// Constraints to keep the conserved histidines H7 H9 H40 H101 H131 // H164 H194 and the conserved E73 and D192 // expected to be involved in metal binding close together in the C' // end of the barrel Constraint H7.ND1 H9.ND1 0 4 8 // Constraint H7.ND1 H40.ND1 0 4 8 // Constraint H7.ND1 H101.ND1 0 4 8 // Constraint H7.ND1 H131.ND1 0 4 8 // Constraint H7.ND1 H164.ND1 0 4 8 Constraint H7.ND1 H194.ND1 0 4 8 Constraint H9.ND1 H40.ND1 0 4 8 // Constraint H9.ND1 H101.ND1 0 4 8 // Constraint H9.ND1 H131.ND1 0 4 8 // Constraint H9.ND1 H164.ND1 0 4 8 // Constraint H9.ND1 H194.ND1 0 4 8 Constraint H40.ND1 H101.ND1 0 4 8 // Constraint H40.ND1 H131.ND1 0 4 8 // Constraint H40.ND1 H164.ND1 0 4 8 // Constraint H40.ND1 H194.ND1 0 4 8 Constraint E73.OE1 D192.OD1 0 6 20 Constraint E73.OE1 H101.ND1 0 6 20 Constraint E73.OE1 H131.ND1 0 6 20 Constraint E73.OE1 H164.ND1 0 6 20 Constraint E73.OE1 H194.ND1 0 6 20 Constraint H101.ND1 D192.OD1 0 6 20 Constraint H131.ND1 D192.OD1 0 6 20 Constraint H40.ND1 D192.OD1 0 6 20 Constraint H40.ND1 E73.OE1 0 6 20 Constraint H7.ND1 D192.OD1 0 6 20 Constraint H7.ND1 E73.OE1 0 6 20 Constraint H9.ND1 D192.OD1 0 6 20 Constraint H9.ND1 E73.OE1 0 6 20 Constraint H101.ND1 H131.ND1 0 4 8 // Constraint H101.ND1 H164.ND1 0 4 8 // Constraint H101.ND1 H194.ND1 0 4 8 Constraint H131.ND1 H164.ND1 0 4 8 // Constraint H131.ND1 H194.ND1 0 4 8 Constraint H164.ND1 D192.OD1 0 4 8 Constraint H164.ND1 H194.ND1 0 4 8 Constraint D192.OD1 H194.ND1 0 4 8