// Nterminal half-barrel Hbonds

// Add metal-binding site constraints:

constraint C64.SG C66.SG	3 3.6 5
constraint C66.SG C67.SG	3 3.6 5
constraint C67.SG C118.SG	3 3.6 5
constraint C118.SG C64.SG	3 3.6 5



// straightness constraint P181-V185
constraint P181.CB V185.CB 	14 14.6 16

// attach last strand of N-terminus
//	RILLT
//	PVYT
constraint R154.CB	P181.CB	4 5.12 7
constraint I155.CB	V182.CB	4 5.12 7
constraint L156.CB	Y183.CB	4 5.12 7
constraint L157.CB	T184.CB	4 5.12 7

constraint I155.N	P181.O	2.3 2.7 3.2
constraint I155.O	Y183.N	2.3 2.7 3.2
constraint L157.N	Y183.O	2.3 2.7 3.2
constraint L157.O	T184.N	2.3 2.7 3.2


// This alignment of  strand I33-E39 is conjectural:
//  RLVIEC		 RLVIEC
// kIAVIENE		kIAVIENE
//  QIKTL		   QIKTL

//  first alignment:
// constraint I57.N	I33.O	2.3 2.7 3.2
// constraint I57.O	V35.N	2.3 2.7 3.2
// constraint T59.N	V35.O	2.3 2.7 3.2
// constraint T59.O	E37.N	2.3 2.7 3.2

// second alignment:
constraint I57.N	V35.O	2.3 2.7 3.2
constraint I57.O	E37.N	2.3 2.7 3.2
constraint T59.N	E37.O	2.3 2.7 3.2
constraint T59.O	E39.N	2.3 2.7 3.2


constraint A34.N	R93.O	2.3 2.7 3.2
constraint A34.O	V95.N	2.3 2.7 3.2
constraint I36.N	V95.O	2.3 2.7 3.2
constraint I36.O	E97.N	2.3 2.7 3.2

constraint A5.O		L94.N	2.3 2.7 3.2
constraint T7.N		L94.O	2.3 2.7 3.2
constraint T7.O		I96.N	2.3 2.7 3.2
constraint L9.N		I96.O	2.3 2.7 3.2

constraint  V6.O	G125.N	2.3 2.7 3.2
constraint  L8.N	G125.O	2.3 2.7 3.2
constraint  L8.O	I127.N	2.3 2.7 3.2
constraint T10.N	I127.O	2.3 2.7 3.2
constraint T10.O	L129.N	2.3 2.7 3.2

constraint V126.O	R154.N	2.3 2.7 3.2
constraint A128.N	R154.O	2.3 2.7 3.2
constraint A128.O	L156.N	2.3 2.7 3.2
constraint V130.N	L156.O	2.3 2.7 3.2
constraint V130.O	T158.N	2.3 2.7 3.2



// second domain


constraint S225.N	Q277.O	2.3 2.7 3.2
constraint S225.O	Q277.N	2.3 2.7 3.2
constraint I227.N	G275.O	2.3 2.7 3.2
constraint I227.O	G275.N	2.3 2.7 3.2
constraint V229.N	F273.O	2.3 2.7 3.2
constraint V229.O	F273.N	2.3 2.7 3.2
constraint L231.N	L271.O	2.3 2.7 3.2
constraint L231.O	L271.N	2.3 2.7 3.2

constraint L272.N	D265.O	2.3 2.7 3.2
constraint L272.O	D265.N	2.3 2.7 3.2
constraint Q274.N	W263.O	2.3 2.7 3.2
constraint Q274.O	W263.N	2.3 2.7 3.2
constraint V276.N	M261.O	2.3 2.7 3.2
constraint V276.O	M261.N	2.3 2.7 3.2

Constraint G260.O	I300.N	2.3 2.7 3.2
Constraint L262.N	V298.O	2.3 2.7 3.2
Constraint L262.O	V298.N	2.3 2.7 3.2
Constraint I264.N	T296.O	2.3 2.7 3.2

constraint H294.N	M297.O	2.3 2.7 3.2
constraint H294.O	M297.N	2.3 2.7 3.2