%VERSION VERSION_STAMP = V0001.000 DATE = 04/24/10 04:08:24 %FLAG TITLE %FORMAT(20a4) NGLY %FLAG POINTERS %FORMAT(10I8) 385 13 187 202 421 278 828 708 0 0 2117 29 202 278 708 31 63 37 23 0 0 0 0 0 0 0 0 0 24 0 0 %FLAG ATOM_NAME %FORMAT(20a4) N H1 H2 H3 CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11 HD12HD13CD2 HD21HD22HD23C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 SG HG C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB CG2 HG21HG22 HG23OG1 HG1 C O N H CA HA CB HB2 HB3 SG HG C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA2 HA3 C O N H CA HA2 HA3 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 SG HG C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 SG HG C O N H CA HA CB HB CG2 HG21HG22 HG23OG1 HG1 C O N H 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1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 3.20600000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.60000000E+01 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 2 2 3 4 4 5 6 1 2 3 7 3 8 8 3 8 3 8 8 8 3 8 8 8 5 6 1 3 7 7 3 8 8 3 8 8 3 7 5 6 1 2 3 7 3 8 3 8 8 8 3 8 8 8 5 6 1 2 3 7 3 7 7 9 2 5 6 1 2 3 7 7 5 6 1 2 3 7 3 8 8 3 8 8 5 6 6 5 6 1 2 3 7 3 7 3 8 8 8 10 11 5 6 1 2 3 7 3 7 7 9 2 5 6 1 2 3 7 3 8 3 8 8 8 3 8 8 8 5 6 1 2 3 7 7 5 6 1 2 3 7 7 5 6 1 2 3 7 3 7 3 8 8 8 10 11 5 6 1 2 3 7 3 7 7 9 2 5 6 1 2 3 7 3 8 8 5 6 1 2 2 5 6 1 2 3 7 3 7 3 8 8 8 10 11 5 6 1 3 7 7 3 8 8 3 8 8 3 7 5 6 1 2 3 7 7 5 6 1 2 3 7 3 7 7 9 2 5 6 1 2 3 7 3 7 3 8 8 8 10 11 5 6 1 2 3 7 3 7 7 9 2 5 6 1 2 3 7 3 7 7 10 11 5 6 1 2 3 7 3 8 8 5 5 12 1 2 5 5 13 5 13 5 13 5 13 5 5 6 1 3 7 7 3 8 8 3 8 8 3 7 5 6 1 2 3 7 3 8 3 8 8 8 3 8 8 8 5 6 1 2 3 7 3 7 7 9 2 5 6 1 2 3 7 3 7 3 8 8 8 10 11 5 6 1 2 3 7 3 8 8 3 8 8 3 7 7 1 2 5 1 2 2 1 2 2 5 6 1 2 3 7 3 8 8 5 6 1 2 2 5 6 6 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 9 6 5 4 7 4 3 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 7 4 7 4 3 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 7 4 7 4 3 7 3 7 4 7 4 3 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 7 4 7 4 3 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 12 7 12 5 4 11 7 4 7 3 8 7 4 6 3 4 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 10 7 10 5 4 5 3 2 1 1 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 2 3 5 8 12 17 23 30 38 47 57 68 80 4 5 6 9 13 18 24 31 39 48 58 69 81 7 8 9 10 14 19 25 32 40 49 59 70 82 11 12 13 14 15 20 26 33 41 50 60 71 83 16 17 18 19 20 21 27 34 42 51 61 72 84 22 23 24 25 26 27 28 35 43 52 62 73 85 29 30 31 32 33 34 35 36 44 53 63 74 86 37 38 39 40 41 42 43 44 45 54 64 75 87 46 47 48 49 50 51 52 53 54 55 65 76 88 56 57 58 59 60 61 62 63 64 65 66 77 89 67 68 69 70 71 72 73 74 75 76 77 78 90 79 80 81 82 83 84 85 86 87 88 89 90 91 %FLAG RESIDUE_LABEL %FORMAT(20a4) GLY LEU PRO VAL CYS GLY GLU THR CYS VAL GLY GLY THR CYS ASN THR PRO GLY CYS THR CYS SER TRP PRO VAL CYS THR ARG ASN %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 10 29 43 59 70 77 92 106 117 133 140 147 161 172 186 200 214 221 232 246 257 268 292 306 322 333 347 371 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.90000000E+02 3.40000000E+02 3.17000000E+02 4.34000000E+02 3.67000000E+02 3.40000000E+02 3.10000000E+02 3.40000000E+02 4.34000000E+02 3.37000000E+02 2.74000000E+02 2.37000000E+02 6.56000000E+02 5.53000000E+02 3.20000000E+02 3.67000000E+02 4.69000000E+02 4.69000000E+02 4.69000000E+02 4.47000000E+02 4.34000000E+02 4.28000000E+02 3.67000000E+02 4.27000000E+02 5.46000000E+02 3.88000000E+02 3.17000000E+02 4.34000000E+02 4.81000000E+02 3.37000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.33500000E+00 1.09000000E+00 1.52200000E+00 1.01000000E+00 1.47100000E+00 1.09000000E+00 1.52600000E+00 1.09000000E+00 1.01000000E+00 1.44900000E+00 1.33600000E+00 1.81000000E+00 1.25000000E+00 9.60000000E-01 1.41000000E+00 1.08000000E+00 1.40400000E+00 1.40000000E+00 1.40000000E+00 1.41900000E+00 1.01000000E+00 1.38000000E+00 1.08000000E+00 1.38100000E+00 1.35200000E+00 1.45900000E+00 1.49500000E+00 1.01000000E+00 1.34000000E+00 1.46300000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 3.50000000E+01 4.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 4.30000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 3.50000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.14501057E+00 2.09439600E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 2.06018753E+00 1.91113635E+00 1.91462701E+00 1.92160833E+00 1.91113635E+00 2.05948940E+00 1.91113635E+00 1.67551680E+00 1.89542838E+00 2.19911580E+00 1.91113635E+00 2.04203610E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.14151991E+00 2.09439600E+00 2.09439600E+00 2.02807346E+00 2.14850123E+00 2.31779824E+00 1.82212452E+00 2.09439600E+00 1.85703112E+00 2.09439600E+00 1.94778828E+00 2.09439600E+00 1.89717371E+00 1.89891904E+00 2.35445017E+00 1.91113635E+00 2.18166250E+00 2.24449438E+00 2.01760148E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.06647072E+00 2.15024656E+00 1.94080696E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 2.00000000E+00 2.50000000E+00 0.00000000E+00 2.00000000E+00 4.00000000E-01 0.00000000E+00 0.00000000E+00 2.70000000E-01 4.20000000E-01 1.55555556E-01 1.60000000E-01 1.50000000E-01 2.00000000E-01 2.00000000E-01 8.00000000E-01 8.00000000E-02 2.00000000E-01 2.50000000E-01 1.80000000E-01 4.50000000E-01 1.58000000E+00 5.50000000E-01 2.50000000E-01 2.50000000E-01 0.00000000E+00 1.66666667E-01 3.62500000E+00 3.00000000E+00 3.50000000E+00 1.52500000E+00 6.52500000E+00 1.50000000E+00 1.67500000E+00 2.40000000E+00 1.05000000E+01 1.10000000E+00 1.00000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 1.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 1.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 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 2.01791425E+04 9.14716912E+00 2.27401052E+04 2.01823541E+02 8.82619071E+05 2.27577561E+03 9.24822270E+05 2.01619733E+04 8.19971662E+05 6.06829342E+05 1.02595236E+03 6.47841731E+05 1.12780457E+04 5.74393458E+05 3.79876399E+05 6.20665997E+04 5.94667300E+01 6.78771368E+04 8.79040886E+02 6.01816484E+04 3.69471530E+04 3.25969625E+03 8.96776989E+04 1.07193646E+02 9.71708117E+04 1.41077189E+03 8.61541883E+04 5.44261042E+04 4.98586848E+03 7.51607703E+03 2.01562190E+06 5.97860700E+03 2.09861767E+06 4.93469320E+04 1.86068943E+06 1.32911052E+06 1.42791446E+05 2.02461849E+05 4.19430400E+06 7.44975864E+05 1.40467023E+03 7.91544157E+05 1.45985502E+04 7.01803794E+05 4.71003287E+05 4.66922514E+04 6.82786631E+04 1.61587928E+06 5.81803229E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.58473870E+04 6.63368273E+01 7.18621074E+04 9.55000044E+02 6.37148278E+04 3.93690817E+04 3.50301067E+03 5.34045360E+03 1.50848032E+05 4.96707306E+04 0.00000000E+00 3.76169105E+03 7.91627154E+04 8.90987508E+01 8.59947003E+04 1.21014911E+03 7.62451550E+04 4.77908183E+04 4.33325458E+03 6.55825601E+03 1.79647996E+05 6.00750218E+04 0.00000000E+00 4.64559155E+03 5.71629601E+03 %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 6.45756063E+01 7.57919667E-01 6.13981767E+01 3.56012899E+00 6.53361429E+02 1.82891803E+01 5.99015525E+02 5.44372326E+01 5.31102864E+02 6.77220874E+02 1.53505284E+01 6.26720080E+02 5.08951803E+01 5.55666448E+02 5.64885984E+02 1.13252061E+02 1.93248820E+00 1.06076943E+02 7.42992380E+00 9.40505980E+01 9.21192136E+01 1.43076527E+01 1.36131731E+02 2.59456373E+00 1.26919150E+02 9.41257003E+00 1.12529845E+02 1.11805549E+02 1.76949863E+01 2.17257828E+01 1.28923404E+03 3.87070358E+01 1.17824605E+03 1.11203892E+02 1.04466382E+03 1.10369829E+03 1.89165096E+02 2.25248294E+02 2.04800000E+03 7.50714425E+02 1.79702257E+01 6.93079947E+02 5.79323581E+01 6.14502845E+02 6.29300710E+02 1.03606917E+02 1.25287818E+02 1.21753341E+03 6.99746810E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.15327881E+02 2.01792524E+00 1.07908863E+02 7.65648470E+00 9.56748258E+01 9.40124296E+01 1.46638650E+01 1.81057616E+01 1.92224012E+02 1.05648788E+02 0.00000000E+00 1.50233639E+01 1.26451907E+02 2.33864085E+00 1.18043746E+02 8.61880722E+00 1.04660679E+02 1.03580945E+02 1.63092814E+01 2.00642027E+01 2.09772716E+02 1.16187983E+02 0.00000000E+00 1.66953734E+01 1.85196588E+01 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 12 15 3 12 18 3 0 3 5 0 6 5 0 9 5 66 69 7 66 72 7 66 75 7 54 57 7 54 60 7 54 63 7 48 51 7 39 42 7 39 45 7 33 36 9 27 30 10 114 117 9 105 108 7 105 111 7 96 99 7 96 102 7 87 90 9 87 93 9 156 159 7 156 162 7 156 165 7 144 147 7 144 150 7 144 153 7 138 141 7 132 135 9 126 129 10 195 198 12 186 189 9 186 192 9 180 183 9 174 177 10 213 216 9 213 219 9 207 210 10 249 252 7 249 255 7 240 243 7 240 246 7 234 237 9 228 231 10 303 306 15 291 294 7 291 297 7 291 300 7 285 288 9 279 282 9 273 276 10 336 339 12 327 330 9 327 333 9 321 324 9 315 318 10 378 381 7 378 384 7 378 387 7 366 369 7 366 372 7 366 375 7 360 363 7 354 357 9 348 351 10 402 405 9 402 408 9 396 399 10 423 426 9 423 429 9 417 420 10 468 471 15 456 459 7 456 462 7 456 465 7 450 453 9 444 447 9 438 441 10 501 504 12 492 495 9 492 498 9 486 489 9 480 483 10 540 543 10 540 546 10 525 528 7 525 531 7 519 522 9 513 516 10 585 588 15 573 576 7 573 579 7 573 582 7 567 570 9 561 564 9 555 558 10 627 630 9 618 621 7 618 624 7 609 612 7 609 615 7 600 603 9 600 606 9 645 648 9 645 651 9 639 642 10 681 684 12 672 675 9 672 678 9 666 669 9 660 663 10 723 726 15 711 714 7 711 717 7 711 720 7 705 708 9 699 702 9 693 696 10 756 759 12 747 750 9 747 753 9 741 744 9 735 738 10 789 792 15 780 783 9 780 786 9 774 777 9 768 771 10 858 861 17 852 855 17 846 849 17 840 843 17 831 834 22 825 828 24 813 816 7 813 819 7 807 810 9 801 804 10 903 906 9 894 897 7 894 900 7 885 888 7 885 891 7 876 879 9 876 882 9 945 948 7 945 951 7 945 954 7 933 936 7 933 939 7 933 942 7 927 930 7 921 924 9 915 918 10 984 987 12 975 978 9 975 981 9 969 972 9 963 966 10 1026 1029 15 1014 1017 7 1014 1020 7 1014 1023 7 1008 1011 9 1002 1005 9 996 999 10 1095 1098 29 1095 1101 29 1086 1089 29 1086 1092 29 1077 1080 29 1068 1071 9 1068 1074 9 1059 1062 7 1059 1065 7 1050 1053 7 1050 1056 7 1044 1047 9 1038 1041 10 1137 1140 10 1137 1143 10 1122 1125 7 1122 1128 7 1116 1119 9 1110 1113 10 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 21 24 1 21 27 2 12 21 4 0 12 6 78 81 1 78 84 2 48 54 8 48 66 8 39 48 8 33 39 8 33 78 4 27 33 11 120 123 1 120 126 2 114 120 4 105 114 8 96 105 8 87 96 8 84 87 11 84 114 11 168 171 1 168 174 2 138 144 8 138 156 8 132 138 8 132 168 4 126 132 11 201 204 1 201 207 2 186 195 13 180 186 8 180 201 4 174 180 11 222 225 1 222 228 2 213 222 4 207 213 11 267 270 1 267 273 2 258 261 14 258 264 14 249 258 4 240 249 8 234 240 8 234 267 4 228 234 11 309 312 1 309 315 2 285 291 8 285 303 16 279 285 8 279 309 4 273 279 11 342 345 1 342 348 2 327 336 13 321 327 8 321 342 4 315 321 11 390 393 1 390 396 2 360 366 8 360 378 8 354 360 8 354 390 4 348 354 11 411 414 1 411 417 2 402 411 4 396 402 11 432 435 1 432 438 2 423 432 4 417 423 11 474 477 1 474 480 2 450 456 8 450 468 16 444 450 8 444 474 4 438 444 11 507 510 1 507 513 2 492 501 13 486 492 8 486 507 4 480 486 11 549 552 1 549 555 2 534 537 1 534 540 2 525 534 4 519 525 8 519 549 4 513 519 11 591 594 1 591 597 2 567 573 8 567 585 16 561 567 8 561 591 4 555 561 11 633 636 1 633 639 2 627 633 4 618 627 8 609 618 8 600 609 8 597 600 11 597 627 11 654 657 1 654 660 2 645 654 4 639 645 11 687 690 1 687 693 2 672 681 13 666 672 8 666 687 4 660 666 11 729 732 1 729 735 2 705 711 8 705 723 16 699 705 8 699 729 4 693 699 11 762 765 1 762 768 2 747 756 13 741 747 8 741 762 4 735 741 11 795 798 1 795 801 2 780 789 16 774 780 8 774 795 4 768 774 11 867 870 1 867 873 2 858 864 18 852 858 19 846 852 19 840 846 19 837 840 20 837 864 21 831 837 23 825 831 25 822 825 26 822 864 27 813 822 28 807 813 8 807 867 4 801 807 11 909 912 1 909 915 2 903 909 4 894 903 8 885 894 8 876 885 8 873 876 11 873 903 11 957 960 1 957 963 2 927 933 8 927 945 8 921 927 8 921 957 4 915 921 11 990 993 1 990 996 2 975 984 13 969 975 8 969 990 4 963 969 11 1032 1035 1 1032 1038 2 1008 1014 8 1008 1026 16 1002 1008 8 1002 1032 4 996 1002 11 1104 1107 1 1104 1110 2 1083 1086 30 1083 1095 30 1077 1083 30 1068 1077 31 1059 1068 8 1050 1059 8 1044 1050 8 1044 1104 4 1038 1044 11 1146 1149 14 1146 1152 14 1131 1134 1 1131 1137 2 1122 1131 4 1116 1122 8 1116 1146 4 1110 1116 11 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 21 27 30 2 18 12 21 4 15 12 18 5 15 12 21 4 9 0 12 8 6 0 9 9 6 0 12 8 3 0 6 9 3 0 9 9 3 0 12 8 0 12 15 10 0 12 18 10 72 66 75 12 69 66 72 12 69 66 75 12 60 54 63 12 57 54 60 12 57 54 63 12 51 48 54 14 51 48 66 14 48 54 57 14 48 54 60 14 48 54 63 14 48 66 69 14 48 66 72 14 48 66 75 14 45 39 48 14 42 39 45 12 42 39 48 14 39 48 51 14 36 33 39 16 36 33 78 17 33 39 42 14 33 39 45 14 30 27 33 18 27 33 36 19 120 126 129 2 117 114 120 17 111 105 114 14 108 105 111 12 108 105 114 14 105 114 117 16 102 96 105 14 99 96 102 12 99 96 105 14 96 105 108 14 96 105 111 14 93 87 96 16 90 87 93 22 90 87 96 16 87 96 99 14 87 96 102 14 84 87 90 19 84 87 93 19 84 114 117 19 168 174 177 2 162 156 165 12 159 156 162 12 159 156 165 12 150 144 153 12 147 144 150 12 147 144 153 12 141 138 144 14 141 138 156 14 138 144 147 14 138 144 150 14 138 144 153 14 138 156 159 14 138 156 162 14 138 156 165 14 135 132 138 16 135 132 168 17 132 138 141 14 129 126 132 18 126 132 135 19 201 207 210 2 192 186 195 24 189 186 192 22 189 186 195 24 186 195 198 25 183 180 186 16 183 180 201 17 180 186 189 16 180 186 192 16 177 174 180 18 174 180 183 19 222 228 231 2 219 213 222 17 216 213 219 22 216 213 222 17 210 207 213 18 207 213 216 19 207 213 219 19 267 273 276 2 255 249 258 28 252 249 255 12 252 249 258 28 246 240 249 14 243 240 246 12 243 240 249 14 240 249 252 14 240 249 255 14 237 234 240 16 237 234 267 17 234 240 243 14 234 240 246 14 231 228 234 18 228 234 237 19 309 315 318 2 297 291 300 12 294 291 297 12 294 291 300 12 288 285 291 16 288 285 303 31 285 291 294 14 285 291 297 14 285 291 300 14 285 303 306 32 282 279 285 16 282 279 309 17 279 285 288 16 276 273 279 18 273 279 282 19 342 348 351 2 333 327 336 24 330 327 333 22 330 327 336 24 327 336 339 25 324 321 327 16 324 321 342 17 321 327 330 16 321 327 333 16 318 315 321 18 315 321 324 19 390 396 399 2 384 378 387 12 381 378 384 12 381 378 387 12 372 366 375 12 369 366 372 12 369 366 375 12 363 360 366 14 363 360 378 14 360 366 369 14 360 366 372 14 360 366 375 14 360 378 381 14 360 378 384 14 360 378 387 14 357 354 360 16 357 354 390 17 354 360 363 14 351 348 354 18 348 354 357 19 411 417 420 2 408 402 411 17 405 402 408 22 405 402 411 17 399 396 402 18 396 402 405 19 396 402 408 19 432 438 441 2 429 423 432 17 426 423 429 22 426 423 432 17 420 417 423 18 417 423 426 19 417 423 429 19 474 480 483 2 462 456 465 12 459 456 462 12 459 456 465 12 453 450 456 16 453 450 468 31 450 456 459 14 450 456 462 14 450 456 465 14 450 468 471 32 447 444 450 16 447 444 474 17 444 450 453 16 441 438 444 18 438 444 447 19 507 513 516 2 498 492 501 24 495 492 498 22 495 492 501 24 492 501 504 25 489 486 492 16 489 486 507 17 486 492 495 16 486 492 498 16 483 480 486 18 480 486 489 19 549 555 558 2 543 540 546 33 534 540 543 2 534 540 546 2 531 525 534 28 528 525 531 12 528 525 534 28 522 519 525 16 522 519 549 17 519 525 528 14 519 525 531 14 516 513 519 18 513 519 522 19 579 573 582 12 576 573 579 12 576 573 582 12 570 567 573 16 570 567 585 31 567 573 576 14 567 573 579 14 567 573 582 14 567 585 588 32 564 561 567 16 564 561 591 17 561 567 570 16 558 555 561 18 555 561 564 19 633 639 642 2 630 627 633 17 624 618 627 14 621 618 624 12 621 618 627 14 618 627 630 16 615 609 618 14 612 609 615 12 612 609 618 14 609 618 621 14 609 618 624 14 606 600 609 16 603 600 606 22 603 600 609 16 600 609 612 14 600 609 615 14 597 600 603 19 597 600 606 19 597 627 630 19 654 660 663 2 651 645 654 17 648 645 651 22 648 645 654 17 642 639 645 18 639 645 648 19 639 645 651 19 687 693 696 2 678 672 681 24 675 672 678 22 675 672 681 24 672 681 684 25 669 666 672 16 669 666 687 17 666 672 675 16 666 672 678 16 663 660 666 18 660 666 669 19 729 735 738 2 717 711 720 12 714 711 717 12 714 711 720 12 708 705 711 16 708 705 723 31 705 711 714 14 705 711 717 14 705 711 720 14 705 723 726 32 702 699 705 16 702 699 729 17 699 705 708 16 696 693 699 18 693 699 702 19 762 768 771 2 753 747 756 24 750 747 753 22 750 747 756 24 747 756 759 25 744 741 747 16 744 741 762 17 741 747 750 16 741 747 753 16 738 735 741 18 735 741 744 19 795 801 804 2 786 780 789 31 783 780 786 22 783 780 789 31 780 789 792 32 777 774 780 16 777 774 795 17 774 780 783 16 774 780 786 16 771 768 774 18 768 774 777 19 861 858 864 34 855 852 858 35 852 858 861 35 849 846 852 35 846 852 855 35 843 840 846 35 840 846 849 35 837 840 843 39 834 831 837 42 828 825 831 45 825 831 834 47 822 825 828 49 819 813 822 53 816 813 819 12 816 813 822 53 810 807 813 16 810 807 867 17 807 813 816 14 807 813 819 14 804 801 807 18 801 807 810 19 909 915 918 2 906 903 909 17 900 894 903 14 897 894 900 12 897 894 903 14 894 903 906 16 891 885 894 14 888 885 891 12 888 885 894 14 885 894 897 14 885 894 900 14 882 876 885 16 879 876 882 22 879 876 885 16 876 885 888 14 876 885 891 14 873 876 879 19 873 876 882 19 873 903 906 19 957 963 966 2 951 945 954 12 948 945 951 12 948 945 954 12 939 933 942 12 936 933 939 12 936 933 942 12 930 927 933 14 930 927 945 14 927 933 936 14 927 933 939 14 927 933 942 14 927 945 948 14 927 945 951 14 927 945 954 14 924 921 927 16 924 921 957 17 921 927 930 14 918 915 921 18 915 921 924 19 990 996 999 2 981 975 984 24 978 975 981 22 978 975 984 24 975 984 987 25 972 969 975 16 972 969 990 17 969 975 978 16 969 975 981 16 966 963 969 18 963 969 972 19 1032 1038 1041 2 1020 1014 1023 12 1017 1014 1020 12 1017 1014 1023 12 1011 1008 1014 16 1011 1008 1026 31 1008 1014 1017 14 1008 1014 1020 14 1008 1014 1023 14 1008 1026 1029 32 1005 1002 1008 16 1005 1002 1032 17 1002 1008 1011 16 999 996 1002 18 996 1002 1005 19 1104 1110 1113 2 1098 1095 1101 57 1089 1086 1092 57 1083 1086 1089 59 1083 1086 1092 59 1083 1095 1098 59 1083 1095 1101 59 1080 1077 1083 59 1074 1068 1077 60 1071 1068 1074 22 1071 1068 1077 60 1068 1077 1080 61 1065 1059 1068 14 1062 1059 1065 12 1062 1059 1068 14 1059 1068 1071 16 1059 1068 1074 16 1056 1050 1059 14 1053 1050 1056 12 1053 1050 1059 14 1050 1059 1062 14 1050 1059 1065 14 1047 1044 1050 16 1047 1044 1104 17 1044 1050 1053 14 1044 1050 1056 14 1041 1038 1044 18 1038 1044 1047 19 1140 1137 1143 33 1131 1137 1140 2 1131 1137 1143 2 1128 1122 1131 28 1125 1122 1128 12 1125 1122 1131 28 1119 1116 1122 16 1119 1116 1146 17 1116 1122 1125 14 1116 1122 1128 14 1113 1110 1116 18 1110 1116 1119 19 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 24 21 27 1 21 27 33 3 12 21 24 6 12 21 27 7 0 12 21 11 81 78 84 1 78 84 87 3 78 84 114 3 54 48 66 13 39 33 78 15 39 48 54 13 39 48 66 13 33 39 48 13 33 78 81 6 33 78 84 7 27 33 39 20 27 33 78 21 123 120 126 1 120 126 132 3 114 120 123 6 114 120 126 7 105 114 120 15 96 105 114 13 87 84 114 23 87 96 105 13 84 87 96 20 84 114 105 20 84 114 120 21 171 168 174 1 168 174 180 3 144 138 156 13 138 132 168 15 132 138 144 13 132 138 156 13 132 168 171 6 132 168 174 7 126 132 138 20 126 132 168 21 204 201 207 1 201 207 213 3 186 180 201 15 180 186 195 26 180 201 204 6 180 201 207 7 174 180 186 20 174 180 201 21 225 222 228 1 222 228 234 3 213 222 225 6 213 222 228 7 207 213 222 21 270 267 273 1 267 273 279 3 261 258 264 27 249 258 261 29 249 258 264 29 240 234 267 15 240 249 258 15 234 240 249 13 234 267 270 6 234 267 273 7 228 234 240 20 228 234 267 21 312 309 315 1 309 315 321 3 291 285 303 30 285 279 309 15 279 285 291 13 279 285 303 30 279 309 312 6 279 309 315 7 273 279 285 20 273 279 309 21 345 342 348 1 342 348 354 3 327 321 342 15 321 327 336 26 321 342 345 6 321 342 348 7 315 321 327 20 315 321 342 21 393 390 396 1 390 396 402 3 366 360 378 13 360 354 390 15 354 360 366 13 354 360 378 13 354 390 393 6 354 390 396 7 348 354 360 20 348 354 390 21 414 411 417 1 411 417 423 3 402 411 414 6 402 411 417 7 396 402 411 21 435 432 438 1 432 438 444 3 423 432 435 6 423 432 438 7 417 423 432 21 477 474 480 1 474 480 486 3 456 450 468 30 450 444 474 15 444 450 456 13 444 450 468 30 444 474 477 6 444 474 480 7 438 444 450 20 438 444 474 21 510 507 513 1 507 513 519 3 492 486 507 15 486 492 501 26 486 507 510 6 486 507 513 7 480 486 492 20 480 486 507 21 552 549 555 1 549 555 561 3 537 534 540 1 525 519 549 15 525 534 537 6 525 534 540 7 519 525 534 15 519 549 552 6 519 549 555 7 513 519 525 20 513 519 549 21 594 591 597 1 591 597 600 3 591 597 627 3 573 567 585 30 567 561 591 15 561 567 573 13 561 567 585 30 561 591 594 6 561 591 597 7 555 561 567 20 555 561 591 21 636 633 639 1 633 639 645 3 627 633 636 6 627 633 639 7 618 627 633 15 609 618 627 13 600 597 627 23 600 609 618 13 597 600 609 20 597 627 618 20 597 627 633 21 657 654 660 1 654 660 666 3 645 654 657 6 645 654 660 7 639 645 654 21 690 687 693 1 687 693 699 3 672 666 687 15 666 672 681 26 666 687 690 6 666 687 693 7 660 666 672 20 660 666 687 21 732 729 735 1 729 735 741 3 711 705 723 30 705 699 729 15 699 705 711 13 699 705 723 30 699 729 732 6 699 729 735 7 693 699 705 20 693 699 729 21 765 762 768 1 762 768 774 3 747 741 762 15 741 747 756 26 741 762 765 6 741 762 768 7 735 741 747 20 735 741 762 21 798 795 801 1 795 801 807 3 780 774 795 15 774 780 789 30 774 795 798 6 774 795 801 7 768 774 780 20 768 774 795 21 870 867 873 1 867 873 876 3 867 873 903 3 852 858 864 36 846 852 858 37 840 837 864 38 840 846 852 37 837 840 846 40 837 864 858 41 831 837 840 43 831 837 864 44 825 822 864 46 825 831 837 48 822 825 831 50 822 864 837 51 822 864 858 52 813 807 867 15 813 822 825 54 813 822 864 55 807 813 822 56 807 867 870 6 807 867 873 7 801 807 813 20 801 807 867 21 912 909 915 1 909 915 921 3 903 909 912 6 903 909 915 7 894 903 909 15 885 894 903 13 876 873 903 23 876 885 894 13 873 876 885 20 873 903 894 20 873 903 909 21 960 957 963 1 957 963 969 3 933 927 945 13 927 921 957 15 921 927 933 13 921 927 945 13 921 957 960 6 921 957 963 7 915 921 927 20 915 921 957 21 993 990 996 1 990 996 1002 3 975 969 990 15 969 975 984 26 969 990 993 6 969 990 996 7 963 969 975 20 963 969 990 21 1035 1032 1038 1 1032 1038 1044 3 1014 1008 1026 30 1008 1002 1032 15 1002 1008 1014 13 1002 1008 1026 30 1002 1032 1035 6 1002 1032 1038 7 996 1002 1008 20 996 1002 1032 21 1107 1104 1110 1 1104 1110 1116 3 1086 1083 1095 58 1077 1083 1086 58 1077 1083 1095 58 1068 1077 1083 62 1059 1068 1077 63 1050 1044 1104 15 1050 1059 1068 13 1044 1050 1059 13 1044 1104 1107 6 1044 1104 1110 7 1038 1044 1050 20 1038 1044 1104 21 1149 1146 1152 27 1134 1131 1137 1 1122 1116 1146 15 1122 1131 1134 6 1122 1131 1137 7 1116 1122 1131 15 1116 1146 1149 29 1116 1146 1152 29 1110 1116 1122 20 1110 1116 1146 21 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 24 21 27 30 1 24 21 -27 30 2 21 27 33 36 3 18 12 21 24 3 18 12 21 27 3 15 12 21 24 3 15 12 21 27 3 12 21 27 30 2 9 0 12 15 10 9 0 12 18 10 9 0 12 21 10 6 0 12 15 10 6 0 12 18 10 6 0 12 21 10 3 0 12 15 10 3 0 12 18 10 3 0 12 21 10 78 84 87 90 3 78 84 87 93 3 78 84 114 117 3 63 54 48 66 11 60 54 48 66 11 57 54 48 66 11 54 48 66 69 11 54 48 66 72 11 54 48 66 75 11 51 48 54 57 12 51 48 54 60 12 51 48 54 63 12 51 48 66 69 12 51 48 66 72 12 51 48 66 75 12 45 39 33 78 10 45 39 48 51 12 45 39 48 54 11 45 39 48 66 11 42 39 33 78 10 42 39 48 51 12 42 39 48 54 11 42 39 48 66 11 39 48 54 57 11 39 48 54 60 11 39 48 54 63 11 39 48 66 69 11 39 48 66 72 11 39 48 66 75 11 36 33 39 42 10 36 33 39 45 10 36 33 39 48 10 36 33 78 81 15 36 33 -78 81 16 36 33 78 84 3 33 39 48 51 11 30 27 33 36 3 30 27 33 39 3 30 27 33 78 3 27 33 39 42 10 27 33 39 45 10 123 120 126 129 1 123 120 -126 129 2 120 126 132 135 3 117 114 120 123 15 117 114 -120 123 16 117 114 120 126 3 114 120 126 129 2 111 105 114 117 10 111 105 114 120 10 108 105 114 117 10 108 105 114 120 10 102 96 105 108 12 102 96 105 111 12 102 96 105 114 11 99 96 105 108 12 99 96 105 111 12 99 96 105 114 11 96 105 114 117 10 93 87 84 114 3 93 87 96 99 10 93 87 96 102 10 93 87 96 105 10 90 87 84 114 3 90 87 96 99 10 90 87 96 102 10 90 87 96 105 10 87 84 114 117 3 87 96 105 108 11 87 96 105 111 11 84 87 96 99 10 84 87 96 102 10 84 114 105 108 10 84 114 105 111 10 171 168 174 177 1 171 168 -174 177 2 168 174 180 183 3 153 144 138 156 11 150 144 138 156 11 147 144 138 156 11 144 138 156 159 11 144 138 156 162 11 144 138 156 165 11 141 138 132 168 10 141 138 144 147 12 141 138 144 150 12 141 138 144 153 12 141 138 156 159 12 141 138 156 162 12 141 138 156 165 12 135 132 138 141 10 135 132 138 144 10 135 132 138 156 10 135 132 168 171 15 135 132 -168 171 16 135 132 168 174 3 132 138 144 147 11 132 138 144 150 11 132 138 144 153 11 132 138 156 159 11 132 138 156 162 11 132 138 156 165 11 132 168 174 177 2 129 126 132 135 3 129 126 132 138 3 129 126 132 168 3 126 132 138 141 10 204 201 207 210 1 204 201 -207 210 2 201 207 213 216 3 201 207 213 219 3 192 186 180 201 10 192 186 195 198 23 189 186 180 201 10 189 186 195 198 23 183 180 186 189 10 183 180 186 192 10 183 180 186 195 10 183 180 201 204 15 183 180 -201 204 16 183 180 201 207 3 180 186 195 198 23 180 201 207 210 2 177 174 180 183 3 177 174 180 186 3 177 174 180 201 3 174 180 186 189 10 174 180 186 192 10 225 222 228 231 1 225 222 -228 231 2 222 228 234 237 3 219 213 222 225 15 219 213 -222 225 16 219 213 222 228 3 216 213 222 225 15 216 213 -222 225 16 216 213 222 228 3 213 222 228 231 2 210 207 213 216 3 210 207 213 219 3 210 207 213 222 3 270 267 273 276 1 270 267 -273 276 2 267 273 279 282 3 255 249 258 261 3 255 249 258 264 3 252 249 258 261 3 252 249 258 264 3 246 240 234 267 10 246 240 249 252 12 246 240 249 255 12 246 240 249 258 10 243 240 234 267 10 243 240 249 252 12 243 240 249 255 12 243 240 249 258 10 237 234 240 243 10 237 234 240 246 10 237 234 240 249 10 237 234 267 270 15 237 234 -267 270 16 237 234 267 273 3 234 240 249 252 11 234 240 249 255 11 234 267 273 276 2 231 228 234 237 3 231 228 234 240 3 231 228 234 267 3 228 234 240 243 10 228 234 240 246 10 312 309 315 318 1 312 309 -315 318 2 309 315 321 324 3 300 291 285 303 24 300 291 -285 303 25 297 291 285 303 24 297 291 -285 303 25 294 291 285 303 24 294 291 -285 303 25 291 285 303 306 24 291 285 -303 306 11 288 285 279 309 10 288 285 291 294 10 288 285 291 297 10 288 285 291 300 10 288 285 303 306 26 282 279 285 288 10 282 279 285 291 10 282 279 285 303 24 282 279 -285 303 25 282 279 309 312 15 282 279 -309 312 16 282 279 309 315 3 279 285 291 294 11 279 285 291 297 11 279 285 291 300 11 279 285 303 306 24 279 285 -303 306 11 279 309 315 318 2 276 273 279 282 3 276 273 279 285 3 276 273 279 309 3 273 279 285 288 10 345 342 348 351 1 345 342 -348 351 2 342 348 354 357 3 333 327 321 342 10 333 327 336 339 23 330 327 321 342 10 330 327 336 339 23 324 321 327 330 10 324 321 327 333 10 324 321 327 336 10 324 321 342 345 15 324 321 -342 345 16 324 321 342 348 3 321 327 336 339 23 321 342 348 351 2 318 315 321 324 3 318 315 321 327 3 318 315 321 342 3 315 321 327 330 10 315 321 327 333 10 393 390 396 399 1 393 390 -396 399 2 390 396 402 405 3 390 396 402 408 3 375 366 360 378 11 372 366 360 378 11 369 366 360 378 11 366 360 378 381 11 366 360 378 384 11 366 360 378 387 11 363 360 354 390 10 363 360 366 369 12 363 360 366 372 12 363 360 366 375 12 363 360 378 381 12 363 360 378 384 12 363 360 378 387 12 357 354 360 363 10 357 354 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636 633 -639 642 2 633 639 645 648 3 633 639 645 651 3 630 627 633 636 15 630 627 -633 636 16 630 627 633 639 3 627 633 639 642 2 624 618 627 630 10 624 618 627 633 10 621 618 627 630 10 621 618 627 633 10 615 609 618 621 12 615 609 618 624 12 615 609 618 627 11 612 609 618 621 12 612 609 618 624 12 612 609 618 627 11 609 618 627 630 10 606 600 597 627 3 606 600 609 612 10 606 600 609 615 10 606 600 609 618 10 603 600 597 627 3 603 600 609 612 10 603 600 609 615 10 603 600 609 618 10 600 597 627 630 3 600 609 618 621 11 600 609 618 624 11 597 600 609 612 10 597 600 609 615 10 597 627 618 621 10 597 627 618 624 10 657 654 660 663 1 657 654 -660 663 2 654 660 666 669 3 651 645 654 657 15 651 645 -654 657 16 651 645 654 660 3 648 645 654 657 15 648 645 -654 657 16 648 645 654 660 3 645 654 660 663 2 642 639 645 648 3 642 639 645 651 3 642 639 645 654 3 690 687 693 696 1 690 687 -693 696 2 687 693 699 702 3 678 672 666 687 10 678 672 681 684 23 675 672 666 687 10 675 672 681 684 23 669 666 672 675 10 669 666 672 678 10 669 666 672 681 10 669 666 687 690 15 669 666 -687 690 16 669 666 687 693 3 666 672 681 684 23 666 687 693 696 2 663 660 666 669 3 663 660 666 672 3 663 660 666 687 3 660 666 672 675 10 660 666 672 678 10 732 729 735 738 1 732 729 -735 738 2 729 735 741 744 3 720 711 705 723 24 720 711 -705 723 25 717 711 705 723 24 717 711 -705 723 25 714 711 705 723 24 714 711 -705 723 25 711 705 723 726 24 711 705 -723 726 11 708 705 699 729 10 708 705 711 714 10 708 705 711 717 10 708 705 711 720 10 708 705 723 726 26 702 699 705 708 10 702 699 705 711 10 702 699 705 723 24 702 699 -705 723 25 702 699 729 732 15 702 699 -729 732 16 702 699 729 735 3 699 705 711 714 11 699 705 711 717 11 699 705 711 720 11 699 705 723 726 24 699 705 -723 726 11 699 729 735 738 2 696 693 699 702 3 696 693 699 705 3 696 693 699 729 3 693 699 705 708 10 765 762 768 771 1 765 762 -768 771 2 762 768 774 777 3 753 747 741 762 10 753 747 756 759 23 750 747 741 762 10 750 747 756 759 23 744 741 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834 32 828 825 831 837 32 822 825 831 834 32 822 864 858 861 29 819 813 807 867 10 819 813 822 825 3 819 813 822 864 3 816 813 807 867 10 816 813 822 825 3 816 813 822 864 3 813 822 825 828 31 810 807 813 816 10 810 807 813 819 10 810 807 813 822 10 810 807 867 870 15 810 807 -867 870 16 810 807 867 873 3 804 801 807 810 3 804 801 807 813 3 804 801 807 867 3 801 807 813 816 10 801 807 813 819 10 912 909 915 918 1 912 909 -915 918 2 909 915 921 924 3 906 903 909 912 15 906 903 -909 912 16 906 903 909 915 3 903 909 915 918 2 900 894 903 906 10 900 894 903 909 10 897 894 903 906 10 897 894 903 909 10 891 885 894 897 12 891 885 894 900 12 891 885 894 903 11 888 885 894 897 12 888 885 894 900 12 888 885 894 903 11 885 894 903 906 10 882 876 873 903 3 882 876 885 888 10 882 876 885 891 10 882 876 885 894 10 879 876 873 903 3 879 876 885 888 10 879 876 885 891 10 879 876 885 894 10 876 873 903 906 3 876 885 894 897 11 876 885 894 900 11 873 876 885 888 10 873 876 885 891 10 873 903 894 897 10 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214 215 216 215 216 217 218 219 220 221 216 217 218 219 217 218 219 220 221 222 223 218 219 220 221 219 220 221 220 221 222 223 224 225 230 221 222 223 222 223 224 225 226 227 228 230 231 232 223 224 225 230 224 225 226 227 228 229 230 231 232 233 234 225 226 227 228 230 231 232 226 227 228 229 230 231 232 227 228 229 230 228 229 230 229 230 0 231 232 233 234 235 236 244 232 233 234 233 234 235 236 237 238 242 244 245 246 234 235 236 244 235 236 237 238 239 240 241 242 243 244 245 246 247 248 236 237 238 242 244 245 246 237 238 239 240 241 242 243 244 245 246 238 239 240 241 242 243 244 239 240 241 242 243 244 240 241 242 241 242 242 243 244 0 245 246 247 248 249 250 255 246 247 248 247 248 249 250 251 252 253 255 256 257 248 249 250 255 249 250 251 252 253 254 255 256 257 258 259 250 251 252 253 255 256 257 251 252 253 254 255 256 257 252 253 254 255 253 254 255 254 255 0 256 257 258 259 260 261 266 257 258 259 258 259 260 261 262 263 264 266 267 268 259 260 261 266 260 261 262 263 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308 304 305 306 305 306 307 308 309 310 320 306 307 308 307 308 309 310 311 312 316 320 321 322 308 309 310 320 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 310 311 312 316 320 321 322 311 312 313 314 315 316 317 318 319 320 321 322 312 313 314 315 316 317 318 319 320 313 314 315 316 317 318 319 320 314 315 316 315 316 316 317 318 319 320 318 319 319 0 321 322 323 324 325 326 331 322 323 324 323 324 325 326 327 328 329 331 332 333 324 325 326 331 325 326 327 328 329 330 331 332 333 334 335 326 327 328 329 331 332 333 327 328 329 330 331 332 333 328 329 330 331 329 330 331 330 331 0 332 333 334 335 336 337 345 333 334 335 334 335 336 337 338 339 343 345 346 347 335 336 337 345 336 337 338 339 340 341 342 343 344 345 346 347 348 349 337 338 339 343 345 346 347 338 339 340 341 342 343 344 345 346 347 339 340 341 342 343 344 345 340 341 342 343 344 345 341 342 343 342 343 343 344 345 0 346 347 348 349 350 351 369 347 348 349 348 349 350 351 352 353 354 369 370 371 349 350 351 369 350 351 352 353 354 355 356 357 369 370 371 372 373 351 352 353 354 369 370 371 352 353 354 355 356 357 358 359 360 369 370 371 353 354 355 356 357 369 354 355 356 357 369 355 356 357 358 359 360 361 362 369 356 357 358 359 360 357 358 359 360 358 359 360 361 362 363 366 359 360 361 362 360 361 362 361 362 363 364 365 366 367 368 362 363 366 363 364 365 366 367 368 364 365 366 367 368 365 366 366 367 368 368 0 370 371 372 373 374 375 383 371 372 373 372 373 374 375 376 377 378 383 384 385 373 374 375 383 374 375 376 377 378 379 380 383 384 385 375 376 377 378 383 384 385 376 377 378 379 380 381 382 383 384 385 377 378 379 380 383 378 379 380 383 379 380 381 382 383 380 381 382 381 382 382 0 384 385 385 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) N3 H H H CT HP HP C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 H1 SH HS C O N H CT H1 H1 C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT H1 H1 SH HS C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 H1 C O N H CT H1 H1 C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT H1 H1 SH HS C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT H1 CT HC HC HC OH HO C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 H1 C O N H CT H1 CT H1 H1 SH HS C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT H1 H1 SH HS C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 H1 SH HS C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC C O N H H C O2 O2 %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) BLA BLA BLA BLA BLA BLA BLA BLA BLA M E M E 3 E E 3 E 3 E E E 3 E E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E S E M E M E M E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E S E M E M E M E 3 E 3 E E E 3 E E E M E M E M E E M E M E M E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E S E M E M E M E 3 E E B E B E E M E M E M E 3 E 3 E E E S E M E M 3 E E 3 E E B E E M E M E M E M E E M E M E M E 3 E E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E S E M E M E M E 3 E E S E M E M E M E 3 E E B B E B E S B E B E B E S E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA %FLAG JOIN_ARRAY %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 %FLAG IROTAT %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 %FLAG RADIUS_SET %FORMAT(1a80) H(N)-modified Bondi radii (mbondi2) %FLAG RADII %FORMAT(5E16.8) 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.80000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.50000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.50000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.80000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.50000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.80000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.50000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.80000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.50000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.80000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.50000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.70000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.80000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.50000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.50000000E+00 %FLAG SCREEN %FORMAT(5E16.8) 7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 9.60000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 9.60000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 9.60000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 9.60000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 9.60000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 9.60000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01