NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
476094 | 1bau | cing | 1-original | 2 | AMBER | dihedral angle |
########################################## # A-type pucker torsion angle restraints # ########################################## # torsion angle constraint number 1 &rst iat = 1, 1, 1, 1, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 1, 1, 1, 1, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 1, 1, 1, 1, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 1, 1, 1, 1, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 1, 1, 1, 1, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 2, 2, 2, 2, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 2, 2, 2, 2, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 2, 2, 2, 2, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 2, 2, 2, 2, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 2, 2, 2, 2, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 3, 3, 3, 3, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 3, 3, 3, 3, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 3, 3, 3, 3, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 3, 3, 3, 3, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 3, 3, 3, 3, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 4, 4, 4, 4, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 4, 4, 4, 4, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 4, 4, 4, 4, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 4, 4, 4, 4, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 4, 4, 4, 4, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 5, 5, 5, 5, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 5, 5, 5, 5, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 5, 5, 5, 5, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 5, 5, 5, 5, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 5, 5, 5, 5, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 6, 6, 6, 6, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 6, 6, 6, 6, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 6, 6, 6, 6, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 6, 6, 6, 6, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 6, 6, 6, 6, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 8, 8, 8, 8, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 8, 8, 8, 8, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 8, 8, 8, 8, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 8, 8, 8, 8, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 8, 8, 8, 8, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 9, 9, 9, 9, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 9, 9, 9, 9, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 9, 9, 9, 9, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 9, 9, 9, 9, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 9, 9, 9, 9, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 16, 16, 16, 16, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 16, 16, 16, 16, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 16, 16, 16, 16, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 16, 16, 16, 16, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 16, 16, 16, 16, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 17, 17, 17, 17, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 17, 17, 17, 17, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 17, 17, 17, 17, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 17, 17, 17, 17, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 17, 17, 17, 17, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 18, 18, 18, 18, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 18, 18, 18, 18, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 18, 18, 18, 18, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 18, 18, 18, 18, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 18, 18, 18, 18, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 19, 19, 19, 19, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 19, 19, 19, 19, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 19, 19, 19, 19, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 19, 19, 19, 19, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 19, 19, 19, 19, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 20, 20, 20, 20, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 20, 20, 20, 20, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 20, 20, 20, 20, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 20, 20, 20, 20, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 20, 20, 20, 20, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 21, 21, 21, 21, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 21, 21, 21, 21, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 21, 21, 21, 21, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 21, 21, 21, 21, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 21, 21, 21, 21, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 22, 22, 22, 22, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 22, 22, 22, 22, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 22, 22, 22, 22, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 22, 22, 22, 22, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 22, 22, 22, 22, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 23, 23, 23, 23, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 23, 23, 23, 23, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 23, 23, 23, 23, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 23, 23, 23, 23, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 23, 23, 23, 23, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 24, 24, 24, 24, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 24, 24, 24, 24, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 24, 24, 24, 24, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 24, 24, 24, 24, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 24, 24, 24, 24, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 25, 25, 25, 25, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 25, 25, 25, 25, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 25, 25, 25, 25, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 25, 25, 25, 25, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 25, 25, 25, 25, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 26, 26, 26, 26, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 26, 26, 26, 26, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 26, 26, 26, 26, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 26, 26, 26, 26, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 26, 26, 26, 26, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 27, 27, 27, 27, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 27, 27, 27, 27, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 27, 27, 27, 27, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 27, 27, 27, 27, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 27, 27, 27, 27, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 28, 28, 28, 28, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 28, 28, 28, 28, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 28, 28, 28, 28, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 28, 28, 28, 28, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 28, 28, 28, 28, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 29, 29, 29, 29, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 29, 29, 29, 29, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 29, 29, 29, 29, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 29, 29, 29, 29, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 29, 29, 29, 29, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 31, 31, 31, 31, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 31, 31, 31, 31, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 31, 31, 31, 31, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 31, 31, 31, 31, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 31, 31, 31, 31, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 32, 32, 32, 32, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 32, 32, 32, 32, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 32, 32, 32, 32, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 32, 32, 32, 32, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 32, 32, 32, 32, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 39, 39, 39, 39, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 39, 39, 39, 39, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 39, 39, 39, 39, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 39, 39, 39, 39, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 39, 39, 39, 39, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 40, 40, 40, 40, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 40, 40, 40, 40, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 40, 40, 40, 40, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 40, 40, 40, 40, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 40, 40, 40, 40, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 41, 41, 41, 41, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 41, 41, 41, 41, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 41, 41, 41, 41, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 41, 41, 41, 41, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 41, 41, 41, 41, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 42, 42, 42, 42,iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 42, 42, 42, 42,iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 42, 42, 42, 42,iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 42, 42, 42, 42,iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 42, 42, 42, 42,iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 43, 43, 43, 43, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 43, 43, 43, 43, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 43, 43, 43, 43, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 43, 43, 43, 43, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 43, 43, 43, 43, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 44, 44, 44, 44, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 44, 44, 44, 44, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 44, 44, 44, 44, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 44, 44, 44, 44, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 44, 44, 44, 44, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 45, 45, 45, 45, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 45, 45, 45, 45, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 45, 45, 45, 45, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 45, 45, 45, 45, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 45, 45, 45, 45, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 1 &rst iat = 46, 46, 46, 46, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 46, 46, 46, 46, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 46, 46, 46, 46, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 46, 46, 46, 46, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 46, 46, 46, 46, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end ######################################## # LOOP DUPLEX A-type PUCKER RESTRAINTS # ######################################## # GUA10 # torsion angle constraint number 1 &rst iat = 10, 10, 10, 10, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 10, 10, 10, 10, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 10, 10, 10, 10, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 10, 10, 10, 10, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 10, 10, 10, 10, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # CYT 11 # torsion angle constraint number 1 &rst iat = 11, 11, 11, 11, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 11, 11, 11, 11, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 11, 11, 11, 11, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 11, 11, 11, 11, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 11, 11, 11, 11, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # GUA 12 # torsion angle constraint number 1 &rst iat = 12, 12, 12, 12, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 12, 12, 12, 12, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 12, 12, 12, 12, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 12, 12, 12, 12, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 12, 12, 12, 12, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # CYT 13 # torsion angle constraint number 1 &rst iat = 13, 13, 13, 13, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 13, 13, 13, 13, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 13, 13, 13, 13, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 13, 13, 13, 13, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 13, 13, 13, 13, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # GUA 14 # torsion angle constraint number 1 &rst iat = 14, 14, 14, 14, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 14, 14, 14, 14, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 14, 14, 14, 14, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 14, 14, 14, 14, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 14, 14, 14, 14, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end #CYT 15 # torsion angle constraint number 1 &rst iat = 15, 15, 15, 15, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 15, 15, 15, 15, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 15, 15, 15, 15, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 15, 15, 15, 15, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 15, 15, 15, 15, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end #GUA 33 # torsion angle constraint number 1 &rst iat = 33, 33, 33, 33, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 33, 33, 33, 33, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 33, 33, 33, 33, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 33, 33, 33, 33, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 33, 33, 33, 33, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # CYT 34 # torsion angle constraint number 1 &rst iat = 34, 34, 34, 34, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 34, 34, 34, 34, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 34, 34, 34, 34, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 34, 34, 34, 34, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 34, 34, 34, 34, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # GUA 35 # torsion angle constraint number 1 &rst iat = 35, 35, 35, 35, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 35, 35, 35, 35, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 35, 35, 35, 35, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 35, 35, 35, 35, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 35, 35, 35, 35, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # CYT 36 # torsion angle constraint number 1 &rst iat = 36, 36, 36, 36, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 36, 36, 36, 36, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 36, 36, 36, 36, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 36, 36, 36, 36, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 36, 36, 36, 36, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # GUA 37 # torsion angle constraint number 1 &rst iat = 37, 37, 37, 37, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 37, 37, 37, 37, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 37, 37, 37, 37, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 37, 37, 37, 37, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 37, 37, 37, 37, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end # CYT 38 # torsion angle constraint number 1 &rst iat = 38, 38, 38, 38, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = 24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 38, 38, 38, 38, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = -49.0, r2 = -39.0, r3 = -33.0, r4 = -23.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 38, 38, 38, 38, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 8.0, r2 = 18.0, r3 = 24.0, r4 = 34.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 38, 38, 38, 38, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -3.0, r2 = 0.0, r3 = 6.0, r4 = 16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 38, 38, 38, 38, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = -39.0, r2 = -29.0, r3 = -23.0, r4 = -13.0, rk2 =30.001, rk3 =30.001, &end
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