%VERSION VERSION_STAMP = V0001.000 DATE = 04/14/25 23:31:53 %FLAG TITLE %FORMAT(20a4) GLY %FLAG POINTERS %FORMAT(10I8) 7 6 3 3 6 2 9 1 0 0 21 1 3 2 1 5 6 3 6 0 0 0 0 0 0 0 0 0 7 0 0 %FLAG ATOM_NAME %FORMAT(20a4) N H CA HA2 HA3 C O %FLAG CHARGE %FORMAT(5E16.8) -7.57501011E+00 4.95464337E+00 -4.59201960E-01 1.27191654E+00 1.27191654E+00 1.08841798E+01 -1.03484442E+01 %FLAG ATOMIC_NUMBER %FORMAT(10I8) 7 1 6 1 1 6 8 %FLAG MASS %FORMAT(5E16.8) 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 3 4 4 5 6 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 6 4 4 3 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 2 3 5 8 12 17 4 5 6 9 13 18 7 8 9 10 14 19 11 12 13 14 15 20 16 17 18 19 20 21 %FLAG RESIDUE_LABEL %FORMAT(20a4) GLY %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 3.40000000E+02 3.17000000E+02 4.34000000E+02 3.37000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.09000000E+00 1.52200000E+00 1.01000000E+00 1.44900000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 5.00000000E+01 3.50000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 1.91113635E+00 1.91113635E+00 2.10137732E+00 2.06018753E+00 1.91113635E+00 1.92160833E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E-01 0.00000000E+00 8.00000000E-02 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 1.00000000E+00 2.00000000E+00 3.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 3.14159400E+00 %FLAG SCEE_SCALE_FACTOR %FORMAT(5E16.8) 1.20000000E+00 1.20000000E+00 1.20000000E+00 %FLAG SCNB_SCALE_FACTOR %FORMAT(5E16.8) 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 9.44293233E+05 2.12601181E+03 1.39982777E-01 9.95480466E+05 2.56678134E+03 1.04308023E+06 6.20665997E+04 5.94667300E+01 6.78771368E+04 3.25969625E+03 8.82619071E+05 2.27577561E+03 9.24822270E+05 6.01816484E+04 8.19971662E+05 6.06829342E+05 1.02595236E+03 6.47841731E+05 3.69471530E+04 5.74393458E+05 3.79876399E+05 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 8.01323529E+02 2.09604198E+01 9.37598976E-02 7.36907417E+02 2.06278363E+01 6.75612247E+02 1.13252061E+02 1.93248820E+00 1.06076943E+02 1.43076527E+01 6.53361429E+02 1.82891803E+01 5.99015525E+02 9.40505980E+01 5.31102864E+02 6.77220874E+02 1.53505284E+01 6.26720080E+02 9.21192136E+01 5.55666448E+02 5.64885984E+02 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 6 9 2 6 12 2 0 3 4 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 15 18 1 6 15 3 0 6 5 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 12 6 15 1 9 6 12 2 9 6 15 1 3 0 6 4 0 6 9 5 0 6 12 5 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 6 15 18 3 0 6 15 6 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 12 6 15 18 1 12 6 -15 18 2 12 6 -15 18 3 9 6 15 18 1 9 6 -15 18 2 9 6 -15 18 3 3 0 6 9 2 3 0 6 12 2 3 0 6 15 2 %FLAG DIHEDRALS_WITHOUT_HYDROGEN %FORMAT(10I8) 0 6 15 18 2 %FLAG EXCLUDED_ATOMS_LIST %FORMAT(10I8) 2 3 4 5 6 7 3 4 5 6 4 5 6 7 5 6 7 6 7 7 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) N H CX H1 H1 C O %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) M E M E E M E %FLAG JOIN_ARRAY %FORMAT(10I8) 0 0 0 0 0 0 0 %FLAG IROTAT %FORMAT(10I8) 0 0 0 0 0 0 0 %FLAG RADIUS_SET %FORMAT(1a80) modified Bondi radii (mbondi) %FLAG RADII %FORMAT(5E16.8) 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 %FLAG SCREEN %FORMAT(5E16.8) 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 %FLAG IPOL %FORMAT(1I8) 0