#Block 1 Serine Ligand

CST::BEGIN

  TEMPLATE::   ATOM_MAP: 1 atom_name: C7 O2 N2
  TEMPLATE::   ATOM_MAP: 1 residue3: NYL
  
  TEMPLATE::   ATOM_MAP: 2 atom_name: OG CB CA
  TEMPLATE::   ATOM_MAP: 2 residue1: S
 
  CONSTRAINT:: distanceAB:    1.5   0.300  100.00    1     0
  CONSTRAINT::    angle_A:  58.1   20.00  100.00  360.00  0
  CONSTRAINT::    angle_B:  120.6   20.00  100.00  360.00  0
  CONSTRAINT::  torsion_A:  -96.7   30.00  50.00   360.00  0
  CONSTRAINT::  torsion_B:  -148.6   30.00  25.00   360.00  0
  CONSTRAINT:: torsion_AB:  -45.3   30.00  25.00   180.00  0

  ALGORITHM_INFO:: match
    IGNORE_UPSTREAM_PROTON_CHI
  ALGORITHM_INFO::END
CST::END

#Block 2 Serine Lysine

CST::BEGIN
  TEMPLATE::   ATOM_MAP: 1 atom_name: OG CB CA
  TEMPLATE::   ATOM_MAP: 1 residue1: S

  TEMPLATE::   ATOM_MAP: 2 atom_name: NZ CE CD
  TEMPLATE::   ATOM_MAP: 2 residue1: K
 
  CONSTRAINT:: distanceAB:    3     0.300  50.00  0       0
  CONSTRAINT::    angle_A:  106.0  20.00  50.00  360.00  0
  CONSTRAINT::    angle_B:  125.9  20.00  50.00  120.00  0
  CONSTRAINT::  torsion_A:  -62.7  20.00  25.00  120.00  0
  CONSTRAINT::  torsion_B:   51.5  20.00  25.00  180.00  0
  CONSTRAINT:: torsion_AB:  -66.6  20.00  25.00  180.00  0

  ALGORITHM_INFO:: match
    IGNORE_UPSTREAM_PROTON_CHI
    SECONDARY_MATCH: UPSTREAM_CST 1
  ALGORITHM_INFO::END
 
CST::END


#Block 3 Lysine Tyrosine

CST::BEGIN
  TEMPLATE::   ATOM_MAP: 1 atom_name: NZ CE CD
  TEMPLATE::   ATOM_MAP: 1 residue1: K

  TEMPLATE::   ATOM_MAP: 2 atom_name: OH CZ CE1
  TEMPLATE::   ATOM_MAP: 2 residue1: Y
 
  CONSTRAINT:: distanceAB:      3 0.300 100.00    0     0
  CONSTRAINT::    angle_A:     76.6 30.00  50.00  360.00  0
  CONSTRAINT::    angle_B:    115.2 30.00  50.00  180.00  0
  CONSTRAINT::  torsion_A:     69.5 30.00  25.00  180.00  0
  CONSTRAINT::  torsion_B:     20.2 30.00  25.00  180.00  0
  CONSTRAINT:: torsion_AB:     85.2 30.00  25.00  180.00  0

  ALGORITHM_INFO:: match
    IGNORE_UPSTREAM_PROTON_CHI
    SECONDARY_MATCH: UPSTREAM_CST 2
  ALGORITHM_INFO::END
 
CST::END


#Block 4 Serine Tyrosine

CST::BEGIN

  TEMPLATE::   ATOM_MAP: 1 atom_name: OH CZ CE1
  TEMPLATE::   ATOM_MAP: 1 residue1: Y
  
  TEMPLATE::   ATOM_MAP: 2 atom_name: OG CB CA
  TEMPLATE::   ATOM_MAP: 2 residue1: S
 
  CONSTRAINT:: distanceAB:    3    0.300  100.00  0      0
  CONSTRAINT::    angle_A:  122.1   10.00  50.00  180.00  0
  CONSTRAINT::    angle_B:  94.4    10.00  50.00  360.00  0
  CONSTRAINT::  torsion_A:  -45.9   10.00  25.00  180.00  0
  CONSTRAINT::  torsion_B:  -133.4  10.00  25.00 180.00  0
  CONSTRAINT:: torsion_AB: -153.3   10.00  25.00  180.00  0

  ALGORITHM_INFO:: match
  IGNORE_UPSTREAM_PROTON_CHI
    SECONDARY_MATCH: UPSTREAM_CST 3
  ALGORITHM_INFO::END
 
CST::END

#Block 5 OXY & Ligand

CST::BEGIN
  TEMPLATE::   ATOM_MAP: 1 atom_name: C7 O2 N2
 TEMPLATE::   ATOM_MAP: 1 residue3: NYL

  TEMPLATE::   ATOM_MAP: 2 atom_type: HNbb  ,
  TEMPLATE::   ATOM_MAP: 2 is_backbone
  TEMPLATE::   ATOM_MAP: 2 residue1: RHKDESTNQCAVILMFYW		
 
  CONSTRAINT:: distanceAB:      3  0.300  50     0       0
  CONSTRAINT::    angle_A:   119.5  40.00 50.00  360.00  0
  CONSTRAINT::    angle_B:  116.3  20.00 50.00  360.00  0
  CONSTRAINT::  torsion_A:   72.8  20.00 25.00  120.00  0
  CONSTRAINT::  torsion_B:   34.6  20.00 25.00  180.00  0
  CONSTRAINT:: torsion_AB:  -140.3  30.00 25.00  180.00  0

  ALGORITHM_INFO:: match
  SECONDARY_MATCH: DOWNSTREAM
  ALGORITHM_INFO::END
CST::END