SER   4   7.346   2.626   3.591
   30    HG   SER   4           HG       SER   4   8.916   3.703   4.728
   31    H    CYS   5           H        CYS   5   4.413   3.053   3.516
   32    HA   CYS   5           HA       CYS   5   2.574   4.679   5.221
   33   1HB   CYS   5          2HB       CYS   5   1.715   4.759   3.029
   34   2HB   CYS   5          1HB       CYS   5   2.157   3.084   2.699
   35    H    GLY   6           H        GLY   6   1.412   3.639   6.823
   36   1HA   GLY   6          2HA       GLY   6   0.521   1.796   8.038
   37   2HA   GLY   6          1HA       GLY   6   1.321   0.700   6.911
   38    NH1  ARG   7           NH1      ARG   7   5.329  -2.372  13.351
   39    NH2  ARG   7           NH2      ARG   7   4.401  -4.439  13.507
   40    H    ARG   7           H        ARG   7   1.352   0.660   9.870
   41    HA   ARG   7           HA       ARG   7   3.843   1.620  10.879
   42   1HB   ARG   7          2HB       ARG   7   3.546  -0.178  12.634
   43   2HB   ARG   7          1HB       ARG   7   2.157   0.892  12.444
   44   1HG   ARG   7          2HG       ARG   7   0.823  -0.816  11.805
   45   2HG   ARG   7          1HG       ARG   7   2.004  -1.382  10.624
   46   1HD   ARG   7          2HD       ARG   7   2.356  -1.880  13.583
   47   2HD   ARG   7          1HD       ARG   7   1.430  -2.980  12.566
   48    HE   ARG   7           HE       ARG   7   3.646  -3.063  11.158
   49   1HH1  ARG   7          2HH1      ARG   7   5.341  -1.454  12.953
   50   2HH1  ARG   7          1HH1      ARG   7   6.023  -2.631  14.024
   51   1HH2  ARG   7          1HH2      ARG   7   3.706  -5.101  13.223
   52   2HH2  ARG   7          2HH2      ARG   7   5.082  -4.696  14.195
   53    H    ASN   8           H        ASN   8   3.032  -1.178   8.942
   54    HA   ASN   8           HA       ASN   8   5.446  -2.671   9.435
   55   1HB   ASN   8          2HB       ASN   8   3.390  -2.669   7.223
   56   2HB   ASN   8          1HB       ASN   8   4.830  -3.683   7.134
   57   1HD2  ASN   8          2HD2      ASN   8   1.771  -4.762   9.558
   58   2HD2  ASN   8          1HD2      ASN   8   1.681  -3.386   8.566
   59    H    GLY   9           H        GLY   9   4.470  -0.546   6.724
   60   1HA   GLY   9          2HA       GLY   9   6.200   1.153   6.038
   61   2HA   GLY   9          1HA       GLY   9   7.385  -0.144   6.191
   62    H    GLY  10           H        GLY  10   4.209   0.255   4.572
   63   1HA   GLY  10          2HA       GLY  10   5.314  -1.270   2.275
   64   2HA   GLY  10          1HA       GLY  10   3.603  -0.946   2.560
   65    H    VAL  11           H        VAL  11   4.724  -0.408   0.066
   66    HA   VAL  11           HA       VAL  11   5.144   2.538   0.045
   67    HB   VAL  11           HB       VAL  11   5.230   0.921  -2.464
   68   1HG1  VAL  11          3HG1      VAL  11   5.901   3.500  -1.722
   69   2HG1  VAL  11          2HG1      VAL  11   7.461   2.681  -1.726
   70   3HG1  VAL  11          1HG1      VAL  11   6.463   2.683  -3.181
   71   1HG2  VAL  11          3HG2      VAL  11   7.170   0.666  -0.161
   72   2HG2  VAL  11          2HG2      VAL  11   6.421  -0.620  -1.109
   73   3HG2  VAL  11          1HG2      VAL  11   7.679   0.386  -1.826
   74    H    CYS  12           H        CYS  12   3.799   3.852  -1.341
   75    HA   CYS  12           HA       CYS  12   1.024   2.958  -1.407
   76   1HB   CYS  12          2HB       CYS  12   2.416   5.484  -2.332
   77   2HB   CYS  12          1HB       CYS  12   0.681   5.229  -2.504
   78    H    ILE  13           H        ILE  13   1.136   1.172  -2.893
   79    HA   ILE  13           HA       ILE  13   1.692   1.949  -5.722
   80    HB   ILE  13           HB       ILE  13   1.446  -0.897  -4.781
   81   1HG1  ILE  13          2HG1      ILE  13   3.956   0.810  -4.654
   82   2HG1  ILE  13          1HG1      ILE  13   3.051   0.236  -3.252
   83   1HG2  ILE  13          3HG2      ILE  13   3.013   0.516  -6.962
   84   2HG2  ILE  13          2HG2      ILE  13   3.075  -1.217  -6.644
   85   3HG2  ILE  13          1HG2      ILE  13   1.570  -0.475  -7.185
   86   1HD1  ILE  13          1HD1      ILE  13   3.635  -1.953  -5.061
   87   2HD1  ILE  13          3HD1      ILE  13   5.115  -1.120  -4.588
   88   3HD1  ILE  13          2HD1      ILE  13   4.043  -1.780  -3.353
   89    HA   PRO  14           HA       PRO  14  -2.749   1.524  -6.001
   90   1HB   PRO  14          2HB       PRO  14  -2.893   2.680  -8.491
   91   2HB   PRO  14          1HB       PRO  14  -2.784   3.609  -6.987
   92   1HG   PRO  14          2HG       PRO  14  -0.689   3.127  -9.050
   93   2HG   PRO  14          1HG       PRO  14  -0.844   4.467  -7.901
   94   1HD   PRO  14          2HD       PRO  14   0.909   2.249  -7.651
   95   2HD   PRO  14          1HD       PRO  14   0.525   3.433  -6.382
   96    H    ILE  15           H        ILE  15  -4.191   0.583  -7.799
   97    HA   ILE  15           HA       ILE  15  -4.741  -1.211  -9.179
   98    HB   ILE  15           HB       ILE  15  -1.909  -0.937 -10.229
   99   1HG1  ILE  15          2HG1      ILE  15  -3.430   1.194 -10.095
  100   2HG1  ILE  15          1HG1      ILE  15  -2.612   0.817 -11.609
  101   1HG2  ILE  15          2HG2      ILE  15  -4.388  -2.348 -11.064
  102   2HG2  ILE  15          1HG2      ILE  15  -3.487  -1.536 -12.344
  103   3HG2  ILE  15          3HG2      ILE  15  -2.701  -2.771 -11.360
  104   1HD1  ILE  15          2HD1      ILE  15  -5.455   0.004 -10.941
  105   2HD1  ILE  15          1HD1      ILE  15  -5.015   1.388 -11.941
  106   3HD1  ILE  15          3HD1      ILE  15  -4.629  -0.243 -12.481
  107    NH1  ARG  16           NH1      ARG  16   1.197  -8.361  -8.900
  108    NH2  ARG  16           NH2      ARG  16   2.040  -8.122 -11.002
  109    H    ARG  16           H        ARG  16  -1.375  -2.287  -9.201
  110    HA   ARG  16           HA       ARG  16  -2.078  -4.320  -7.140
  111   1HB   ARG  16          2HB       ARG  16  -0.803  -5.995  -8.562
  112   2HB   ARG  16          1HB       ARG  16  -2.360  -5.491  -9.218
  113   1HG   ARG  16          2HG       ARG  16  -1.410  -4.305 -10.942
  114   2HG   ARG  16          1HG       ARG  16   0.020  -3.876 -10.000
  115   1HD   ARG  16          2HD       ARG  16  -0.582  -6.623 -11.143
  116   2HD   ARG  16          1HD       ARG  16   0.595  -5.479 -11.788
  117    HE   ARG  16           HE       ARG  16   1.559  -5.729  -9.298
  118   1HH1  ARG  16          2HH1      ARG  16   0.751  -7.965  -8.094
  119   2HH1  ARG  16          1HH1      ARG  16   1.446  -9.332  -8.903
  120   1HH2  ARG  16          1HH2      ARG  16   2.234  -7.543 -11.797
  121   2HH2  ARG  16          2HH2      ARG  16   2.294  -9.091 -11.019
  122    H    CYS  17           H        CYS  17   0.111  -5.574  -6.616
  123    HA   CYS  17           HA       CYS  17   2.368  -3.630  -6.653
  124   1HB   CYS  17          2HB       CYS  17   2.228  -5.148  -4.168
  125   2HB   CYS  17          1HB       CYS  17   2.401  -3.410  -4.405
  126    HA   PRO  18           HA       PRO  18   4.789  -7.183  -7.508
  127   1HB   PRO  18          2HB       PRO  18   7.167  -6.445  -6.342
  128   2HB   PRO  18          1HB       PRO  18   6.566  -5.752  -7.859
  129   1HG   PRO  18          2HG       PRO  18   6.641  -4.533  -5.138
  130   2HG   PRO  18          1HG       PRO  18   6.653  -3.742  -6.723
  131   1HD   PRO  18          2HD       PRO  18   4.416  -3.981  -5.004
  132   2HD   PRO  18          1HD       PRO  18   4.373  -3.493  -6.713
  133    H    VAL  19           H        VAL  19   6.073  -8.955  -6.413
  134    HA   VAL  19           HA       VAL  19   4.788  -9.847  -4.016
  135    HB   VAL  19           HB       VAL  19   6.500 -11.641  -4.022
  136   1HG1  VAL  19          3HG1      VAL  19   4.798 -10.894  -6.274
  137   2HG1  VAL  19          2HG1      VAL  19   6.150 -11.910  -6.773
  138   3HG1  VAL  19          1HG1      VAL  19   5.037 -12.474  -5.527
  139   1HG2  VAL  19          2HG2      VAL  19   7.759  -9.845  -6.108
  140   2HG2  VAL  19          1HG2      VAL  19   8.494 -10.479  -4.637
  141   3HG2  VAL  19          3HG2      VAL  19   8.146 -11.560  -5.985
  142    HA   PRO  20           HA       PRO  20   5.370 -11.251  -2.445
  143   1HB   PRO  20          2HB       PRO  20   4.840 -11.066   0.244
  144   2HB   PRO  20          1HB       PRO  20   6.298 -11.824  -0.421
  145   1HG   PRO  20          2HG       PRO  20   6.012  -9.190   0.940
  146   2HG   PRO  20          1HG       PRO  20   7.439 -10.231   0.800
  147   1HD   PRO  20          2HD       PRO  20   6.911  -7.895  -0.727
  148   2HD   PRO  20          1HD       PRO  20   8.186  -9.091  -1.039
  149    H    MET  21           H        MET  21   4.638  -8.014  -2.326
  150    HA   MET  21           HA       MET  21   2.630  -6.824  -2.397
  151   1HB   MET  21          2HB       MET  21   2.087  -8.763  -3.976
  152   2HB   MET  21          1HB       MET  21   1.257  -9.511  -2.611
  153   1HG   MET  21          2HG       MET  21  -0.460  -7.995  -2.648
  154   2HG   MET  21          1HG       MET  21   0.586  -6.667  -3.151
  155   1HE   MET  21          2HE       MET  21  -1.004  -9.828  -3.798
  156   2HE   MET  21          1HE       MET  21  -1.813  -9.679  -5.357
  157   3HE   MET  21          3HE       MET  21  -0.168 -10.321  -5.268
  158    NH1  ARG  22           NH2      ARG  22   4.767 -11.195   3.140
  159    NH2  ARG  22           NH1      ARG  22   6.894 -10.641   3.714
  160    H    ARG  22           H        ARG  22   3.494  -6.961   0.108
  161    HA   ARG  22           HA       ARG  22   1.422  -8.197   1.817
  162   1HB   ARG  22          2HB       ARG  22   4.125  -7.711   2.177
  163   2HB   ARG  22          1HB       ARG  22   3.368  -6.431   3.124
  164   1HG   ARG  22          2HG       ARG  22   2.135  -7.996   4.439
  165   2HG   ARG  22          1HG       ARG  22   2.515  -9.325   3.344
  166   1HD   ARG  22          2HD       ARG  22   4.415  -7.864   5.194
  167   2HD   ARG  22          1HD       ARG  22   3.962  -9.565   5.250
  168    HE   ARG  22           HE       ARG  22   5.751  -8.333   3.204
  169   1HH1  ARG  22          1HH2      ARG  22   3.814 -10.930   2.983
  170   2HH1  ARG  22          2HH2      ARG  22   5.045 -12.149   3.013
  171   1HH2  ARG  22          2HH1      ARG  22   7.565  -9.949   3.995
  172   2HH2  ARG  22          1HH1      ARG  22   7.181 -11.589   3.588
  173    H    GLN  23           H        GLN  23  -0.396  -6.906   1.239
  174    HA   GLN  23           HA       GLN  23  -0.306  -4.015   1.294
  175   1HB   GLN  23          2HB       GLN  23  -2.162  -5.990   0.503
  176   2HB   GLN  23          1HB       GLN  23  -2.953  -5.076   1.788
  177   1HG   GLN  23          2HG       GLN  23  -2.905  -3.088   0.597
  178   2HG   GLN  23          1HG       GLN  23  -1.485  -3.562  -0.338
  179   1HE2  GLN  23          2HE2      GLN  23  -4.994  -5.374  -1.506
  180   2HE2  GLN  23          1HE2      GLN  23  -4.636  -5.261   0.149
  181    H    ILE  24           H        ILE  24  -0.212  -2.789   3.105
  182    HA   ILE  24           HA       ILE  24  -1.477  -3.868   5.587
  183    HB   ILE  24           HB       ILE  24   0.360  -2.855   6.893
  184   1HG1  ILE  24          2HG1      ILE  24   0.851  -1.475   4.484
  185   2HG1  ILE  24          1HG1      ILE  24   1.801  -1.384   5.966
  186   1HG2  ILE  24          3HG2      ILE  24   0.527  -5.217   6.197
  187   2HG2  ILE  24          2HG2      ILE  24   1.317  -4.724   4.700
  188   3HG2  ILE  24          1HG2      ILE  24   2.120  -4.464   6.249
  189   1HD1  ILE  24          2HD1      ILE  24   2.210  -3.512   3.850
  190   2HD1  ILE  24          1HD1      ILE  24   3.130  -2.011   3.914
  191   3HD1  ILE  24          3HD1      ILE  24   3.247  -3.171   5.235
  192    H    GLY  25           H        GLY  25  -2.597  -2.027   3.620
  193   1HA   GLY  25          2HA       GLY  25  -4.005  -0.195   4.952
  194   2HA   GLY  25          1HA       GLY  25  -2.435   0.613   4.952
  195    H    THR  26           H        THR  26  -3.934   2.197   3.684
  196    HA   THR  26           HA       THR  26  -3.487   1.649   0.801
  197    HB   THR  26           HB       THR  26  -5.791   2.690   0.381
  198    HG1  THR  26           HG1      THR  26  -6.352   3.482   2.324
  199   1HG2  THR  26          1HG2      THR  26  -5.127   0.199   0.296
  200   2HG2  THR  26          3HG2      THR  26  -5.926   0.064   1.863
  201   3HG2  THR  26          2HG2      THR  26  -6.845   0.570   0.444
  202    H    CYS  27           H        CYS  27  -3.592   3.705  -0.483
  203    HA   CYS  27           HA       CYS  27  -2.913   6.060   1.233
  204   1HB   CYS  27          2HB       CYS  27  -1.821   5.435  -1.524
  205   2HB   CYS  27          1HB       CYS  27  -1.335   6.765  -0.475
  206    H    PHE  28           H        PHE  28  -3.726   8.064   0.581
  207    HA   PHE  28           HA       PHE  28  -5.311   9.519  -0.341
  208   1HB   PHE  28          2HB       PHE  28  -5.025   7.898  -2.873
  209   2HB   PHE  28          1HB       PHE  28  -5.377   9.619  -2.714
  210    HD1  PHE  28           HD2      PHE  28  -3.555  11.021  -1.395
  211    HD2  PHE  28           HD1      PHE  28  -2.827   7.240  -3.295
  212    HE1  PHE  28           HE2      PHE  28  -1.128  11.522  -1.464
  213    HE2  PHE  28           HE1      PHE  28  -0.399   7.741  -3.365
  214    HZ   PHE  28           HZ       PHE  28   0.450   9.883  -2.448
  215    H    GLY  29           H        GLY  29  -6.392   7.298   1.055
  216   1HA   GLY  29          2HA       GLY  29  -8.717   6.735   1.350
  217   2HA   GLY  29          1HA       GLY  29  -8.986   7.072  -0.364
  218    NH1  ARG  30           NH1      ARG  30 -10.330  -0.015   3.406
  219    NH2  ARG  30           NH2      ARG  30  -8.269   0.944   3.443
  220    H    ARG  30           H        ARG  30  -9.699   5.116  -1.179
  221    HA   ARG  30           HA       ARG  30  -8.100   2.708  -0.463
  222   1HB   ARG  30          2HB       ARG  30 -10.793   2.683  -1.809
  223   2HB   ARG  30          1HB       ARG  30 -10.004   1.387  -0.913
  224   1HG   ARG  30          2HG       ARG  30 -11.040   3.992   0.245
  225   2HG   ARG  30          1HG       ARG  30 -11.752   2.396   0.472
  226   1HD   ARG  30          2HD       ARG  30  -8.971   3.217   1.367
  227   2HD   ARG  30          1HD       ARG  30 -10.373   3.047   2.421
  228    HE   ARG  30           HE       ARG  30  -9.598   0.659   0.853
  229   1HH1  ARG  30          2HH1      ARG  30 -11.201  -0.180   2.937
  230   2HH1  ARG  30          1HH1      ARG  30 -10.169  -0.410   4.311
  231   1HH2  ARG  30          1HH2      ARG  30  -7.566   1.511   3.002
  232   2HH2  ARG  30          2HH2      ARG  30  -8.096   0.554   4.349
  233    HA   PRO  31           HA       PRO  31  -8.102   3.075  -5.254
  234   1HB   PRO  31          2HB       PRO  31  -6.609   5.261  -5.989
  235   2HB   PRO  31          1HB       PRO  31  -8.379   5.274  -5.891
  236   1HG   PRO  31          2HG       PRO  31  -6.386   6.474  -4.026
  237   2HG   PRO  31          1HG       PRO  31  -8.058   6.961  -4.349
  238   1HD   PRO  31          2HD       PRO  31  -7.176   5.498  -2.101
  239   2HD   PRO  31          1HD       PRO  31  -8.861   5.691  -2.631
  240    H    VAL  32           H        VAL  32  -5.404   4.514  -3.364
  241    HA   VAL  32           HA       VAL  32  -3.542   2.656  -4.752
  242    HB   VAL  32           HB       VAL  32  -2.965   4.954  -2.855
  243   1HG1  VAL  32          1HG1      VAL  32  -1.243   3.079  -3.080
  244   2HG1  VAL  32          3HG1      VAL  32  -1.086   3.557  -4.770
  245   3HG1  VAL  32          2HG1      VAL  32  -0.674   4.696  -3.491
  246   1HG2  VAL  32          2HG2      VAL  32  -4.053   5.439  -5.161
  247   2HG2  VAL  32          1HG2      VAL  32  -2.571   6.304  -4.759
  248   3HG2  VAL  32          3HG2      VAL  32  -2.512   4.913  -5.838
  249    H    LYS  33           H        LYS  33  -2.268   1.172  -3.499
  250    HA   LYS  33           HA       LYS  33  -3.335   0.743  -0.737
  251   1HB   LYS  33          2HB       LYS  33  -2.332  -1.297  -2.740
  252   2HB   LYS  33          1HB       LYS  33  -2.848  -1.662  -1.093
  253   1HG   LYS  33          2HG       LYS  33  -4.855  -2.037  -2.147
  254   2HG   LYS  33          1HG       LYS  33  -5.016  -0.296  -1.915
  255   1HD   LYS  33          2HD       LYS  33  -5.400  -0.312  -4.168
  256   2HD   LYS  33          1HD       LYS  33  -3.639  -0.327  -4.250
  257   1HE   LYS  33          2HE       LYS  33  -5.185  -2.906  -4.051
  258   2HE   LYS  33          1HE       LYS  33  -4.949  -2.119  -5.611
  259   1HZ   LYS  33          1HZ       LYS  33  -2.493  -2.037  -4.857
  260   2HZ   LYS  33          3HZ       LYS  33  -2.946  -3.279  -3.792
  261   3HZ   LYS  33          2HZ       LYS  33  -3.129  -3.488  -5.470
  262    H    CYS  34           H        CYS  34  -1.812  -0.013   0.844
  263    HA   CYS  34           HA       CYS  34   0.961   0.873   0.280
  264   1HB   CYS  34          2HB       CYS  34  -0.246  -0.028   2.912
  265   2HB   CYS  34          1HB       CYS  34   1.268   0.845   2.682
  266    H    CYS  35           H        CYS  35   1.525  -0.990  -1.043
  267    HA   CYS  35           HA       CYS  35   1.440  -3.625   0.299
  268   1HB   CYS  35          2HB       CYS  35   2.585  -3.015  -2.428
  269   2HB   CYS  35          1HB       CYS  35   1.998  -4.562  -1.817
  270    NH1  ARG  36           NH1      ARG  36   7.408  -6.703   5.497
  271    NH2  ARG  36           NH2      ARG  36   6.413  -5.973   7.399
  272    H    ARG  36           H        ARG  36   3.227  -4.628   1.116
  273    HA   ARG  36           HA       ARG  36   5.739  -3.067   1.215
  274   1HB   ARG  36          2HB       ARG  36   4.463  -4.477   3.147
  275   2HB   ARG  36          1HB       ARG  36   5.532  -5.734   2.523
  276   1HG   ARG  36          2HG       ARG  36   7.420  -4.693   3.279
  277   2HG   ARG  36          1HG       ARG  36   6.781  -3.079   2.965
  278   1HD   ARG  36          2HD       ARG  36   7.054  -3.592   5.411
  279   2HD   ARG  36          1HD       ARG  36   5.404  -3.170   4.956
  280    HE   ARG  36           HE       ARG  36   4.790  -5.517   5.193
  281   1HH1  ARG  36          2HH1      ARG  36   7.482  -6.696   4.497
  282   2HH1  ARG  36          1HH1      ARG  36   8.029  -7.275   6.036
  283   1HH2  ARG  36          1HH2      ARG  36   5.725  -5.407   7.856
  284   2HH2  ARG  36          2HH2      ARG  36   7.030  -6.542   7.944
  285    H    SER  37           H        SER  37   7.584  -3.728   0.118
  286    HA   SER  37           HA       SER  37   7.249  -5.997  -1.758
  287   1HB   SER  37          2HB       SER  37   9.802  -4.612  -1.893
  288   2HB   SER  37          1HB       SER  37   8.563  -4.790  -3.133
  289    HG   SER  37           HG       SER  37   8.728  -2.625  -2.602
  290    CH2  TRP  38           CH2      TRP  38   9.595  -3.612   6.411
  291    H    TRP  38           HN       TRP  38   7.805  -6.239   1.240
  292    HA   TRP  38           HA       TRP  38   9.779  -8.363   1.007
  293   1HB   TRP  38          2HB       TRP  38  11.182  -7.325   2.902
  294   2HB   TRP  38          1HB       TRP  38  11.405  -6.647   1.291
  295    HD1  TRP  38           HD1      TRP  38  10.115  -4.303   0.773
  296    HE1  TRP  38           HE1      TRP  38   9.488  -2.372   2.360
  297    HE3  TRP  38           HE3      TRP  38  10.508  -6.692   5.267
  298    HZ2  TRP  38           HZ2      TRP  38   9.196  -1.900   5.166
  299    HZ3  TRP  38           HZ3      TRP  38  10.053  -5.479   7.380
  300    HH2  TRP  38           HH2      TRP  38   9.398  -3.088   7.334
   
  Start of MODEL           8
 Raw file had  300 H/Q atoms
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1   8.364   7.767  -5.980
    2   2H    ALA   1          3H        ALA   1   8.648   6.123  -6.287
    3   3H    ALA   1          2H        ALA   1   8.027   7.121  -7.515
    4    HA   ALA   1           HA       ALA   1   5.941   6.876  -6.835
    5   1HB   ALA   1          3HB       ALA   1   7.285   4.833  -5.040
    6   2HB   ALA   1          2HB       ALA   1   5.548   4.906  -5.333
    7   3HB   ALA   1          1HB       ALA   1   6.652   4.552  -6.662
    8    HA   PRO   2           HA       PRO   2   5.162   9.270  -3.243
    9   1HB   PRO   2          2HB       PRO   2   2.497   8.680  -2.897
   10   2HB   PRO   2          1HB       PRO   2   3.107   9.768  -4.156
   11   1HG   PRO   2          2HG       PRO   2   2.088   6.979  -4.415
   12   2HG   PRO   2          1HG       PRO   2   2.122   8.279  -5.619
   13   1HD   PRO   2          2HD       PRO   2   3.918   6.094  -5.483
   14   2HD   PRO   2          1HD       PRO   2   4.126   7.560  -6.466
   15    H    LEU   3           H        LEU   3   6.178   8.434  -1.409
   16    HA   LEU   3           HA       LEU   3   5.271   5.873  -0.274
   17   1HB   LEU   3          2HB       LEU   3   7.372   7.849   0.666
   18   2HB   LEU   3          1HB       LEU   3   7.068   6.272   1.396
   19    HG   LEU   3           HG       LEU   3   7.832   6.699  -1.506
   20   1HD1  LEU   3          3HD1      LEU   3   9.495   7.066   0.613
   21   2HD1  LEU   3          2HD1      LEU   3   9.665   5.327   0.375
   22   3HD1  LEU   3          1HD1      LEU   3  10.030   6.436  -0.946
   23   1HD2  LEU   3          1HD2      LEU   3   7.178   4.320   0.205
   24   2HD2  LEU   3          3HD2      LEU   3   6.741   4.641  -1.473
   25   3HD2  LEU   3          2HD2      LEU   3   8.383   4.142  -1.070
   26    H    SER   4           H        SER   4   3.055   7.028  -0.014
   27    HA   SER   4           HA       SER   4   2.930   8.782   2.363
   28   1HB   SER   4          2HB       SER   4   0.364   7.912   1.320
   29   2HB   SER   4          1HB       SER   4   1.037   9.539   1.400
   30    HG   SER   4           HG       SER   4   1.590   9.378  -0.620
   31    H    CYS   5           H        CYS   5   3.896   6.194   2.942
   32    HA   CYS   5           HA       CYS   5   1.763   5.263   4.759
   33   1HB   CYS   5          2HB       CYS   5   2.038   3.984   2.354
   34   2HB   CYS   5          1HB       CYS   5   3.144   3.054   3.365
   35    H    GLY   6           H        GLY   6   4.117   6.639   5.396
   36   1HA   GLY   6          2HA       GLY   6   6.317   4.903   6.025
   37   2HA   GLY   6          1HA       GLY   6   6.028   6.485   6.750
   38    NH1  ARG   7           NH2      ARG   7   2.699   1.680  12.627
   39    NH2  ARG   7           NH1      ARG   7   0.562   1.108  13.130
   40    H    ARG   7           H        ARG   7   3.240   5.454   7.553
   41    HA   ARG   7           HA       ARG   7   3.801   4.793  10.235
   42   1HB   ARG   7          2HB       ARG   7   1.529   5.355   8.878
   43   2HB   ARG   7          1HB       ARG   7   1.345   3.609   9.047
   44   1HG   ARG   7          2HG       ARG   7   2.261   4.590  11.552
   45   2HG   ARG   7          1HG       ARG   7   0.951   5.649  11.032
   46   1HD   ARG   7          2HD       ARG   7   0.010   3.783  12.288
   47   2HD   ARG   7          1HD       ARG   7  -0.454   3.631  10.595
   48    HE   ARG   7           HE       ARG   7   1.118   1.797  10.372
   49   1HH1  ARG   7          1HH2      ARG   7   3.356   2.117  12.009
   50   2HH1  ARG   7          2HH2      ARG   7   3.020   1.241  13.466
   51   1HH2  ARG   7          2HH1      ARG   7  -0.411   1.109  12.899
   52   2HH2  ARG   7          1HH1      ARG   7   0.874   0.665  13.972
   53    H    ASN   8           H        ASN   8   3.176   2.635   7.461
   54    HA   ASN   8           HA       ASN   8   3.995   0.347   9.197
   55   1HB   ASN   8          2HB       ASN   8   2.446   0.395   6.593
   56   2HB   ASN   8          1HB       ASN   8   2.931  -1.074   7.440
   57   1HD2  ASN   8          2HD2      ASN   8  -0.517   0.414   8.512
   58   2HD2  ASN   8          1HD2      ASN   8   0.191   0.468   6.970
   59    H    GLY   9           H        GLY   9   5.414   2.442   7.126
   60   1HA   GLY   9          2HA       GLY   9   7.389   2.346   5.880
   61   2HA   GLY   9          1HA       GLY   9   7.693   0.794   6.661
   62    H    GLY  10           H        GLY  10   4.952   1.688   4.568
   63   1HA   GLY  10          2HA       GLY  10   5.890  -0.438   2.683
   64   2HA   GLY  10          1HA       GLY  10   4.186  -0.167   3.046
   65    H    VAL  11           H        VAL  11   5.147  -0.074   0.407
   66    HA   VAL  11           HA       VAL  11   5.362   2.813  -0.239
   67    HB   VAL  11           HB       VAL  11   5.790   2.014  -2.553
   68   1HG1  VAL  11          3HG1      VAL  11   7.391   1.395  -0.189
   69   2HG1  VAL  11          2HG1      VAL  11   7.766   0.329  -1.543
   70   3HG1  VAL  11          1HG1      VAL  11   7.895   2.077  -1.735
   71   1HG2  VAL  11          2HG2      VAL  11   4.399  -0.215  -1.826
   72   2HG2  VAL  11          1HG2      VAL  11   5.498  -0.160  -3.203
   73   3HG2  VAL  11          3HG2      VAL  11   6.053  -0.801  -1.658
   74    H    CYS  12           H        CYS  12   3.846   3.780  -1.755
   75    HA   CYS  12           HA       CYS  12   1.143   2.587  -1.500
   76   1HB   CYS  12          2HB       CYS  12   2.100   5.336  -2.334
   77   2HB   CYS  12          1HB       CYS  12   0.409   4.843  -2.372
   78    H    ILE  13           H        ILE  13   1.026   1.034  -3.123
   79    HA   ILE  13           HA       ILE  13   1.691   1.912  -5.894
   80    HB   ILE  13           HB       ILE  13   0.979  -0.914  -5.188
   81   1HG1  ILE  13          2HG1      ILE  13   3.578   0.505  -4.546
   82   2HG1  ILE  13          1HG1      ILE  13   2.547  -0.401  -3.438
   83   1HG2  ILE  13          1HG2      ILE  13   1.729   0.321  -7.503
   84   2HG2  ILE  13          3HG2      ILE  13   3.293  -0.217  -6.894
   85   3HG2  ILE  13          2HG2      ILE  13   2.004  -1.388  -7.170
   86   1HD1  ILE  13          1HD1      ILE  13   3.154  -2.161  -5.564
   87   2HD1  ILE  13          3HD1      ILE  13   4.669  -1.373  -5.131
   88   3HD1  ILE  13          2HD1      ILE  13   3.747  -2.243  -3.906
   89    HA   PRO  14           HA       PRO  14  -2.706   2.162  -6.450
   90   1HB   PRO  14          2HB       PRO  14  -2.569   2.982  -9.070
   91   2HB   PRO  14          1HB       PRO  14  -2.306   4.062  -7.691
   92   1HG   PRO  14          2HG       PRO  14  -0.308   2.911  -9.579
   93   2HG   PRO  14          1HG       PRO  14  -0.217   4.396  -8.617
   94   1HD   PRO  14          2HD       PRO  14   1.053   1.933  -8.010
   95   2HD   PRO  14          1HD       PRO  14   0.891   3.327  -6.920
   96    H    ILE  15           H        ILE  15  -4.311   1.184  -7.981
   97    HA   ILE  15           HA       ILE  15  -5.194  -0.639  -9.128
   98    HB   ILE  15           HB       ILE  15  -2.419  -0.953 -10.308
   99   1HG1  ILE  15          2HG1      ILE  15  -4.639   1.007 -10.878
  100   2HG1  ILE  15          1HG1      ILE  15  -2.915   1.324 -10.689
  101   1HG2  ILE  15          2HG2      ILE  15  -4.051  -2.766 -10.763
  102   2HG2  ILE  15          1HG2      ILE  15  -5.189  -1.569 -11.382
  103   3HG2  ILE  15          3HG2      ILE  15  -3.665  -1.856 -12.222
  104   1HD1  ILE  15          2HD1      ILE  15  -2.523  -0.026 -12.782
  105   2HD1  ILE  15          1HD1      ILE  15  -4.273  -0.076 -13.002
  106   3HD1  ILE  15          3HD1      ILE  15  -3.424   1.469 -13.039
  107    NH1  ARG  16           NH1      ARG  16  -1.318  -8.793  -8.060
  108    NH2  ARG  16           NH2      ARG  16  -0.470  -9.100 -10.146
  109    H    ARG  16           H        ARG  16  -2.036  -2.226  -9.134
  110    HA   ARG  16           HA       ARG  16  -2.752  -3.747  -6.708
  111   1HB   ARG  16          2HB       ARG  16  -2.393  -5.917  -7.935
  112   2HB   ARG  16          1HB       ARG  16  -3.855  -5.059  -8.417
  113   1HG   ARG  16          2HG       ARG  16  -3.058  -4.597 -10.509
  114   2HG   ARG  16          1HG       ARG  16  -1.402  -4.379  -9.941
  115   1HD   ARG  16          2HD       ARG  16  -2.831  -7.029 -10.316
  116   2HD   ARG  16          1HD       ARG  16  -1.535  -6.392 -11.329
  117    HE   ARG  16           HE       ARG  16  -0.280  -6.428  -8.947
  118   1HH1  ARG  16          2HH1      ARG  16  -1.654  -8.180  -7.344
  119   2HH1  ARG  16          1HH1      ARG  16  -1.302  -9.782  -7.901
  120   1HH2  ARG  16          1HH2      ARG  16  -0.158  -8.720 -11.019
  121   2HH2  ARG  16          2HH2      ARG  16  -0.450 -10.090  -9.999
  122    H    CYS  17           H        CYS  17  -0.897  -5.087  -5.985
  123    HA   CYS  17           HA       CYS  17   1.666  -3.924  -6.983
  124   1HB   CYS  17          2HB       CYS  17   1.539  -5.336  -4.363
  125   2HB   CYS  17          1HB       CYS  17   2.452  -3.899  -4.822
  126    HA   PRO  18           HA       PRO  18   2.987  -7.935  -8.154
  127   1HB   PRO  18          2HB       PRO  18   5.699  -7.637  -7.800
  128   2HB   PRO  18          1HB       PRO  18   4.801  -6.905  -9.141
  129   1HG   PRO  18          2HG       PRO  18   5.911  -5.607  -6.697
  130   2HG   PRO  18          1HG       PRO  18   5.581  -4.904  -8.290
  131   1HD   PRO  18          2HD       PRO  18   3.964  -4.622  -5.979
  132   2HD   PRO  18          1HD       PRO  18   3.498  -4.200  -7.641
  133    H    VAL  19           H        VAL  19   4.408  -9.812  -7.316
  134    HA   VAL  19           HA       VAL  19   3.653 -10.561  -4.686
  135    HB   VAL  19           HB       VAL  19   5.692 -11.547  -6.666
  136   1HG1  VAL  19          1HG1      VAL  19   6.673 -11.808  -4.366
  137   2HG1  VAL  19          3HG1      VAL  19   5.265 -12.775  -3.930
  138   3HG1  VAL  19          2HG1      VAL  19   6.365 -13.337  -5.187
  139   1HG2  VAL  19          1HG2      VAL  19   3.006 -12.295  -5.664
  140   2HG2  VAL  19          3HG2      VAL  19   3.709 -12.502  -7.268
  141   3HG2  VAL  19          2HG2      VAL  19   4.102 -13.641  -5.979
  142    HA   PRO  20           HA       PRO  20   4.261 -11.681  -3.050
  143   1HB   PRO  20          2HB       PRO  20   4.185 -11.130  -0.363
  144   2HB   PRO  20          1HB       PRO  20   5.435 -12.129  -1.124
  145   1HG   PRO  20          2HG       PRO  20   5.635  -9.342  -0.092
  146   2HG   PRO  20          1HG       PRO  20   6.909 -10.556  -0.296
  147   1HD   PRO  20          2HD       PRO  20   6.387  -8.360  -2.027
  148   2HD   PRO  20          1HD       PRO  20   7.473  -9.727  -2.354
  149    H    MET  21           H        MET  21   4.025  -8.263  -2.799
  150    HA   MET  21           HA       MET  21   2.177  -6.836  -2.688
  151   1HB   MET  21          2HB       MET  21   1.292  -8.568  -4.354
  152   2HB   MET  21          1HB       MET  21   0.457  -9.307  -2.988
  153   1HG   MET  21          2HG       MET  21  -0.768  -7.253  -2.554
  154   2HG   MET  21          1HG       MET  21   0.152  -6.401  -3.793
  155   1HE   MET  21          2HE       MET  21  -2.758  -8.213  -2.782
  156   2HE   MET  21          1HE       MET  21  -3.487  -9.005  -4.175
  157   3HE   MET  21          3HE       MET  21  -2.093  -9.734  -3.367
  158    NH1  ARG  22           NH2      ARG  22   5.977 -10.942   4.739
  159    NH2  ARG  22           NH1      ARG  22   5.512 -11.576   2.607
  160    H    ARG  22           H        ARG  22   3.075  -7.034  -0.295
  161    HA   ARG  22           HA       ARG  22   1.119  -8.301   1.522
  162   1HB   ARG  22          2HB       ARG  22   3.778  -8.052   1.769
  163   2HB   ARG  22          1HB       ARG  22   3.306  -6.540   2.543
  164   1HG   ARG  22          2HG       ARG  22   3.015  -7.784   4.411
  165   2HG   ARG  22          1HG       ARG  22   1.534  -8.354   3.640
  166   1HD   ARG  22          2HD       ARG  22   2.890 -10.264   4.365
  167   2HD   ARG  22          1HD       ARG  22   2.813 -10.214   2.603
  168    HE   ARG  22           HE       ARG  22   5.115  -8.776   3.264
  169   1HH1  ARG  22          1HH2      ARG  22   5.878 -10.283   5.488
  170   2HH1  ARG  22          2HH2      ARG  22   6.527 -11.767   4.871
  171   1HH2  ARG  22          2HH1      ARG  22   5.058 -11.402   1.732
  172   2HH2  ARG  22          1HH1      ARG  22   6.061 -12.404   2.727
  173    H    GLN  23           H        GLN  23  -0.747  -7.016   1.209
  174    HA   GLN  23           HA       GLN  23  -0.658  -4.128   1.256
  175   1HB   GLN  23          2HB       GLN  23  -2.576  -6.068   0.634
  176   2HB   GLN  23          1HB       GLN  23  -3.220  -5.252   2.060
  177   1HG   GLN  23          2HG       GLN  23  -2.286  -3.131   0.599
  178   2HG   GLN  23          1HG       GLN  23  -2.828  -4.223  -0.677
  179   1HE2  GLN  23          2HE2      GLN  23  -6.281  -4.122   0.420
  180   2HE2  GLN  23          1HE2      GLN  23  -5.138  -5.183  -0.252
  181    H    ILE  24           H        ILE  24  -0.378  -2.896   3.018
  182    HA   ILE  24           HA       ILE  24  -1.266  -3.969   5.663
  183    HB   ILE  24           HB       ILE  24   0.673  -2.868   6.688
  184   1HG1  ILE  24          2HG1      ILE  24   0.710  -1.470   4.197
  185   2HG1  ILE  24          1HG1      ILE  24   1.726  -1.192   5.608
  186   1HG2  ILE  24          3HG2      ILE  24   0.922  -5.194   5.865
  187   2HG2  ILE  24          2HG2      ILE  24   1.472  -4.575   4.309
  188   3HG2  ILE  24          1HG2      ILE  24   2.441  -4.306   5.757
  189   1HD1  ILE  24          3HD1      ILE  24   3.292  -2.934   4.824
  190   2HD1  ILE  24          2HD1      ILE  24   2.277  -3.205   3.408
  191   3HD1  ILE  24          1HD1      ILE  24   3.101  -1.662   3.618
  192    H    GLY  25           H        GLY  25  -2.515  -2.098   3.619
  193   1HA   GLY  25          2HA       GLY  25  -4.014  -0.381   5.011
  194   2HA   GLY  25          1HA       GLY  25  -2.474   0.484   5.062
  195    H    THR  26           H        THR  26  -3.997   2.067   3.785
  196    HA   THR  26           HA       THR  26  -3.518   1.517   0.902
  197    HB   THR  26           HB       THR  26  -5.788   2.625   0.476
  198    HG1  THR  26           HG1      THR  26  -6.087   3.399   2.588
  199   1HG2  THR  26          1HG2      THR  26  -5.617  -0.079   1.835
  200   2HG2  THR  26          3HG2      THR  26  -7.016   0.484   0.921
  201   3HG2  THR  26          2HG2      THR  26  -5.469   0.247   0.108
  202    H    CYS  27           H        CYS  27  -3.801   3.620  -0.394
  203    HA   CYS  27           HA       CYS  27  -3.035   5.973   1.280
  204   1HB   CYS  27          2HB       CYS  27  -1.861   5.377  -1.443
  205   2HB   CYS  27          1HB       CYS  27  -1.328   6.589  -0.279
  206    H    PHE  28           H        PHE  28  -3.909   7.922   0.622
  207    HA   PHE  28           HA       PHE  28  -5.427   9.363  -0.418
  208   1HB   PHE  28          2HB       PHE  28  -4.976   7.684  -2.893
  209   2HB   PHE  28          1HB       PHE  28  -5.439   9.384  -2.811
  210    HD1  PHE  28           HD2      PHE  28  -3.780  10.961  -1.509
  211    HD2  PHE  28           HD1      PHE  28  -2.714   7.132  -3.136
  212    HE1  PHE  28           HE2      PHE  28  -1.389  11.614  -1.482
  213    HE2  PHE  28           HE1      PHE  28  -0.323   7.786  -3.108
  214    HZ   PHE  28           HZ       PHE  28   0.339  10.026  -2.281
  215    H    GLY  29           H        GLY  29  -6.475   6.962   0.889
  216   1HA   GLY  29          2HA       GLY  29  -8.811   6.409   1.145
  217   2HA   GLY  29          1HA       GLY  29  -9.075   6.875  -0.537
  218    NH1  ARG  30           NH2      ARG  30  -8.878   1.797   2.979
  219    NH2  ARG  30           NH1      ARG  30 -11.045   2.178   3.535
  220    H    ARG  30           H        ARG  30  -9.742   5.038  -1.583
  221    HA   ARG  30           HA       ARG  30  -8.300   2.515  -0.959
  222   1HB   ARG  30          2HB       ARG  30 -11.043   3.118  -1.296
  223   2HB   ARG  30          1HB       ARG  30 -10.571   2.092  -2.651
  224   1HG   ARG  30          2HG       ARG  30 -10.749   0.342  -1.244
  225   2HG   ARG  30          1HG       ARG  30  -9.289   0.939  -0.456
  226   1HD   ARG  30          2HD       ARG  30 -12.062   1.917   0.260
  227   2HD   ARG  30          1HD       ARG  30 -11.281   0.568   1.084
  228    HE   ARG  30           HE       ARG  30 -10.069   3.304   1.024
  229   1HH1  ARG  30          1HH2      ARG  30  -8.151   1.768   2.290
  230   2HH1  ARG  30          2HH2      ARG  30  -8.670   1.561   3.930
  231   1HH2  ARG  30          2HH1      ARG  30 -11.974   2.441   3.272
  232   2HH2  ARG  30          1HH1      ARG  30 -10.845   1.946   4.489
  233    HA   PRO  31           HA       PRO  31  -7.905   3.217  -5.698
  234   1HB   PRO  31          2HB       PRO  31  -6.363   5.440  -6.182
  235   2HB   PRO  31          1HB       PRO  31  -8.135   5.446  -6.235
  236   1HG   PRO  31          2HG       PRO  31  -6.314   6.537  -4.140
  237   2HG   PRO  31          1HG       PRO  31  -7.954   7.046  -4.581
  238   1HD   PRO  31          2HD       PRO  31  -7.276   5.465  -2.347
  239   2HD   PRO  31          1HD       PRO  31  -8.906   5.672  -3.022
  240    H    VAL  32           H        VAL  32  -5.370   4.545  -3.525
  241    HA   VAL  32           HA       VAL  32  -3.420   2.701  -4.822
  242    HB   VAL  32           HB       VAL  32  -2.851   4.916  -2.838
  243   1HG1  VAL  32          1HG1      VAL  32  -1.166   3.409  -4.856
  244   2HG1  VAL  32          3HG1      VAL  32  -0.602   4.802  -3.935
  245   3HG1  VAL  32          2HG1      VAL  32  -1.042   3.312  -3.100
  246   1HG2  VAL  32          1HG2      VAL  32  -3.153   4.969  -5.843
  247   2HG2  VAL  32          3HG2      VAL  32  -3.881   6.048  -4.652
  248   3HG2  VAL  32          2HG2      VAL  32  -2.155   6.152  -4.997
  249    H    LYS  33           H        LYS  33  -2.165   1.272  -3.450
  250    HA   LYS  33           HA       LYS  33  -3.372   0.884  -0.741
  251   1HB   LYS  33          2HB       LYS  33  -2.457  -1.224  -2.713
  252   2HB   LYS  33          1HB       LYS  33  -2.966  -1.554  -1.057
  253   1HG   LYS  33          2HG       LYS  33  -5.145  -1.433  -1.618
  254   2HG   LYS  33          1HG       LYS  33  -4.906   0.113  -2.431
  255   1HD   LYS  33          2HD       LYS  33  -3.708  -2.001  -3.987
  256   2HD   LYS  33          1HD       LYS  33  -5.393  -2.393  -3.640
  257   1HE   LYS  33          2HE       LYS  33  -4.457   0.268  -4.750
  258   2HE   LYS  33          1HE       LYS  33  -5.108  -1.042  -5.731
  259   1HZ   LYS  33          2HZ       LYS  33  -6.648  -0.098  -3.419
  260   2HZ   LYS  33          1HZ       LYS  33  -6.655   0.826  -4.842
  261   3HZ   LYS  33          3HZ       LYS  33  -7.194  -0.781  -4.874
  262    H    CYS  34           H        CYS  34  -1.923  -0.056   0.853
  263    HA   CYS  34           HA       CYS  34   0.882   0.800   0.425
  264   1HB   CYS  34          2HB       CYS  34  -0.663  -0.067   2.884
  265   2HB   CYS  34          1HB       CYS  34   1.063   0.289   2.901
  266    H    CYS  35           H        CYS  35   1.784  -0.902  -0.813
  267    HA   CYS  35           HA       CYS  35   1.472  -3.646   0.303
  268   1HB   CYS  35          2HB       CYS  35   2.395  -2.616  -2.383
  269   2HB   CYS  35          1HB       CYS  35   2.594  -4.299  -1.896
  270    NH1  ARG  36           NH1      ARG  36   5.073  -3.421   7.191
  271    NH2  ARG  36           NH2      ARG  36   4.693  -5.557   6.516
  272    H    ARG  36           H        ARG  36   3.318  -4.900   0.795
  273    HA   ARG  36           HA       ARG  36   5.935  -3.474   0.793
  274   1HB   ARG  36          2HB       ARG  36   4.369  -3.919   3.095
  275   2HB   ARG  36          1HB       ARG  36   5.635  -5.146   3.139
  276   1HG   ARG  36          2HG       ARG  36   7.363  -3.464   2.933
  277   2HG   ARG  36          1HG       ARG  36   6.161  -2.200   2.673
  278   1HD   ARG  36          2HD       ARG  36   7.133  -2.413   5.049
  279   2HD   ARG  36          1HD       ARG  36   5.377  -2.331   4.908
  280    HE   ARG  36           HE       ARG  36   6.692  -5.001   5.062
  281   1HH1  ARG  36          2HH1      ARG  36   5.540  -2.542   7.071
  282   2HH1  ARG  36          1HH1      ARG  36   4.433  -3.544   7.951
  283   1HH2  ARG  36          1HH2      ARG  36   4.872  -6.311   5.876
  284   2HH2  ARG  36          2HH2      ARG  36   4.053  -5.689   7.272
  285    H    SER  37           H        SER  37   7.742  -5.080   1.216
  286    HA   SER  37           HA       SER  37   7.169  -7.565  -0.281
  287   1HB   SER  37          2HB       SER  37   9.904  -7.271   0.645
  288   2HB   SER  37          1HB       SER  37   9.294  -7.352  -1.006
  289    HG   SER  37           HG       SER  37  10.057  -5.332  -0.870
  290    CH2  TRP  38           CH2      TRP  38  10.354  -2.786   3.514
  291    H    TRP  38           HN       TRP  38   7.898  -6.457   2.948
  292    HA   TRP  38           HA       TRP  38   7.924  -9.301   3.866
  293   1HB   TRP  38          2HB       TRP  38   9.272  -8.549   5.786
  294   2HB   TRP  38          1HB       TRP  38  10.085  -8.147   4.274
  295    HD1  TRP  38           HD1      TRP  38   8.444  -6.602   7.300
  296    HE1  TRP  38           HE1      TRP  38   8.760  -4.044   7.233
  297    HE3  TRP  38           HE3      TRP  38  10.343  -6.069   2.592
  298    HZ2  TRP  38           HZ2      TRP  38   9.694  -2.037   5.421
  299    HZ3  TRP  38           HZ3      TRP  38  10.937  -3.828   1.720
  300    HH2  TRP  38           HH2      TRP  38  10.615  -1.812   3.129
   
  Start of MODEL           9
 Raw file had  300 H/Q atoms
  Start of MODEL    9
    1   1H    ALA   1          2H        ALA   1   9.307  14.937   2.461
    2   2H    ALA   1          1H        ALA   1   9.314  15.706   0.943
    3   3H    ALA   1          3H        ALA   1   8.434  16.376   2.231
    4    HA   ALA   1           HA       ALA   1   6.687  15.348   1.340
    5   1HB   ALA   1          2HB       ALA   1   8.750  13.608  -0.028
    6   2HB   ALA   1          1HB       ALA   1   7.020  13.288  -0.150
    7   3HB   ALA   1          3HB       ALA   1   7.683  14.802  -0.755
    8    HA   PRO   2           HA       PRO   2   6.125  12.347   4.475
    9   1HB   PRO   2          2HB       PRO   2   3.610  11.506   3.740
   10   2HB   PRO   2          1HB       PRO   2   3.936  13.042   4.564
   11   1HG   PRO   2          2HG       PRO   2   3.217  12.558   1.716
   12   2HG   PRO   2          1HG       PRO   2   2.987  14.010   2.703
   13   1HD   PRO   2          2HD       PRO   2   5.024  13.610   0.764
   14   2HD   PRO   2          1HD       PRO   2   4.946  14.928   1.953
   15    H    LEU   3           H        LEU   3   6.463  10.148   4.736
   16    HA   LEU   3           HA       LEU   3   7.130   8.609   2.348
   17   1HB   LEU   3          2HB       LEU   3   7.879   8.544   5.051
   18   2HB   LEU   3          1HB       LEU   3   6.978   7.049   4.790
   19    HG   LEU   3           HG       LEU   3   8.382   6.507   2.862
   20   1HD1  LEU   3          3HD1      LEU   3   8.965   9.289   2.958
   21   2HD1  LEU   3          2HD1      LEU   3  10.484   8.438   3.234
   22   3HD1  LEU   3          1HD1      LEU   3   9.539   8.107   1.784
   23   1HD2  LEU   3          2HD2      LEU   3   9.522   7.034   5.558
   24   2HD2  LEU   3          1HD2      LEU   3   9.413   5.523   4.658
   25   3HD2  LEU   3          3HD2      LEU   3  10.681   6.686   4.275
   26    H    SER   4           H        SER   4   5.551   7.693   1.192
   27    HA   SER   4           HA       SER   4   2.879   7.273   2.016
   28   1HB   SER   4          2HB       SER   4   3.722   5.313   0.064
   29   2HB   SER   4          1HB       SER   4   2.690   6.724  -0.162
   30    HG   SER   4           HG       SER   4   4.380   7.876  -0.780
   31    H    CYS   5           H        CYS   5   2.359   6.001   3.751
   32    HA   CYS   5           HA       CYS   5   2.159   4.078   5.079
   33   1HB   CYS   5          2HB       CYS   5   3.758   2.542   3.040
   34   2HB   CYS   5          1HB       CYS   5   2.467   1.964   4.092
   35    H    GLY   6           H        GLY   6   4.415   5.907   5.350
   36   1HA   GLY   6          2HA       GLY   6   6.877   4.473   5.657
   37   2HA   GLY   6          1HA       GLY   6   6.498   6.014   6.427
   38    NH1  ARG   7           NH2      ARG   7   5.465   2.033  12.746
   39    NH2  ARG   7           NH1      ARG   7   5.815   3.395  14.532
   40    H    ARG   7           H        ARG   7   4.248   5.214   7.950
   41    HA   ARG   7           HA       ARG   7   5.539   4.053  10.232
   42   1HB   ARG   7          2HB       ARG   7   2.739   4.811   9.510
   43   2HB   ARG   7          1HB       ARG   7   2.963   3.715  10.873
   44   1HG   ARG   7          2HG       ARG   7   4.245   6.445  10.544
   45   2HG   ARG   7          1HG       ARG   7   2.950   6.033  11.668
   46   1HD   ARG   7          2HD       ARG   7   5.787   4.970  11.688
   47   2HD   ARG   7          1HD       ARG   7   5.032   6.004  12.899
   48    HE   ARG   7           HE       ARG   7   3.394   3.859  13.013
   49   1HH1  ARG   7          1HH2      ARG   7   5.007   1.847  11.872
   50   2HH1  ARG   7          2HH2      ARG   7   6.115   1.369  13.117
   51   1HH2  ARG   7          2HH1      ARG   7   5.624   4.248  15.021
   52   2HH2  ARG   7          1HH1      ARG   7   6.467   2.737  14.913
   53    H    ASN   8           H        ASN   8   3.608   2.731   7.615
   54    HA   ASN   8           HA       ASN   8   3.399   0.093   8.866
   55   1HB   ASN   8          2HB       ASN   8   2.966   0.646   5.936
   56   2HB   ASN   8          1HB       ASN   8   2.165  -0.539   6.966
   57   1HD2  ASN   8          2HD2      ASN   8  -0.306   1.737   8.107
   58   2HD2  ASN   8          1HD2      ASN   8   0.353   0.179   8.256
   59    H    GLY   9           H        GLY   9   5.604   1.768   6.738
   60   1HA   GLY   9          2HA       GLY   9   7.810   1.085   6.206
   61   2HA   GLY   9          1HA       GLY   9   7.454  -0.504   6.885
   62    H    GLY  10           H        GLY  10   5.537   1.180   4.415
   63   1HA   GLY  10          2HA       GLY  10   6.515  -0.781   2.399
   64   2HA   GLY  10          1HA       GLY  10   4.780  -0.656   2.696
   65    H    VAL  11           H        VAL  11   4.647   0.011   0.392
   66    HA   VAL  11           HA       VAL  11   5.161   2.940   0.153
   67    HB   VAL  11           HB       VAL  11   5.442   2.196  -2.423
   68   1HG1  VAL  11          2HG1      VAL  11   6.990   3.503  -0.826
   69   2HG1  VAL  11          1HG1      VAL  11   7.780   1.955  -0.525
   70   3HG1  VAL  11          3HG1      VAL  11   7.756   2.631  -2.154
   71   1HG2  VAL  11          3HG2      VAL  11   5.217  -0.235  -1.685
   72   2HG2  VAL  11          2HG2      VAL  11   6.655   0.136  -2.635
   73   3HG2  VAL  11          1HG2      VAL  11   6.778  -0.048  -0.885
   74    H    CYS  12           H        CYS  12   3.678   3.995  -1.367
   75    HA   CYS  12           HA       CYS  12   1.028   2.711  -1.318
   76   1HB   CYS  12          2HB       CYS  12   2.013   5.466  -2.074
   77   2HB   CYS  12          1HB       CYS  12   0.349   4.959  -2.361
   78    H    ILE  13           H        ILE  13   1.224   1.066  -2.897
   79    HA   ILE  13           HA       ILE  13   1.914   1.939  -5.656
   80    HB   ILE  13           HB       ILE  13   1.390  -0.893  -4.739
   81   1HG1  ILE  13          2HG1      ILE  13   3.970   0.703  -4.614
   82   2HG1  ILE  13          1HG1      ILE  13   3.095   0.016  -3.246
   83   1HG2  ILE  13          1HG2      ILE  13   2.539   0.468  -7.127
   84   2HG2  ILE  13          3HG2      ILE  13   3.312  -1.033  -6.620
   85   3HG2  ILE  13          2HG2      ILE  13   1.597  -1.018  -7.025
   86   1HD1  ILE  13          1HD1      ILE  13   3.410  -2.196  -4.800
   87   2HD1  ILE  13          3HD1      ILE  13   4.877  -1.306  -5.199
   88   3HD1  ILE  13          2HD1      ILE  13   4.532  -1.728  -3.524
   89    HA   PRO  14           HA       PRO  14  -2.474   1.935  -6.391
   90   1HB   PRO  14          2HB       PRO  14  -2.268   2.844  -8.975
   91   2HB   PRO  14          1HB       PRO  14  -2.154   3.897  -7.556
   92   1HG   PRO  14          2HG       PRO  14   0.016   2.945  -9.364
   93   2HG   PRO  14          1HG       PRO  14  -0.053   4.410  -8.370
   94   1HD   PRO  14          2HD       PRO  14   1.372   2.042  -7.742
   95   2HD   PRO  14          1HD       PRO  14   1.030   3.385  -6.629
   96    H    ILE  15           H        ILE  15  -3.883   0.991  -8.221
   97    HA   ILE  15           HA       ILE  15  -4.551  -0.923  -9.383
   98    HB   ILE  15           HB       ILE  15  -1.694  -0.999 -10.392
   99   1HG1  ILE  15          2HG1      ILE  15  -2.583   1.326 -10.470
  100   2HG1  ILE  15          1HG1      ILE  15  -2.374   0.641 -12.081
  101   1HG2  ILE  15          3HG2      ILE  15  -3.997  -2.509 -10.967
  102   2HG2  ILE  15          2HG2      ILE  15  -3.845  -1.376 -12.306
  103   3HG2  ILE  15          1HG2      ILE  15  -2.510  -2.456 -11.911
  104   1HD1  ILE  15          3HD1      ILE  15  -4.986  -0.063 -11.158
  105   2HD1  ILE  15          2HD1      ILE  15  -4.765   1.669 -10.909
  106   3HD1  ILE  15          1HD1      ILE  15  -4.552   0.975 -12.516
  107    NH1  ARG  16           NH2      ARG  16   2.258  -4.453 -10.082
  108    NH2  ARG  16           NH1      ARG  16   2.859  -6.502 -10.849
  109    H    ARG  16           H        ARG  16  -1.692  -2.686  -9.727
  110    HA   ARG  16           HA       ARG  16  -2.301  -4.173  -7.209
  111   1HB   ARG  16          2HB       ARG  16  -1.403  -6.188  -8.461
  112   2HB   ARG  16          1HB       ARG  16  -2.932  -5.557  -9.069
  113   1HG   ARG  16          2HG       ARG  16  -2.027  -5.101 -11.080
  114   2HG   ARG  16          1HG       ARG  16  -0.688  -4.222 -10.339
  115   1HD   ARG  16          2HD       ARG  16  -0.819  -7.244 -10.465
  116   2HD   ARG  16          1HD       ARG  16   0.000  -6.260 -11.677
  117    HE   ARG  16           HE       ARG  16   0.848  -6.557  -8.839
  118   1HH1  ARG  16          1HH2      ARG  16   1.598  -3.861  -9.612
  119   2HH1  ARG  16          2HH2      ARG  16   3.108  -4.065 -10.439
  120   1HH2  ARG  16          2HH1      ARG  16   2.658  -7.478 -10.965
  121   2HH2  ARG  16          1HH1      ARG  16   3.713  -6.124 -11.209
  122    H    CYS  17           H        CYS  17  -0.397  -5.316  -6.290
  123    HA   CYS  17           HA       CYS  17   2.097  -3.747  -6.790
  124   1HB   CYS  17          2HB       CYS  17   1.850  -5.338  -4.301
  125   2HB   CYS  17          1HB       CYS  17   2.470  -3.705  -4.533
  126    HA   PRO  18           HA       PRO  18   4.180  -7.462  -7.842
  127   1HB   PRO  18          2HB       PRO  18   6.669  -6.977  -6.773
  128   2HB   PRO  18          1HB       PRO  18   6.061  -6.182  -8.235
  129   1HG   PRO  18          2HG       PRO  18   6.376  -5.071  -5.488
  130   2HG   PRO  18          1HG       PRO  18   6.377  -4.227  -7.045
  131   1HD   PRO  18          2HD       PRO  18   4.216  -4.339  -5.217
  132   2HD   PRO  18          1HD       PRO  18   4.133  -3.780  -6.902
  133    H    VAL  19           H        VAL  19   5.293  -9.394  -6.895
  134    HA   VAL  19           HA       VAL  19   4.073 -10.312  -4.501
  135    HB   VAL  19           HB       VAL  19   6.153 -11.261  -6.375
  136   1HG1  VAL  19          2HG1      VAL  19   7.284 -11.375  -4.094
  137   2HG1  VAL  19          1HG1      VAL  19   6.022 -12.516  -3.625
  138   3HG1  VAL  19          3HG1      VAL  19   7.123 -12.911  -4.944
  139   1HG2  VAL  19          2HG2      VAL  19   3.615 -12.156  -5.130
  140   2HG2  VAL  19          1HG2      VAL  19   4.188 -12.352  -6.785
  141   3HG2  VAL  19          3HG2      VAL  19   4.767 -13.434  -5.517
  142    HA   PRO  20           HA       PRO  20   4.432 -11.654  -2.939
  143   1HB   PRO  20          2HB       PRO  20   3.933 -11.414  -0.249
  144   2HB   PRO  20          1HB       PRO  20   5.287 -12.341  -0.917
  145   1HG   PRO  20          2HG       PRO  20   5.326  -9.701   0.459
  146   2HG   PRO  20          1HG       PRO  20   6.618 -10.902   0.299
  147   1HD   PRO  20          2HD       PRO  20   6.345  -8.506  -1.212
  148   2HD   PRO  20          1HD       PRO  20   7.489  -9.828  -1.526
  149    H    MET  21           H        MET  21   4.144  -8.307  -2.570
  150    HA   MET  21           HA       MET  21   2.307  -6.871  -2.641
  151   1HB   MET  21          2HB       MET  21   1.603  -8.645  -4.373
  152   2HB   MET  21          1HB       MET  21   0.570  -9.295  -3.100
  153   1HG   MET  21          2HG       MET  21  -0.113  -6.706  -2.893
  154   2HG   MET  21          1HG       MET  21   0.343  -6.730  -4.597
  155   1HE   MET  21          1HE       MET  21  -0.106  -8.617  -6.012
  156   2HE   MET  21          3HE       MET  21  -0.708 -10.091  -5.245
  157   3HE   MET  21          2HE       MET  21  -1.747  -9.170  -6.325
  158    NH1  ARG  22           NH1      ARG  22   3.768 -11.516   2.658
  159    NH2  ARG  22           NH2      ARG  22   5.583 -11.342   4.013
  160    H    ARG  22           H        ARG  22   3.008  -7.219  -0.147
  161    HA   ARG  22           HA       ARG  22   0.768  -8.347   1.417
  162   1HB   ARG  22          2HB       ARG  22   3.403  -8.353   1.931
  163   2HB   ARG  22          1HB       ARG  22   2.984  -6.835   2.724
  164   1HG   ARG  22          2HG       ARG  22   1.409  -7.904   4.163
  165   2HG   ARG  22          1HG       ARG  22   1.444  -9.392   3.217
  166   1HD   ARG  22          2HD       ARG  22   3.517  -8.303   5.105
  167   2HD   ARG  22          1HD       ARG  22   2.831  -9.924   5.031
  168    HE   ARG  22           HE       ARG  22   4.881  -8.853   3.143
  169   1HH1  ARG  22          2HH1      ARG  22   2.982 -11.092   2.205
  170   2HH1  ARG  22          1HH1      ARG  22   3.952 -12.491   2.528
  171   1HH2  ARG  22          1HH2      ARG  22   6.181 -10.781   4.594
  172   2HH2  ARG  22          2HH2      ARG  22   5.776 -12.314   3.892
  173    H    GLN  23           H        GLN  23  -0.988  -6.977   1.346
  174    HA   GLN  23           HA       GLN  23  -0.703  -4.091   1.237
  175   1HB   GLN  23          2HB       GLN  23  -2.836  -6.018   1.014
  176   2HB   GLN  23          1HB       GLN  23  -3.303  -4.753   2.149
  177   1HG   GLN  23          2HG       GLN  23  -3.931  -3.724   0.182
  178   2HG   GLN  23          1HG       GLN  23  -2.252  -3.188   0.255
  179   1HE2  GLN  23          2HE2      GLN  23  -3.077  -6.326  -2.289
  180   2HE2  GLN  23          1HE2      GLN  23  -3.925  -6.218  -0.822
  181    H    ILE  24           H        ILE  24  -0.278  -2.810   2.947
  182    HA   ILE  24           HA       ILE  24  -1.024  -3.791   5.677
  183    HB   ILE  24           HB       ILE  24   0.957  -2.556   6.513
  184   1HG1  ILE  24          2HG1      ILE  24   0.835  -1.449   3.867
  185   2HG1  ILE  24          1HG1      ILE  24   1.874  -0.968   5.202
  186   1HG2  ILE  24          2HG2      ILE  24   1.370  -4.637   4.357
  187   2HG2  ILE  24          1HG2      ILE  24   2.705  -4.031   5.338
  188   3HG2  ILE  24          3HG2      ILE  24   1.355  -4.867   6.105
  189   1HD1  ILE  24          3HD1      ILE  24   3.442  -2.812   4.586
  190   2HD1  ILE  24          2HD1      ILE  24   2.432  -3.153   3.181
  191   3HD1  ILE  24          1HD1      ILE  24   3.266  -1.605   3.315
  192    H    GLY  25           H        GLY  25  -2.383  -1.935   3.635
  193   1HA   GLY  25          2HA       GLY  25  -3.777  -0.205   5.182
  194   2HA   GLY  25          1HA       GLY  25  -2.262   0.679   4.974
  195    H    THR  26           H        THR  26  -4.109   2.103   3.884
  196    HA   THR  26           HA       THR  26  -4.049   1.402   0.985
  197    HB   THR  26           HB       THR  26  -6.314   2.612   0.898
  198    HG1  THR  26           HG1      THR  26  -6.065   3.417   3.089
  199   1HG2  THR  26          2HG2      THR  26  -5.870  -0.057   2.239
  200   2HG2  THR  26          1HG2      THR  26  -7.478   0.512   1.797
  201   3HG2  THR  26          3HG2      THR  26  -6.261   0.258   0.548
  202    H    CYS  27           H        CYS  27  -4.319   3.382  -0.417
  203    HA   CYS  27           HA       CYS  27  -3.345   5.856   0.937
  204   1HB   CYS  27          2HB       CYS  27  -2.258   4.749  -1.664
  205   2HB   CYS  27          1HB       CYS  27  -1.723   6.214  -0.847
  206    H    PHE  28           H        PHE  28  -4.286   7.702   0.181
  207    HA   PHE  28           HA       PHE  28  -5.834   9.042  -0.950
  208   1HB   PHE  28          2HB       PHE  28  -5.069   7.385  -3.362
  209   2HB   PHE  28          1HB       PHE  28  -5.635   9.055  -3.338
  210    HD1  PHE  28           HD1      PHE  28  -4.199  10.693  -1.809
  211    HD2  PHE  28           HD2      PHE  28  -2.767   6.999  -3.471
  212    HE1  PHE  28           HE1      PHE  28  -1.863  11.482  -1.553
  213    HE2  PHE  28           HE2      PHE  28  -0.432   7.791  -3.217
  214    HZ   PHE  28           HZ       PHE  28   0.019  10.031  -2.256
  215    H    GLY  29           H        GLY  29  -6.932   6.688   0.302
  216   1HA   GLY  29          2HA       GLY  29  -9.252   6.036   0.327
  217   2HA   GLY  29          1HA       GLY  29  -9.348   6.417  -1.394
  218    NH1  ARG  30           NH1      ARG  30  -9.177   2.100   1.727
  219    NH2  ARG  30           NH2      ARG  30 -10.387   0.362   2.545
  220    H    ARG  30           H        ARG  30  -9.871   4.507  -2.375
  221    HA   ARG  30           HA       ARG  30  -8.429   2.061  -1.500
  222   1HB   ARG  30          2HB       ARG  30 -10.817   2.153  -3.333
  223   2HB   ARG  30          1HB       ARG  30 -10.221   0.795  -2.380
  224   1HG   ARG  30          2HG       ARG  30 -10.755   3.080  -0.673
  225   2HG   ARG  30          1HG       ARG  30 -12.186   2.656  -1.612
  226   1HD   ARG  30          2HD       ARG  30 -12.195   1.374   0.459
  227   2HD   ARG  30          1HD       ARG  30 -11.901   0.279  -0.891
  228    HE   ARG  30           HE       ARG  30  -9.583   0.106  -0.193
  229   1HH1  ARG  30          2HH1      ARG  30  -8.827   2.621   0.946
  230   2HH1  ARG  30          1HH1      ARG  30  -8.948   2.387   2.659
  231   1HH2  ARG  30          1HH2      ARG  30 -10.960  -0.444   2.389
  232   2HH2  ARG  30          2HH2      ARG  30 -10.169   0.645   3.481
  233    HA   PRO  31           HA       PRO  31  -7.619   2.496  -6.230
  234   1HB   PRO  31          2HB       PRO  31  -6.280   4.834  -6.784
  235   2HB   PRO  31          1HB       PRO  31  -8.029   4.630  -6.988
  236   1HG   PRO  31          2HG       PRO  31  -6.543   6.082  -4.845
  237   2HG   PRO  31          1HG       PRO  31  -8.171   6.377  -5.481
  238   1HD   PRO  31          2HD       PRO  31  -7.581   5.072  -3.061
  239   2HD   PRO  31          1HD       PRO  31  -9.139   5.022  -3.910
  240    H    VAL  32           H        VAL  32  -5.465   4.208  -3.924
  241    HA   VAL  32           HA       VAL  32  -3.236   2.486  -4.906
  242    HB   VAL  32           HB       VAL  32  -3.030   4.952  -3.160
  243   1HG1  VAL  32          3HG1      VAL  32  -1.091   3.316  -4.806
  244   2HG1  VAL  32          2HG1      VAL  32  -0.706   4.933  -4.220
  245   3HG1  VAL  32          1HG1      VAL  32  -1.034   3.634  -3.073
  246   1HG2  VAL  32          2HG2      VAL  32  -3.760   4.755  -5.935
  247   2HG2  VAL  32          1HG2      VAL  32  -3.513   6.207  -4.968
  248   3HG2  VAL  32          3HG2      VAL  32  -2.154   5.471  -5.814
  249    H    LYS  33           H        LYS  33  -2.018   1.278  -3.317
  250    HA   LYS  33           HA       LYS  33  -3.264   1.214  -0.605
  251   1HB   LYS  33          2HB       LYS  33  -2.548  -1.190  -2.305
  252   2HB   LYS  33          1HB       LYS  33  -3.097  -1.259  -0.631
  253   1HG   LYS  33          2HG       LYS  33  -5.261  -0.920  -1.206
  254   2HG   LYS  33          1HG       LYS  33  -4.847   0.341  -2.364
  255   1HD   LYS  33          2HD       LYS  33  -4.163  -2.495  -3.039
  256   2HD   LYS  33          1HD       LYS  33  -5.841  -1.975  -3.189
  257   1HE   LYS  33          2HE       LYS  33  -5.140  -1.337  -5.278
  258   2HE   LYS  33          1HE       LYS  33  -4.632   0.109  -4.407
  259   1HZ   LYS  33          3HZ       LYS  33  -2.637  -1.860  -4.178
  260   2HZ   LYS  33          2HZ       LYS  33  -3.044  -1.687  -5.816
  261   3HZ   LYS  33          1HZ       LYS  33  -2.538  -0.338  -4.918
  262    H    CYS  34           H        CYS  34  -1.849   0.069   0.992
  263    HA   CYS  34           HA       CYS  34   0.959   0.884   0.574
  264   1HB   CYS  34          2HB       CYS  34  -0.585  -0.120   2.979
  265   2HB   CYS  34          1HB       CYS  34   1.152   0.179   3.013
  266    H    CYS  35           H        CYS  35   1.740  -0.742  -0.852
  267    HA   CYS  35           HA       CYS  35   1.419  -3.565  -0.004
  268   1HB   CYS  35          2HB       CYS  35   2.951  -2.637  -2.428
  269   2HB   CYS  35          1HB       CYS  35   2.109  -4.164  -2.175
  270    NH1  ARG  36           NH1      ARG  36   5.773  -4.702   7.510
  271    NH2  ARG  36           NH2      ARG  36   6.093  -6.870   6.902
  272    H    ARG  36           H        ARG  36   3.175  -4.841   0.642
  273    HA   ARG  36           HA       ARG  36   5.769  -3.391   1.000
  274   1HB   ARG  36          2HB       ARG  36   4.111  -4.391   3.017
  275   2HB   ARG  36          1HB       ARG  36   5.363  -5.620   2.836
  276   1HG   ARG  36          2HG       ARG  36   7.113  -3.988   3.161
  277   2HG   ARG  36          1HG       ARG  36   5.951  -2.662   3.118
  278   1HD   ARG  36          2HD       ARG  36   6.563  -3.170   5.440
  279   2HD   ARG  36          1HD       ARG  36   4.869  -3.567   5.162
  280    HE   ARG  36           HE       ARG  36   6.433  -5.899   4.658
  281   1HH1  ARG  36          2HH1      ARG  36   5.707  -3.733   7.268
  282   2HH1  ARG  36          1HH1      ARG  36   5.663  -4.983   8.465
  283   1HH2  ARG  36          1HH2      ARG  36   6.272  -7.557   6.193
  284   2HH2  ARG  36          2HH2      ARG  36   5.985  -7.157   7.854
  285    H    SER  37           H        SER  37   7.667  -4.708   0.743
  286    HA   SER  37           HA       SER  37   7.225  -6.984  -1.082
  287   1HB   SER  37          2HB       SER  37   9.999  -6.445  -0.447
  288   2HB   SER  37          1HB       SER  37   9.170  -6.331  -1.997
  289    HG   SER  37           HG       SER  37   9.631  -4.271  -1.611
  290    CH2  TRP  38           CH2      TRP  38   9.946  -2.744   3.402
  291    H    TRP  38           HN       TRP  38   7.510  -6.606   2.233
  292    HA   TRP  38           HA       TRP  38   8.267  -9.450   2.523
  293   1HB   TRP  38          2HB       TRP  38   9.884  -8.969   4.289
  294   2HB   TRP  38          1HB       TRP  38  10.365  -8.119   2.822
  295    HD1  TRP  38           HD1      TRP  38   9.199  -7.560   6.362
  296    HE1  TRP  38           HE1      TRP  38   9.247  -5.039   6.894
  297    HE3  TRP  38           HE3      TRP  38  10.069  -5.692   1.695
  298    HZ2  TRP  38           HZ2      TRP  38   9.608  -2.555   5.521
  299    HZ3  TRP  38           HZ3      TRP  38  10.260  -3.249   1.333
  300    HH2  TRP  38           HH2      TRP  38  10.031  -1.680   3.239
   
  Start of MODEL          10
 Raw file had  300 H/Q atoms
  Start of MODEL   10
    1   1H    ALA   1          3H        ALA   1  -8.343   8.183   5.853
    2   2H    ALA   1          2H        ALA   1  -9.054   9.509   5.061
    3   3H    ALA   1          1H        ALA   1 -10.015   8.439   5.963
    4    HA   ALA   1           HA       ALA   1 -10.274   7.065   4.272
    5   1HB   ALA   1          1HB       ALA   1  -9.300   9.575   3.123
    6   2HB   ALA   1          3HB       ALA   1  -8.995   8.187   2.081
    7   3HB   ALA   1          2HB       ALA   1 -10.637   8.549   2.609
    8    HA   PRO   2           HA       PRO   2  -5.949   5.764   2.836
    9   1HB   PRO   2          2HB       PRO   2  -3.828   7.449   3.289
   10   2HB   PRO   2          1HB       PRO   2  -4.830   7.511   1.830
   11   1HG   PRO   2          2HG       PRO   2  -4.795   9.371   4.158
   12   2HG   PRO   2          1HG       PRO   2  -5.271   9.683   2.480
   13   1HD   PRO   2          2HD       PRO   2  -7.031   9.253   4.657
   14   2HD   PRO   2          1HD       PRO   2  -7.470   9.256   2.936
   15    H    LEU   3           H        LEU   3  -3.865   4.969   3.977
   16    HA   LEU   3           HA       LEU   3  -4.186   5.188   6.943
   17   1HB   LEU   3          2HB       LEU   3  -4.486   2.890   5.359
   18   2HB   LEU   3          1HB       LEU   3  -2.882   2.738   6.079
   19    HG   LEU   3           HG       LEU   3  -3.882   3.198   8.316
   20   1HD1  LEU   3          2HD1      LEU   3  -5.861   4.461   7.332
   21   2HD1  LEU   3          1HD1      LEU   3  -6.549   2.893   6.912
   22   3HD1  LEU   3          3HD1      LEU   3  -6.265   3.308   8.603
   23   1HD2  LEU   3          1HD2      LEU   3  -4.196   0.857   6.683
   24   2HD2  LEU   3          3HD2      LEU   3  -3.984   0.949   8.431
   25   3HD2  LEU   3          2HD2      LEU   3  -5.603   1.003   7.735
   26    H    SER   4           H        SER   4  -2.062   4.593   8.074
   27    HA   SER   4           HA       SER   4   0.040   6.248   6.989
   28   1HB   SER   4          2HB       SER   4   1.188   4.720   9.003
   29   2HB   SER   4          1HB       SER   4   0.393   6.276   9.221
   30    HG   SER   4           HG       SER   4  -1.139   5.266  10.229
   31    H    CYS   5           H        CYS   5   1.028   5.499   5.144
   32    HA   CYS   5           HA       CYS   5   1.475   2.708   4.578
   33   1HB   CYS   5          2HB       CYS   5   1.734   5.152   3.190
   34   2HB   CYS   5          1HB       CYS   5   3.348   4.443   3.214
   35    H    GLY   6           H        GLY   6   3.509   5.283   5.949
   36   1HA   GLY   6          2HA       GLY   6   5.902   3.674   6.051
   37   2HA   GLY   6          1HA       GLY   6   5.634   5.173   6.939
   38    NH1  ARG   7           NH1      ARG   7  -0.549   1.026   8.158
   39    NH2  ARG   7           NH2      ARG   7  -1.276  -0.411   9.753
   40    H    ARG   7           H        ARG   7   3.029   3.563   7.897
   41    HA   ARG   7           HA       ARG   7   3.929   2.985  10.499
   42   1HB   ARG   7          2HB       ARG   7   1.502   3.083   9.443
   43   2HB   ARG   7          1HB       ARG   7   1.729   1.342   9.303
   44   1HG   ARG   7          2HG       ARG   7   2.508   1.521  11.805
   45   2HG   ARG   7          1HG       ARG   7   1.604   3.038  11.776
   46   1HD   ARG   7          2HD       ARG   7   0.605   0.231  11.445
   47   2HD   ARG   7          1HD       ARG   7  -0.071   1.551  12.401
   48    HE   ARG   7           HE       ARG   7  -0.912   2.536  10.289
   49   1HH1  ARG   7          2HH1      ARG   7  -0.168   1.917   7.901
   50   2HH1  ARG   7          1HH1      ARG   7  -0.751   0.347   7.449
   51   1HH2  ARG   7          1HH2      ARG   7  -1.451  -0.621  10.716
   52   2HH2  ARG   7          2HH2      ARG   7  -1.477  -1.096   9.050
   53    H    ASN   8           H        ASN   8   3.455   0.708   7.774
   54    HA   ASN   8           HA       ASN   8   5.167  -1.223   9.287
   55   1HB   ASN   8          2HB       ASN   8   3.093  -1.775   7.145
   56   2HB   ASN   8          1HB       ASN   8   4.063  -2.994   7.971
   57   1HD2  ASN   8          2HD2      ASN   8   2.294  -2.580  11.107
   58   2HD2  ASN   8          1HD2      ASN   8   3.847  -2.896  10.497
   59    H    GLY   9           H        GLY   9   6.009   0.999   7.442
   60   1HA   GLY   9          2HA       GLY   9   7.584   1.299   5.737
   61   2HA   GLY   9          1HA       GLY   9   8.075  -0.366   6.054
   62    H    GLY  10           H        GLY  10   4.943   0.876   4.891
   63   1HA   GLY  10          2HA       GLY  10   5.187  -1.019   2.610
   64   2HA   GLY  10          1HA       GLY  10   3.676  -0.328   3.204
   65    H    VAL  11           H        VAL  11   4.468  -0.226   0.466
   66    HA   VAL  11           HA       VAL  11   5.077   2.682   0.148
   67    HB   VAL  11           HB       VAL  11   5.196   1.083  -2.295
   68   1HG1  VAL  11          3HG1      VAL  11   6.118   3.396  -1.889
   69   2HG1  VAL  11          2HG1      VAL  11   7.333   2.666  -0.840
   70   3HG1  VAL  11          1HG1      VAL  11   7.292   2.262  -2.557
   71   1HG2  VAL  11          2HG2      VAL  11   6.777   0.239   0.130
   72   2HG2  VAL  11          1HG2      VAL  11   5.971  -0.769  -1.070
   73   3HG2  VAL  11          3HG2      VAL  11   7.468   0.067  -1.483
   74    H    CYS  12           H        CYS  12   3.663   3.915  -1.143
   75    HA   CYS  12           HA       CYS  12   0.941   2.890  -1.346
   76   1HB   CYS  12          2HB       CYS  12   2.233   5.497  -2.199
   77   2HB   CYS  12          1HB       CYS  12   0.516   5.155  -2.406
   78    H    ILE  13           H        ILE  13   1.156   1.153  -2.866
   79    HA   ILE  13           HA       ILE  13   1.988   1.925  -5.614
   80    HB   ILE  13           HB       ILE  13   1.249  -0.858  -4.724
   81   1HG1  ILE  13          2HG1      ILE  13   3.884   0.596  -4.334
   82   2HG1  ILE  13          1HG1      ILE  13   2.871  -0.118  -3.079
   83   1HG2  ILE  13          3HG2      ILE  13   2.112   0.306  -7.137
   84   2HG2  ILE  13          2HG2      ILE  13   3.516  -0.547  -6.501
   85   3HG2  ILE  13          1HG2      ILE  13   2.005  -1.414  -6.770
   86   1HD1  ILE  13          3HD1      ILE  13   3.217  -2.282  -4.658
   87   2HD1  ILE  13          2HD1      ILE  13   4.728  -1.433  -4.987
   88   3HD1  ILE  13          1HD1      ILE  13   4.309  -1.879  -3.333
   89    HA   PRO  14           HA       PRO  14  -2.376   2.109  -6.485
   90   1HB   PRO  14          2HB       PRO  14  -2.042   3.051  -9.045
   91   2HB   PRO  14          1HB       PRO  14  -1.939   4.083  -7.608
   92   1HG   PRO  14          2HG       PRO  14   0.258   3.071  -9.354
   93   2HG   PRO  14          1HG       PRO  14   0.207   4.527  -8.345
   94   1HD   PRO  14          2HD       PRO  14   1.519   2.099  -7.699
   95   2HD   PRO  14          1HD       PRO  14   1.192   3.441  -6.582
   96    H    ILE  15           H        ILE  15  -3.715   1.229  -8.430
   97    HA   ILE  15           HA       ILE  15  -4.353  -0.649  -9.668
   98    HB   ILE  15           HB       ILE  15  -1.460  -0.860 -10.514
   99   1HG1  ILE  15          2HG1      ILE  15  -2.229   1.566 -10.442
  100   2HG1  ILE  15          1HG1      ILE  15  -1.764   0.978 -12.038
  101   1HG2  ILE  15          1HG2      ILE  15  -4.141  -1.607 -11.566
  102   2HG2  ILE  15          3HG2      ILE  15  -2.972  -1.021 -12.748
  103   3HG2  ILE  15          2HG2      ILE  15  -2.593  -2.428 -11.757
  104   1HD1  ILE  15          2HD1      ILE  15  -4.556   0.410 -11.560
  105   2HD1  ILE  15          1HD1      ILE  15  -4.237   2.124 -11.300
  106   3HD1  ILE  15          3HD1      ILE  15  -3.826   1.376 -12.842
  107    NH1  ARG  16           NH1      ARG  16   1.200  -7.616  -9.129
  108    NH2  ARG  16           NH2      ARG  16   0.864  -8.904 -10.967
  109    H    ARG  16           H        ARG  16  -1.648  -2.559  -9.970
  110    HA   ARG  16           HA       ARG  16  -2.447  -4.164  -7.588
  111   1HB   ARG  16          2HB       ARG  16  -1.133  -5.985  -8.892
  112   2HB   ARG  16          1HB       ARG  16  -2.727  -5.524  -9.492
  113   1HG   ARG  16          2HG       ARG  16  -1.873  -4.423 -11.328
  114   2HG   ARG  16          1HG       ARG  16  -0.389  -3.967 -10.494
  115   1HD   ARG  16          2HD       ARG  16  -0.758  -6.108 -12.309
  116   2HD   ARG  16          1HD       ARG  16   0.693  -5.717 -11.390
  117    HE   ARG  16           HE       ARG  16  -1.436  -7.469 -10.224
  118   1HH1  ARG  16          2HH1      ARG  16   0.929  -6.842  -8.552
  119   2HH1  ARG  16          1HH1      ARG  16   2.000  -8.163  -8.882
  120   1HH2  ARG  16          1HH2      ARG  16   0.336  -9.113 -11.793
  121   2HH2  ARG  16          2HH2      ARG  16   1.663  -9.460 -10.732
  122    H    CYS  17           H        CYS  17  -0.661  -5.335  -6.487
  123    HA   CYS  17           HA       CYS  17   1.874  -3.748  -6.560
  124   1HB   CYS  17          2HB       CYS  17   1.133  -5.382  -4.171
  125   2HB   CYS  17          1HB       CYS  17   1.996  -3.846  -4.257
  126    HA   PRO  18           HA       PRO  18   3.912  -7.482  -7.601
  127   1HB   PRO  18          2HB       PRO  18   6.401  -6.924  -6.565
  128   2HB   PRO  18          1HB       PRO  18   5.778  -6.223  -8.069
  129   1HG   PRO  18          2HG       PRO  18   6.066  -4.955  -5.380
  130   2HG   PRO  18          1HG       PRO  18   6.099  -4.203  -6.985
  131   1HD   PRO  18          2HD       PRO  18   3.908  -4.163  -5.215
  132   2HD   PRO  18          1HD       PRO  18   3.838  -3.792  -6.951
  133    H    VAL  19           H        VAL  19   5.090  -9.340  -6.597
  134    HA   VAL  19           HA       VAL  19   3.870 -10.187  -4.162
  135    HB   VAL  19           HB       VAL  19   5.486 -12.082  -4.280
  136   1HG1  VAL  19          3HG1      VAL  19   4.033 -11.179  -6.768
  137   2HG1  VAL  19          2HG1      VAL  19   4.868 -12.729  -6.706
  138   3HG1  VAL  19          1HG1      VAL  19   3.542 -12.398  -5.592
  139   1HG2  VAL  19          2HG2      VAL  19   7.429 -10.763  -5.074
  140   2HG2  VAL  19          1HG2      VAL  19   7.108 -12.133  -6.137
  141   3HG2  VAL  19          3HG2      VAL  19   6.619 -10.509  -6.619
  142    HA   PRO  20           HA       PRO  20   4.460 -11.717  -2.696
  143   1HB   PRO  20          2HB       PRO  20   4.108 -11.666   0.029
  144   2HB   PRO  20          1HB       PRO  20   5.480 -12.455  -0.769
  145   1HG   PRO  20          2HG       PRO  20   5.420  -9.896   0.755
  146   2HG   PRO  20          1HG       PRO  20   6.777 -10.994   0.460
  147   1HD   PRO  20          2HD       PRO  20   6.270  -8.546  -0.892
  148   2HD   PRO  20          1HD       PRO  20   7.467  -9.776  -1.350
  149    H    MET  21           H        MET  21   3.825  -8.547  -2.647
  150    HA   MET  21           HA       MET  21   1.884  -7.262  -2.511
  151   1HB   MET  21          2HB       MET  21   1.060  -9.259  -3.890
  152   2HB   MET  21          1HB       MET  21   0.384  -9.886  -2.386
  153   1HG   MET  21          2HG       MET  21  -1.373  -8.486  -2.527
  154   2HG   MET  21          1HG       MET  21  -0.302  -7.094  -2.699
  155   1HE   MET  21          3HE       MET  21  -1.611 -10.144  -4.088
  156   2HE   MET  21          2HE       MET  21  -2.887  -9.391  -5.039
  157   3HE   MET  21          1HE       MET  21  -1.477 -10.069  -5.849
  158    NH1  ARG  22           NH2      ARG  22   4.325 -11.631   2.837
  159    NH2  ARG  22           NH1      ARG  22   6.335 -11.099   3.748
  160    H    ARG  22           H        ARG  22   3.067  -7.283  -0.164
  161    HA   ARG  22           HA       ARG  22   1.249  -8.336   1.914
  162   1HB   ARG  22          2HB       ARG  22   3.839  -8.307   2.028
  163   2HB   ARG  22          1HB       ARG  22   3.668  -6.591   2.384
  164   1HG   ARG  22          2HG       ARG  22   3.381  -7.181   4.545
  165   2HG   ARG  22          1HG       ARG  22   1.807  -7.819   4.065
  166   1HD   ARG  22          2HD       ARG  22   3.396  -9.434   5.294
  167   2HD   ARG  22          1HD       ARG  22   2.649 -10.018   3.808
  168    HE   ARG  22           HE       ARG  22   5.278  -8.770   3.422
  169   1HH1  ARG  22          1HH2      ARG  22   3.396 -11.368   2.571
  170   2HH1  ARG  22          2HH2      ARG  22   4.647 -12.563   2.663
  171   1HH2  ARG  22          2HH1      ARG  22   6.944 -10.426   4.178
  172   2HH2  ARG  22          1HH1      ARG  22   6.663 -12.029   3.575
  173    H    GLN  23           H        GLN  23  -0.609  -7.008   1.526
  174    HA   GLN  23           HA       GLN  23  -0.390  -4.116   1.422
  175   1HB   GLN  23          2HB       GLN  23  -2.523  -6.120   1.257
  176   2HB   GLN  23          1HB       GLN  23  -3.011  -4.667   2.128
  177   1HG   GLN  23          2HG       GLN  23  -3.481  -4.053  -0.068
  178   2HG   GLN  23          1HG       GLN  23  -1.842  -3.426   0.121
  179   1HE2  GLN  23          2HE2      GLN  23  -2.552  -6.365  -2.562
  180   2HE2  GLN  23          1HE2      GLN  23  -3.804  -5.642  -1.675
  181    H    ILE  24           H        ILE  24  -0.150  -2.789   3.132
  182    HA   ILE  24           HA       ILE  24  -1.083  -3.750   5.804
  183    HB   ILE  24           HB       ILE  24   0.856  -2.534   6.798
  184   1HG1  ILE  24          2HG1      ILE  24   1.028  -1.399   4.246
  185   2HG1  ILE  24          1HG1      ILE  24   2.201  -1.211   5.549
  186   1HG2  ILE  24          2HG2      ILE  24   1.534  -4.669   4.751
  187   2HG2  ILE  24          1HG2      ILE  24   2.582  -4.183   6.083
  188   3HG2  ILE  24          3HG2      ILE  24   1.027  -4.943   6.417
  189   1HD1  ILE  24          2HD1      ILE  24   2.257  -3.544   3.624
  190   2HD1  ILE  24          1HD1      ILE  24   3.146  -2.051   3.338
  191   3HD1  ILE  24          3HD1      ILE  24   3.520  -3.042   4.747
  192    H    GLY  25           H        GLY  25  -2.356  -1.979   3.753
  193   1HA   GLY  25          2HA       GLY  25  -3.741  -0.150   5.155
  194   2HA   GLY  25          1HA       GLY  25  -2.202   0.698   4.989
  195    H    THR  26           H        THR  26  -3.782   2.206   3.766
  196    HA   THR  26           HA       THR  26  -3.628   1.480   0.896
  197    HB   THR  26           HB       THR  26  -5.943   2.503   0.623
  198    HG1  THR  26           HG1      THR  26  -5.943   3.467   2.729
  199   1HG2  THR  26          1HG2      THR  26  -5.198  -0.053   0.976
  200   2HG2  THR  26          3HG2      THR  26  -6.235   0.122   2.391
  201   3HG2  THR  26          2HG2      THR  26  -6.887   0.411   0.777
  202    H    CYS  27           H        CYS  27  -3.947   3.479  -0.495
  203    HA   CYS  27           HA       CYS  27  -3.194   5.964   0.975
  204   1HB   CYS  27          2HB       CYS  27  -1.951   5.013  -1.621
  205   2HB   CYS  27          1HB       CYS  27  -1.553   6.495  -0.757
  206    H    PHE  28           H        PHE  28  -4.097   7.831   0.149
  207    HA   PHE  28           HA       PHE  28  -5.673   9.129  -0.984
  208   1HB   PHE  28          2HB       PHE  28  -4.943   7.375  -3.342
  209   2HB   PHE  28          1HB       PHE  28  -5.593   9.014  -3.394
  210    HD1  PHE  28           HD1      PHE  28  -4.217  10.843  -2.117
  211    HD2  PHE  28           HD2      PHE  28  -2.619   7.062  -3.375
  212    HE1  PHE  28           HE1      PHE  28  -1.919  11.761  -1.964
  213    HE2  PHE  28           HE2      PHE  28  -0.321   7.980  -3.224
  214    HZ   PHE  28           HZ       PHE  28   0.029  10.330  -2.518
  215    H    GLY  29           H        GLY  29  -6.661   6.723   0.363
  216   1HA   GLY  29          2HA       GLY  29  -8.972   6.066   0.541
  217   2HA   GLY  29          1HA       GLY  29  -9.190   6.473  -1.163
  218    NH1  ARG  30           NH1      ARG  30  -9.939   0.813   2.989
  219    NH2  ARG  30           NH2      ARG  30  -8.999   2.878   2.860
  220    H    ARG  30           H        ARG  30  -9.736   4.603  -2.186
  221    HA   ARG  30           HA       ARG  30  -8.316   2.114  -1.410
  222   1HB   ARG  30          2HB       ARG  30 -11.017   2.748  -2.227
  223   2HB   ARG  30          1HB       ARG  30 -10.336   1.465  -3.228
  224   1HG   ARG  30          2HG       ARG  30 -11.323   0.377  -1.338
  225   2HG   ARG  30          1HG       ARG  30  -9.581   0.350  -1.062
  226   1HD   ARG  30          2HD       ARG  30 -10.892   2.773  -0.036
  227   2HD   ARG  30          1HD       ARG  30 -11.450   1.289   0.737
  228    HE   ARG  30           HE       ARG  30  -8.526   1.575   0.521
  229   1HH1  ARG  30          2HH1      ARG  30 -10.279  -0.013   2.537
  230   2HH1  ARG  30          1HH1      ARG  30  -9.979   0.888   3.988
  231   1HH2  ARG  30          1HH2      ARG  30  -8.622   3.625   2.309
  232   2HH2  ARG  30          2HH2      ARG  30  -9.032   2.963   3.858
  233    HA   PRO  31           HA       PRO  31  -7.577   2.642  -6.143
  234   1HB   PRO  31          2HB       PRO  31  -6.206   4.969  -6.668
  235   2HB   PRO  31          1HB       PRO  31  -7.960   4.798  -6.853
  236   1HG   PRO  31          2HG       PRO  31  -6.421   6.179  -4.700
  237   2HG   PRO  31          1HG       PRO  31  -8.051   6.516  -5.307
  238   1HD   PRO  31          2HD       PRO  31  -7.457   5.153  -2.922
  239   2HD   PRO  31          1HD       PRO  31  -9.025   5.141  -3.755
  240    H    VAL  32           H        VAL  32  -5.340   4.325  -3.897
  241    HA   VAL  32           HA       VAL  32  -3.152   2.591  -4.933
  242    HB   VAL  32           HB       VAL  32  -2.912   4.941  -3.041
  243   1HG1  VAL  32          2HG1      VAL  32  -0.975   3.533  -4.902
  244   2HG1  VAL  32          1HG1      VAL  32  -0.594   4.972  -3.958
  245   3HG1  VAL  32          3HG1      VAL  32  -0.968   3.456  -3.140
  246   1HG2  VAL  32          3HG2      VAL  32  -3.525   4.873  -5.902
  247   2HG2  VAL  32          2HG2      VAL  32  -3.562   6.236  -4.784
  248   3HG2  VAL  32          1HG2      VAL  32  -2.046   5.766  -5.554
  249    H    LYS  33           H        LYS  33  -2.006   1.240  -3.446
  250    HA   LYS  33           HA       LYS  33  -3.287   1.028  -0.756
  251   1HB   LYS  33          2HB       LYS  33  -2.407  -1.231  -2.570
  252   2HB   LYS  33          1HB       LYS  33  -2.986  -1.432  -0.916
  253   1HG   LYS  33          2HG       LYS  33  -5.161  -1.070  -1.494
  254   2HG   LYS  33          1HG       LYS  33  -4.745   0.177  -2.669
  255   1HD   LYS  33          2HD       LYS  33  -3.723  -2.346  -3.588
  256   2HD   LYS  33          1HD       LYS  33  -5.432  -2.529  -3.185
  257   1HE   LYS  33          2HE       LYS  33  -5.455  -1.796  -5.433
  258   2HE   LYS  33          1HE       LYS  33  -5.781  -0.334  -4.504
  259   1HZ   LYS  33          3HZ       LYS  33  -3.058  -0.455  -4.634
  260   2HZ   LYS  33          2HZ       LYS  33  -3.551  -0.968  -6.177
  261   3HZ   LYS  33          1HZ       LYS  33  -4.060   0.538  -5.575
  262    H    CYS  34           H        CYS  34  -1.876   0.083   0.899
  263    HA   CYS  34           HA       CYS  34   0.938   0.895   0.496
  264   1HB   CYS  34          2HB       CYS  34  -0.711   0.090   2.898
  265   2HB   CYS  34          1HB       CYS  34   1.044   0.229   2.991
  266    H    CYS  35           H        CYS  35   1.313  -0.908  -1.033
  267    HA   CYS  35           HA       CYS  35   1.250  -3.614   0.157
  268   1HB   CYS  35          2HB       CYS  35   2.283  -2.928  -2.586
  269   2HB   CYS  35          1HB       CYS  35   1.538  -4.428  -2.032
  270    NH1  ARG  36           NH1      ARG  36   6.280  -5.004   6.806
  271    NH2  ARG  36           NH2      ARG  36   7.305  -6.895   6.072
  272    H    ARG  36           H        ARG  36   3.122  -4.833   0.529
  273    HA   ARG  36           HA       ARG  36   5.682  -3.286   0.433
  274   1HB   ARG  36          2HB       ARG  36   4.433  -4.420   2.632
  275   2HB   ARG  36          1HB       ARG  36   5.615  -5.646   2.172
  276   1HG   ARG  36          2HG       ARG  36   7.428  -4.083   2.326
  277   2HG   ARG  36          1HG       ARG  36   6.318  -2.719   2.475
  278   1HD   ARG  36          2HD       ARG  36   7.314  -3.427   4.664
  279   2HD   ARG  36          1HD       ARG  36   5.553  -3.504   4.640
  280    HE   ARG  36           HE       ARG  36   6.428  -6.059   3.871
  281   1HH1  ARG  36          2HH1      ARG  36   5.819  -4.137   6.613
  282   2HH1  ARG  36          1HH1      ARG  36   6.419  -5.293   7.754
  283   1HH2  ARG  36          1HH2      ARG  36   7.627  -7.471   5.316
  284   2HH2  ARG  36          2HH2      ARG  36   7.450  -7.191   7.017
  285    H    SER  37           H        SER  37   7.569  -4.480  -0.219
  286    HA   SER  37           HA       SER  37   6.920  -6.793  -1.962
  287   1HB   SER  37          2HB       SER  37   9.689  -5.851  -1.969
  288   2HB   SER  37          1HB       SER  37   8.565  -6.033  -3.312
  289    HG   SER  37           HG       SER  37   8.925  -3.869  -3.090
  290    CH2  TRP  38           CH2      TRP  38   9.865  -2.308   1.695
  291    H    TRP  38           HN       TRP  38   7.409  -6.653   1.145
  292    HA   TRP  38           HA       TRP  38   8.796  -9.211   1.277
  293   1HB   TRP  38          2HB       TRP  38  10.592  -8.446   2.774
  294   2HB   TRP  38          1HB       TRP  38  10.708  -7.622   1.220
  295    HD1  TRP  38           HD1      TRP  38   9.915  -7.036   4.881
  296    HE1  TRP  38           HE1      TRP  38   9.758  -4.501   5.317
  297    HE3  TRP  38           HE3      TRP  38  10.114  -5.303   0.086
  298    HZ2  TRP  38           HZ2      TRP  38   9.724  -2.059   3.829
  299    HZ3  TRP  38           HZ3      TRP  38  10.019  -2.871  -0.377
  300    HH2  TRP  38           HH2      TRP  38   9.824  -1.248   1.488
   
  Start of MODEL          11
 Raw file had  300 H/Q atoms
  Start of MODEL   11
    1   1H    ALA   1          2H        ALA   1   0.422  10.425   8.325
    2   2H    ALA   1          1H        ALA   1   2.120  10.352   8.334
    3   3H    ALA   1          3H        ALA   1   1.335  11.830   8.606
    4    HA   ALA   1           HA       ALA   1   1.863  12.121   6.428
    5   1HB   ALA   1          1HB       ALA   1   2.153   9.239   6.579
    6   2HB   ALA   1          3HB       ALA   1   1.314   9.703   5.098
    7   3HB   ALA   1          2HB       ALA   1   2.906  10.372   5.456
    8    HA   PRO   2           HA       PRO   2  -2.345  12.591   5.239
    9   1HB   PRO   2          2HB       PRO   2  -1.948  13.491   2.666
   10   2HB   PRO   2          1HB       PRO   2  -1.690  14.490   4.107
   11   1HG   PRO   2          2HG       PRO   2   0.331  13.221   2.319
   12   2HG   PRO   2          1HG       PRO   2   0.476  14.668   3.331
   13   1HD   PRO   2          2HD       PRO   2   1.500  12.102   3.954
   14   2HD   PRO   2          1HD       PRO   2   1.341  13.465   5.084
   15    H    LEU   3           H        LEU   3  -2.719  10.224   5.272
   16    HA   LEU   3           HA       LEU   3  -3.390   8.212   4.294
   17   1HB   LEU   3          2HB       LEU   3  -4.016  10.297   2.244
   18   2HB   LEU   3          1HB       LEU   3  -4.085   8.611   1.741
   19    HG   LEU   3           HG       LEU   3  -6.282   9.301   2.542
   20   1HD1  LEU   3          3HD1      LEU   3  -4.979   7.043   3.281
   21   2HD1  LEU   3          2HD1      LEU   3  -5.352   7.707   4.870
   22   3HD1  LEU   3          1HD1      LEU   3  -6.653   7.375   3.728
   23   1HD2  LEU   3          1HD2      LEU   3  -4.986  10.996   4.193
   24   2HD2  LEU   3          3HD2      LEU   3  -6.640  10.466   4.499
   25   3HD2  LEU   3          2HD2      LEU   3  -5.295   9.684   5.330
   26    H    SER   4           H        SER   4  -0.608   8.713   4.363
   27    HA   SER   4           HA       SER   4   0.250   7.247   1.909
   28   1HB   SER   4          2HB       SER   4   2.436   8.780   2.898
   29   2HB   SER   4          1HB       SER   4   1.614   8.946   1.350
   30    HG   SER   4           HG       SER   4   0.274  10.442   2.214
   31    H    CYS   5           H        CYS   5   2.031   5.778   2.289
   32    HA   CYS   5           HA       CYS   5   2.155   4.889   5.116
   33   1HB   CYS   5          2HB       CYS   5   2.430   3.606   2.467
   34   2HB   CYS   5          1HB       CYS   5   3.525   3.001   3.709
   35    H    GLY   6           H        GLY   6   3.671   7.247   4.481
   36   1HA   GLY   6          2HA       GLY   6   6.434   6.513   3.979
   37   2HA   GLY   6          1HA       GLY   6   5.878   8.073   4.595
   38    NH1  ARG   7           NH2      ARG   7   8.893   5.419   9.235
   39    NH2  ARG   7           NH1      ARG   7   9.915   7.240  10.145
   40    H    ARG   7           H        ARG   7   4.560   7.347   6.900
   41    HA   ARG   7           HA       ARG   7   6.796   6.723   8.666
   42   1HB   ARG   7          2HB       ARG   7   4.810   8.346   9.109
   43   2HB   ARG   7          1HB       ARG   7   3.907   6.889   9.521
   44   1HG   ARG   7          2HG       ARG   7   4.994   7.996  11.499
   45   2HG   ARG   7          1HG       ARG   7   5.492   6.322  11.260
   46   1HD   ARG   7          2HD       ARG   7   7.168   8.221   9.785
   47   2HD   ARG   7          1HD       ARG   7   7.208   8.481  11.528
   48    HE   ARG   7           HE       ARG   7   7.708   5.927  11.616
   49   1HH1  ARG   7          1HH2      ARG   7   8.110   4.791   9.198
   50   2HH1  ARG   7          2HH2      ARG   7   9.664   5.285   8.612
   51   1HH2  ARG   7          2HH1      ARG   7   9.913   7.998  10.801
   52   2HH2  ARG   7          1HH1      ARG   7  10.696   7.117   9.530
   53    H    ASN   8           H        ASN   8   3.869   5.100   7.519
   54    HA   ASN   8           HA       ASN   8   4.033   2.833   9.266
   55   1HB   ASN   8          2HB       ASN   8   2.924   2.902   6.443
   56   2HB   ASN   8          1HB       ASN   8   2.520   1.741   7.706
   57   1HD2  ASN   8          2HD2      ASN   8   0.111   3.837   9.198
   58   2HD2  ASN   8          1HD2      ASN   8   0.861   2.315   9.170
   59    H    GLY   9           H        GLY   9   5.744   3.719   6.345
   60   1HA   GLY   9          2HA       GLY   9   7.724   2.719   5.518
   61   2HA   GLY   9          1HA       GLY   9   7.543   1.440   6.723
   62    H    GLY  10           H        GLY  10   5.547   2.643   4.009
   63   1HA   GLY  10          2HA       GLY  10   5.657  -0.059   2.801
   64   2HA   GLY  10          1HA       GLY  10   4.066   0.558   3.251
   65    H    VAL  11           H        VAL  11   5.019  -0.006   0.539
   66    HA   VAL  11           HA       VAL  11   5.399   2.676  -0.637
   67    HB   VAL  11           HB       VAL  11   5.019   0.151  -2.228
   68   1HG1  VAL  11          3HG1      VAL  11   5.876   2.870  -2.693
   69   2HG1  VAL  11          2HG1      VAL  11   7.165   1.750  -3.130
   70   3HG1  VAL  11          1HG1      VAL  11   5.571   1.591  -3.866
   71   1HG2  VAL  11          2HG2      VAL  11   7.394   0.955  -0.547
   72   2HG2  VAL  11          1HG2      VAL  11   6.619  -0.623  -0.667
   73   3HG2  VAL  11          3HG2      VAL  11   7.600  -0.019  -2.001
   74    H    CYS  12           H        CYS  12   3.832   3.724  -1.864
   75    HA   CYS  12           HA       CYS  12   1.071   2.758  -1.498
   76   1HB   CYS  12          2HB       CYS  12   2.238   5.317  -2.625
   77   2HB   CYS  12          1HB       CYS  12   0.508   4.977  -2.592
   78    H    ILE  13           H        ILE  13   1.225   0.916  -2.975
   79    HA   ILE  13           HA       ILE  13   1.601   1.604  -5.837
   80    HB   ILE  13           HB       ILE  13   1.067  -1.118  -4.617
   81   1HG1  ILE  13          2HG1      ILE  13   3.691   0.309  -5.154
   82   2HG1  ILE  13          1HG1      ILE  13   3.076  -0.202  -3.582
   83   1HG2  ILE  13          2HG2      ILE  13   0.742  -0.765  -7.102
   84   2HG2  ILE  13          1HG2      ILE  13   2.456  -0.355  -7.197
   85   3HG2  ILE  13          3HG2      ILE  13   1.962  -1.968  -6.685
   86   1HD1  ILE  13          3HD1      ILE  13   3.256  -2.326  -5.645
   87   2HD1  ILE  13          2HD1      ILE  13   4.794  -1.693  -5.059
   88   3HD1  ILE  13          1HD1      ILE  13   3.637  -2.391  -3.926
   89    HA   PRO  14           HA       PRO  14  -2.782   1.802  -6.302
   90   1HB   PRO  14          2HB       PRO  14  -2.786   1.896  -9.051
   91   2HB   PRO  14          1HB       PRO  14  -2.397   3.286  -8.023
   92   1HG   PRO  14          2HG       PRO  14  -0.560   1.561  -9.624
   93   2HG   PRO  14          1HG       PRO  14  -0.367   3.252  -9.131
   94   1HD   PRO  14          2HD       PRO  14   0.889   1.031  -7.918
   95   2HD   PRO  14          1HD       PRO  14   0.777   2.666  -7.230
   96    H    ILE  15           H        ILE  15  -4.489   0.569  -7.653
   97    HA   ILE  15           HA       ILE  15  -5.477  -1.461  -8.235
   98    HB   ILE  15           HB       ILE  15  -2.684  -2.255  -9.112
   99   1HG1  ILE  15          2HG1      ILE  15  -3.473  -0.039 -10.028
  100   2HG1  ILE  15          1HG1      ILE  15  -3.211  -1.275 -11.257
  101   1HG2  ILE  15          1HG2      ILE  15  -5.066  -3.705  -9.033
  102   2HG2  ILE  15          3HG2      ILE  15  -4.974  -3.130 -10.698
  103   3HG2  ILE  15          2HG2      ILE  15  -3.654  -4.082 -10.020
  104   1HD1  ILE  15          1HD1      ILE  15  -5.928  -0.871 -10.011
  105   2HD1  ILE  15          3HD1      ILE  15  -5.403   0.093 -11.390
  106   3HD1  ILE  15          2HD1      ILE  15  -5.525  -1.660 -11.534
  107    NH1  ARG  16           NH1      ARG  16  -2.596  -8.633  -4.112
  108    NH2  ARG  16           NH2      ARG  16  -2.058 -10.137  -5.731
  109    H    ARG  16           H        ARG  16  -2.559  -3.317  -7.679
  110    HA   ARG  16           HA       ARG  16  -3.298  -3.830  -4.870
  111   1HB   ARG  16          2HB       ARG  16  -3.389  -6.298  -5.277
  112   2HB   ARG  16          1HB       ARG  16  -4.718  -5.426  -6.039
  113   1HG   ARG  16          2HG       ARG  16  -4.113  -6.265  -8.035
  114   2HG   ARG  16          1HG       ARG  16  -2.552  -5.456  -7.889
  115   1HD   ARG  16          2HD       ARG  16  -2.515  -8.015  -8.178
  116   2HD   ARG  16          1HD       ARG  16  -1.539  -7.341  -6.874
  117    HE   ARG  16           HE       ARG  16  -4.285  -8.319  -6.255
  118   1HH1  ARG  16          2HH1      ARG  16  -3.047  -7.783  -3.833
  119   2HH1  ARG  16          1HH1      ARG  16  -2.095  -9.174  -3.433
  120   1HH2  ARG  16          1HH2      ARG  16  -2.101 -10.434  -6.686
  121   2HH2  ARG  16          2HH2      ARG  16  -1.557 -10.689  -5.062
  122    H    CYS  17           H        CYS  17  -1.654  -5.470  -3.933
  123    HA   CYS  17           HA       CYS  17   1.007  -4.708  -4.991
  124   1HB   CYS  17          2HB       CYS  17   0.497  -6.257  -2.456
  125   2HB   CYS  17          1HB       CYS  17   1.866  -5.220  -2.853
  126    HA   PRO  18           HA       PRO  18   1.450  -8.770  -6.686
  127   1HB   PRO  18          2HB       PRO  18   4.081  -8.461  -7.428
  128   2HB   PRO  18          1HB       PRO  18   2.723  -7.780  -8.340
  129   1HG   PRO  18          2HG       PRO  18   4.677  -6.392  -6.563
  130   2HG   PRO  18          1HG       PRO  18   3.750  -5.749  -7.931
  131   1HD   PRO  18          2HD       PRO  18   3.143  -5.368  -5.192
  132   2HD   PRO  18          1HD       PRO  18   2.063  -5.023  -6.560
  133    H    VAL  19           H        VAL  19   2.158 -10.717  -5.787
  134    HA   VAL  19           HA       VAL  19   3.265 -10.734  -3.149
  135    HB   VAL  19           HB       VAL  19   3.506 -13.199  -3.525
  136   1HG1  VAL  19          1HG1      VAL  19   1.128 -11.598  -3.615
  137   2HG1  VAL  19          3HG1      VAL  19   0.888 -13.012  -4.640
  138   3HG1  VAL  19          2HG1      VAL  19   1.332 -13.216  -2.946
  139   1HG2  VAL  19          3HG2      VAL  19   3.887 -12.552  -6.140
  140   2HG2  VAL  19          2HG2      VAL  19   3.373 -14.152  -5.603
  141   3HG2  VAL  19          1HG2      VAL  19   2.177 -12.987  -6.172
  142    HA   PRO  20           HA       PRO  20   4.385 -12.338  -2.058
  143   1HB   PRO  20          2HB       PRO  20   6.434 -11.979  -0.266
  144   2HB   PRO  20          1HB       PRO  20   6.307 -13.379  -1.345
  145   1HG   PRO  20          2HG       PRO  20   8.139 -11.035  -1.524
  146   2HG   PRO  20          1HG       PRO  20   8.355 -12.677  -2.152
  147   1HD   PRO  20          2HD       PRO  20   7.594 -10.400  -3.663
  148   2HD   PRO  20          1HD       PRO  20   7.524 -12.090  -4.205
  149    H    MET  21           H        MET  21   5.234  -9.203  -2.843
  150    HA   MET  21           HA       MET  21   5.023  -7.878  -0.300
  151   1HB   MET  21          2HB       MET  21   5.878  -6.930  -2.548
  152   2HB   MET  21          1HB       MET  21   4.177  -6.673  -2.936
  153   1HG   MET  21          2HG       MET  21   3.882  -5.246  -1.014
  154   2HG   MET  21          1HG       MET  21   5.492  -5.640  -0.414
  155   1HE   MET  21          3HE       MET  21   7.522  -5.319  -1.494
  156   2HE   MET  21          2HE       MET  21   7.971  -3.884  -2.411
  157   3HE   MET  21          1HE       MET  21   7.396  -3.717  -0.754
  158    NH1  ARG  22           NH1      ARG  22   3.985  -7.264   4.639
  159    NH2  ARG  22           NH2      ARG  22   4.310  -9.110   5.923
  160    H    ARG  22           H        ARG  22   3.221  -8.015   0.954
  161    HA   ARG  22           HA       ARG  22   0.585  -8.353  -0.373
  162   1HB   ARG  22          2HB       ARG  22  -0.213  -9.208   1.666
  163   2HB   ARG  22          1HB       ARG  22   1.448  -9.798   1.614
  164   1HG   ARG  22          2HG       ARG  22   1.893  -7.439   2.819
  165   2HG   ARG  22          1HG       ARG  22   0.232  -7.706   3.352
  166   1HD   ARG  22          2HD       ARG  22   1.295  -8.877   5.017
  167   2HD   ARG  22          1HD       ARG  22   1.217 -10.166   3.817
  168    HE   ARG  22           HE       ARG  22   3.565  -9.820   3.349
  169   1HH1  ARG  22          2HH1      ARG  22   3.591  -6.832   3.826
  170   2HH1  ARG  22          1HH1      ARG  22   4.522  -6.714   5.284
  171   1HH2  ARG  22          1HH2      ARG  22   4.165 -10.087   6.087
  172   2HH2  ARG  22          2HH2      ARG  22   4.842  -8.570   6.577
  173    H    GLN  23           H        GLN  23  -1.238  -7.157   0.972
  174    HA   GLN  23           HA       GLN  23  -0.603  -4.302   0.786
  175   1HB   GLN  23          2HB       GLN  23  -3.028  -5.969   0.908
  176   2HB   GLN  23          1HB       GLN  23  -3.160  -4.451   1.796
  177   1HG   GLN  23          2HG       GLN  23  -3.403  -3.321  -0.132
  178   2HG   GLN  23          1HG       GLN  23  -1.853  -3.939  -0.704
  179   1HE2  GLN  23          2HE2      GLN  23  -5.294  -5.927  -1.783
  180   2HE2  GLN  23          1HE2      GLN  23  -5.296  -4.960  -0.387
  181    H    ILE  24           H        ILE  24  -0.519  -2.871   2.527
  182    HA   ILE  24           HA       ILE  24  -0.921  -3.992   5.258
  183    HB   ILE  24           HB       ILE  24   1.190  -2.855   5.982
  184   1HG1  ILE  24          2HG1      ILE  24   2.433  -2.759   3.380
  185   2HG1  ILE  24          1HG1      ILE  24   0.998  -1.737   3.388
  186   1HG2  ILE  24          1HG2      ILE  24   0.874  -5.323   4.802
  187   2HG2  ILE  24          3HG2      ILE  24   2.197  -4.632   3.862
  188   3HG2  ILE  24          2HG2      ILE  24   2.342  -4.778   5.613
  189   1HD1  ILE  24          3HD1      ILE  24   3.211  -1.638   5.456
  190   2HD1  ILE  24          2HD1      ILE  24   3.007  -0.492   4.134
  191   3HD1  ILE  24          1HD1      ILE  24   1.792  -0.594   5.408
  192    H    GLY  25           H        GLY  25  -2.519  -2.141   3.611
  193   1HA   GLY  25          2HA       GLY  25  -3.604  -0.333   5.211
  194   2HA   GLY  25          1HA       GLY  25  -2.053   0.470   4.949
  195    H    THR  26           H        THR  26  -3.604   2.150   3.995
  196    HA   THR  26           HA       THR  26  -3.976   1.527   1.103
  197    HB   THR  26           HB       THR  26  -6.009   3.094   1.272
  198    HG1  THR  26           HG1      THR  26  -5.466   3.813   3.403
  199   1HG2  THR  26          1HG2      THR  26  -6.087   0.600   1.000
  200   2HG2  THR  26          3HG2      THR  26  -6.152   0.456   2.757
  201   3HG2  THR  26          2HG2      THR  26  -7.465   1.251   1.887
  202    H    CYS  27           H        CYS  27  -4.036   3.565  -0.238
  203    HA   CYS  27           HA       CYS  27  -2.568   5.804   1.076
  204   1HB   CYS  27          2HB       CYS  27  -1.855   4.333  -1.459
  205   2HB   CYS  27          1HB       CYS  27  -1.311   5.985  -1.173
  206    H    PHE  28           H        PHE  28  -3.178   7.823   0.391
  207    HA   PHE  28           HA       PHE  28  -4.629   9.438  -0.486
  208   1HB   PHE  28          2HB       PHE  28  -4.526   7.782  -3.012
  209   2HB   PHE  28          1HB       PHE  28  -4.693   9.533  -2.863
  210    HD1  PHE  28           HD2      PHE  28  -2.719  10.561  -1.228
  211    HD2  PHE  28           HD1      PHE  28  -2.425   7.074  -3.719
  212    HE1  PHE  28           HE2      PHE  28  -0.253  10.801  -1.273
  213    HE2  PHE  28           HE1      PHE  28   0.042   7.312  -3.763
  214    HZ   PHE  28           HZ       PHE  28   1.128   9.176  -2.539
  215    H    GLY  29           H        GLY  29  -5.970   7.390   0.929
  216   1HA   GLY  29          2HA       GLY  29  -8.338   7.108   1.237
  217   2HA   GLY  29          1HA       GLY  29  -8.578   7.485  -0.472
  218    NH1  ARG  30           NH2      ARG  30  -8.758   3.232   2.971
  219    NH2  ARG  30           NH1      ARG  30 -10.112   1.632   3.851
  220    H    ARG  30           H        ARG  30  -9.554   5.656  -1.281
  221    HA   ARG  30           HA       ARG  30  -8.361   3.033  -0.554
  222   1HB   ARG  30          2HB       ARG  30 -10.965   3.467  -2.005
  223   2HB   ARG  30          1HB       ARG  30 -10.431   2.033  -1.131
  224   1HG   ARG  30          2HG       ARG  30 -10.356   4.355   0.602
  225   2HG   ARG  30          1HG       ARG  30 -11.960   4.163  -0.107
  226   1HD   ARG  30          2HD       ARG  30 -11.924   2.860   1.917
  227   2HD   ARG  30          1HD       ARG  30 -11.863   1.727   0.567
  228    HE   ARG  30           HE       ARG  30  -9.502   1.353   1.051
  229   1HH1  ARG  30          1HH2      ARG  30  -8.398   3.721   2.173
  230   2HH1  ARG  30          2HH2      ARG  30  -8.439   3.478   3.888
  231   1HH2  ARG  30          2HH1      ARG  30 -10.786   0.901   3.723
  232   2HH2  ARG  30          1HH1      ARG  30  -9.807   1.871   4.775
  233    HA   PRO  31           HA       PRO  31  -8.216   3.332  -5.364
  234   1HB   PRO  31          2HB       PRO  31  -6.594   5.409  -6.148
  235   2HB   PRO  31          1HB       PRO  31  -8.363   5.509  -6.094
  236   1HG   PRO  31          2HG       PRO  31  -6.357   6.674  -4.217
  237   2HG   PRO  31          1HG       PRO  31  -7.988   7.243  -4.616
  238   1HD   PRO  31          2HD       PRO  31  -7.278   5.842  -2.282
  239   2HD   PRO  31          1HD       PRO  31  -8.930   6.063  -2.896
  240    H    VAL  32           H        VAL  32  -5.463   4.683  -3.494
  241    HA   VAL  32           HA       VAL  32  -3.720   2.632  -4.767
  242    HB   VAL  32           HB       VAL  32  -2.913   4.957  -2.997
  243   1HG1  VAL  32          3HG1      VAL  32  -1.484   2.950  -4.717
  244   2HG1  VAL  32          2HG1      VAL  32  -0.777   4.546  -4.471
  245   3HG1  VAL  32          1HG1      VAL  32  -1.088   3.496  -3.088
  246   1HG2  VAL  32          1HG2      VAL  32  -3.691   4.812  -5.852
  247   2HG2  VAL  32          3HG2      VAL  32  -3.675   6.197  -4.760
  248   3HG2  VAL  32          2HG2      VAL  32  -2.179   5.663  -5.527
  249    H    LYS  33           H        LYS  33  -2.332   1.336  -3.314
  250    HA   LYS  33           HA       LYS  33  -3.450   1.154  -0.551
  251   1HB   LYS  33          2HB       LYS  33  -3.084  -0.976  -2.619
  252   2HB   LYS  33          1HB       LYS  33  -2.835  -1.398  -0.924
  253   1HG   LYS  33          2HG       LYS  33  -5.043  -1.175  -0.405
  254   2HG   LYS  33          1HG       LYS  33  -5.254   0.214  -1.472
  255   1HD   LYS  33          2HD       LYS  33  -4.681  -2.170  -3.016
  256   2HD   LYS  33          1HD       LYS  33  -6.075  -2.431  -1.967
  257   1HE   LYS  33          2HE       LYS  33  -7.065  -1.476  -3.864
  258   2HE   LYS  33          1HE       LYS  33  -6.835  -0.073  -2.821
  259   1HZ   LYS  33          2HZ       LYS  33  -4.490  -0.178  -4.096
  260   2HZ   LYS  33          1HZ       LYS  33  -5.526  -0.768  -5.305
  261   3HZ   LYS  33          3HZ       LYS  33  -5.810   0.757  -4.616
  262    H    CYS  34           H        CYS  34  -1.947   0.031   0.959
  263    HA   CYS  34           HA       CYS  34   0.826   0.912   0.433
  264   1HB   CYS  34          2HB       CYS  34  -0.641  -0.088   2.880
  265   2HB   CYS  34          1HB       CYS  34   1.110   0.111   2.862
  266    H    CYS  35           H        CYS  35   2.431  -0.542  -0.075
  267    HA   CYS  35           HA       CYS  35   1.732  -3.437   0.182
  268   1HB   CYS  35          2HB       CYS  35   3.503  -2.180  -1.929
  269   2HB   CYS  35          1HB       CYS  35   2.958  -3.856  -1.861
  270    NH1  ARG  36           NH1      ARG  36   5.458  -1.711   8.043
  271    NH2  ARG  36           NH2      ARG  36   5.645  -3.969   8.224
  272    H    ARG  36           H        ARG  36   3.192  -4.680   1.266
  273    HA   ARG  36           HA       ARG  36   5.979  -3.743   1.585
  274   1HB   ARG  36          2HB       ARG  36   4.031  -3.326   3.607
  275   2HB   ARG  36          1HB       ARG  36   5.035  -4.670   4.148
  276   1HG   ARG  36          2HG       ARG  36   6.953  -3.002   3.212
  277   2HG   ARG  36          1HG       ARG  36   5.752  -1.823   3.732
  278   1HD   ARG  36          2HD       ARG  36   7.012  -4.004   5.410
  279   2HD   ARG  36          1HD       ARG  36   7.203  -2.265   5.607
  280    HE   ARG  36           HE       ARG  36   4.425  -3.089   5.809
  281   1HH1  ARG  36          2HH1      ARG  36   5.334  -0.893   7.476
  282   2HH1  ARG  36          1HH1      ARG  36   5.572  -1.617   9.032
  283   1HH2  ARG  36          1HH2      ARG  36   5.663  -4.876   7.793
  284   2HH2  ARG  36          2HH2      ARG  36   5.763  -3.887   9.213
  285    H    SER  37           H        SER  37   7.396  -5.498   2.014
  286    HA   SER  37           HA       SER  37   6.209  -8.148   1.479
  287   1HB   SER  37          2HB       SER  37   9.059  -8.195   1.946
  288   2HB   SER  37          1HB       SER  37   8.178  -8.542   0.459
  289    HG   SER  37           HG       SER  37   9.461  -6.758   0.092
  290    CH2  TRP  38           CH2      TRP  38   9.527  -2.124   6.781
  291    H    TRP  38           HN       TRP  38   7.530  -6.312   4.129
  292    HA   TRP  38           HA       TRP  38   7.253  -8.733   5.861
  293   1HB   TRP  38          2HB       TRP  38   9.021  -7.493   7.311
  294   2HB   TRP  38          1HB       TRP  38   9.579  -8.346   5.872
  295    HD1  TRP  38           HD1      TRP  38  10.517  -6.937   3.884
  296    HE1  TRP  38           HE1      TRP  38  11.092  -4.442   3.597
  297    HE3  TRP  38           HE3      TRP  38   8.280  -5.031   8.059
  298    HZ2  TRP  38           HZ2      TRP  38  10.662  -1.963   4.958
  299    HZ3  TRP  38           HZ3      TRP  38   8.379  -2.602   8.539
  300    HH2  TRP  38           HH2      TRP  38   9.566  -1.067   6.996
   
  Start of MODEL          12
 Raw file had  300 H/Q atoms
  Start of MODEL   12
    1   1H    ALA   1          3H        ALA   1   3.027  14.415  -0.956
    2   2H    ALA   1          2H        ALA   1   2.352  12.890  -1.271
    3   3H    ALA   1          1H        ALA   1   1.373  14.281  -1.303
    4    HA   ALA   1           HA       ALA   1   1.435  14.547   0.994
    5   1HB   ALA   1          1HB       ALA   1   0.553  12.151  -0.136
    6   2HB   ALA   1          3HB       ALA   1   1.492  11.648   1.270
    7   3HB   ALA   1          2HB       ALA   1   0.139  12.760   1.467
    8    HA   PRO   2           HA       PRO   2   5.274  13.881   2.981
    9   1HB   PRO   2          2HB       PRO   2   4.416  14.018   5.590
   10   2HB   PRO   2          1HB       PRO   2   4.593  15.431   4.536
   11   1HG   PRO   2          2HG       PRO   2   2.105  14.062   5.433
   12   2HG   PRO   2          1HG       PRO   2   2.341  15.739   4.917
   13   1HD   PRO   2          2HD       PRO   2   1.222  13.653   3.356
   14   2HD   PRO   2          1HD       PRO   2   1.736  15.248   2.762
   15    H    LEU   3           H        LEU   3   6.129  11.840   2.834
   16    HA   LEU   3           HA       LEU   3   6.520   9.574   3.265
   17   1HB   LEU   3          2HB       LEU   3   5.264  10.340   5.914
   18   2HB   LEU   3          1HB       LEU   3   6.169   8.859   5.610
   19    HG   LEU   3           HG       LEU   3   7.330  11.613   5.142
   20   1HD1  LEU   3          3HD1      LEU   3   6.848  10.167   7.632
   21   2HD1  LEU   3          2HD1      LEU   3   8.562  10.496   7.381
   22   3HD1  LEU   3          1HD1      LEU   3   7.399  11.823   7.392
   23   1HD2  LEU   3          3HD2      LEU   3   8.227   8.807   4.879
   24   2HD2  LEU   3          2HD2      LEU   3   8.813  10.255   4.062
   25   3HD2  LEU   3          1HD2      LEU   3   9.373   9.874   5.691
   26    H    SER   4           H        SER   4   4.688   9.298   1.612
   27    HA   SER   4           HA       SER   4   2.052   8.609   2.510
   28   1HB   SER   4          2HB       SER   4   3.223   7.303   0.083
   29   2HB   SER   4          1HB       SER   4   1.628   8.011   0.310
   30    HG   SER   4           HG       SER   4   3.785   9.121  -0.751
   31    H    CYS   5           H        CYS   5   1.941   7.086   4.116
   32    HA   CYS   5           HA       CYS   5   2.033   4.975   5.122
   33   1HB   CYS   5          2HB       CYS   5   1.836   4.478   2.363
   34   2HB   CYS   5          1HB       CYS   5   3.155   3.451   2.925
   35    H    GLY   6           H        GLY   6   4.463   6.818   4.835
   36   1HA   GLY   6          2HA       GLY   6   6.783   5.103   4.658
   37   2HA   GLY   6          1HA       GLY   6   6.761   6.735   5.333
   38    NH1  ARG   7           NH1      ARG   7   2.591   8.279   7.169
   39    NH2  ARG   7           NH2      ARG   7   3.506  10.312   7.626
   40    H    ARG   7           H        ARG   7   4.895   6.436   7.375
   41    HA   ARG   7           HA       ARG   7   6.469   5.212   9.441
   42   1HB   ARG   7          2HB       ARG   7   3.680   6.333   9.283
   43   2HB   ARG   7          1HB       ARG   7   4.184   5.440  10.718
   44   1HG   ARG   7          2HG       ARG   7   4.871   7.541  11.362
   45   2HG   ARG   7          1HG       ARG   7   6.319   7.037  10.491
   46   1HD   ARG   7          2HD       ARG   7   5.513   9.321   9.835
   47   2HD   ARG   7          1HD       ARG   7   5.588   8.190   8.485
   48    HE   ARG   7           HE       ARG   7   2.975   8.462   9.858
   49   1HH1  ARG   7          2HH1      ARG   7   2.393   7.337   7.444
   50   2HH1  ARG   7          1HH1      ARG   7   2.294   8.610   6.271
   51   1HH2  ARG   7          1HH2      ARG   7   4.004  10.917   8.251
   52   2HH2  ARG   7          2HH2      ARG   7   3.210  10.653   6.731
   53    H    ASN   8           H        ASN   8   3.765   4.106   7.468
   54    HA   ASN   8           HA       ASN   8   3.255   1.704   8.987
   55   1HB   ASN   8          2HB       ASN   8   2.698   2.228   6.051
   56   2HB   ASN   8          1HB       ASN   8   1.930   1.007   7.066
   57   1HD2  ASN   8          2HD2      ASN   8  -0.445   3.254   8.379
   58   2HD2  ASN   8          1HD2      ASN   8   0.093   1.650   8.250
   59    H    GLY   9           H        GLY   9   5.528   2.595   6.470
   60   1HA   GLY   9          2HA       GLY   9   7.506   1.416   5.903
   61   2HA   GLY   9          1HA       GLY   9   6.946   0.060   6.885
   62    H    GLY  10           H        GLY  10   5.423   1.765   4.136
   63   1HA   GLY  10          2HA       GLY  10   5.710  -0.637   2.462
   64   2HA   GLY  10          1HA       GLY  10   4.056  -0.236   2.925
   65    H    VAL  11           H        VAL  11   5.056  -0.176   0.222
   66    HA   VAL  11           HA       VAL  11   5.332   2.714  -0.371
   67    HB   VAL  11           HB       VAL  11   5.703   1.950  -2.706
   68   1HG1  VAL  11          2HG1      VAL  11   7.398   1.737  -0.552
   69   2HG1  VAL  11          1HG1      VAL  11   7.489   0.119  -1.248
   70   3HG1  VAL  11          3HG1      VAL  11   7.884   1.527  -2.234
   71   1HG2  VAL  11          2HG2      VAL  11   4.470  -0.432  -1.680
   72   2HG2  VAL  11          1HG2      VAL  11   4.940  -0.072  -3.342
   73   3HG2  VAL  11          3HG2      VAL  11   6.090  -0.837  -2.247
   74    H    CYS  12           H        CYS  12   3.824   3.812  -1.723
   75    HA   CYS  12           HA       CYS  12   1.076   2.771  -1.488
   76   1HB   CYS  12          2HB       CYS  12   2.268   5.418  -2.329
   77   2HB   CYS  12          1HB       CYS  12   0.552   5.067  -2.526
   78    H    ILE  13           H        ILE  13   0.738   1.219  -3.066
   79    HA   ILE  13           HA       ILE  13   1.571   1.850  -5.850
   80    HB   ILE  13           HB       ILE  13   0.377  -0.730  -4.813
   81   1HG1  ILE  13          2HG1      ILE  13   3.283   0.128  -4.979
   82   2HG1  ILE  13          1HG1      ILE  13   2.388  -0.255  -3.508
   83   1HG2  ILE  13          3HG2      ILE  13   2.063  -0.025  -7.233
   84   2HG2  ILE  13          2HG2      ILE  13   1.565  -1.659  -6.793
   85   3HG2  ILE  13          1HG2      ILE  13   0.355  -0.460  -7.243
   86   1HD1  ILE  13          3HD1      ILE  13   2.524  -2.300  -5.696
   87   2HD1  ILE  13          2HD1      ILE  13   3.919  -2.083  -4.640
   88   3HD1  ILE  13          1HD1      ILE  13   2.357  -2.534  -3.957
   89    HA   PRO  14           HA       PRO  14  -2.716   2.920  -6.518
   90   1HB   PRO  14          2HB       PRO  14  -2.309   3.839  -9.074
   91   2HB   PRO  14          1HB       PRO  14  -1.945   4.791  -7.625
   92   1HG   PRO  14          2HG       PRO  14  -0.066   3.425  -9.489
   93   2HG   PRO  14          1HG       PRO  14   0.216   4.822  -8.438
   94   1HD   PRO  14          2HD       PRO  14   1.031   2.149  -7.927
   95   2HD   PRO  14          1HD       PRO  14   1.054   3.496  -6.768
   96    H    ILE  15           H        ILE  15  -1.654   0.141  -7.044
   97    HA   ILE  15           HA       ILE  15  -3.642  -0.600  -9.096
   98    HB   ILE  15           HB       ILE  15  -1.166  -2.148  -9.379
   99   1HG1  ILE  15          2HG1      ILE  15  -1.135   0.798 -10.117
  100   2HG1  ILE  15          1HG1      ILE  15  -0.145   0.049  -8.864
  101   1HG2  ILE  15          1HG2      ILE  15  -3.098  -2.230 -10.927
  102   2HG2  ILE  15          3HG2      ILE  15  -2.842  -0.532 -11.326
  103   3HG2  ILE  15          2HG2      ILE  15  -1.625  -1.733 -11.762
  104   1HD1  ILE  15          3HD1      ILE  15   0.315  -1.550 -11.086
  105   2HD1  ILE  15          2HD1      ILE  15   0.239   0.078 -11.760
  106   3HD1  ILE  15          1HD1      ILE  15   1.393  -0.294 -10.480
  107    NH1  ARG  16           NH2      ARG  16   0.550  -6.943  -9.329
  108    NH2  ARG  16           NH1      ARG  16   0.105  -9.167  -9.235
  109    H    ARG  16           H        ARG  16  -2.657  -3.386  -9.085
  110    HA   ARG  16           HA       ARG  16  -3.732  -4.115  -6.433
  111   1HB   ARG  16          2HB       ARG  16  -3.627  -6.468  -7.391
  112   2HB   ARG  16          1HB       ARG  16  -4.690  -5.357  -8.251
  113   1HG   ARG  16          2HG       ARG  16  -3.466  -5.502 -10.141
  114   2HG   ARG  16          1HG       ARG  16  -1.951  -5.262  -9.267
  115   1HD   ARG  16          2HD       ARG  16  -3.433  -7.891  -9.154
  116   2HD   ARG  16          1HD       ARG  16  -2.288  -7.536 -10.448
  117    HE   ARG  16           HE       ARG  16  -1.573  -7.705  -7.553
  118   1HH1  ARG  16          1HH2      ARG  16   0.267  -5.996  -9.171
  119   2HH1  ARG  16          2HH2      ARG  16   1.454  -7.136  -9.717
  120   1HH2  ARG  16          2HH1      ARG  16  -0.520  -9.916  -9.007
  121   2HH2  ARG  16          1HH1      ARG  16   1.007  -9.370  -9.619
  122    H    CYS  17           H        CYS  17  -2.544  -5.235  -4.879
  123    HA   CYS  17           HA       CYS  17   0.265  -4.775  -4.785
  124   1HB   CYS  17          2HB       CYS  17  -1.518  -5.357  -2.896
  125   2HB   CYS  17          1HB       CYS  17  -0.925  -6.995  -3.176
  126    HA   PRO  18           HA       PRO  18   1.470  -8.247  -7.285
  127   1HB   PRO  18          2HB       PRO  18   4.137  -7.592  -7.285
  128   2HB   PRO  18          1HB       PRO  18   2.942  -6.804  -8.328
  129   1HG   PRO  18          2HG       PRO  18   4.290  -5.745  -5.895
  130   2HG   PRO  18          1HG       PRO  18   3.578  -4.863  -7.255
  131   1HD   PRO  18          2HD       PRO  18   2.399  -5.244  -4.695
  132   2HD   PRO  18          1HD       PRO  18   1.597  -4.592  -6.141
  133    H    VAL  19           H        VAL  19   1.660 -10.248  -6.325
  134    HA   VAL  19           HA       VAL  19   2.707 -10.631  -3.679
  135    HB   VAL  19           HB       VAL  19   2.559 -13.050  -4.215
  136   1HG1  VAL  19          2HG1      VAL  19   0.467 -11.142  -4.231
  137   2HG1  VAL  19          1HG1      VAL  19   0.077 -12.318  -5.486
  138   3HG1  VAL  19          3HG1      VAL  19   0.352 -12.855  -3.828
  139   1HG2  VAL  19          2HG2      VAL  19   2.535 -11.938  -6.966
  140   2HG2  VAL  19          1HG2      VAL  19   3.131 -13.493  -6.385
  141   3HG2  VAL  19          3HG2      VAL  19   1.406 -13.261  -6.672
  142    HA   PRO  20           HA       PRO  20   3.557 -12.579  -2.825
  143   1HB   PRO  20          2HB       PRO  20   5.634 -12.869  -1.056
  144   2HB   PRO  20          1HB       PRO  20   5.272 -14.034  -2.341
  145   1HG   PRO  20          2HG       PRO  20   7.484 -12.045  -2.184
  146   2HG   PRO  20          1HG       PRO  20   7.406 -13.566  -3.088
  147   1HD   PRO  20          2HD       PRO  20   7.047 -10.955  -4.157
  148   2HD   PRO  20          1HD       PRO  20   6.715 -12.491  -4.988
  149    H    MET  21           H        MET  21   4.756  -9.531  -3.175
  150    HA   MET  21           HA       MET  21   5.014  -8.531  -0.521
  151   1HB   MET  21          2HB       MET  21   5.556  -7.310  -2.698
  152   2HB   MET  21          1HB       MET  21   3.824  -7.008  -2.852
  153   1HG   MET  21          2HG       MET  21   3.850  -5.409  -1.253
  154   2HG   MET  21          1HG       MET  21   4.864  -6.378  -0.189
  155   1HE   MET  21          1HE       MET  21   4.768  -5.104  -3.573
  156   2HE   MET  21          3HE       MET  21   5.938  -3.782  -3.692
  157   3HE   MET  21          2HE       MET  21   6.447  -5.445  -3.981
  158    NH1  ARG  22           NH2      ARG  22   4.671  -7.421   5.255
  159    NH2  ARG  22           NH1      ARG  22   5.436  -9.477   5.832
  160    H    ARG  22           H        ARG  22   3.473  -8.048   1.017
  161    HA   ARG  22           HA       ARG  22   0.652  -8.648   0.279
  162   1HB   ARG  22          2HB       ARG  22   0.263  -9.175   2.538
  163   2HB   ARG  22          1HB       ARG  22   1.896  -9.778   2.259
  164   1HG   ARG  22          2HG       ARG  22   2.662  -7.424   3.052
  165   2HG   ARG  22          1HG       ARG  22   1.034  -7.287   3.718
  166   1HD   ARG  22          2HD       ARG  22   2.140  -8.233   5.526
  167   2HD   ARG  22          1HD       ARG  22   1.584  -9.687   4.697
  168    HE   ARG  22           HE       ARG  22   3.861  -9.964   3.799
  169   1HH1  ARG  22          1HH2      ARG  22   4.015  -6.849   4.763
  170   2HH1  ARG  22          2HH2      ARG  22   5.398  -6.995   5.799
  171   1HH2  ARG  22          1HH1      ARG  22   6.163  -9.056   6.381
  172   2HH2  ARG  22          2HH1      ARG  22   5.366 -10.473   5.780
  173    H    GLN  23           H        GLN  23  -1.023  -7.269   1.356
  174    HA   GLN  23           HA       GLN  23  -0.352  -4.434   0.966
  175   1HB   GLN  23          2HB       GLN  23  -2.633  -5.955   0.553
  176   2HB   GLN  23          1HB       GLN  23  -3.020  -5.045   2.012
  177   1HG   GLN  23          2HG       GLN  23  -2.244  -2.961   0.799
  178   2HG   GLN  23          1HG       GLN  23  -2.164  -3.933  -0.671
  179   1HE2  GLN  23          2HE2      GLN  23  -5.803  -4.517  -0.585
  180   2HE2  GLN  23          1HE2      GLN  23  -4.389  -5.443  -0.729
  181    H    ILE  24           H        ILE  24  -0.634  -2.836   2.618
  182    HA   ILE  24           HA       ILE  24  -1.069  -3.783   5.387
  183    HB   ILE  24           HB       ILE  24   1.035  -2.576   6.115
  184   1HG1  ILE  24          2HG1      ILE  24   2.475  -2.879   3.658
  185   2HG1  ILE  24          1HG1      ILE  24   1.051  -1.891   3.335
  186   1HG2  ILE  24          1HG2      ILE  24   0.755  -5.113   5.683
  187   2HG2  ILE  24          3HG2      ILE  24   1.672  -4.824   4.205
  188   3HG2  ILE  24          2HG2      ILE  24   2.396  -4.478   5.774
  189   1HD1  ILE  24          3HD1      ILE  24   1.994  -0.927   5.774
  190   2HD1  ILE  24          2HD1      ILE  24   3.459  -1.220   4.835
  191   3HD1  ILE  24          1HD1      ILE  24   2.202  -0.157   4.202
  192    H    GLY  25           H        GLY  25  -2.740  -2.155   3.831
  193   1HA   GLY  25          2HA       GLY  25  -3.839  -0.198   5.066
  194   2HA   GLY  25          1HA       GLY  25  -2.250   0.568   4.963
  195    H    THR  26           H        THR  26  -3.865   2.173   3.809
  196    HA   THR  26           HA       THR  26  -3.603   1.614   0.902
  197    HB   THR  26           HB       THR  26  -5.883   2.672   0.592
  198    HG1  THR  26           HG1      THR  26  -6.035   3.628   2.640
  199   1HG2  THR  26          2HG2      THR  26  -5.226   0.094   0.893
  200   2HG2  THR  26          1HG2      THR  26  -6.278   0.256   2.298
  201   3HG2  THR  26          3HG2      THR  26  -6.900   0.606   0.685
  202    H    CYS  27           H        CYS  27  -3.880   3.710  -0.375
  203    HA   CYS  27           HA       CYS  27  -2.972   6.040   1.262
  204   1HB   CYS  27          2HB       CYS  27  -2.022   5.411  -1.541
  205   2HB   CYS  27          1HB       CYS  27  -1.394   6.643  -0.448
  206    H    PHE  28           H        PHE  28  -3.865   8.009   0.713
  207    HA   PHE  28           HA       PHE  28  -5.448   9.485  -0.171
  208   1HB   PHE  28          2HB       PHE  28  -5.239   7.994  -2.776
  209   2HB   PHE  28          1HB       PHE  28  -5.427   9.726  -2.504
  210    HD1  PHE  28           HD2      PHE  28  -3.454  10.775  -0.979
  211    HD2  PHE  28           HD1      PHE  28  -3.131   7.255  -3.419
  212    HE1  PHE  28           HE2      PHE  28  -0.992  11.049  -1.049
  213    HE2  PHE  28           HE1      PHE  28  -0.668   7.530  -3.490
  214    HZ   PHE  28           HZ       PHE  28   0.402   9.427  -2.304
  215    H    GLY  29           H        GLY  29  -6.475   7.088   1.089
  216   1HA   GLY  29          2HA       GLY  29  -8.802   6.525   1.390
  217   2HA   GLY  29          1HA       GLY  29  -9.107   7.014  -0.279
  218    NH1  ARG  30           NH1      ARG  30 -10.991   1.372   3.329
  219    NH2  ARG  30           NH2      ARG  30  -8.815   2.027   3.310
  220    H    ARG  30           H        ARG  30  -9.796   5.191  -1.333
  221    HA   ARG  30           HA       ARG  30  -8.327   2.664  -0.792
  222   1HB   ARG  30          2HB       ARG  30 -11.009   3.129  -0.749
  223   2HB   ARG  30          1HB       ARG  30 -10.795   2.542  -2.396
  224   1HG   ARG  30          2HG       ARG  30 -11.253   0.726  -0.706
  225   2HG   ARG  30          1HG       ARG  30  -9.762   0.507  -1.619
  226   1HD   ARG  30          2HD       ARG  30  -9.515   0.093   0.852
  227   2HD   ARG  30          1HD       ARG  30  -8.433   1.331   0.225
  228    HE   ARG  30           HE       ARG  30 -10.453   2.889   1.078
  229   1HH1  ARG  30          2HH1      ARG  30 -11.851   1.211   2.842
  230   2HH1  ARG  30          1HH1      ARG  30 -10.932   1.186   4.311
  231   1HH2  ARG  30          1HH2      ARG  30  -8.013   2.366   2.809
  232   2HH2  ARG  30          2HH2      ARG  30  -8.745   1.846   4.292
  233    HA   PRO  31           HA       PRO  31  -8.106   3.448  -5.527
  234   1HB   PRO  31          2HB       PRO  31  -6.546   5.657  -6.016
  235   2HB   PRO  31          1HB       PRO  31  -8.319   5.696  -5.997
  236   1HG   PRO  31          2HG       PRO  31  -6.395   6.698  -3.950
  237   2HG   PRO  31          1HG       PRO  31  -8.039   7.250  -4.311
  238   1HD   PRO  31          2HD       PRO  31  -7.304   5.597  -2.149
  239   2HD   PRO  31          1HD       PRO  31  -8.954   5.856  -2.749
  240    H    VAL  32           H        VAL  32  -5.498   4.663  -3.387
  241    HA   VAL  32           HA       VAL  32  -3.620   2.821  -4.792
  242    HB   VAL  32           HB       VAL  32  -3.136   5.208  -2.984
  243   1HG1  VAL  32          2HG1      VAL  32  -1.229   3.242  -4.268
  244   2HG1  VAL  32          1HG1      VAL  32  -0.724   4.826  -3.686
  245   3HG1  VAL  32          3HG1      VAL  32  -1.369   3.636  -2.556
  246   1HG2  VAL  32          2HG2      VAL  32  -3.879   5.393  -5.491
  247   2HG2  VAL  32          1HG2      VAL  32  -2.515   6.360  -4.929
  248   3HG2  VAL  32          3HG2      VAL  32  -2.228   4.872  -5.831
  249    H    LYS  33           H        LYS  33  -2.380   1.335  -3.501
  250    HA   LYS  33           HA       LYS  33  -3.456   0.977  -0.735
  251   1HB   LYS  33          2HB       LYS  33  -2.782  -1.105  -2.824
  252   2HB   LYS  33          1HB       LYS  33  -3.060  -1.491  -1.125
  253   1HG   LYS  33          2HG       LYS  33  -5.302  -1.249  -1.324
  254   2HG   LYS  33          1HG       LYS  33  -5.139   0.241  -2.252
  255   1HD   LYS  33          2HD       LYS  33  -4.223  -1.916  -3.886
  256   2HD   LYS  33          1HD       LYS  33  -5.789  -2.369  -3.212
  257   1HE   LYS  33          2HE       LYS  33  -6.513  -1.168  -5.048
  258   2HE   LYS  33          1HE       LYS  33  -6.391   0.146  -3.877
  259   1HZ   LYS  33          2HZ       LYS  33  -3.868  -0.111  -4.910
  260   2HZ   LYS  33          1HZ       LYS  33  -4.887  -0.300  -6.256
  261   3HZ   LYS  33          3HZ       LYS  33  -5.000   1.096  -5.299
  262    H    CYS  34           H        CYS  34  -1.945   0.084   0.806
  263    HA   CYS  34           HA       CYS  34   0.847   0.845   0.207
  264   1HB   CYS  34          2HB       CYS  34  -0.575   0.001   2.748
  265   2HB   CYS  34          1HB       CYS  34   1.161   0.302   2.669
  266    H    CYS  35           H        CYS  35   2.483  -0.680  -0.039
  267    HA   CYS  35           HA       CYS  35   1.759  -3.523   0.500
  268   1HB   CYS  35          2HB       CYS  35   2.796  -2.304  -2.052
  269   2HB   CYS  35          1HB       CYS  35   3.088  -4.000  -1.676
  270    NH1  ARG  36           NH1      ARG  36   6.456  -4.588   8.161
  271    NH2  ARG  36           NH2      ARG  36   5.550  -2.514   8.339
  272    H    ARG  36           H        ARG  36   3.371  -4.647   1.490
  273    HA   ARG  36           HA       ARG  36   6.165  -3.710   1.251
  274   1HB   ARG  36          2HB       ARG  36   6.533  -3.369   3.539
  275   2HB   ARG  36          1HB       ARG  36   4.928  -2.673   3.320
  276   1HG   ARG  36          2HG       ARG  36   4.034  -5.013   3.921
  277   2HG   ARG  36          1HG       ARG  36   5.663  -5.337   4.511
  278   1HD   ARG  36          2HD       ARG  36   4.041  -2.942   5.394
  279   2HD   ARG  36          1HD       ARG  36   4.044  -4.475   6.265
  280    HE   ARG  36           HE       ARG  36   6.647  -3.127   5.769
  281   1HH1  ARG  36          2HH1      ARG  36   6.766  -5.353   7.591
  282   2HH1  ARG  36          1HH1      ARG  36   6.525  -4.651   9.157
  283   1HH2  ARG  36          1HH2      ARG  36   5.170  -1.692   7.905
  284   2HH2  ARG  36          2HH2      ARG  36   5.612  -2.566   9.336
  285    H    SER  37           H        SER  37   7.628  -5.441   1.471
  286    HA   SER  37           HA       SER  37   6.373  -8.103   1.352
  287   1HB   SER  37          2HB       SER  37   9.225  -8.222   1.185
  288   2HB   SER  37          1HB       SER  37   8.042  -8.478  -0.095
  289    HG   SER  37           HG       SER  37   9.180  -6.736  -0.750
  290    CH2  TRP  38           CH2      TRP  38   9.465  -1.817   5.991
  291    H    TRP  38           HN       TRP  38   8.546  -6.305   3.490
  292    HA   TRP  38           HA       TRP  38   8.741  -8.719   5.227
  293   1HB   TRP  38          2HB       TRP  38  10.428  -7.179   6.478
  294   2HB   TRP  38          1HB       TRP  38  10.911  -7.868   4.929
  295    HD1  TRP  38           HD1      TRP  38  11.513  -6.246   3.039
  296    HE1  TRP  38           HE1      TRP  38  11.464  -3.685   2.755
  297    HE3  TRP  38           HE3      TRP  38   8.990  -4.938   7.278
  298    HZ2  TRP  38           HZ2      TRP  38  10.483  -1.384   4.144
  299    HZ3  TRP  38           HZ3      TRP  38   8.509  -2.560   7.770
  300    HH2  TRP  38           HH2      TRP  38   9.254  -0.782   6.212
   
  Start of MODEL          13
 Raw file had  300 H/Q atoms
  Start of MODEL   13
    1   1H    ALA   1          3H        ALA   1  -4.306   5.418   3.490
    2   2H    ALA   1          2H        ALA   1  -4.504   4.445   4.869
    3   3H    ALA   1          1H        ALA   1  -5.577   4.299   3.562
    4    HA   ALA   1           HA       ALA   1  -6.857   5.947   4.259
    5   1HB   ALA   1          2HB       ALA   1  -5.527   4.843   6.497
    6   2HB   ALA   1          1HB       ALA   1  -5.576   6.587   6.765
    7   3HB   ALA   1          3HB       ALA   1  -7.072   5.696   6.482
    8    HA   PRO   2           HA       PRO   2  -4.059   9.719   4.986
    9   1HB   PRO   2          2HB       PRO   2  -1.360   9.311   5.318
   10   2HB   PRO   2          1HB       PRO   2  -2.516   9.350   6.660
   11   1HG   PRO   2          2HG       PRO   2  -1.144   7.006   5.431
   12   2HG   PRO   2          1HG       PRO   2  -1.771   7.203   7.076
   13   1HD   PRO   2          2HD       PRO   2  -3.025   5.769   4.989
   14   2HD   PRO   2          1HD       PRO   2  -3.782   6.259   6.519
   15    H    LEU   3           H        LEU   3  -2.137  10.843   3.657
   16    HA   LEU   3           HA       LEU   3  -2.493  10.072   0.893
   17   1HB   LEU   3          2HB       LEU   3  -0.464  11.984   2.092
   18   2HB   LEU   3          1HB       LEU   3  -0.938  11.896   0.396
   19    HG   LEU   3           HG       LEU   3  -2.791  12.567   2.702
   20   1HD1  LEU   3          1HD1      LEU   3  -1.112  14.177   0.875
   21   2HD1  LEU   3          3HD1      LEU   3  -2.783  14.715   1.016
   22   3HD1  LEU   3          2HD1      LEU   3  -1.772  14.593   2.456
   23   1HD2  LEU   3          3HD2      LEU   3  -3.183  12.229  -0.275
   24   2HD2  LEU   3          2HD2      LEU   3  -4.114  11.510   1.040
   25   3HD2  LEU   3          1HD2      LEU   3  -4.276  13.230   0.684
   26    H    SER   4           H        SER   4   0.530  10.329   2.797
   27    HA   SER   4           HA       SER   4   1.741   8.286   1.030
   28   1HB   SER   4          2HB       SER   4   3.493   9.111   3.139
   29   2HB   SER   4          1HB       SER   4   3.614   9.476   1.419
   30    HG   SER   4           HG       SER   4   3.198  11.440   2.063
   31    H    CYS   5           H        CYS   5   2.894   6.438   2.094
   32    HA   CYS   5           HA       CYS   5   1.336   5.524   4.464
   33   1HB   CYS   5          2HB       CYS   5   1.788   4.249   2.079
   34   2HB   CYS   5          1HB       CYS   5   3.065   3.573   3.088
   35    H    GLY   6           H        GLY   6   3.380   7.335   5.030
   36   1HA   GLY   6          2HA       GLY   6   5.859   5.951   5.655
   37   2HA   GLY   6          1HA       GLY   6   5.408   7.564   6.213
   38    NH1  ARG   7           NH2      ARG   7   2.054   3.019  12.345
   39    NH2  ARG   7           NH1      ARG   7  -0.067   2.996  13.159
   40    H    ARG   7           H        ARG   7   2.895   6.759   7.421
   41    HA   ARG   7           HA       ARG   7   3.816   6.029  10.032
   42   1HB   ARG   7          2HB       ARG   7   1.539   7.147   9.108
   43   2HB   ARG   7          1HB       ARG   7   0.976   5.489   9.313
   44   1HG   ARG   7          2HG       ARG   7   2.476   6.044  11.626
   45   2HG   ARG   7          1HG       ARG   7   1.515   7.494  11.337
   46   1HD   ARG   7          2HD       ARG   7   0.289   5.857  12.734
   47   2HD   ARG   7          1HD       ARG   7  -0.528   6.137  11.196
   48    HE   ARG   7           HE       ARG   7   0.214   3.939  10.455
   49   1HH1  ARG   7          1HH2      ARG   7   2.722   3.354  11.676
   50   2HH1  ARG   7          2HH2      ARG   7   2.341   2.375  13.057
   51   1HH2  ARG   7          2HH1      ARG   7  -1.018   3.313  13.115
   52   2HH2  ARG   7          1HH1      ARG   7   0.209   2.353  13.874
   53    H    ASN   8           H        ASN   8   2.174   4.157   7.482
   54    HA   ASN   8           HA       ASN   8   2.264   1.702   9.069
   55   1HB   ASN   8          2HB       ASN   8   1.542   2.281   6.187
   56   2HB   ASN   8          1HB       ASN   8   1.519   0.657   6.873
   57   1HD2  ASN   8          2HD2      ASN   8  -1.728   1.165   8.115
   58   2HD2  ASN   8          1HD2      ASN   8  -0.602   0.114   7.400
   59    H    GLY   9           H        GLY   9   4.291   3.314   6.732
   60   1HA   GLY   9          2HA       GLY   9   6.506   2.804   6.127
   61   2HA   GLY   9          1HA       GLY   9   6.441   1.420   7.221
   62    H    GLY  10           H        GLY  10   4.863   2.453   4.175
   63   1HA   GLY  10          2HA       GLY  10   5.678  -0.089   2.930
   64   2HA   GLY  10          1HA       GLY  10   3.940   0.155   3.104
   65    H    VAL  11           H        VAL  11   4.939  -0.075   0.560
   66    HA   VAL  11           HA       VAL  11   5.372   2.657  -0.486
   67    HB   VAL  11           HB       VAL  11   5.031   0.242  -2.236
   68   1HG1  VAL  11          1HG1      VAL  11   6.505   2.858  -2.274
   69   2HG1  VAL  11          3HG1      VAL  11   7.096   1.518  -3.258
   70   3HG1  VAL  11          2HG1      VAL  11   5.467   2.145  -3.510
   71   1HG2  VAL  11          3HG2      VAL  11   7.113   0.661  -0.161
   72   2HG2  VAL  11          2HG2      VAL  11   6.573  -0.834  -0.927
   73   3HG2  VAL  11          1HG2      VAL  11   7.710   0.225  -1.763
   74    H    CYS  12           H        CYS  12   3.855   3.731  -1.784
   75    HA   CYS  12           HA       CYS  12   1.078   2.812  -1.474
   76   1HB   CYS  12          2HB       CYS  12   2.259   5.311  -2.723
   77   2HB   CYS  12          1HB       CYS  12   0.531   5.004  -2.547
   78    H    ILE  13           H        ILE  13   1.218   0.933  -2.894
   79    HA   ILE  13           HA       ILE  13   1.641   1.521  -5.770
   80    HB   ILE  13           HB       ILE  13   0.993  -1.160  -4.534
   81   1HG1  ILE  13          2HG1      ILE  13   3.663   0.250  -4.797
   82   2HG1  ILE  13          1HG1      ILE  13   2.918  -0.363  -3.320
   83   1HG2  ILE  13          3HG2      ILE  13   1.034  -0.553  -7.111
   84   2HG2  ILE  13          2HG2      ILE  13   2.779  -0.678  -6.891
   85   3HG2  ILE  13          1HG2      ILE  13   1.744  -2.062  -6.537
   86   1HD1  ILE  13          2HD1      ILE  13   2.956  -2.666  -4.522
   87   2HD1  ILE  13          1HD1      ILE  13   4.137  -1.914  -5.594
   88   3HD1  ILE  13          3HD1      ILE  13   4.470  -2.042  -3.867
   89    HA   PRO  14           HA       PRO  14  -2.766   1.825  -6.150
   90   1HB   PRO  14          2HB       PRO  14  -2.762   2.214  -8.873
   91   2HB   PRO  14          1HB       PRO  14  -2.390   3.489  -7.700
   92   1HG   PRO  14          2HG       PRO  14  -0.533   1.968  -9.472
   93   2HG   PRO  14          1HG       PRO  14  -0.356   3.595  -8.793
   94   1HD   PRO  14          2HD       PRO  14   0.912   1.257  -7.830
   95   2HD   PRO  14          1HD       PRO  14   0.796   2.809  -6.972
   96    H    ILE  15           H        ILE  15  -4.399   0.800  -7.851
   97    HA   ILE  15           HA       ILE  15  -5.362  -1.148  -8.690
   98    HB   ILE  15           HB       ILE  15  -2.515  -1.977  -9.325
   99   1HG1  ILE  15          2HG1      ILE  15  -4.439  -0.156 -10.796
  100   2HG1  ILE  15          1HG1      ILE  15  -2.828   0.250 -10.203
  101   1HG2  ILE  15          1HG2      ILE  15  -4.740  -3.465  -9.577
  102   2HG2  ILE  15          3HG2      ILE  15  -4.864  -2.538 -11.073
  103   3HG2  ILE  15          2HG2      ILE  15  -3.435  -3.524 -10.762
  104   1HD1  ILE  15          3HD1      ILE  15  -2.110  -1.793 -11.732
  105   2HD1  ILE  15          2HD1      ILE  15  -3.614  -1.409 -12.569
  106   3HD1  ILE  15          1HD1      ILE  15  -2.346  -0.190 -12.429
  107    NH1  ARG  16           NH1      ARG  16  -0.071  -5.828  -8.844
  108    NH2  ARG  16           NH2      ARG  16  -0.257  -7.931  -9.685
  109    H    ARG  16           H        ARG  16  -2.614  -3.189  -8.030
  110    HA   ARG  16           HA       ARG  16  -3.672  -3.888  -5.356
  111   1HB   ARG  16          2HB       ARG  16  -3.560  -6.359  -6.096
  112   2HB   ARG  16          1HB       ARG  16  -4.946  -5.418  -6.645
  113   1HG   ARG  16          2HG       ARG  16  -4.369  -5.705  -8.803
  114   2HG   ARG  16          1HG       ARG  16  -2.730  -5.136  -8.493
  115   1HD   ARG  16          2HD       ARG  16  -3.535  -7.901  -7.631
  116   2HD   ARG  16          1HD       ARG  16  -3.094  -7.600  -9.312
  117    HE   ARG  16           HE       ARG  16  -1.268  -7.538  -7.006
  118   1HH1  ARG  16          2HH1      ARG  16  -0.353  -5.131  -8.179
  119   2HH1  ARG  16          1HH1      ARG  16   0.627  -5.610  -9.529
  120   1HH2  ARG  16          1HH2      ARG  16  -0.679  -8.839  -9.663
  121   2HH2  ARG  16          2HH2      ARG  16   0.441  -7.723 -10.372
  122    H    CYS  17           H        CYS  17  -2.154  -5.345  -4.199
  123    HA   CYS  17           HA       CYS  17   0.605  -4.593  -4.765
  124   1HB   CYS  17          2HB       CYS  17  -0.517  -6.499  -2.689
  125   2HB   CYS  17          1HB       CYS  17   1.124  -5.852  -2.716
  126    HA   PRO  18           HA       PRO  18   1.370  -8.237  -7.180
  127   1HB   PRO  18          2HB       PRO  18   4.035  -7.704  -7.596
  128   2HB   PRO  18          1HB       PRO  18   2.732  -6.904  -8.491
  129   1HG   PRO  18          2HG       PRO  18   4.456  -5.816  -6.318
  130   2HG   PRO  18          1HG       PRO  18   3.606  -4.955  -7.612
  131   1HD   PRO  18          2HD       PRO  18   2.771  -5.154  -4.906
  132   2HD   PRO  18          1HD       PRO  18   1.796  -4.552  -6.265
  133    H    VAL  19           H        VAL  19   1.625 -10.206  -6.157
  134    HA   VAL  19           HA       VAL  19   2.845 -10.573  -3.631
  135    HB   VAL  19           HB       VAL  19   2.894 -13.018  -4.268
  136   1HG1  VAL  19          3HG1      VAL  19   0.783 -11.407  -3.641
  137   2HG1  VAL  19          2HG1      VAL  19   0.229 -12.094  -5.169
  138   3HG1  VAL  19          1HG1      VAL  19   0.659 -13.157  -3.829
  139   1HG2  VAL  19          3HG2      VAL  19   3.134 -12.111  -6.823
  140   2HG2  VAL  19          2HG2      VAL  19   2.528 -13.717  -6.418
  141   3HG2  VAL  19          1HG2      VAL  19   1.397 -12.408  -6.758
  142    HA   PRO  20           HA       PRO  20   3.826 -12.259  -2.647
  143   1HB   PRO  20          2HB       PRO  20   5.939 -12.209  -0.898
  144   2HB   PRO  20          1HB       PRO  20   5.649 -13.530  -2.043
  145   1HG   PRO  20          2HG       PRO  20   7.710 -11.381  -2.144
  146   2HG   PRO  20          1HG       PRO  20   7.737 -12.996  -2.874
  147   1HD   PRO  20          2HD       PRO  20   7.177 -10.553  -4.218
  148   2HD   PRO  20          1HD       PRO  20   6.943 -12.190  -4.866
  149    H    MET  21           H        MET  21   4.726  -9.196  -3.360
  150    HA   MET  21           HA       MET  21   5.008  -7.879  -0.849
  151   1HB   MET  21          2HB       MET  21   5.269  -6.957  -3.278
  152   2HB   MET  21          1HB       MET  21   3.534  -6.660  -3.181
  153   1HG   MET  21          2HG       MET  21   4.277  -4.657  -2.330
  154   2HG   MET  21          1HG       MET  21   4.256  -5.588  -0.831
  155   1HE   MET  21          2HE       MET  21   5.734  -3.757  -3.344
  156   2HE   MET  21          1HE       MET  21   6.914  -2.992  -2.281
  157   3HE   MET  21          3HE       MET  21   7.445  -4.134  -3.524
  158    NH1  ARG  22           NH2      ARG  22   4.660 -10.194   3.160
  159    NH2  ARG  22           NH1      ARG  22   4.645 -10.227   5.432
  160    H    ARG  22           H        ARG  22   3.538  -7.880   0.790
  161    HA   ARG  22           HA       ARG  22   0.725  -8.559   0.211
  162   1HB   ARG  22          2HB       ARG  22   0.494  -8.934   2.539
  163   2HB   ARG  22          1HB       ARG  22   2.128  -9.483   2.170
  164   1HG   ARG  22          2HG       ARG  22   2.949  -7.176   2.816
  165   2HG   ARG  22          1HG       ARG  22   1.319  -6.832   3.392
  166   1HD   ARG  22          2HD       ARG  22   3.178  -7.792   5.034
  167   2HD   ARG  22          1HD       ARG  22   1.492  -8.284   5.182
  168    HE   ARG  22           HE       ARG  22   2.068 -10.401   4.131
  169   1HH1  ARG  22          1HH2      ARG  22   4.181 -10.052   2.292
  170   2HH1  ARG  22          2HH2      ARG  22   5.632 -10.439   3.157
  171   1HH2  ARG  22          2HH1      ARG  22   4.155 -10.105   6.297
  172   2HH2  ARG  22          1HH1      ARG  22   5.613 -10.481   5.441
  173    H    GLN  23           H        GLN  23  -0.903  -7.233   1.662
  174    HA   GLN  23           HA       GLN  23  -0.378  -4.348   1.099
  175   1HB   GLN  23          2HB       GLN  23  -2.416  -5.596   0.096
  176   2HB   GLN  23          1HB       GLN  23  -3.072  -5.560   1.732
  177   1HG   GLN  23          2HG       GLN  23  -2.229  -2.962   1.397
  178   2HG   GLN  23          1HG       GLN  23  -2.795  -3.380  -0.221
  179   1HE2  GLN  23          2HE2      GLN  23  -5.516  -3.511   2.869
  180   2HE2  GLN  23          1HE2      GLN  23  -3.874  -3.779   3.209
  181    H    ILE  24           H        ILE  24  -0.257  -2.955   2.824
  182    HA   ILE  24           HA       ILE  24  -1.022  -4.054   5.501
  183    HB   ILE  24           HB       ILE  24   0.822  -2.847   6.475
  184   1HG1  ILE  24          2HG1      ILE  24   1.139  -1.686   3.693
  185   2HG1  ILE  24          1HG1      ILE  24   0.778  -0.810   5.180
  186   1HG2  ILE  24          1HG2      ILE  24   1.138  -5.002   4.878
  187   2HG2  ILE  24          3HG2      ILE  24   2.190  -3.865   4.035
  188   3HG2  ILE  24          2HG2      ILE  24   2.484  -4.247   5.732
  189   1HD1  ILE  24          3HD1      ILE  24   3.093  -2.148   5.840
  190   2HD1  ILE  24          2HD1      ILE  24   3.362  -1.746   4.143
  191   3HD1  ILE  24          1HD1      ILE  24   3.015  -0.468   5.309
  192    H    GLY  25           H        GLY  25  -1.946  -1.801   3.229
  193   1HA   GLY  25          2HA       GLY  25  -3.829  -0.498   4.828
  194   2HA   GLY  25          1HA       GLY  25  -2.381   0.508   4.910
  195    H    THR  26           H        THR  26  -3.676   2.155   3.759
  196    HA   THR  26           HA       THR  26  -3.587   1.676   0.826
  197    HB   THR  26           HB       THR  26  -5.760   2.996   0.679
  198    HG1  THR  26           HG1      THR  26  -6.967   3.108   2.550
  199   1HG2  THR  26          2HG2      THR  26  -5.281   0.234   1.330
  200   2HG2  THR  26          1HG2      THR  26  -6.810   0.746   2.043
  201   3HG2  THR  26          3HG2      THR  26  -6.542   0.924   0.308
  202    H    CYS  27           H        CYS  27  -3.668   3.801  -0.389
  203    HA   CYS  27           HA       CYS  27  -2.511   6.020   1.251
  204   1HB   CYS  27          2HB       CYS  27  -1.629   4.996  -1.458
  205   2HB   CYS  27          1HB       CYS  27  -1.137   6.560  -0.815
  206    H    PHE  28           H        PHE  28  -3.102   8.121   0.581
  207    HA   PHE  28           HA       PHE  28  -4.587   9.728  -0.265
  208   1HB   PHE  28          2HB       PHE  28  -4.646   7.957  -2.723
  209   2HB   PHE  28          1HB       PHE  28  -4.949   9.693  -2.646
  210    HD1  PHE  28           HD1      PHE  28  -3.050  11.226  -1.877
  211    HD2  PHE  28           HD2      PHE  28  -2.451   7.124  -3.005
  212    HE1  PHE  28           HE1      PHE  28  -0.631  11.666  -2.196
  213    HE2  PHE  28           HE2      PHE  28  -0.032   7.564  -3.324
  214    HZ   PHE  28           HZ       PHE  28   0.878   9.836  -2.920
  215    H    GLY  29           H        GLY  29  -5.752   7.695   1.317
  216   1HA   GLY  29          2HA       GLY  29  -8.082   7.364   1.844
  217   2HA   GLY  29          1HA       GLY  29  -8.478   7.681   0.151
  218    NH1  ARG  30           NH2      ARG  30 -12.238   0.185   0.157
  219    NH2  ARG  30           NH1      ARG  30 -14.123   1.023   1.115
  220    H    ARG  30           H        ARG  30  -9.357   5.800  -0.641
  221    HA   ARG  30           HA       ARG  30  -7.915   3.278   0.024
  222   1HB   ARG  30          2HB       ARG  30 -10.727   3.407  -1.023
  223   2HB   ARG  30          1HB       ARG  30  -9.944   2.116  -0.110
  224   1HG   ARG  30          2HG       ARG  30  -9.714   3.800   1.805
  225   2HG   ARG  30          1HG       ARG  30 -10.834   4.824   0.902
  226   1HD   ARG  30          2HD       ARG  30 -11.325   2.204   2.256
  227   2HD   ARG  30          1HD       ARG  30 -12.345   3.642   2.192
  228    HE   ARG  30           HE       ARG  30 -12.584   2.925  -0.340
  229   1HH1  ARG  30          1HH2      ARG  30 -11.333   0.335  -0.246
  230   2HH1  ARG  30          2HH2      ARG  30 -12.604  -0.743   0.231
  231   1HH2  ARG  30          2HH1      ARG  30 -14.651   1.811   1.441
  232   2HH2  ARG  30          1HH1      ARG  30 -14.502   0.100   1.197
  233    HA   PRO  31           HA       PRO  31  -8.408   3.561  -4.750
  234   1HB   PRO  31          2HB       PRO  31  -6.804   5.587  -5.687
  235   2HB   PRO  31          1HB       PRO  31  -8.544   5.772  -5.405
  236   1HG   PRO  31          2HG       PRO  31  -6.259   6.797  -3.786
  237   2HG   PRO  31          1HG       PRO  31  -7.903   7.440  -3.942
  238   1HD   PRO  31          2HD       PRO  31  -6.928   5.925  -1.766
  239   2HD   PRO  31          1HD       PRO  31  -8.633   6.274  -2.122
  240    H    VAL  32           H        VAL  32  -5.438   4.741  -3.130
  241    HA   VAL  32           HA       VAL  32  -3.862   2.745  -4.672
  242    HB   VAL  32           HB       VAL  32  -2.931   4.952  -2.806
  243   1HG1  VAL  32          2HG1      VAL  32  -1.517   3.046  -4.675
  244   2HG1  VAL  32          1HG1      VAL  32  -0.772   4.549  -4.134
  245   3HG1  VAL  32          3HG1      VAL  32  -1.213   3.311  -2.959
  246   1HG2  VAL  32          1HG2      VAL  32  -4.175   5.556  -5.023
  247   2HG2  VAL  32          3HG2      VAL  32  -2.624   6.327  -4.691
  248   3HG2  VAL  32          2HG2      VAL  32  -2.710   4.968  -5.812
  249    H    LYS  33           H        LYS  33  -2.464   1.250  -3.459
  250    HA   LYS  33           HA       LYS  33  -3.488   0.783  -0.689
  251   1HB   LYS  33          2HB       LYS  33  -2.772  -1.116  -2.907
  252   2HB   LYS  33          1HB       LYS  33  -2.713  -1.643  -1.224
  253   1HG   LYS  33          2HG       LYS  33  -4.978  -1.610  -0.997
  254   2HG   LYS  33          1HG       LYS  33  -5.150  -0.150  -1.967
  255   1HD   LYS  33          2HD       LYS  33  -4.313  -1.948  -3.855
  256   2HD   LYS  33          1HD       LYS  33  -5.276  -2.978  -2.794
  257   1HE   LYS  33          2HE       LYS  33  -6.785  -2.081  -4.435
  258   2HE   LYS  33          1HE       LYS  33  -7.106  -1.225  -2.928
  259   1HZ   LYS  33          3HZ       LYS  33  -5.215   0.314  -3.988
  260   2HZ   LYS  33          2HZ       LYS  33  -5.955  -0.254  -5.406
  261   3HZ   LYS  33          1HZ       LYS  33  -6.873   0.569  -4.236
  262    H    CYS  34           H        CYS  34  -1.935  -0.144   0.812
  263    HA   CYS  34           HA       CYS  34   0.813   0.852   0.288
  264   1HB   CYS  34          2HB       CYS  34  -0.629  -0.008   2.809
  265   2HB   CYS  34          1HB       CYS  34   1.087   0.395   2.770
  266    H    CYS  35           H        CYS  35   1.935  -0.755  -0.790
  267    HA   CYS  35           HA       CYS  35   1.572  -3.550   0.145
  268   1HB   CYS  35          2HB       CYS  35   3.184  -2.617  -2.232
  269   2HB   CYS  35          1HB       CYS  35   2.550  -4.232  -1.918
  270    NH1  ARG  36           NH1      ARG  36   5.430  -2.172   7.699
  271    NH2  ARG  36           NH2      ARG  36   5.296  -4.440   7.835
  272    H    ARG  36           H        ARG  36   3.285  -4.739   0.988
  273    HA   ARG  36           HA       ARG  36   5.940  -3.424   1.191
  274   1HB   ARG  36          2HB       ARG  36   4.129  -3.334   3.294
  275   2HB   ARG  36          1HB       ARG  36   5.138  -4.728   3.680
  276   1HG   ARG  36          2HG       ARG  36   7.075  -3.029   2.947
  277   2HG   ARG  36          1HG       ARG  36   5.880  -1.850   3.491
  278   1HD   ARG  36          2HD       ARG  36   7.188  -4.062   5.067
  279   2HD   ARG  36          1HD       ARG  36   7.102  -2.345   5.450
  280    HE   ARG  36           HE       ARG  36   4.486  -3.644   5.360
  281   1HH1  ARG  36          2HH1      ARG  36   5.466  -1.337   7.141
  282   2HH1  ARG  36          1HH1      ARG  36   5.453  -2.104   8.697
  283   1HH2  ARG  36          1HH2      ARG  36   5.231  -5.334   7.381
  284   2HH2  ARG  36          2HH2      ARG  36   5.319  -4.391   8.834
  285    H    SER  37           H        SER  37   7.621  -4.987   1.805
  286    HA   SER  37           HA       SER  37   7.119  -7.604   0.634
  287   1HB   SER  37          2HB       SER  37   9.615  -7.438   2.071
  288   2HB   SER  37          1HB       SER  37   9.347  -7.537   0.332
  289    HG   SER  37           HG       SER  37  10.150  -5.564   0.473
  290    CH2  TRP  38           CH2      TRP  38  10.466  -3.107   4.892
  291    H    TRP  38           HN       TRP  38   7.293  -6.261   3.875
  292    HA   TRP  38           HA       TRP  38   6.681  -8.984   4.924
  293   1HB   TRP  38          2HB       TRP  38   8.023  -8.540   6.900
  294   2HB   TRP  38          1HB       TRP  38   9.029  -8.301   5.473
  295    HD1  TRP  38           HD1      TRP  38   7.508  -6.488   8.406
  296    HE1  TRP  38           HE1      TRP  38   8.358  -4.056   8.444
  297    HE3  TRP  38           HE3      TRP  38   9.835  -6.298   3.870
  298    HZ2  TRP  38           HZ2      TRP  38   9.832  -2.263   6.770
  299    HZ3  TRP  38           HZ3      TRP  38  10.954  -4.221   3.115
  300    HH2  TRP  38           HH2      TRP  38  10.955  -2.205   4.558
   
  Start of MODEL          14
 Raw file had  300 H/Q atoms
  Start of MODEL   14
    1   1H    ALA   1          2H        ALA   1   5.574  11.652   0.255
    2   2H    ALA   1          1H        ALA   1   6.146  12.272  -1.222
    3   3H    ALA   1          3H        ALA   1   5.891  13.314   0.093
    4    HA   ALA   1           HA       ALA   1   4.070  13.644  -1.342
    5   1HB   ALA   1          2HB       ALA   1   4.434  10.767  -1.756
    6   2HB   ALA   1          1HB       ALA   1   2.741  11.206  -1.510
    7   3HB   ALA   1          3HB       ALA   1   3.669  11.963  -2.807
    8    HA   PRO   2           HA       PRO   2   1.476  13.567   2.198
    9   1HB   PRO   2          2HB       PRO   2  -0.960  14.055   1.027
   10   2HB   PRO   2          1HB       PRO   2   0.299  15.288   1.214
   11   1HG   PRO   2          2HG       PRO   2  -0.579  13.865  -1.247
   12   2HG   PRO   2          1HG       PRO   2   0.225  15.436  -1.085
   13   1HD   PRO   2          2HD       PRO   2   1.453  12.972  -1.828
   14   2HD   PRO   2          1HD       PRO   2   2.282  14.496  -1.441
   15    H    LEU   3           H        LEU   3  -0.088  12.291   3.330
   16    HA   LEU   3           HA       LEU   3  -1.164  10.298   3.903
   17   1HB   LEU   3          2HB       LEU   3  -1.983  10.426   0.988
   18   2HB   LEU   3          1HB       LEU   3  -2.731   9.406   2.217
   19    HG   LEU   3           HG       LEU   3  -2.557  12.425   2.416
   20   1HD1  LEU   3          2HD1      LEU   3  -3.974  11.663   0.499
   21   2HD1  LEU   3          1HD1      LEU   3  -4.929  10.704   1.633
   22   3HD1  LEU   3          3HD1      LEU   3  -4.907  12.462   1.768
   23   1HD2  LEU   3          3HD2      LEU   3  -3.240  10.313   4.249
   24   2HD2  LEU   3          2HD2      LEU   3  -3.233  12.058   4.538
   25   3HD2  LEU   3          1HD2      LEU   3  -4.685  11.270   3.911
   26    H    SER   4           H        SER   4   1.587   9.943   3.246
   27    HA   SER   4           HA       SER   4   1.721   7.609   1.465
   28   1HB   SER   4          2HB       SER   4   4.102   7.920   3.032
   29   2HB   SER   4          1HB       SER   4   3.878   8.222   1.310
   30    HG   SER   4           HG       SER   4   3.260  10.306   1.775
   31    H    CYS   5           H        CYS   5   2.821   5.577   2.389
   32    HA   CYS   5           HA       CYS   5   1.455   4.929   4.938
   33   1HB   CYS   5          2HB       CYS   5   2.027   3.488   2.507
   34   2HB   CYS   5          1HB       CYS   5   2.688   2.618   3.891
   35    H    GLY   6           H        GLY   6   3.608   6.548   5.387
   36   1HA   GLY   6          2HA       GLY   6   6.074   5.101   5.807
   37   2HA   GLY   6          1HA       GLY   6   5.674   6.675   6.500
   38    NH1  ARG   7           NH2      ARG   7  -1.615   4.557   6.524
   39    NH2  ARG   7           NH1      ARG   7  -1.210   6.585   5.572
   40    H    ARG   7           H        ARG   7   3.210   5.767   7.782
   41    HA   ARG   7           HA       ARG   7   4.288   4.880  10.280
   42   1HB   ARG   7          2HB       ARG   7   1.978   4.710  11.020
   43   2HB   ARG   7          1HB       ARG   7   2.144   6.154  10.023
   44   1HG   ARG   7          2HG       ARG   7   1.540   4.040   8.244
   45   2HG   ARG   7          1HG       ARG   7   0.442   3.858   9.612
   46   1HD   ARG   7          2HD       ARG   7  -0.784   5.601   8.898
   47   2HD   ARG   7          1HD       ARG   7   0.640   6.643   8.924
   48    HE   ARG   7           HE       ARG   7   1.121   5.783   6.594
   49   1HH1  ARG   7          1HH2      ARG   7  -1.340   3.817   7.144
   50   2HH1  ARG   7          2HH2      ARG   7  -2.469   4.480   6.007
   51   1HH2  ARG   7          2HH1      ARG   7  -0.625   7.393   5.467
   52   2HH2  ARG   7          1HH1      ARG   7  -2.063   6.517   5.051
   53    H    ASN   8           H        ASN   8   3.176   3.145   7.467
   54    HA   ASN   8           HA       ASN   8   3.208   0.597   9.008
   55   1HB   ASN   8          2HB       ASN   8   2.348   0.999   6.132
   56   2HB   ASN   8          1HB       ASN   8   2.016  -0.387   7.172
   57   1HD2  ASN   8          2HD2      ASN   8  -0.581   1.292   9.004
   58   2HD2  ASN   8          1HD2      ASN   8   0.592   0.073   9.130
   59    H    GLY   9           H        GLY   9   5.154   2.503   6.958
   60   1HA   GLY   9          2HA       GLY   9   7.292   2.075   6.099
   61   2HA   GLY   9          1HA       GLY   9   7.238   0.506   6.904
   62    H    GLY  10           H        GLY  10   4.783   1.587   4.613
   63   1HA   GLY  10          2HA       GLY  10   5.822  -0.465   2.698
   64   2HA   GLY  10          1HA       GLY  10   4.099  -0.262   3.018
   65    H    VAL  11           H        VAL  11   5.094  -0.027   0.417
   66    HA   VAL  11           HA       VAL  11   5.259   2.891  -0.097
   67    HB   VAL  11           HB       VAL  11   5.687   2.152  -2.472
   68   1HG1  VAL  11          3HG1      VAL  11   7.431   1.131  -0.218
   69   2HG1  VAL  11          2HG1      VAL  11   7.945   1.115  -1.906
   70   3HG1  VAL  11          1HG1      VAL  11   7.592   2.648  -1.105
   71   1HG2  VAL  11          3HG2      VAL  11   4.482  -0.122  -1.943
   72   2HG2  VAL  11          2HG2      VAL  11   5.867  -0.116  -3.038
   73   3HG2  VAL  11          1HG2      VAL  11   6.070  -0.619  -1.357
   74    H    CYS  12           H        CYS  12   3.776   3.884  -1.614
   75    HA   CYS  12           HA       CYS  12   1.069   2.711  -1.439
   76   1HB   CYS  12          2HB       CYS  12   1.990   5.405  -2.490
   77   2HB   CYS  12          1HB       CYS  12   0.315   4.914  -2.242
   78    H    ILE  13           H        ILE  13   1.124   1.060  -3.015
   79    HA   ILE  13           HA       ILE  13   1.778   1.893  -5.796
   80    HB   ILE  13           HB       ILE  13   1.138  -0.916  -4.906
   81   1HG1  ILE  13          2HG1      ILE  13   3.749   0.604  -4.641
   82   2HG1  ILE  13          1HG1      ILE  13   2.845  -0.199  -3.356
   83   1HG2  ILE  13          3HG2      ILE  13   2.820   0.320  -7.108
   84   2HG2  ILE  13          2HG2      ILE  13   2.756  -1.413  -6.771
   85   3HG2  ILE  13          1HG2      ILE  13   1.303  -0.563  -7.302
   86   1HD1  ILE  13          3HD1      ILE  13   3.162  -2.348  -4.767
   87   2HD1  ILE  13          2HD1      ILE  13   4.425  -1.439  -5.602
   88   3HD1  ILE  13          1HD1      ILE  13   4.550  -1.738  -3.866
   89    HA   PRO  14           HA       PRO  14  -2.631   2.105  -6.344
   90   1HB   PRO  14          2HB       PRO  14  -2.486   3.040  -8.925
   91   2HB   PRO  14          1HB       PRO  14  -2.266   4.066  -7.497
   92   1HG   PRO  14          2HG       PRO  14  -0.218   3.046  -9.407
   93   2HG   PRO  14          1HG       PRO  14  -0.177   4.493  -8.384
   94   1HD   PRO  14          2HD       PRO  14   1.154   2.044  -7.861
   95   2HD   PRO  14          1HD       PRO  14   0.933   3.383  -6.715
   96    H    ILE  15           H        ILE  15  -4.190   1.188  -7.968
   97    HA   ILE  15           HA       ILE  15  -5.023  -0.603  -9.204
   98    HB   ILE  15           HB       ILE  15  -2.206  -0.793 -10.317
   99   1HG1  ILE  15          2HG1      ILE  15  -4.552   0.933 -11.165
  100   2HG1  ILE  15          1HG1      ILE  15  -3.021   1.509 -10.503
  101   1HG2  ILE  15          3HG2      ILE  15  -3.949  -2.633 -10.762
  102   2HG2  ILE  15          2HG2      ILE  15  -4.836  -1.406 -11.673
  103   3HG2  ILE  15          1HG2      ILE  15  -3.210  -1.880 -12.177
  104   1HD1  ILE  15          3HD1      ILE  15  -1.898   0.288 -12.462
  105   2HD1  ILE  15          2HD1      ILE  15  -3.514   0.166 -13.165
  106   3HD1  ILE  15          1HD1      ILE  15  -2.800   1.753 -12.856
  107    NH1  ARG  16           NH1      ARG  16   1.507  -4.378 -10.268
  108    NH2  ARG  16           NH2      ARG  16   1.866  -6.444 -11.142
  109    H    ARG  16           H        ARG  16  -1.872  -2.170  -9.245
  110    HA   ARG  16           HA       ARG  16  -2.623  -3.802  -6.891
  111   1HB   ARG  16          2HB       ARG  16  -2.043  -5.885  -8.254
  112   2HB   ARG  16          1HB       ARG  16  -3.581  -5.116  -8.648
  113   1HG   ARG  16          2HG       ARG  16  -2.912  -4.707 -10.758
  114   2HG   ARG  16          1HG       ARG  16  -1.435  -3.930 -10.191
  115   1HD   ARG  16          2HD       ARG  16  -1.789  -6.934 -10.351
  116   2HD   ARG  16          1HD       ARG  16  -1.043  -5.969 -11.624
  117    HE   ARG  16           HE       ARG  16   0.099  -6.417  -8.911
  118   1HH1  ARG  16          2HH1      ARG  16   0.949  -3.756  -9.713
  119   2HH1  ARG  16          1HH1      ARG  16   2.338  -4.040 -10.713
  120   1HH2  ARG  16          1HH2      ARG  16   1.582  -7.397 -11.256
  121   2HH2  ARG  16          2HH2      ARG  16   2.699  -6.115 -11.591
  122    H    CYS  17           H        CYS  17  -0.739  -5.248  -6.276
  123    HA   CYS  17           HA       CYS  17   1.833  -3.937  -7.061
  124   1HB   CYS  17          2HB       CYS  17   1.584  -5.364  -4.454
  125   2HB   CYS  17          1HB       CYS  17   2.519  -3.926  -4.861
  126    HA   PRO  18           HA       PRO  18   3.347  -7.931  -8.076
  127   1HB   PRO  18          2HB       PRO  18   5.995  -7.626  -7.404
  128   2HB   PRO  18          1HB       PRO  18   5.263  -6.888  -8.839
  129   1HG   PRO  18          2HG       PRO  18   6.078  -5.603  -6.277
  130   2HG   PRO  18          1HG       PRO  18   5.924  -4.888  -7.890
  131   1HD   PRO  18          2HD       PRO  18   4.055  -4.638  -5.772
  132   2HD   PRO  18          1HD       PRO  18   3.780  -4.195  -7.470
  133    H    VAL  19           H        VAL  19   4.625  -9.823  -7.071
  134    HA   VAL  19           HA       VAL  19   3.604 -10.395  -4.455
  135    HB   VAL  19           HB       VAL  19   5.091 -12.406  -4.586
  136   1HG1  VAL  19          2HG1      VAL  19   2.930 -11.664  -6.287
  137   2HG1  VAL  19          1HG1      VAL  19   4.079 -12.582  -7.266
  138   3HG1  VAL  19          3HG1      VAL  19   3.411 -13.290  -5.792
  139   1HG2  VAL  19          2HG2      VAL  19   6.775 -10.900  -6.028
  140   2HG2  VAL  19          1HG2      VAL  19   6.715 -12.655  -6.211
  141   3HG2  VAL  19          3HG2      VAL  19   5.868 -11.619  -7.362
  142    HA   PRO  20           HA       PRO  20   4.208 -11.762  -2.886
  143   1HB   PRO  20          2HB       PRO  20   4.105 -11.321  -0.176
  144   2HB   PRO  20          1HB       PRO  20   5.319 -12.343  -0.965
  145   1HG   PRO  20          2HG       PRO  20   5.637  -9.617   0.196
  146   2HG   PRO  20          1HG       PRO  20   6.853 -10.879  -0.057
  147   1HD   PRO  20          2HD       PRO  20   6.447  -8.582  -1.682
  148   2HD   PRO  20          1HD       PRO  20   7.481  -9.975  -2.067
  149    H    MET  21           H        MET  21   4.048  -8.373  -2.640
  150    HA   MET  21           HA       MET  21   2.244  -6.894  -2.521
  151   1HB   MET  21          2HB       MET  21   1.334  -8.641  -4.164
  152   2HB   MET  21          1HB       MET  21   0.459  -9.320  -2.791
  153   1HG   MET  21          2HG       MET  21  -0.105  -6.620  -2.586
  154   2HG   MET  21          1HG       MET  21  -0.075  -6.874  -4.332
  155   1HE   MET  21          3HE       MET  21  -0.574  -9.454  -4.867
  156   2HE   MET  21          2HE       MET  21  -2.157 -10.160  -4.542
  157   3HE   MET  21          1HE       MET  21  -2.025  -8.755  -5.598
  158    NH1  ARG  22           NH1      ARG  22   5.963 -10.937   4.927
  159    NH2  ARG  22           NH2      ARG  22   5.582 -11.473   2.746
  160    H    ARG  22           H        ARG  22   3.112  -7.025  -0.145
  161    HA   ARG  22           HA       ARG  22   1.164  -8.244   1.716
  162   1HB   ARG  22          2HB       ARG  22   3.834  -7.949   1.934
  163   2HB   ARG  22          1HB       ARG  22   3.330  -6.439   2.691
  164   1HG   ARG  22          2HG       ARG  22   3.094  -7.684   4.572
  165   2HG   ARG  22          1HG       ARG  22   1.598  -8.248   3.825
  166   1HD   ARG  22          2HD       ARG  22   2.921 -10.176   4.518
  167   2HD   ARG  22          1HD       ARG  22   2.875 -10.107   2.755
  168    HE   ARG  22           HE       ARG  22   5.182  -8.698   3.482
  169   1HH1  ARG  22          2HH1      ARG  22   5.838 -10.310   5.700
  170   2HH1  ARG  22          1HH1      ARG  22   6.500 -11.773   5.047
  171   1HH2  ARG  22          1HH2      ARG  22   5.165 -11.258   1.862
  172   2HH2  ARG  22          2HH2      ARG  22   6.120 -12.311   2.852
  173    H    GLN  23           H        GLN  23  -0.685  -6.960   1.277
  174    HA   GLN  23           HA       GLN  23  -0.615  -4.079   1.276
  175   1HB   GLN  23          2HB       GLN  23  -2.533  -6.088   0.735
  176   2HB   GLN  23          1HB       GLN  23  -3.202  -5.098   2.033
  177   1HG   GLN  23          2HG       GLN  23  -2.316  -3.107   0.524
  178   2HG   GLN  23          1HG       GLN  23  -2.459  -4.312  -0.759
  179   1HE2  GLN  23          2HE2      GLN  23  -6.071  -4.663  -0.182
  180   2HE2  GLN  23          1HE2      GLN  23  -4.716  -5.670  -0.361
  181    H    ILE  24           H        ILE  24  -0.241  -2.861   3.030
  182    HA   ILE  24           HA       ILE  24  -1.220  -3.852   5.678
  183    HB   ILE  24           HB       ILE  24   0.678  -2.631   6.692
  184   1HG1  ILE  24          2HG1      ILE  24   0.750  -1.379   4.153
  185   2HG1  ILE  24          1HG1      ILE  24   1.819  -1.077   5.520
  186   1HG2  ILE  24          2HG2      ILE  24   1.512  -4.535   4.479
  187   2HG2  ILE  24          1HG2      ILE  24   2.485  -4.118   5.890
  188   3HG2  ILE  24          3HG2      ILE  24   0.975  -5.006   6.090
  189   1HD1  ILE  24          2HD1      ILE  24   2.241  -3.249   3.447
  190   2HD1  ILE  24          1HD1      ILE  24   3.069  -1.692   3.455
  191   3HD1  ILE  24          3HD1      ILE  24   3.336  -2.838   4.768
  192    H    GLY  25           H        GLY  25  -2.605  -2.159   3.678
  193   1HA   GLY  25          2HA       GLY  25  -4.133  -0.413   4.887
  194   2HA   GLY  25          1HA       GLY  25  -2.620   0.483   5.052
  195    H    THR  26           H        THR  26  -3.949   2.087   3.704
  196    HA   THR  26           HA       THR  26  -3.347   1.576   0.838
  197    HB   THR  26           HB       THR  26  -5.582   2.607   0.260
  198    HG1  THR  26           HG1      THR  26  -6.359   3.531   2.011
  199   1HG2  THR  26          2HG2      THR  26  -4.917  -0.013   0.849
  200   2HG2  THR  26          1HG2      THR  26  -6.386   0.241   1.795
  201   3HG2  THR  26          3HG2      THR  26  -6.402   0.508   0.049
  202    H    CYS  27           H        CYS  27  -3.567   3.709  -0.420
  203    HA   CYS  27           HA       CYS  27  -2.861   6.016   1.345
  204   1HB   CYS  27          2HB       CYS  27  -1.625   5.295  -1.330
  205   2HB   CYS  27          1HB       CYS  27  -1.252   6.738  -0.388
  206    H    PHE  28           H        PHE  28  -3.615   8.045   0.635
  207    HA   PHE  28           HA       PHE  28  -5.119   9.513  -0.394
  208   1HB   PHE  28          2HB       PHE  28  -4.808   7.701  -2.802
  209   2HB   PHE  28          1HB       PHE  28  -5.299   9.394  -2.799
  210    HD1  PHE  28           HD1      PHE  28  -3.637  11.118  -1.825
  211    HD2  PHE  28           HD2      PHE  28  -2.529   7.127  -2.963
  212    HE1  PHE  28           HE1      PHE  28  -1.262  11.812  -1.947
  213    HE2  PHE  28           HE2      PHE  28  -0.153   7.822  -3.086
  214    HZ   PHE  28           HZ       PHE  28   0.480  10.164  -2.577
  215    H    GLY  29           H        GLY  29  -6.175   7.205   1.058
  216   1HA   GLY  29          2HA       GLY  29  -8.514   6.748   1.449
  217   2HA   GLY  29          1HA       GLY  29  -8.840   7.129  -0.244
  218    NH1  ARG  30           NH2      ARG  30  -8.595   1.369   2.849
  219    NH2  ARG  30           NH1      ARG  30 -10.397   0.140   3.487
  220    H    ARG  30           H        ARG  30  -9.656   5.238  -1.073
  221    HA   ARG  30           HA       ARG  30  -8.204   2.725  -0.433
  222   1HB   ARG  30          2HB       ARG  30 -10.880   2.976  -1.801
  223   2HB   ARG  30          1HB       ARG  30 -10.192   1.555  -1.014
  224   1HG   ARG  30          2HG       ARG  30 -10.136   3.580   0.940
  225   2HG   ARG  30          1HG       ARG  30 -11.709   3.733   0.155
  226   1HD   ARG  30          2HD       ARG  30 -11.817   2.147   2.045
  227   2HD   ARG  30          1HD       ARG  30 -12.129   1.333   0.512
  228    HE   ARG  30           HE       ARG  30  -9.875   0.375   0.628
  229   1HH1  ARG  30          1HH2      ARG  30  -8.099   1.880   2.143
  230   2HH1  ARG  30          2HH2      ARG  30  -8.209   1.289   3.769
  231   1HH2  ARG  30          2HH1      ARG  30 -11.275  -0.287   3.270
  232   2HH2  ARG  30          1HH1      ARG  30 -10.016   0.055   4.411
  233    HA   PRO  31           HA       PRO  31  -8.125   3.206  -5.220
  234   1HB   PRO  31          2HB       PRO  31  -6.588   5.379  -5.909
  235   2HB   PRO  31          1HB       PRO  31  -8.358   5.411  -5.841
  236   1HG   PRO  31          2HG       PRO  31  -6.382   6.563  -3.927
  237   2HG   PRO  31          1HG       PRO  31  -8.041   7.079  -4.277
  238   1HD   PRO  31          2HD       PRO  31  -7.230   5.587  -2.029
  239   2HD   PRO  31          1HD       PRO  31  -8.900   5.792  -2.596
  240    H    VAL  32           H        VAL  32  -5.385   4.630  -3.363
  241    HA   VAL  32           HA       VAL  32  -3.559   2.753  -4.757
  242    HB   VAL  32           HB       VAL  32  -2.876   4.849  -2.680
  243   1HG1  VAL  32          2HG1      VAL  32  -1.346   3.187  -4.671
  244   2HG1  VAL  32          1HG1      VAL  32  -0.697   4.727  -4.104
  245   3HG1  VAL  32          3HG1      VAL  32  -1.022   3.429  -2.953
  246   1HG2  VAL  32          1HG2      VAL  32  -3.642   5.081  -5.527
  247   2HG2  VAL  32          3HG2      VAL  32  -3.637   6.309  -4.260
  248   3HG2  VAL  32          2HG2      VAL  32  -2.138   5.902  -5.100
  249    H    LYS  33           H        LYS  33  -2.358   1.165  -3.587
  250    HA   LYS  33           HA       LYS  33  -3.468   0.602  -0.868
  251   1HB   LYS  33          2HB       LYS  33  -2.367  -1.330  -2.929
  252   2HB   LYS  33          1HB       LYS  33  -2.976  -1.773  -1.333
  253   1HG   LYS  33          2HG       LYS  33  -5.014  -1.965  -2.285
  254   2HG   LYS  33          1HG       LYS  33  -5.013  -0.207  -2.421
  255   1HD   LYS  33          2HD       LYS  33  -3.960  -0.361  -4.636
  256   2HD   LYS  33          1HD       LYS  33  -3.909  -2.119  -4.502
  257   1HE   LYS  33          2HE       LYS  33  -5.855  -1.308  -5.848
  258   2HE   LYS  33          1HE       LYS  33  -6.342  -2.231  -4.427
  259   1HZ   LYS  33          1HZ       LYS  33  -6.100   0.714  -4.349
  260   2HZ   LYS  33          3HZ       LYS  33  -7.526  -0.041  -4.875
  261   3HZ   LYS  33          2HZ       LYS  33  -6.962  -0.308  -3.295
  262    H    CYS  34           H        CYS  34  -1.964  -0.333   0.676
  263    HA   CYS  34           HA       CYS  34   0.804   0.664   0.249
  264   1HB   CYS  34          2HB       CYS  34  -0.674  -0.215   2.747
  265   2HB   CYS  34          1HB       CYS  34   1.009   0.314   2.722
  266    H    CYS  35           H        CYS  35   1.652  -1.070  -1.008
  267    HA   CYS  35           HA       CYS  35   1.483  -3.778   0.208
  268   1HB   CYS  35          2HB       CYS  35   2.463  -2.846  -2.502
  269   2HB   CYS  35          1HB       CYS  35   2.484  -4.524  -1.959
  270    NH1  ARG  36           NH1      ARG  36   5.590  -3.560   7.213
  271    NH2  ARG  36           NH2      ARG  36   5.643  -5.816   6.932
  272    H    ARG  36           H        ARG  36   3.353  -4.939   0.756
  273    HA   ARG  36           HA       ARG  36   5.915  -3.406   0.713
  274   1HB   ARG  36          2HB       ARG  36   4.437  -3.891   3.005
  275   2HB   ARG  36          1HB       ARG  36   5.590  -5.224   2.991
  276   1HG   ARG  36          2HG       ARG  36   7.459  -3.700   2.858
  277   2HG   ARG  36          1HG       ARG  36   6.381  -2.322   2.629
  278   1HD   ARG  36          2HD       ARG  36   7.225  -2.542   4.984
  279   2HD   ARG  36          1HD       ARG  36   5.466  -2.595   4.858
  280    HE   ARG  36           HE       ARG  36   6.755  -5.230   4.799
  281   1HH1  ARG  36          2HH1      ARG  36   5.763  -2.637   6.867
  282   2HH1  ARG  36          1HH1      ARG  36   5.201  -3.682   8.128
  283   1HH2  ARG  36          1HH2      ARG  36   5.858  -6.618   6.367
  284   2HH2  ARG  36          2HH2      ARG  36   5.257  -5.942   7.845
  285    H    SER  37           H        SER  37   7.814  -4.871   0.878
  286    HA   SER  37           HA       SER  37   7.301  -7.357  -0.624
  287   1HB   SER  37          2HB       SER  37  10.069  -6.894   0.110
  288   2HB   SER  37          1HB       SER  37   9.342  -6.970  -1.494
  289    HG   SER  37           HG       SER  37   9.986  -4.902  -1.325
  290    CH2  TRP  38           CH2      TRP  38  10.280  -2.565   3.182
  291    H    TRP  38           HN       TRP  38   7.931  -6.355   2.621
  292    HA   TRP  38           HA       TRP  38   8.283  -9.217   3.389
  293   1HB   TRP  38          2HB       TRP  38   9.807  -8.511   5.178
  294   2HB   TRP  38          1HB       TRP  38  10.431  -7.968   3.620
  295    HD1  TRP  38           HD1      TRP  38   9.096  -6.714   6.911
  296    HE1  TRP  38           HE1      TRP  38   9.254  -4.143   6.978
  297    HE3  TRP  38           HE3      TRP  38  10.338  -5.779   2.050
  298    HZ2  TRP  38           HZ2      TRP  38   9.831  -1.974   5.204
  299    HZ3  TRP  38           HZ3      TRP  38  10.684  -3.456   1.265
  300    HH2  TRP  38           HH2      TRP  38  10.433  -1.554   2.834
   
  Start of MODEL          15
 Raw file had  300 H/Q atoms
  Start of MODEL   15
    1   1H    ALA   1          3H        ALA   1   0.076  10.655  -4.515
    2   2H    ALA   1          2H        ALA   1  -0.250  12.302  -4.252
    3   3H    ALA   1          1H        ALA   1  -1.073  11.454  -5.471
    4    HA   ALA   1           HA       ALA   1   0.508  11.809  -6.953
    5   1HB   ALA   1          1HB       ALA   1   0.923  13.751  -4.825
    6   2HB   ALA   1          3HB       ALA   1   2.424  13.409  -5.686
    7   3HB   ALA   1          2HB       ALA   1   1.008  13.973  -6.572
    8    HA   PRO   2           HA       PRO   2   4.564  10.160  -5.136
    9   1HB   PRO   2          2HB       PRO   2   4.822   9.987  -2.403
   10   2HB   PRO   2          1HB       PRO   2   5.282  11.420  -3.340
   11   1HG   PRO   2          2HG       PRO   2   2.902  11.005  -1.590
   12   2HG   PRO   2          1HG       PRO   2   3.734  12.510  -2.014
   13   1HD   PRO   2          2HD       PRO   2   1.305  11.593  -3.132
   14   2HD   PRO   2          1HD       PRO   2   2.324  12.899  -3.775
   15    H    LEU   3           H        LEU   3   5.191   7.960  -4.376
   16    HA   LEU   3           HA       LEU   3   2.784   6.302  -3.742
   17   1HB   LEU   3          2HB       LEU   3   5.331   5.453  -5.153
   18   2HB   LEU   3          1HB       LEU   3   3.888   4.467  -4.911
   19    HG   LEU   3           HG       LEU   3   3.975   7.063  -6.480
   20   1HD1  LEU   3          3HD1      LEU   3   5.125   4.897  -7.403
   21   2HD1  LEU   3          2HD1      LEU   3   3.469   4.334  -7.637
   22   3HD1  LEU   3          1HD1      LEU   3   4.026   5.798  -8.447
   23   1HD2  LEU   3          2HD2      LEU   3   1.799   5.013  -5.971
   24   2HD2  LEU   3          1HD2      LEU   3   1.785   6.717  -5.510
   25   3HD2  LEU   3          3HD2      LEU   3   1.690   6.260  -7.212
   26    H    SER   4           H        SER   4   4.023   7.460  -1.592
   27    HA   SER   4           HA       SER   4   5.617   5.201  -0.453
   28   1HB   SER   4          2HB       SER   4   5.966   7.714   0.952
   29   2HB   SER   4          1HB       SER   4   7.184   6.670   0.223
   30    HG   SER   4           HG       SER   4   7.138   8.682  -0.815
   31    H    CYS   5           H        CYS   5   4.470   4.156   1.082
   32    HA   CYS   5           HA       CYS   5   2.151   5.471   2.344
   33   1HB   CYS   5          2HB       CYS   5   2.138   3.059   1.532
   34   2HB   CYS   5          1HB       CYS   5   3.237   2.690   2.860
   35    H    GLY   6           H        GLY   6   3.401   7.051   3.570
   36   1HA   GLY   6          2HA       GLY   6   5.422   6.243   5.462
   37   2HA   GLY   6          1HA       GLY   6   4.603   7.804   5.442
   38    NH1  ARG   7           NH2      ARG   7  -2.410   3.869   5.761
   39    NH2  ARG   7           NH1      ARG   7  -4.137   5.216   5.163
   40    H    ARG   7           H        ARG   7   1.925   6.340   5.586
   41    HA   ARG   7           HA       ARG   7   1.590   6.491   8.413
   42   1HB   ARG   7          2HB       ARG   7  -0.089   5.099   6.310
   43   2HB   ARG   7          1HB       ARG   7  -0.595   5.344   7.981
   44   1HG   ARG   7          2HG       ARG   7  -0.554   7.730   7.737
   45   2HG   ARG   7          1HG       ARG   7   0.256   7.618   6.173
   46   1HD   ARG   7          2HD       ARG   7  -2.360   7.997   6.294
   47   2HD   ARG   7          1HD       ARG   7  -1.670   6.935   5.067
   48    HE   ARG   7           HE       ARG   7  -2.793   5.881   7.637
   49   1HH1  ARG   7          1HH2      ARG   7  -1.580   3.709   6.300
   50   2HH1  ARG   7          2HH2      ARG   7  -2.743   3.160   5.141
   51   1HH2  ARG   7          2HH1      ARG   7  -4.626   6.085   5.245
   52   2HH2  ARG   7          1HH1      ARG   7  -4.479   4.508   4.541
   53    H    ASN   8           H        ASN   8   1.876   3.635   6.276
   54    HA   ASN   8           HA       ASN   8   2.231   1.967   8.716
   55   1HB   ASN   8          2HB       ASN   8   1.752   1.160   5.833
   56   2HB   ASN   8          1HB       ASN   8   1.869   0.050   7.200
   57   1HD2  ASN   8          2HD2      ASN   8  -1.388   0.784   8.427
   58   2HD2  ASN   8          1HD2      ASN   8   0.103   0.054   8.777
   59    H    GLY   9           H        GLY   9   4.128   3.587   6.472
   60   1HA   GLY   9          2HA       GLY   9   6.455   3.502   6.162
   61   2HA   GLY   9          1HA       GLY   9   6.514   2.185   7.335
   62    H    GLY  10           H        GLY  10   5.136   2.691   4.065
   63   1HA   GLY  10          2HA       GLY  10   6.699   0.425   3.042
   64   2HA   GLY  10          1HA       GLY  10   4.955   0.149   3.101
   65    H    VAL  11           H        VAL  11   5.309   0.023   0.654
   66    HA   VAL  11           HA       VAL  11   5.624   2.704  -0.590
   67    HB   VAL  11           HB       VAL  11   5.742   1.501  -2.716
   68   1HG1  VAL  11          3HG1      VAL  11   7.459   0.826  -0.413
   69   2HG1  VAL  11          2HG1      VAL  11   7.576  -0.299  -1.766
   70   3HG1  VAL  11          1HG1      VAL  11   7.902   1.417  -2.013
   71   1HG2  VAL  11          3HG2      VAL  11   4.528  -0.623  -1.082
   72   2HG2  VAL  11          2HG2      VAL  11   4.468  -0.375  -2.826
   73   3HG2  VAL  11          1HG2      VAL  11   5.853  -1.188  -2.099
   74    H    CYS  12           H        CYS  12   4.006   3.060  -2.504
   75    HA   CYS  12           HA       CYS  12   1.279   2.193  -1.632
   76   1HB   CYS  12          2HB       CYS  12   2.293   4.920  -2.405
   77   2HB   CYS  12          1HB       CYS  12   0.594   4.506  -2.607
   78    H    ILE  13           H        ILE  13   0.570   0.840  -3.215
   79    HA   ILE  13           HA       ILE  13   1.358   1.396  -6.026
   80    HB   ILE  13           HB       ILE  13  -0.251  -0.997  -5.204
   81   1HG1  ILE  13          2HG1      ILE  13   2.658  -0.468  -4.575
   82   2HG1  ILE  13          1HG1      ILE  13   1.401  -1.079  -3.498
   83   1HG2  ILE  13          3HG2      ILE  13   0.537  -0.341  -7.593
   84   2HG2  ILE  13          2HG2      ILE  13   2.132  -0.852  -7.045
   85   3HG2  ILE  13          1HG2      ILE  13   0.796  -2.003  -7.062
   86   1HD1  ILE  13          3HD1      ILE  13   1.261  -3.046  -5.228
   87   2HD1  ILE  13          2HD1      ILE  13   2.878  -2.513  -5.685
   88   3HD1  ILE  13          1HD1      ILE  13   2.558  -3.036  -4.032
   89    HA   PRO  14           HA       PRO  14  -2.732   3.119  -6.463
   90   1HB   PRO  14          2HB       PRO  14  -2.321   4.005  -9.030
   91   2HB   PRO  14          1HB       PRO  14  -1.737   4.860  -7.593
   92   1HG   PRO  14          2HG       PRO  14  -0.198   3.248  -9.570
   93   2HG   PRO  14          1HG       PRO  14   0.355   4.567  -8.525
   94   1HD   PRO  14          2HD       PRO  14   0.770   1.794  -8.079
   95   2HD   PRO  14          1HD       PRO  14   1.057   3.102  -6.911
   96    H    ILE  15           H        ILE  15  -2.378   0.225  -6.935
   97    HA   ILE  15           HA       ILE  15  -4.545  -0.124  -8.866
   98    HB   ILE  15           HB       ILE  15  -2.810  -2.072  -9.795
   99   1HG1  ILE  15          2HG1      ILE  15  -1.263   0.529  -9.651
  100   2HG1  ILE  15          1HG1      ILE  15  -0.982  -0.817  -8.548
  101   1HG2  ILE  15          3HG2      ILE  15  -3.614   0.648 -10.812
  102   2HG2  ILE  15          2HG2      ILE  15  -2.585  -0.412 -11.775
  103   3HG2  ILE  15          1HG2      ILE  15  -4.206  -0.936 -11.315
  104   1HD1  ILE  15          3HD1      ILE  15  -0.898  -2.149 -10.892
  105   2HD1  ILE  15          2HD1      ILE  15  -0.333  -0.570 -11.438
  106   3HD1  ILE  15          1HD1      ILE  15   0.532  -1.422 -10.160
  107    NH1  ARG  16           NH1      ARG  16  -3.508  -8.927  -6.817
  108    NH2  ARG  16           NH2      ARG  16  -2.487  -9.608  -8.730
  109    H    ARG  16           H        ARG  16  -2.106  -2.527  -7.926
  110    HA   ARG  16           HA       ARG  16  -3.867  -3.553  -5.792
  111   1HB   ARG  16          2HB       ARG  16  -3.744  -5.873  -6.842
  112   2HB   ARG  16          1HB       ARG  16  -4.803  -4.730  -7.667
  113   1HG   ARG  16          2HG       ARG  16  -3.398  -4.519  -9.484
  114   2HG   ARG  16          1HG       ARG  16  -1.946  -4.823  -8.530
  115   1HD   ARG  16          2HD       ARG  16  -4.013  -6.916  -9.275
  116   2HD   ARG  16          1HD       ARG  16  -2.448  -6.710 -10.061
  117    HE   ARG  16           HE       ARG  16  -1.611  -7.078  -7.546
  118   1HH1  ARG  16          2HH1      ARG  16  -3.736  -8.200  -6.168
  119   2HH1  ARG  16          1HH1      ARG  16  -3.838  -9.859  -6.657
  120   1HH2  ARG  16          1HH2      ARG  16  -1.935  -9.399  -9.540
  121   2HH2  ARG  16          2HH2      ARG  16  -2.814 -10.543  -8.578
  122    H    CYS  17           H        CYS  17  -2.717  -5.592  -4.821
  123    HA   CYS  17           HA       CYS  17   0.185  -4.940  -4.687
  124   1HB   CYS  17          2HB       CYS  17  -1.544  -5.173  -2.639
  125   2HB   CYS  17          1HB       CYS  17  -1.055  -6.861  -2.778
  126    HA   PRO  18           HA       PRO  18   0.517  -8.759  -7.019
  127   1HB   PRO  18          2HB       PRO  18   3.096  -8.261  -7.826
  128   2HB   PRO  18          1HB       PRO  18   1.672  -7.574  -8.628
  129   1HG   PRO  18          2HG       PRO  18   3.636  -6.240  -6.825
  130   2HG   PRO  18          1HG       PRO  18   2.611  -5.534  -8.087
  131   1HD   PRO  18          2HD       PRO  18   2.128  -5.436  -5.290
  132   2HD   PRO  18          1HD       PRO  18   0.979  -4.997  -6.572
  133    H    VAL  19           H        VAL  19   1.264 -10.721  -6.241
  134    HA   VAL  19           HA       VAL  19   2.631 -10.859  -3.712
  135    HB   VAL  19           HB       VAL  19   2.712 -13.302  -4.152
  136   1HG1  VAL  19          2HG1      VAL  19   0.606 -12.073  -3.392
  137   2HG1  VAL  19          1HG1      VAL  19   0.052 -12.185  -5.062
  138   3HG1  VAL  19          3HG1      VAL  19   0.349 -13.653  -4.131
  139   1HG2  VAL  19          2HG2      VAL  19   1.766 -12.423  -6.895
  140   2HG2  VAL  19          1HG2      VAL  19   3.213 -13.351  -6.507
  141   3HG2  VAL  19          3HG2      VAL  19   1.619 -14.080  -6.310
  142    HA   PRO  20           HA       PRO  20   3.803 -12.663  -2.899
  143   1HB   PRO  20          2HB       PRO  20   6.075 -12.574  -1.359
  144   2HB   PRO  20          1HB       PRO  20   5.737 -13.852  -2.538
  145   1HG   PRO  20          2HG       PRO  20   7.665 -11.588  -2.726
  146   2HG   PRO  20          1HG       PRO  20   7.702 -13.162  -3.538
  147   1HD   PRO  20          2HD       PRO  20   6.889 -10.700  -4.698
  148   2HD   PRO  20          1HD       PRO  20   6.667 -12.317  -5.397
  149    H    MET  21           H        MET  21   4.625  -9.508  -3.504
  150    HA   MET  21           HA       MET  21   4.918  -8.363  -0.906
  151   1HB   MET  21          2HB       MET  21   5.242  -7.239  -3.198
  152   2HB   MET  21          1HB       MET  21   3.490  -7.035  -3.216
  153   1HG   MET  21          2HG       MET  21   3.958  -5.086  -2.141
  154   2HG   MET  21          1HG       MET  21   4.072  -6.121  -0.719
  155   1HE   MET  21          3HE       MET  21   6.144  -5.146  -3.890
  156   2HE   MET  21          2HE       MET  21   5.710  -3.678  -3.017
  157   3HE   MET  21          1HE       MET  21   7.402  -4.151  -3.145
  158    NH1  ARG  22           NH2      ARG  22   3.403  -7.468   4.565
  159    NH2  ARG  22           NH1      ARG  22   2.861  -8.421   6.555
  160    H    ARG  22           H        ARG  22   3.380  -7.772   0.620
  161    HA   ARG  22           HA       ARG  22   0.565  -8.572   0.008
  162   1HB   ARG  22          2HB       ARG  22   0.953  -9.943   1.786
  163   2HB   ARG  22          1HB       ARG  22   2.330  -8.993   2.339
  164   1HG   ARG  22          2HG       ARG  22   0.721  -7.269   3.203
  165   2HG   ARG  22          1HG       ARG  22  -0.603  -8.352   2.770
  166   1HD   ARG  22          2HD       ARG  22   0.214  -8.465   5.199
  167   2HD   ARG  22          1HD       ARG  22   0.098 -10.001   4.338
  168    HE   ARG  22           HE       ARG  22   2.486 -10.126   4.310
  169   1HH1  ARG  22          1HH2      ARG  22   3.333  -7.447   3.567
  170   2HH1  ARG  22          2HH2      ARG  22   3.953  -6.777   5.040
  171   1HH2  ARG  22          2HH1      ARG  22   2.378  -9.129   7.071
  172   2HH2  ARG  22          1HH1      ARG  22   3.404  -7.735   7.039
  173    H    GLN  23           H        GLN  23  -1.102  -7.150   0.672
  174    HA   GLN  23           HA       GLN  23  -0.414  -4.343   0.664
  175   1HB   GLN  23          2HB       GLN  23  -2.770  -5.905   0.335
  176   2HB   GLN  23          1HB       GLN  23  -3.076  -4.776   1.656
  177   1HG   GLN  23          2HG       GLN  23  -2.754  -2.901   0.309
  178   2HG   GLN  23          1HG       GLN  23  -1.762  -3.780  -0.855
  179   1HE2  GLN  23          2HE2      GLN  23  -5.846  -4.313  -1.055
  180   2HE2  GLN  23          1HE2      GLN  23  -5.131  -4.008   0.453
  181    H    ILE  24           H        ILE  24  -0.449  -2.882   2.400
  182    HA   ILE  24           HA       ILE  24  -0.945  -4.007   5.113
  183    HB   ILE  24           HB       ILE  24   1.129  -2.697   5.861
  184   1HG1  ILE  24          2HG1      ILE  24   2.463  -3.030   3.313
  185   2HG1  ILE  24          1HG1      ILE  24   1.082  -1.947   3.141
  186   1HG2  ILE  24          2HG2      ILE  24   0.882  -5.297   4.583
  187   2HG2  ILE  24          1HG2      ILE  24   2.507  -4.642   4.389
  188   3HG2  ILE  24          3HG2      ILE  24   1.823  -4.837   6.002
  189   1HD1  ILE  24          3HD1      ILE  24   2.788  -1.535   5.537
  190   2HD1  ILE  24          2HD1      ILE  24   3.495  -1.092   3.983
  191   3HD1  ILE  24          1HD1      ILE  24   1.984  -0.349   4.508
  192    H    GLY  25           H        GLY  25  -2.598  -2.229   3.532
  193   1HA   GLY  25          2HA       GLY  25  -3.745  -0.440   5.053
  194   2HA   GLY  25          1HA       GLY  25  -2.194   0.388   4.901
  195    H    THR  26           H        THR  26  -3.901   2.011   3.960
  196    HA   THR  26           HA       THR  26  -4.031   1.545   1.014
  197    HB   THR  26           HB       THR  26  -6.118   2.929   1.043
  198    HG1  THR  26           HG1      THR  26  -6.843   3.699   2.873
  199   1HG2  THR  26          2HG2      THR  26  -5.878   0.291   1.396
  200   2HG2  THR  26          1HG2      THR  26  -6.627   0.687   2.943
  201   3HG2  THR  26          3HG2      THR  26  -7.450   1.091   1.436
  202    H    CYS  27           H        CYS  27  -4.039   3.630  -0.235
  203    HA   CYS  27           HA       CYS  27  -2.637   5.814   1.248
  204   1HB   CYS  27          2HB       CYS  27  -2.048   4.989  -1.602
  205   2HB   CYS  27          1HB       CYS  27  -1.165   6.161  -0.629
  206    H    PHE  28           H        PHE  28  -3.372   7.852   0.808
  207    HA   PHE  28           HA       PHE  28  -4.843   9.509   0.048
  208   1HB   PHE  28          2HB       PHE  28  -4.739   8.104  -2.619
  209   2HB   PHE  28          1HB       PHE  28  -4.868   9.832  -2.295
  210    HD1  PHE  28           HD1      PHE  28  -2.858  10.746  -0.712
  211    HD2  PHE  28           HD2      PHE  28  -2.662   7.331  -3.308
  212    HE1  PHE  28           HE1      PHE  28  -0.387  10.943  -0.784
  213    HE2  PHE  28           HE2      PHE  28  -0.191   7.527  -3.380
  214    HZ   PHE  28           HZ       PHE  28   0.947   9.333  -2.117
  215    H    GLY  29           H        GLY  29  -6.179   7.362   1.283
  216   1HA   GLY  29          2HA       GLY  29  -8.555   7.009   1.495
  217   2HA   GLY  29          1HA       GLY  29  -8.744   7.481  -0.197
  218    NH1  ARG  30           NH1      ARG  30 -12.388  -0.863   0.224
  219    NH2  ARG  30           NH2      ARG  30 -14.278   0.368   0.531
  220    H    ARG  30           H        ARG  30  -9.581   5.684  -1.210
  221    HA   ARG  30           HA       ARG  30  -8.257   3.084  -0.614
  222   1HB   ARG  30          2HB       ARG  30 -10.974   3.529  -1.859
  223   2HB   ARG  30          1HB       ARG  30 -10.287   1.993  -1.331
  224   1HG   ARG  30          2HG       ARG  30 -10.057   3.666   0.905
  225   2HG   ARG  30          1HG       ARG  30 -11.652   4.027   0.241
  226   1HD   ARG  30          2HD       ARG  30 -10.573   1.305   1.024
  227   2HD   ARG  30          1HD       ARG  30 -11.902   2.182   1.783
  228    HE   ARG  30           HE       ARG  30 -12.481   1.785  -1.003
  229   1HH1  ARG  30          2HH1      ARG  30 -11.416  -0.913  -0.018
  230   2HH1  ARG  30          1HH1      ARG  30 -12.882  -1.698   0.475
  231   1HH2  ARG  30          1HH2      ARG  30 -14.746   1.254   0.522
  232   2HH2  ARG  30          2HH2      ARG  30 -14.783  -0.459   0.783
  233    HA   PRO  31           HA       PRO  31  -8.223   3.712  -5.385
  234   1HB   PRO  31          2HB       PRO  31  -6.590   5.833  -6.019
  235   2HB   PRO  31          1HB       PRO  31  -8.357   5.947  -5.938
  236   1HG   PRO  31          2HG       PRO  31  -6.319   6.940  -3.998
  237   2HG   PRO  31          1HG       PRO  31  -7.948   7.552  -4.329
  238   1HD   PRO  31          2HD       PRO  31  -7.225   5.961  -2.121
  239   2HD   PRO  31          1HD       PRO  31  -8.881   6.249  -2.697
  240    H    VAL  32           H        VAL  32  -5.502   4.818  -3.335
  241    HA   VAL  32           HA       VAL  32  -3.757   2.866  -4.771
  242    HB   VAL  32           HB       VAL  32  -3.010   5.207  -2.987
  243   1HG1  VAL  32          1HG1      VAL  32  -1.379   3.274  -3.099
  244   2HG1  VAL  32          3HG1      VAL  32  -1.270   3.556  -4.836
  245   3HG1  VAL  32          2HG1      VAL  32  -0.742   4.801  -3.709
  246   1HG2  VAL  32          1HG2      VAL  32  -4.093   5.481  -5.410
  247   2HG2  VAL  32          3HG2      VAL  32  -2.748   6.496  -4.893
  248   3HG2  VAL  32          2HG2      VAL  32  -2.450   5.096  -5.921
  249    H    LYS  33           H        LYS  33  -2.465   1.420  -3.425
  250    HA   LYS  33           HA       LYS  33  -3.531   1.180  -0.642
  251   1HB   LYS  33          2HB       LYS  33  -2.939  -0.973  -2.677
  252   2HB   LYS  33          1HB       LYS  33  -3.130  -1.317  -0.958
  253   1HG   LYS  33          2HG       LYS  33  -5.382  -1.022  -1.025
  254   2HG   LYS  33          1HG       LYS  33  -5.255   0.386  -2.079
  255   1HD   LYS  33          2HD       LYS  33  -4.438  -1.765  -3.677
  256   2HD   LYS  33          1HD       LYS  33  -5.820  -2.382  -2.771
  257   1HE   LYS  33          2HE       LYS  33  -6.912  -1.378  -4.558
  258   2HE   LYS  33          1HE       LYS  33  -6.876  -0.037  -3.415
  259   1HZ   LYS  33          1HZ       LYS  33  -4.519   0.255  -4.626
  260   2HZ   LYS  33          3HZ       LYS  33  -5.429  -0.396  -5.901
  261   3HZ   LYS  33          2HZ       LYS  33  -5.941   1.034  -5.136
  262    H    CYS  34           H        CYS  34  -2.038   0.235   0.905
  263    HA   CYS  34           HA       CYS  34   0.764   0.966   0.313
  264   1HB   CYS  34          2HB       CYS  34  -0.556   0.008   2.877
  265   2HB   CYS  34          1HB       CYS  34   1.116   0.548   2.738
  266    H    CYS  35           H        CYS  35   2.441  -0.600   0.281
  267    HA   CYS  35           HA       CYS  35   1.599  -3.429   0.670
  268   1HB   CYS  35          2HB       CYS  35   2.793  -2.199  -1.802
  269   2HB   CYS  35          1HB       CYS  35   3.053  -3.901  -1.429
  270    NH1  ARG  36           NH2      ARG  36   5.680  -1.668   7.833
  271    NH2  ARG  36           NH1      ARG  36   4.847  -3.765   8.105
  272    H    ARG  36           H        ARG  36   3.177  -4.701   1.583
  273    HA   ARG  36           HA       ARG  36   5.975  -3.766   1.603
  274   1HB   ARG  36          2HB       ARG  36   4.372  -3.013   3.703
  275   2HB   ARG  36          1HB       ARG  36   5.043  -4.535   4.288
  276   1HG   ARG  36          2HG       ARG  36   7.301  -3.760   3.928
  277   2HG   ARG  36          1HG       ARG  36   6.723  -2.307   3.110
  278   1HD   ARG  36          2HD       ARG  36   7.353  -1.795   5.432
  279   2HD   ARG  36          1HD       ARG  36   5.619  -1.576   5.197
  280    HE   ARG  36           HE       ARG  36   6.413  -4.228   6.195
  281   1HH1  ARG  36          1HH2      ARG  36   6.224  -1.012   7.308
  282   2HH1  ARG  36          2HH2      ARG  36   5.225  -1.374   8.675
  283   1HH2  ARG  36          2HH1      ARG  36   4.757  -4.711   7.785
  284   2HH2  ARG  36          1HH1      ARG  36   4.394  -3.481   8.950
  285    H    SER  37           H        SER  37   7.410  -5.473   2.524
  286    HA   SER  37           HA       SER  37   6.436  -8.122   1.730
  287   1HB   SER  37          2HB       SER  37   9.024  -8.179   2.990
  288   2HB   SER  37          1HB       SER  37   8.620  -8.453   1.297
  289    HG   SER  37           HG       SER  37   9.634  -6.622   1.029
  290    CH2  TRP  38           CH2      TRP  38  10.486  -3.317   5.027
  291    H    TRP  38           HN       TRP  38   7.262  -6.400   4.698
  292    HA   TRP  38           HA       TRP  38   6.305  -8.777   6.240
  293   1HB   TRP  38          2HB       TRP  38   7.794  -8.142   8.043
  294   2HB   TRP  38          1HB       TRP  38   8.746  -8.229   6.562
  295    HD1  TRP  38           HD1      TRP  38   7.564  -5.845   9.222
  296    HE1  TRP  38           HE1      TRP  38   8.581  -3.514   8.806
  297    HE3  TRP  38           HE3      TRP  38   9.565  -6.570   4.582
  298    HZ2  TRP  38           HZ2      TRP  38  10.049  -2.138   6.774
  299    HZ3  TRP  38           HZ3      TRP  38  10.766  -4.735   3.431
  300    HH2  TRP  38           HH2      TRP  38  11.010  -2.522   4.519
   
  Start of MODEL          16
 Raw file had  300 H/Q atoms
  Start of MODEL   16
    1   1H    ALA   1          1H        ALA   1   8.023  10.741  -4.411
    2   2H    ALA   1          3H        ALA   1   9.157  10.614  -5.665
    3   3H    ALA   1          2H        ALA   1   7.521  10.263  -5.960
    4    HA   ALA   1           HA       ALA   1   8.307   8.157  -5.750
    5   1HB   ALA   1          1HB       ALA   1  10.360   9.498  -4.038
    6   2HB   ALA   1          3HB       ALA   1  10.056   7.782  -3.773
    7   3HB   ALA   1          2HB       ALA   1  10.579   8.349  -5.359
    8    HA   PRO   2           HA       PRO   2   5.590   7.212  -2.451
    9   1HB   PRO   2          2HB       PRO   2   6.039   4.503  -2.292
   10   2HB   PRO   2          1HB       PRO   2   5.104   5.270  -3.587
   11   1HG   PRO   2          2HG       PRO   2   7.856   4.136  -3.686
   12   2HG   PRO   2          1HG       PRO   2   6.683   4.352  -4.996
   13   1HD   PRO   2          2HD       PRO   2   8.921   6.013  -4.463
   14   2HD   PRO   2          1HD       PRO   2   7.589   6.371  -5.582
   15    H    LEU   3           H        LEU   3   5.823   7.459  -0.264
   16    HA   LEU   3           HA       LEU   3   8.442   6.791   0.962
   17   1HB   LEU   3          2HB       LEU   3   6.536   8.890   1.328
   18   2HB   LEU   3          1HB       LEU   3   6.614   7.971   2.830
   19    HG   LEU   3           HG       LEU   3   9.082   8.190   2.827
   20   1HD1  LEU   3          3HD1      LEU   3   8.650   8.887   0.118
   21   2HD1  LEU   3          2HD1      LEU   3   9.272  10.337   0.903
   22   3HD1  LEU   3          1HD1      LEU   3  10.192   8.833   0.972
   23   1HD2  LEU   3          3HD2      LEU   3   7.253  10.558   2.807
   24   2HD2  LEU   3          2HD2      LEU   3   8.193   9.882   4.137
   25   3HD2  LEU   3          1HD2      LEU   3   8.987  10.860   2.903
   26    H    SER   4           H        SER   4   8.299   5.811   3.220
   27    HA   SER   4           HA       SER   4   6.942   3.314   3.151
   28   1HB   SER   4          2HB       SER   4   7.482   4.268   5.851
   29   2HB   SER   4          1HB       SER   4   8.213   2.923   4.976
   30    HG   SER   4           HG       SER   4   9.790   4.467   5.334
   31    H    CYS   5           H        CYS   5   4.767   3.029   3.295
   32    HA   CYS   5           HA       CYS   5   3.250   4.811   5.157
   33   1HB   CYS   5          2HB       CYS   5   1.423   4.896   3.579
   34   2HB   CYS   5          1HB       CYS   5   2.892   5.333   2.705
   35    H    GLY   6           H        GLY   6   1.207   3.763   5.939
   36   1HA   GLY   6          2HA       GLY   6  -0.099   1.821   6.463
   37   2HA   GLY   6          1HA       GLY   6   1.127   0.817   5.686
   38    NH1  ARG   7           NH1      ARG   7   3.869   1.138  12.839
   39    NH2  ARG   7           NH2      ARG   7   3.357   0.105  14.799
   40    H    ARG   7           H        ARG   7   0.379  -0.134   8.057
   41    HA   ARG   7           HA       ARG   7   1.888   1.010  10.273
   42   1HB   ARG   7          2HB       ARG   7  -0.185  -0.887   9.985
   43   2HB   ARG   7          1HB       ARG   7   1.178  -1.764  10.684
   44   1HG   ARG   7          2HG       ARG   7   0.815   0.880  11.885
   45   2HG   ARG   7          1HG       ARG   7  -0.602  -0.153  12.084
   46   1HD   ARG   7          2HD       ARG   7   0.886  -0.545  13.959
   47   2HD   ARG   7          1HD       ARG   7   0.916  -1.970  12.922
   48    HE   ARG   7           HE       ARG   7   3.149  -1.382  12.233
   49   1HH1  ARG   7          2HH1      ARG   7   3.819   1.173  11.838
   50   2HH1  ARG   7          1HH1      ARG   7   4.358   1.856  13.339
   51   1HH2  ARG   7          1HH2      ARG   7   2.917  -0.647  15.294
   52   2HH2  ARG   7          2HH2      ARG   7   3.843   0.817  15.308
   53    H    ASN   8           H        ASN   8   2.314  -1.735   8.053
   54    HA   ASN   8           HA       ASN   8   4.753  -2.634   9.353
   55   1HB   ASN   8          2HB       ASN   8   3.388  -3.291   6.753
   56   2HB   ASN   8          1HB       ASN   8   5.010  -3.890   7.092
   57   1HD2  ASN   8          2HD2      ASN   8   1.881  -5.286   9.374
   58   2HD2  ASN   8          1HD2      ASN   8   1.720  -3.794   8.582
   59    H    GLY   9           H        GLY   9   3.991  -0.289   6.871
   60   1HA   GLY   9          2HA       GLY   9   5.549   1.449   6.261
   61   2HA   GLY   9          1HA       GLY   9   6.873   0.405   6.780
   62    H    GLY  10           H        GLY  10   4.228   0.370   4.369
   63   1HA   GLY  10          2HA       GLY  10   6.116  -0.983   2.493
   64   2HA   GLY  10          1HA       GLY  10   4.356  -1.047   2.363
   65    H    VAL  11           H        VAL  11   4.461  -0.188   0.187
   66    HA   VAL  11           HA       VAL  11   5.017   2.750   0.173
   67    HB   VAL  11           HB       VAL  11   5.399   2.056  -2.441
   68   1HG1  VAL  11          3HG1      VAL  11   6.838   3.325  -0.623
   69   2HG1  VAL  11          2HG1      VAL  11   7.713   1.798  -0.547
   70   3HG1  VAL  11          1HG1      VAL  11   7.612   2.680  -2.071
   71   1HG2  VAL  11          1HG2      VAL  11   5.194  -0.375  -1.778
   72   2HG2  VAL  11          3HG2      VAL  11   6.724   0.032  -2.555
   73   3HG2  VAL  11          2HG2      VAL  11   6.652  -0.172  -0.805
   74    H    CYS  12           H        CYS  12   3.566   3.983  -1.112
   75    HA   CYS  12           HA       CYS  12   0.902   2.845  -1.319
   76   1HB   CYS  12          2HB       CYS  12   2.061   5.514  -2.170
   77   2HB   CYS  12          1HB       CYS  12   0.353   5.103  -2.309
   78    H    ILE  13           H        ILE  13   1.042   1.169  -2.886
   79    HA   ILE  13           HA       ILE  13   1.846   1.997  -5.630
   80    HB   ILE  13           HB       ILE  13   1.122  -0.818  -4.873
   81   1HG1  ILE  13          2HG1      ILE  13   3.703   0.637  -4.224
   82   2HG1  ILE  13          1HG1      ILE  13   2.634  -0.193  -3.096
   83   1HG2  ILE  13          2HG2      ILE  13   2.452   0.611  -7.053
   84   2HG2  ILE  13          1HG2      ILE  13   3.402  -0.751  -6.466
   85   3HG2  ILE  13          3HG2      ILE  13   1.755  -1.008  -7.038
   86   1HD1  ILE  13          1HD1      ILE  13   3.344  -2.042  -5.154
   87   2HD1  ILE  13          3HD1      ILE  13   4.823  -1.283  -4.567
   88   3HD1  ILE  13          2HD1      ILE  13   3.750  -2.110  -3.439
   89    HA   PRO  14           HA       PRO  14  -2.512   2.203  -6.459
   90   1HB   PRO  14          2HB       PRO  14  -2.213   3.006  -9.071
   91   2HB   PRO  14          1HB       PRO  14  -2.057   4.102  -7.686
   92   1HG   PRO  14          2HG       PRO  14   0.079   2.958  -9.423
   93   2HG   PRO  14          1HG       PRO  14   0.083   4.459  -8.482
   94   1HD   PRO  14          2HD       PRO  14   1.355   2.034  -7.750
   95   2HD   PRO  14          1HD       PRO  14   1.076   3.432  -6.688
   96    H    ILE  15           H        ILE  15  -3.932   1.297  -8.327
   97    HA   ILE  15           HA       ILE  15  -4.688  -0.617  -9.435
   98    HB   ILE  15           HB       ILE  15  -1.824  -0.943 -10.359
   99   1HG1  ILE  15          2HG1      ILE  15  -3.908   1.016 -11.379
  100   2HG1  ILE  15          1HG1      ILE  15  -2.434   1.449 -10.516
  101   1HG2  ILE  15          3HG2      ILE  15  -3.809  -2.536 -10.954
  102   2HG2  ILE  15          2HG2      ILE  15  -4.348  -1.210 -11.984
  103   3HG2  ILE  15          1HG2      ILE  15  -2.774  -1.955 -12.258
  104   1HD1  ILE  15          2HD1      ILE  15  -1.978  -0.307 -12.832
  105   2HD1  ILE  15          1HD1      ILE  15  -2.646   1.269 -13.251
  106   3HD1  ILE  15          3HD1      ILE  15  -1.134   1.164 -12.353
  107    NH1  ARG  16           NH2      ARG  16   1.673  -5.222  -9.897
  108    NH2  ARG  16           NH1      ARG  16   1.842  -7.337 -10.710
  109    H    ARG  16           H        ARG  16  -1.998  -2.602  -9.679
  110    HA   ARG  16           HA       ARG  16  -2.677  -3.915  -7.083
  111   1HB   ARG  16          2HB       ARG  16  -1.973  -6.056  -8.296
  112   2HB   ARG  16          1HB       ARG  16  -3.503  -5.344  -8.807
  113   1HG   ARG  16          2HG       ARG  16  -2.725  -4.888 -10.885
  114   2HG   ARG  16          1HG       ARG  16  -1.190  -4.277 -10.266
  115   1HD   ARG  16          2HD       ARG  16  -1.922  -7.206 -10.552
  116   2HD   ARG  16          1HD       ARG  16  -0.854  -6.309 -11.630
  117    HE   ARG  16           HE       ARG  16  -0.229  -7.022  -8.803
  118   1HH1  ARG  16          1HH2      ARG  16   1.137  -4.510  -9.438
  119   2HH1  ARG  16          2HH2      ARG  16   2.606  -5.025 -10.201
  120   1HH2  ARG  16          2HH1      ARG  16   1.435  -8.240 -10.871
  121   2HH2  ARG  16          1HH1      ARG  16   2.775  -7.151 -11.020
  122    H    CYS  17           H        CYS  17  -0.882  -5.014  -6.037
  123    HA   CYS  17           HA       CYS  17   1.718  -3.737  -6.718
  124   1HB   CYS  17          2HB       CYS  17   1.308  -5.325  -4.217
  125   2HB   CYS  17          1HB       CYS  17   2.261  -3.863  -4.472
  126    HA   PRO  18           HA       PRO  18   3.446  -7.576  -7.948
  127   1HB   PRO  18          2HB       PRO  18   6.061  -7.164  -7.202
  128   2HB   PRO  18          1HB       PRO  18   5.308  -6.383  -8.605
  129   1HG   PRO  18          2HG       PRO  18   5.997  -5.212  -5.951
  130   2HG   PRO  18          1HG       PRO  18   5.841  -4.412  -7.523
  131   1HD   PRO  18          2HD       PRO  18   3.914  -4.384  -5.448
  132   2HD   PRO  18          1HD       PRO  18   3.650  -3.868  -7.127
  133    H    VAL  19           H        VAL  19   4.714  -9.486  -7.069
  134    HA   VAL  19           HA       VAL  19   3.718 -10.350  -4.549
  135    HB   VAL  19           HB       VAL  19   5.643 -11.333  -6.572
  136   1HG1  VAL  19          3HG1      VAL  19   5.765 -12.298  -3.700
  137   2HG1  VAL  19          2HG1      VAL  19   6.531 -13.097  -5.072
  138   3HG1  VAL  19          1HG1      VAL  19   7.063 -11.490  -4.580
  139   1HG2  VAL  19          2HG2      VAL  19   3.092 -12.002  -5.472
  140   2HG2  VAL  19          1HG2      VAL  19   3.916 -12.745  -6.841
  141   3HG2  VAL  19          3HG2      VAL  19   4.171 -13.371  -5.212
  142    HA   PRO  20           HA       PRO  20   4.219 -11.640  -2.971
  143   1HB   PRO  20          2HB       PRO  20   3.952 -11.285  -0.261
  144   2HB   PRO  20          1HB       PRO  20   5.243 -12.246  -1.003
  145   1HG   PRO  20          2HG       PRO  20   5.399  -9.545   0.244
  146   2HG   PRO  20          1HG       PRO  20   6.671 -10.760   0.039
  147   1HD   PRO  20          2HD       PRO  20   6.298  -8.438  -1.554
  148   2HD   PRO  20          1HD       PRO  20   7.389  -9.793  -1.908
  149    H    MET  21           H        MET  21   3.957  -8.280  -2.718
  150    HA   MET  21           HA       MET  21   2.116  -6.847  -2.675
  151   1HB   MET  21          2HB       MET  21   1.283  -8.653  -4.301
  152   2HB   MET  21          1HB       MET  21   0.381  -9.308  -2.933
  153   1HG   MET  21          2HG       MET  21  -0.280  -6.675  -2.746
  154   2HG   MET  21          1HG       MET  21  -0.089  -6.837  -4.492
  155   1HE   MET  21          3HE       MET  21  -0.996  -8.609  -5.858
  156   2HE   MET  21          2HE       MET  21  -0.950 -10.056  -4.853
  157   3HE   MET  21          1HE       MET  21  -2.474  -9.536  -5.567
  158    NH1  ARG  22           NH2      ARG  22   5.159 -10.500   3.537
  159    NH2  ARG  22           NH1      ARG  22   5.721  -9.861   5.644
  160    H    ARG  22           H        ARG  22   3.053  -7.221  -0.219
  161    HA   ARG  22           HA       ARG  22   0.897  -8.245   1.525
  162   1HB   ARG  22          2HB       ARG  22   3.487  -8.480   1.908
  163   2HB   ARG  22          1HB       ARG  22   3.359  -6.834   2.528
  164   1HG   ARG  22          2HG       ARG  22   1.370  -7.769   3.930
  165   2HG   ARG  22          1HG       ARG  22   2.077  -9.347   3.580
  166   1HD   ARG  22          2HD       ARG  22   3.299  -7.041   5.093
  167   2HD   ARG  22          1HD       ARG  22   3.089  -8.710   5.621
  168    HE   ARG  22           HE       ARG  22   5.188  -7.737   3.758
  169   1HH1  ARG  22          1HH2      ARG  22   4.745 -10.289   2.650
  170   2HH1  ARG  22          2HH2      ARG  22   5.556 -11.404   3.701
  171   1HH2  ARG  22          2HH1      ARG  22   5.738  -9.163   6.363
  172   2HH2  ARG  22          1HH1      ARG  22   6.125 -10.760   5.815
  173    H    GLN  23           H        GLN  23  -0.725  -6.663   1.004
  174    HA   GLN  23           HA       GLN  23  -0.204  -3.833   1.261
  175   1HB   GLN  23          2HB       GLN  23  -2.656  -3.584   1.132
  176   2HB   GLN  23          1HB       GLN  23  -2.067  -4.680  -0.116
  177   1HG   GLN  23          2HG       GLN  23  -2.529  -6.506   1.768
  178   2HG   GLN  23          1HG       GLN  23  -3.663  -5.282   2.338
  179   1HE2  GLN  23          2HE2      GLN  23  -4.749  -7.549  -0.753
  180   2HE2  GLN  23          1HE2      GLN  23  -3.489  -7.938   0.315
  181    H    ILE  24           H        ILE  24  -0.171  -2.625   3.077
  182    HA   ILE  24           HA       ILE  24  -1.377  -3.765   5.561
  183    HB   ILE  24           HB       ILE  24   0.539  -2.849   6.834
  184   1HG1  ILE  24          2HG1      ILE  24   0.976  -1.366   4.508
  185   2HG1  ILE  24          1HG1      ILE  24   2.052  -1.447   5.901
  186   1HG2  ILE  24          2HG2      ILE  24   1.245  -4.728   4.560
  187   2HG2  ILE  24          1HG2      ILE  24   2.263  -4.466   5.974
  188   3HG2  ILE  24          3HG2      ILE  24   0.662  -5.179   6.161
  189   1HD1  ILE  24          3HD1      ILE  24   2.134  -3.397   3.583
  190   2HD1  ILE  24          2HD1      ILE  24   3.186  -1.990   3.728
  191   3HD1  ILE  24          1HD1      ILE  24   3.285  -3.290   4.914
  192    H    GLY  25           H        GLY  25  -2.569  -1.907   3.753
  193   1HA   GLY  25          2HA       GLY  25  -3.819  -0.024   5.181
  194   2HA   GLY  25          1HA       GLY  25  -2.244   0.755   4.997
  195    H    THR  26           H        THR  26  -4.079   2.223   3.835
  196    HA   THR  26           HA       THR  26  -3.837   1.539   0.946
  197    HB   THR  26           HB       THR  26  -6.143   2.559   0.671
  198    HG1  THR  26           HG1      THR  26  -6.175   3.570   2.735
  199   1HG2  THR  26          3HG2      THR  26  -5.436   0.021   0.989
  200   2HG2  THR  26          2HG2      THR  26  -6.360   0.186   2.481
  201   3HG2  THR  26          1HG2      THR  26  -7.136   0.480   0.924
  202    H    CYS  27           H        CYS  27  -3.998   3.473  -0.463
  203    HA   CYS  27           HA       CYS  27  -3.302   5.996   0.977
  204   1HB   CYS  27          2HB       CYS  27  -2.008   4.979  -1.569
  205   2HB   CYS  27          1HB       CYS  27  -1.618   6.477  -0.729
  206    H    PHE  28           H        PHE  28  -4.209   7.838   0.116
  207    HA   PHE  28           HA       PHE  28  -5.734   9.124  -1.100
  208   1HB   PHE  28          2HB       PHE  28  -4.962   7.320  -3.405
  209   2HB   PHE  28          1HB       PHE  28  -5.574   8.972  -3.497
  210    HD1  PHE  28           HD2      PHE  28  -4.184  10.778  -2.172
  211    HD2  PHE  28           HD1      PHE  28  -2.647   6.965  -3.418
  212    HE1  PHE  28           HE2      PHE  28  -1.870  11.648  -1.982
  213    HE2  PHE  28           HE1      PHE  28  -0.334   7.835  -3.228
  214    HZ   PHE  28           HZ       PHE  28   0.055  10.177  -2.509
  215    H    GLY  29           H        GLY  29  -6.820   6.836   0.294
  216   1HA   GLY  29          2HA       GLY  29  -9.140   6.196   0.380
  217   2HA   GLY  29          1HA       GLY  29  -9.259   6.496  -1.354
  218    NH1  ARG  30           NH2      ARG  30  -9.035   1.743   2.032
  219    NH2  ARG  30           NH1      ARG  30 -10.075  -0.220   2.528
  220    H    ARG  30           H        ARG  30  -9.829   4.549  -2.219
  221    HA   ARG  30           HA       ARG  30  -8.420   2.121  -1.256
  222   1HB   ARG  30          2HB       ARG  30 -10.836   2.265  -3.057
  223   2HB   ARG  30          1HB       ARG  30 -10.237   0.861  -2.176
  224   1HG   ARG  30          2HG       ARG  30 -10.668   3.103  -0.378
  225   2HG   ARG  30          1HG       ARG  30 -12.139   2.718  -1.271
  226   1HD   ARG  30          2HD       ARG  30 -11.991   1.409   0.822
  227   2HD   ARG  30          1HD       ARG  30 -11.945   0.360  -0.596
  228    HE   ARG  30           HE       ARG  30  -9.506   0.125  -0.241
  229   1HH1  ARG  30          1HH2      ARG  30  -8.783   2.447   1.363
  230   2HH1  ARG  30          2HH2      ARG  30  -8.750   1.842   2.988
  231   1HH2  ARG  30          2HH1      ARG  30 -10.615  -1.013   2.236
  232   2HH2  ARG  30          1HH1      ARG  30  -9.801  -0.131   3.487
  233    HA   PRO  31           HA       PRO  31  -7.631   2.323  -6.009
  234   1HB   PRO  31          2HB       PRO  31  -6.293   4.625  -6.698
  235   2HB   PRO  31          1HB       PRO  31  -8.043   4.411  -6.875
  236   1HG   PRO  31          2HG       PRO  31  -6.539   5.976  -4.827
  237   2HG   PRO  31          1HG       PRO  31  -8.172   6.236  -5.463
  238   1HD   PRO  31          2HD       PRO  31  -7.560   5.063  -2.982
  239   2HD   PRO  31          1HD       PRO  31  -9.126   4.967  -3.814
  240    H    VAL  32           H        VAL  32  -5.436   4.096  -3.785
  241    HA   VAL  32           HA       VAL  32  -3.211   2.399  -4.815
  242    HB   VAL  32           HB       VAL  32  -2.972   4.781  -2.971
  243   1HG1  VAL  32          3HG1      VAL  32  -1.059   3.115  -3.381
  244   2HG1  VAL  32          2HG1      VAL  32  -1.030   3.732  -5.033
  245   3HG1  VAL  32          1HG1      VAL  32  -0.703   4.815  -3.682
  246   1HG2  VAL  32          2HG2      VAL  32  -3.817   4.709  -5.743
  247   2HG2  VAL  32          1HG2      VAL  32  -3.658   6.099  -4.670
  248   3HG2  VAL  32          3HG2      VAL  32  -2.266   5.534  -5.593
  249    H    LYS  33           H        LYS  33  -1.978   1.137  -3.320
  250    HA   LYS  33           HA       LYS  33  -3.145   0.958  -0.575
  251   1HB   LYS  33          2HB       LYS  33  -2.400  -1.333  -2.410
  252   2HB   LYS  33          1HB       LYS  33  -2.820  -1.516  -0.707
  253   1HG   LYS  33          2HG       LYS  33  -5.042  -1.157  -1.077
  254   2HG   LYS  33          1HG       LYS  33  -4.742   0.058  -2.318
  255   1HD   LYS  33          2HD       LYS  33  -3.820  -2.520  -3.233
  256   2HD   LYS  33          1HD       LYS  33  -5.503  -2.633  -2.716
  257   1HE   LYS  33          2HE       LYS  33  -5.605  -1.977  -5.002
  258   2HE   LYS  33          1HE       LYS  33  -5.905  -0.499  -4.086
  259   1HZ   LYS  33          1HZ       LYS  33  -3.153  -0.727  -4.382
  260   2HZ   LYS  33          3HZ       LYS  33  -3.825  -1.057  -5.906
  261   3HZ   LYS  33          2HZ       LYS  33  -4.188   0.404  -5.117
  262    H    CYS  34           H        CYS  34  -1.658   0.125   1.036
  263    HA   CYS  34           HA       CYS  34   1.141   0.870   0.444
  264   1HB   CYS  34          2HB       CYS  34  -0.369   0.199   2.977
  265   2HB   CYS  34          1HB       CYS  34   1.383   0.387   2.956
  266    H    CYS  35           H        CYS  35   1.543  -1.028  -0.957
  267    HA   CYS  35           HA       CYS  35   1.456  -3.656   0.394
  268   1HB   CYS  35          2HB       CYS  35   2.305  -2.888  -2.412
  269   2HB   CYS  35          1HB       CYS  35   2.174  -4.538  -1.806
  270    NH1  ARG  36           NH1      ARG  36   7.726  -4.156   7.267
  271    NH2  ARG  36           NH2      ARG  36   7.786  -6.286   6.475
  272    H    ARG  36           H        ARG  36   3.276  -4.793   1.015
  273    HA   ARG  36           HA       ARG  36   5.862  -3.304   0.848
  274   1HB   ARG  36          2HB       ARG  36   4.507  -4.584   3.033
  275   2HB   ARG  36          1HB       ARG  36   6.011  -5.451   2.721
  276   1HG   ARG  36          2HG       ARG  36   6.759  -2.789   2.496
  277   2HG   ARG  36          1HG       ARG  36   5.610  -2.774   3.834
  278   1HD   ARG  36          2HD       ARG  36   7.938  -4.704   3.624
  279   2HD   ARG  36          1HD       ARG  36   7.982  -3.203   4.547
  280    HE   ARG  36           HE       ARG  36   5.722  -4.860   5.297
  281   1HH1  ARG  36          2HH1      ARG  36   7.432  -3.203   7.170
  282   2HH1  ARG  36          1HH1      ARG  36   8.270  -4.431   8.060
  283   1HH2  ARG  36          1HH2      ARG  36   7.539  -6.956   5.771
  284   2HH2  ARG  36          2HH2      ARG  36   8.333  -6.570   7.262
  285    H    SER  37           H        SER  37   7.759  -4.561   0.317
  286    HA   SER  37           HA       SER  37   7.129  -6.851  -1.435
  287   1HB   SER  37          2HB       SER  37   9.948  -6.241  -1.198
  288   2HB   SER  37          1HB       SER  37   8.902  -6.132  -2.613
  289    HG   SER  37           HG       SER  37   9.378  -4.064  -2.261
  290    CH2  TRP  38           CH2      TRP  38  10.511  -2.580   2.640
  291    H    TRP  38           HN       TRP  38   8.001  -6.407   1.804
  292    HA   TRP  38           HA       TRP  38   8.720  -9.264   2.016
  293   1HB   TRP  38          2HB       TRP  38  10.717  -8.843   3.316
  294   2HB   TRP  38          1HB       TRP  38  10.871  -7.951   1.804
  295    HD1  TRP  38           HD1      TRP  38  10.700  -7.501   5.517
  296    HE1  TRP  38           HE1      TRP  38  10.865  -4.997   6.104
  297    HE3  TRP  38           HE3      TRP  38  10.183  -5.471   0.864
  298    HZ2  TRP  38           HZ2      TRP  38  10.787  -2.464   4.773
  299    HZ3  TRP  38           HZ3      TRP  38  10.231  -3.015   0.550
  300    HH2  TRP  38           HH2      TRP  38  10.532  -1.509   2.497
   
  Start of MODEL          17
 Raw file had  300 H/Q atoms
  Start of MODEL   17
    1   1H    ALA   1          2H        ALA   1  -8.665  11.348   4.565
    2   2H    ALA   1          1H        ALA   1  -9.218  11.415   6.170
    3   3H    ALA   1          3H        ALA   1  -9.107  12.838   5.254
    4    HA   ALA   1           HA       ALA   1  -7.090  13.159   6.075
    5   1HB   ALA   1          1HB       ALA   1  -7.988  10.946   7.568
    6   2HB   ALA   1          3HB       ALA   1  -6.369  10.511   7.025
    7   3HB   ALA   1          2HB       ALA   1  -6.620  11.991   7.951
    8    HA   PRO   2           HA       PRO   2  -4.447  11.665   2.908
    9   1HB   PRO   2          2HB       PRO   2  -2.019  12.377   3.995
   10   2HB   PRO   2          1HB       PRO   2  -3.150  13.536   3.276
   11   1HG   PRO   2          2HG       PRO   2  -2.538  13.049   6.152
   12   2HG   PRO   2          1HG       PRO   2  -3.134  14.521   5.366
   13   1HD   PRO   2          2HD       PRO   2  -4.696  12.685   6.852
   14   2HD   PRO   2          1HD       PRO   2  -5.318  13.970   5.794
   15    H    LEU   3           H        LEU   3  -4.870   9.361   3.273
   16    HA   LEU   3           HA       LEU   3  -3.363   7.891   5.271
   17   1HB   LEU   3          2HB       LEU   3  -4.861   6.892   2.832
   18   2HB   LEU   3          1HB       LEU   3  -4.276   5.891   4.160
   19    HG   LEU   3           HG       LEU   3  -6.204   8.195   4.519
   20   1HD1  LEU   3          3HD1      LEU   3  -6.808   5.880   3.218
   21   2HD1  LEU   3          2HD1      LEU   3  -7.121   5.408   4.888
   22   3HD1  LEU   3          1HD1      LEU   3  -7.967   6.789   4.188
   23   1HD2  LEU   3          1HD2      LEU   3  -4.592   6.753   6.325
   24   2HD2  LEU   3          3HD2      LEU   3  -5.940   7.815   6.732
   25   3HD2  LEU   3          2HD2      LEU   3  -6.214   6.086   6.514
   26    H    SER   4           H        SER   4  -1.415   6.891   5.044
   27    HA   SER   4           HA       SER   4  -0.280   6.388   2.381
   28   1HB   SER   4          2HB       SER   4   1.818   7.654   3.819
   29   2HB   SER   4          1HB       SER   4   1.054   8.201   2.330
   30    HG   SER   4           HG       SER   4  -0.142   9.566   3.436
   31    H    CYS   5           H        CYS   5   2.086   5.419   2.853
   32    HA   CYS   5           HA       CYS   5   1.674   3.497   5.094
   33   1HB   CYS   5          2HB       CYS   5   3.820   3.035   3.097
   34   2HB   CYS   5          1HB       CYS   5   2.681   1.894   3.810
   35    H    GLY   6           H        GLY   6   2.683   6.151   5.623
   36   1HA   GLY   6          2HA       GLY   6   5.569   6.084   5.824
   37   2HA   GLY   6          1HA       GLY   6   4.506   7.226   6.650
   38    NH1  ARG   7           NH2      ARG   7   6.972   4.270  11.000
   39    NH2  ARG   7           NH1      ARG   7   7.192   6.109  12.318
   40    H    ARG   7           H        ARG   7   2.939   5.626   8.214
   41    HA   ARG   7           HA       ARG   7   4.803   4.834  10.292
   42   1HB   ARG   7          2HB       ARG   7   2.336   5.779  10.469
   43   2HB   ARG   7          1HB       ARG   7   1.904   4.072  10.370
   44   1HG   ARG   7          2HG       ARG   7   2.188   4.844  12.722
   45   2HG   ARG   7          1HG       ARG   7   3.322   3.564  12.293
   46   1HD   ARG   7          2HD       ARG   7   4.361   6.232  11.689
   47   2HD   ARG   7          1HD       ARG   7   4.002   6.015  13.402
   48    HE   ARG   7           HE       ARG   7   5.453   3.907  13.222
   49   1HH1  ARG   7          1HH2      ARG   7   6.468   3.440  10.746
   50   2HH1  ARG   7          2HH2      ARG   7   7.802   4.520  10.499
   51   1HH2  ARG   7          2HH1      ARG   7   6.857   6.684  13.067
   52   2HH2  ARG   7          1HH1      ARG   7   8.025   6.369  11.826
   53    H    ASN   8           H        ASN   8   2.774   3.148   7.938
   54    HA   ASN   8           HA       ASN   8   3.241   0.512   9.026
   55   1HB   ASN   8          2HB       ASN   8   2.626   1.123   6.130
   56   2HB   ASN   8          1HB       ASN   8   2.199  -0.317   7.054
   57   1HD2  ASN   8          2HD2      ASN   8  -0.699   1.133   8.501
   58   2HD2  ASN   8          1HD2      ASN   8   0.370  -0.185   8.521
   59    H    GLY   9           H        GLY   9   4.969   2.593   6.776
   60   1HA   GLY   9          2HA       GLY   9   7.217   2.396   6.084
   61   2HA   GLY   9          1HA       GLY   9   7.327   0.889   6.994
   62    H    GLY  10           H        GLY  10   5.200   1.915   4.308
   63   1HA   GLY  10          2HA       GLY  10   6.337  -0.314   2.688
   64   2HA   GLY  10          1HA       GLY  10   4.588  -0.198   2.896
   65    H    VAL  11           H        VAL  11   4.860  -0.039   0.411
   66    HA   VAL  11           HA       VAL  11   5.366   2.812  -0.337
   67    HB   VAL  11           HB       VAL  11   5.148   1.168  -2.661
   68   1HG1  VAL  11          1HG1      VAL  11   6.675   3.265  -1.708
   69   2HG1  VAL  11          3HG1      VAL  11   7.847   1.950  -1.812
   70   3HG1  VAL  11          2HG1      VAL  11   6.934   2.434  -3.242
   71   1HG2  VAL  11          3HG2      VAL  11   6.926   0.059  -0.468
   72   2HG2  VAL  11          2HG2      VAL  11   5.685  -0.797  -1.386
   73   3HG2  VAL  11          1HG2      VAL  11   7.179  -0.296  -2.178
   74    H    CYS  12           H        CYS  12   3.861   3.742  -1.909
   75    HA   CYS  12           HA       CYS  12   1.110   2.742  -1.463
   76   1HB   CYS  12          2HB       CYS  12   2.248   5.319  -2.565
   77   2HB   CYS  12          1HB       CYS  12   0.528   4.940  -2.646
   78    H    ILE  13           H        ILE  13   1.192   0.909  -2.911
   79    HA   ILE  13           HA       ILE  13   1.622   1.525  -5.782
   80    HB   ILE  13           HB       ILE  13   0.992  -1.165  -4.555
   81   1HG1  ILE  13          2HG1      ILE  13   3.658   0.242  -4.876
   82   2HG1  ILE  13          1HG1      ILE  13   2.937  -0.343  -3.377
   83   1HG2  ILE  13          1HG2      ILE  13   0.956  -0.595  -7.120
   84   2HG2  ILE  13          3HG2      ILE  13   2.713  -0.631  -6.959
   85   3HG2  ILE  13          2HG2      ILE  13   1.761  -2.063  -6.568
   86   1HD1  ILE  13          3HD1      ILE  13   2.916  -2.642  -4.759
   87   2HD1  ILE  13          2HD1      ILE  13   4.290  -1.867  -5.547
   88   3HD1  ILE  13          1HD1      ILE  13   4.309  -2.134  -3.804
   89    HA   PRO  14           HA       PRO  14  -2.777   1.799  -6.215
   90   1HB   PRO  14          2HB       PRO  14  -2.758   2.088  -8.950
   91   2HB   PRO  14          1HB       PRO  14  -2.385   3.404  -7.823
   92   1HG   PRO  14          2HG       PRO  14  -0.527   1.811  -9.529
   93   2HG   PRO  14          1HG       PRO  14  -0.346   3.460  -8.911
   94   1HD   PRO  14          2HD       PRO  14   0.907   1.155  -7.855
   95   2HD   PRO  14          1HD       PRO  14   0.793   2.738  -7.055
   96    H    ILE  15           H        ILE  15  -4.457   0.664  -7.672
   97    HA   ILE  15           HA       ILE  15  -5.431  -1.307  -8.441
   98    HB   ILE  15           HB       ILE  15  -2.613  -2.064  -9.275
   99   1HG1  ILE  15          2HG1      ILE  15  -3.399   0.209 -10.075
  100   2HG1  ILE  15          1HG1      ILE  15  -3.059  -0.948 -11.361
  101   1HG2  ILE  15          3HG2      ILE  15  -5.388  -3.001  -9.996
  102   2HG2  ILE  15          2HG2      ILE  15  -4.046  -3.196 -11.123
  103   3HG2  ILE  15          1HG2      ILE  15  -3.985  -3.966  -9.537
  104   1HD1  ILE  15          2HD1      ILE  15  -5.836  -0.897 -10.278
  105   2HD1  ILE  15          1HD1      ILE  15  -5.340   0.454 -11.297
  106   3HD1  ILE  15          3HD1      ILE  15  -5.276  -1.193 -11.924
  107    NH1  ARG  16           NH2      ARG  16  -2.430  -9.078  -5.190
  108    NH2  ARG  16           NH1      ARG  16  -2.300 -10.421  -7.018
  109    H    ARG  16           H        ARG  16  -2.475  -3.132  -7.843
  110    HA   ARG  16           HA       ARG  16  -3.409  -3.902  -5.154
  111   1HB   ARG  16          2HB       ARG  16  -3.349  -6.338  -5.783
  112   2HB   ARG  16          1HB       ARG  16  -4.675  -5.447  -6.531
  113   1HG   ARG  16          2HG       ARG  16  -3.930  -6.101  -8.549
  114   2HG   ARG  16          1HG       ARG  16  -2.448  -5.188  -8.265
  115   1HD   ARG  16          2HD       ARG  16  -1.977  -7.572  -8.766
  116   2HD   ARG  16          1HD       ARG  16  -1.437  -7.123  -7.148
  117    HE   ARG  16           HE       ARG  16  -4.136  -8.327  -7.364
  118   1HH1  ARG  16          1HH2      ARG  16  -2.682  -8.204  -4.773
  119   2HH1  ARG  16          2HH2      ARG  16  -2.020  -9.797  -4.627
  120   1HH2  ARG  16          2HH1      ARG  16  -2.453 -10.571  -7.997
  121   2HH2  ARG  16          1HH1      ARG  16  -1.891 -11.147  -6.463
  122    H    CYS  17           H        CYS  17  -1.779  -5.384  -4.113
  123    HA   CYS  17           HA       CYS  17   0.925  -4.526  -4.894
  124   1HB   CYS  17          2HB       CYS  17   0.167  -6.348  -2.601
  125   2HB   CYS  17          1HB       CYS  17   1.632  -5.382  -2.772
  126    HA   PRO  18           HA       PRO  18   1.598  -8.345  -7.031
  127   1HB   PRO  18          2HB       PRO  18   4.256  -7.881  -7.571
  128   2HB   PRO  18          1HB       PRO  18   2.929  -7.134  -8.479
  129   1HG   PRO  18          2HG       PRO  18   4.731  -5.911  -6.441
  130   2HG   PRO  18          1HG       PRO  18   3.860  -5.138  -7.775
  131   1HD   PRO  18          2HD       PRO  18   3.089  -5.103  -5.050
  132   2HD   PRO  18          1HD       PRO  18   2.077  -4.623  -6.429
  133    H    VAL  19           H        VAL  19   2.150 -10.340  -6.187
  134    HA   VAL  19           HA       VAL  19   3.236 -10.594  -3.558
  135    HB   VAL  19           HB       VAL  19   3.421 -13.031  -4.131
  136   1HG1  VAL  19          1HG1      VAL  19   0.922 -11.449  -4.709
  137   2HG1  VAL  19          3HG1      VAL  19   0.913 -13.211  -4.821
  138   3HG1  VAL  19          2HG1      VAL  19   1.309 -12.425  -3.291
  139   1HG2  VAL  19          1HG2      VAL  19   3.810 -12.188  -6.687
  140   2HG2  VAL  19          3HG2      VAL  19   3.251 -13.809  -6.277
  141   3HG2  VAL  19          2HG2      VAL  19   2.088 -12.567  -6.742
  142    HA   PRO  20           HA       PRO  20   4.290 -12.270  -2.561
  143   1HB   PRO  20          2HB       PRO  20   6.339 -12.121  -0.740
  144   2HB   PRO  20          1HB       PRO  20   6.165 -13.436  -1.916
  145   1HG   PRO  20          2HG       PRO  20   8.093 -11.164  -1.918
  146   2HG   PRO  20          1HG       PRO  20   8.243 -12.764  -2.665
  147   1HD   PRO  20          2HD       PRO  20   7.582 -10.345  -4.001
  148   2HD   PRO  20          1HD       PRO  20   7.463 -11.985  -4.673
  149    H    MET  21           H        MET  21   5.117  -9.133  -3.174
  150    HA   MET  21           HA       MET  21   5.119  -7.906  -0.591
  151   1HB   MET  21          2HB       MET  21   5.655  -6.874  -2.919
  152   2HB   MET  21          1HB       MET  21   3.915  -6.617  -3.036
  153   1HG   MET  21          2HG       MET  21   3.920  -5.302  -0.993
  154   2HG   MET  21          1HG       MET  21   5.625  -5.663  -0.726
  155   1HE   MET  21          3HE       MET  21   7.240  -4.323  -1.073
  156   2HE   MET  21          2HE       MET  21   7.587  -4.844  -2.717
  157   3HE   MET  21          1HE       MET  21   7.522  -3.124  -2.344
  158    NH1  ARG  22           NH2      ARG  22   4.708 -10.475   2.356
  159    NH2  ARG  22           NH1      ARG  22   5.034 -10.436   4.604
  160    H    ARG  22           H        ARG  22   3.482  -7.875   0.858
  161    HA   ARG  22           HA       ARG  22   0.739  -8.524  -0.069
  162   1HB   ARG  22          2HB       ARG  22   0.255  -9.082   2.177
  163   2HB   ARG  22          1HB       ARG  22   1.919  -9.624   1.959
  164   1HG   ARG  22          2HG       ARG  22   2.292  -7.015   2.720
  165   2HG   ARG  22          1HG       ARG  22   0.857  -7.454   3.649
  166   1HD   ARG  22          2HD       ARG  22   2.611  -8.109   5.066
  167   2HD   ARG  22          1HD       ARG  22   2.192  -9.612   4.243
  168    HE   ARG  22           HE       ARG  22   4.456  -7.899   3.294
  169   1HH1  ARG  22          1HH2      ARG  22   4.353 -10.045   1.524
  170   2HH1  ARG  22          2HH2      ARG  22   5.165 -11.363   2.300
  171   1HH2  ARG  22          1HH1      ARG  22   5.492 -11.324   4.560
  172   2HH2  ARG  22          2HH1      ARG  22   4.928  -9.974   5.489
  173    H    GLN  23           H        GLN  23  -0.993  -7.257   1.353
  174    HA   GLN  23           HA       GLN  23  -0.479  -4.388   0.836
  175   1HB   GLN  23          2HB       GLN  23  -2.715  -5.965   0.464
  176   2HB   GLN  23          1HB       GLN  23  -3.087  -5.132   1.974
  177   1HG   GLN  23          2HG       GLN  23  -2.566  -2.964   0.894
  178   2HG   GLN  23          1HG       GLN  23  -2.247  -3.808  -0.621
  179   1HE2  GLN  23          2HE2      GLN  23  -6.099  -3.198   0.584
  180   2HE2  GLN  23          1HE2      GLN  23  -4.804  -2.800   1.607
  181    H    ILE  24           H        ILE  24  -0.619  -2.821   2.502
  182    HA   ILE  24           HA       ILE  24  -0.969  -3.801   5.279
  183    HB   ILE  24           HB       ILE  24   1.144  -2.451   5.879
  184   1HG1  ILE  24          2HG1      ILE  24   2.430  -3.042   3.365
  185   2HG1  ILE  24          1HG1      ILE  24   1.045  -1.990   3.085
  186   1HG2  ILE  24          1HG2      ILE  24   0.735  -5.111   5.357
  187   2HG2  ILE  24          3HG2      ILE  24   2.071  -4.743   4.267
  188   3HG2  ILE  24          2HG2      ILE  24   2.237  -4.444   5.997
  189   1HD1  ILE  24          2HD1      ILE  24   2.328  -1.034   5.418
  190   2HD1  ILE  24          1HD1      ILE  24   3.594  -1.320   4.225
  191   3HD1  ILE  24          3HD1      ILE  24   2.244  -0.252   3.841
  192    H    GLY  25           H        GLY  25  -2.697  -2.161   3.755
  193   1HA   GLY  25          2HA       GLY  25  -3.790  -0.254   5.106
  194   2HA   GLY  25          1HA       GLY  25  -2.230   0.550   4.919
  195    H    THR  26           H        THR  26  -3.687   2.211   3.838
  196    HA   THR  26           HA       THR  26  -3.790   1.597   0.935
  197    HB   THR  26           HB       THR  26  -5.981   2.915   0.874
  198    HG1  THR  26           HG1      THR  26  -5.874   3.769   2.955
  199   1HG2  THR  26          1HG2      THR  26  -5.620   0.333   0.829
  200   2HG2  THR  26          3HG2      THR  26  -6.255   0.380   2.475
  201   3HG2  THR  26          2HG2      THR  26  -7.245   0.952   1.129
  202    H    CYS  27           H        CYS  27  -4.002   3.707  -0.345
  203    HA   CYS  27           HA       CYS  27  -2.755   5.961   1.167
  204   1HB   CYS  27          2HB       CYS  27  -2.018   4.957  -1.594
  205   2HB   CYS  27          1HB       CYS  27  -1.391   6.434  -0.865
  206    H    PHE  28           H        PHE  28  -3.527   7.981   0.670
  207    HA   PHE  28           HA       PHE  28  -5.038   9.581  -0.128
  208   1HB   PHE  28          2HB       PHE  28  -5.036   8.050  -2.728
  209   2HB   PHE  28          1HB       PHE  28  -5.179   9.791  -2.480
  210    HD1  PHE  28           HD1      PHE  28  -3.132  10.883  -1.153
  211    HD2  PHE  28           HD2      PHE  28  -2.961   7.205  -3.370
  212    HE1  PHE  28           HE1      PHE  28  -0.670  11.113  -1.347
  213    HE2  PHE  28           HE2      PHE  28  -0.499   7.436  -3.564
  214    HZ   PHE  28           HZ       PHE  28   0.645   9.390  -2.552
  215    H    GLY  29           H        GLY  29  -6.213   7.385   1.245
  216   1HA   GLY  29          2HA       GLY  29  -8.557   6.983   1.638
  217   2HA   GLY  29          1HA       GLY  29  -8.884   7.413  -0.044
  218    NH1  ARG  30           NH2      ARG  30 -10.613   3.579   4.155
  219    NH2  ARG  30           NH1      ARG  30  -8.503   2.738   4.202
  220    H    ARG  30           H        ARG  30  -9.694   5.581  -1.016
  221    HA   ARG  30           HA       ARG  30  -8.286   3.025  -0.415
  222   1HB   ARG  30          2HB       ARG  30 -11.053   3.702  -0.504
  223   2HB   ARG  30          1HB       ARG  30 -10.728   2.542  -1.791
  224   1HG   ARG  30          2HG       ARG  30 -10.946   1.004  -0.123
  225   2HG   ARG  30          1HG       ARG  30  -9.279   1.451   0.242
  226   1HD   ARG  30          2HD       ARG  30 -11.530   3.053   1.418
  227   2HD   ARG  30          1HD       ARG  30 -11.081   1.516   2.152
  228    HE   ARG  30           HE       ARG  30  -8.833   3.350   1.692
  229   1HH1  ARG  30          1HH2      ARG  30 -11.424   3.861   3.637
  230   2HH1  ARG  30          2HH2      ARG  30 -10.607   3.663   5.152
  231   1HH2  ARG  30          2HH1      ARG  30  -7.700   2.377   3.718
  232   2HH2  ARG  30          1HH1      ARG  30  -8.487   2.817   5.199
  233    HA   PRO  31           HA       PRO  31  -8.389   3.602  -5.186
  234   1HB   PRO  31          2HB       PRO  31  -6.715   5.676  -5.859
  235   2HB   PRO  31          1HB       PRO  31  -8.474   5.846  -5.718
  236   1HG   PRO  31          2HG       PRO  31  -6.342   6.763  -3.844
  237   2HG   PRO  31          1HG       PRO  31  -7.962   7.427  -4.113
  238   1HD   PRO  31          2HD       PRO  31  -7.204   5.792  -1.945
  239   2HD   PRO  31          1HD       PRO  31  -8.869   6.151  -2.450
  240    H    VAL  32           H        VAL  32  -5.515   4.782  -3.383
  241    HA   VAL  32           HA       VAL  32  -3.877   2.739  -4.796
  242    HB   VAL  32           HB       VAL  32  -3.033   5.031  -2.992
  243   1HG1  VAL  32          3HG1      VAL  32  -1.571   2.908  -4.521
  244   2HG1  VAL  32          2HG1      VAL  32  -0.840   4.505  -4.380
  245   3HG1  VAL  32          1HG1      VAL  32  -1.219   3.577  -2.928
  246   1HG2  VAL  32          3HG2      VAL  32  -3.030   4.765  -6.015
  247   2HG2  VAL  32          2HG2      VAL  32  -4.076   5.828  -5.073
  248   3HG2  VAL  32          1HG2      VAL  32  -2.336   6.112  -5.113
  249    H    LYS  33           H        LYS  33  -2.513   1.310  -3.463
  250    HA   LYS  33           HA       LYS  33  -3.607   0.985  -0.701
  251   1HB   LYS  33          2HB       LYS  33  -2.846  -1.104  -2.747
  252   2HB   LYS  33          1HB       LYS  33  -3.060  -1.479  -1.038
  253   1HG   LYS  33          2HG       LYS  33  -5.290  -1.559  -1.308
  254   2HG   LYS  33          1HG       LYS  33  -5.291   0.097  -1.916
  255   1HD   LYS  33          2HD       LYS  33  -4.237  -1.659  -3.940
  256   2HD   LYS  33          1HD       LYS  33  -5.794  -2.274  -3.385
  257   1HE   LYS  33          2HE       LYS  33  -5.268   0.578  -4.270
  258   2HE   LYS  33          1HE       LYS  33  -6.053  -0.657  -5.253
  259   1HZ   LYS  33          1HZ       LYS  33  -7.412  -0.722  -2.892
  260   2HZ   LYS  33          3HZ       LYS  33  -7.128   0.933  -3.133
  261   3HZ   LYS  33          2HZ       LYS  33  -7.933   0.028  -4.323
  262    H    CYS  34           H        CYS  34  -2.084  -0.009   0.830
  263    HA   CYS  34           HA       CYS  34   0.686   0.900   0.302
  264   1HB   CYS  34          2HB       CYS  34  -0.840   0.098   2.779
  265   2HB   CYS  34          1HB       CYS  34   0.920   0.185   2.791
  266    H    CYS  35           H        CYS  35   2.329  -0.587  -0.042
  267    HA   CYS  35           HA       CYS  35   1.616  -3.457   0.387
  268   1HB   CYS  35          2HB       CYS  35   3.364  -2.425  -1.853
  269   2HB   CYS  35          1HB       CYS  35   2.695  -4.046  -1.665
  270    NH1  ARG  36           NH2      ARG  36   5.016  -3.274   8.271
  271    NH2  ARG  36           NH1      ARG  36   4.672  -5.454   7.724
  272    H    ARG  36           H        ARG  36   3.235  -4.750   1.255
  273    HA   ARG  36           HA       ARG  36   5.907  -3.516   1.693
  274   1HB   ARG  36          2HB       ARG  36   3.920  -3.898   3.724
  275   2HB   ARG  36          1HB       ARG  36   5.243  -5.023   4.017
  276   1HG   ARG  36          2HG       ARG  36   6.865  -3.194   3.920
  277   2HG   ARG  36          1HG       ARG  36   5.579  -2.049   3.538
  278   1HD   ARG  36          2HD       ARG  36   6.240  -2.049   5.963
  279   2HD   ARG  36          1HD       ARG  36   4.536  -2.412   5.696
  280    HE   ARG  36           HE       ARG  36   6.255  -4.782   5.859
  281   1HH1  ARG  36          1HH2      ARG  36   5.370  -2.365   8.035
  282   2HH1  ARG  36          2HH2      ARG  36   4.574  -3.421   9.155
  283   1HH2  ARG  36          2HH1      ARG  36   4.765  -6.209   7.069
  284   2HH2  ARG  36          1HH1      ARG  36   4.230  -5.613   8.607
  285    H    SER  37           H        SER  37   7.571  -5.031   1.622
  286    HA   SER  37           HA       SER  37   6.939  -7.610   0.463
  287   1HB   SER  37          2HB       SER  37   9.637  -7.349   1.542
  288   2HB   SER  37          1HB       SER  37   9.117  -7.578  -0.126
  289    HG   SER  37           HG       SER  37  10.164  -5.532   0.306
  290    CH2  TRP  38           CH2      TRP  38   9.826  -2.774   4.550
  291    H    TRP  38           HN       TRP  38   7.427  -6.441   3.704
  292    HA   TRP  38           HA       TRP  38   7.317  -9.267   4.670
  293   1HB   TRP  38          2HB       TRP  38   8.676  -8.622   6.583
  294   2HB   TRP  38          1HB       TRP  38   9.531  -8.174   5.108
  295    HD1  TRP  38           HD1      TRP  38   7.957  -6.738   8.202
  296    HE1  TRP  38           HE1      TRP  38   8.305  -4.184   8.246
  297    HE3  TRP  38           HE3      TRP  38   9.750  -6.011   3.479
  298    HZ2  TRP  38           HZ2      TRP  38   9.223  -2.105   6.506
  299    HZ3  TRP  38           HZ3      TRP  38  10.353  -3.738   2.698
  300    HH2  TRP  38           HH2      TRP  38  10.091  -1.786   4.205
   
  Start of MODEL          18
 Raw file had  300 H/Q atoms
  Start of MODEL   18
    1   1H    ALA   1          2H        ALA   1  -5.567   5.797   3.057
    2   2H    ALA   1          1H        ALA   1  -6.082   4.398   3.871
    3   3H    ALA   1          3H        ALA   1  -7.158   5.688   3.640
    4    HA   ALA   1           HA       ALA   1  -6.593   6.414   5.645
    5   1HB   ALA   1          1HB       ALA   1  -5.389   3.987   5.683
    6   2HB   ALA   1          3HB       ALA   1  -3.970   5.025   5.815
    7   3HB   ALA   1          2HB       ALA   1  -5.260   5.139   7.011
    8    HA   PRO   2           HA       PRO   2  -3.818   9.688   4.741
    9   1HB   PRO   2          2HB       PRO   2  -3.232  10.554   7.287
   10   2HB   PRO   2          1HB       PRO   2  -4.783  10.850   6.484
   11   1HG   PRO   2          2HG       PRO   2  -4.136   8.916   8.660
   12   2HG   PRO   2          1HG       PRO   2  -5.680   9.695   8.273
   13   1HD   PRO   2          2HD       PRO   2  -4.964   7.036   7.629
   14   2HD   PRO   2          1HD       PRO   2  -6.342   7.935   6.959
   15    H    LEU   3           H        LEU   3  -1.538  10.518   5.333
   16    HA   LEU   3           HA       LEU   3   0.752  10.149   5.665
   17   1HB   LEU   3          2HB       LEU   3  -0.518   8.434   7.602
   18   2HB   LEU   3          1HB       LEU   3   0.877   7.608   6.912
   19    HG   LEU   3           HG       LEU   3   1.500   8.965   8.890
   20   1HD1  LEU   3          1HD1      LEU   3   2.988   8.639   6.792
   21   2HD1  LEU   3          3HD1      LEU   3   2.617  10.326   6.441
   22   3HD1  LEU   3          2HD1      LEU   3   3.446   9.899   7.937
   23   1HD2  LEU   3          3HD2      LEU   3  -0.316  10.703   8.408
   24   2HD2  LEU   3          2HD2      LEU   3   1.248  11.342   8.913
   25   3HD2  LEU   3          1HD2      LEU   3   0.787  11.381   7.211
   26    H    SER   4           H        SER   4   2.183   9.353   4.181
   27    HA   SER   4           HA       SER   4   1.243   7.536   2.146
   28   1HB   SER   4          2HB       SER   4   4.142   7.850   2.268
   29   2HB   SER   4          1HB       SER   4   3.017   8.332   1.002
   30    HG   SER   4           HG       SER   4   4.156  10.069   2.160
   31    H    CYS   5           H        CYS   5   0.687   5.639   3.384
   32    HA   CYS   5           HA       CYS   5   1.101   3.527   4.298
   33   1HB   CYS   5          2HB       CYS   5   3.664   4.007   2.761
   34   2HB   CYS   5          1HB       CYS   5   3.268   2.471   3.532
   35    H    GLY   6           H        GLY   6   1.573   5.693   6.062
   36   1HA   GLY   6          2HA       GLY   6   4.136   5.257   7.399
   37   2HA   GLY   6          1HA       GLY   6   2.832   6.298   7.971
   38    NH1  ARG   7           NH1      ARG   7  -0.907   5.306   7.016
   39    NH2  ARG   7           NH2      ARG   7  -1.578   4.832   4.901
   40    H    ARG   7           H        ARG   7   1.240   3.529   7.327
   41    HA   ARG   7           HA       ARG   7   0.920   2.815  10.075
   42   1HB   ARG   7          2HB       ARG   7   0.170   1.491   7.470
   43   2HB   ARG   7          1HB       ARG   7  -0.107   0.678   9.010
   44   1HG   ARG   7          2HG       ARG   7  -1.880   1.986   9.488
   45   2HG   ARG   7          1HG       ARG   7  -0.991   3.454   9.086
   46   1HD   ARG   7          2HD       ARG   7  -2.376   1.598   7.126
   47   2HD   ARG   7          1HD       ARG   7  -2.893   3.223   7.571
   48    HE   ARG   7           HE       ARG   7  -0.549   2.564   5.869
   49   1HH1  ARG   7          2HH1      ARG   7  -0.630   4.999   7.928
   50   2HH1  ARG   7          1HH1      ARG   7  -0.957   6.286   6.813
   51   1HH2  ARG   7          1HH2      ARG   7  -1.818   4.163   4.194
   52   2HH2  ARG   7          2HH2      ARG   7  -1.615   5.812   4.691
   53    H    ASN   8           H        ASN   8   2.433   0.894   7.445
   54    HA   ASN   8           HA       ASN   8   4.186  -0.300   9.555
   55   1HB   ASN   8          2HB       ASN   8   3.255  -1.613   6.987
   56   2HB   ASN   8          1HB       ASN   8   4.201  -2.365   8.271
   57   1HD2  ASN   8          2HD2      ASN   8   1.362  -2.443  10.557
   58   2HD2  ASN   8          1HD2      ASN   8   3.029  -2.123  10.563
   59    H    GLY   9           H        GLY   9   4.407   1.991   7.348
   60   1HA   GLY   9          2HA       GLY   9   6.212   2.870   6.144
   61   2HA   GLY   9          1HA       GLY   9   7.227   1.676   6.956
   62    H    GLY  10           H        GLY  10   4.786   1.882   4.360
   63   1HA   GLY  10          2HA       GLY  10   6.416  -0.123   2.852
   64   2HA   GLY  10          1HA       GLY  10   4.652  -0.193   2.861
   65    H    VAL  11           H        VAL  11   4.721   0.091   0.504
   66    HA   VAL  11           HA       VAL  11   5.288   2.931  -0.251
   67    HB   VAL  11           HB       VAL  11   5.289   1.532  -2.637
   68   1HG1  VAL  11          2HG1      VAL  11   6.886   3.292  -1.477
   69   2HG1  VAL  11          1HG1      VAL  11   7.838   1.856  -1.096
   70   3HG1  VAL  11          3HG1      VAL  11   7.490   2.259  -2.775
   71   1HG2  VAL  11          3HG2      VAL  11   5.287  -0.591  -1.256
   72   2HG2  VAL  11          2HG2      VAL  11   6.669  -0.429  -2.338
   73   3HG2  VAL  11          1HG2      VAL  11   6.856  -0.099  -0.615
   74    H    CYS  12           H        CYS  12   3.741   3.955  -1.578
   75    HA   CYS  12           HA       CYS  12   1.037   2.827  -1.379
   76   1HB   CYS  12          2HB       CYS  12   2.137   5.453  -2.408
   77   2HB   CYS  12          1HB       CYS  12   0.429   5.032  -2.517
   78    H    ILE  13           H        ILE  13   1.175   1.041  -2.859
   79    HA   ILE  13           HA       ILE  13   1.748   1.711  -5.692
   80    HB   ILE  13           HB       ILE  13   1.077  -1.012  -4.569
   81   1HG1  ILE  13          2HG1      ILE  13   3.736   0.441  -4.637
   82   2HG1  ILE  13          1HG1      ILE  13   2.915  -0.219  -3.222
   83   1HG2  ILE  13          3HG2      ILE  13   1.129  -0.558  -7.071
   84   2HG2  ILE  13          2HG2      ILE  13   2.850  -0.217  -6.891
   85   3HG2  ILE  13          1HG2      ILE  13   2.224  -1.822  -6.514
   86   1HD1  ILE  13          3HD1      ILE  13   3.053  -2.440  -4.769
   87   2HD1  ILE  13          2HD1      ILE  13   4.514  -1.606  -5.296
   88   3HD1  ILE  13          1HD1      ILE  13   4.292  -2.002  -3.592
   89    HA   PRO  14           HA       PRO  14  -2.630   1.928  -6.349
   90   1HB   PRO  14          2HB       PRO  14  -2.461   2.346  -9.061
   91   2HB   PRO  14          1HB       PRO  14  -2.185   3.616  -7.856
   92   1HG   PRO  14          2HG       PRO  14  -0.195   2.147  -9.522
   93   2HG   PRO  14          1HG       PRO  14  -0.089   3.769  -8.817
   94   1HD   PRO  14          2HD       PRO  14   1.154   1.438  -7.800
   95   2HD   PRO  14          1HD       PRO  14   0.964   2.981  -6.937
   96    H    ILE  15           H        ILE  15  -4.132   0.873  -8.128
   97    HA   ILE  15           HA       ILE  15  -5.004  -1.098  -9.010
   98    HB   ILE  15           HB       ILE  15  -2.112  -1.794  -9.599
   99   1HG1  ILE  15          2HG1      ILE  15  -2.795   0.508 -10.371
  100   2HG1  ILE  15          1HG1      ILE  15  -2.388  -0.596 -11.685
  101   1HG2  ILE  15          3HG2      ILE  15  -4.693  -2.999 -10.185
  102   2HG2  ILE  15          2HG2      ILE  15  -3.840  -2.573 -11.669
  103   3HG2  ILE  15          1HG2      ILE  15  -3.076  -3.635 -10.486
  104   1HD1  ILE  15          1HD1      ILE  15  -5.232  -0.408 -10.743
  105   2HD1  ILE  15          3HD1      ILE  15  -4.594   0.820 -11.837
  106   3HD1  ILE  15          2HD1      ILE  15  -4.612  -0.874 -12.326
  107    NH1  ARG  16           NH2      ARG  16   0.558  -6.720  -9.208
  108    NH2  ARG  16           NH1      ARG  16  -0.065  -8.908  -9.262
  109    H    ARG  16           H        ARG  16  -2.131  -2.975  -8.254
  110    HA   ARG  16           HA       ARG  16  -3.252  -3.786  -5.647
  111   1HB   ARG  16          2HB       ARG  16  -3.014  -6.251  -6.439
  112   2HB   ARG  16          1HB       ARG  16  -4.451  -5.355  -6.937
  113   1HG   ARG  16          2HG       ARG  16  -3.863  -5.397  -9.122
  114   2HG   ARG  16          1HG       ARG  16  -2.180  -5.014  -8.769
  115   1HD   ARG  16          2HD       ARG  16  -3.377  -7.755  -8.291
  116   2HD   ARG  16          1HD       ARG  16  -2.571  -7.306  -9.793
  117    HE   ARG  16           HE       ARG  16  -1.208  -7.366  -7.128
  118   1HH1  ARG  16          1HH2      ARG  16   0.399  -5.780  -8.897
  119   2HH1  ARG  16          2HH2      ARG  16   1.350  -6.926  -9.782
  120   1HH2  ARG  16          2HH1      ARG  16  -0.700  -9.636  -8.993
  121   2HH2  ARG  16          1HH1      ARG  16   0.725  -9.125  -9.838
  122    H    CYS  17           H        CYS  17  -1.722  -5.200  -4.471
  123    HA   CYS  17           HA       CYS  17   1.001  -4.314  -4.840
  124   1HB   CYS  17          2HB       CYS  17  -0.031  -6.559  -3.081
  125   2HB   CYS  17          1HB       CYS  17   1.505  -5.710  -2.908
  126    HA   PRO  18           HA       PRO  18   2.386  -7.529  -7.507
  127   1HB   PRO  18          2HB       PRO  18   5.080  -7.199  -7.062
  128   2HB   PRO  18          1HB       PRO  18   4.116  -6.105  -8.068
  129   1HG   PRO  18          2HG       PRO  18   5.187  -5.674  -5.319
  130   2HG   PRO  18          1HG       PRO  18   4.792  -4.482  -6.568
  131   1HD   PRO  18          2HD       PRO  18   3.196  -5.114  -4.317
  132   2HD   PRO  18          1HD       PRO  18   2.678  -4.179  -5.736
  133    H    VAL  19           H        VAL  19   4.601  -9.151  -7.119
  134    HA   VAL  19           HA       VAL  19   4.216 -10.367  -4.436
  135    HB   VAL  19           HB       VAL  19   4.450 -12.624  -5.773
  136   1HG1  VAL  19          2HG1      VAL  19   2.229 -11.001  -4.878
  137   2HG1  VAL  19          1HG1      VAL  19   1.753 -11.977  -6.267
  138   3HG1  VAL  19          3HG1      VAL  19   2.413 -12.754  -4.827
  139   1HG2  VAL  19          1HG2      VAL  19   4.483 -10.870  -7.899
  140   2HG2  VAL  19          3HG2      VAL  19   4.046 -12.574  -8.010
  141   3HG2  VAL  19          2HG2      VAL  19   2.787 -11.350  -7.845
  142    HA   PRO  20           HA       PRO  20   4.880 -11.783  -3.326
  143   1HB   PRO  20          2HB       PRO  20   6.655 -11.964  -1.240
  144   2HB   PRO  20          1HB       PRO  20   6.425 -13.253  -2.434
  145   1HG   PRO  20          2HG       PRO  20   8.706 -11.368  -2.135
  146   2HG   PRO  20          1HG       PRO  20   8.664 -12.962  -2.905
  147   1HD   PRO  20          2HD       PRO  20   8.607 -10.428  -4.225
  148   2HD   PRO  20          1HD       PRO  20   8.369 -12.023  -4.972
  149    H    MET  21           H        MET  21   3.659  -9.907  -2.799
  150    HA   MET  21           HA       MET  21   4.838  -8.117  -0.773
  151   1HB   MET  21          2HB       MET  21   5.258  -7.198  -3.182
  152   2HB   MET  21          1HB       MET  21   3.526  -6.853  -3.176
  153   1HG   MET  21          2HG       MET  21   3.761  -5.483  -1.179
  154   2HG   MET  21          1HG       MET  21   5.464  -5.920  -1.040
  155   1HE   MET  21          1HE       MET  21   7.277  -4.989  -2.048
  156   2HE   MET  21          3HE       MET  21   7.286  -3.388  -2.801
  157   3HE   MET  21          2HE       MET  21   6.648  -3.594  -1.170
  158    NH1  ARG  22           NH1      ARG  22   4.805  -8.834   5.822
  159    NH2  ARG  22           NH2      ARG  22   5.499 -10.117   4.079
  160    H    ARG  22           H        ARG  22   3.287  -8.051   0.778
  161    HA   ARG  22           HA       ARG  22   0.472  -8.588   0.025
  162   1HB   ARG  22          2HB       ARG  22   0.116  -9.159   2.269
  163   2HB   ARG  22          1HB       ARG  22   1.796  -9.640   2.033
  164   1HG   ARG  22          2HG       ARG  22   2.148  -7.044   2.739
  165   2HG   ARG  22          1HG       ARG  22   0.678  -7.412   3.642
  166   1HD   ARG  22          2HD       ARG  22   2.299  -8.079   5.168
  167   2HD   ARG  22          1HD       ARG  22   2.009  -9.595   4.316
  168    HE   ARG  22           HE       ARG  22   4.084  -8.208   2.947
  169   1HH1  ARG  22          2HH1      ARG  22   4.199  -8.129   6.192
  170   2HH1  ARG  22          1HH1      ARG  22   5.494  -9.258   6.413
  171   1HH2  ARG  22          1HH2      ARG  22   5.424 -10.392   3.118
  172   2HH2  ARG  22          2HH2      ARG  22   6.183 -10.551   4.668
  173    H    GLN  23           H        GLN  23  -1.119  -7.225   1.552
  174    HA   GLN  23           HA       GLN  23  -0.519  -4.387   0.933
  175   1HB   GLN  23          2HB       GLN  23  -2.787  -5.766   0.501
  176   2HB   GLN  23          1HB       GLN  23  -3.125  -5.194   2.134
  177   1HG   GLN  23          2HG       GLN  23  -2.248  -2.889   1.126
  178   2HG   GLN  23          1HG       GLN  23  -2.772  -3.627  -0.387
  179   1HE2  GLN  23          2HE2      GLN  23  -5.679  -3.113   2.492
  180   2HE2  GLN  23          1HE2      GLN  23  -4.115  -3.559   2.976
  181    H    ILE  24           H        ILE  24  -0.477  -2.799   2.550
  182    HA   ILE  24           HA       ILE  24  -0.831  -3.675   5.366
  183    HB   ILE  24           HB       ILE  24   1.326  -2.427   5.920
  184   1HG1  ILE  24          2HG1      ILE  24   2.613  -2.931   3.414
  185   2HG1  ILE  24          1HG1      ILE  24   1.193  -1.932   3.109
  186   1HG2  ILE  24          3HG2      ILE  24   1.172  -4.891   5.928
  187   2HG2  ILE  24          2HG2      ILE  24   1.527  -4.919   4.201
  188   3HG2  ILE  24          1HG2      ILE  24   2.748  -4.359   5.343
  189   1HD1  ILE  24          1HD1      ILE  24   1.991  -0.516   5.113
  190   2HD1  ILE  24          3HD1      ILE  24   3.532  -1.352   4.920
  191   3HD1  ILE  24          2HD1      ILE  24   2.891  -0.366   3.605
  192    H    GLY  25           H        GLY  25  -2.645  -2.123   4.027
  193   1HA   GLY  25          2HA       GLY  25  -3.625  -0.118   5.252
  194   2HA   GLY  25          1HA       GLY  25  -2.059   0.651   4.981
  195    H    THR  26           H        THR  26  -3.775   2.213   3.936
  196    HA   THR  26           HA       THR  26  -3.874   1.522   1.039
  197    HB   THR  26           HB       THR  26  -6.083   2.834   1.027
  198    HG1  THR  26           HG1      THR  26  -7.036   2.387   3.284
  199   1HG2  THR  26          3HG2      THR  26  -5.860   0.350   0.803
  200   2HG2  THR  26          2HG2      THR  26  -6.022   0.216   2.554
  201   3HG2  THR  26          1HG2      THR  26  -7.360   0.843   1.589
  202    H    CYS  27           H        CYS  27  -4.143   3.560  -0.316
  203    HA   CYS  27           HA       CYS  27  -2.978   5.946   1.051
  204   1HB   CYS  27          2HB       CYS  27  -2.078   4.727  -1.574
  205   2HB   CYS  27          1HB       CYS  27  -1.550   6.297  -0.973
  206    H    PHE  28           H        PHE  28  -3.879   7.860   0.415
  207    HA   PHE  28           HA       PHE  28  -5.403   9.323  -0.587
  208   1HB   PHE  28          2HB       PHE  28  -5.052   7.639  -3.072
  209   2HB   PHE  28          1HB       PHE  28  -5.419   9.361  -2.969
  210    HD1  PHE  28           HD1      PHE  28  -3.638  10.763  -1.530
  211    HD2  PHE  28           HD2      PHE  28  -2.846   7.034  -3.510
  212    HE1  PHE  28           HE1      PHE  28  -1.212  11.280  -1.536
  213    HE2  PHE  28           HE2      PHE  28  -0.421   7.551  -3.518
  214    HZ   PHE  28           HZ       PHE  28   0.396   9.675  -2.530
  215    H    GLY  29           H        GLY  29  -6.534   7.042   0.775
  216   1HA   GLY  29          2HA       GLY  29  -8.878   6.538   1.032
  217   2HA   GLY  29          1HA       GLY  29  -9.122   6.945  -0.668
  218    NH1  ARG  30           NH2      ARG  30 -11.444  -1.205  -1.010
  219    NH2  ARG  30           NH1      ARG  30  -9.664  -2.112   0.068
  220    H    ARG  30           H        ARG  30  -9.858   5.075  -1.610
  221    HA   ARG  30           HA       ARG  30  -8.457   2.548  -0.911
  222   1HB   ARG  30          2HB       ARG  30 -11.180   3.145  -2.029
  223   2HB   ARG  30          1HB       ARG  30 -10.475   1.534  -2.159
  224   1HG   ARG  30          2HG       ARG  30 -10.820   3.070   0.435
  225   2HG   ARG  30          1HG       ARG  30 -11.887   1.780  -0.120
  226   1HD   ARG  30          2HD       ARG  30  -9.011   1.592   0.764
  227   2HD   ARG  30          1HD       ARG  30 -10.399   0.658   1.319
  228    HE   ARG  30           HE       ARG  30  -8.966   0.238  -1.258
  229   1HH1  ARG  30          1HH2      ARG  30 -11.888  -0.416  -1.440
  230   2HH1  ARG  30          2HH2      ARG  30 -11.922  -2.085  -0.974
  231   1HH2  ARG  30          2HH1      ARG  30  -8.747  -2.015   0.461
  232   2HH2  ARG  30          1HH1      ARG  30 -10.132  -2.996   0.110
  233    HA   PRO  31           HA       PRO  31  -8.117   3.048  -5.689
  234   1HB   PRO  31          2HB       PRO  31  -6.607   5.264  -6.302
  235   2HB   PRO  31          1HB       PRO  31  -8.379   5.244  -6.335
  236   1HG   PRO  31          2HG       PRO  31  -6.550   6.454  -4.310
  237   2HG   PRO  31          1HG       PRO  31  -8.195   6.930  -4.765
  238   1HD   PRO  31          2HD       PRO  31  -7.499   5.472  -2.461
  239   2HD   PRO  31          1HD       PRO  31  -9.133   5.615  -3.145
  240    H    VAL  32           H        VAL  32  -5.537   4.571  -3.700
  241    HA   VAL  32           HA       VAL  32  -3.620   2.622  -4.882
  242    HB   VAL  32           HB       VAL  32  -3.024   4.993  -3.089
  243   1HG1  VAL  32          1HG1      VAL  32  -1.458   2.899  -4.415
  244   2HG1  VAL  32          3HG1      VAL  32  -0.895   4.524  -4.800
  245   3HG1  VAL  32          2HG1      VAL  32  -0.988   3.997  -3.120
  246   1HG2  VAL  32          3HG2      VAL  32  -3.347   4.771  -6.082
  247   2HG2  VAL  32          2HG2      VAL  32  -4.032   5.976  -4.990
  248   3HG2  VAL  32          1HG2      VAL  32  -2.309   6.005  -5.367
  249    H    LYS  33           H        LYS  33  -2.378   1.268  -3.440
  250    HA   LYS  33           HA       LYS  33  -3.482   1.149  -0.666
  251   1HB   LYS  33          2HB       LYS  33  -2.921  -1.113  -2.594
  252   2HB   LYS  33          1HB       LYS  33  -3.139  -1.366  -0.862
  253   1HG   LYS  33          2HG       LYS  33  -5.383  -0.869  -0.928
  254   2HG   LYS  33          1HG       LYS  33  -5.199   0.273  -2.259
  255   1HD   LYS  33          2HD       LYS  33  -4.450  -2.296  -3.235
  256   2HD   LYS  33          1HD       LYS  33  -5.982  -2.481  -2.381
  257   1HE   LYS  33          2HE       LYS  33  -6.539  -1.900  -4.641
  258   2HE   LYS  33          1HE       LYS  33  -6.816  -0.454  -3.672
  259   1HZ   LYS  33          2HZ       LYS  33  -4.174  -0.336  -4.413
  260   2HZ   LYS  33          1HZ       LYS  33  -4.988  -0.863  -5.807
  261   3HZ   LYS  33          3HZ       LYS  33  -5.451   0.585  -5.055
  262    H    CYS  34           H        CYS  34  -1.992   0.029   0.855
  263    HA   CYS  34           HA       CYS  34   0.801   0.828   0.278
  264   1HB   CYS  34          2HB       CYS  34  -0.716   0.049   2.769
  265   2HB   CYS  34          1HB       CYS  34   1.046   0.099   2.759
  266    H    CYS  35           H        CYS  35   2.342  -0.712  -0.214
  267    HA   CYS  35           HA       CYS  35   1.583  -3.557   0.304
  268   1HB   CYS  35          2HB       CYS  35   3.180  -2.550  -2.063
  269   2HB   CYS  35          1HB       CYS  35   2.589  -4.189  -1.799
  270    NH1  ARG  36           NH2      ARG  36   7.822  -2.673   7.388
  271    NH2  ARG  36           NH1      ARG  36   7.106  -4.821   7.594
  272    H    ARG  36           H        ARG  36   3.207  -4.878   1.109
  273    HA   ARG  36           HA       ARG  36   5.947  -3.745   1.338
  274   1HB   ARG  36          2HB       ARG  36   4.053  -4.193   3.542
  275   2HB   ARG  36          1HB       ARG  36   5.608  -4.990   3.778
  276   1HG   ARG  36          2HG       ARG  36   6.706  -2.779   3.168
  277   2HG   ARG  36          1HG       ARG  36   5.105  -2.050   3.275
  278   1HD   ARG  36          2HD       ARG  36   6.186  -1.760   5.419
  279   2HD   ARG  36          1HD       ARG  36   4.925  -2.977   5.614
  280    HE   ARG  36           HE       ARG  36   7.280  -4.387   4.984
  281   1HH1  ARG  36          1HH2      ARG  36   7.950  -1.853   6.827
  282   2HH1  ARG  36          2HH2      ARG  36   8.112  -2.672   8.346
  283   1HH2  ARG  36          2HH1      ARG  36   6.689  -5.639   7.188
  284   2HH2  ARG  36          1HH1      ARG  36   7.395  -4.833   8.552
  285    H    SER  37           H        SER  37   7.481  -5.315   1.014
  286    HA   SER  37           HA       SER  37   6.562  -8.008   0.340
  287   1HB   SER  37          2HB       SER  37   9.441  -7.718   0.528
  288   2HB   SER  37          1HB       SER  37   8.447  -8.038  -0.892
  289    HG   SER  37           HG       SER  37   9.325  -6.067  -1.253
  290    CH2  TRP  38           CH2      TRP  38  10.440  -2.627   2.897
  291    H    TRP  38           HN       TRP  38   8.057  -6.413   3.066
  292    HA   TRP  38           HA       TRP  38   8.224  -9.062   4.436
  293   1HB   TRP  38          2HB       TRP  38  10.126  -8.270   5.692
  294   2HB   TRP  38          1HB       TRP  38  10.462  -7.972   3.988
  295    HD1  TRP  38           HD1      TRP  38  10.042  -6.253   7.282
  296    HE1  TRP  38           HE1      TRP  38  10.356  -3.712   6.992
  297    HE3  TRP  38           HE3      TRP  38  10.023  -5.936   2.187
  298    HZ2  TRP  38           HZ2      TRP  38  10.567  -1.795   4.879
  299    HZ3  TRP  38           HZ3      TRP  38  10.281  -3.744   1.063
  300    HH2  TRP  38           HH2      TRP  38  10.553  -1.675   2.401
   
  Start of MODEL          19
 Raw file had  300 H/Q atoms
  Start of MODEL   19
    1   1H    ALA   1          1H        ALA   1  -0.627  -0.571  16.239
    2   2H    ALA   1          3H        ALA   1  -0.941  -0.250  17.875
    3   3H    ALA   1          2H        ALA   1  -1.719  -1.546  17.101
    4    HA   ALA   1           HA       ALA   1  -3.345  -0.274  16.343
    5   1HB   ALA   1          3HB       ALA   1  -2.052   1.248  18.488
    6   2HB   ALA   1          2HB       ALA   1  -2.918   2.285  17.356
    7   3HB   ALA   1          1HB       ALA   1  -3.769   0.980  18.182
    8    HA   PRO   2           HA       PRO   2  -1.372   3.248  13.881
    9   1HB   PRO   2          2HB       PRO   2   1.190   4.027  14.472
   10   2HB   PRO   2          1HB       PRO   2  -0.247   4.714  15.246
   11   1HG   PRO   2          2HG       PRO   2   1.736   2.777  16.354
   12   2HG   PRO   2          1HG       PRO   2   0.726   3.961  17.204
   13   1HD   PRO   2          2HD       PRO   2   0.220   1.189  17.029
   14   2HD   PRO   2          1HD       PRO   2  -0.938   2.431  17.550
   15    H    LEU   3           H        LEU   3  -1.358   1.266  12.499
   16    HA   LEU   3           HA       LEU   3   1.210  -0.067  12.045
   17   1HB   LEU   3          2HB       LEU   3  -1.437  -0.195  10.567
   18   2HB   LEU   3          1HB       LEU   3  -0.042  -1.211  10.207
   19    HG   LEU   3           HG       LEU   3  -1.453  -1.076  12.885
   20   1HD1  LEU   3          1HD1      LEU   3  -2.586  -2.208  10.817
   21   2HD1  LEU   3          3HD1      LEU   3  -1.368  -3.459  11.052
   22   3HD1  LEU   3          2HD1      LEU   3  -2.516  -3.091  12.340
   23   1HD2  LEU   3          1HD2      LEU   3   1.150  -2.012  12.096
   24   2HD2  LEU   3          3HD2      LEU   3   0.404  -2.071  13.692
   25   3HD2  LEU   3          2HD2      LEU   3   0.164  -3.397  12.556
   26    H    SER   4           H        SER   4  -0.987   1.777   9.925
   27    HA   SER   4           HA       SER   4  -0.556   3.189   8.123
   28   1HB   SER   4          2HB       SER   4   0.927   4.897   8.567
   29   2HB   SER   4          1HB       SER   4   0.782   4.219  10.185
   30    HG   SER   4           HG       SER   4   2.671   3.048   9.809
   31    H    CYS   5           H        CYS   5   1.606   3.788   6.627
   32    HA   CYS   5           HA       CYS   5   2.471   1.114   5.632
   33   1HB   CYS   5          2HB       CYS   5   2.755   3.611   4.008
   34   2HB   CYS   5          1HB       CYS   5   2.388   1.969   3.480
   35    H    GLY   6           H        GLY   6   3.608   4.214   6.815
   36   1HA   GLY   6          2HA       GLY   6   6.335   3.884   5.898
   37   2HA   GLY   6          1HA       GLY   6   5.789   5.034   7.120
   38    NH1  ARG   7           NH2      ARG   7   5.426  -1.705  11.636
   39    NH2  ARG   7           NH1      ARG   7   4.141  -1.802  13.503
   40    H    ARG   7           H        ARG   7   4.688   3.353   9.024
   41    HA   ARG   7           HA       ARG   7   7.003   2.436  10.422
   42   1HB   ARG   7          2HB       ARG   7   4.421   2.952  11.130
   43   2HB   ARG   7          1HB       ARG   7   4.422   1.188  11.148
   44   1HG   ARG   7          2HG       ARG   7   6.814   1.816  12.390
   45   2HG   ARG   7          1HG       ARG   7   5.722   3.069  12.982
   46   1HD   ARG   7          2HD       ARG   7   5.252   1.411  14.517
   47   2HD   ARG   7          1HD       ARG   7   4.080   0.986  13.272
   48    HE   ARG   7           HE       ARG   7   6.718  -0.380  13.623
   49   1HH1  ARG   7          1HH2      ARG   7   6.178  -1.288  11.121
   50   2HH1  ARG   7          2HH2      ARG   7   4.907  -2.463  11.236
   51   1HH2  ARG   7          2HH1      ARG   7   3.908  -1.460  14.415
   52   2HH2  ARG   7          1HH1      ARG   7   3.627  -2.567  13.110
   53    H    ASN   8           H        ASN   8   4.549   0.694   8.513
   54    HA   ASN   8           HA       ASN   8   5.744  -1.898   9.069
   55   1HB   ASN   8          2HB       ASN   8   3.634  -0.920   7.157
   56   2HB   ASN   8          1HB       ASN   8   4.271  -2.560   7.033
   57   1HD2  ASN   8          2HD2      ASN   8   1.358  -2.141   9.568
   58   2HD2  ASN   8          1HD2      ASN   8   1.574  -1.333   8.091
   59    H    GLY   9           H        GLY   9   6.258   0.611   6.698
   60   1HA   GLY   9          2HA       GLY   9   8.230   0.762   5.354
   61   2HA   GLY   9          1HA       GLY   9   8.524  -0.954   5.633
   62    H    GLY  10           H        GLY  10   5.381   0.256   4.635
   63   1HA   GLY  10          2HA       GLY  10   5.741  -1.226   2.073
   64   2HA   GLY  10          1HA       GLY  10   4.184  -0.876   2.828
   65    H    VAL  11           H        VAL  11   4.907  -0.175   0.109
   66    HA   VAL  11           HA       VAL  11   5.021   2.803   0.348
   67    HB   VAL  11           HB       VAL  11   5.552   2.561  -2.209
   68   1HG1  VAL  11          2HG1      VAL  11   7.330   2.072   0.156
   69   2HG1  VAL  11          1HG1      VAL  11   8.015   1.964  -1.464
   70   3HG1  VAL  11          3HG1      VAL  11   7.267   3.464  -0.922
   71   1HG2  VAL  11          3HG2      VAL  11   5.041   0.020  -2.001
   72   2HG2  VAL  11          2HG2      VAL  11   6.471   0.501  -2.913
   73   3HG2  VAL  11          1HG2      VAL  11   6.637  -0.090  -1.260
   74    H    CYS  12           H        CYS  12   3.623   4.008  -1.131
   75    HA   CYS  12           HA       CYS  12   0.963   2.816  -1.284
   76   1HB   CYS  12          2HB       CYS  12   2.071   5.506  -2.136
   77   2HB   CYS  12          1HB       CYS  12   0.374   5.059  -2.292
   78    H    ILE  13           H        ILE  13   1.113   1.151  -2.843
   79    HA   ILE  13           HA       ILE  13   1.963   1.950  -5.580
   80    HB   ILE  13           HB       ILE  13   1.176  -0.849  -4.853
   81   1HG1  ILE  13          2HG1      ILE  13   3.688   0.602  -3.987
   82   2HG1  ILE  13          1HG1      ILE  13   2.582  -0.341  -2.987
   83   1HG2  ILE  13          1HG2      ILE  13   2.189   0.358  -7.110
   84   2HG2  ILE  13          3HG2      ILE  13   3.647  -0.275  -6.349
   85   3HG2  ILE  13          2HG2      ILE  13   2.317  -1.362  -6.748
   86   1HD1  ILE  13          3HD1      ILE  13   3.303  -2.198  -4.852
   87   2HD1  ILE  13          2HD1      ILE  13   4.785  -1.251  -4.732
   88   3HD1  ILE  13          1HD1      ILE  13   4.102  -2.007  -3.293
   89    HA   PRO  14           HA       PRO  14  -2.386   2.188  -6.479
   90   1HB   PRO  14          2HB       PRO  14  -2.032   3.065  -9.060
   91   2HB   PRO  14          1HB       PRO  14  -1.911   4.122  -7.642
   92   1HG   PRO  14          2HG       PRO  14   0.268   3.036  -9.363
   93   2HG   PRO  14          1HG       PRO  14   0.244   4.508  -8.378
   94   1HD   PRO  14          2HD       PRO  14   1.506   2.064  -7.689
   95   2HD   PRO  14          1HD       PRO  14   1.205   3.433  -6.597
   96    H    ILE  15           H        ILE  15  -3.784   1.276  -8.317
   97    HA   ILE  15           HA       ILE  15  -4.495  -0.595  -9.516
   98    HB   ILE  15           HB       ILE  15  -1.603  -0.809 -10.398
   99   1HG1  ILE  15          2HG1      ILE  15  -3.780   1.138 -11.168
  100   2HG1  ILE  15          1HG1      ILE  15  -2.112   1.486 -10.712
  101   1HG2  ILE  15          1HG2      ILE  15  -4.258  -1.454 -11.724
  102   2HG2  ILE  15          3HG2      ILE  15  -2.683  -1.581 -12.507
  103   3HG2  ILE  15          2HG2      ILE  15  -3.074  -2.625 -11.144
  104   1HD1  ILE  15          3HD1      ILE  15  -1.613  -0.062 -12.835
  105   2HD1  ILE  15          2HD1      ILE  15  -3.204   0.526 -13.316
  106   3HD1  ILE  15          1HD1      ILE  15  -1.901   1.670 -12.999
  107    NH1  ARG  16           NH1      ARG  16  -0.429  -8.477  -8.138
  108    NH2  ARG  16           NH2      ARG  16   0.168  -9.394 -10.136
  109    H    ARG  16           H        ARG  16  -1.523  -2.355  -9.541
  110    HA   ARG  16           HA       ARG  16  -2.467  -3.907  -7.170
  111   1HB   ARG  16          2HB       ARG  16  -1.594  -5.934  -8.316
  112   2HB   ARG  16          1HB       ARG  16  -2.897  -5.172  -9.227
  113   1HG   ARG  16          2HG       ARG  16  -1.541  -4.824 -10.992
  114   2HG   ARG  16          1HG       ARG  16  -0.345  -4.023  -9.971
  115   1HD   ARG  16          2HD       ARG  16   0.468  -6.129 -11.144
  116   2HD   ARG  16          1HD       ARG  16   0.690  -6.109  -9.395
  117    HE   ARG  16           HE       ARG  16  -1.761  -7.405 -10.462
  118   1HH1  ARG  16          2HH1      ARG  16  -0.841  -7.725  -7.618
  119   2HH1  ARG  16          1HH1      ARG  16  -0.058  -9.270  -7.654
  120   1HH2  ARG  16          1HH2      ARG  16   0.211  -9.338 -11.136
  121   2HH2  ARG  16          2HH2      ARG  16   0.542 -10.194  -9.666
  122    H    CYS  17           H        CYS  17  -0.494  -5.425  -6.478
  123    HA   CYS  17           HA       CYS  17   1.987  -3.761  -6.564
  124   1HB   CYS  17          2HB       CYS  17   1.684  -5.346  -4.129
  125   2HB   CYS  17          1HB       CYS  17   2.056  -3.631  -4.309
  126    HA   PRO  18           HA       PRO  18   4.010  -7.512  -7.608
  127   1HB   PRO  18          2HB       PRO  18   6.512  -6.967  -6.602
  128   2HB   PRO  18          1HB       PRO  18   5.871  -6.230  -8.081
  129   1HG   PRO  18          2HG       PRO  18   6.218  -5.017  -5.377
  130   2HG   PRO  18          1HG       PRO  18   6.197  -4.233  -6.965
  131   1HD   PRO  18          2HD       PRO  18   4.057  -4.277  -5.114
  132   2HD   PRO  18          1HD       PRO  18   3.950  -3.800  -6.822
  133    H    VAL  19           H        VAL  19   5.340  -9.331  -6.550
  134    HA   VAL  19           HA       VAL  19   4.086 -10.141  -4.092
  135    HB   VAL  19           HB       VAL  19   5.733 -12.029  -4.171
  136   1HG1  VAL  19          1HG1      VAL  19   3.658 -11.396  -5.968
  137   2HG1  VAL  19          3HG1      VAL  19   4.964 -12.033  -6.965
  138   3HG1  VAL  19          2HG1      VAL  19   4.319 -12.996  -5.637
  139   1HG2  VAL  19          1HG2      VAL  19   7.384 -10.275  -5.424
  140   2HG2  VAL  19          3HG2      VAL  19   7.555 -12.023  -5.564
  141   3HG2  VAL  19          2HG2      VAL  19   6.718 -11.116  -6.822
  142    HA   PRO  20           HA       PRO  20   4.667 -11.585  -2.543
  143   1HB   PRO  20          2HB       PRO  20   4.294 -11.353   0.169
  144   2HB   PRO  20          1HB       PRO  20   5.662 -12.208  -0.564
  145   1HG   PRO  20          2HG       PRO  20   5.615  -9.550   0.783
  146   2HG   PRO  20          1HG       PRO  20   6.962 -10.683   0.583
  147   1HD   PRO  20          2HD       PRO  20   6.515  -8.328  -0.939
  148   2HD   PRO  20          1HD       PRO  20   7.687  -9.611  -1.307
  149    H    MET  21           H        MET  21   4.150  -8.315  -2.428
  150    HA   MET  21           HA       MET  21   2.228  -6.996  -2.405
  151   1HB   MET  21          2HB       MET  21   1.474  -8.936  -3.911
  152   2HB   MET  21          1HB       MET  21   0.651  -9.570  -2.487
  153   1HG   MET  21          2HG       MET  21  -0.925  -7.905  -2.482
  154   2HG   MET  21          1HG       MET  21   0.196  -6.696  -3.109
  155   1HE   MET  21          2HE       MET  21  -2.872  -7.931  -3.649
  156   2HE   MET  21          1HE       MET  21  -3.078  -8.654  -5.244
  157   3HE   MET  21          3HE       MET  21  -2.320  -9.579  -3.937
  158    NH1  ARG  22           NH1      ARG  22   4.172 -11.293   3.129
  159    NH2  ARG  22           NH2      ARG  22   6.330 -10.965   3.765
  160    H    ARG  22           H        ARG  22   3.200  -7.115   0.034
  161    HA   ARG  22           HA       ARG  22   1.172  -8.211   1.884
  162   1HB   ARG  22          2HB       ARG  22   3.849  -8.036   2.141
  163   2HB   ARG  22          1HB       ARG  22   3.399  -6.502   2.885
  164   1HG   ARG  22          2HG       ARG  22   2.098  -7.553   4.554
  165   2HG   ARG  22          1HG       ARG  22   2.007  -9.066   3.652
  166   1HD   ARG  22          2HD       ARG  22   4.303  -7.951   5.243
  167   2HD   ARG  22          1HD       ARG  22   3.603  -9.568   5.290
  168    HE   ARG  22           HE       ARG  22   5.406  -8.559   3.130
  169   1HH1  ARG  22          2HH1      ARG  22   3.260 -10.926   2.939
  170   2HH1  ARG  22          1HH1      ARG  22   4.348 -12.272   3.019
  171   1HH2  ARG  22          1HH2      ARG  22   7.064 -10.346   4.058
  172   2HH2  ARG  22          2HH2      ARG  22   6.517 -11.943   3.659
  173    H    GLN  23           H        GLN  23  -0.616  -6.857   1.399
  174    HA   GLN  23           HA       GLN  23  -0.379  -3.966   1.393
  175   1HB   GLN  23          2HB       GLN  23  -2.237  -5.588   0.379
  176   2HB   GLN  23          1HB       GLN  23  -2.994  -5.305   1.946
  177   1HG   GLN  23          2HG       GLN  23  -2.214  -2.770   1.251
  178   2HG   GLN  23          1HG       GLN  23  -2.623  -3.457  -0.321
  179   1HE2  GLN  23          2HE2      GLN  23  -5.654  -3.506   2.471
  180   2HE2  GLN  23          1HE2      GLN  23  -4.076  -3.885   2.969
  181    H    ILE  24           H        ILE  24  -0.101  -2.766   3.191
  182    HA   ILE  24           HA       ILE  24  -1.270  -3.787   5.749
  183    HB   ILE  24           HB       ILE  24   0.595  -2.677   6.919
  184   1HG1  ILE  24          2HG1      ILE  24   0.845  -1.266   4.515
  185   2HG1  ILE  24          1HG1      ILE  24   1.937  -1.173   5.896
  186   1HG2  ILE  24          1HG2      ILE  24   1.465  -4.542   4.689
  187   2HG2  ILE  24          3HG2      ILE  24   2.417  -4.178   6.128
  188   3HG2  ILE  24          2HG2      ILE  24   0.877  -5.024   6.280
  189   1HD1  ILE  24          2HD1      ILE  24   2.205  -3.294   3.756
  190   2HD1  ILE  24          1HD1      ILE  24   3.021  -1.736   3.654
  191   3HD1  ILE  24          3HD1      ILE  24   3.389  -2.835   4.982
  192    H    GLY  25           H        GLY  25  -2.492  -2.005   3.732
  193   1HA   GLY  25          2HA       GLY  25  -3.956  -0.216   5.077
  194   2HA   GLY  25          1HA       GLY  25  -2.420   0.653   5.027
  195    H    THR  26           H        THR  26  -4.168   2.077   3.755
  196    HA   THR  26           HA       THR  26  -3.699   1.461   0.883
  197    HB   THR  26           HB       THR  26  -6.042   2.416   0.479
  198    HG1  THR  26           HG1      THR  26  -6.153   3.151   2.741
  199   1HG2  THR  26          1HG2      THR  26  -5.361  -0.237   1.682
  200   2HG2  THR  26          3HG2      THR  26  -7.057   0.140   1.391
  201   3HG2  THR  26          2HG2      THR  26  -5.913   0.143   0.052
  202    H    CYS  27           H        CYS  27  -3.875   3.430  -0.497
  203    HA   CYS  27           HA       CYS  27  -3.353   5.925   1.067
  204   1HB   CYS  27          2HB       CYS  27  -2.009   5.153  -1.536
  205   2HB   CYS  27          1HB       CYS  27  -1.647   6.553  -0.530
  206    H    PHE  28           H        PHE  28  -4.297   7.781   0.270
  207    HA   PHE  28           HA       PHE  28  -5.852   9.074  -0.900
  208   1HB   PHE  28          2HB       PHE  28  -5.048   7.365  -3.267
  209   2HB   PHE  28          1HB       PHE  28  -5.712   8.998  -3.305
  210    HD1  PHE  28           HD2      PHE  28  -4.372  10.818  -1.968
  211    HD2  PHE  28           HD1      PHE  28  -2.722   7.074  -3.278
  212    HE1  PHE  28           HE2      PHE  28  -2.086  11.757  -1.772
  213    HE2  PHE  28           HE1      PHE  28  -0.436   8.013  -3.082
  214    HZ   PHE  28           HZ       PHE  28  -0.117  10.355  -2.329
  215    H    GLY  29           H        GLY  29  -6.841   6.661   0.401
  216   1HA   GLY  29          2HA       GLY  29  -9.135   5.937   0.499
  217   2HA   GLY  29          1HA       GLY  29  -9.311   6.358  -1.206
  218    NH1  ARG  30           NH1      ARG  30  -9.619   2.634   1.429
  219    NH2  ARG  30           NH2      ARG  30  -9.530   0.451   2.058
  220    H    ARG  30           H        ARG  30  -9.807   4.459  -2.232
  221    HA   ARG  30           HA       ARG  30  -8.262   2.037  -1.469
  222   1HB   ARG  30          2HB       ARG  30 -11.002   2.533  -2.274
  223   2HB   ARG  30          1HB       ARG  30 -10.258   1.267  -3.251
  224   1HG   ARG  30          2HG       ARG  30 -10.361  -0.188  -1.543
  225   2HG   ARG  30          1HG       ARG  30  -9.505   0.936  -0.486
  226   1HD   ARG  30          2HD       ARG  30 -12.091   2.011  -0.788
  227   2HD   ARG  30          1HD       ARG  30 -12.332   0.283  -0.556
  228    HE   ARG  30           HE       ARG  30 -12.149   1.239   1.691
  229   1HH1  ARG  30          2HH1      ARG  30 -10.120   3.397   1.016
  230   2HH1  ARG  30          1HH1      ARG  30  -8.689   2.778   1.775
  231   1HH2  ARG  30          1HH2      ARG  30  -9.962  -0.451   2.122
  232   2HH2  ARG  30          2HH2      ARG  30  -8.603   0.585   2.412
  233    HA   PRO  31           HA       PRO  31  -7.582   2.650  -6.195
  234   1HB   PRO  31          2HB       PRO  31  -6.243   5.007  -6.672
  235   2HB   PRO  31          1HB       PRO  31  -7.997   4.818  -6.853
  236   1HG   PRO  31          2HG       PRO  31  -6.467   6.174  -4.680
  237   2HG   PRO  31          1HG       PRO  31  -8.107   6.495  -5.267
  238   1HD   PRO  31          2HD       PRO  31  -7.464   5.085  -2.918
  239   2HD   PRO  31          1HD       PRO  31  -9.043   5.078  -3.733
  240    H    VAL  32           H        VAL  32  -5.397   4.239  -3.841
  241    HA   VAL  32           HA       VAL  32  -3.183   2.567  -4.933
  242    HB   VAL  32           HB       VAL  32  -2.893   4.886  -3.018
  243   1HG1  VAL  32          3HG1      VAL  32  -1.039   3.138  -3.622
  244   2HG1  VAL  32          2HG1      VAL  32  -0.971   4.002  -5.157
  245   3HG1  VAL  32          1HG1      VAL  32  -0.636   4.854  -3.652
  246   1HG2  VAL  32          1HG2      VAL  32  -3.697   4.909  -5.829
  247   2HG2  VAL  32          3HG2      VAL  32  -3.658   6.235  -4.669
  248   3HG2  VAL  32          2HG2      VAL  32  -2.200   5.797  -5.559
  249    H    LYS  33           H        LYS  33  -2.017   1.227  -3.462
  250    HA   LYS  33           HA       LYS  33  -3.257   1.007  -0.754
  251   1HB   LYS  33          2HB       LYS  33  -2.427  -1.233  -2.616
  252   2HB   LYS  33          1HB       LYS  33  -2.913  -1.463  -0.936
  253   1HG   LYS  33          2HG       LYS  33  -5.123  -1.069  -1.375
  254   2HG   LYS  33          1HG       LYS  33  -4.769   0.136  -2.613
  255   1HD   LYS  33          2HD       LYS  33  -3.812  -2.423  -3.504
  256   2HD   LYS  33          1HD       LYS  33  -5.493  -2.583  -2.998
  257   1HE   LYS  33          2HE       LYS  33  -5.617  -1.929  -5.278
  258   2HE   LYS  33          1HE       LYS  33  -5.935  -0.452  -4.371
  259   1HZ   LYS  33          1HZ       LYS  33  -3.293  -1.252  -5.466
  260   2HZ   LYS  33          3HZ       LYS  33  -4.332  -0.109  -6.161
  261   3HZ   LYS  33          2HZ       LYS  33  -3.641   0.192  -4.643
  262    H    CYS  34           H        CYS  34  -1.817   0.176   0.901
  263    HA   CYS  34           HA       CYS  34   0.995   0.929   0.389
  264   1HB   CYS  34          2HB       CYS  34  -0.440   0.097   2.931
  265   2HB   CYS  34          1HB       CYS  34   1.242   0.620   2.848
  266    H    CYS  35           H        CYS  35   1.391  -0.934  -1.031
  267    HA   CYS  35           HA       CYS  35   1.292  -3.589   0.261
  268   1HB   CYS  35          2HB       CYS  35   2.245  -2.852  -2.519
  269   2HB   CYS  35          1HB       CYS  35   1.849  -4.466  -1.929
  270    NH1  ARG  36           NH2      ARG  36   7.034  -6.807   5.466
  271    NH2  ARG  36           NH1      ARG  36   6.558  -5.362   7.151
  272    H    ARG  36           H        ARG  36   3.126  -4.778   0.773
  273    HA   ARG  36           HA       ARG  36   5.679  -3.242   0.801
  274   1HB   ARG  36          2HB       ARG  36   4.466  -4.463   2.876
  275   2HB   ARG  36          1HB       ARG  36   5.403  -5.826   2.262
  276   1HG   ARG  36          2HG       ARG  36   7.386  -4.911   2.891
  277   2HG   ARG  36          1HG       ARG  36   6.894  -3.284   2.417
  278   1HD   ARG  36          2HD       ARG  36   7.228  -3.567   4.898
  279   2HD   ARG  36          1HD       ARG  36   5.619  -3.003   4.450
  280    HE   ARG  36           HE       ARG  36   4.767  -5.254   4.917
  281   1HH1  ARG  36          1HH2      ARG  36   6.941  -7.081   4.505
  282   2HH1  ARG  36          2HH2      ARG  36   7.594  -7.356   6.086
  283   1HH2  ARG  36          2HH1      ARG  36   6.102  -4.532   7.478
  284   2HH2  ARG  36          1HH1      ARG  36   7.114  -5.906   7.781
  285    H    SER  37           H        SER  37   7.551  -4.190  -0.100
  286    HA   SER  37           HA       SER  37   7.010  -6.388  -2.017
  287   1HB   SER  37          2HB       SER  37   9.714  -5.362  -2.075
  288   2HB   SER  37          1HB       SER  37   8.479  -5.301  -3.332
  289    HG   SER  37           HG       SER  37   8.826  -3.211  -2.796
  290    CH2  TRP  38           CH2      TRP  38   9.779  -4.076   6.026
  291    H    TRP  38           HN       TRP  38   7.484  -6.605   1.037
  292    HA   TRP  38           HA       TRP  38   9.072  -9.026   0.909
  293   1HB   TRP  38          2HB       TRP  38  10.725  -8.142   2.665
  294   2HB   TRP  38          1HB       TRP  38  10.976  -7.585   1.012
  295    HD1  TRP  38           HD1      TRP  38  10.174  -5.078   0.426
  296    HE1  TRP  38           HE1      TRP  38   9.901  -3.002   1.929
  297    HE3  TRP  38           HE3      TRP  38  10.125  -7.314   5.013
  298    HZ2  TRP  38           HZ2      TRP  38   9.696  -2.372   4.712
  299    HZ3  TRP  38           HZ3      TRP  38   9.893  -5.955   7.072
  300    HH2  TRP  38           HH2      TRP  38   9.678  -3.488   6.927
   
  Start of MODEL          20
 Raw file had  300 H/Q atoms
  Start of MODEL   20
    1   1H    ALA   1          2H        ALA   1   1.432  16.042   8.797
    2   2H    ALA   1          1H        ALA   1   0.333  17.313   8.548
    3   3H    ALA   1          3H        ALA   1  -0.006  16.116   9.700
    4    HA   ALA   1           HA       ALA   1  -1.331  15.685   7.783
    5   1HB   ALA   1          2HB       ALA   1   0.408  16.935   6.300
    6   2HB   ALA   1          1HB       ALA   1   1.202  15.362   6.185
    7   3HB   ALA   1          3HB       ALA   1  -0.450  15.559   5.602
    8    HA   PRO   2           HA       PRO   2  -0.566  11.473   8.654
    9   1HB   PRO   2          2HB       PRO   2  -2.023  10.305   6.631
   10   2HB   PRO   2          1HB       PRO   2  -2.744  11.042   8.070
   11   1HG   PRO   2          2HG       PRO   2  -2.638  12.081   5.282
   12   2HG   PRO   2          1HG       PRO   2  -3.810  12.421   6.566
   13   1HD   PRO   2          2HD       PRO   2  -1.701  14.120   5.769
   14   2HD   PRO   2          1HD       PRO   2  -2.657  14.271   7.258
   15    H    LEU   3           H        LEU   3   1.101  10.078   8.202
   16    HA   LEU   3           HA       LEU   3   2.750  10.546   5.849
   17   1HB   LEU   3          2HB       LEU   3   2.934   8.292   7.869
   18   2HB   LEU   3          1HB       LEU   3   4.193   8.807   6.747
   19    HG   LEU   3           HG       LEU   3   2.996  10.593   8.878
   20   1HD1  LEU   3          3HD1      LEU   3   4.884   8.450   9.107
   21   2HD1  LEU   3          2HD1      LEU   3   5.737   9.977   9.347
   22   3HD1  LEU   3          1HD1      LEU   3   4.347   9.576  10.356
   23   1HD2  LEU   3          1HD2      LEU   3   4.119  11.481   6.681
   24   2HD2  LEU   3          3HD2      LEU   3   4.602  12.174   8.226
   25   3HD2  LEU   3          2HD2      LEU   3   5.619  10.961   7.447
   26    H    SER   4           H        SER   4   2.216   9.725   3.895
   27    HA   SER   4           HA       SER   4   0.278   7.665   3.485
   28   1HB   SER   4          2HB       SER   4   2.330   7.909   1.393
   29   2HB   SER   4          1HB       SER   4   0.587   8.153   1.285
   30    HG   SER   4           HG       SER   4   2.059  10.055   1.043
   31    H    CYS   5           H        CYS   5   0.521   5.506   3.807
   32    HA   CYS   5           HA       CYS   5   1.536   3.437   4.182
   33   1HB   CYS   5          2HB       CYS   5   3.471   4.735   2.270
   34   2HB   CYS   5          1HB       CYS   5   3.803   3.144   2.949
   35    H    GLY   6           H        GLY   6   2.080   5.758   6.010
   36   1HA   GLY   6          2HA       GLY   6   4.846   5.286   6.897
   37   2HA   GLY   6          1HA       GLY   6   3.698   6.403   7.636
   38    NH1  ARG   7           NH2      ARG   7  -1.295   0.308   9.634
   39    NH2  ARG   7           NH1      ARG   7  -2.019  -0.354  11.685
   40    H    ARG   7           H        ARG   7   1.644   5.071   8.502
   41    HA   ARG   7           HA       ARG   7   2.652   3.378  10.615
   42   1HB   ARG   7          2HB       ARG   7   0.395   4.850  10.327
   43   2HB   ARG   7          1HB       ARG   7  -0.238   3.258   9.916
   44   1HG   ARG   7          2HG       ARG   7   1.501   3.547  12.344
   45   2HG   ARG   7          1HG       ARG   7  -0.185   4.059  12.434
   46   1HD   ARG   7          2HD       ARG   7   0.826   1.309  11.649
   47   2HD   ARG   7          1HD       ARG   7  -0.033   1.728  13.128
   48    HE   ARG   7           HE       ARG   7  -1.859   2.489  11.293
   49   1HH1  ARG   7          1HH2      ARG   7  -0.900   1.013   9.039
   50   2HH1  ARG   7          2HH2      ARG   7  -1.519  -0.592   9.257
   51   1HH2  ARG   7          2HH1      ARG   7  -2.178  -0.154  12.653
   52   2HH2  ARG   7          1HH1      ARG   7  -2.245  -1.258  11.320
   53    H    ASN   8           H        ASN   8   3.718   1.637   9.535
   54    HA   ASN   8           HA       ASN   8   3.874  -0.438   8.453
   55   1HB   ASN   8          2HB       ASN   8   0.996  -0.614   9.390
   56   2HB   ASN   8          1HB       ASN   8   1.967  -1.971   8.832
   57   1HD2  ASN   8          2HD2      ASN   8   3.816  -2.242  11.847
   58   2HD2  ASN   8          1HD2      ASN   8   3.695  -2.739  10.228
   59    H    GLY   9           H        GLY   9   3.800   1.222   6.522
   60   1HA   GLY   9          2HA       GLY   9   1.523   0.402   4.765
   61   2HA   GLY   9          1HA       GLY   9   2.258   1.999   4.684
   62    H    GLY  10           H        GLY  10   4.821   1.780   4.428
   63   1HA   GLY  10          2HA       GLY  10   6.632   0.592   3.328
   64   2HA   GLY  10          1HA       GLY  10   5.434  -0.443   2.547
   65    H    VAL  11           H        VAL  11   4.503   0.237   0.600
   66    HA   VAL  11           HA       VAL  11   5.304   2.943  -0.373
   67    HB   VAL  11           HB       VAL  11   6.870   1.412  -1.398
   68   1HG1  VAL  11          2HG1      VAL  11   4.408  -0.195  -2.137
   69   2HG1  VAL  11          1HG1      VAL  11   6.026  -0.511  -2.763
   70   3HG1  VAL  11          3HG1      VAL  11   5.697  -0.684  -1.040
   71   1HG2  VAL  11          2HG2      VAL  11   5.698   3.181  -2.822
   72   2HG2  VAL  11          1HG2      VAL  11   6.439   1.850  -3.710
   73   3HG2  VAL  11          3HG2      VAL  11   4.696   1.874  -3.453
   74    H    CYS  12           H        CYS  12   3.736   3.976  -1.604
   75    HA   CYS  12           HA       CYS  12   1.038   2.832  -1.487
   76   1HB   CYS  12          2HB       CYS  12   2.158   5.470  -2.460
   77   2HB   CYS  12          1HB       CYS  12   0.460   5.043  -2.653
   78    H    ILE  13           H        ILE  13   1.031   1.103  -2.993
   79    HA   ILE  13           HA       ILE  13   1.756   1.786  -5.797
   80    HB   ILE  13           HB       ILE  13   0.975  -0.949  -4.798
   81   1HG1  ILE  13          2HG1      ILE  13   3.686   0.407  -4.657
   82   2HG1  ILE  13          1HG1      ILE  13   2.739  -0.200  -3.298
   83   1HG2  ILE  13          1HG2      ILE  13   2.597   0.162  -7.097
   84   2HG2  ILE  13          3HG2      ILE  13   2.645  -1.541  -6.647
   85   3HG2  ILE  13          2HG2      ILE  13   1.130  -0.813  -7.178
   86   1HD1  ILE  13          1HD1      ILE  13   2.883  -2.494  -4.322
   87   2HD1  ILE  13          3HD1      ILE  13   4.002  -1.832  -5.513
   88   3HD1  ILE  13          2HD1      ILE  13   4.436  -1.842  -3.802
   89    HA   PRO  14           HA       PRO  14  -2.626   2.122  -6.486
   90   1HB   PRO  14          2HB       PRO  14  -2.373   2.921  -9.104
   91   2HB   PRO  14          1HB       PRO  14  -2.157   4.012  -7.725
   92   1HG   PRO  14          2HG       PRO  14  -0.094   2.821  -9.517
   93   2HG   PRO  14          1HG       PRO  14  -0.031   4.319  -8.574
   94   1HD   PRO  14          2HD       PRO  14   1.199   1.861  -7.877
   95   2HD   PRO  14          1HD       PRO  14   0.989   3.268  -6.812
   96    H    ILE  15           H        ILE  15  -4.082   1.262  -8.388
   97    HA   ILE  15           HA       ILE  15  -4.892  -0.647  -9.471
   98    HB   ILE  15           HB       ILE  15  -2.046  -1.103 -10.386
   99   1HG1  ILE  15          2HG1      ILE  15  -3.477   1.352 -10.541
  100   2HG1  ILE  15          1HG1      ILE  15  -1.968   0.936 -11.343
  101   1HG2  ILE  15          1HG2      ILE  15  -4.818  -1.643 -11.420
  102   2HG2  ILE  15          3HG2      ILE  15  -3.480  -1.485 -12.555
  103   3HG2  ILE  15          2HG2      ILE  15  -3.438  -2.734 -11.317
  104   1HD1  ILE  15          1HD1      ILE  15  -3.338  -0.148 -13.167
  105   2HD1  ILE  15          3HD1      ILE  15  -4.776   0.527 -12.395
  106   3HD1  ILE  15          2HD1      ILE  15  -3.535   1.600 -13.045
  107    NH1  ARG  16           NH2      ARG  16  -0.991  -8.777  -8.080
  108    NH2  ARG  16           NH1      ARG  16  -0.966  -9.333 -10.287
  109    H    ARG  16           H        ARG  16  -2.294  -2.749  -9.687
  110    HA   ARG  16           HA       ARG  16  -2.907  -3.899  -7.002
  111   1HB   ARG  16          2HB       ARG  16  -2.563  -6.163  -8.162
  112   2HB   ARG  16          1HB       ARG  16  -4.070  -5.318  -8.509
  113   1HG   ARG  16          2HG       ARG  16  -3.529  -4.999 -10.691
  114   2HG   ARG  16          1HG       ARG  16  -1.856  -4.593 -10.311
  115   1HD   ARG  16          2HD       ARG  16  -3.050  -7.374 -10.462
  116   2HD   ARG  16          1HD       ARG  16  -1.875  -6.670 -11.571
  117    HE   ARG  16           HE       ARG  16  -0.442  -6.516  -9.331
  118   1HH1  ARG  16          1HH2      ARG  16  -1.033  -8.078  -7.362
  119   2HH1  ARG  16          2HH2      ARG  16  -0.927  -9.744  -7.829
  120   1HH2  ARG  16          2HH1      ARG  16  -0.990  -9.057 -11.250
  121   2HH2  ARG  16          1HH1      ARG  16  -0.901 -10.303 -10.049
  122    H    CYS  17           H        CYS  17  -1.126  -4.530  -5.847
  123    HA   CYS  17           HA       CYS  17   1.500  -3.803  -6.866
  124   1HB   CYS  17          2HB       CYS  17   1.066  -5.452  -4.388
  125   2HB   CYS  17          1HB       CYS  17   2.279  -4.211  -4.692
  126    HA   PRO  18           HA       PRO  18   2.725  -7.721  -8.403
  127   1HB   PRO  18          2HB       PRO  18   5.402  -7.690  -7.774
  128   2HB   PRO  18          1HB       PRO  18   4.690  -6.733  -9.085
  129   1HG   PRO  18          2HG       PRO  18   5.635  -5.834  -6.401
  130   2HG   PRO  18          1HG       PRO  18   5.526  -4.921  -7.916
  131   1HD   PRO  18          2HD       PRO  18   3.704  -4.765  -5.761
  132   2HD   PRO  18          1HD       PRO  18   3.431  -4.141  -7.402
  133    H    VAL  19           H        VAL  19   3.526  -9.866  -7.745
  134    HA   VAL  19           HA       VAL  19   2.686 -10.669  -5.144
  135    HB   VAL  19           HB       VAL  19   3.987 -11.917  -7.481
  136   1HG1  VAL  19          2HG1      VAL  19   4.366 -13.086  -4.709
  137   2HG1  VAL  19          1HG1      VAL  19   4.693 -13.929  -6.220
  138   3HG1  VAL  19          3HG1      VAL  19   5.647 -12.515  -5.777
  139   1HG2  VAL  19          3HG2      VAL  19   1.569 -12.073  -5.984
  140   2HG2  VAL  19          2HG2      VAL  19   1.977 -12.919  -7.476
  141   3HG2  VAL  19          1HG2      VAL  19   2.336 -13.660  -5.917
  142    HA   PRO  20           HA       PRO  20   3.104 -12.204  -3.720
  143   1HB   PRO  20          2HB       PRO  20   3.258 -11.956  -0.988
  144   2HB   PRO  20          1HB       PRO  20   4.203 -13.128  -1.922
  145   1HG   PRO  20          2HG       PRO  20   5.099 -10.585  -0.649
  146   2HG   PRO  20          1HG       PRO  20   6.034 -12.043  -1.020
  147   1HD   PRO  20          2HD       PRO  20   6.044  -9.643  -2.519
  148   2HD   PRO  20          1HD       PRO  20   6.702 -11.205  -3.048
  149    H    MET  21           H        MET  21   3.723  -8.886  -3.054
  150    HA   MET  21           HA       MET  21   2.297  -7.074  -2.695
  151   1HB   MET  21          2HB       MET  21   1.021  -7.937  -4.571
  152   2HB   MET  21          1HB       MET  21   0.231  -9.126  -3.539
  153   1HG   MET  21          2HG       MET  21  -0.973  -7.447  -2.351
  154   2HG   MET  21          1HG       MET  21   0.027  -6.156  -3.018
  155   1HE   MET  21          3HE       MET  21  -1.996  -9.164  -3.811
  156   2HE   MET  21          2HE       MET  21  -3.359  -8.092  -3.494
  157   3HE   MET  21          1HE       MET  21  -3.103  -8.723  -5.118
  158    NH1  ARG  22           NH1      ARG  22   0.575 -11.239   0.302
  159    NH2  ARG  22           NH2      ARG  22   1.949 -12.752   1.293
  160    H    ARG  22           H        ARG  22   2.768  -7.077  -0.396
  161    HA   ARG  22           HA       ARG  22   0.712  -8.424   1.290
  162   1HB   ARG  22          2HB       ARG  22   3.478  -8.125   1.607
  163   2HB   ARG  22          1HB       ARG  22   2.778  -6.967   2.739
  164   1HG   ARG  22          2HG       ARG  22   2.581  -8.766   4.115
  165   2HG   ARG  22          1HG       ARG  22   1.163  -9.140   3.137
  166   1HD   ARG  22          2HD       ARG  22   3.973 -10.205   2.729
  167   2HD   ARG  22          1HD       ARG  22   2.566 -11.122   3.263
  168    HE   ARG  22           HE       ARG  22   2.934 -10.028   0.507
  169   1HH1  ARG  22          2HH1      ARG  22   0.375 -10.294   0.031
  170   2HH1  ARG  22          1HH1      ARG  22  -0.075 -11.968   0.081
  171   1HH2  ARG  22          1HH2      ARG  22   2.798 -12.965   1.780
  172   2HH2  ARG  22          2HH2      ARG  22   1.302 -13.487   1.077
  173    H    GLN  23           H        GLN  23  -1.005  -6.939   0.864
  174    HA   GLN  23           HA       GLN  23  -0.682  -4.084   1.123
  175   1HB   GLN  23          2HB       GLN  23  -2.622  -5.554   0.037
  176   2HB   GLN  23          1HB       GLN  23  -3.328  -5.383   1.644
  177   1HG   GLN  23          2HG       GLN  23  -2.344  -2.825   0.926
  178   2HG   GLN  23          1HG       GLN  23  -3.209  -3.443  -0.481
  179   1HE2  GLN  23          2HE2      GLN  23  -5.388  -3.213   3.012
  180   2HE2  GLN  23          1HE2      GLN  23  -3.768  -3.716   3.087
  181    H    ILE  24           H        ILE  24  -0.055  -3.226   3.040
  182    HA   ILE  24           HA       ILE  24  -1.276  -4.343   5.527
  183    HB   ILE  24           HB       ILE  24   0.677  -3.120   6.653
  184   1HG1  ILE  24          2HG1      ILE  24   1.713  -3.142   3.798
  185   2HG1  ILE  24          1HG1      ILE  24   1.226  -1.693   4.681
  186   1HG2  ILE  24          3HG2      ILE  24   0.424  -5.655   5.822
  187   2HG2  ILE  24          2HG2      ILE  24   1.790  -5.183   4.809
  188   3HG2  ILE  24          1HG2      ILE  24   1.909  -5.063   6.565
  189   1HD1  ILE  24          2HD1      ILE  24   3.292  -3.589   5.792
  190   2HD1  ILE  24          1HD1      ILE  24   3.737  -2.291   4.685
  191   3HD1  ILE  24          3HD1      ILE  24   2.995  -1.911   6.237
  192    H    GLY  25           H        GLY  25  -1.552  -1.765   3.413
  193   1HA   GLY  25          2HA       GLY  25  -3.194  -0.282   5.289
  194   2HA   GLY  25          1HA       GLY  25  -1.696   0.566   4.898
  195    H    THR  26           H        THR  26  -3.494   2.088   3.997
  196    HA   THR  26           HA       THR  26  -3.926   1.343   1.138
  197    HB   THR  26           HB       THR  26  -6.071   2.721   1.341
  198    HG1  THR  26           HG1      THR  26  -5.972   3.737   3.221
  199   1HG2  THR  26          1HG2      THR  26  -5.501   0.025   2.421
  200   2HG2  THR  26          3HG2      THR  26  -7.053   0.715   2.893
  201   3HG2  THR  26          2HG2      THR  26  -6.659   0.521   1.186
  202    H    CYS  27           H        CYS  27  -4.288   3.369  -0.227
  203    HA   CYS  27           HA       CYS  27  -2.942   5.759   0.931
  204   1HB   CYS  27          2HB       CYS  27  -2.169   4.329  -1.623
  205   2HB   CYS  27          1HB       CYS  27  -1.644   5.964  -1.230
  206    H    PHE  28           H        PHE  28  -4.106   7.540   0.470
  207    HA   PHE  28           HA       PHE  28  -5.707   8.940  -0.501
  208   1HB   PHE  28          2HB       PHE  28  -5.077   7.470  -3.068
  209   2HB   PHE  28          1HB       PHE  28  -5.652   9.127  -2.886
  210    HD1  PHE  28           HD2      PHE  28  -4.119  10.621  -1.256
  211    HD2  PHE  28           HD1      PHE  28  -2.798   7.166  -3.438
  212    HE1  PHE  28           HE2      PHE  28  -1.776  11.417  -1.101
  213    HE2  PHE  28           HE1      PHE  28  -0.455   7.963  -3.281
  214    HZ   PHE  28           HZ       PHE  28   0.056  10.088  -2.113
  215    H    GLY  29           H        GLY  29  -6.704   6.524   0.671
  216   1HA   GLY  29          2HA       GLY  29  -9.008   5.829   0.784
  217   2HA   GLY  29          1HA       GLY  29  -9.198   6.280  -0.911
  218    NH1  ARG  30           NH1      ARG  30  -7.751  -1.056  -0.837
  219    NH2  ARG  30           NH2      ARG  30  -8.650  -1.839   1.094
  220    H    ARG  30           H        ARG  30  -9.830   4.364  -1.846
  221    HA   ARG  30           HA       ARG  30  -8.273   1.928  -1.197
  222   1HB   ARG  30          2HB       ARG  30 -10.876   2.252  -2.697
  223   2HB   ARG  30          1HB       ARG  30 -10.101   0.714  -2.318
  224   1HG   ARG  30          2HG       ARG  30 -10.920   2.763  -0.238
  225   2HG   ARG  30          1HG       ARG  30 -11.886   1.354  -0.674
  226   1HD   ARG  30          2HD       ARG  30  -9.103   1.352   0.531
  227   2HD   ARG  30          1HD       ARG  30 -10.590   0.785   1.290
  228    HE   ARG  30           HE       ARG  30 -10.542  -0.860  -0.820
  229   1HH1  ARG  30          2HH1      ARG  30  -7.829  -0.503  -1.669
  230   2HH1  ARG  30          1HH1      ARG  30  -6.907  -1.562  -0.652
  231   1HH2  ARG  30          1HH2      ARG  30  -9.416  -1.884   1.739
  232   2HH2  ARG  30          2HH2      ARG  30  -7.807  -2.346   1.286
  233    HA   PRO  31           HA       PRO  31  -7.726   2.560  -5.941
  234   1HB   PRO  31          2HB       PRO  31  -6.441   4.939  -6.463
  235   2HB   PRO  31          1HB       PRO  31  -8.195   4.720  -6.593
  236   1HG   PRO  31          2HG       PRO  31  -6.628   6.107  -4.467
  237   2HG   PRO  31          1HG       PRO  31  -8.289   6.400  -5.009
  238   1HD   PRO  31          2HD       PRO  31  -7.557   5.010  -2.677
  239   2HD   PRO  31          1HD       PRO  31  -9.158   4.970  -3.444
  240    H    VAL  32           H        VAL  32  -5.426   4.370  -3.852
  241    HA   VAL  32           HA       VAL  32  -3.260   2.626  -4.899
  242    HB   VAL  32           HB       VAL  32  -2.926   4.974  -3.027
  243   1HG1  VAL  32          3HG1      VAL  32  -1.155   3.603  -5.071
  244   2HG1  VAL  32          2HG1      VAL  32  -0.707   5.063  -4.190
  245   3HG1  VAL  32          1HG1      VAL  32  -0.970   3.553  -3.318
  246   1HG2  VAL  32          3HG2      VAL  32  -3.279   4.940  -6.029
  247   2HG2  VAL  32          2HG2      VAL  32  -4.135   5.929  -4.847
  248   3HG2  VAL  32          1HG2      VAL  32  -2.438   6.250  -5.203
  249    H    LYS  33           H        LYS  33  -2.020   1.351  -3.391
  250    HA   LYS  33           HA       LYS  33  -3.247   1.164  -0.672
  251   1HB   LYS  33          2HB       LYS  33  -2.737  -0.994  -2.696
  252   2HB   LYS  33          1HB       LYS  33  -2.673  -1.378  -0.977
  253   1HG   LYS  33          2HG       LYS  33  -4.921  -1.760  -1.407
  254   2HG   LYS  33          1HG       LYS  33  -4.968  -0.068  -0.914
  255   1HD   LYS  33          2HD       LYS  33  -6.271  -0.499  -2.999
  256   2HD   LYS  33          1HD       LYS  33  -4.962   0.654  -3.244
  257   1HE   LYS  33          2HE       LYS  33  -3.944  -1.996  -3.670
  258   2HE   LYS  33          1HE       LYS  33  -5.411  -1.792  -4.625
  259   1HZ   LYS  33          1HZ       LYS  33  -4.355   0.457  -5.250
  260   2HZ   LYS  33          3HZ       LYS  33  -2.901  -0.254  -4.736
  261   3HZ   LYS  33          2HZ       LYS  33  -3.789  -0.958  -6.003
  262    H    CYS  34           H        CYS  34  -1.826   0.273   0.950
  263    HA   CYS  34           HA       CYS  34   1.005   0.945   0.437
  264   1HB   CYS  34          2HB       CYS  34  -0.630   0.379   2.905
  265   2HB   CYS  34          1HB       CYS  34   1.128   0.368   2.965
  266    H    CYS  35           H        CYS  35   1.815  -0.808  -0.744
  267    HA   CYS  35           HA       CYS  35   1.379  -3.521   0.396
  268   1HB   CYS  35          2HB       CYS  35   2.351  -2.522  -2.282
  269   2HB   CYS  35          1HB       CYS  35   2.552  -4.205  -1.792
  270    NH1  ARG  36           NH1      ARG  36   7.392  -5.990   5.284
  271    NH2  ARG  36           NH2      ARG  36   8.345  -4.351   6.537
  272    H    ARG  36           H        ARG  36   3.106  -4.745   1.137
  273    HA   ARG  36           HA       ARG  36   5.837  -3.630   0.891
  274   1HB   ARG  36          2HB       ARG  36   4.371  -3.129   3.169
  275   2HB   ARG  36          1HB       ARG  36   5.229  -4.609   3.598
  276   1HG   ARG  36          2HG       ARG  36   7.351  -3.498   2.758
  277   2HG   ARG  36          1HG       ARG  36   6.431  -1.998   2.648
  278   1HD   ARG  36          2HD       ARG  36   7.754  -2.418   4.827
  279   2HD   ARG  36          1HD       ARG  36   6.073  -1.907   4.984
  280    HE   ARG  36           HE       ARG  36   5.492  -4.149   5.669
  281   1HH1  ARG  36          2HH1      ARG  36   6.656  -6.304   4.677
  282   2HH1  ARG  36          1HH1      ARG  36   8.129  -6.618   5.538
  283   1HH2  ARG  36          1HH2      ARG  36   8.338  -3.413   6.886
  284   2HH2  ARG  36          2HH2      ARG  36   9.086  -4.973   6.794
  285    H    SER  37           H        SER  37   7.222  -5.393   2.402
  286    HA   SER  37           HA       SER  37   8.084  -7.568   2.303
  287   1HB   SER  37          2HB       SER  37   5.290  -8.635   2.144
  288   2HB   SER  37          1HB       SER  37   6.648  -9.198   3.117
  289    HG   SER  37           HG       SER  37   4.739  -7.794   4.010
  290    CH2  TRP  38           CH2      TRP  38   9.037  -1.767  -0.158
  291    H    TRP  38           HN       TRP  38   8.109  -6.380  -0.136
  292    HA   TRP  38           HA       TRP  38   6.822  -8.220  -2.063
  293   1HB   TRP  38          2HB       TRP  38   7.803  -6.652  -3.772
  294   2HB   TRP  38          1HB       TRP  38   6.695  -5.874  -2.644
  295    HD1  TRP  38           HD1      TRP  38  10.478  -6.386  -3.181
  296    HE1  TRP  38           HE1      TRP  38  11.720  -4.377  -2.146
  297    HE3  TRP  38           HE3      TRP  38   6.544  -3.903  -1.082
  298    HZ2  TRP  38           HZ2      TRP  38  11.123  -2.025  -0.628
  299    HZ3  TRP  38           HZ3      TRP  38   6.906  -1.785   0.151
  300    HH2  TRP  38           HH2      TRP  38   9.188  -0.844   0.381
   
   
  No H/Q in entry =         300