// Let's try anti-parallel spec for N-terminus
constraint	M1.CB	T46.CB	4 4.7 6
constraint	D2.CB	I45.CB	4 4.7 6
constraint	I3.CB	F44.CB	4 4.7 6
constraint	R4.CB	S43.CB	4 4.7 6

constraint	D2.CB	L56.CB	8 9.4 12
constraint	I3.CB	I57.CB	8 9.4 12
constraint	R4.CA	G58.CA	8 9.4 12

constraint M1.O	T46.N		2.3 2.7 3.2
constraint I3.N F44.O		2.3 2.7 3.2
constraint I3.O F44.N		2.3 2.7 3.2
constraint T5.N T42.O		2.3 2.7 3.2



// squeeze the hydrophobic hole closed.

constraint	F35.CE1	F72.CD2	0 3 5


// s2-s3

constraint S43.N   G58.O	2.3 2.7 3.2
constraint S43.O   G58.N	2.3 2.7 3.2
constraint I45.N   L56.O	2.3 2.7 3.2
constraint I45.O   L56.N	2.3 2.7 3.2
constraint S47.N   G54.O	2.3 2.7 3.2
constraint S47.O   G54.N	2.3 2.7 3.2

// s3-s4

constraint T53.O V75.N		2.3 2.7 3.2
constraint F55.N S73.O		2.3 2.7 3.2
constraint F55.O S73.N		2.3 2.7 3.2
constraint I57.N H71.O 		2.3 2.7 3.2
constraint I57.O H71.N		2.3 2.7 3.2
constraint F59.N Y69.O		2.3 2.7 3.2
constraint F59.O Y69.N		2.3 2.7 3.2
constraint S61.N T67.O		2.3 2.7 3.2
constraint S61.O T67.N		2.3 2.7 3.2


// s4-s5
constraint A68.N R103.O		2.3 2.7 3.2
constraint A68.O K105.N		2.3 2.7 3.2
constraint I70.N K105.O		2.3 2.7 3.2
constraint I70.O V107.N		2.3 2.7 3.2

constraint R103.CB	T67.CB	4 5.12 6
constraint V104.CB	A68.CB	4 5.12 6
constraint K105.CB 	Y69.CB	4 5.12 6
constraint C106.CB	I70.CB	4 5.12 6
 
// s5-s7

// Add antiparallel strand
// Hbonds are to V104 and C106

constraint V104.CB	Y142.CB	4 4.7 6
constraint K105.CB	N141.CB	4 4.7 6
Constraint C106.CB	A140.CB	4 4.7 6
constraint V107.CB	F139.CB	4 4.7 6
constraint T108.CB	V138.CB	4 4.7 6


constraint V104.O Y142.N	2.3 2.7 3.2
constraint C106.N A140.O	2.3 2.7 3.2
constraint C106.O A140.N	2.3 2.7 3.2
constraint T108.N V138.O	2.3 2.7 3.2
constraint T108.O V138.N	2.3 2.7 3.2

// pull helix down
constraint	H119.NE2	C106.O	2.3 2.7 3.2

// Add antiparallel strand
 constraint S137.CB  N141.CB   14 14.6 16

 Constraint D125.CB K105.CB	8 9.4 12
 Constraint I126.CB C106.CB	8 9.4 12
 Constraint E127.CB V107.CB	8 9.4 12
 Constraint K128.CB T108.CB	8 9.4 12
 
 constraint D125.CB N141.CB 	4 4.7 6
 constraint I126.CB A140.CB 	4 4.7 6
 constraint E127.CB F139.CB     4 4.7 6
 constraint K128.CB V138.CB     4 4.7 6
 constraint G129.CA S137.CA     4 4.7 6
 constraint T130.CB I136.CB     4 4.7 6
 
constraint  D125.N	N141.O	2.3 2.7 3.2
constraint  D125.O	N141.N	2.3 2.7 3.2
constraint  E127.N	F139.O	2.3 2.7 3.2
constraint  E127.O	F139.N	2.3 2.7 3.2
constraint  G129.N	S137.O	2.3 2.7 3.2
constraint  G129.O	S137.N	2.3 2.7 3.2