*HEADER    TRANSCRIPTION                           31-DEC-04   1YFB
*TITLE     THE SOLUTION STRUCTURE OF THE N-DOMAIN OF THE TRANSCRIPTION
*TITLE    2 FACTOR ABRB
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: TRANSITION STATE REGULATORY PROTEIN ABRB;
*COMPND   3 CHAIN: A, B;
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN;
*COMPND   5 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;
*SOURCE   3 ORGANISM_COMMON: BACTERIA;
*SOURCE   4 GENE: ABRB;
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET30B
*KEYWDS    NMR; HOMODIMER; BIOINFORMATICS; SWAPPED-HAIRPIN BARREL
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR    V.TRUFFAULT, S.DJURANOVIC, M.COLES
*REVDAT   1   12-APR-05 1YFB    0
                                                                                                          


! S5

assign(segid A and resid 5  and name HN   )(segid A and resid 6  and name HN   ) 3.2 0.0 5.0 !

! T6

assign(segid A and resid 6  and name HN   )(segid A and resid 5  and name HA   ) 2.7 0.0 5.0 !
assign(segid A and resid 6  and name HN   )(segid A and resid 6  and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 6  and name HN   )(segid A and resid 6  and name HB   ) 0.0 0.0 3.2 !
assign(segid A and resid 6  and name HN   )(segid A and resid 6  and name HG2+ ) 0.0 0.0 4.8 !

assign(segid A and resid 6  and name HN   )(segid A and resid 7  and name HN   ) 0.0 0.0 2.7 !

! G7

assign(segid A and resid 7  and name HN   )(segid A and resid 6  and name HA   ) 2.7 0.0 5.0 !
assign(segid A and resid 7  and name HN   )(segid A and resid 7  and name HA1  ) 0.0 0.0 3.2 !
assign(segid A and resid 7  and name HN   )(segid A and resid 7  and name HA2  ) 0.0 0.0 3.2 !

assign(segid A and resid 7  and name HN   )(segid A and resid 6  and name HB   ) 2.7 0.0 1.3 !

assign(segid A and resid 7  and name HN   )(segid A and resid 8  and name HN   ) 2.7 0.0 1.3 !


! I8

assign(segid A and resid 8  and name HN   )(segid A and resid 7  and name HA+  ) 0.0 0.0 3.5 !
assign(segid A and resid 8  and name HN   )(segid A and resid 8  and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 8  and name HN   )(segid A and resid 8  and name HB   ) 0.0 0.0 2.7 !

assign(segid A and resid 8  and name HN   )(segid A and resid 9  and name HN   ) 3.2 0.0 5.0 !


! V9

assign(segid A and resid 9  and name HN   )(segid A and resid 8  and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 9  and name HN   )(segid A and resid 9  and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 9  and name HN   )(segid A and resid 8  and name HB   ) 0.0 0.0 4.0 !
assign(segid A and resid 9  and name HN   )(segid A and resid 8  and name HG2+ ) 0.0 0.0 4.0 !

assign(segid A and resid 9  and name HN   )(segid A and resid 9  and name HB   ) 0.0 0.0 2.7 !
assign(segid A and resid 9  and name HN   )(segid A and resid 9  and name HG2+ ) 0.0 0.0 3.5 !


assign(segid A and resid 9  and name HG2+ )(segid A and resid 8  and name HA   ) 0.0 0.0 5.6 !
assign(segid A and resid 9  and name HG1+ )(segid A and resid 9  and name HA   ) 0.0 0.0 3.5 !
assign(segid A and resid 9  and name HG2+ )(segid A and resid 9  and name HA   ) 0.0 0.0 3.5 !




! R10

assign(segid A and resid 10 and name HN   )(segid A and resid 9  and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 10 and name HN   )(segid A and resid 10 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 10 and name HN   )(segid A and resid 9  and name HB   ) 0.0 0.0 4.0 !
assign(segid A and resid 10 and name HN   )(segid A and resid 9  and name HG1+ ) 0.0 0.0 4.0 !
assign(segid A and resid 10 and name HN   )(segid A and resid 9  and name HG2+ ) 0.0 0.0 4.8 !

assign(segid A and resid 10 and name HN   )(segid A and resid 10 and name HB1  ) 0.0 0.0 3.2 !
assign(segid A and resid 10 and name HN   )(segid A and resid 10 and name HB2  ) 0.0 0.0 4.0 !

assign(segid A and resid 10 and name HN   )(segid A and resid 10 and name HB+  ) 0.0 0.0 4.8 !

assign(segid A and resid 10 and name HN   )(segid A and resid 11 and name HN   ) 3.2 0.0 5.0 !


! K11

assign(segid A and resid 11 and name HN   )(segid A and resid 10 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 11 and name HN   )(segid A and resid 11 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 11 and name HN   )(segid A and resid 11 and name HB+  ) 0.0 0.0 4.0 !

assign(segid A and resid 11 and name HN   )(segid A and resid 12 and name HN   ) 3.2 0.0 5.0 !


! V12

assign(segid A and resid 12 and name HN   )(segid A and resid 11 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 12 and name HN   )(segid A and resid 12 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 12 and name HN   )(segid A and resid 11 and name HB+  ) 0.0 0.0 4.0 !

assign(segid A and resid 12 and name HN   )(segid A and resid 12 and name HB   ) 0.0 0.0 3.2 !
assign(segid A and resid 12 and name HN   )(segid A and resid 12 and name HG2+ ) 0.0 0.0 4.0 !

assign(segid A and resid 12 and name HN   )(segid A and resid 13 and name HN   ) 3.2 0.0 5.0 !


! D13

assign(segid A and resid 13 and name HN   )(segid A and resid 12 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 13 and name HN   )(segid A and resid 13 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 13 and name HN   )(segid A and resid 12 and name HG1+ ) 0.0 0.0 4.8 !

assign(segid A and resid 13 and name HN   )(segid A and resid 13 and name HB1  ) 0.0 0.0 3.2 !
assign(segid A and resid 13 and name HN   )(segid A and resid 13 and name HB2  ) 0.0 0.0 4.0 !

assign(segid A and resid 13 and name HN   )(segid A and resid 14 and name HN   ) 3.2 0.0 5.0 !


! E14

assign(segid A and resid 14 and name HN   )(segid A and resid 13 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 14 and name HN   )(segid A and resid 14 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 14 and name HN   )(segid A and resid 13 and name HB1  ) 0.0 0.0 3.2 !
assign(segid A and resid 14 and name HN   )(segid A and resid 13 and name HB2  ) 0.0 0.0 2.7 !

assign(segid A and resid 14 and name HN   )(segid A and resid 14 and name HB+  ) 0.0 0.0 4.0 !

assign(segid A and resid 14 and name HN   )(segid A and resid 15 and name HN   ) 0.0 0.0 3.2 !


! L15

assign(segid A and resid 15 and name HN   )(segid A and resid 14 and name HA   ) 3.2 0.0 5.0 !
assign(segid A and resid 15 and name HN   )(segid A and resid 15 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 15 and name HN   )(segid A and resid 14 and name HB+  ) 0.0 0.0 4.8 !

assign(segid A and resid 15 and name HN   )(segid A and resid 15 and name HB1  ) 0.0 0.0 3.2 !
assign(segid A and resid 15 and name HN   )(segid A and resid 15 and name HB2  ) 0.0 0.0 4.0 !

assign(segid A and resid 15 and name HN   )(segid A and resid 17 and name HD+  ) 0.0 0.0 4.8 !

assign(segid A and resid 15 and name HN   )(segid A and resid 16 and name HN   ) 0.0 0.0 2.7 !


! G16

assign(segid A and resid 16 and name HN   )(segid A and resid 15 and name HA   ) 2.7 0.0 5.0 !
assign(segid A and resid 16 and name HN   )(segid A and resid 16 and name HA2  ) 0.0 0.0 2.7 !
assign(segid A and resid 16 and name HN   )(segid A and resid 16 and name HA1  ) 2.7 0.0 5.0 !

assign(segid A and resid 16 and name HN   )(segid A and resid 12 and name HG1+ ) 0.0 0.0 4.8 !

assign(segid A and resid 16 and name HN   )(segid A and resid 17 and name HN   ) 0.0 0.0 2.7 !


! R17

assign(segid A and resid 17 and name HN   )(segid A and resid 16 and name HA1  ) 3.2 0.0 5.0 !
assign(segid A and resid 17 and name HN   )(segid A and resid 16 and name HA2  ) 0.0 0.0 2.7 !
assign(segid A and resid 17 and name HN   )(segid A and resid 17 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 17 and name HN   )(segid A and resid 15 and name HB1  ) 0.0 0.0 2.7 !
assign(segid A and resid 17 and name HN   )(segid A and resid 15 and name HD++ ) 0.0 0.0 5.5 !

assign(segid A and resid 17 and name HN   )(segid A and resid 17 and name HB1  ) 0.0 0.0 3.2 !
assign(segid A and resid 17 and name HN   )(segid A and resid 17 and name HB2  ) 0.0 0.0 4.0 !

assign(segid A and resid 17 and name HN   )(segid A and resid 17 and name HE   ) 0.0 0.0 4.0 !

assign(segid A and resid 17 and name HN   )(segid A and resid 18 and name HN   ) 3.2 0.0 5.0 !

assign(segid A and resid 17 and name HA   )(segid A and resid 17 and name HB1  ) 0.0 0.0 3.2 !
assign(segid A and resid 17 and name HA   )(segid A and resid 17 and name HB2  ) 0.0 0.0 2.7 !

! V18

assign(segid A and resid 18 and name HN   )(segid A and resid 17 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 18 and name HN   )(segid A and resid 18 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 18 and name HN   )(segid A and resid 17 and name HB1  ) 0.0 0.0 4.0 !
assign(segid A and resid 18 and name HN   )(segid A and resid 17 and name HB2  ) 0.0 0.0 5.0 !

assign(segid A and resid 18 and name HN   )(segid A and resid 18 and name HB   ) 3.2 0.0 5.0 !
assign(segid A and resid 18 and name HN   )(segid A and resid 18 and name HG1+ ) 0.0 0.0 3.5 !
assign(segid A and resid 18 and name HN   )(segid A and resid 18 and name HG2+ ) 0.0 0.0 3.5 !

assign(segid A and resid 18 and name HN   )(segid A and resid 19 and name HN   ) 3.2 0.0 5.0 !


! V19

assign(segid A and resid 19 and name HN   )(segid A and resid 18 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 19 and name HN   )(segid A and resid 19 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 19 and name HN   )(segid A and resid 19 and name HB   ) 0.0 0.0 2.7 !
assign(segid A and resid 19 and name HN   )(segid A and resid 19 and name HG2+ ) 0.0 0.0 3.5 !

assign(segid A and resid 18 and name HN   )(segid A and resid 19 and name HN   ) 3.2 0.0 5.0 !

assign(segid A and resid 19 and name HG1+ )(segid A and resid 19 and name HA   ) 0.0 0.0 3.5 !
assign(segid A and resid 19 and name HG2+ )(segid A and resid 19 and name HA   ) 0.0 0.0 3.5 !


! I20

assign(segid A and resid 20 and name HN   )(segid A and resid 20 and name HA   ) 2.7 0.0 5.0 !
assign(segid A and resid 20 and name HN   )(segid A and resid 19 and name HA   ) 0.0 0.0 2.7 !

assign(segid A and resid 20 and name HN   )(segid A and resid 19 and name HG1+ ) 0.0 0.0 4.0 !

assign(segid A and resid 20 and name HN   )(segid A and resid 20 and name HB   ) 0.0 0.0 3.2 !
assign(segid A and resid 20 and name HN   )(segid A and resid 20 and name HG11 ) 0.0 0.0 4.0 !
assign(segid A and resid 20 and name HN   )(segid A and resid 20 and name HG12 ) 0.0 0.0 4.0 !

assign(segid A and resid 20 and name HN   )(segid A and resid 21 and name HD1  ) 3.2 0.0 5.0 !
assign(segid A and resid 20 and name HN   )(segid A and resid 21 and name HD2  ) 3.2 0.0 5.0 !

! P21

assign(segid A and resid 21 and name HD+  )(segid A and resid 20 and name HG2+ ) 0.0 0.0 4.3 !
assign(segid A and resid 21 and name HD+  )(segid A and resid 20 and name HD1+ ) 0.0 0.0 6.6 !

! I22

assign(segid A and resid 22 and name HN   )(segid A and resid 21 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 22 and name HN   )(segid A and resid 22 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 22 and name HN   )(segid A and resid 21 and name HB1  ) 0.0 0.0 4.0 !

assign(segid A and resid 22 and name HN   )(segid A and resid 22 and name HB   ) 0.0 0.0 2.7 !
assign(segid A and resid 22 and name HN   )(segid A and resid 22 and name HG2+ ) 0.0 0.0 3.5 !

assign(segid A and resid 22 and name HN   )(segid A and resid 23 and name HN   ) 2.7 0.0 1.3 !

assign(segid A and resid 22 and name HA   )(segid A and resid 22 and name HB   ) 0.0 0.0 2.7 !
assign(segid A and resid 22 and name HA   )(segid A and resid 22 and name HG1+ ) 0.0 0.0 3.5 !
assign(segid A and resid 22 and name HA   )(segid A and resid 22 and name HD1+ ) 0.0 0.0 4.0 !

assign(segid A and resid 22 and name HA   )(segid A and resid 25 and name HB1  ) 0.0 0.0 4.0 !
assign(segid A and resid 22 and name HA   )(segid A and resid 25 and name HB2  ) 0.0 0.0 3.2 !
assign(segid A and resid 22 and name HA   )(segid A and resid 25 and name HG+  ) 0.0 0.0 4.8 !

! E23

assign(segid A and resid 23 and name HN   )(segid A and resid 21 and name HA   ) 0.0 0.0 4.0 !
assign(segid A and resid 23 and name HN   )(segid A and resid 22 and name HA   ) 3.2 0.0 5.0 !
assign(segid A and resid 23 and name HN   )(segid A and resid 23 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 23 and name HN   )(segid A and resid 24 and name HN   ) 0.0 0.0 2.7 !
assign(segid A and resid 23 and name HN   )(segid A and resid 25 and name HN   ) 0.0 0.0 4.0 !

assign(segid A and resid 23 and name HA   )(segid A and resid 22 and name HG2+ ) 0.0 0.0 4.8 !
assign(segid A and resid 23 and name HA   )(segid A and resid 26 and name HB+  ) 0.0 0.0 4.0 !

! L24

assign(segid A and resid 24 and name HN   )(segid A and resid 22 and name HA   ) 0.0 0.0 4.0 !
assign(segid A and resid 24 and name HN   )(segid A and resid 23 and name HA   ) 3.2 0.0 5.0 !
assign(segid A and resid 24 and name HN   )(segid A and resid 24 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 24 and name HN   )(segid A and resid 21 and name HB1  ) 0.0 0.0 5.0 !
assign(segid A and resid 24 and name HN   )(segid A and resid 21 and name HB2  ) 0.0 0.0 3.2 !

assign(segid A and resid 24 and name HN   )(segid A and resid 23 and name HB+  ) 0.0 0.0 4.0 !
assign(segid A and resid 24 and name HN   )(segid A and resid 23 and name HG+  ) 0.0 0.0 4.8 !

assign(segid A and resid 24 and name HN   )(segid A and resid 24 and name HB1  ) 0.0 0.0 3.2 !
assign(segid A and resid 24 and name HN   )(segid A and resid 24 and name HB2  ) 0.0 0.0 2.7 !
!assign(segid A and resid 24 and name HN   )(segid A and resid 24 and name HG   ) 0.0 0.0 3.2 !

assign(segid A and resid 24 and name HN   )(segid A and resid 25 and name HN   ) 0.0 0.0 2.7 !

! R25

assign(segid A and resid 25 and name HN   )(segid A and resid 22 and name HA   ) 0.0 0.0 4.0 !
assign(segid A and resid 25 and name HN   )(segid A and resid 24 and name HA   ) 3.2 0.0 5.0 !
assign(segid A and resid 25 and name HN   )(segid A and resid 25 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 25 and name HN   )(segid A and resid 20 and name HG2+ ) 0.0 0.0 4.8 !

assign(segid A and resid 25 and name HN   )(segid A and resid 24 and name HB1  ) 0.0 0.0 4.0 !
assign(segid A and resid 25 and name HN   )(segid A and resid 24 and name HB2  ) 0.0 0.0 4.0 !

assign(segid A and resid 25 and name HN   )(segid A and resid 25 and name HB1  ) 0.0 0.0 4.0 !
assign(segid A and resid 25 and name HN   )(segid A and resid 25 and name HB2  ) 0.0 0.0 3.2 !


assign(segid A and resid 25 and name HN   )(segid A and resid 23 and name HN   ) 0.0 0.0 4.0 !
assign(segid A and resid 25 and name HN   )(segid A and resid 26 and name HN   ) 0.0 0.0 2.7 !

!assign(segid A and resid 25 and name HD2  )(segid A and resid 20 and name HG2+ ) 0.0 0.0 4.0 !

assign(segid A and resid 25 and name HA   )(segid A and resid 25 and name HB1  ) 0.0 0.0 2.7 !
assign(segid A and resid 25 and name HA   )(segid A and resid 25 and name HB2  ) 0.0 0.0 3.2 !

assign(segid A and resid 25 and name HA   )(segid A and resid 28 and name HB+  ) 0.0 0.0 3.5 !


! R26

assign(segid A and resid 26 and name HN   )(segid A and resid 22 and name HA   ) 0.0 0.0 4.0 !
assign(segid A and resid 26 and name HN   )(segid A and resid 23 and name HA   ) 0.0 0.0 4.0 !
assign(segid A and resid 26 and name HN   )(segid A and resid 25 and name HA   ) 3.2 0.0 5.0 !
assign(segid A and resid 26 and name HN   )(segid A and resid 26 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 26 and name HN   )(segid A and resid 22 and name HG2+ ) 0.0 0.0 4.8 !

assign(segid A and resid 26 and name HN   )(segid A and resid 25 and name HB1  ) 0.0 0.0 4.0 !
assign(segid A and resid 26 and name HN   )(segid A and resid 25 and name HB2  ) 0.0 0.0 3.2 !

assign(segid A and resid 26 and name HN   )(segid A and resid 26 and name HB+  ) 0.0 0.0 3.5 !

assign(segid A and resid 26 and name HN   )(segid A and resid 24 and name HN   ) 0.0 0.0 4.0 !
assign(segid A and resid 26 and name HN   )(segid A and resid 27 and name HN   ) 0.0 0.0 2.7 !

! T27

assign(segid A and resid 27 and name HN   )(segid A and resid 24 and name HA   ) 0.0 0.0 4.0 !
assign(segid A and resid 27 and name HN   )(segid A and resid 26 and name HA   ) 3.2 0.0 5.0 !
assign(segid A and resid 27 and name HN   )(segid A and resid 27 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 27 and name HN   )(segid A and resid 26 and name HB+  ) 0.0 0.0 3.5 !
assign(segid A and resid 27 and name HN   )(segid A and resid 26 and name HG+  ) 0.0 0.0 4.8 !

assign(segid A and resid 27 and name HN   )(segid A and resid 27 and name HB   ) 0.0 0.0 3.2 !
assign(segid A and resid 27 and name HN   )(segid A and resid 27 and name HG2+ ) 0.0 0.0 4.0 !

assign(segid A and resid 27 and name HN   )(segid A and resid 28 and name HN   ) 0.0 0.0 2.7 !

! L28

assign(segid A and resid 28 and name HN   )(segid A and resid 25 and name HA   ) 0.0 0.0 4.0 !
assign(segid A and resid 28 and name HN   )(segid A and resid 27 and name HA   ) 3.2 0.0 5.0 !
assign(segid A and resid 28 and name HN   )(segid A and resid 28 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 28 and name HN   )(segid A and resid 27 and name HG2+ ) 0.0 0.0 4.8 !

assign(segid A and resid 28 and name HN   )(segid A and resid 28 and name HB1  ) 0.0 0.0 2.7 !
assign(segid A and resid 28 and name HN   )(segid A and resid 28 and name HB2  ) 0.0 0.0 2.7 !

assign(segid A and resid 28 and name HN   )(segid A and resid 29 and name HN   ) 0.0 0.0 2.7 !

! G29

assign(segid A and resid 29 and name HN   )(segid A and resid 26 and name HA   ) 0.0 0.0 4.0 !
assign(segid A and resid 29 and name HN   )(segid A and resid 28 and name HA   ) 3.2 0.0 5.0 !
assign(segid A and resid 29 and name HN   )(segid A and resid 29 and name HA1  ) 2.7 0.0 5.0 !
assign(segid A and resid 29 and name HN   )(segid A and resid 29 and name HA2  ) 0.0 0.0 2.7 !

assign(segid A and resid 29 and name HN   )(segid A and resid 28 and name HB+  ) 0.0 0.0 4.0 !

assign(segid A and resid 29 and name HN   )(segid A and resid 30 and name HN   ) 0.0 0.0 2.7 !

! I30

assign(segid A and resid 30 and name HN   )(segid A and resid 29 and name HA1  ) 2.7 0.0 5.0 !
assign(segid A and resid 30 and name HN   )(segid A and resid 29 and name HA2  ) 0.0 0.0 2.7 !
assign(segid A and resid 30 and name HN   )(segid A and resid 30 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 30 and name HN   )(segid A and resid 30 and name HB   ) 0.0 0.0 2.7 !

! A31

assign(segid A and resid 31 and name HN   )(segid A and resid 30 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 31 and name HN   )(segid A and resid 31 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 31 and name HN   )(segid A and resid 30 and name HB   ) 0.0 0.0 4.0 !

assign(segid A and resid 31 and name HN   )(segid A and resid 31 and name HB+  ) 0.0 0.0 3.5 !

assign(segid A and resid 31 and name HN   )(segid A and resid 34 and name HB1  ) 0.0 0.0 4.0 !
assign(segid A and resid 31 and name HN   )(segid A and resid 34 and name HB2  ) 0.0 0.0 3.2 !

assign(segid A and resid 31 and name HN   )(segid A and resid 32 and name HN   ) 3.2 0.0 5.0 !

assign(segid A and resid 31 and name HB+  )(segid A and resid 34 and name HB2  ) 0.0 0.0 4.0 !

! E32

assign(segid A and resid 32 and name HN   )(segid A and resid 31 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 32 and name HN   )(segid A and resid 32 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 32 and name HN   )(segid A and resid 31 and name HB+  ) 0.0 0.0 3.5 !

assign(segid A and resid 32 and name HN   )(segid A and resid 32 and name HB1  ) 0.0 0.0 2.7 !
assign(segid A and resid 32 and name HN   )(segid A and resid 32 and name HB2  ) 0.0 0.0 2.7 !

assign(segid A and resid 32 and name HN   )(segid A and resid 33 and name HN   ) 3.2 0.0 5.0 !


! K33

assign(segid A and resid 33 and name HN   )(segid A and resid 32 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 33 and name HN   )(segid A and resid 33 and name HA   ) 0.0 0.0 2.7 !

assign(segid A and resid 33 and name HN   )(segid A and resid 33 and name HB1  ) 0.0 0.0 4.0 !
assign(segid A and resid 33 and name HN   )(segid A and resid 33 and name HB2  ) 0.0 0.0 3.2 !

assign(segid A and resid 33 and name HN   )(segid A and resid 34 and name HN   ) 0.0 0.0 3.2 !


! D34

assign(segid A and resid 34 and name HN   )(segid A and resid 32 and name HA   ) 0.0 0.0 4.0 !
assign(segid A and resid 34 and name HN   )(segid A and resid 33 and name HA   ) 2.7 0.0 5.0 !
assign(segid A and resid 34 and name HN   )(segid A and resid 34 and name HA   ) 0.0 0.0 3.2 !

assign(segid A and resid 34 and name HN   )(segid A and resid 31 and name HB+  ) 0.0 0.0 4.8 !

assign(segid A and resid 34 and name HN   )(segid A and resid 33 and name HB1  ) 0.0 0.0 3.2 !
assign(segid A and resid 34 and name HN   )(segid A and resid 33 and name HB2  ) 0.0 0.0 5.0 !

assign(segid A and resid 34 and name HN   )(segid A and resid 34 and name HB1  ) 0.0 0.0 3.2 !
assign(segid A and resid 34 and name HN   )(segid A and resid 34 and name HB2  ) 0.0 0.0 4.0 !

assign(segid A and resid 34 and name HN   )(segid A and resid 35 and name HN   ) 3.2 0.0 5.0 !

! A35

assign(segid A and resid 35 and name HN   )(segid A and resid 34 and name HA   ) 2.7 0.0 5.0 !
assign(segid A and resid 35 and name HN   )(segid A and resid 35 and name HA   ) 0.0 0.0 3.2 !

assign(segid A and resid 35 and name HN   )(segid A and resid 34 and name HB1  ) 0.0 0.0 4.0 !
assign(segid A and resid 35 and name HN   )(segid A and resid 34 and name HB2  ) 0.0 0.0 2.7 !

assign(segid A and resid 35 and name HN   )(segid A and resid 35 and name HB+  ) 0.0 0.0 3.5 !


assign(segid A and resid 35 and name HN   )(segid A and resid 36 and name HN   ) 3.2 0.0 5.0 !

! L36

assign(segid A and resid 36 and name HN   )(segid A and resid 35 and name HA   ) 2.7 0.0 5.0 !
assign(segid A and resid 36 and name HN   )(segid A and resid 36 and name HA   ) 0.0 0.0 3.2 !

assign(segid A and resid 36 and name HN   )(segid A and resid 35 and name HB+  ) 0.0 0.0 4.0 !

assign(segid A and resid 36 and name HN   )(segid A and resid 36 and name HB1  ) 0.0 0.0 4.0 !
assign(segid A and resid 36 and name HN   )(segid A and resid 36 and name HB2  ) 0.0 0.0 3.2 !


assign(segid A and resid 36 and name HN   )(segid A and resid 37 and name HN   ) 3.2 0.0 5.0 !


! E37

assign(segid A and resid 37 and name HN   )(segid A and resid 36 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 37 and name HN   )(segid A and resid 37 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 37 and name HN   )(segid A and resid 48 and name HN   ) 0.0 0.0 3.2 !
assign(segid A and resid 37 and name HN   )(segid A and resid 49 and name HA   ) 0.0 0.0 4.0 !

assign(segid A and resid 37 and name HN   )(segid A and resid 50 and name HN   ) 0.0 0.0 5.0 !

assign(segid A and resid 37 and name HN   )(segid A and resid 36 and name HB1  ) 0.0 0.0 4.0 !
assign(segid A and resid 37 and name HN   )(segid A and resid 36 and name HB2  ) 0.0 0.0 4.0 !

assign(segid A and resid 37 and name HN   )(segid A and resid 37 and name HB1  ) 0.0 0.0 3.2 !
assign(segid A and resid 37 and name HN   )(segid A and resid 37 and name HB2  ) 0.0 0.0 4.0 !

assign(segid A and resid 37 and name HN   )(segid A and resid 50 and name HB1  ) 2.7 0.0 5.0 !
assign(segid A and resid 37 and name HN   )(segid A and resid 50 and name HB2  ) 2.7 0.0 2.3 !

assign(segid A and resid 37 and name HN   )(segid A and resid 38 and name HN   ) 3.2 0.0 5.0 !

! I38

assign(segid A and resid 38 and name HN   )(segid A and resid 37 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 38 and name HN   )(segid A and resid 38 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 38 and name HN   )(segid A and resid 37 and name HB1  ) 0.0 0.0 5.0 !
assign(segid A and resid 38 and name HN   )(segid A and resid 37 and name HB2  ) 0.0 0.0 4.0 !

assign(segid A and resid 38 and name HN   )(segid A and resid 38 and name HB   ) 0.0 0.0 2.7 !

assign(segid A and resid 38 and name HN   )(segid A and resid 39 and name HN   ) 3.2 0.0 5.0 !


! Y39

assign(segid A and resid 39 and name HN   )(segid A and resid 38 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 39 and name HN   )(segid A and resid 39 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 39 and name HN   )(segid A and resid 40 and name HN   ) 3.2 0.0 5.0 !


!assign(segid A and resid 39 and name HD1  )(segid A and resid 37 and name HB2  ) 0.0 0.0 3.2 !
assign(segid A and resid 39 and name HE1  )(segid A and resid 37 and name HB1  ) 0.0 0.0 4.0 !
assign(segid A and resid 39 and name HE1  )(segid A and resid 37 and name HB2  ) 0.0 0.0 3.2 !
assign(segid A and resid 39 and name HE1  )(segid A and resid 48 and name HB+  ) 0.0 0.0 5.8 !
assign(segid A and resid 39 and name HE1  )(segid A and resid 48 and name HG1  ) 0.0 0.0 3.2 !
assign(segid A and resid 39 and name HE1  )(segid A and resid 48 and name HG2  ) 0.0 0.0 3.2 !
assign(segid A and resid 39 and name HE1  )(segid A and resid 48 and name HD+  ) 0.0 0.0 5.8 !

assign(segid A and resid 39 and name HD2  )(segid A and resid 46 and name HB   ) 0.0 0.0 5.0 !
assign(segid A and resid 39 and name HE2  )(segid A and resid 46 and name HB   ) 0.0 0.0 5.0 !
assign(segid A and resid 39 and name HD2  )(segid A and resid 46 and name HG2+ ) 0.0 0.0 5.0 !
assign(segid A and resid 39 and name HE2  )(segid A and resid 46 and name HG2+ ) 0.0 0.0 5.0 !

assign(segid A and resid 39 and name HD1  )(segid A and resid 39 and name HB2  ) 0.0 0.0 2.7 !
assign(segid A and resid 39 and name HD2  )(segid A and resid 39 and name HB1  ) 0.0 0.0 2.7 !

assign(segid A and resid 39 and name HD1  )(segid A and resid 38 and name HA   ) 0.0 0.0 4.0 !
assign(segid A and resid 39 and name HD2  )(segid A and resid 40 and name HN   ) 0.0 0.0 4.0 !

!assign(segid A and resid 39 and name HE2  )(segid A and resid 41 and name HB+  ) 0.0 0.0 4.8 !

! V40

assign(segid A and resid 40 and name HN   )(segid A and resid 39 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 40 and name HN   )(segid A and resid 40 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 40 and name HN   )(segid A and resid 39 and name HB+  ) 0.0 0.0 3.5 !

assign(segid A and resid 40 and name HN   )(segid A and resid 40 and name HB   ) 0.0 0.0 3.2 !

assign(segid A and resid 40 and name HN   )(segid A and resid 41 and name HN   ) 3.2 0.0 5.0 !

assign(segid A and resid 40 and name HG2+ )(segid A and resid 45 and name HA   ) 0.0 0.0 4.0 !

! D41

assign(segid A and resid 41 and name HN   )(segid A and resid 40 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 41 and name HN   )(segid A and resid 41 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 41 and name HN   )(segid A and resid 40 and name HB   ) 0.0 0.0 4.0 !
assign(segid A and resid 41 and name HA   )(segid A and resid 40 and name HG1+ ) 0.0 0.0 4.0 !

assign(segid A and resid 41 and name HN   )(segid A and resid 41 and name HB+  ) 0.0 0.0 4.0 !

assign(segid A and resid 41 and name HN   )(segid A and resid 44 and name HN   ) 0.0 0.0 4.0 !
assign(segid A and resid 41 and name HN   )(segid A and resid 45 and name HA   ) 0.0 0.0 4.0 !

assign(segid A and resid 41 and name HN   )(segid A and resid 42 and name HN   ) 3.2 0.0 5.0 !

assign(segid A and resid 41 and name HA   )(segid A and resid 40 and name HB   ) 0.0 0.0 4.0 !
assign(segid A and resid 41 and name HA   )(segid A and resid 40 and name HG1+ ) 0.0 0.0 4.0 !


! D42

assign(segid A and resid 42 and name HN   )(segid A and resid 41 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 42 and name HN   )(segid A and resid 42 and name HA   ) 0.0 0.0 2.7 !

assign(segid A and resid 42 and name HN   )(segid A and resid 41 and name HB+  ) 0.0 0.0 4.0 !

assign(segid A and resid 42 and name HN   )(segid A and resid 42 and name HB1  ) 0.0 0.0 3.2 !
assign(segid A and resid 42 and name HN   )(segid A and resid 42 and name HB2  ) 0.0 0.0 3.2 !


!E43

assign(segid A and resid 43 and name HN   )(segid A and resid 42 and name HA   ) 2.7 0.0 5.0 !
assign(segid A and resid 43 and name HN   )(segid A and resid 43 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 43 and name HN   )(segid A and resid 42 and name HB1  ) 0.0 0.0 5.0 !
assign(segid A and resid 43 and name HN   )(segid A and resid 42 and name HB2  ) 0.0 0.0 4.0 !

assign(segid A and resid 43 and name HN   )(segid A and resid 43 and name HB+  ) 0.0 0.0 4.0 !

assign(segid A and resid 43 and name HN   )(segid A and resid 44 and name HN   ) 0.0 0.0 2.7 !


!K44

assign(segid A and resid 44 and name HN   )(segid A and resid 43 and name HA   ) 2.7 0.0 5.0 !
assign(segid A and resid 44 and name HN   )(segid A and resid 44 and name HA   ) 2.7 0.0 5.0 !


assign(segid A and resid 44 and name HN   )(segid A and resid 45 and name HN   ) 3.2 0.0 5.0 !


! I45

assign(segid A and resid 45 and name HN   )(segid A and resid 44 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 45 and name HN   )(segid A and resid 45 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 45 and name HN   )(segid A and resid 45 and name HB   ) 0.0 0.0 3.2 !
assign(segid A and resid 45 and name HN   )(segid A and resid 45 and name HD1+ ) 0.0 0.0 4.0 !

assign(segid A and resid 45 and name HN   )(segid A and resid 46 and name HN   ) 3.2 0.0 5.0 !


! I46

assign(segid A and resid 46 and name HN   )(segid A and resid 45 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 46 and name HN   )(segid A and resid 46 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 46 and name HN   )(segid A and resid 40 and name HA   ) 0.0 0.0 4.0 !

assign(segid A and resid 46 and name HN   )(segid A and resid 46 and name HB   ) 0.0 0.0 3.2 !
assign(segid A and resid 46 and name HN   )(segid A and resid 46 and name HD1+ ) 0.0 0.0 4.0 !

assign(segid A and resid 46 and name HN   )(segid A and resid 39 and name HN   ) 0.0 0.0 4.0 !

assign(segid A and resid 46 and name HN   )(segid A and resid 47 and name HN   ) 3.2 0.0 5.0 !


! L47

assign(segid A and resid 47 and name HN   )(segid A and resid 46 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 47 and name HN   )(segid A and resid 47 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 47 and name HN   )(segid A and resid 46 and name HG2+ ) 0.0 0.0 4.0 !

assign(segid A and resid 47 and name HN   )(segid A and resid 47 and name HB2  ) 0.0 0.0 3.2 !
assign(segid A and resid 47 and name HN   )(segid A and resid 47 and name HB1  ) 0.0 0.0 4.0 !

assign(segid A and resid 47 and name HN   )(segid A and resid 48 and name HN   ) 3.2 0.0 5.0 !


! K48

assign(segid A and resid 48 and name HN   )(segid A and resid 47 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 48 and name HN   )(segid A and resid 48 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 48 and name HN   )(segid A and resid 38 and name HA   ) 0.0 0.0 4.0 !

assign(segid A and resid 48 and name HN   )(segid A and resid 47 and name HB1  ) 0.0 0.0 4.0 !
assign(segid A and resid 48 and name HN   )(segid A and resid 47 and name HB2  ) 0.0 0.0 4.0 !
assign(segid A and resid 48 and name HN   )(segid A and resid 47 and name HG   ) 0.0 0.0 4.0 !

assign(segid A and resid 48 and name HN   )(segid A and resid 48 and name HB+  ) 0.0 0.0 4.0 !

assign(segid A and resid 48 and name HN   )(segid A and resid 49 and name HN   ) 3.2 0.0 5.0 !


! K49

assign(segid A and resid 49 and name HN   )(segid A and resid 48 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 49 and name HN   )(segid A and resid 49 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 49 and name HN   )(segid A and resid 48 and name HB+  ) 0.0 0.0 4.8 !
assign(segid A and resid 49 and name HN   )(segid A and resid 48 and name HG+  ) 0.0 0.0 4.8 !

assign(segid A and resid 49 and name HN   )(segid A and resid 49 and name HB1  ) 0.0 0.0 2.7 !
assign(segid A and resid 49 and name HN   )(segid A and resid 49 and name HB2  ) 0.0 0.0 2.7 !

assign(segid A and resid 49 and name HN   )(segid A and resid 50 and name HN   ) 3.2 0.0 5.0 !


! Y50

assign(segid A and resid 50 and name HN   )(segid A and resid 49 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 50 and name HN   )(segid A and resid 50 and name HA   ) 2.7 0.0 5.0 !

assign(segid A and resid 50 and name HN   )(segid A and resid 49 and name HB1  ) 0.0 0.0 4.0 !
assign(segid A and resid 50 and name HN   )(segid A and resid 49 and name HB2  ) 0.0 0.0 4.0 !

assign(segid A and resid 50 and name HN   )(segid A and resid 50 and name HB1  ) 0.0 0.0 3.2 !
assign(segid A and resid 50 and name HN   )(segid A and resid 50 and name HB2  ) 0.0 0.0 4.0 !

assign(segid A and resid 50 and name HN   )(segid A and resid 30 and name HD1+ ) 0.0 0.0 4.8 !

assign(segid A and resid 50 and name HN   )(segid A and resid 36 and name HA   ) 0.0 0.0 3.2 !
assign(segid A and resid 50 and name HN   )(segid A and resid 51 and name HN   ) 3.2 0.0 5.0 !

assign(segid A and resid 50 and name HD1  )(segid A and resid 35 and name HB+  ) 0.0 0.0 3.5 !
assign(segid A and resid 50 and name HE1  )(segid A and resid 35 and name HB+  ) 0.0 0.0 4.0 !

assign(segid A and resid 50 and name HD2  )(segid A and resid 37 and name HA   ) 0.0 0.0 5.0 !
assign(segid A and resid 50 and name HD2  )(segid A and resid 37 and name HB1  ) 0.0 0.0 3.2 !
assign(segid A and resid 50 and name HD2  )(segid A and resid 37 and name HB2  ) 0.0 0.0 4.0 !
assign(segid A and resid 50 and name HE2  )(segid A and resid 37 and name HB1  ) 0.0 0.0 4.0 !
assign(segid A and resid 50 and name HE2  )(segid A and resid 37 and name HB2  ) 0.0 0.0 5.0 !

assign(segid A and resid 50 and name HD2  )(segid A and resid 50 and name HA   ) 0.0 0.0 2.7 !

assign(segid A and resid 50 and name HE2  )(segid A and resid 52 and name HA   ) 0.0 0.0 4.0 !


! K51

assign(segid A and resid 51 and name HN   )(segid A and resid 50 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 51 and name HN   )(segid A and resid 51 and name HA   ) 2.7 0.0 5.0 !

! P52

assign(segid A and resid 52 and name HD1  )(segid A and resid 50 and name HN   ) 2.7 0.0 5.0 !
assign(segid A and resid 52 and name HD1  )(segid A and resid 50 and name HN   ) 2.7 0.0 5.0 !

! K51

assign(segid A and resid 53 and name HN   )(segid A and resid 52 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 53 and name HN   )(segid A and resid 53 and name HA   ) 2.7 0.0 5.0 !


! intermolecular


! V9

assign(segid A and resid 9 and name HG1+  )(segid A and resid 35 and name HB+  ) 0.0 0.0 4.3 !

assign(segid A and resid 9 and name HG2+  )(segid A and resid 37 and name HA   ) 0.0 0.0 4.0 !
assign(segid A and resid 9 and name HG1+  )(segid A and resid 37 and name HA   ) 0.0 0.0 4.8 !
assign(segid A and resid 9 and name HG2+  )(segid A and resid 37 and name HB2  ) 0.0 0.0 4.8 !

assign(segid A and resid 9 and name HG1+  )(segid A and resid 50 and name HB2  ) 0.0 0.0 4.8 !
assign(segid A and resid 9 and name HG2+  )(segid A and resid 50 and name HB2  ) 0.0 0.0 5.8 !
assign(segid A and resid 9 and name HG1+  )(segid A and resid 50 and name HB1  ) 0.0 0.0 5.8 !
assign(segid A and resid 9 and name HG2+  )(segid A and resid 50 and name HB1  ) 0.0 0.0 5.8 !


! R10

assign(segid A and resid 10 and name HN   )(segid A and resid 36 and name HD1+ ) 0.0 0.0 4.8 !

! V12

assign(segid A and resid 12 and name HN   )(segid A and resid 35 and name HA   ) 0.0 0.0 4.0 !
assign(segid A and resid 12 and name HN   )(segid A and resid 30 and name HD1+ ) 0.0 0.0 4.8 !

! R17

assign(segid A and resid 17 and name HA   )(segid A and resid 19 and name HA   ) 0.0 0.0 2.7 !
assign(segid A and resid 17 and name HA   )(segid A and resid 19 and name HG1+ ) 0.0 0.0 4.8 !

! V18

assign(segid A and resid 18 and name HN   )(segid A and resid 19 and name HA   ) 0.0 0.0 4.0 !

! V19

assign(segid A and resid 19 and name HA   )(segid A and resid 17 and name HB1  ) 0.0 0.0 4.0 !

! I20

assign(segid A and resid 20 and name HN   )(segid A and resid 16 and name HA1  ) 0.0 0.0 4.0 !
assign(segid A and resid 20 and name HN   )(segid A and resid 17 and name HA   ) 0.0 0.0 4.0 !


! R25

assign(segid A and resid 25 and name HD1  )(segid A and resid 15 and name HD++ ) 0.0 0.0 5.8 !

! A31

assign(segid A and resid 31 and name HN   )(segid A and resid 12 and name HG2+ ) 0.0 0.0 4.8 !

! K33

assign(segid A and resid 33 and name HN   )(segid A and resid 13 and name HA   ) 0.0 0.0 4.0 !
assign(segid A and resid 33 and name HN   )(segid A and resid 12 and name HG2+ ) 0.0 0.0 4.8 !

! D34

assign(segid A and resid 34 and name HN   )(segid A and resid 12 and name HG1+ ) 0.0 0.0 4.8 !

! A35

assign(segid A and resid 35 and name HN   )(segid A and resid 12 and name HG1+ ) 0.0 0.0 5.8 !

! L36


assign(segid A and resid 36 and name HN   )(segid A and resid 11 and name HA   ) 0.0 0.0 4.0 !
assign(segid A and resid 36 and name HN   )(segid A and resid  9 and name HG1+ ) 0.0 0.0 4.8 !

! I38

assign(segid A and resid 38 and name HN   )(segid A and resid  9 and name HA   ) 0.0 0.0 4.0 !


! I45

assign(segid A and resid 45 and name HN   )(segid B and resid 47 and name HN   ) 0.0 0.0 2.7 !

! Y50

assign(segid A and resid 50 and name HD1  )(segid A and resid 9 and name HG1+ ) 0.0 0.0 4.0 !
assign(segid A and resid 50 and name HD1  )(segid A and resid 9 and name HG2+ ) 0.0 0.0 4.0 !
assign(segid A and resid 50 and name HE1  )(segid A and resid 9 and name HG1+ ) 0.0 0.0 4.8 !
assign(segid A and resid 50 and name HE1  )(segid A and resid 9 and name HG2+ ) 0.0 0.0 4.8 !


! model

!assign(segid A and resid 25 and name HE   )(segid A and resid 20 and name O   ) 2.2 0.4 0.6 !
!assign(segid A and resid 25 and name HE   )(segid A and resid 20 and name O   ) 2.2 0.4 0.6 !
!assign(segid A and resid 25 and name CZ   )(segid A and resid 15 and name O   ) 2.2 0.4 0.6 !




!assign(segid A and resid 24 and name CD1  )(segid A and resid 40 and name CG1 ) 0.0 0.0 6.0 !

!assign(segid A and resid 28 and name CD1  )(segid A and resid 45 and name CG2 ) 0.0 0.0 4.3 !

!assign(segid A and resid 24 and name CD1  )(segid A and resid 45 and name CG2 ) 0.0 0.0 5.6 !

!assign(segid A and resid 24 and name CD1  )(segid A and resid 38 and name CG2 ) 0.0 0.0 5.6 !

!assign(segid A and resid 18 and name CG1  )(segid A and resid 38 and name CD1 ) 0.0 0.0 5.6 !

!assign(segid A and resid 18 and name CG2  )(segid A and resid 47 and name CD2 ) 0.0 0.0 5.6 !



  Entry H atom name         Submitted Coord H atom name
    1    H    PHE   2           H        PHE   2  11.388 -19.966  26.821
    2    HA   PHE   2           HA       PHE   2  10.163 -18.040  24.881
    3   1HB   PHE   2          1HB       PHE   2   8.084 -19.324  25.028
    4   2HB   PHE   2          2HB       PHE   2   9.393 -20.396  24.530
    5    HD1  PHE   2           HD1      PHE   2   7.005 -19.569  27.168
    6    HD2  PHE   2           HD2      PHE   2  10.427 -21.963  26.162
    7    HE1  PHE   2           HE1      PHE   2   6.574 -21.013  29.138
    8    HE2  PHE   2           HE2      PHE   2   9.996 -23.407  28.132
    9    HZ   PHE   2           HZ       PHE   2   8.070 -22.932  29.620
   10    H    MET   3           H        MET   3   8.365 -16.789  25.904
   11    HA   MET   3           HA       MET   3   8.937 -16.280  28.784
   12   1HB   MET   3          1HB       MET   3   7.447 -14.762  26.617
   13   2HB   MET   3          2HB       MET   3   7.659 -14.178  28.268
   14   1HG   MET   3          1HG       MET   3  10.140 -14.371  27.958
   15   2HG   MET   3          2HG       MET   3   9.854 -14.785  26.268
   16   1HE   MET   3          1HE       MET   3   8.358 -13.606  24.834
   17   2HE   MET   3          2HE       MET   3   8.340 -11.857  24.627
   18   3HE   MET   3          3HE       MET   3   7.171 -12.622  25.701
   19    H    LYS   4           H        LYS   4   7.370 -16.634  30.353
   20    HA   LYS   4           HA       LYS   4   4.960 -18.138  29.524
   21   1HB   LYS   4          1HB       LYS   4   6.553 -18.832  31.352
   22   2HB   LYS   4          2HB       LYS   4   6.020 -17.427  32.276
   23   1HG   LYS   4          1HG       LYS   4   3.684 -18.265  32.166
   24   2HG   LYS   4          2HG       LYS   4   4.256 -19.696  31.308
   25   1HD   LYS   4          1HD       LYS   4   5.753 -20.199  33.255
   26   2HD   LYS   4          2HD       LYS   4   5.015 -18.849  34.118
   27   1HE   LYS   4          1HE       LYS   4   2.751 -20.050  33.541
   28   2HE   LYS   4          2HE       LYS   4   3.782 -21.479  33.325
   29   1HZ   LYS   4          1HZ       LYS   4   4.525 -21.390  35.488
   30   2HZ   LYS   4          2HZ       LYS   4   2.913 -20.889  35.683
   31   3HZ   LYS   4          3HZ       LYS   4   4.167 -19.742  35.669
   32    H    SER   5           H        SER   5   2.904 -17.290  29.610
   33    HA   SER   5           HA       SER   5   2.559 -14.586  30.872
   34   1HB   SER   5          1HB       SER   5   0.900 -14.190  29.106
   35   2HB   SER   5          2HB       SER   5   2.428 -14.675  28.378
   36    HG   SER   5           HG       SER   5   0.759 -15.865  27.463
   37    H    THR   6           H        THR   6   0.470 -14.268  31.941
   38    HA   THR   6           HA       THR   6  -0.393 -16.488  33.510
   39    HB   THR   6           HB       THR   6  -2.132 -14.903  34.242
   40    HG1  THR   6           HG1      THR   6  -2.225 -12.886  33.092
   41   1HG2  THR   6          1HG2      THR   6   0.361 -13.312  33.637
   42   2HG2  THR   6          2HG2      THR   6   0.349 -14.610  34.830
   43   3HG2  THR   6          3HG2      THR   6  -0.688 -13.201  35.050
   44    H    GLY   7           H        GLY   7  -1.647 -15.118  30.487
   45   1HA   GLY   7          1HA       GLY   7  -3.103 -16.083  28.913
   46   2HA   GLY   7          2HA       GLY   7  -2.954 -17.597  29.807
   47    H    ILE   8           H        ILE   8  -4.207 -14.411  30.853
   48    HA   ILE   8           HA       ILE   8  -6.769 -15.818  31.571
   49    HB   ILE   8           HB       ILE   8  -5.496 -13.342  32.766
   50   1HG1  ILE   8          1HG1      ILE   8  -5.573 -16.177  33.845
   51   2HG1  ILE   8          2HG1      ILE   8  -4.154 -15.429  33.111
   52   1HG2  ILE   8          1HG2      ILE   8  -8.102 -14.500  32.980
   53   2HG2  ILE   8          2HG2      ILE   8  -7.459 -13.095  33.831
   54   3HG2  ILE   8          3HG2      ILE   8  -7.276 -14.706  34.524
   55   1HD1  ILE   8          1HD1      ILE   8  -4.117 -13.707  34.835
   56   2HD1  ILE   8          2HD1      ILE   8  -4.136 -15.293  35.607
   57   3HD1  ILE   8          3HD1      ILE   8  -5.612 -14.330  35.532
   58    H    VAL   9           H        VAL   9  -8.632 -14.978  30.667
   59    HA   VAL   9           HA       VAL   9  -8.306 -12.525  28.982
   60    HB   VAL   9           HB       VAL   9 -10.057 -14.978  28.682
   61   1HG1  VAL   9          1HG1      VAL   9 -10.531 -12.428  27.693
   62   2HG1  VAL   9          2HG1      VAL   9 -11.183 -13.926  27.027
   63   3HG1  VAL   9          3HG1      VAL   9  -9.704 -13.234  26.360
   64   1HG2  VAL   9          1HG2      VAL   9  -8.544 -15.681  27.007
   65   2HG2  VAL   9          2HG2      VAL   9  -7.486 -15.066  28.276
   66   3HG2  VAL   9          3HG2      VAL   9  -7.824 -14.076  26.854
   67    H    ARG  10           H        ARG  10  -9.907 -10.936  29.052
   68    HA   ARG  10           HA       ARG  10 -12.171 -11.351  30.976
   69   1HB   ARG  10          1HB       ARG  10 -10.295  -9.977  31.897
   70   2HB   ARG  10          2HB       ARG  10 -10.490  -8.856  30.549
   71   1HG   ARG  10          1HG       ARG  10 -11.719  -7.917  32.378
   72   2HG   ARG  10          2HG       ARG  10 -12.917  -8.596  31.276
   73   1HD   ARG  10          1HD       ARG  10 -12.990 -10.668  32.667
   74   2HD   ARG  10          2HD       ARG  10 -11.865  -9.906  33.809
   75    HE   ARG  10           HE       ARG  10 -13.912  -8.035  33.431
   76   1HH1  ARG  10          1HH1      ARG  10 -13.591 -11.305  34.498
   77   2HH1  ARG  10          2HH1      ARG  10 -14.946 -11.222  35.573
   78   1HH2  ARG  10          1HH2      ARG  10 -15.679  -7.917  34.830
   79   2HH2  ARG  10          2HH2      ARG  10 -16.126  -9.308  35.761
   80    H    LYS  11           H        LYS  11 -14.071  -9.992  30.449
   81    HA   LYS  11           HA       LYS  11 -14.462  -9.760  27.547
   82   1HB   LYS  11          1HB       LYS  11 -16.120 -10.665  29.222
   83   2HB   LYS  11          2HB       LYS  11 -16.284  -9.028  29.858
   84   1HG   LYS  11          1HG       LYS  11 -17.055  -8.222  27.685
   85   2HG   LYS  11          2HG       LYS  11 -16.808  -9.820  26.979
   86   1HD   LYS  11          1HD       LYS  11 -19.159  -9.601  27.502
   87   2HD   LYS  11          2HD       LYS  11 -18.452 -10.731  28.658
   88   1HE   LYS  11          1HE       LYS  11 -19.436  -9.397  30.235
   89   2HE   LYS  11          2HE       LYS  11 -18.081  -8.295  29.918
   90   1HZ   LYS  11          1HZ       LYS  11 -19.821  -6.932  29.396
   91   2HZ   LYS  11          2HZ       LYS  11 -20.827  -8.206  28.893
   92   3HZ   LYS  11          3HZ       LYS  11 -19.578  -7.654  27.881
   93    H    VAL  12           H        VAL  12 -14.820  -7.819  26.420
   94    HA   VAL  12           HA       VAL  12 -13.616  -5.401  27.579
   95    HB   VAL  12           HB       VAL  12 -15.072  -5.693  24.942
   96   1HG1  VAL  12          1HG1      VAL  12 -13.343  -3.731  26.206
   97   2HG1  VAL  12          2HG1      VAL  12 -14.296  -3.590  24.729
   98   3HG1  VAL  12          3HG1      VAL  12 -12.672  -4.273  24.668
   99   1HG2  VAL  12          1HG2      VAL  12 -13.627  -7.298  24.309
  100   2HG2  VAL  12          2HG2      VAL  12 -12.811  -7.225  25.870
  101   3HG2  VAL  12          3HG2      VAL  12 -12.305  -6.158  24.560
  102    H    ASP  13           H        ASP  13 -14.792  -3.780  28.558
  103    HA   ASP  13           HA       ASP  13 -17.723  -4.001  28.652
  104   1HB   ASP  13          1HB       ASP  13 -17.515  -2.625  30.508
  105   2HB   ASP  13          2HB       ASP  13 -15.900  -3.329  30.470
  106    H    GLU  14           H        GLU  14 -18.726  -1.534  28.578
  107    HA   GLU  14           HA       GLU  14 -19.071  -1.023  25.856
  108   1HB   GLU  14          1HB       GLU  14 -19.385   0.795  28.263
  109   2HB   GLU  14          2HB       GLU  14 -20.111   1.103  26.685
  110   1HG   GLU  14          1HG       GLU  14 -21.298  -1.075  26.828
  111   2HG   GLU  14          2HG       GLU  14 -20.618  -1.320  28.437
  112    H    LEU  15           H        LEU  15 -16.804   0.633  28.072
  113    HA   LEU  15           HA       LEU  15 -16.068   2.584  26.031
  114   1HB   LEU  15          1HB       LEU  15 -16.139   3.174  28.379
  115   2HB   LEU  15          2HB       LEU  15 -14.993   1.893  28.777
  116    HG   LEU  15           HG       LEU  15 -13.217   2.992  27.601
  117   1HD1  LEU  15          1HD1      LEU  15 -14.009   3.889  25.631
  118   2HD1  LEU  15          2HD1      LEU  15 -13.969   5.366  26.593
  119   3HD1  LEU  15          3HD1      LEU  15 -15.487   4.494  26.380
  120   1HD2  LEU  15          1HD2      LEU  15 -12.893   4.741  29.062
  121   2HD2  LEU  15          2HD2      LEU  15 -14.304   4.024  29.841
  122   3HD2  LEU  15          3HD2      LEU  15 -14.497   5.415  28.773
  123    H    GLY  16           H        GLY  16 -15.085  -0.631  26.536
  124   1HA   GLY  16          1HA       GLY  16 -13.378  -1.798  25.359
  125   2HA   GLY  16          2HA       GLY  16 -12.797  -0.255  24.737
  126    H    ARG  17           H        ARG  17 -13.276  -1.345  28.109
  127    HA   ARG  17           HA       ARG  17 -10.424  -0.583  28.614
  128   1HB   ARG  17          1HB       ARG  17 -12.930  -0.571  30.325
  129   2HB   ARG  17          2HB       ARG  17 -11.323  -0.186  30.941
  130   1HG   ARG  17          1HG       ARG  17 -11.133   1.633  29.264
  131   2HG   ARG  17          2HG       ARG  17 -12.767   1.272  28.709
  132   1HD   ARG  17          1HD       ARG  17 -12.127   1.993  31.587
  133   2HD   ARG  17          2HD       ARG  17 -12.649   3.178  30.374
  134    HE   ARG  17           HE       ARG  17 -14.373   0.837  30.438
  135   1HH1  ARG  17          1HH1      ARG  17 -13.603   3.866  31.917
  136   2HH1  ARG  17          2HH1      ARG  17 -15.216   4.154  32.474
  137   1HH2  ARG  17          1HH2      ARG  17 -16.494   1.221  31.152
  138   2HH2  ARG  17          2HH2      ARG  17 -16.847   2.660  32.046
  139    H    VAL  18           H        VAL  18  -9.226  -1.947  30.091
  140    HA   VAL  18           HA       VAL  18 -10.372  -4.702  30.429
  141    HB   VAL  18           HB       VAL  18  -8.113  -5.517  29.942
  142   1HG1  VAL  18          1HG1      VAL  18  -8.578  -3.422  27.842
  143   2HG1  VAL  18          2HG1      VAL  18  -9.793  -4.674  28.097
  144   3HG1  VAL  18          3HG1      VAL  18  -8.149  -5.121  27.644
  145   1HG2  VAL  18          1HG2      VAL  18  -6.804  -3.187  29.005
  146   2HG2  VAL  18          2HG2      VAL  18  -6.364  -4.172  30.401
  147   3HG2  VAL  18          3HG2      VAL  18  -7.440  -2.788  30.601
  148    H    VAL  19           H        VAL  19  -9.682  -5.808  32.374
  149    HA   VAL  19           HA       VAL  19  -8.844  -3.904  34.523
  150    HB   VAL  19           HB       VAL  19 -10.319  -6.548  34.693
  151   1HG1  VAL  19          1HG1      VAL  19  -9.176  -4.871  36.653
  152   2HG1  VAL  19          2HG1      VAL  19 -10.289  -6.213  36.919
  153   3HG1  VAL  19          3HG1      VAL  19 -10.913  -4.575  36.722
  154   1HG2  VAL  19          1HG2      VAL  19 -11.231  -3.767  34.079
  155   2HG2  VAL  19          2HG2      VAL  19 -12.253  -4.757  35.120
  156   3HG2  VAL  19          3HG2      VAL  19 -11.858  -5.307  33.492
  157    H    ILE  20           H        ILE  20  -7.016  -4.345  35.712
  158    HA   ILE  20           HA       ILE  20  -5.357  -6.687  35.008
  159    HB   ILE  20           HB       ILE  20  -5.154  -4.170  36.638
  160   1HG1  ILE  20          1HG1      ILE  20  -3.165  -3.844  35.246
  161   2HG1  ILE  20          2HG1      ILE  20  -3.343  -5.467  34.579
  162   1HG2  ILE  20          1HG2      ILE  20  -3.932  -5.220  38.224
  163   2HG2  ILE  20          2HG2      ILE  20  -2.691  -5.397  36.980
  164   3HG2  ILE  20          3HG2      ILE  20  -3.836  -6.705  37.276
  165   1HD1  ILE  20          1HD1      ILE  20  -5.534  -4.848  33.636
  166   2HD1  ILE  20          2HD1      ILE  20  -4.272  -3.768  33.043
  167   3HD1  ILE  20          3HD1      ILE  20  -5.371  -3.227  34.311
  168    HA   PRO  21           HA       PRO  21  -7.123  -9.240  38.199
  169   1HB   PRO  21          1HB       PRO  21  -4.806 -10.790  38.539
  170   2HB   PRO  21          2HB       PRO  21  -6.125 -11.134  37.406
  171   1HG   PRO  21          1HG       PRO  21  -3.480  -9.918  36.909
  172   2HG   PRO  21          2HG       PRO  21  -4.495 -10.897  35.842
  173   1HD   PRO  21          1HD       PRO  21  -4.199  -8.214  35.560
  174   2HD   PRO  21          2HD       PRO  21  -5.676  -9.084  35.086
  175    H    ILE  22           H        ILE  22  -7.024  -9.165  40.471
  176    HA   ILE  22           HA       ILE  22  -5.636  -7.072  41.758
  177    HB   ILE  22           HB       ILE  22  -7.634  -8.462  42.520
  178   1HG1  ILE  22          1HG1      ILE  22  -6.998  -8.315  44.936
  179   2HG1  ILE  22          2HG1      ILE  22  -5.330  -8.020  44.445
  180   1HG2  ILE  22          1HG2      ILE  22  -6.292 -10.634  42.109
  181   2HG2  ILE  22          2HG2      ILE  22  -7.286 -10.558  43.563
  182   3HG2  ILE  22          3HG2      ILE  22  -5.544 -10.309  43.672
  183   1HD1  ILE  22          1HD1      ILE  22  -5.765  -5.881  43.774
  184   2HD1  ILE  22          2HD1      ILE  22  -7.126  -6.033  44.886
  185   3HD1  ILE  22          3HD1      ILE  22  -7.366  -6.293  43.158
  186    H    GLU  23           H        GLU  23  -4.628 -10.416  41.192
  187    HA   GLU  23           HA       GLU  23  -2.377 -10.528  42.924
  188   1HB   GLU  23          1HB       GLU  23  -3.402 -12.379  41.587
  189   2HB   GLU  23          2HB       GLU  23  -2.708 -11.666  40.130
  190   1HG   GLU  23          1HG       GLU  23  -0.441 -11.878  41.148
  191   2HG   GLU  23          2HG       GLU  23  -1.169 -12.692  42.533
  192    H    LEU  24           H        LEU  24  -2.778  -9.097  39.712
  193    HA   LEU  24           HA       LEU  24   0.056  -8.382  39.457
  194   1HB   LEU  24          1HB       LEU  24  -2.448  -7.758  37.868
  195   2HB   LEU  24          2HB       LEU  24  -0.821  -7.299  37.365
  196    HG   LEU  24           HG       LEU  24  -1.860 -10.112  37.809
  197   1HD1  LEU  24          1HD1      LEU  24  -1.982 -10.288  35.536
  198   2HD1  LEU  24          2HD1      LEU  24  -0.552  -9.288  35.284
  199   3HD1  LEU  24          3HD1      LEU  24  -2.112  -8.531  35.601
  200   1HD2  LEU  24          1HD2      LEU  24   0.637 -10.317  36.663
  201   2HD2  LEU  24          2HD2      LEU  24   0.297 -10.550  38.377
  202   3HD2  LEU  24          3HD2      LEU  24   0.860  -8.983  37.795
  203    H    ARG  25           H        ARG  25  -2.951  -6.840  40.495
  204    HA   ARG  25           HA       ARG  25  -2.087  -4.104  40.455
  205   1HB   ARG  25          1HB       ARG  25  -3.849  -5.622  42.423
  206   2HB   ARG  25          2HB       ARG  25  -3.790  -3.869  42.271
  207   1HG   ARG  25          1HG       ARG  25  -4.488  -4.147  39.854
  208   2HG   ARG  25          2HG       ARG  25  -4.760  -5.857  40.202
  209   1HD   ARG  25          1HD       ARG  25  -6.226  -4.997  42.184
  210   2HD   ARG  25          2HD       ARG  25  -6.237  -3.461  41.298
  211    HE   ARG  25           HE       ARG  25  -6.836  -5.268  39.337
  212   1HH1  ARG  25          1HH1      ARG  25  -8.039  -4.668  42.514
  213   2HH1  ARG  25          2HH1      ARG  25  -9.638  -5.221  42.151
  214   1HH2  ARG  25          1HH2      ARG  25  -8.915  -5.993  38.850
  215   2HH2  ARG  25          2HH2      ARG  25 -10.135  -5.970  40.080
  216    H    ARG  26           H        ARG  26  -1.744  -6.674  42.894
  217    HA   ARG  26           HA       ARG  26  -0.340  -5.004  44.803
  218   1HB   ARG  26          1HB       ARG  26  -0.556  -8.004  44.414
  219   2HB   ARG  26          2HB       ARG  26   0.087  -7.231  45.864
  220   1HG   ARG  26          1HG       ARG  26  -2.079  -6.025  46.138
  221   2HG   ARG  26          2HG       ARG  26  -2.716  -6.910  44.751
  222   1HD   ARG  26          1HD       ARG  26  -2.182  -9.060  45.977
  223   2HD   ARG  26          2HD       ARG  26  -1.808  -8.073  47.404
  224    HE   ARG  26           HE       ARG  26  -4.353  -7.309  46.274
  225   1HH1  ARG  26          1HH1      ARG  26  -2.726  -9.705  48.157
  226   2HH1  ARG  26          2HH1      ARG  26  -4.146 -10.162  49.036
  227   1HH2  ARG  26          1HH2      ARG  26  -6.209  -7.898  47.415
  228   2HH2  ARG  26          2HH2      ARG  26  -6.115  -9.141  48.617
  229    H    THR  27           H        THR  27   0.788  -7.545  42.536
  230    HA   THR  27           HA       THR  27   3.559  -7.357  43.198
  231    HB   THR  27           HB       THR  27   2.220  -8.137  40.588
  232    HG1  THR  27           HG1      THR  27   2.022 -10.141  41.511
  233   1HG2  THR  27          1HG2      THR  27   4.857  -8.952  41.840
  234   2HG2  THR  27          2HG2      THR  27   4.659  -7.926  40.420
  235   3HG2  THR  27          3HG2      THR  27   4.186  -9.623  40.353
  236    H    LEU  28           H        LEU  28   1.573  -5.488  40.948
  237    HA   LEU  28           HA       LEU  28   3.933  -4.254  39.694
  238   1HB   LEU  28          1HB       LEU  28   1.776  -4.910  38.534
  239   2HB   LEU  28          2HB       LEU  28   0.973  -3.613  39.423
  240    HG   LEU  28           HG       LEU  28   2.726  -2.036  38.457
  241   1HD1  LEU  28          1HD1      LEU  28   3.580  -4.605  37.314
  242   2HD1  LEU  28          2HD1      LEU  28   4.481  -3.100  37.492
  243   3HD1  LEU  28          3HD1      LEU  28   3.410  -3.328  36.110
  244   1HD2  LEU  28          1HD2      LEU  28   0.301  -2.865  37.474
  245   2HD2  LEU  28          2HD2      LEU  28   1.357  -3.154  36.091
  246   3HD2  LEU  28          3HD2      LEU  28   1.247  -1.541  36.794
  247    H    GLY  29           H        GLY  29   2.228  -3.708  42.551
  248   1HA   GLY  29          1HA       GLY  29   2.302  -1.917  44.061
  249   2HA   GLY  29          2HA       GLY  29   3.614  -1.255  43.080
  250    H    ILE  30           H        ILE  30   0.246  -1.920  42.159
  251    HA   ILE  30           HA       ILE  30   0.025   0.974  41.401
  252    HB   ILE  30           HB       ILE  30  -1.317  -1.491  40.262
  253   1HG1  ILE  30          1HG1      ILE  30   1.040  -1.509  39.717
  254   2HG1  ILE  30          2HG1      ILE  30   0.173  -0.949  38.286
  255   1HG2  ILE  30          1HG2      ILE  30  -2.720   0.458  39.957
  256   2HG2  ILE  30          2HG2      ILE  30  -1.933   0.108  38.418
  257   3HG2  ILE  30          3HG2      ILE  30  -1.340   1.422  39.433
  258   1HD1  ILE  30          1HD1      ILE  30   1.879   0.640  38.450
  259   2HD1  ILE  30          2HD1      ILE  30   1.854   0.629  40.213
  260   3HD1  ILE  30          3HD1      ILE  30   0.566   1.437  39.318
  261    H    ALA  31           H        ALA  31  -1.716   2.111  42.147
  262    HA   ALA  31           HA       ALA  31  -3.902   0.674  43.591
  263   1HB   ALA  31          1HB       ALA  31  -2.696   3.163  44.736
  264   2HB   ALA  31          2HB       ALA  31  -1.802   1.652  44.918
  265   3HB   ALA  31          3HB       ALA  31  -3.434   1.795  45.573
  266    H    GLU  32           H        GLU  32  -5.752   2.225  44.042
  267    HA   GLU  32           HA       GLU  32  -6.681   3.539  41.741
  268   1HB   GLU  32          1HB       GLU  32  -7.982   2.819  43.747
  269   2HB   GLU  32          2HB       GLU  32  -7.289   4.170  44.646
  270   1HG   GLU  32          1HG       GLU  32  -8.245   5.736  42.952
  271   2HG   GLU  32          2HG       GLU  32  -9.022   4.362  42.165
  272    H    LYS  33           H        LYS  33  -6.649   5.696  41.044
  273    HA   LYS  33           HA       LYS  33  -6.052   7.981  40.962
  274   1HB   LYS  33          1HB       LYS  33  -6.602   7.692  43.471
  275   2HB   LYS  33          2HB       LYS  33  -4.857   7.603  43.711
  276   1HG   LYS  33          1HG       LYS  33  -4.600   9.787  42.567
  277   2HG   LYS  33          2HG       LYS  33  -6.353   9.890  42.403
  278   1HD   LYS  33          1HD       LYS  33  -6.534   9.700  44.902
  279   2HD   LYS  33          2HD       LYS  33  -4.775   9.798  44.988
  280   1HE   LYS  33          1HE       LYS  33  -4.863  12.054  44.818
  281   2HE   LYS  33          2HE       LYS  33  -5.798  11.931  43.314
  282   1HZ   LYS  33          1HZ       LYS  33  -6.879  11.685  46.072
  283   2HZ   LYS  33          2HZ       LYS  33  -7.780  11.474  44.648
  284   3HZ   LYS  33          3HZ       LYS  33  -7.122  12.995  45.023
  285    H    ASP  34           H        ASP  34  -3.880   5.409  41.285
  286    HA   ASP  34           HA       ASP  34  -1.396   6.956  41.092
  287   1HB   ASP  34          1HB       ASP  34  -2.211   4.073  40.700
  288   2HB   ASP  34          2HB       ASP  34  -0.554   4.625  40.441
  289    H    ALA  35           H        ALA  35  -0.019   6.694  39.057
  290    HA   ALA  35           HA       ALA  35  -1.761   7.174  36.680
  291   1HB   ALA  35          1HB       ALA  35   1.170   7.774  36.787
  292   2HB   ALA  35          2HB       ALA  35   0.089   8.734  37.798
  293   3HB   ALA  35          3HB       ALA  35  -0.134   8.704  36.048
  294    H    LEU  36           H        LEU  36  -1.704   5.767  34.980
  295    HA   LEU  36           HA       LEU  36   0.437   3.665  34.907
  296   1HB   LEU  36          1HB       LEU  36  -2.236   3.749  33.477
  297   2HB   LEU  36          2HB       LEU  36  -1.199   2.345  33.722
  298    HG   LEU  36           HG       LEU  36  -2.332   3.876  36.060
  299   1HD1  LEU  36          1HD1      LEU  36  -3.830   1.534  35.732
  300   2HD1  LEU  36          2HD1      LEU  36  -3.747   2.235  34.116
  301   3HD1  LEU  36          3HD1      LEU  36  -4.394   3.182  35.456
  302   1HD2  LEU  36          1HD2      LEU  36  -1.891   0.939  36.060
  303   2HD2  LEU  36          2HD2      LEU  36  -1.529   2.130  37.310
  304   3HD2  LEU  36          3HD2      LEU  36  -0.438   1.931  35.938
  305    H    GLU  37           H        GLU  37   1.686   3.524  32.988
  306    HA   GLU  37           HA       GLU  37   1.092   5.574  30.882
  307   1HB   GLU  37          1HB       GLU  37   3.305   5.679  32.047
  308   2HB   GLU  37          2HB       GLU  37   3.642   4.044  31.476
  309   1HG   GLU  37          1HG       GLU  37   3.365   4.836  29.132
  310   2HG   GLU  37          2HG       GLU  37   3.139   6.476  29.741
  311    H    ILE  38           H        ILE  38   0.670   4.832  28.829
  312    HA   ILE  38           HA       ILE  38   0.421   1.877  28.511
  313    HB   ILE  38           HB       ILE  38  -1.003   4.193  27.160
  314   1HG1  ILE  38          1HG1      ILE  38  -1.958   2.328  29.357
  315   2HG1  ILE  38          2HG1      ILE  38  -1.432   3.991  29.619
  316   1HG2  ILE  38          1HG2      ILE  38  -0.809   1.466  26.452
  317   2HG2  ILE  38          2HG2      ILE  38  -1.941   2.656  25.808
  318   3HG2  ILE  38          3HG2      ILE  38  -2.398   1.661  27.191
  319   1HD1  ILE  38          1HD1      ILE  38  -4.014   3.313  29.147
  320   2HD1  ILE  38          2HD1      ILE  38  -3.466   3.604  27.496
  321   3HD1  ILE  38          3HD1      ILE  38  -3.331   4.879  28.707
  322    H    TYR  39           H        TYR  39   1.487   0.893  26.879
  323    HA   TYR  39           HA       TYR  39   3.026   2.561  24.925
  324   1HB   TYR  39          1HB       TYR  39   3.452  -0.049  26.363
  325   2HB   TYR  39          2HB       TYR  39   4.382   0.333  24.918
  326    HD1  TYR  39           HD1      TYR  39   3.317   2.003  28.120
  327    HD2  TYR  39           HD2      TYR  39   6.404   1.340  25.223
  328    HE1  TYR  39           HE1      TYR  39   4.879   3.367  29.490
  329    HE2  TYR  39           HE2      TYR  39   7.971   2.708  26.575
  330    HH   TYR  39           HH       TYR  39   7.197   4.827  28.695
  331    H    VAL  40           H        VAL  40   3.219   1.629  22.737
  332    HA   VAL  40           HA       VAL  40   1.250  -0.546  22.134
  333    HB   VAL  40           HB       VAL  40   1.753   2.015  20.589
  334   1HG1  VAL  40          1HG1      VAL  40   1.330  -0.176  19.273
  335   2HG1  VAL  40          2HG1      VAL  40   0.293   1.206  18.915
  336   3HG1  VAL  40          3HG1      VAL  40  -0.301  -0.099  19.942
  337   1HG2  VAL  40          1HG2      VAL  40   0.285   2.592  22.318
  338   2HG2  VAL  40          2HG2      VAL  40  -0.445   0.987  22.365
  339   3HG2  VAL  40          3HG2      VAL  40  -0.839   2.097  21.052
  340    H    ASP  41           H        ASP  41   2.373  -2.235  21.273
  341    HA   ASP  41           HA       ASP  41   4.451  -1.686  19.228
  342   1HB   ASP  41          1HB       ASP  41   6.115  -2.965  20.382
  343   2HB   ASP  41          2HB       ASP  41   5.442  -1.856  21.577
  344    H    ASP  42           H        ASP  42   4.570  -3.386  17.695
  345    HA   ASP  42           HA       ASP  42   3.707  -5.238  16.479
  346   1HB   ASP  42          1HB       ASP  42   5.389  -6.123  18.011
  347   2HB   ASP  42          2HB       ASP  42   4.187  -6.248  19.292
  348    H    GLU  43           H        GLU  43   1.508  -3.655  17.261
  349    HA   GLU  43           HA       GLU  43  -0.838  -3.827  17.475
  350   1HB   GLU  43          1HB       GLU  43  -0.081  -6.703  16.864
  351   2HB   GLU  43          2HB       GLU  43  -1.703  -6.030  16.709
  352   1HG   GLU  43          1HG       GLU  43  -0.833  -4.366  15.080
  353   2HG   GLU  43          2HG       GLU  43   0.759  -5.117  15.193
  354    H    LYS  44           H        LYS  44   1.128  -4.712  19.796
  355    HA   LYS  44           HA       LYS  44  -1.037  -5.860  21.523
  356   1HB   LYS  44          1HB       LYS  44   1.977  -6.209  21.576
  357   2HB   LYS  44          2HB       LYS  44   0.901  -6.798  22.843
  358   1HG   LYS  44          1HG       LYS  44  -0.335  -8.117  21.111
  359   2HG   LYS  44          2HG       LYS  44   0.869  -7.613  19.924
  360   1HD   LYS  44          1HD       LYS  44   2.650  -8.633  21.316
  361   2HD   LYS  44          2HD       LYS  44   1.425  -9.177  22.463
  362   1HE   LYS  44          1HE       LYS  44   1.341 -11.074  21.201
  363   2HE   LYS  44          2HE       LYS  44   0.455 -10.091  20.018
  364   1HZ   LYS  44          1HZ       LYS  44   2.639  -9.344  19.156
  365   2HZ   LYS  44          2HZ       LYS  44   2.368 -11.008  18.938
  366   3HZ   LYS  44          3HZ       LYS  44   3.398 -10.467  20.176
  367    H    ILE  45           H        ILE  45  -1.267  -4.872  23.594
  368    HA   ILE  45           HA       ILE  45  -0.085  -2.144  23.773
  369    HB   ILE  45           HB       ILE  45  -2.295  -3.523  25.333
  370   1HG1  ILE  45          1HG1      ILE  45  -2.566  -1.567  23.037
  371   2HG1  ILE  45          2HG1      ILE  45  -2.621  -3.316  22.811
  372   1HG2  ILE  45          1HG2      ILE  45  -0.935  -1.104  25.791
  373   2HG2  ILE  45          2HG2      ILE  45  -2.462  -1.610  26.514
  374   3HG2  ILE  45          3HG2      ILE  45  -2.463  -0.641  25.041
  375   1HD1  ILE  45          1HD1      ILE  45  -4.413  -1.858  24.764
  376   2HD1  ILE  45          2HD1      ILE  45  -4.558  -3.524  24.203
  377   3HD1  ILE  45          3HD1      ILE  45  -4.883  -2.190  23.097
  378    H    ILE  46           H        ILE  46   1.507  -1.723  25.262
  379    HA   ILE  46           HA       ILE  46   2.027  -3.743  27.413
  380    HB   ILE  46           HB       ILE  46   3.735  -1.749  25.895
  381   1HG1  ILE  46          1HG1      ILE  46   4.372  -4.640  26.364
  382   2HG1  ILE  46          2HG1      ILE  46   3.121  -4.227  25.189
  383   1HG2  ILE  46          1HG2      ILE  46   5.273  -3.342  27.724
  384   2HG2  ILE  46          2HG2      ILE  46   4.035  -2.473  28.630
  385   3HG2  ILE  46          3HG2      ILE  46   5.173  -1.582  27.614
  386   1HD1  ILE  46          1HD1      ILE  46   4.641  -2.871  23.923
  387   2HD1  ILE  46          2HD1      ILE  46   5.459  -4.405  24.229
  388   3HD1  ILE  46          3HD1      ILE  46   5.876  -2.978  25.178
  389    H    LEU  47           H        LEU  47   1.191  -3.056  29.347
  390    HA   LEU  47           HA       LEU  47   1.110  -0.113  29.902
  391   1HB   LEU  47          1HB       LEU  47  -0.347  -2.444  31.171
  392   2HB   LEU  47          2HB       LEU  47  -0.635  -0.745  31.522
  393    HG   LEU  47           HG       LEU  47  -1.073  -0.495  28.984
  394   1HD1  LEU  47          1HD1      LEU  47  -2.162  -2.889  28.336
  395   2HD1  LEU  47          2HD1      LEU  47  -0.804  -3.433  29.321
  396   3HD1  LEU  47          3HD1      LEU  47  -0.516  -2.432  27.898
  397   1HD2  LEU  47          1HD2      LEU  47  -2.942  -0.220  30.379
  398   2HD2  LEU  47          2HD2      LEU  47  -2.852  -1.874  30.985
  399   3HD2  LEU  47          3HD2      LEU  47  -3.434  -1.564  29.349
  400    H    LYS  48           H        LYS  48   2.365   0.668  31.542
  401    HA   LYS  48           HA       LYS  48   3.465  -1.215  33.578
  402   1HB   LYS  48          1HB       LYS  48   5.722  -0.421  33.130
  403   2HB   LYS  48          2HB       LYS  48   5.017  -1.014  31.628
  404   1HG   LYS  48          1HG       LYS  48   4.439   1.289  30.978
  405   2HG   LYS  48          2HG       LYS  48   5.135   1.901  32.475
  406   1HD   LYS  48          1HD       LYS  48   7.255   0.530  31.665
  407   2HD   LYS  48          2HD       LYS  48   6.508   0.743  30.081
  408   1HE   LYS  48          1HE       LYS  48   7.990   2.626  30.419
  409   2HE   LYS  48          2HE       LYS  48   6.339   3.237  30.642
  410   1HZ   LYS  48          1HZ       LYS  48   8.174   3.630  32.463
  411   2HZ   LYS  48          2HZ       LYS  48   7.710   2.070  32.952
  412   3HZ   LYS  48          3HZ       LYS  48   6.563   3.323  32.895
  413    H    LYS  49           H        LYS  49   4.520   0.057  35.403
  414    HA   LYS  49           HA       LYS  49   2.879   2.130  36.430
  415   1HB   LYS  49          1HB       LYS  49   4.471   0.709  37.691
  416   2HB   LYS  49          2HB       LYS  49   5.817   1.558  36.936
  417   1HG   LYS  49          1HG       LYS  49   5.066   3.669  37.933
  418   2HG   LYS  49          2HG       LYS  49   3.671   2.855  38.642
  419   1HD   LYS  49          1HD       LYS  49   5.362   3.037  40.359
  420   2HD   LYS  49          2HD       LYS  49   5.275   1.344  39.869
  421   1HE   LYS  49          1HE       LYS  49   7.236   1.626  38.420
  422   2HE   LYS  49          2HE       LYS  49   7.306   3.353  38.825
  423   1HZ   LYS  49          1HZ       LYS  49   8.761   2.272  40.322
  424   2HZ   LYS  49          2HZ       LYS  49   7.635   1.044  40.658
  425   3HZ   LYS  49          3HZ       LYS  49   7.362   2.626  41.214
  426    H    TYR  50           H        TYR  50   3.123   4.397  36.424
  427    HA   TYR  50           HA       TYR  50   4.641   5.435  34.083
  428   1HB   TYR  50          1HB       TYR  50   2.217   5.806  34.252
  429   2HB   TYR  50          2HB       TYR  50   2.432   6.584  35.817
  430    HD1  TYR  50           HD1      TYR  50   1.465   8.709  35.079
  431    HD2  TYR  50           HD2      TYR  50   4.880   7.015  33.107
  432    HE1  TYR  50           HE1      TYR  50   1.890  10.877  33.965
  433    HE2  TYR  50           HE2      TYR  50   5.308   9.184  31.989
  434    HH   TYR  50           HH       TYR  50   4.750  11.352  31.906
  435    H    LYS  51           H        LYS  51   6.498   6.547  34.421
  436    HA   LYS  51           HA       LYS  51   7.042   7.735  37.109
  437   1HB   LYS  51          1HB       LYS  51   8.553   6.225  35.323
  438   2HB   LYS  51          2HB       LYS  51   9.127   7.871  35.053
  439   1HG   LYS  51          1HG       LYS  51   9.063   7.886  37.743
  440   2HG   LYS  51          2HG       LYS  51   9.342   6.164  37.483
  441   1HD   LYS  51          1HD       LYS  51  11.271   6.719  36.018
  442   2HD   LYS  51          2HD       LYS  51  11.014   8.430  36.359
  443   1HE   LYS  51          1HE       LYS  51  11.164   7.673  38.878
  444   2HE   LYS  51          2HE       LYS  51  12.012   6.270  38.198
  445   1HZ   LYS  51          1HZ       LYS  51  13.312   8.463  38.719
  446   2HZ   LYS  51          2HZ       LYS  51  12.691   8.951  37.215
  447   3HZ   LYS  51          3HZ       LYS  51  13.667   7.564  37.324
  448    HA   PRO  52           HA       PRO  52   5.709  11.546  35.240
  449   1HB   PRO  52          1HB       PRO  52   6.734  13.162  37.276
  450   2HB   PRO  52          2HB       PRO  52   5.128  12.411  37.279
  451   1HG   PRO  52          1HG       PRO  52   7.607  11.577  38.667
  452   2HG   PRO  52          2HG       PRO  52   5.918  11.404  39.163
  453   1HD   PRO  52          1HD       PRO  52   7.408   9.340  38.219
  454   2HD   PRO  52          2HD       PRO  52   5.644   9.439  38.015
  455    H    ASN  53           H        ASN  53   6.767  13.126  33.987
  456    HA   ASN  53           HA       ASN  53   9.768  13.081  34.081
  457   1HB   ASN  53          1HB       ASN  53   7.816  13.364  31.773
  458   2HB   ASN  53          2HB       ASN  53   9.568  13.486  31.614
  459   1HD2  ASN  53          1HD2      ASN  53   8.098  11.430  30.261
  460   2HD2  ASN  53          2HD2      ASN  53   8.523   9.934  30.941
  461    H    PHE   2           H        PHE   2  12.207  -2.237  18.261
  462    HA   PHE   2           HA       PHE   2  13.148  -0.491  16.232
  463   1HB   PHE   2          1HB       PHE   2  10.977  -2.610  16.272
  464   2HB   PHE   2          2HB       PHE   2  11.652  -1.923  14.794
  465    HD1  PHE   2           HD1      PHE   2  12.192  -4.222  17.571
  466    HD2  PHE   2           HD2      PHE   2  14.073  -2.238  14.257
  467    HE1  PHE   2           HE1      PHE   2  14.093  -5.810  17.698
  468    HE2  PHE   2           HE2      PHE   2  15.973  -3.826  14.385
  469    HZ   PHE   2           HZ       PHE   2  15.983  -5.612  16.105
  470    H    MET   3           H        MET   3   9.986  -0.686  17.831
  471    HA   MET   3           HA       MET   3   9.084   1.679  16.221
  472   1HB   MET   3          1HB       MET   3   7.588  -0.531  17.667
  473   2HB   MET   3          2HB       MET   3   6.806   0.823  16.851
  474   1HG   MET   3          1HG       MET   3   7.979   0.148  14.737
  475   2HG   MET   3          2HG       MET   3   8.576  -1.282  15.578
  476   1HE   MET   3          1HE       MET   3   4.556   0.267  15.623
  477   2HE   MET   3          2HE       MET   3   4.666  -0.108  13.905
  478   3HE   MET   3          3HE       MET   3   5.894   0.906  14.658
  479    H    LYS   4           H        LYS   4   8.100   3.427  17.378
  480    HA   LYS   4           HA       LYS   4   8.974   3.665  20.199
  481   1HB   LYS   4          1HB       LYS   4   7.724   5.572  18.194
  482   2HB   LYS   4          2HB       LYS   4   8.279   6.041  19.801
  483   1HG   LYS   4          1HG       LYS   4  10.559   5.209  19.213
  484   2HG   LYS   4          2HG       LYS   4   9.983   4.881  17.578
  485   1HD   LYS   4          1HD       LYS   4   9.344   7.289  17.368
  486   2HD   LYS   4          2HD       LYS   4  10.065   7.583  18.951
  487   1HE   LYS   4          1HE       LYS   4  11.989   7.979  17.786
  488   2HE   LYS   4          2HE       LYS   4  12.074   6.215  17.606
  489   1HZ   LYS   4          1HZ       LYS   4  11.169   8.231  15.699
  490   2HZ   LYS   4          2HZ       LYS   4  10.301   6.771  15.735
  491   3HZ   LYS   4          3HZ       LYS   4  11.970   6.762  15.420
  492    H    SER   5           H        SER   5   7.530   3.805  21.929
  493    HA   SER   5           HA       SER   5   4.846   2.755  21.569
  494   1HB   SER   5          1HB       SER   5   4.799   2.894  23.970
  495   2HB   SER   5          2HB       SER   5   6.451   2.473  23.529
  496    HG   SER   5           HG       SER   5   6.819   4.829  23.580
  497    H    THR   6           H        THR   6   2.877   3.935  22.268
  498    HA   THR   6           HA       THR   6   2.603   6.534  21.074
  499    HB   THR   6           HB       THR   6   0.351   6.389  22.066
  500    HG1  THR   6           HG1      THR   6   1.161   4.025  23.353
  501   1HG2  THR   6          1HG2      THR   6   1.508   3.811  20.994
  502   2HG2  THR   6          2HG2      THR   6   0.648   5.062  20.097
  503   3HG2  THR   6          3HG2      THR   6  -0.220   4.050  21.252
  504    H    GLY   7           H        GLY   7   3.185   5.452  24.402
  505   1HA   GLY   7          1HA       GLY   7   3.980   6.675  26.245
  506   2HA   GLY   7          2HA       GLY   7   4.299   8.008  25.135
  507    H    ILE   8           H        ILE   8   1.227   6.380  25.979
  508    HA   ILE   8           HA       ILE   8   0.177   9.086  26.773
  509    HB   ILE   8           HB       ILE   8  -1.288   6.659  25.687
  510   1HG1  ILE   8          1HG1      ILE   8  -0.498   9.226  24.274
  511   2HG1  ILE   8          2HG1      ILE   8   0.322   7.679  24.063
  512   1HG2  ILE   8          1HG2      ILE   8  -2.084   9.344  26.668
  513   2HG2  ILE   8          2HG2      ILE   8  -3.007   7.842  26.627
  514   3HG2  ILE   8          3HG2      ILE   8  -2.848   8.820  25.168
  515   1HD1  ILE   8          1HD1      ILE   8  -1.924   6.698  23.406
  516   2HD1  ILE   8          2HD1      ILE   8  -1.262   7.870  22.266
  517   3HD1  ILE   8          3HD1      ILE   8  -2.549   8.347  23.374
  518    H    VAL   9           H        VAL   9  -0.660   9.245  28.847
  519    HA   VAL   9           HA       VAL   9  -0.717   6.712  30.447
  520    HB   VAL   9           HB       VAL   9  -0.099   9.587  31.194
  521   1HG1  VAL   9          1HG1      VAL   9  -0.114   8.982  33.383
  522   2HG1  VAL   9          2HG1      VAL   9   0.630   7.419  33.045
  523   3HG1  VAL   9          3HG1      VAL   9  -1.111   7.628  32.851
  524   1HG2  VAL   9          1HG2      VAL   9   1.489   7.294  30.257
  525   2HG2  VAL   9          2HG2      VAL   9   2.097   8.002  31.754
  526   3HG2  VAL   9          3HG2      VAL   9   1.915   9.005  30.314
  527    H    ARG  10           H        ARG  10  -2.461   6.339  31.816
  528    HA   ARG  10           HA       ARG  10  -4.684   8.353  31.805
  529   1HB   ARG  10          1HB       ARG  10  -5.053   6.420  30.263
  530   2HB   ARG  10          2HB       ARG  10  -4.879   5.326  31.637
  531   1HG   ARG  10          1HG       ARG  10  -7.233   5.662  31.347
  532   2HG   ARG  10          2HG       ARG  10  -6.767   6.622  32.752
  533   1HD   ARG  10          1HD       ARG  10  -6.592   8.637  31.288
  534   2HD   ARG  10          2HD       ARG  10  -7.169   7.660  29.923
  535    HE   ARG  10           HE       ARG  10  -9.007   7.205  31.984
  536   1HH1  ARG  10          1HH1      ARG  10  -7.763   9.892  30.204
  537   2HH1  ARG  10          2HH1      ARG  10  -9.223  10.814  30.329
  538   1HH2  ARG  10          1HH2      ARG  10 -10.914   8.401  32.153
  539   2HH2  ARG  10          2HH2      ARG  10 -11.004   9.973  31.431
  540    H    LYS  11           H        LYS  11  -6.062   8.205  33.754
  541    HA   LYS  11           HA       LYS  11  -4.492   7.581  36.153
  542   1HB   LYS  11          1HB       LYS  11  -5.968   9.594  35.800
  543   2HB   LYS  11          2HB       LYS  11  -7.362   8.514  35.850
  544   1HG   LYS  11          1HG       LYS  11  -6.775   7.803  38.114
  545   2HG   LYS  11          2HG       LYS  11  -5.314   8.791  38.070
  546   1HD   LYS  11          1HD       LYS  11  -7.005  10.032  39.273
  547   2HD   LYS  11          2HD       LYS  11  -6.781  10.808  37.705
  548   1HE   LYS  11          1HE       LYS  11  -9.056  10.635  37.536
  549   2HE   LYS  11          2HE       LYS  11  -8.738   8.930  37.155
  550   1HZ   LYS  11          1HZ       LYS  11  -8.774   9.811  39.962
  551   2HZ   LYS  11          2HZ       LYS  11  -9.105   8.276  39.314
  552   3HZ   LYS  11          3HZ       LYS  11 -10.246   9.526  39.169
  553    H    VAL  12           H        VAL  12  -4.987   5.953  37.673
  554    HA   VAL  12           HA       VAL  12  -6.435   3.613  36.651
  555    HB   VAL  12           HB       VAL  12  -5.313   4.063  39.424
  556   1HG1  VAL  12          1HG1      VAL  12  -5.643   1.659  37.612
  557   2HG1  VAL  12          2HG1      VAL  12  -6.473   1.969  39.137
  558   3HG1  VAL  12          3HG1      VAL  12  -4.743   1.622  39.129
  559   1HG2  VAL  12          1HG2      VAL  12  -3.236   4.311  38.608
  560   2HG2  VAL  12          2HG2      VAL  12  -3.890   4.347  36.970
  561   3HG2  VAL  12          3HG2      VAL  12  -3.402   2.814  37.691
  562    H    ASP  13           H        ASP  13  -8.579   3.179  37.111
  563    HA   ASP  13           HA       ASP  13 -10.044   5.001  38.898
  564   1HB   ASP  13          1HB       ASP  13 -11.911   4.200  37.764
  565   2HB   ASP  13          2HB       ASP  13 -10.664   3.871  36.564
  566    H    GLU  14           H        GLU  14 -11.867   3.562  40.202
  567    HA   GLU  14           HA       GLU  14 -10.542   2.733  42.510
  568   1HB   GLU  14          1HB       GLU  14 -13.272   1.984  41.426
  569   2HB   GLU  14          2HB       GLU  14 -12.783   1.783  43.109
  570   1HG   GLU  14          1HG       GLU  14 -12.314   4.219  43.243
  571   2HG   GLU  14          2HG       GLU  14 -12.882   4.402  41.583
  572    H    LEU  15           H        LEU  15 -11.710   0.644  39.851
  573    HA   LEU  15           HA       LEU  15 -11.045  -1.786  41.321
  574   1HB   LEU  15          1HB       LEU  15 -12.945  -1.695  39.823
  575   2HB   LEU  15          2HB       LEU  15 -11.912  -1.210  38.477
  576    HG   LEU  15           HG       LEU  15 -10.808  -3.337  38.439
  577   1HD1  LEU  15          1HD1      LEU  15 -11.996  -3.560  41.165
  578   2HD1  LEU  15          2HD1      LEU  15 -10.405  -4.064  40.589
  579   3HD1  LEU  15          3HD1      LEU  15 -11.826  -5.053  40.241
  580   1HD2  LEU  15          1HD2      LEU  15 -13.577  -4.286  39.028
  581   2HD2  LEU  15          2HD2      LEU  15 -12.551  -4.614  37.631
  582   3HD2  LEU  15          3HD2      LEU  15 -13.391  -3.069  37.765
  583    H    GLY  16           H        GLY  16  -9.123   0.361  39.528
  584   1HA   GLY  16          1HA       GLY  16  -6.824   0.107  38.970
  585   2HA   GLY  16          2HA       GLY  16  -6.932  -1.592  39.434
  586    H    ARG  17           H        ARG  17  -8.807   0.292  37.046
  587    HA   ARG  17           HA       ARG  17  -8.069  -1.785  35.019
  588   1HB   ARG  17          1HB       ARG  17 -10.509  -0.025  35.416
  589   2HB   ARG  17          2HB       ARG  17 -10.283  -1.086  34.025
  590   1HG   ARG  17          1HG       ARG  17 -10.072  -3.025  35.562
  591   2HG   ARG  17          2HG       ARG  17 -10.368  -1.953  36.930
  592   1HD   ARG  17          1HD       ARG  17 -12.311  -2.243  34.616
  593   2HD   ARG  17          2HD       ARG  17 -12.433  -3.181  36.119
  594    HE   ARG  17           HE       ARG  17 -12.104  -0.334  36.619
  595   1HH1  ARG  17          1HH1      ARG  17 -14.319  -2.858  35.799
  596   2HH1  ARG  17          2HH1      ARG  17 -15.685  -2.073  36.516
  597   1HH2  ARG  17          1HH2      ARG  17 -13.890   0.691  37.576
  598   2HH2  ARG  17          2HH2      ARG  17 -15.444  -0.068  37.515
  599    H    VAL  18           H        VAL  18  -7.673  -1.021  32.844
  600    HA   VAL  18           HA       VAL  18  -6.996   1.900  32.667
  601    HB   VAL  18           HB       VAL  18  -5.053   1.197  31.351
  602   1HG1  VAL  18          1HG1      VAL  18  -5.298   0.914  34.027
  603   2HG1  VAL  18          2HG1      VAL  18  -3.803   0.555  33.163
  604   3HG1  VAL  18          3HG1      VAL  18  -4.908  -0.750  33.593
  605   1HG2  VAL  18          1HG2      VAL  18  -6.619  -1.151  30.989
  606   2HG2  VAL  18          2HG2      VAL  18  -5.138  -1.640  31.812
  607   3HG2  VAL  18          3HG2      VAL  18  -5.050  -0.782  30.274
  608    H    VAL  19           H        VAL  19  -7.312   2.842  30.547
  609    HA   VAL  19           HA       VAL  19  -9.323   1.334  28.925
  610    HB   VAL  19           HB       VAL  19  -8.766   4.308  29.108
  611   1HG1  VAL  19          1HG1      VAL  19 -11.469   3.345  28.491
  612   2HG1  VAL  19          2HG1      VAL  19 -10.270   2.877  27.285
  613   3HG1  VAL  19          3HG1      VAL  19 -10.505   4.579  27.681
  614   1HG2  VAL  19          1HG2      VAL  19 -11.017   4.055  30.504
  615   2HG2  VAL  19          2HG2      VAL  19  -9.445   3.874  31.281
  616   3HG2  VAL  19          3HG2      VAL  19 -10.368   2.445  30.818
  617    H    ILE  20           H        ILE  20  -8.903   0.942  26.774
  618    HA   ILE  20           HA       ILE  20  -6.303   1.746  25.628
  619    HB   ILE  20           HB       ILE  20  -8.637  -0.018  24.939
  620   1HG1  ILE  20          1HG1      ILE  20  -6.860  -1.693  24.733
  621   2HG1  ILE  20          2HG1      ILE  20  -5.633  -0.441  24.929
  622   1HG2  ILE  20          1HG2      ILE  20  -6.451   0.706  22.969
  623   2HG2  ILE  20          2HG2      ILE  20  -8.104   1.314  22.875
  624   3HG2  ILE  20          3HG2      ILE  20  -7.787  -0.412  22.700
  625   1HD1  ILE  20          1HD1      ILE  20  -7.736  -1.166  26.990
  626   2HD1  ILE  20          2HD1      ILE  20  -6.483   0.060  27.182
  627   3HD1  ILE  20          3HD1      ILE  20  -6.039  -1.642  27.054
  628    HA   PRO  21           HA       PRO  21  -7.935   5.487  23.856
  629   1HB   PRO  21          1HB       PRO  21  -6.106   5.529  21.720
  630   2HB   PRO  21          2HB       PRO  21  -5.864   6.279  23.308
  631   1HG   PRO  21          1HG       PRO  21  -4.816   3.731  22.246
  632   2HG   PRO  21          2HG       PRO  21  -4.113   4.837  23.433
  633   1HD   PRO  21          1HD       PRO  21  -5.231   2.457  24.103
  634   2HD   PRO  21          2HD       PRO  21  -5.219   3.865  25.189
  635    H    ILE  22           H        ILE  22  -9.419   5.882  22.170
  636    HA   ILE  22           HA       ILE  22 -10.681   3.730  20.864
  637    HB   ILE  22           HB       ILE  22 -11.464   6.118  21.261
  638   1HG1  ILE  22          1HG1      ILE  22 -12.797   6.188  19.143
  639   2HG1  ILE  22          2HG1      ILE  22 -11.763   4.918  18.489
  640   1HG2  ILE  22          1HG2      ILE  22  -9.904   6.599  18.704
  641   2HG2  ILE  22          2HG2      ILE  22  -9.437   7.194  20.297
  642   3HG2  ILE  22          3HG2      ILE  22 -10.921   7.773  19.540
  643   1HD1  ILE  22          1HD1      ILE  22 -14.073   4.416  19.824
  644   2HD1  ILE  22          2HD1      ILE  22 -12.922   4.371  21.161
  645   3HD1  ILE  22          3HD1      ILE  22 -12.714   3.293  19.781
  646    H    GLU  23           H        GLU  23  -7.952   5.718  19.786
  647    HA   GLU  23           HA       GLU  23  -7.858   4.950  17.049
  648   1HB   GLU  23          1HB       GLU  23  -6.511   6.711  18.220
  649   2HB   GLU  23          2HB       GLU  23  -5.577   5.432  18.996
  650   1HG   GLU  23          1HG       GLU  23  -4.945   4.574  16.741
  651   2HG   GLU  23          2HG       GLU  23  -5.793   5.941  16.015
  652    H    LEU  24           H        LEU  24  -6.707   3.326  19.980
  653    HA   LEU  24           HA       LEU  24  -5.471   1.116  18.497
  654   1HB   LEU  24          1HB       LEU  24  -6.081   1.643  21.418
  655   2HB   LEU  24          2HB       LEU  24  -5.149   0.262  20.839
  656    HG   LEU  24           HG       LEU  24  -4.454   3.193  20.500
  657   1HD1  LEU  24          1HD1      LEU  24  -3.033   2.908  22.241
  658   2HD1  LEU  24          2HD1      LEU  24  -2.488   1.342  21.641
  659   3HD1  LEU  24          3HD1      LEU  24  -3.962   1.453  22.602
  660   1HD2  LEU  24          1HD2      LEU  24  -2.332   2.163  19.474
  661   2HD2  LEU  24          2HD2      LEU  24  -3.783   2.139  18.472
  662   3HD2  LEU  24          3HD2      LEU  24  -3.269   0.677  19.313
  663    H    ARG  25           H        ARG  25  -8.567   1.767  20.095
  664    HA   ARG  25           HA       ARG  25  -9.583  -0.902  20.234
  665   1HB   ARG  25          1HB       ARG  25 -10.956   1.729  19.572
  666   2HB   ARG  25          2HB       ARG  25 -11.787   0.258  20.068
  667   1HG   ARG  25          1HG       ARG  25 -10.416   0.312  22.196
  668   2HG   ARG  25          2HG       ARG  25  -9.854   1.913  21.708
  669   1HD   ARG  25          1HD       ARG  25 -12.387   2.482  21.437
  670   2HD   ARG  25          2HD       ARG  25 -12.651   1.052  22.452
  671    HE   ARG  25           HE       ARG  25 -10.693   2.394  23.821
  672   1HH1  ARG  25          1HH1      ARG  25 -13.733   3.292  22.460
  673   2HH1  ARG  25          2HH1      ARG  25 -14.029   4.541  23.623
  674   1HH2  ARG  25          1HH2      ARG  25 -11.065   4.018  25.342
  675   2HH2  ARG  25          2HH2      ARG  25 -12.519   4.953  25.251
  676    H    ARG  26           H        ARG  26  -9.596   1.501  17.596
  677    HA   ARG  26           HA       ARG  26 -11.027  -0.186  15.731
  678   1HB   ARG  26          1HB       ARG  26  -9.256   2.259  15.414
  679   2HB   ARG  26          2HB       ARG  26 -10.294   1.610  14.144
  680   1HG   ARG  26          1HG       ARG  26 -12.261   1.901  15.650
  681   2HG   ARG  26          2HG       ARG  26 -11.201   2.652  16.844
  682   1HD   ARG  26          1HD       ARG  26 -10.559   4.357  15.086
  683   2HD   ARG  26          2HD       ARG  26 -11.837   3.678  14.059
  684    HE   ARG  26           HE       ARG  26 -12.840   4.218  16.712
  685   1HH1  ARG  26          1HH1      ARG  26 -11.925   5.665  13.711
  686   2HH1  ARG  26          2HH1      ARG  26 -12.996   7.013  13.888
  687   1HH2  ARG  26          1HH2      ARG  26 -14.240   5.973  16.951
  688   2HH2  ARG  26          2HH2      ARG  26 -14.305   7.188  15.718
  689    H    THR  27           H        THR  27  -7.573   0.733  16.001
  690    HA   THR  27           HA       THR  27  -6.654  -0.797  13.778
  691    HB   THR  27           HB       THR  27  -5.220  -0.025  16.337
  692    HG1  THR  27           HG1      THR  27  -4.925   1.917  15.398
  693   1HG2  THR  27          1HG2      THR  27  -3.529   0.233  14.132
  694   2HG2  THR  27          2HG2      THR  27  -4.391  -1.278  13.844
  695   3HG2  THR  27          3HG2      THR  27  -3.481  -1.053  15.338
  696    H    LEU  28           H        LEU  28  -7.210  -1.702  17.157
  697    HA   LEU  28           HA       LEU  28  -5.837  -4.281  16.836
  698   1HB   LEU  28          1HB       LEU  28  -5.862  -2.828  18.901
  699   2HB   LEU  28          2HB       LEU  28  -7.568  -3.235  19.094
  700    HG   LEU  28           HG       LEU  28  -6.872  -5.680  19.043
  701   1HD1  LEU  28          1HD1      LEU  28  -4.674  -6.287  18.930
  702   2HD1  LEU  28          2HD1      LEU  28  -4.141  -4.905  19.887
  703   3HD1  LEU  28          3HD1      LEU  28  -4.479  -4.709  18.167
  704   1HD2  LEU  28          1HD2      LEU  28  -7.102  -3.944  21.118
  705   2HD2  LEU  28          2HD2      LEU  28  -5.437  -4.479  21.349
  706   3HD2  LEU  28          3HD2      LEU  28  -6.748  -5.659  21.331
  707    H    GLY  29           H        GLY  29  -8.906  -3.142  16.010
  708   1HA   GLY  29          1HA       GLY  29 -10.837  -4.281  15.306
  709   2HA   GLY  29          2HA       GLY  29  -9.866  -5.755  15.322
  710    H    ILE  30           H        ILE  30 -10.659  -3.569  18.023
  711    HA   ILE  30           HA       ILE  30 -11.852  -5.942  19.413
  712    HB   ILE  30           HB       ILE  30 -10.460  -3.475  20.501
  713   1HG1  ILE  30          1HG1      ILE  30  -8.865  -4.887  19.359
  714   2HG1  ILE  30          2HG1      ILE  30  -8.684  -5.179  21.089
  715   1HG2  ILE  30          1HG2      ILE  30 -11.489  -5.997  21.836
  716   2HG2  ILE  30          2HG2      ILE  30 -12.076  -4.354  22.096
  717   3HG2  ILE  30          3HG2      ILE  30 -10.455  -4.805  22.625
  718   1HD1  ILE  30          1HD1      ILE  30  -8.797  -7.366  20.347
  719   2HD1  ILE  30          2HD1      ILE  30  -9.829  -6.957  18.976
  720   3HD1  ILE  30          3HD1      ILE  30 -10.515  -7.053  20.598
  721    H    ALA  31           H        ALA  31 -13.878  -5.728  20.279
  722    HA   ALA  31           HA       ALA  31 -15.180  -3.040  20.314
  723   1HB   ALA  31          1HB       ALA  31 -17.122  -4.106  19.171
  724   2HB   ALA  31          2HB       ALA  31 -16.200  -5.604  19.045
  725   3HB   ALA  31          3HB       ALA  31 -15.665  -4.164  18.179
  726    H    GLU  32           H        GLU  32 -17.290  -3.165  21.568
  727    HA   GLU  32           HA       GLU  32 -16.974  -4.221  24.153
  728   1HB   GLU  32          1HB       GLU  32 -18.581  -2.472  23.377
  729   2HB   GLU  32          2HB       GLU  32 -19.544  -3.737  22.612
  730   1HG   GLU  32          1HG       GLU  32 -19.783  -4.846  24.836
  731   2HG   GLU  32          2HG       GLU  32 -18.924  -3.491  25.570
  732    H    LYS  33           H        LYS  33 -17.679  -6.126  25.161
  733    HA   LYS  33           HA       LYS  33 -18.552  -8.306  25.395
  734   1HB   LYS  33          1HB       LYS  33 -20.327  -7.207  23.876
  735   2HB   LYS  33          2HB       LYS  33 -19.525  -8.047  22.548
  736   1HG   LYS  33          1HG       LYS  33 -19.825 -10.199  23.743
  737   2HG   LYS  33          2HG       LYS  33 -20.690  -9.348  25.025
  738   1HD   LYS  33          1HD       LYS  33 -22.323  -8.536  23.296
  739   2HD   LYS  33          2HD       LYS  33 -21.514  -9.568  22.117
  740   1HE   LYS  33          1HE       LYS  33 -22.673 -11.368  22.851
  741   2HE   LYS  33          2HE       LYS  33 -22.107 -11.090  24.510
  742   1HZ   LYS  33          1HZ       LYS  33 -24.465 -10.804  24.490
  743   2HZ   LYS  33          2HZ       LYS  33 -24.390  -9.762  23.150
  744   3HZ   LYS  33          3HZ       LYS  33 -23.766  -9.267  24.651
  745    H    ASP  34           H        ASP  34 -16.228  -7.372  23.138
  746    HA   ASP  34           HA       ASP  34 -15.642 -10.032  22.037
  747   1HB   ASP  34          1HB       ASP  34 -14.243  -7.352  22.131
  748   2HB   ASP  34          2HB       ASP  34 -13.510  -8.769  21.378
  749    H    ALA  35           H        ALA  35 -13.451 -11.041  22.540
  750    HA   ALA  35           HA       ALA  35 -13.055 -10.990  25.497
  751   1HB   ALA  35          1HB       ALA  35 -13.643 -13.007  23.818
  752   2HB   ALA  35          2HB       ALA  35 -12.684 -13.255  25.277
  753   3HB   ALA  35          3HB       ALA  35 -11.883 -13.075  23.716
  754    H    LEU  36           H        LEU  36 -11.144 -10.272  26.335
  755    HA   LEU  36           HA       LEU  36  -8.835  -9.785  24.483
  756   1HB   LEU  36          1HB       LEU  36  -9.338  -8.697  27.268
  757   2HB   LEU  36          2HB       LEU  36  -8.194  -8.089  26.073
  758    HG   LEU  36           HG       LEU  36 -11.155  -8.166  25.504
  759   1HD1  LEU  36          1HD1      LEU  36  -9.725  -5.726  26.534
  760   2HD1  LEU  36          2HD1      LEU  36 -10.431  -6.889  27.661
  761   3HD1  LEU  36          3HD1      LEU  36 -11.457  -6.056  26.491
  762   1HD2  LEU  36          1HD2      LEU  36 -10.484  -6.298  23.975
  763   2HD2  LEU  36          2HD2      LEU  36  -9.668  -7.814  23.595
  764   3HD2  LEU  36          3HD2      LEU  36  -8.807  -6.544  24.464
  765    H    GLU  37           H        GLU  37  -6.852 -10.801  25.014
  766    HA   GLU  37           HA       GLU  37  -6.885 -12.579  27.427
  767   1HB   GLU  37          1HB       GLU  37  -6.561 -13.634  25.190
  768   2HB   GLU  37          2HB       GLU  37  -5.128 -12.641  24.960
  769   1HG   GLU  37          1HG       GLU  37  -4.145 -13.635  27.025
  770   2HG   GLU  37          2HG       GLU  37  -5.551 -14.694  27.145
  771    H    ILE  38           H        ILE  38  -5.354 -12.212  28.999
  772    HA   ILE  38           HA       ILE  38  -3.671  -9.775  28.660
  773    HB   ILE  38           HB       ILE  38  -4.785 -11.151  31.126
  774   1HG1  ILE  38          1HG1      ILE  38  -5.714  -8.634  29.706
  775   2HG1  ILE  38          2HG1      ILE  38  -6.515 -10.201  29.584
  776   1HG2  ILE  38          1HG2      ILE  38  -3.557  -9.699  32.332
  777   2HG2  ILE  38          2HG2      ILE  38  -4.156  -8.339  31.382
  778   3HG2  ILE  38          3HG2      ILE  38  -2.735  -9.233  30.843
  779   1HD1  ILE  38          1HD1      ILE  38  -6.868 -10.211  32.029
  780   2HD1  ILE  38          2HD1      ILE  38  -7.608  -8.792  31.288
  781   3HD1  ILE  38          3HD1      ILE  38  -6.076  -8.640  32.148
  782    H    TYR  39           H        TYR  39  -1.505  -9.934  28.901
  783    HA   TYR  39           HA       TYR  39  -0.325 -12.568  29.719
  784   1HB   TYR  39          1HB       TYR  39   0.376 -10.387  27.764
  785   2HB   TYR  39          2HB       TYR  39   1.601 -11.532  28.297
  786    HD1  TYR  39           HD1      TYR  39  -1.966 -11.566  27.093
  787    HD2  TYR  39           HD2      TYR  39   1.911 -13.407  27.005
  788    HE1  TYR  39           HE1      TYR  39  -2.790 -13.224  25.439
  789    HE2  TYR  39           HE2      TYR  39   1.091 -15.064  25.358
  790    HH   TYR  39           HH       TYR  39  -1.711 -15.927  24.863
  791    H    VAL  40           H        VAL  40   1.719 -12.417  30.946
  792    HA   VAL  40           HA       VAL  40   2.269  -9.718  32.120
  793    HB   VAL  40           HB       VAL  40   2.155 -12.400  33.533
  794   1HG1  VAL  40          1HG1      VAL  40   3.407  -9.806  34.212
  795   2HG1  VAL  40          2HG1      VAL  40   3.759 -11.421  34.828
  796   3HG1  VAL  40          3HG1      VAL  40   2.401 -10.504  35.481
  797   1HG2  VAL  40          1HG2      VAL  40  -0.061 -11.527  33.213
  798   2HG2  VAL  40          2HG2      VAL  40   0.457  -9.893  33.628
  799   3HG2  VAL  40          3HG2      VAL  40   0.391 -11.139  34.874
  800    H    ASP  41           H        ASP  41   4.342  -9.171  31.614
  801    HA   ASP  41           HA       ASP  41   6.475 -11.219  31.860
  802   1HB   ASP  41          1HB       ASP  41   7.278 -10.861  29.627
  803   2HB   ASP  41          2HB       ASP  41   5.538 -11.110  29.478
  804    H    ASP  42           H        ASP  42   8.461 -10.275  32.467
  805    HA   ASP  42           HA       ASP  42   9.818  -8.578  33.440
  806   1HB   ASP  42          1HB       ASP  42  10.167  -8.451  31.022
  807   2HB   ASP  42          2HB       ASP  42   8.768  -7.390  30.854
  808    H    GLU  43           H        GLU  43   7.299  -8.461  34.701
  809    HA   GLU  43           HA       GLU  43   6.018  -6.973  36.021
  810   1HB   GLU  43          1HB       GLU  43   8.381  -5.223  35.261
  811   2HB   GLU  43          2HB       GLU  43   7.269  -4.901  36.591
  812   1HG   GLU  43          1HG       GLU  43   7.889  -7.083  37.609
  813   2HG   GLU  43          2HG       GLU  43   9.055  -7.335  36.309
  814    H    LYS  44           H        LYS  44   6.006  -6.837  32.848
  815    HA   LYS  44           HA       LYS  44   4.363  -4.328  32.736
  816   1HB   LYS  44          1HB       LYS  44   6.093  -5.700  30.654
  817   2HB   LYS  44          2HB       LYS  44   5.018  -4.348  30.296
  818   1HG   LYS  44          1HG       LYS  44   6.227  -2.995  32.021
  819   2HG   LYS  44          2HG       LYS  44   7.362  -4.332  32.218
  820   1HD   LYS  44          1HD       LYS  44   7.934  -4.186  29.810
  821   2HD   LYS  44          2HD       LYS  44   6.834  -2.816  29.645
  822   1HE   LYS  44          1HE       LYS  44   8.648  -1.530  30.138
  823   2HE   LYS  44          2HE       LYS  44   8.429  -2.090  31.808
  824   1HZ   LYS  44          1HZ       LYS  44  10.073  -3.376  29.694
  825   2HZ   LYS  44          2HZ       LYS  44   9.729  -4.094  31.195
  826   3HZ   LYS  44          3HZ       LYS  44  10.636  -2.659  31.124
  827    H    ILE  45           H        ILE  45   2.350  -4.530  31.627
  828    HA   ILE  45           HA       ILE  45   1.365  -7.330  31.407
  829    HB   ILE  45           HB       ILE  45  -0.068  -4.654  31.383
  830   1HG1  ILE  45          1HG1      ILE  45   0.238  -6.588  33.693
  831   2HG1  ILE  45          2HG1      ILE  45   1.305  -5.202  33.461
  832   1HG2  ILE  45          1HG2      ILE  45  -1.807  -5.967  30.765
  833   2HG2  ILE  45          2HG2      ILE  45  -1.751  -6.599  32.411
  834   3HG2  ILE  45          3HG2      ILE  45  -0.914  -7.448  31.112
  835   1HD1  ILE  45          1HD1      ILE  45  -1.187  -4.066  33.172
  836   2HD1  ILE  45          2HD1      ILE  45  -0.238  -4.050  34.659
  837   3HD1  ILE  45          3HD1      ILE  45  -1.475  -5.283  34.416
  838    H    ILE  46           H        ILE  46   0.985  -8.217  29.411
  839    HA   ILE  46           HA       ILE  46   0.945  -6.397  27.028
  840    HB   ILE  46           HB       ILE  46   1.749  -9.273  27.503
  841   1HG1  ILE  46          1HG1      ILE  46   3.346  -7.206  26.043
  842   2HG1  ILE  46          2HG1      ILE  46   3.243  -7.115  27.802
  843   1HG2  ILE  46          1HG2      ILE  46   0.395  -9.092  25.404
  844   2HG2  ILE  46          2HG2      ILE  46   2.077  -9.531  25.107
  845   3HG2  ILE  46          3HG2      ILE  46   1.533  -7.878  24.821
  846   1HD1  ILE  46          1HD1      ILE  46   4.010  -9.639  26.319
  847   2HD1  ILE  46          2HD1      ILE  46   4.140  -9.330  28.050
  848   3HD1  ILE  46          3HD1      ILE  46   5.191  -8.476  26.920
  849    H    LEU  47           H        LEU  47  -1.136  -6.054  26.347
  850    HA   LEU  47           HA       LEU  47  -3.144  -8.245  26.723
  851   1HB   LEU  47          1HB       LEU  47  -3.461  -5.273  26.190
  852   2HB   LEU  47          2HB       LEU  47  -4.773  -6.400  26.530
  853    HG   LEU  47           HG       LEU  47  -3.473  -6.942  28.704
  854   1HD1  LEU  47          1HD1      LEU  47  -1.980  -4.618  27.586
  855   2HD1  LEU  47          2HD1      LEU  47  -1.406  -5.939  28.605
  856   3HD1  LEU  47          3HD1      LEU  47  -2.300  -4.598  29.321
  857   1HD2  LEU  47          1HD2      LEU  47  -4.934  -5.544  29.769
  858   2HD2  LEU  47          2HD2      LEU  47  -5.533  -5.243  28.138
  859   3HD2  LEU  47          3HD2      LEU  47  -4.382  -4.128  28.875
  860    H    LYS  48           H        LYS  48  -3.993  -9.207  24.913
  861    HA   LYS  48           HA       LYS  48  -3.735  -7.837  22.279
  862   1HB   LYS  48          1HB       LYS  48  -2.675  -9.816  21.328
  863   2HB   LYS  48          2HB       LYS  48  -1.742  -9.296  22.731
  864   1HG   LYS  48          1HG       LYS  48  -2.895 -10.978  24.123
  865   2HG   LYS  48          2HG       LYS  48  -3.824 -11.503  22.718
  866   1HD   LYS  48          1HD       LYS  48  -1.430 -11.766  21.626
  867   2HD   LYS  48          2HD       LYS  48  -0.908 -11.876  23.307
  868   1HE   LYS  48          1HE       LYS  48  -1.373 -14.131  22.558
  869   2HE   LYS  48          2HE       LYS  48  -2.715 -13.660  23.620
  870   1HZ   LYS  48          1HZ       LYS  48  -3.529 -12.663  21.283
  871   2HZ   LYS  48          2HZ       LYS  48  -3.962 -14.208  21.841
  872   3HZ   LYS  48          3HZ       LYS  48  -2.681 -14.027  20.739
  873    H    LYS  49           H        LYS  49  -5.064  -9.036  20.591
  874    HA   LYS  49           HA       LYS  49  -7.724  -9.560  21.424
  875   1HB   LYS  49          1HB       LYS  49  -6.934  -9.018  19.123
  876   2HB   LYS  49          2HB       LYS  49  -6.210 -10.623  19.016
  877   1HG   LYS  49          1HG       LYS  49  -8.407 -11.666  19.303
  878   2HG   LYS  49          2HG       LYS  49  -9.155 -10.081  19.497
  879   1HD   LYS  49          1HD       LYS  49  -9.499 -10.782  17.208
  880   2HD   LYS  49          2HD       LYS  49  -8.304  -9.485  17.200
  881   1HE   LYS  49          1HE       LYS  49  -6.479 -11.119  17.041
  882   2HE   LYS  49          2HE       LYS  49  -7.647 -12.453  17.128
  883   1HZ   LYS  49          1HZ       LYS  49  -7.343 -12.094  14.848
  884   2HZ   LYS  49          2HZ       LYS  49  -7.360 -10.403  15.012
  885   3HZ   LYS  49          3HZ       LYS  49  -8.795 -11.293  15.201
  886    H    TYR  50           H        TYR  50  -8.829 -11.525  21.833
  887    HA   TYR  50           HA       TYR  50  -7.056 -13.716  22.783
  888   1HB   TYR  50          1HB       TYR  50  -8.628 -12.638  24.333
  889   2HB   TYR  50          2HB       TYR  50  -9.972 -13.023  23.257
  890    HD1  TYR  50           HD1      TYR  50 -11.152 -14.364  24.933
  891    HD2  TYR  50           HD2      TYR  50  -7.149 -15.334  23.720
  892    HE1  TYR  50           HE1      TYR  50 -11.373 -16.593  25.993
  893    HE2  TYR  50           HE2      TYR  50  -7.369 -17.565  24.782
  894    HH   TYR  50           HH       TYR  50 -10.356 -18.833  25.788
  895    H    LYS  51           H        LYS  51  -6.885 -15.530  21.538
  896    HA   LYS  51           HA       LYS  51  -9.212 -16.276  19.793
  897   1HB   LYS  51          1HB       LYS  51  -6.231 -16.265  19.383
  898   2HB   LYS  51          2HB       LYS  51  -7.230 -17.399  18.474
  899   1HG   LYS  51          1HG       LYS  51  -8.377 -15.697  17.352
  900   2HG   LYS  51          2HG       LYS  51  -7.994 -14.494  18.584
  901   1HD   LYS  51          1HD       LYS  51  -5.987 -15.753  16.689
  902   2HD   LYS  51          2HD       LYS  51  -6.669 -14.135  16.520
  903   1HE   LYS  51          1HE       LYS  51  -4.925 -13.420  17.794
  904   2HE   LYS  51          2HE       LYS  51  -5.735 -14.211  19.162
  905   1HZ   LYS  51          1HZ       LYS  51  -3.634 -15.226  19.022
  906   2HZ   LYS  51          2HZ       LYS  51  -3.707 -15.356  17.330
  907   3HZ   LYS  51          3HZ       LYS  51  -4.698 -16.333  18.304
  908    HA   PRO  52           HA       PRO  52  -8.683 -19.492  23.064
  909   1HB   PRO  52          1HB       PRO  52 -11.420 -20.113  22.093
  910   2HB   PRO  52          2HB       PRO  52 -10.842 -19.871  23.753
  911   1HG   PRO  52          1HG       PRO  52 -12.329 -18.044  22.454
  912   2HG   PRO  52          2HG       PRO  52 -11.114 -17.612  23.664
  913   1HD   PRO  52          1HD       PRO  52 -11.024 -17.322  20.721
  914   2HD   PRO  52          2HD       PRO  52 -10.213 -16.369  21.983
  915    H    ASN  53           H        ASN  53  -8.226 -21.702  22.710
  916    HA   ASN  53           HA       ASN  53  -7.666 -22.554  20.016
  917   1HB   ASN  53          1HB       ASN  53  -7.879 -24.029  22.662
  918   2HB   ASN  53          2HB       ASN  53  -7.157 -24.702  21.200
  919   1HD2  ASN  53          1HD2      ASN  53  -5.614 -24.321  23.594
  920   2HD2  ASN  53          2HD2      ASN  53  -4.457 -23.117  23.293