------------------------------------------------------- Amber 7 SANDER Scripps/UCSF 2002 ------------------------------------------------------- | Sat Apr 16 16:08:00 2005 [-O]verwriting output File Assignments: | MDIN: minall.in | MDOUT: minall.out |INPCRD: minH.rst | PARM: ppo_cyc_4_o_noWT.top |RESTRT: minall.rst | REFC: refc | MDVEL: mdvel | MDEN: mden | MDCRD: mdcrd |MDINFO: mdinfo |INPDIP: inpdip |RSTDIP: rstdip Here is the input file: # Control section &cntrl ntpr = 5, cut = 10.0, ntb = 0, maxcyc = 5000, ncyc=2000, imin = 1, ntr = 0, ibelly = 0, &end &ewald &end -------------------------------------------------------------------------------- 1. RESOURCE USE: -------------------------------------------------------------------------------- | Flags: MEM_ALLOC MPI | NONPERIODIC ntb=0 and igb=0: Setting up nonperiodic simulation | New format PARM file being parsed. | Version = 1.000 Date = 04/16/05 Time = 11:03:25 NATOM = 7386 NTYPES = 14 NBONH = 3690 MBONA = 3775 NTHETH = 8391 MTHETA = 5112 NPHIH = 15547 MPHIA = 8967 NHPARM = 0 NPARM = 0 NNB = 40768 NRES = 468 NBONA = 3775 NTHETA = 5112 NPHIA = 8967 NUMBND = 71 NUMANG = 158 NPTRA = 50 NATYP = 38 NPHB = 0 IFBOX = 0 NMXRS = 86 IFCAP = 0 NEXTRA = 0 | Memory Use Allocated | Real 589155 | Hollerith 44786 | Integer 1847594 | Max Pairs 3646573 | Max Rstack 8000000 | Max Istack 8000000 | Duplicated 0 dihedrals | Duplicated 0 dihedrals -------------------------------------------------------------------------------- 2. CONTROL DATA FOR THE RUN -------------------------------------------------------------------------------- General flags: imin = 1, nmropt = 0 Nature and format of input: ntx = 1, irest = 0, ntrx = 1 Nature and format of output: ntxo = 1, ntpr = 5, ntrx = 1, ntwr = 500 iwrap = 0, ntwx = 0, ntwv = 0, ntwe = 0 ioutfm = 0, ntwprt = 0, idecomp = 0, rbornstat= 0 Potential function: ntf = 1, ntb = 0, igb = 0, nsnb = 25 ipol = 0, gbsa = 0 dielc = 1.00000, cut = 10.00000, intdiel = 1.00000 scnb = 2.00000, scee = 1.20000 Frozen or restrained atoms: ibelly = 0, ntr = 0 Energy minimization: maxcyc = 5000, ncyc = 2000, ntmin = 1 dx0 = 0.01000, dxm = 0.50000, drms = 0.00010 | PLEVEL = 1: runmd parallelization, no EKCMR -------------------------------------------------------------------------------- 3. ATOMIC COORDINATES AND VELOCITIES -------------------------------------------------------------------------------- begin time read from input coords = 0.000 ps Number of triangulated 3-point waters found: 0 | Atom division among processors: | 0 3695 7386 | Running AMBER/MPI version on 2 nodes Sum of charges from parm topology file = 0.00009974 Forcing neutrality... -------------------------------------------------------------------------------- 4. RESULTS -------------------------------------------------------------------------------- --------------------------------------------------- eedmeth=4: Setting switch to one everywhere --------------------------------------------------- | Local SIZE OF NONBOND LIST = 859858 | TOTAL SIZE OF NONBOND LIST = 1715414 NSTEP ENERGY RMS GMAX NAME NUMBER 1 3.7378E+06 4.7927E+05 4.3359E+07 CD2 1177 BOND = 649.9696 ANGLE = 2167.5838 DIHED = 4503.1962 VDWAALS = 3737761.5360 EEL = -29654.0849 HBOND = 0.0000 1-4 VDW = 2431.5060 1-4 EEL = 19891.0117 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 5 2.2641E+06 2.7802E+05 2.5156E+07 CD2 1177 BOND = 648.3270 ANGLE = 2165.4603 DIHED = 4503.0674 VDWAALS = 2264089.8046 EEL = -29657.1782 HBOND = 0.0000 1-4 VDW = 2431.5966 1-4 EEL = 19891.0087 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 10 5.9953E+05 6.5331E+04 5.9191E+06 CD2 1177 BOND = 646.5493 ANGLE = 2160.3327 DIHED = 4502.6807 VDWAALS = 599583.1617 EEL = -29685.3093 HBOND = 0.0000 1-4 VDW = 2431.8898 1-4 EEL = 19891.0014 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 15 4.0846E+04 3.2519E+03 2.9893E+05 CD2 1177 BOND = 658.5408 ANGLE = 2153.8167 DIHED = 4501.5583 VDWAALS = 40882.6309 EEL = -29674.2039 HBOND = 0.0000 1-4 VDW = 2432.8470 1-4 EEL = 19890.9915 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 20 9.0929E+00 5.1371E+01 3.0247E+03 NE2 3100 BOND = 710.3565 ANGLE = 2145.9655 DIHED = 4488.0996 VDWAALS = 46.8946 EEL = -29707.7231 HBOND = 0.0000 1-4 VDW = 2434.4885 1-4 EEL = 19891.0113 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 25 -3.0637E+03 6.9109E+00 1.3179E+02 HA 2956 BOND = 455.4637 ANGLE = 1852.4093 DIHED = 4329.3124 VDWAALS = -2083.3876 EEL = -29885.1745 HBOND = 0.0000 1-4 VDW = 2384.4352 1-4 EEL = 19883.2852 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 30 -4.8532E+03 6.1051E+00 2.8231E+02 CD 3098 BOND = 359.3960 ANGLE = 1491.7702 DIHED = 4116.1785 VDWAALS = -2675.0792 EEL = -30135.6701 HBOND = 0.0000 1-4 VDW = 2183.2174 1-4 EEL = 19806.9611 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 35 -5.1492E+03 2.4761E+00 1.0401E+02 C16 7353 BOND = 259.9047 ANGLE = 1418.1296 DIHED = 4106.2240 VDWAALS = -2786.2527 EEL = -30051.6561 HBOND = 0.0000 1-4 VDW = 2131.3858 1-4 EEL = 19773.0354 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 40 -5.2108E+03 6.3753E+00 5.0751E+02 C17 7351 BOND = 331.4945 ANGLE = 1372.9946 DIHED = 4098.7039 VDWAALS = -2887.5600 EEL = -29950.6901 HBOND = 0.0000 1-4 VDW = 2082.5817 1-4 EEL = 19741.6385 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 45 -5.4300E+03 1.7828E+00 6.6824E+01 C17 7351 BOND = 245.5758 ANGLE = 1346.4862 DIHED = 4094.4334 VDWAALS = -2948.4346 EEL = -29941.9030 HBOND = 0.0000 1-4 VDW = 2052.1811 1-4 EEL = 19721.6295 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 50 -5.5474E+03 1.4682E+00 2.2453E+01 C17 7351 BOND = 241.0622 ANGLE = 1331.2070 DIHED = 4091.3683 VDWAALS = -2994.1014 EEL = -29950.6019 HBOND = 0.0000 1-4 VDW = 2029.4064 1-4 EEL = 19704.2970 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 55 -5.5953E+03 1.4055E+00 1.4539E+01 OXT 1934 BOND = 240.2477 ANGLE = 1324.6039 DIHED = 4089.8637 VDWAALS = -3015.0962 EEL = -29950.0062 HBOND = 0.0000 1-4 VDW = 2018.8695 1-4 EEL = 19696.2469 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 60 -5.5997E+03 1.3977E+00 1.4510E+01 OXT 1934 BOND = 240.1238 ANGLE = 1323.3663 DIHED = 4089.5687 VDWAALS = -3019.1406 EEL = -29945.1724 HBOND = 0.0000 1-4 VDW = 2016.8282 1-4 EEL = 19694.6915 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 65 -5.6620E+03 1.3961E+00 1.4504E+01 OXT 1934 BOND = 240.0971 ANGLE = 1323.0841 DIHED = 4089.5021 VDWAALS = -3020.0557 EEL = -30005.3304 HBOND = 0.0000 1-4 VDW = 2016.3646 1-4 EEL = 19694.3369 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 70 -5.6709E+03 1.3943E+00 1.4497E+01 OXT 1934 BOND = 240.0705 ANGLE = 1322.7930 DIHED = 4089.4335 VDWAALS = -3021.0090 EEL = -30012.0014 HBOND = 0.0000 1-4 VDW = 2015.8848 1-4 EEL = 19693.9682 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 75 -5.7282E+03 1.3924E+00 1.4492E+01 OXT 1934 BOND = 240.0453 ANGLE = 1322.5268 DIHED = 4089.3706 VDWAALS = -3021.8777 EEL = -30067.3434 HBOND = 0.0000 1-4 VDW = 2015.4449 1-4 EEL = 19693.6307 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 80 -5.6749E+03 1.3920E+00 1.4490E+01 OXT 1934 BOND = 240.0375 ANGLE = 1322.4453 DIHED = 4089.3513 VDWAALS = -3022.1473 EEL = -30013.4541 HBOND = 0.0000 1-4 VDW = 2015.3099 1-4 EEL = 19693.5269 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 85 -5.6465E+03 1.3918E+00 1.4489E+01 OXT 1934 BOND = 240.0342 ANGLE = 1322.4101 DIHED = 4089.3429 VDWAALS = -3022.2640 EEL = -29984.7625 HBOND = 0.0000 1-4 VDW = 2015.2516 1-4 EEL = 19693.4821 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 90 -5.6208E+03 1.3918E+00 1.4489E+01 OXT 1934 BOND = 240.0330 ANGLE = 1322.3982 DIHED = 4089.3401 VDWAALS = -3022.3047 EEL = -29958.9377 HBOND = 0.0000 1-4 VDW = 2015.2318 1-4 EEL = 19693.4669 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 95 -5.6873E+03 1.3917E+00 1.4489E+01 OXT 1934 BOND = 240.0326 ANGLE = 1322.3938 DIHED = 4089.3390 VDWAALS = -3022.3170 EEL = -30025.3863 HBOND = 0.0000 1-4 VDW = 2015.2245 1-4 EEL = 19693.4613 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 100 -5.6760E+03 1.3917E+00 1.4489E+01 OXT 1934 BOND = 240.0323 ANGLE = 1322.3910 DIHED = 4089.3384 VDWAALS = -3022.3262 EEL = -30014.1522 HBOND = 0.0000 1-4 VDW = 2015.2198 1-4 EEL = 19693.4577 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 105 -5.6251E+03 1.3917E+00 1.4489E+01 OXT 1934 BOND = 240.0322 ANGLE = 1322.3898 DIHED = 4089.3381 VDWAALS = -3022.3325 EEL = -29963.1599 HBOND = 0.0000 1-4 VDW = 2015.2178 1-4 EEL = 19693.4562 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 110 -5.6487E+03 1.3918E+00 1.4489E+01 OXT 1934 BOND = 240.0322 ANGLE = 1322.3894 DIHED = 4089.3380 VDWAALS = -3022.3327 EEL = -29986.8320 HBOND = 0.0000 1-4 VDW = 2015.2172 1-4 EEL = 19693.4557 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 115 -5.6938E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0322 ANGLE = 1322.3892 DIHED = 4089.3380 VDWAALS = -3022.3313 EEL = -30031.8678 HBOND = 0.0000 1-4 VDW = 2015.2169 1-4 EEL = 19693.4554 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 120 -5.6372E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0321 ANGLE = 1322.3888 DIHED = 4089.3379 VDWAALS = -3022.3345 EEL = -29975.2519 HBOND = 0.0000 1-4 VDW = 2015.2162 1-4 EEL = 19693.4549 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 125 -5.6396E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0321 ANGLE = 1322.3883 DIHED = 4089.3377 VDWAALS = -3022.3368 EEL = -29977.6606 HBOND = 0.0000 1-4 VDW = 2015.2154 1-4 EEL = 19693.4543 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 130 -5.6658E+03 1.3918E+00 1.4489E+01 OXT 1934 BOND = 240.0320 ANGLE = 1322.3879 DIHED = 4089.3377 VDWAALS = -3022.3369 EEL = -30003.8394 HBOND = 0.0000 1-4 VDW = 2015.2148 1-4 EEL = 19693.4538 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 135 -5.6517E+03 1.3917E+00 1.4489E+01 OXT 1934 BOND = 240.0320 ANGLE = 1322.3874 DIHED = 4089.3375 VDWAALS = -3022.3396 EEL = -29989.7400 HBOND = 0.0000 1-4 VDW = 2015.2139 1-4 EEL = 19693.4532 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 140 -5.6858E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0320 ANGLE = 1322.3872 DIHED = 4089.3375 VDWAALS = -3022.3381 EEL = -30023.9161 HBOND = 0.0000 1-4 VDW = 2015.2135 1-4 EEL = 19693.4529 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 145 -5.6740E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0319 ANGLE = 1322.3865 DIHED = 4089.3373 VDWAALS = -3022.3408 EEL = -30012.0394 HBOND = 0.0000 1-4 VDW = 2015.2125 1-4 EEL = 19693.4521 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 150 -5.6594E+03 1.3919E+00 1.4489E+01 OXT 1934 BOND = 240.0319 ANGLE = 1322.3861 DIHED = 4089.3372 VDWAALS = -3022.3430 EEL = -29997.5188 HBOND = 0.0000 1-4 VDW = 2015.2118 1-4 EEL = 19693.4515 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 155 -5.6437E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0318 ANGLE = 1322.3852 DIHED = 4089.3370 VDWAALS = -3022.3466 EEL = -29981.8076 HBOND = 0.0000 1-4 VDW = 2015.2102 1-4 EEL = 19693.4503 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 160 -5.6257E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0318 ANGLE = 1322.3848 DIHED = 4089.3369 VDWAALS = -3022.3478 EEL = -29963.8106 HBOND = 0.0000 1-4 VDW = 2015.2097 1-4 EEL = 19693.4499 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 165 -5.6823E+03 1.3918E+00 1.4489E+01 OXT 1934 BOND = 240.0317 ANGLE = 1322.3844 DIHED = 4089.3368 VDWAALS = -3022.3466 EEL = -30020.3433 HBOND = 0.0000 1-4 VDW = 2015.2090 1-4 EEL = 19693.4494 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 170 -5.6484E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0316 ANGLE = 1322.3837 DIHED = 4089.3366 VDWAALS = -3022.3512 EEL = -29986.4239 HBOND = 0.0000 1-4 VDW = 2015.2078 1-4 EEL = 19693.4484 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 175 -5.6742E+03 1.3918E+00 1.4489E+01 OXT 1934 BOND = 240.0316 ANGLE = 1322.3832 DIHED = 4089.3365 VDWAALS = -3022.3520 EEL = -30012.2540 HBOND = 0.0000 1-4 VDW = 2015.2070 1-4 EEL = 19693.4478 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 180 -5.6888E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0315 ANGLE = 1322.3825 DIHED = 4089.3364 VDWAALS = -3022.3543 EEL = -30026.8604 HBOND = 0.0000 1-4 VDW = 2015.2057 1-4 EEL = 19693.4469 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 185 -5.6925E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0315 ANGLE = 1322.3817 DIHED = 4089.3362 VDWAALS = -3022.3560 EEL = -30030.5197 HBOND = 0.0000 1-4 VDW = 2015.2045 1-4 EEL = 19693.4459 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 190 -5.6286E+03 1.3915E+00 1.4489E+01 OXT 1934 BOND = 240.0313 ANGLE = 1322.3806 DIHED = 4089.3359 VDWAALS = -3022.3614 EEL = -29966.6691 HBOND = 0.0000 1-4 VDW = 2015.2026 1-4 EEL = 19693.4445 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 195 -5.6236E+03 1.3918E+00 1.4489E+01 OXT 1934 BOND = 240.0313 ANGLE = 1322.3801 DIHED = 4089.3358 VDWAALS = -3022.3649 EEL = -29961.5833 HBOND = 0.0000 1-4 VDW = 2015.2018 1-4 EEL = 19693.4438 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 200 -5.6564E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0312 ANGLE = 1322.3792 DIHED = 4089.3356 VDWAALS = -3022.3643 EEL = -29994.4472 HBOND = 0.0000 1-4 VDW = 2015.2003 1-4 EEL = 19693.4427 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 205 -5.6086E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0312 ANGLE = 1322.3788 DIHED = 4089.3355 VDWAALS = -3022.3667 EEL = -29946.6378 HBOND = 0.0000 1-4 VDW = 2015.1996 1-4 EEL = 19693.4422 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 210 -5.6485E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0311 ANGLE = 1322.3783 DIHED = 4089.3354 VDWAALS = -3022.3682 EEL = -29986.5465 HBOND = 0.0000 1-4 VDW = 2015.1988 1-4 EEL = 19693.4416 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 215 -5.6526E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0311 ANGLE = 1322.3775 DIHED = 4089.3352 VDWAALS = -3022.3701 EEL = -29990.5718 HBOND = 0.0000 1-4 VDW = 2015.1976 1-4 EEL = 19693.4406 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 220 -5.6665E+03 1.3915E+00 1.4489E+01 OXT 1934 BOND = 240.0310 ANGLE = 1322.3769 DIHED = 4089.3350 VDWAALS = -3022.3713 EEL = -30004.5461 HBOND = 0.0000 1-4 VDW = 2015.1965 1-4 EEL = 19693.4398 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 225 -5.6439E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0310 ANGLE = 1322.3766 DIHED = 4089.3350 VDWAALS = -3022.3731 EEL = -29981.8966 HBOND = 0.0000 1-4 VDW = 2015.1961 1-4 EEL = 19693.4395 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 230 -5.6824E+03 1.3915E+00 1.4489E+01 OXT 1934 BOND = 240.0309 ANGLE = 1322.3763 DIHED = 4089.3349 VDWAALS = -3022.3737 EEL = -30020.3824 HBOND = 0.0000 1-4 VDW = 2015.1954 1-4 EEL = 19693.4390 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 235 -5.6831E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0309 ANGLE = 1322.3756 DIHED = 4089.3347 VDWAALS = -3022.3754 EEL = -30021.0959 HBOND = 0.0000 1-4 VDW = 2015.1943 1-4 EEL = 19693.4381 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 240 -5.6848E+03 1.3915E+00 1.4489E+01 OXT 1934 BOND = 240.0308 ANGLE = 1322.3752 DIHED = 4089.3346 VDWAALS = -3022.3770 EEL = -30022.8318 HBOND = 0.0000 1-4 VDW = 2015.1936 1-4 EEL = 19693.4376 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 245 -5.6667E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0308 ANGLE = 1322.3748 DIHED = 4089.3345 VDWAALS = -3022.3772 EEL = -30004.6578 HBOND = 0.0000 1-4 VDW = 2015.1931 1-4 EEL = 19693.4372 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 250 -5.6518E+03 1.3915E+00 1.4489E+01 OXT 1934 BOND = 240.0308 ANGLE = 1322.3746 DIHED = 4089.3345 VDWAALS = -3022.3800 EEL = -29989.7528 HBOND = 0.0000 1-4 VDW = 2015.1927 1-4 EEL = 19693.4369 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 255 -5.6909E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0307 ANGLE = 1322.3737 DIHED = 4089.3343 VDWAALS = -3022.3810 EEL = -30028.8624 HBOND = 0.0000 1-4 VDW = 2015.1912 1-4 EEL = 19693.4357 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 260 -5.5888E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0307 ANGLE = 1322.3734 DIHED = 4089.3342 VDWAALS = -3022.3862 EEL = -29926.8040 HBOND = 0.0000 1-4 VDW = 2015.1907 1-4 EEL = 19693.4354 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 265 -5.6326E+03 1.3915E+00 1.4489E+01 OXT 1934 BOND = 240.0306 ANGLE = 1322.3727 DIHED = 4089.3340 VDWAALS = -3022.3860 EEL = -29970.5842 HBOND = 0.0000 1-4 VDW = 2015.1896 1-4 EEL = 19693.4345 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 270 -5.6281E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0306 ANGLE = 1322.3725 DIHED = 4089.3340 VDWAALS = -3022.3889 EEL = -29966.0954 HBOND = 0.0000 1-4 VDW = 2015.1892 1-4 EEL = 19693.4342 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 275 -5.6666E+03 1.3915E+00 1.4489E+01 OXT 1934 BOND = 240.0305 ANGLE = 1322.3721 DIHED = 4089.3339 VDWAALS = -3022.3880 EEL = -30004.6023 HBOND = 0.0000 1-4 VDW = 2015.1886 1-4 EEL = 19693.4337 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 280 -5.6433E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0305 ANGLE = 1322.3716 DIHED = 4089.3338 VDWAALS = -3022.3896 EEL = -29981.2796 HBOND = 0.0000 1-4 VDW = 2015.1876 1-4 EEL = 19693.4330 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 285 -5.6717E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0304 ANGLE = 1322.3711 DIHED = 4089.3337 VDWAALS = -3022.3905 EEL = -30009.6962 HBOND = 0.0000 1-4 VDW = 2015.1869 1-4 EEL = 19693.4324 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 290 -5.6135E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0304 ANGLE = 1322.3709 DIHED = 4089.3336 VDWAALS = -3022.3928 EEL = -29951.4603 HBOND = 0.0000 1-4 VDW = 2015.1865 1-4 EEL = 19693.4321 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 295 -5.6317E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0303 ANGLE = 1322.3699 DIHED = 4089.3334 VDWAALS = -3022.3965 EEL = -29969.6957 HBOND = 0.0000 1-4 VDW = 2015.1848 1-4 EEL = 19693.4308 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 300 -5.6600E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0303 ANGLE = 1322.3695 DIHED = 4089.3333 VDWAALS = -3022.3972 EEL = -29997.9609 HBOND = 0.0000 1-4 VDW = 2015.1842 1-4 EEL = 19693.4304 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 305 -5.6663E+03 1.3915E+00 1.4489E+01 OXT 1934 BOND = 240.0302 ANGLE = 1322.3689 DIHED = 4089.3331 VDWAALS = -3022.3993 EEL = -30004.2771 HBOND = 0.0000 1-4 VDW = 2015.1832 1-4 EEL = 19693.4296 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 310 -5.6458E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0302 ANGLE = 1322.3686 DIHED = 4089.3331 VDWAALS = -3022.3996 EEL = -29983.7880 HBOND = 0.0000 1-4 VDW = 2015.1827 1-4 EEL = 19693.4292 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 315 -5.6427E+03 1.3915E+00 1.4489E+01 OXT 1934 BOND = 240.0302 ANGLE = 1322.3684 DIHED = 4089.3330 VDWAALS = -3022.4001 EEL = -29980.6915 HBOND = 0.0000 1-4 VDW = 2015.1825 1-4 EEL = 19693.4290 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 320 -5.6490E+03 1.3915E+00 1.4489E+01 OXT 1934 BOND = 240.0301 ANGLE = 1322.3671 DIHED = 4089.3327 VDWAALS = -3022.4051 EEL = -29986.9188 HBOND = 0.0000 1-4 VDW = 2015.1802 1-4 EEL = 19693.4273 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 325 -5.6480E+03 1.3915E+00 1.4489E+01 OXT 1934 BOND = 240.0300 ANGLE = 1322.3664 DIHED = 4089.3325 VDWAALS = -3022.4076 EEL = -29985.9391 HBOND = 0.0000 1-4 VDW = 2015.1790 1-4 EEL = 19693.4264 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 330 -5.6649E+03 1.3915E+00 1.4489E+01 OXT 1934 BOND = 240.0299 ANGLE = 1322.3657 DIHED = 4089.3324 VDWAALS = -3022.4091 EEL = -30002.7916 HBOND = 0.0000 1-4 VDW = 2015.1779 1-4 EEL = 19693.4255 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 335 -5.6446E+03 1.3918E+00 1.4489E+01 OXT 1934 BOND = 240.0299 ANGLE = 1322.3652 DIHED = 4089.3323 VDWAALS = -3022.4109 EEL = -29982.5008 HBOND = 0.0000 1-4 VDW = 2015.1771 1-4 EEL = 19693.4249 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 340 -5.6853E+03 1.3915E+00 1.4489E+01 OXT 1934 BOND = 240.0298 ANGLE = 1322.3648 DIHED = 4089.3321 VDWAALS = -3022.4112 EEL = -30023.2517 HBOND = 0.0000 1-4 VDW = 2015.1763 1-4 EEL = 19693.4243 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 345 -5.6706E+03 1.3918E+00 1.4489E+01 OXT 1934 BOND = 240.0298 ANGLE = 1322.3643 DIHED = 4089.3320 VDWAALS = -3022.4126 EEL = -30008.4803 HBOND = 0.0000 1-4 VDW = 2015.1756 1-4 EEL = 19693.4238 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 350 -5.6682E+03 1.3915E+00 1.4489E+01 OXT 1934 BOND = 240.0297 ANGLE = 1322.3636 DIHED = 4089.3319 VDWAALS = -3022.4156 EEL = -30006.0763 HBOND = 0.0000 1-4 VDW = 2015.1744 1-4 EEL = 19693.4228 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 355 -5.6813E+03 1.3916E+00 1.4489E+01 OXT 1934 BOND = 240.0297 ANGLE = 1322.3631 DIHED = 4089.3318 VDWAALS = -3022.4174 EEL = -30019.2033 HBOND = 0.0000 1-4 VDW = 2015.1737 1-4 EEL = 19693.4223 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 360 -5.6165E+03 1.3916E+00 1.4488E+01 OXT 1934 BOND = 240.0296 ANGLE = 1322.3622 DIHED = 4089.3315 VDWAALS = -3022.4220 EEL = -29954.4398 HBOND = 0.0000 1-4 VDW = 2015.1721 1-4 EEL = 19693.4211 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 365 -5.6681E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0296 ANGLE = 1322.3619 DIHED = 4089.3315 VDWAALS = -3022.4199 EEL = -30005.9843 HBOND = 0.0000 1-4 VDW = 2015.1716 1-4 EEL = 19693.4206 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 370 -5.6344E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0295 ANGLE = 1322.3616 DIHED = 4089.3314 VDWAALS = -3022.4219 EEL = -29972.2662 HBOND = 0.0000 1-4 VDW = 2015.1712 1-4 EEL = 19693.4203 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 375 -5.6373E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0295 ANGLE = 1322.3611 DIHED = 4089.3313 VDWAALS = -3022.4243 EEL = -29975.1963 HBOND = 0.0000 1-4 VDW = 2015.1703 1-4 EEL = 19693.4197 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 380 -5.6218E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0294 ANGLE = 1322.3607 DIHED = 4089.3312 VDWAALS = -3022.4267 EEL = -29959.6687 HBOND = 0.0000 1-4 VDW = 2015.1696 1-4 EEL = 19693.4191 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 385 -5.6363E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0294 ANGLE = 1322.3603 DIHED = 4089.3311 VDWAALS = -3022.4271 EEL = -29974.1480 HBOND = 0.0000 1-4 VDW = 2015.1690 1-4 EEL = 19693.4187 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 390 -5.7017E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0294 ANGLE = 1322.3600 DIHED = 4089.3310 VDWAALS = -3022.4256 EEL = -30039.5673 HBOND = 0.0000 1-4 VDW = 2015.1685 1-4 EEL = 19693.4183 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 395 -5.7101E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0293 ANGLE = 1322.3592 DIHED = 4089.3308 VDWAALS = -3022.4282 EEL = -30047.9378 HBOND = 0.0000 1-4 VDW = 2015.1671 1-4 EEL = 19693.4172 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 400 -5.6930E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0293 ANGLE = 1322.3586 DIHED = 4089.3307 VDWAALS = -3022.4301 EEL = -30030.9026 HBOND = 0.0000 1-4 VDW = 2015.1662 1-4 EEL = 19693.4165 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 405 -5.6672E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0292 ANGLE = 1322.3584 DIHED = 4089.3306 VDWAALS = -3022.4311 EEL = -30005.0901 HBOND = 0.0000 1-4 VDW = 2015.1658 1-4 EEL = 19693.4162 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 410 -5.6371E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0292 ANGLE = 1322.3579 DIHED = 4089.3305 VDWAALS = -3022.4350 EEL = -29974.9543 HBOND = 0.0000 1-4 VDW = 2015.1649 1-4 EEL = 19693.4155 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 415 -5.6581E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0291 ANGLE = 1322.3573 DIHED = 4089.3304 VDWAALS = -3022.4362 EEL = -29995.9143 HBOND = 0.0000 1-4 VDW = 2015.1639 1-4 EEL = 19693.4148 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 420 -5.6671E+03 1.3916E+00 1.4488E+01 OXT 1934 BOND = 240.0291 ANGLE = 1322.3570 DIHED = 4089.3303 VDWAALS = -3022.4362 EEL = -30004.9950 HBOND = 0.0000 1-4 VDW = 2015.1634 1-4 EEL = 19693.4144 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 425 -5.6690E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0290 ANGLE = 1322.3564 DIHED = 4089.3302 VDWAALS = -3022.4387 EEL = -30006.8713 HBOND = 0.0000 1-4 VDW = 2015.1625 1-4 EEL = 19693.4137 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 430 -5.6575E+03 1.3917E+00 1.4488E+01 OXT 1934 BOND = 240.0290 ANGLE = 1322.3560 DIHED = 4089.3301 VDWAALS = -3022.4409 EEL = -29995.3787 HBOND = 0.0000 1-4 VDW = 2015.1618 1-4 EEL = 19693.4131 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 435 -5.6881E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0289 ANGLE = 1322.3545 DIHED = 4089.3297 VDWAALS = -3022.4440 EEL = -30025.9257 HBOND = 0.0000 1-4 VDW = 2015.1593 1-4 EEL = 19693.4112 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 440 -5.6374E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0288 ANGLE = 1322.3535 DIHED = 4089.3295 VDWAALS = -3022.4486 EEL = -29975.2374 HBOND = 0.0000 1-4 VDW = 2015.1577 1-4 EEL = 19693.4100 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 445 -5.6733E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0287 ANGLE = 1322.3531 DIHED = 4089.3294 VDWAALS = -3022.4499 EEL = -30011.1220 HBOND = 0.0000 1-4 VDW = 2015.1570 1-4 EEL = 19693.4095 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 450 -5.6557E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0287 ANGLE = 1322.3529 DIHED = 4089.3293 VDWAALS = -3022.4514 EEL = -29993.4918 HBOND = 0.0000 1-4 VDW = 2015.1567 1-4 EEL = 19693.4092 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 455 -5.6645E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0286 ANGLE = 1322.3521 DIHED = 4089.3291 VDWAALS = -3022.4530 EEL = -30002.2728 HBOND = 0.0000 1-4 VDW = 2015.1553 1-4 EEL = 19693.4082 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 460 -5.6746E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0286 ANGLE = 1322.3518 DIHED = 4089.3291 VDWAALS = -3022.4533 EEL = -30012.4652 HBOND = 0.0000 1-4 VDW = 2015.1549 1-4 EEL = 19693.4078 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 465 -5.6699E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0285 ANGLE = 1322.3510 DIHED = 4089.3289 VDWAALS = -3022.4562 EEL = -30007.7235 HBOND = 0.0000 1-4 VDW = 2015.1534 1-4 EEL = 19693.4067 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 470 -5.6380E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0285 ANGLE = 1322.3504 DIHED = 4089.3287 VDWAALS = -3022.4599 EEL = -29975.8377 HBOND = 0.0000 1-4 VDW = 2015.1526 1-4 EEL = 19693.4061 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 475 -5.6617E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0284 ANGLE = 1322.3501 DIHED = 4089.3287 VDWAALS = -3022.4601 EEL = -29999.4782 HBOND = 0.0000 1-4 VDW = 2015.1520 1-4 EEL = 19693.4056 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 480 -5.6521E+03 1.3916E+00 1.4488E+01 OXT 1934 BOND = 240.0284 ANGLE = 1322.3496 DIHED = 4089.3285 VDWAALS = -3022.4623 EEL = -29989.8820 HBOND = 0.0000 1-4 VDW = 2015.1512 1-4 EEL = 19693.4050 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 485 -5.6417E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0284 ANGLE = 1322.3493 DIHED = 4089.3285 VDWAALS = -3022.4620 EEL = -29979.5028 HBOND = 0.0000 1-4 VDW = 2015.1507 1-4 EEL = 19693.4046 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 490 -5.6657E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0283 ANGLE = 1322.3482 DIHED = 4089.3282 VDWAALS = -3022.4663 EEL = -30003.4886 HBOND = 0.0000 1-4 VDW = 2015.1489 1-4 EEL = 19693.4032 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 495 -5.6829E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0282 ANGLE = 1322.3479 DIHED = 4089.3281 VDWAALS = -3022.4667 EEL = -30020.7273 HBOND = 0.0000 1-4 VDW = 2015.1483 1-4 EEL = 19693.4028 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 500 -5.6226E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0282 ANGLE = 1322.3471 DIHED = 4089.3280 VDWAALS = -3022.4723 EEL = -29960.3398 HBOND = 0.0000 1-4 VDW = 2015.1470 1-4 EEL = 19693.4018 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 505 -5.6652E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0281 ANGLE = 1322.3469 DIHED = 4089.3279 VDWAALS = -3022.4696 EEL = -30003.0152 HBOND = 0.0000 1-4 VDW = 2015.1467 1-4 EEL = 19693.4015 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 510 -5.6839E+03 1.3916E+00 1.4488E+01 OXT 1934 BOND = 240.0281 ANGLE = 1322.3465 DIHED = 4089.3278 VDWAALS = -3022.4722 EEL = -30021.7268 HBOND = 0.0000 1-4 VDW = 2015.1460 1-4 EEL = 19693.4010 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 515 -5.6359E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0280 ANGLE = 1322.3458 DIHED = 4089.3276 VDWAALS = -3022.4755 EEL = -29973.6582 HBOND = 0.0000 1-4 VDW = 2015.1449 1-4 EEL = 19693.4002 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 520 -5.7011E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0280 ANGLE = 1322.3453 DIHED = 4089.3275 VDWAALS = -3022.4734 EEL = -30038.9048 HBOND = 0.0000 1-4 VDW = 2015.1441 1-4 EEL = 19693.3996 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 525 -5.6896E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0279 ANGLE = 1322.3446 DIHED = 4089.3274 VDWAALS = -3022.4756 EEL = -30027.3730 HBOND = 0.0000 1-4 VDW = 2015.1429 1-4 EEL = 19693.3987 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 530 -5.6119E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0278 ANGLE = 1322.3435 DIHED = 4089.3271 VDWAALS = -3022.4839 EEL = -29949.6877 HBOND = 0.0000 1-4 VDW = 2015.1411 1-4 EEL = 19693.3972 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 535 -5.6336E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0278 ANGLE = 1322.3430 DIHED = 4089.3270 VDWAALS = -3022.4850 EEL = -29971.3792 HBOND = 0.0000 1-4 VDW = 2015.1403 1-4 EEL = 19693.3966 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 540 -5.6657E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0277 ANGLE = 1322.3427 DIHED = 4089.3269 VDWAALS = -3022.4833 EEL = -30003.4344 HBOND = 0.0000 1-4 VDW = 2015.1397 1-4 EEL = 19693.3962 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 545 -5.6290E+03 1.3916E+00 1.4488E+01 OXT 1934 BOND = 240.0277 ANGLE = 1322.3422 DIHED = 4089.3268 VDWAALS = -3022.4872 EEL = -29966.7517 HBOND = 0.0000 1-4 VDW = 2015.1390 1-4 EEL = 19693.3956 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 550 -5.6207E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0276 ANGLE = 1322.3418 DIHED = 4089.3267 VDWAALS = -3022.4888 EEL = -29958.4397 HBOND = 0.0000 1-4 VDW = 2015.1383 1-4 EEL = 19693.3951 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 555 -5.6464E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0276 ANGLE = 1322.3417 DIHED = 4089.3267 VDWAALS = -3022.4889 EEL = -29984.1106 HBOND = 0.0000 1-4 VDW = 2015.1381 1-4 EEL = 19693.3949 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 560 -5.6469E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0276 ANGLE = 1322.3413 DIHED = 4089.3266 VDWAALS = -3022.4890 EEL = -29984.6808 HBOND = 0.0000 1-4 VDW = 2015.1374 1-4 EEL = 19693.3944 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 565 -5.6440E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0275 ANGLE = 1322.3405 DIHED = 4089.3264 VDWAALS = -3022.4917 EEL = -29981.7770 HBOND = 0.0000 1-4 VDW = 2015.1360 1-4 EEL = 19693.3933 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 570 -5.6459E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0275 ANGLE = 1322.3401 DIHED = 4089.3263 VDWAALS = -3022.4940 EEL = -29983.6245 HBOND = 0.0000 1-4 VDW = 2015.1354 1-4 EEL = 19693.3929 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 575 -5.6315E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0274 ANGLE = 1322.3397 DIHED = 4089.3262 VDWAALS = -3022.4960 EEL = -29969.2637 HBOND = 0.0000 1-4 VDW = 2015.1348 1-4 EEL = 19693.3924 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 580 -5.6617E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0274 ANGLE = 1322.3388 DIHED = 4089.3260 VDWAALS = -3022.4972 EEL = -29999.4431 HBOND = 0.0000 1-4 VDW = 2015.1333 1-4 EEL = 19693.3912 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 585 -5.6360E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0273 ANGLE = 1322.3386 DIHED = 4089.3259 VDWAALS = -3022.4985 EEL = -29973.7618 HBOND = 0.0000 1-4 VDW = 2015.1329 1-4 EEL = 19693.3910 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 590 -5.6209E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0273 ANGLE = 1322.3380 DIHED = 4089.3258 VDWAALS = -3022.5020 EEL = -29958.6144 HBOND = 0.0000 1-4 VDW = 2015.1319 1-4 EEL = 19693.3902 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 595 -5.6560E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0273 ANGLE = 1322.3378 DIHED = 4089.3257 VDWAALS = -3022.5015 EEL = -29993.6729 HBOND = 0.0000 1-4 VDW = 2015.1316 1-4 EEL = 19693.3899 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 600 -5.6147E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0272 ANGLE = 1322.3368 DIHED = 4089.3255 VDWAALS = -3022.5051 EEL = -29952.4439 HBOND = 0.0000 1-4 VDW = 2015.1299 1-4 EEL = 19693.3887 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 605 -5.6393E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0271 ANGLE = 1322.3366 DIHED = 4089.3255 VDWAALS = -3022.5057 EEL = -29977.0310 HBOND = 0.0000 1-4 VDW = 2015.1296 1-4 EEL = 19693.3884 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 610 -5.6577E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0270 ANGLE = 1322.3354 DIHED = 4089.3252 VDWAALS = -3022.5083 EEL = -29995.3473 HBOND = 0.0000 1-4 VDW = 2015.1275 1-4 EEL = 19693.3868 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 615 -5.6761E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0270 ANGLE = 1322.3349 DIHED = 4089.3250 VDWAALS = -3022.5086 EEL = -30013.8241 HBOND = 0.0000 1-4 VDW = 2015.1267 1-4 EEL = 19693.3862 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 620 -5.6493E+03 1.3916E+00 1.4488E+01 OXT 1934 BOND = 240.0269 ANGLE = 1322.3345 DIHED = 4089.3249 VDWAALS = -3022.5114 EEL = -29986.9764 HBOND = 0.0000 1-4 VDW = 2015.1261 1-4 EEL = 19693.3857 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 625 -5.6137E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0269 ANGLE = 1322.3340 DIHED = 4089.3248 VDWAALS = -3022.5148 EEL = -29951.4155 HBOND = 0.0000 1-4 VDW = 2015.1253 1-4 EEL = 19693.3851 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 630 -5.6172E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0269 ANGLE = 1322.3337 DIHED = 4089.3248 VDWAALS = -3022.5148 EEL = -29954.8484 HBOND = 0.0000 1-4 VDW = 2015.1248 1-4 EEL = 19693.3847 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 635 -5.6791E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0268 ANGLE = 1322.3334 DIHED = 4089.3247 VDWAALS = -3022.5146 EEL = -30016.7873 HBOND = 0.0000 1-4 VDW = 2015.1243 1-4 EEL = 19693.3843 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 640 -5.6792E+03 1.3912E+00 1.4488E+01 OXT 1934 BOND = 240.0268 ANGLE = 1322.3330 DIHED = 4089.3246 VDWAALS = -3022.5152 EEL = -30016.8657 HBOND = 0.0000 1-4 VDW = 2015.1237 1-4 EEL = 19693.3839 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 645 -5.6774E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0268 ANGLE = 1322.3328 DIHED = 4089.3245 VDWAALS = -3022.5155 EEL = -30015.0814 HBOND = 0.0000 1-4 VDW = 2015.1233 1-4 EEL = 19693.3836 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 650 -5.6368E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0267 ANGLE = 1322.3323 DIHED = 4089.3244 VDWAALS = -3022.5188 EEL = -29974.4376 HBOND = 0.0000 1-4 VDW = 2015.1224 1-4 EEL = 19693.3829 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 655 -5.6213E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0267 ANGLE = 1322.3319 DIHED = 4089.3243 VDWAALS = -3022.5214 EEL = -29958.9863 HBOND = 0.0000 1-4 VDW = 2015.1218 1-4 EEL = 19693.3824 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 660 -5.6896E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0266 ANGLE = 1322.3313 DIHED = 4089.3242 VDWAALS = -3022.5213 EEL = -30027.2896 HBOND = 0.0000 1-4 VDW = 2015.1209 1-4 EEL = 19693.3817 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 665 -5.6441E+03 1.3912E+00 1.4488E+01 OXT 1934 BOND = 240.0266 ANGLE = 1322.3310 DIHED = 4089.3241 VDWAALS = -3022.5234 EEL = -29981.8067 HBOND = 0.0000 1-4 VDW = 2015.1203 1-4 EEL = 19693.3813 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 670 -5.5989E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0265 ANGLE = 1322.3300 DIHED = 4089.3239 VDWAALS = -3022.5287 EEL = -29936.5464 HBOND = 0.0000 1-4 VDW = 2015.1186 1-4 EEL = 19693.3800 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 675 -5.6235E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0265 ANGLE = 1322.3296 DIHED = 4089.3238 VDWAALS = -3022.5286 EEL = -29961.1910 HBOND = 0.0000 1-4 VDW = 2015.1180 1-4 EEL = 19693.3795 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 680 -5.6568E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0264 ANGLE = 1322.3290 DIHED = 4089.3237 VDWAALS = -3022.5300 EEL = -29994.4483 HBOND = 0.0000 1-4 VDW = 2015.1170 1-4 EEL = 19693.3788 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 685 -5.6844E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0264 ANGLE = 1322.3288 DIHED = 4089.3236 VDWAALS = -3022.5285 EEL = -30022.0827 HBOND = 0.0000 1-4 VDW = 2015.1166 1-4 EEL = 19693.3784 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 690 -5.6222E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0263 ANGLE = 1322.3282 DIHED = 4089.3235 VDWAALS = -3022.5330 EEL = -29959.8310 HBOND = 0.0000 1-4 VDW = 2015.1156 1-4 EEL = 19693.3777 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 695 -5.6266E+03 1.3912E+00 1.4488E+01 OXT 1934 BOND = 240.0263 ANGLE = 1322.3280 DIHED = 4089.3234 VDWAALS = -3022.5342 EEL = -29964.2163 HBOND = 0.0000 1-4 VDW = 2015.1153 1-4 EEL = 19693.3774 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 700 -5.6714E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0263 ANGLE = 1322.3274 DIHED = 4089.3233 VDWAALS = -3022.5349 EEL = -30009.0519 HBOND = 0.0000 1-4 VDW = 2015.1143 1-4 EEL = 19693.3766 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 705 -5.6946E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0262 ANGLE = 1322.3271 DIHED = 4089.3232 VDWAALS = -3022.5342 EEL = -30032.2213 HBOND = 0.0000 1-4 VDW = 2015.1138 1-4 EEL = 19693.3763 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 710 -5.6557E+03 1.3912E+00 1.4488E+01 OXT 1934 BOND = 240.0262 ANGLE = 1322.3265 DIHED = 4089.3231 VDWAALS = -3022.5373 EEL = -29993.3696 HBOND = 0.0000 1-4 VDW = 2015.1129 1-4 EEL = 19693.3756 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 715 -5.6597E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0262 ANGLE = 1322.3262 DIHED = 4089.3230 VDWAALS = -3022.5390 EEL = -29997.3053 HBOND = 0.0000 1-4 VDW = 2015.1123 1-4 EEL = 19693.3751 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 720 -5.5967E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0261 ANGLE = 1322.3258 DIHED = 4089.3229 VDWAALS = -3022.5425 EEL = -29934.2910 HBOND = 0.0000 1-4 VDW = 2015.1117 1-4 EEL = 19693.3747 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 725 -5.6859E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0261 ANGLE = 1322.3256 DIHED = 4089.3228 VDWAALS = -3022.5405 EEL = -30023.5308 HBOND = 0.0000 1-4 VDW = 2015.1113 1-4 EEL = 19693.3743 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 730 -5.6188E+03 1.3912E+00 1.4488E+01 OXT 1934 BOND = 240.0261 ANGLE = 1322.3252 DIHED = 4089.3227 VDWAALS = -3022.5434 EEL = -29956.3788 HBOND = 0.0000 1-4 VDW = 2015.1106 1-4 EEL = 19693.3738 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 735 -5.6663E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0260 ANGLE = 1322.3247 DIHED = 4089.3226 VDWAALS = -3022.5441 EEL = -30003.8894 HBOND = 0.0000 1-4 VDW = 2015.1098 1-4 EEL = 19693.3732 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 740 -5.6684E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0259 ANGLE = 1322.3239 DIHED = 4089.3224 VDWAALS = -3022.5462 EEL = -30005.9955 HBOND = 0.0000 1-4 VDW = 2015.1085 1-4 EEL = 19693.3722 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 745 -5.6690E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0259 ANGLE = 1322.3234 DIHED = 4089.3223 VDWAALS = -3022.5489 EEL = -30006.5918 HBOND = 0.0000 1-4 VDW = 2015.1078 1-4 EEL = 19693.3716 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 750 -5.6733E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0258 ANGLE = 1322.3223 DIHED = 4089.3220 VDWAALS = -3022.5517 EEL = -30010.9239 HBOND = 0.0000 1-4 VDW = 2015.1058 1-4 EEL = 19693.3701 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 755 -5.6364E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0257 ANGLE = 1322.3218 DIHED = 4089.3219 VDWAALS = -3022.5560 EEL = -29974.0146 HBOND = 0.0000 1-4 VDW = 2015.1051 1-4 EEL = 19693.3696 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 760 -5.6446E+03 1.3912E+00 1.4488E+01 OXT 1934 BOND = 240.0257 ANGLE = 1322.3213 DIHED = 4089.3218 VDWAALS = -3022.5571 EEL = -29982.2271 HBOND = 0.0000 1-4 VDW = 2015.1042 1-4 EEL = 19693.3689 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 765 -5.6485E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0256 ANGLE = 1322.3208 DIHED = 4089.3217 VDWAALS = -3022.5580 EEL = -29986.0327 HBOND = 0.0000 1-4 VDW = 2015.1034 1-4 EEL = 19693.3683 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 770 -5.6834E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0256 ANGLE = 1322.3203 DIHED = 4089.3216 VDWAALS = -3022.5582 EEL = -30021.0244 HBOND = 0.0000 1-4 VDW = 2015.1025 1-4 EEL = 19693.3676 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 775 -5.6526E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0255 ANGLE = 1322.3197 DIHED = 4089.3214 VDWAALS = -3022.5619 EEL = -29990.1286 HBOND = 0.0000 1-4 VDW = 2015.1016 1-4 EEL = 19693.3669 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 780 -5.6447E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0255 ANGLE = 1322.3194 DIHED = 4089.3214 VDWAALS = -3022.5631 EEL = -29982.2487 HBOND = 0.0000 1-4 VDW = 2015.1010 1-4 EEL = 19693.3664 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 785 -5.6605E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0255 ANGLE = 1322.3189 DIHED = 4089.3213 VDWAALS = -3022.5637 EEL = -29998.0648 HBOND = 0.0000 1-4 VDW = 2015.1003 1-4 EEL = 19693.3659 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 790 -5.6557E+03 1.3912E+00 1.4488E+01 OXT 1934 BOND = 240.0254 ANGLE = 1322.3185 DIHED = 4089.3211 VDWAALS = -3022.5649 EEL = -29993.2316 HBOND = 0.0000 1-4 VDW = 2015.0995 1-4 EEL = 19693.3653 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 795 -5.6580E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0254 ANGLE = 1322.3180 DIHED = 4089.3210 VDWAALS = -3022.5662 EEL = -29995.5136 HBOND = 0.0000 1-4 VDW = 2015.0987 1-4 EEL = 19693.3647 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 800 -5.6411E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0253 ANGLE = 1322.3176 DIHED = 4089.3209 VDWAALS = -3022.5682 EEL = -29978.7065 HBOND = 0.0000 1-4 VDW = 2015.0981 1-4 EEL = 19693.3642 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 805 -5.6838E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0253 ANGLE = 1322.3174 DIHED = 4089.3209 VDWAALS = -3022.5682 EEL = -30021.3366 HBOND = 0.0000 1-4 VDW = 2015.0977 1-4 EEL = 19693.3639 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 810 -5.7150E+03 1.3912E+00 1.4488E+01 OXT 1934 BOND = 240.0253 ANGLE = 1322.3171 DIHED = 4089.3208 VDWAALS = -3022.5672 EEL = -30052.5401 HBOND = 0.0000 1-4 VDW = 2015.0972 1-4 EEL = 19693.3635 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 815 -5.6325E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0252 ANGLE = 1322.3164 DIHED = 4089.3206 VDWAALS = -3022.5726 EEL = -29970.0864 HBOND = 0.0000 1-4 VDW = 2015.0960 1-4 EEL = 19693.3626 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 820 -5.6733E+03 1.3915E+00 1.4488E+01 OXT 1934 BOND = 240.0252 ANGLE = 1322.3160 DIHED = 4089.3205 VDWAALS = -3022.5729 EEL = -30010.8153 HBOND = 0.0000 1-4 VDW = 2015.0953 1-4 EEL = 19693.3621 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 825 -5.6348E+03 1.3913E+00 1.4488E+01 OXT 1934 BOND = 240.0251 ANGLE = 1322.3150 DIHED = 4089.3203 VDWAALS = -3022.5766 EEL = -29972.3258 HBOND = 0.0000 1-4 VDW = 2015.0937 1-4 EEL = 19693.3609 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 830 -5.6596E+03 1.3914E+00 1.4488E+01 OXT 1934 BOND = 240.0250 ANGLE = 1322.3145 DIHED = 4089.3202 VDWAALS = -3022.5780 EEL = -29997.1720 HBOND = 0.0000 1-4 VDW = 2015.0930 1-4 EEL = 19693.3603 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 835 -5.6472E+03 1.3912E+00 1.4488E+01 OXT 1934 BOND = 240.0250 ANGLE = 1322.3141 DIHED = 4089.3201 VDWAALS = -3022.5793 EEL = -29984.7506 HBOND = 0.0000 1-4 VDW = 2015.0923 1-4 EEL = 19693.3598 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 840 -5.6697E+03 1.3913E+00 1.4487E+01 OXT 1934 BOND = 240.0249 ANGLE = 1322.3134 DIHED = 4089.3199 VDWAALS = -3022.5807 EEL = -30007.2745 HBOND = 0.0000 1-4 VDW = 2015.0911 1-4 EEL = 19693.3589 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 845 -5.7075E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0249 ANGLE = 1322.3128 DIHED = 4089.3198 VDWAALS = -3022.5821 EEL = -30045.0467 HBOND = 0.0000 1-4 VDW = 2015.0900 1-4 EEL = 19693.3580 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 850 -5.7064E+03 1.3913E+00 1.4487E+01 OXT 1934 BOND = 240.0249 ANGLE = 1322.3125 DIHED = 4089.3197 VDWAALS = -3022.5841 EEL = -30043.9146 HBOND = 0.0000 1-4 VDW = 2015.0896 1-4 EEL = 19693.3576 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 855 -5.6752E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0248 ANGLE = 1322.3122 DIHED = 4089.3196 VDWAALS = -3022.5863 EEL = -30012.7416 HBOND = 0.0000 1-4 VDW = 2015.0890 1-4 EEL = 19693.3572 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 860 -5.6567E+03 1.3913E+00 1.4487E+01 OXT 1934 BOND = 240.0248 ANGLE = 1322.3116 DIHED = 4089.3195 VDWAALS = -3022.5869 EEL = -29994.1834 HBOND = 0.0000 1-4 VDW = 2015.0881 1-4 EEL = 19693.3565 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 865 -5.6515E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0247 ANGLE = 1322.3111 DIHED = 4089.3194 VDWAALS = -3022.5906 EEL = -29989.0530 HBOND = 0.0000 1-4 VDW = 2015.0872 1-4 EEL = 19693.3558 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 870 -5.6737E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0247 ANGLE = 1322.3108 DIHED = 4089.3193 VDWAALS = -3022.5895 EEL = -30011.1924 HBOND = 0.0000 1-4 VDW = 2015.0868 1-4 EEL = 19693.3555 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 875 -5.6439E+03 1.3915E+00 1.4487E+01 OXT 1934 BOND = 240.0247 ANGLE = 1322.3104 DIHED = 4089.3192 VDWAALS = -3022.5922 EEL = -29981.3819 HBOND = 0.0000 1-4 VDW = 2015.0861 1-4 EEL = 19693.3550 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 880 -5.6800E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0246 ANGLE = 1322.3097 DIHED = 4089.3190 VDWAALS = -3022.5939 EEL = -30017.4858 HBOND = 0.0000 1-4 VDW = 2015.0849 1-4 EEL = 19693.3540 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 885 -5.6865E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0246 ANGLE = 1322.3095 DIHED = 4089.3190 VDWAALS = -3022.5931 EEL = -30023.9682 HBOND = 0.0000 1-4 VDW = 2015.0845 1-4 EEL = 19693.3538 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 890 -5.6577E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0245 ANGLE = 1322.3088 DIHED = 4089.3188 VDWAALS = -3022.5969 EEL = -29995.2177 HBOND = 0.0000 1-4 VDW = 2015.0834 1-4 EEL = 19693.3529 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 895 -5.6485E+03 1.3915E+00 1.4487E+01 OXT 1934 BOND = 240.0245 ANGLE = 1322.3084 DIHED = 4089.3187 VDWAALS = -3022.5989 EEL = -29985.9489 HBOND = 0.0000 1-4 VDW = 2015.0827 1-4 EEL = 19693.3524 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 900 -5.6356E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0244 ANGLE = 1322.3080 DIHED = 4089.3186 VDWAALS = -3022.6003 EEL = -29973.0952 HBOND = 0.0000 1-4 VDW = 2015.0821 1-4 EEL = 19693.3519 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 905 -5.6498E+03 1.3913E+00 1.4487E+01 OXT 1934 BOND = 240.0244 ANGLE = 1322.3073 DIHED = 4089.3185 VDWAALS = -3022.6014 EEL = -29987.3127 HBOND = 0.0000 1-4 VDW = 2015.0809 1-4 EEL = 19693.3510 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 910 -5.6523E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0243 ANGLE = 1322.3066 DIHED = 4089.3183 VDWAALS = -3022.6047 EEL = -29989.8135 HBOND = 0.0000 1-4 VDW = 2015.0798 1-4 EEL = 19693.3502 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 915 -5.6452E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0243 ANGLE = 1322.3063 DIHED = 4089.3183 VDWAALS = -3022.6061 EEL = -29982.6351 HBOND = 0.0000 1-4 VDW = 2015.0793 1-4 EEL = 19693.3498 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 920 -5.6550E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0242 ANGLE = 1322.3057 DIHED = 4089.3181 VDWAALS = -3022.6072 EEL = -29992.4843 HBOND = 0.0000 1-4 VDW = 2015.0783 1-4 EEL = 19693.3490 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 925 -5.6659E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0241 ANGLE = 1322.3050 DIHED = 4089.3179 VDWAALS = -3022.6085 EEL = -30003.3387 HBOND = 0.0000 1-4 VDW = 2015.0771 1-4 EEL = 19693.3481 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 930 -5.6505E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0241 ANGLE = 1322.3047 DIHED = 4089.3179 VDWAALS = -3022.6106 EEL = -29987.9690 HBOND = 0.0000 1-4 VDW = 2015.0765 1-4 EEL = 19693.3476 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 935 -5.6607E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0241 ANGLE = 1322.3041 DIHED = 4089.3177 VDWAALS = -3022.6114 EEL = -29998.1754 HBOND = 0.0000 1-4 VDW = 2015.0756 1-4 EEL = 19693.3470 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 940 -5.6836E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0240 ANGLE = 1322.3035 DIHED = 4089.3176 VDWAALS = -3022.6127 EEL = -30021.0487 HBOND = 0.0000 1-4 VDW = 2015.0745 1-4 EEL = 19693.3461 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 945 -5.6167E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0240 ANGLE = 1322.3032 DIHED = 4089.3175 VDWAALS = -3022.6171 EEL = -29954.1237 HBOND = 0.0000 1-4 VDW = 2015.0741 1-4 EEL = 19693.3458 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 950 -5.6653E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0239 ANGLE = 1322.3025 DIHED = 4089.3173 VDWAALS = -3022.6160 EEL = -30002.7503 HBOND = 0.0000 1-4 VDW = 2015.0729 1-4 EEL = 19693.3449 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 955 -5.6452E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0239 ANGLE = 1322.3020 DIHED = 4089.3172 VDWAALS = -3022.6192 EEL = -29982.6541 HBOND = 0.0000 1-4 VDW = 2015.0721 1-4 EEL = 19693.3443 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 960 -5.6849E+03 1.3914E+00 1.4487E+01 OXT 1934 BOND = 240.0238 ANGLE = 1322.3016 DIHED = 4089.3171 VDWAALS = -3022.6190 EEL = -30022.3168 HBOND = 0.0000 1-4 VDW = 2015.0714 1-4 EEL = 19693.3437 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 965 -5.6534E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0238 ANGLE = 1322.3011 DIHED = 4089.3170 VDWAALS = -3022.6219 EEL = -29990.8690 HBOND = 0.0000 1-4 VDW = 2015.0707 1-4 EEL = 19693.3431 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 970 -5.6559E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0238 ANGLE = 1322.3009 DIHED = 4089.3170 VDWAALS = -3022.6226 EEL = -29993.2855 HBOND = 0.0000 1-4 VDW = 2015.0704 1-4 EEL = 19693.3429 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 975 -5.6729E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0236 ANGLE = 1322.2996 DIHED = 4089.3166 VDWAALS = -3022.6266 EEL = -30010.3653 HBOND = 0.0000 1-4 VDW = 2015.0681 1-4 EEL = 19693.3412 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 980 -5.6401E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0236 ANGLE = 1322.2991 DIHED = 4089.3165 VDWAALS = -3022.6301 EEL = -29977.5566 HBOND = 0.0000 1-4 VDW = 2015.0672 1-4 EEL = 19693.3405 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 985 -5.6544E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0236 ANGLE = 1322.2988 DIHED = 4089.3165 VDWAALS = -3022.6289 EEL = -29991.8119 HBOND = 0.0000 1-4 VDW = 2015.0669 1-4 EEL = 19693.3402 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 990 -5.6497E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0235 ANGLE = 1322.2978 DIHED = 4089.3162 VDWAALS = -3022.6331 EEL = -29987.0846 HBOND = 0.0000 1-4 VDW = 2015.0652 1-4 EEL = 19693.3389 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 995 -5.6948E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0234 ANGLE = 1322.2972 DIHED = 4089.3161 VDWAALS = -3022.6331 EEL = -30032.1607 HBOND = 0.0000 1-4 VDW = 2015.0641 1-4 EEL = 19693.3381 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1000 -5.6630E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0234 ANGLE = 1322.2968 DIHED = 4089.3160 VDWAALS = -3022.6358 EEL = -30000.3768 HBOND = 0.0000 1-4 VDW = 2015.0635 1-4 EEL = 19693.3376 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1005 -5.6289E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0233 ANGLE = 1322.2962 DIHED = 4089.3158 VDWAALS = -3022.6392 EEL = -29966.3206 HBOND = 0.0000 1-4 VDW = 2015.0624 1-4 EEL = 19693.3368 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1010 -5.6497E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0233 ANGLE = 1322.2959 DIHED = 4089.3158 VDWAALS = -3022.6394 EEL = -29987.1176 HBOND = 0.0000 1-4 VDW = 2015.0619 1-4 EEL = 19693.3364 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1015 -5.6509E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0232 ANGLE = 1322.2953 DIHED = 4089.3156 VDWAALS = -3022.6406 EEL = -29988.3241 HBOND = 0.0000 1-4 VDW = 2015.0611 1-4 EEL = 19693.3357 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1020 -5.6593E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0232 ANGLE = 1322.2947 DIHED = 4089.3155 VDWAALS = -3022.6434 EEL = -29996.7084 HBOND = 0.0000 1-4 VDW = 2015.0600 1-4 EEL = 19693.3349 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1025 -5.6404E+03 1.3913E+00 1.4487E+01 OXT 1934 BOND = 240.0231 ANGLE = 1322.2942 DIHED = 4089.3154 VDWAALS = -3022.6460 EEL = -29977.8299 HBOND = 0.0000 1-4 VDW = 2015.0592 1-4 EEL = 19693.3343 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1030 -5.6448E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0231 ANGLE = 1322.2937 DIHED = 4089.3152 VDWAALS = -3022.6470 EEL = -29982.2150 HBOND = 0.0000 1-4 VDW = 2015.0583 1-4 EEL = 19693.3336 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1035 -5.6744E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0230 ANGLE = 1322.2933 DIHED = 4089.3152 VDWAALS = -3022.6471 EEL = -30011.8106 HBOND = 0.0000 1-4 VDW = 2015.0577 1-4 EEL = 19693.3332 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1040 -5.6417E+03 1.3913E+00 1.4487E+01 OXT 1934 BOND = 240.0230 ANGLE = 1322.2929 DIHED = 4089.3151 VDWAALS = -3022.6494 EEL = -29979.0506 HBOND = 0.0000 1-4 VDW = 2015.0570 1-4 EEL = 19693.3326 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1045 -5.6599E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0229 ANGLE = 1322.2922 DIHED = 4089.3149 VDWAALS = -3022.6510 EEL = -29997.3086 HBOND = 0.0000 1-4 VDW = 2015.0558 1-4 EEL = 19693.3317 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1050 -5.6766E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0229 ANGLE = 1322.2919 DIHED = 4089.3148 VDWAALS = -3022.6509 EEL = -30013.9553 HBOND = 0.0000 1-4 VDW = 2015.0554 1-4 EEL = 19693.3314 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1055 -5.7185E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0228 ANGLE = 1322.2910 DIHED = 4089.3146 VDWAALS = -3022.6521 EEL = -30055.8321 HBOND = 0.0000 1-4 VDW = 2015.0539 1-4 EEL = 19693.3302 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1060 -5.6512E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0228 ANGLE = 1322.2908 DIHED = 4089.3145 VDWAALS = -3022.6564 EEL = -29988.5871 HBOND = 0.0000 1-4 VDW = 2015.0534 1-4 EEL = 19693.3299 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1065 -5.6290E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0226 ANGLE = 1322.2893 DIHED = 4089.3142 VDWAALS = -3022.6628 EEL = -29966.3415 HBOND = 0.0000 1-4 VDW = 2015.0510 1-4 EEL = 19693.3280 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1070 -5.6523E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0226 ANGLE = 1322.2888 DIHED = 4089.3141 VDWAALS = -3022.6631 EEL = -29989.6343 HBOND = 0.0000 1-4 VDW = 2015.0502 1-4 EEL = 19693.3274 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1075 -5.6821E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0226 ANGLE = 1322.2886 DIHED = 4089.3140 VDWAALS = -3022.6622 EEL = -30019.3936 HBOND = 0.0000 1-4 VDW = 2015.0499 1-4 EEL = 19693.3271 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1080 -5.5991E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0225 ANGLE = 1322.2877 DIHED = 4089.3138 VDWAALS = -3022.6693 EEL = -29936.3861 HBOND = 0.0000 1-4 VDW = 2015.0484 1-4 EEL = 19693.3260 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1085 -5.6408E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0225 ANGLE = 1322.2875 DIHED = 4089.3138 VDWAALS = -3022.6667 EEL = -29978.1430 HBOND = 0.0000 1-4 VDW = 2015.0480 1-4 EEL = 19693.3257 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1090 -5.6514E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0223 ANGLE = 1322.2860 DIHED = 4089.3134 VDWAALS = -3022.6727 EEL = -29988.7437 HBOND = 0.0000 1-4 VDW = 2015.0456 1-4 EEL = 19693.3238 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1095 -5.6521E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0223 ANGLE = 1322.2855 DIHED = 4089.3133 VDWAALS = -3022.6735 EEL = -29989.4558 HBOND = 0.0000 1-4 VDW = 2015.0448 1-4 EEL = 19693.3232 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1100 -5.6083E+03 1.3913E+00 1.4487E+01 OXT 1934 BOND = 240.0223 ANGLE = 1322.2851 DIHED = 4089.3132 VDWAALS = -3022.6765 EEL = -29945.6202 HBOND = 0.0000 1-4 VDW = 2015.0440 1-4 EEL = 19693.3227 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1105 -5.6354E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0222 ANGLE = 1322.2846 DIHED = 4089.3131 VDWAALS = -3022.6775 EEL = -29972.6884 HBOND = 0.0000 1-4 VDW = 2015.0433 1-4 EEL = 19693.3221 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1110 -5.6514E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0222 ANGLE = 1322.2842 DIHED = 4089.3130 VDWAALS = -3022.6778 EEL = -29988.7103 HBOND = 0.0000 1-4 VDW = 2015.0426 1-4 EEL = 19693.3216 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1115 -5.6661E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0221 ANGLE = 1322.2835 DIHED = 4089.3128 VDWAALS = -3022.6792 EEL = -30003.4151 HBOND = 0.0000 1-4 VDW = 2015.0415 1-4 EEL = 19693.3207 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1120 -5.6643E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0221 ANGLE = 1322.2831 DIHED = 4089.3127 VDWAALS = -3022.6804 EEL = -30001.6082 HBOND = 0.0000 1-4 VDW = 2015.0408 1-4 EEL = 19693.3201 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1125 -5.7003E+03 1.3909E+00 1.4487E+01 OXT 1934 BOND = 240.0220 ANGLE = 1322.2828 DIHED = 4089.3126 VDWAALS = -3022.6796 EEL = -30037.6373 HBOND = 0.0000 1-4 VDW = 2015.0402 1-4 EEL = 19693.3197 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1130 -5.6755E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0220 ANGLE = 1322.2822 DIHED = 4089.3125 VDWAALS = -3022.6833 EEL = -30012.7580 HBOND = 0.0000 1-4 VDW = 2015.0393 1-4 EEL = 19693.3190 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1135 -5.6258E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0219 ANGLE = 1322.2817 DIHED = 4089.3124 VDWAALS = -3022.6878 EEL = -29963.0529 HBOND = 0.0000 1-4 VDW = 2015.0384 1-4 EEL = 19693.3183 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1140 -5.6606E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0219 ANGLE = 1322.2813 DIHED = 4089.3123 VDWAALS = -3022.6871 EEL = -29997.8508 HBOND = 0.0000 1-4 VDW = 2015.0377 1-4 EEL = 19693.3178 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1145 -5.6833E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0218 ANGLE = 1322.2808 DIHED = 4089.3122 VDWAALS = -3022.6877 EEL = -30020.5775 HBOND = 0.0000 1-4 VDW = 2015.0370 1-4 EEL = 19693.3172 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1150 -5.6491E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0218 ANGLE = 1322.2801 DIHED = 4089.3120 VDWAALS = -3022.6914 EEL = -29986.3487 HBOND = 0.0000 1-4 VDW = 2015.0357 1-4 EEL = 19693.3163 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1155 -5.6726E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0217 ANGLE = 1322.2796 DIHED = 4089.3119 VDWAALS = -3022.6919 EEL = -30009.8698 HBOND = 0.0000 1-4 VDW = 2015.0349 1-4 EEL = 19693.3156 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1160 -5.6596E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0217 ANGLE = 1322.2789 DIHED = 4089.3117 VDWAALS = -3022.6942 EEL = -29996.9119 HBOND = 0.0000 1-4 VDW = 2015.0338 1-4 EEL = 19693.3148 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1165 -5.6802E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0216 ANGLE = 1322.2785 DIHED = 4089.3116 VDWAALS = -3022.6956 EEL = -30017.4490 HBOND = 0.0000 1-4 VDW = 2015.0330 1-4 EEL = 19693.3142 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1170 -5.6848E+03 1.3913E+00 1.4487E+01 OXT 1934 BOND = 240.0216 ANGLE = 1322.2780 DIHED = 4089.3115 VDWAALS = -3022.6967 EEL = -30022.0758 HBOND = 0.0000 1-4 VDW = 2015.0323 1-4 EEL = 19693.3136 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1175 -5.6724E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0215 ANGLE = 1322.2768 DIHED = 4089.3112 VDWAALS = -3022.7005 EEL = -30009.6468 HBOND = 0.0000 1-4 VDW = 2015.0303 1-4 EEL = 19693.3121 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1180 -5.6370E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0214 ANGLE = 1322.2763 DIHED = 4089.3111 VDWAALS = -3022.7046 EEL = -29974.2405 HBOND = 0.0000 1-4 VDW = 2015.0294 1-4 EEL = 19693.3114 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1185 -5.6712E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0214 ANGLE = 1322.2757 DIHED = 4089.3110 VDWAALS = -3022.7043 EEL = -30008.4117 HBOND = 0.0000 1-4 VDW = 2015.0285 1-4 EEL = 19693.3107 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1190 -5.6804E+03 1.3909E+00 1.4487E+01 OXT 1934 BOND = 240.0213 ANGLE = 1322.2755 DIHED = 4089.3109 VDWAALS = -3022.7054 EEL = -30017.6678 HBOND = 0.0000 1-4 VDW = 2015.0281 1-4 EEL = 19693.3104 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1195 -5.6483E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0213 ANGLE = 1322.2746 DIHED = 4089.3107 VDWAALS = -3022.7101 EEL = -29985.5785 HBOND = 0.0000 1-4 VDW = 2015.0266 1-4 EEL = 19693.3092 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1200 -5.6864E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0212 ANGLE = 1322.2743 DIHED = 4089.3106 VDWAALS = -3022.7094 EEL = -30023.6269 HBOND = 0.0000 1-4 VDW = 2015.0261 1-4 EEL = 19693.3089 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1205 -5.6246E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0212 ANGLE = 1322.2739 DIHED = 4089.3105 VDWAALS = -3022.7116 EEL = -29961.8687 HBOND = 0.0000 1-4 VDW = 2015.0255 1-4 EEL = 19693.3084 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1210 -5.6716E+03 1.3909E+00 1.4487E+01 OXT 1934 BOND = 240.0212 ANGLE = 1322.2737 DIHED = 4089.3105 VDWAALS = -3022.7111 EEL = -30008.8631 HBOND = 0.0000 1-4 VDW = 2015.0252 1-4 EEL = 19693.3082 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1215 -5.6530E+03 1.3909E+00 1.4487E+01 OXT 1934 BOND = 240.0211 ANGLE = 1322.2731 DIHED = 4089.3103 VDWAALS = -3022.7140 EEL = -29990.2093 HBOND = 0.0000 1-4 VDW = 2015.0241 1-4 EEL = 19693.3073 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1220 -5.6151E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0211 ANGLE = 1322.2728 DIHED = 4089.3103 VDWAALS = -3022.7173 EEL = -29952.3257 HBOND = 0.0000 1-4 VDW = 2015.0237 1-4 EEL = 19693.3070 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1225 -5.6249E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0210 ANGLE = 1322.2720 DIHED = 4089.3101 VDWAALS = -3022.7188 EEL = -29962.0966 HBOND = 0.0000 1-4 VDW = 2015.0223 1-4 EEL = 19693.3060 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1230 -5.6123E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0210 ANGLE = 1322.2715 DIHED = 4089.3100 VDWAALS = -3022.7209 EEL = -29949.4692 HBOND = 0.0000 1-4 VDW = 2015.0214 1-4 EEL = 19693.3053 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1235 -5.6495E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0209 ANGLE = 1322.2713 DIHED = 4089.3099 VDWAALS = -3022.7202 EEL = -29986.7089 HBOND = 0.0000 1-4 VDW = 2015.0211 1-4 EEL = 19693.3051 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1240 -5.7104E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0209 ANGLE = 1322.2708 DIHED = 4089.3098 VDWAALS = -3022.7200 EEL = -30047.5817 HBOND = 0.0000 1-4 VDW = 2015.0202 1-4 EEL = 19693.3044 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1245 -5.7108E+03 1.3909E+00 1.4487E+01 OXT 1934 BOND = 240.0209 ANGLE = 1322.2706 DIHED = 4089.3097 VDWAALS = -3022.7206 EEL = -30047.9603 HBOND = 0.0000 1-4 VDW = 2015.0199 1-4 EEL = 19693.3042 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1250 -5.6617E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0208 ANGLE = 1322.2699 DIHED = 4089.3096 VDWAALS = -3022.7239 EEL = -29998.9248 HBOND = 0.0000 1-4 VDW = 2015.0188 1-4 EEL = 19693.3033 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1255 -5.6346E+03 1.3909E+00 1.4487E+01 OXT 1934 BOND = 240.0208 ANGLE = 1322.2695 DIHED = 4089.3095 VDWAALS = -3022.7268 EEL = -29971.7600 HBOND = 0.0000 1-4 VDW = 2015.0181 1-4 EEL = 19693.3027 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1260 -5.6785E+03 1.3911E+00 1.4487E+01 OXT 1934 BOND = 240.0207 ANGLE = 1322.2690 DIHED = 4089.3094 VDWAALS = -3022.7278 EEL = -30015.6875 HBOND = 0.0000 1-4 VDW = 2015.0173 1-4 EEL = 19693.3021 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1265 -5.6734E+03 1.3909E+00 1.4487E+01 OXT 1934 BOND = 240.0206 ANGLE = 1322.2681 DIHED = 4089.3092 VDWAALS = -3022.7299 EEL = -30010.5875 HBOND = 0.0000 1-4 VDW = 2015.0159 1-4 EEL = 19693.3010 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1270 -5.6853E+03 1.3912E+00 1.4487E+01 OXT 1934 BOND = 240.0206 ANGLE = 1322.2677 DIHED = 4089.3091 VDWAALS = -3022.7303 EEL = -30022.4343 HBOND = 0.0000 1-4 VDW = 2015.0152 1-4 EEL = 19693.3005 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1275 -5.6739E+03 1.3909E+00 1.4487E+01 OXT 1934 BOND = 240.0205 ANGLE = 1322.2666 DIHED = 4089.3088 VDWAALS = -3022.7353 EEL = -30011.0254 HBOND = 0.0000 1-4 VDW = 2015.0134 1-4 EEL = 19693.2991 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1280 -5.6096E+03 1.3909E+00 1.4487E+01 OXT 1934 BOND = 240.0205 ANGLE = 1322.2662 DIHED = 4089.3087 VDWAALS = -3022.7397 EEL = -29946.7606 HBOND = 0.0000 1-4 VDW = 2015.0126 1-4 EEL = 19693.2985 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1285 -5.6655E+03 1.3909E+00 1.4487E+01 OXT 1934 BOND = 240.0204 ANGLE = 1322.2658 DIHED = 4089.3086 VDWAALS = -3022.7368 EEL = -30002.6591 HBOND = 0.0000 1-4 VDW = 2015.0120 1-4 EEL = 19693.2981 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1290 -5.6685E+03 1.3910E+00 1.4487E+01 OXT 1934 BOND = 240.0204 ANGLE = 1322.2655 DIHED = 4089.3085 VDWAALS = -3022.7393 EEL = -30005.6900 HBOND = 0.0000 1-4 VDW = 2015.0116 1-4 EEL = 19693.2977 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1295 -5.6423E+03 1.3909E+00 1.4487E+01 OXT 1934 BOND = 240.0204 ANGLE = 1322.2652 DIHED = 4089.3085 VDWAALS = -3022.7405 EEL = -29979.4392 HBOND = 0.0000 1-4 VDW = 2015.0110 1-4 EEL = 19693.2973 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1300 -5.6601E+03 1.3909E+00 1.4487E+01 OXT 1934 BOND = 240.0203 ANGLE = 1322.2649 DIHED = 4089.3084 VDWAALS = -3022.7414 EEL = -29997.2099 HBOND = 0.0000 1-4 VDW = 2015.0105 1-4 EEL = 19693.2969 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1305 -5.6439E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0203 ANGLE = 1322.2644 DIHED = 4089.3083 VDWAALS = -3022.7431 EEL = -29981.0296 HBOND = 0.0000 1-4 VDW = 2015.0097 1-4 EEL = 19693.2963 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1310 -5.6926E+03 1.3912E+00 1.4486E+01 OXT 1934 BOND = 240.0203 ANGLE = 1322.2641 DIHED = 4089.3082 VDWAALS = -3022.7426 EEL = -30029.8007 HBOND = 0.0000 1-4 VDW = 2015.0092 1-4 EEL = 19693.2959 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1315 -5.6370E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0202 ANGLE = 1322.2637 DIHED = 4089.3081 VDWAALS = -3022.7454 EEL = -29974.1690 HBOND = 0.0000 1-4 VDW = 2015.0086 1-4 EEL = 19693.2954 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1320 -5.6835E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0202 ANGLE = 1322.2633 DIHED = 4089.3080 VDWAALS = -3022.7449 EEL = -30020.6956 HBOND = 0.0000 1-4 VDW = 2015.0079 1-4 EEL = 19693.2949 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1325 -5.6412E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0201 ANGLE = 1322.2624 DIHED = 4089.3078 VDWAALS = -3022.7499 EEL = -29978.3456 HBOND = 0.0000 1-4 VDW = 2015.0063 1-4 EEL = 19693.2937 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1330 -5.6219E+03 1.3913E+00 1.4486E+01 OXT 1934 BOND = 240.0201 ANGLE = 1322.2620 DIHED = 4089.3077 VDWAALS = -3022.7528 EEL = -29959.0722 HBOND = 0.0000 1-4 VDW = 2015.0056 1-4 EEL = 19693.2931 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1335 -5.6787E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0200 ANGLE = 1322.2613 DIHED = 4089.3075 VDWAALS = -3022.7518 EEL = -30015.8369 HBOND = 0.0000 1-4 VDW = 2015.0045 1-4 EEL = 19693.2923 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1340 -5.6395E+03 1.3913E+00 1.4486E+01 OXT 1934 BOND = 240.0200 ANGLE = 1322.2609 DIHED = 4089.3074 VDWAALS = -3022.7549 EEL = -29976.6645 HBOND = 0.0000 1-4 VDW = 2015.0038 1-4 EEL = 19693.2917 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1345 -5.6965E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0199 ANGLE = 1322.2603 DIHED = 4089.3073 VDWAALS = -3022.7544 EEL = -30033.6561 HBOND = 0.0000 1-4 VDW = 2015.0029 1-4 EEL = 19693.2910 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1350 -5.6306E+03 1.3914E+00 1.4486E+01 OXT 1934 BOND = 240.0199 ANGLE = 1322.2599 DIHED = 4089.3072 VDWAALS = -3022.7588 EEL = -29967.7129 HBOND = 0.0000 1-4 VDW = 2015.0022 1-4 EEL = 19693.2905 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1355 -5.6512E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0198 ANGLE = 1322.2593 DIHED = 4089.3071 VDWAALS = -3022.7585 EEL = -29988.3638 HBOND = 0.0000 1-4 VDW = 2015.0012 1-4 EEL = 19693.2898 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1360 -5.6460E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0198 ANGLE = 1322.2591 DIHED = 4089.3070 VDWAALS = -3022.7590 EEL = -29983.1168 HBOND = 0.0000 1-4 VDW = 2015.0008 1-4 EEL = 19693.2895 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1365 -5.6618E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0196 ANGLE = 1322.2573 DIHED = 4089.3066 VDWAALS = -3022.7650 EEL = -29998.8885 HBOND = 0.0000 1-4 VDW = 2014.9979 1-4 EEL = 19693.2872 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1370 -5.6156E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0196 ANGLE = 1322.2568 DIHED = 4089.3065 VDWAALS = -3022.7685 EEL = -29952.6597 HBOND = 0.0000 1-4 VDW = 2014.9971 1-4 EEL = 19693.2866 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1375 -5.6141E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0195 ANGLE = 1322.2558 DIHED = 4089.3062 VDWAALS = -3022.7726 EEL = -29951.2349 HBOND = 0.0000 1-4 VDW = 2014.9954 1-4 EEL = 19693.2853 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1380 -5.6502E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0194 ANGLE = 1322.2554 DIHED = 4089.3061 VDWAALS = -3022.7720 EEL = -29987.2441 HBOND = 0.0000 1-4 VDW = 2014.9948 1-4 EEL = 19693.2848 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1385 -5.6729E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0193 ANGLE = 1322.2544 DIHED = 4089.3059 VDWAALS = -3022.7737 EEL = -30009.9388 HBOND = 0.0000 1-4 VDW = 2014.9931 1-4 EEL = 19693.2835 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1390 -5.6436E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0193 ANGLE = 1322.2537 DIHED = 4089.3057 VDWAALS = -3022.7777 EEL = -29980.6307 HBOND = 0.0000 1-4 VDW = 2014.9919 1-4 EEL = 19693.2826 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1395 -5.6770E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0192 ANGLE = 1322.2531 DIHED = 4089.3056 VDWAALS = -3022.7787 EEL = -30014.0502 HBOND = 0.0000 1-4 VDW = 2014.9908 1-4 EEL = 19693.2818 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1400 -5.6569E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0192 ANGLE = 1322.2526 DIHED = 4089.3055 VDWAALS = -3022.7795 EEL = -29993.9750 HBOND = 0.0000 1-4 VDW = 2014.9901 1-4 EEL = 19693.2812 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1405 -5.6529E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0191 ANGLE = 1322.2517 DIHED = 4089.3053 VDWAALS = -3022.7834 EEL = -29989.9465 HBOND = 0.0000 1-4 VDW = 2014.9887 1-4 EEL = 19693.2801 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1410 -5.6195E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0191 ANGLE = 1322.2515 DIHED = 4089.3052 VDWAALS = -3022.7862 EEL = -29956.5295 HBOND = 0.0000 1-4 VDW = 2014.9882 1-4 EEL = 19693.2798 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1415 -5.6606E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0190 ANGLE = 1322.2505 DIHED = 4089.3050 VDWAALS = -3022.7870 EEL = -29997.6206 HBOND = 0.0000 1-4 VDW = 2014.9866 1-4 EEL = 19693.2785 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1420 -5.6343E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0189 ANGLE = 1322.2500 DIHED = 4089.3049 VDWAALS = -3022.7904 EEL = -29971.3676 HBOND = 0.0000 1-4 VDW = 2014.9858 1-4 EEL = 19693.2779 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1425 -5.6408E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0189 ANGLE = 1322.2498 DIHED = 4089.3048 VDWAALS = -3022.7903 EEL = -29977.8606 HBOND = 0.0000 1-4 VDW = 2014.9855 1-4 EEL = 19693.2777 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1430 -5.6581E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0189 ANGLE = 1322.2493 DIHED = 4089.3047 VDWAALS = -3022.7922 EEL = -29995.1491 HBOND = 0.0000 1-4 VDW = 2014.9846 1-4 EEL = 19693.2770 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1435 -5.6715E+03 1.3912E+00 1.4486E+01 OXT 1934 BOND = 240.0188 ANGLE = 1322.2489 DIHED = 4089.3046 VDWAALS = -3022.7924 EEL = -30008.5630 HBOND = 0.0000 1-4 VDW = 2014.9839 1-4 EEL = 19693.2765 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1440 -5.6508E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0187 ANGLE = 1322.2478 DIHED = 4089.3043 VDWAALS = -3022.7970 EEL = -29987.7862 HBOND = 0.0000 1-4 VDW = 2014.9821 1-4 EEL = 19693.2751 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1445 -5.6672E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0187 ANGLE = 1322.2473 DIHED = 4089.3042 VDWAALS = -3022.7980 EEL = -30004.2700 HBOND = 0.0000 1-4 VDW = 2014.9813 1-4 EEL = 19693.2745 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1450 -5.6348E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0187 ANGLE = 1322.2471 DIHED = 4089.3042 VDWAALS = -3022.8006 EEL = -29971.8216 HBOND = 0.0000 1-4 VDW = 2014.9809 1-4 EEL = 19693.2742 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1455 -5.7000E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0186 ANGLE = 1322.2460 DIHED = 4089.3039 VDWAALS = -3022.8008 EEL = -30037.0189 HBOND = 0.0000 1-4 VDW = 2014.9791 1-4 EEL = 19693.2728 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1460 -5.6203E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0185 ANGLE = 1322.2456 DIHED = 4089.3038 VDWAALS = -3022.8042 EEL = -29957.3155 HBOND = 0.0000 1-4 VDW = 2014.9785 1-4 EEL = 19693.2723 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1465 -5.6513E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0184 ANGLE = 1322.2446 DIHED = 4089.3036 VDWAALS = -3022.8065 EEL = -29988.3505 HBOND = 0.0000 1-4 VDW = 2014.9769 1-4 EEL = 19693.2710 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1470 -5.6475E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0184 ANGLE = 1322.2442 DIHED = 4089.3035 VDWAALS = -3022.8087 EEL = -29984.4662 HBOND = 0.0000 1-4 VDW = 2014.9762 1-4 EEL = 19693.2705 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1475 -5.6395E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0184 ANGLE = 1322.2440 DIHED = 4089.3034 VDWAALS = -3022.8087 EEL = -29976.4618 HBOND = 0.0000 1-4 VDW = 2014.9758 1-4 EEL = 19693.2702 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1480 -5.6212E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0183 ANGLE = 1322.2430 DIHED = 4089.3032 VDWAALS = -3022.8133 EEL = -29958.2214 HBOND = 0.0000 1-4 VDW = 2014.9742 1-4 EEL = 19693.2690 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1485 -5.6306E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0183 ANGLE = 1322.2428 DIHED = 4089.3032 VDWAALS = -3022.8144 EEL = -29967.6093 HBOND = 0.0000 1-4 VDW = 2014.9739 1-4 EEL = 19693.2687 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1490 -5.6128E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0182 ANGLE = 1322.2424 DIHED = 4089.3031 VDWAALS = -3022.8160 EEL = -29949.7458 HBOND = 0.0000 1-4 VDW = 2014.9732 1-4 EEL = 19693.2682 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1495 -5.6950E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0182 ANGLE = 1322.2418 DIHED = 4089.3029 VDWAALS = -3022.8151 EEL = -30032.0069 HBOND = 0.0000 1-4 VDW = 2014.9722 1-4 EEL = 19693.2674 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1500 -5.6472E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0181 ANGLE = 1322.2416 DIHED = 4089.3029 VDWAALS = -3022.8175 EEL = -29984.1580 HBOND = 0.0000 1-4 VDW = 2014.9718 1-4 EEL = 19693.2671 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1505 -5.6722E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0181 ANGLE = 1322.2410 DIHED = 4089.3027 VDWAALS = -3022.8188 EEL = -30009.1724 HBOND = 0.0000 1-4 VDW = 2014.9708 1-4 EEL = 19693.2664 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1510 -5.6195E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0181 ANGLE = 1322.2407 DIHED = 4089.3026 VDWAALS = -3022.8212 EEL = -29956.4348 HBOND = 0.0000 1-4 VDW = 2014.9704 1-4 EEL = 19693.2660 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1515 -5.7083E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0180 ANGLE = 1322.2402 DIHED = 4089.3025 VDWAALS = -3022.8197 EEL = -30045.3233 HBOND = 0.0000 1-4 VDW = 2014.9696 1-4 EEL = 19693.2654 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1520 -5.6444E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0180 ANGLE = 1322.2401 DIHED = 4089.3025 VDWAALS = -3022.8229 EEL = -29981.3490 HBOND = 0.0000 1-4 VDW = 2014.9693 1-4 EEL = 19693.2652 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1525 -5.6487E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0180 ANGLE = 1322.2395 DIHED = 4089.3024 VDWAALS = -3022.8237 EEL = -29985.6930 HBOND = 0.0000 1-4 VDW = 2014.9685 1-4 EEL = 19693.2646 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1530 -5.6389E+03 1.3914E+00 1.4486E+01 OXT 1934 BOND = 240.0179 ANGLE = 1322.2391 DIHED = 4089.3023 VDWAALS = -3022.8260 EEL = -29975.8373 HBOND = 0.0000 1-4 VDW = 2014.9677 1-4 EEL = 19693.2640 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1535 -5.7004E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0178 ANGLE = 1322.2384 DIHED = 4089.3021 VDWAALS = -3022.8249 EEL = -30037.3152 HBOND = 0.0000 1-4 VDW = 2014.9665 1-4 EEL = 19693.2631 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1540 -5.6606E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0178 ANGLE = 1322.2378 DIHED = 4089.3020 VDWAALS = -3022.8293 EEL = -29997.5710 HBOND = 0.0000 1-4 VDW = 2014.9656 1-4 EEL = 19693.2624 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1545 -5.6563E+03 1.3913E+00 1.4486E+01 OXT 1934 BOND = 240.0177 ANGLE = 1322.2374 DIHED = 4089.3019 VDWAALS = -3022.8306 EEL = -29993.2262 HBOND = 0.0000 1-4 VDW = 2014.9649 1-4 EEL = 19693.2618 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1550 -5.6651E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0177 ANGLE = 1322.2369 DIHED = 4089.3018 VDWAALS = -3022.8315 EEL = -30002.0339 HBOND = 0.0000 1-4 VDW = 2014.9641 1-4 EEL = 19693.2612 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1555 -5.6744E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0177 ANGLE = 1322.2365 DIHED = 4089.3016 VDWAALS = -3022.8336 EEL = -30011.3399 HBOND = 0.0000 1-4 VDW = 2014.9633 1-4 EEL = 19693.2606 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1560 -5.6682E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0176 ANGLE = 1322.2356 DIHED = 4089.3014 VDWAALS = -3022.8360 EEL = -30005.1369 HBOND = 0.0000 1-4 VDW = 2014.9619 1-4 EEL = 19693.2595 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1565 -5.6795E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0176 ANGLE = 1322.2353 DIHED = 4089.3014 VDWAALS = -3022.8369 EEL = -30016.4614 HBOND = 0.0000 1-4 VDW = 2014.9615 1-4 EEL = 19693.2592 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1570 -5.6138E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0175 ANGLE = 1322.2349 DIHED = 4089.3013 VDWAALS = -3022.8403 EEL = -29950.7305 HBOND = 0.0000 1-4 VDW = 2014.9608 1-4 EEL = 19693.2587 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1575 -5.6563E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0175 ANGLE = 1322.2347 DIHED = 4089.3012 VDWAALS = -3022.8398 EEL = -29993.1956 HBOND = 0.0000 1-4 VDW = 2014.9604 1-4 EEL = 19693.2584 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1580 -5.5957E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0175 ANGLE = 1322.2343 DIHED = 4089.3011 VDWAALS = -3022.8424 EEL = -29932.6087 HBOND = 0.0000 1-4 VDW = 2014.9598 1-4 EEL = 19693.2579 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1585 -5.6245E+03 1.3912E+00 1.4486E+01 OXT 1934 BOND = 240.0174 ANGLE = 1322.2339 DIHED = 4089.3010 VDWAALS = -3022.8433 EEL = -29961.4074 HBOND = 0.0000 1-4 VDW = 2014.9591 1-4 EEL = 19693.2574 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1590 -5.6928E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0174 ANGLE = 1322.2332 DIHED = 4089.3009 VDWAALS = -3022.8428 EEL = -30029.7571 HBOND = 0.0000 1-4 VDW = 2014.9579 1-4 EEL = 19693.2564 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1595 -5.6712E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0173 ANGLE = 1322.2328 DIHED = 4089.3008 VDWAALS = -3022.8442 EEL = -30008.0893 HBOND = 0.0000 1-4 VDW = 2014.9572 1-4 EEL = 19693.2559 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1600 -5.6416E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0172 ANGLE = 1322.2319 DIHED = 4089.3006 VDWAALS = -3022.8489 EEL = -29978.4974 HBOND = 0.0000 1-4 VDW = 2014.9558 1-4 EEL = 19693.2548 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1605 -5.7049E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0172 ANGLE = 1322.2316 DIHED = 4089.3005 VDWAALS = -3022.8469 EEL = -30041.8397 HBOND = 0.0000 1-4 VDW = 2014.9553 1-4 EEL = 19693.2544 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1610 -5.6258E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0171 ANGLE = 1322.2307 DIHED = 4089.3003 VDWAALS = -3022.8538 EEL = -29962.7455 HBOND = 0.0000 1-4 VDW = 2014.9539 1-4 EEL = 19693.2533 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1615 -5.6680E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0171 ANGLE = 1322.2304 DIHED = 4089.3002 VDWAALS = -3022.8529 EEL = -30004.8643 HBOND = 0.0000 1-4 VDW = 2014.9533 1-4 EEL = 19693.2529 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1620 -5.6621E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0170 ANGLE = 1322.2298 DIHED = 4089.3001 VDWAALS = -3022.8559 EEL = -29999.0132 HBOND = 0.0000 1-4 VDW = 2014.9522 1-4 EEL = 19693.2521 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1625 -5.6297E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0170 ANGLE = 1322.2293 DIHED = 4089.2999 VDWAALS = -3022.8585 EEL = -29966.6157 HBOND = 0.0000 1-4 VDW = 2014.9515 1-4 EEL = 19693.2515 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1630 -5.6655E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0170 ANGLE = 1322.2291 DIHED = 4089.2999 VDWAALS = -3022.8580 EEL = -30002.4314 HBOND = 0.0000 1-4 VDW = 2014.9511 1-4 EEL = 19693.2512 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1635 -5.6347E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0169 ANGLE = 1322.2285 DIHED = 4089.2998 VDWAALS = -3022.8599 EEL = -29971.5533 HBOND = 0.0000 1-4 VDW = 2014.9502 1-4 EEL = 19693.2505 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1640 -5.6446E+03 1.3911E+00 1.4486E+01 OXT 1934 BOND = 240.0169 ANGLE = 1322.2279 DIHED = 4089.2996 VDWAALS = -3022.8633 EEL = -29981.4849 HBOND = 0.0000 1-4 VDW = 2014.9491 1-4 EEL = 19693.2497 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1645 -5.6841E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0168 ANGLE = 1322.2276 DIHED = 4089.2996 VDWAALS = -3022.8620 EEL = -30021.0202 HBOND = 0.0000 1-4 VDW = 2014.9487 1-4 EEL = 19693.2494 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1650 -5.6395E+03 1.3908E+00 1.4486E+01 OXT 1934 BOND = 240.0168 ANGLE = 1322.2268 DIHED = 4089.2994 VDWAALS = -3022.8657 EEL = -29976.3693 HBOND = 0.0000 1-4 VDW = 2014.9473 1-4 EEL = 19693.2483 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1655 -5.6351E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0167 ANGLE = 1322.2264 DIHED = 4089.2993 VDWAALS = -3022.8669 EEL = -29971.9412 HBOND = 0.0000 1-4 VDW = 2014.9468 1-4 EEL = 19693.2479 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1660 -5.6506E+03 1.3908E+00 1.4486E+01 OXT 1934 BOND = 240.0166 ANGLE = 1322.2256 DIHED = 4089.2991 VDWAALS = -3022.8701 EEL = -29987.5013 HBOND = 0.0000 1-4 VDW = 2014.9453 1-4 EEL = 19693.2467 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1665 -5.6382E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0166 ANGLE = 1322.2250 DIHED = 4089.2989 VDWAALS = -3022.8722 EEL = -29975.0193 HBOND = 0.0000 1-4 VDW = 2014.9443 1-4 EEL = 19693.2460 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1670 -5.6203E+03 1.3908E+00 1.4486E+01 OXT 1934 BOND = 240.0166 ANGLE = 1322.2247 DIHED = 4089.2989 VDWAALS = -3022.8746 EEL = -29957.1116 HBOND = 0.0000 1-4 VDW = 2014.9439 1-4 EEL = 19693.2456 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1675 -5.6420E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0164 ANGLE = 1322.2234 DIHED = 4089.2986 VDWAALS = -3022.8767 EEL = -29978.8351 HBOND = 0.0000 1-4 VDW = 2014.9418 1-4 EEL = 19693.2440 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1680 -5.6397E+03 1.3908E+00 1.4486E+01 OXT 1934 BOND = 240.0164 ANGLE = 1322.2231 DIHED = 4089.2985 VDWAALS = -3022.8786 EEL = -29976.5596 HBOND = 0.0000 1-4 VDW = 2014.9412 1-4 EEL = 19693.2436 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1685 -5.6241E+03 1.3908E+00 1.4486E+01 OXT 1934 BOND = 240.0163 ANGLE = 1322.2221 DIHED = 4089.2982 VDWAALS = -3022.8828 EEL = -29960.9249 HBOND = 0.0000 1-4 VDW = 2014.9395 1-4 EEL = 19693.2423 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1690 -5.6125E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0163 ANGLE = 1322.2216 DIHED = 4089.2981 VDWAALS = -3022.8846 EEL = -29949.3165 HBOND = 0.0000 1-4 VDW = 2014.9388 1-4 EEL = 19693.2417 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1695 -5.6722E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0163 ANGLE = 1322.2214 DIHED = 4089.2981 VDWAALS = -3022.8831 EEL = -30009.0785 HBOND = 0.0000 1-4 VDW = 2014.9384 1-4 EEL = 19693.2414 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1700 -5.6744E+03 1.3908E+00 1.4486E+01 OXT 1934 BOND = 240.0162 ANGLE = 1322.2210 DIHED = 4089.2980 VDWAALS = -3022.8843 EEL = -30011.2348 HBOND = 0.0000 1-4 VDW = 2014.9378 1-4 EEL = 19693.2410 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1705 -5.6988E+03 1.3908E+00 1.4486E+01 OXT 1934 BOND = 240.0161 ANGLE = 1322.2202 DIHED = 4089.2978 VDWAALS = -3022.8849 EEL = -30035.6535 HBOND = 0.0000 1-4 VDW = 2014.9364 1-4 EEL = 19693.2399 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1710 -5.6218E+03 1.3908E+00 1.4486E+01 OXT 1934 BOND = 240.0161 ANGLE = 1322.2196 DIHED = 4089.2977 VDWAALS = -3022.8902 EEL = -29958.6377 HBOND = 0.0000 1-4 VDW = 2014.9354 1-4 EEL = 19693.2391 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1715 -5.6436E+03 1.3908E+00 1.4486E+01 OXT 1934 BOND = 240.0160 ANGLE = 1322.2188 DIHED = 4089.2974 VDWAALS = -3022.8917 EEL = -29980.4497 HBOND = 0.0000 1-4 VDW = 2014.9340 1-4 EEL = 19693.2381 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1720 -5.6638E+03 1.3908E+00 1.4486E+01 OXT 1934 BOND = 240.0160 ANGLE = 1322.2184 DIHED = 4089.2974 VDWAALS = -3022.8919 EEL = -30000.6361 HBOND = 0.0000 1-4 VDW = 2014.9335 1-4 EEL = 19693.2376 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1725 -5.6758E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0159 ANGLE = 1322.2179 DIHED = 4089.2972 VDWAALS = -3022.8929 EEL = -30012.5657 HBOND = 0.0000 1-4 VDW = 2014.9325 1-4 EEL = 19693.2369 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1730 -5.6599E+03 1.3908E+00 1.4486E+01 OXT 1934 BOND = 240.0159 ANGLE = 1322.2176 DIHED = 4089.2972 VDWAALS = -3022.8951 EEL = -29996.6666 HBOND = 0.0000 1-4 VDW = 2014.9321 1-4 EEL = 19693.2366 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1735 -5.6016E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0158 ANGLE = 1322.2168 DIHED = 4089.2970 VDWAALS = -3022.9012 EEL = -29938.4032 HBOND = 0.0000 1-4 VDW = 2014.9308 1-4 EEL = 19693.2356 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1740 -5.6450E+03 1.3909E+00 1.4486E+01 OXT 1934 BOND = 240.0158 ANGLE = 1322.2166 DIHED = 4089.2969 VDWAALS = -3022.8993 EEL = -29981.8130 HBOND = 0.0000 1-4 VDW = 2014.9304 1-4 EEL = 19693.2353 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1745 -5.6249E+03 1.3908E+00 1.4486E+01 OXT 1934 BOND = 240.0158 ANGLE = 1322.2161 DIHED = 4089.2968 VDWAALS = -3022.9010 EEL = -29961.6731 HBOND = 0.0000 1-4 VDW = 2014.9297 1-4 EEL = 19693.2347 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1750 -5.6263E+03 1.3910E+00 1.4486E+01 OXT 1934 BOND = 240.0157 ANGLE = 1322.2157 DIHED = 4089.2967 VDWAALS = -3022.9036 EEL = -29963.0877 HBOND = 0.0000 1-4 VDW = 2014.9290 1-4 EEL = 19693.2342 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1755 -5.6174E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0157 ANGLE = 1322.2153 DIHED = 4089.2966 VDWAALS = -3022.9038 EEL = -29954.1690 HBOND = 0.0000 1-4 VDW = 2014.9282 1-4 EEL = 19693.2336 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1760 -5.6327E+03 1.3909E+00 1.4485E+01 OXT 1934 BOND = 240.0156 ANGLE = 1322.2148 DIHED = 4089.2965 VDWAALS = -3022.9064 EEL = -29969.4860 HBOND = 0.0000 1-4 VDW = 2014.9274 1-4 EEL = 19693.2330 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1765 -5.7065E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0156 ANGLE = 1322.2144 DIHED = 4089.2964 VDWAALS = -3022.9037 EEL = -30043.2561 HBOND = 0.0000 1-4 VDW = 2014.9269 1-4 EEL = 19693.2325 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1770 -5.6541E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0155 ANGLE = 1322.2136 DIHED = 4089.2962 VDWAALS = -3022.9083 EEL = -29990.8318 HBOND = 0.0000 1-4 VDW = 2014.9255 1-4 EEL = 19693.2315 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1775 -5.6210E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0154 ANGLE = 1322.2128 DIHED = 4089.2960 VDWAALS = -3022.9130 EEL = -29957.7206 HBOND = 0.0000 1-4 VDW = 2014.9242 1-4 EEL = 19693.2305 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1780 -5.6635E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0154 ANGLE = 1322.2126 DIHED = 4089.2960 VDWAALS = -3022.9123 EEL = -30000.2557 HBOND = 0.0000 1-4 VDW = 2014.9238 1-4 EEL = 19693.2302 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1785 -5.6930E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0154 ANGLE = 1322.2120 DIHED = 4089.2959 VDWAALS = -3022.9121 EEL = -30029.8131 HBOND = 0.0000 1-4 VDW = 2014.9229 1-4 EEL = 19693.2295 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1790 -5.6807E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0153 ANGLE = 1322.2118 DIHED = 4089.2958 VDWAALS = -3022.9142 EEL = -30017.4886 HBOND = 0.0000 1-4 VDW = 2014.9224 1-4 EEL = 19693.2291 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1795 -5.6861E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0153 ANGLE = 1322.2109 DIHED = 4089.2956 VDWAALS = -3022.9159 EEL = -30022.8961 HBOND = 0.0000 1-4 VDW = 2014.9210 1-4 EEL = 19693.2280 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1800 -5.6864E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0152 ANGLE = 1322.2103 DIHED = 4089.2955 VDWAALS = -3022.9177 EEL = -30023.1826 HBOND = 0.0000 1-4 VDW = 2014.9201 1-4 EEL = 19693.2273 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1805 -5.6556E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0152 ANGLE = 1322.2101 DIHED = 4089.2954 VDWAALS = -3022.9204 EEL = -29992.3041 HBOND = 0.0000 1-4 VDW = 2014.9196 1-4 EEL = 19693.2270 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1810 -5.6553E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0151 ANGLE = 1322.2096 DIHED = 4089.2953 VDWAALS = -3022.9215 EEL = -29992.0065 HBOND = 0.0000 1-4 VDW = 2014.9188 1-4 EEL = 19693.2263 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1815 -5.6490E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0151 ANGLE = 1322.2089 DIHED = 4089.2951 VDWAALS = -3022.9238 EEL = -29985.6958 HBOND = 0.0000 1-4 VDW = 2014.9177 1-4 EEL = 19693.2255 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1820 -5.6365E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0150 ANGLE = 1322.2082 DIHED = 4089.2949 VDWAALS = -3022.9278 EEL = -29973.2445 HBOND = 0.0000 1-4 VDW = 2014.9165 1-4 EEL = 19693.2246 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1825 -5.6665E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0150 ANGLE = 1322.2075 DIHED = 4089.2948 VDWAALS = -3022.9289 EEL = -30003.2043 HBOND = 0.0000 1-4 VDW = 2014.9154 1-4 EEL = 19693.2237 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1830 -5.6494E+03 1.3909E+00 1.4485E+01 OXT 1934 BOND = 240.0149 ANGLE = 1322.2071 DIHED = 4089.2947 VDWAALS = -3022.9315 EEL = -29986.1392 HBOND = 0.0000 1-4 VDW = 2014.9146 1-4 EEL = 19693.2231 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1835 -5.6013E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0149 ANGLE = 1322.2066 DIHED = 4089.2946 VDWAALS = -3022.9341 EEL = -29938.0533 HBOND = 0.0000 1-4 VDW = 2014.9138 1-4 EEL = 19693.2225 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1840 -5.6204E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0148 ANGLE = 1322.2061 DIHED = 4089.2944 VDWAALS = -3022.9354 EEL = -29957.0913 HBOND = 0.0000 1-4 VDW = 2014.9130 1-4 EEL = 19693.2219 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1845 -5.6002E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0148 ANGLE = 1322.2055 DIHED = 4089.2943 VDWAALS = -3022.9384 EEL = -29936.8657 HBOND = 0.0000 1-4 VDW = 2014.9120 1-4 EEL = 19693.2211 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1850 -5.6410E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0147 ANGLE = 1322.2053 DIHED = 4089.2943 VDWAALS = -3022.9373 EEL = -29977.6654 HBOND = 0.0000 1-4 VDW = 2014.9117 1-4 EEL = 19693.2209 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1855 -5.6444E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0147 ANGLE = 1322.2045 DIHED = 4089.2941 VDWAALS = -3022.9390 EEL = -29981.0948 HBOND = 0.0000 1-4 VDW = 2014.9103 1-4 EEL = 19693.2198 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1860 -5.6196E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0146 ANGLE = 1322.2042 DIHED = 4089.2940 VDWAALS = -3022.9421 EEL = -29956.2800 HBOND = 0.0000 1-4 VDW = 2014.9099 1-4 EEL = 19693.2195 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1865 -5.6735E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0146 ANGLE = 1322.2035 DIHED = 4089.2938 VDWAALS = -3022.9413 EEL = -30010.1614 HBOND = 0.0000 1-4 VDW = 2014.9087 1-4 EEL = 19693.2186 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1870 -5.6403E+03 1.3909E+00 1.4485E+01 OXT 1934 BOND = 240.0145 ANGLE = 1322.2030 DIHED = 4089.2937 VDWAALS = -3022.9440 EEL = -29977.0422 HBOND = 0.0000 1-4 VDW = 2014.9079 1-4 EEL = 19693.2180 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1875 -5.6407E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0145 ANGLE = 1322.2025 DIHED = 4089.2936 VDWAALS = -3022.9460 EEL = -29977.4332 HBOND = 0.0000 1-4 VDW = 2014.9070 1-4 EEL = 19693.2173 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1880 -5.6533E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0145 ANGLE = 1322.2023 DIHED = 4089.2935 VDWAALS = -3022.9466 EEL = -29990.0345 HBOND = 0.0000 1-4 VDW = 2014.9067 1-4 EEL = 19693.2170 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1885 -5.6717E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0144 ANGLE = 1322.2018 DIHED = 4089.2934 VDWAALS = -3022.9475 EEL = -30008.4099 HBOND = 0.0000 1-4 VDW = 2014.9059 1-4 EEL = 19693.2164 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1890 -5.6401E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0144 ANGLE = 1322.2013 DIHED = 4089.2933 VDWAALS = -3022.9500 EEL = -29976.8044 HBOND = 0.0000 1-4 VDW = 2014.9050 1-4 EEL = 19693.2157 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1895 -5.6865E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0143 ANGLE = 1322.2009 DIHED = 4089.2932 VDWAALS = -3022.9491 EEL = -30023.2277 HBOND = 0.0000 1-4 VDW = 2014.9044 1-4 EEL = 19693.2153 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1900 -5.6471E+03 1.3909E+00 1.4485E+01 OXT 1934 BOND = 240.0143 ANGLE = 1322.2001 DIHED = 4089.2930 VDWAALS = -3022.9528 EEL = -29983.7923 HBOND = 0.0000 1-4 VDW = 2014.9032 1-4 EEL = 19693.2143 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1905 -5.6535E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0142 ANGLE = 1322.1995 DIHED = 4089.2929 VDWAALS = -3022.9558 EEL = -29990.1508 HBOND = 0.0000 1-4 VDW = 2014.9021 1-4 EEL = 19693.2135 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1910 -5.6375E+03 1.3906E+00 1.4485E+01 OXT 1934 BOND = 240.0142 ANGLE = 1322.1992 DIHED = 4089.2928 VDWAALS = -3022.9580 EEL = -29974.1336 HBOND = 0.0000 1-4 VDW = 2014.9016 1-4 EEL = 19693.2131 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1915 -5.6685E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0141 ANGLE = 1322.1989 DIHED = 4089.2927 VDWAALS = -3022.9565 EEL = -30005.1877 HBOND = 0.0000 1-4 VDW = 2014.9010 1-4 EEL = 19693.2127 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1920 -5.6293E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0141 ANGLE = 1322.1984 DIHED = 4089.2926 VDWAALS = -3022.9601 EEL = -29965.9394 HBOND = 0.0000 1-4 VDW = 2014.9003 1-4 EEL = 19693.2121 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1925 -5.6263E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0140 ANGLE = 1322.1977 DIHED = 4089.2925 VDWAALS = -3022.9620 EEL = -29962.9141 HBOND = 0.0000 1-4 VDW = 2014.8992 1-4 EEL = 19693.2112 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1930 -5.6418E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0140 ANGLE = 1322.1968 DIHED = 4089.2923 VDWAALS = -3022.9635 EEL = -29978.4884 HBOND = 0.0000 1-4 VDW = 2014.8977 1-4 EEL = 19693.2101 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1935 -5.6289E+03 1.3909E+00 1.4485E+01 OXT 1934 BOND = 240.0139 ANGLE = 1322.1964 DIHED = 4089.2921 VDWAALS = -3022.9673 EEL = -29965.4977 HBOND = 0.0000 1-4 VDW = 2014.8969 1-4 EEL = 19693.2095 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1940 -5.6628E+03 1.3906E+00 1.4485E+01 OXT 1934 BOND = 240.0138 ANGLE = 1322.1957 DIHED = 4089.2920 VDWAALS = -3022.9672 EEL = -29999.4598 HBOND = 0.0000 1-4 VDW = 2014.8958 1-4 EEL = 19693.2086 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1945 -5.6025E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0138 ANGLE = 1322.1954 DIHED = 4089.2919 VDWAALS = -3022.9715 EEL = -29939.1085 HBOND = 0.0000 1-4 VDW = 2014.8954 1-4 EEL = 19693.2083 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1950 -5.6664E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0138 ANGLE = 1322.1953 DIHED = 4089.2919 VDWAALS = -3022.9688 EEL = -30003.0652 HBOND = 0.0000 1-4 VDW = 2014.8951 1-4 EEL = 19693.2081 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1955 -5.6316E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0137 ANGLE = 1322.1944 DIHED = 4089.2917 VDWAALS = -3022.9732 EEL = -29968.2502 HBOND = 0.0000 1-4 VDW = 2014.8936 1-4 EEL = 19693.2069 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1960 -5.6284E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0137 ANGLE = 1322.1942 DIHED = 4089.2916 VDWAALS = -3022.9735 EEL = -29965.0331 HBOND = 0.0000 1-4 VDW = 2014.8933 1-4 EEL = 19693.2067 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1965 -5.6260E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0137 ANGLE = 1322.1938 DIHED = 4089.2915 VDWAALS = -3022.9752 EEL = -29962.5737 HBOND = 0.0000 1-4 VDW = 2014.8926 1-4 EEL = 19693.2062 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1970 -5.7079E+03 1.3906E+00 1.4485E+01 OXT 1934 BOND = 240.0136 ANGLE = 1322.1932 DIHED = 4089.2914 VDWAALS = -3022.9744 EEL = -30044.4827 HBOND = 0.0000 1-4 VDW = 2014.8916 1-4 EEL = 19693.2054 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1975 -5.6633E+03 1.3906E+00 1.4485E+01 OXT 1934 BOND = 240.0136 ANGLE = 1322.1929 DIHED = 4089.2913 VDWAALS = -3022.9763 EEL = -29999.9030 HBOND = 0.0000 1-4 VDW = 2014.8912 1-4 EEL = 19693.2051 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1980 -5.6672E+03 1.3906E+00 1.4485E+01 OXT 1934 BOND = 240.0136 ANGLE = 1322.1927 DIHED = 4089.2913 VDWAALS = -3022.9769 EEL = -30003.7800 HBOND = 0.0000 1-4 VDW = 2014.8908 1-4 EEL = 19693.2048 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1985 -5.6785E+03 1.3906E+00 1.4485E+01 OXT 1934 BOND = 240.0135 ANGLE = 1322.1918 DIHED = 4089.2910 VDWAALS = -3022.9790 EEL = -30015.1539 HBOND = 0.0000 1-4 VDW = 2014.8893 1-4 EEL = 19693.2036 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1990 -5.6569E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0134 ANGLE = 1322.1914 DIHED = 4089.2910 VDWAALS = -3022.9814 EEL = -29993.4591 HBOND = 0.0000 1-4 VDW = 2014.8886 1-4 EEL = 19693.2031 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 1995 -5.6610E+03 1.3909E+00 1.4485E+01 OXT 1934 BOND = 240.0134 ANGLE = 1322.1911 DIHED = 4089.2909 VDWAALS = -3022.9823 EEL = -29997.5929 HBOND = 0.0000 1-4 VDW = 2014.8882 1-4 EEL = 19693.2028 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2000 -5.6185E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0134 ANGLE = 1322.1907 DIHED = 4089.2908 VDWAALS = -3022.9858 EEL = -29955.1445 HBOND = 0.0000 1-4 VDW = 2014.8876 1-4 EEL = 19693.2023 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2005 -5.6637E+03 1.3906E+00 1.4485E+01 OXT 1934 BOND = 240.0134 ANGLE = 1322.1907 DIHED = 4089.2908 VDWAALS = -3022.9836 EEL = -30000.2881 HBOND = 0.0000 1-4 VDW = 2014.8875 1-4 EEL = 19693.2023 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2010 -5.6669E+03 1.3906E+00 1.4485E+01 OXT 1934 BOND = 240.0134 ANGLE = 1322.1907 DIHED = 4089.2908 VDWAALS = -3022.9837 EEL = -30003.4711 HBOND = 0.0000 1-4 VDW = 2014.8875 1-4 EEL = 19693.2023 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2015 -5.6669E+03 1.3906E+00 1.4485E+01 OXT 1934 BOND = 240.0134 ANGLE = 1322.1907 DIHED = 4089.2908 VDWAALS = -3022.9837 EEL = -30003.4711 HBOND = 0.0000 1-4 VDW = 2014.8875 1-4 EEL = 19693.2023 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2020 -5.6669E+03 1.3906E+00 1.4485E+01 OXT 1934 BOND = 240.0134 ANGLE = 1322.1907 DIHED = 4089.2908 VDWAALS = -3022.9837 EEL = -30003.4711 HBOND = 0.0000 1-4 VDW = 2014.8875 1-4 EEL = 19693.2023 RESTRAINT = 0.0000 .... RESTARTED DUE TO LINMIN FAILURE ... NSTEP ENERGY RMS GMAX NAME NUMBER 2025 -5.6588E+03 1.3908E+00 1.4485E+01 OXT 1934 BOND = 240.0133 ANGLE = 1322.1902 DIHED = 4089.2907 VDWAALS = -3022.9848 EEL = -29995.3972 HBOND = 0.0000 1-4 VDW = 2014.8867 1-4 EEL = 19693.2016 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2030 -5.6705E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0133 ANGLE = 1322.1901 DIHED = 4089.2907 VDWAALS = -3022.9865 EEL = -30007.0957 HBOND = 0.0000 1-4 VDW = 2014.8865 1-4 EEL = 19693.2015 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2035 -5.6705E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0133 ANGLE = 1322.1901 DIHED = 4089.2907 VDWAALS = -3022.9865 EEL = -30007.0957 HBOND = 0.0000 1-4 VDW = 2014.8865 1-4 EEL = 19693.2015 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2040 -5.6705E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0133 ANGLE = 1322.1901 DIHED = 4089.2907 VDWAALS = -3022.9865 EEL = -30007.0957 HBOND = 0.0000 1-4 VDW = 2014.8865 1-4 EEL = 19693.2015 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2045 -5.6705E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0133 ANGLE = 1322.1901 DIHED = 4089.2907 VDWAALS = -3022.9865 EEL = -30007.0957 HBOND = 0.0000 1-4 VDW = 2014.8865 1-4 EEL = 19693.2015 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2050 -5.6705E+03 1.3907E+00 1.4485E+01 OXT 1934 BOND = 240.0133 ANGLE = 1322.1901 DIHED = 4089.2907 VDWAALS = -3022.9865 EEL = -30007.0957 HBOND = 0.0000 1-4 VDW = 2014.8865 1-4 EEL = 19693.2015 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2055 -5.6567E+03 1.3905E+00 1.4483E+01 OXT 1934 BOND = 240.0027 ANGLE = 1322.0752 DIHED = 4089.2633 VDWAALS = -3023.3640 EEL = -29992.4046 HBOND = 0.0000 1-4 VDW = 2014.6950 1-4 EEL = 19693.0549 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2060 -5.6567E+03 1.3905E+00 1.4483E+01 OXT 1934 BOND = 240.0025 ANGLE = 1322.0735 DIHED = 4089.2629 VDWAALS = -3023.3694 EEL = -29992.4065 HBOND = 0.0000 1-4 VDW = 2014.6923 1-4 EEL = 19693.0527 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2065 -5.6567E+03 1.3905E+00 1.4483E+01 OXT 1934 BOND = 240.0025 ANGLE = 1322.0731 DIHED = 4089.2628 VDWAALS = -3023.3709 EEL = -29992.4071 HBOND = 0.0000 1-4 VDW = 2014.6915 1-4 EEL = 19693.0522 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2070 -5.6567E+03 1.3905E+00 1.4483E+01 OXT 1934 BOND = 240.0025 ANGLE = 1322.0730 DIHED = 4089.2627 VDWAALS = -3023.3712 EEL = -29992.4072 HBOND = 0.0000 1-4 VDW = 2014.6914 1-4 EEL = 19693.0521 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2075 -5.6567E+03 1.3905E+00 1.4483E+01 OXT 1934 BOND = 240.0025 ANGLE = 1322.0729 DIHED = 4089.2627 VDWAALS = -3023.3712 EEL = -29992.4072 HBOND = 0.0000 1-4 VDW = 2014.6913 1-4 EEL = 19693.0520 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2080 -5.6578E+03 1.3897E+00 1.4480E+01 OXT 1934 BOND = 239.9917 ANGLE = 1321.9576 DIHED = 4089.2360 VDWAALS = -3023.7504 EEL = -29992.6160 HBOND = 0.0000 1-4 VDW = 2014.5004 1-4 EEL = 19692.9044 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2085 -5.6039E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9879 ANGLE = 1321.9160 DIHED = 4089.2264 VDWAALS = -3023.8873 EEL = -29938.4656 HBOND = 0.0000 1-4 VDW = 2014.4315 1-4 EEL = 19692.8511 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2090 -5.6578E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9912 ANGLE = 1321.9519 DIHED = 4089.2347 VDWAALS = -3023.7692 EEL = -29992.6227 HBOND = 0.0000 1-4 VDW = 2014.4909 1-4 EEL = 19692.8971 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2095 -5.6579E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9908 ANGLE = 1321.9474 DIHED = 4089.2337 VDWAALS = -3023.7840 EEL = -29992.6280 HBOND = 0.0000 1-4 VDW = 2014.4835 1-4 EEL = 19692.8914 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2100 -5.6579E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9908 ANGLE = 1321.9474 DIHED = 4089.2337 VDWAALS = -3023.7840 EEL = -29992.6280 HBOND = 0.0000 1-4 VDW = 2014.4835 1-4 EEL = 19692.8914 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2105 -5.6114E+03 1.3891E+00 1.4478E+01 OXT 1934 BOND = 239.9803 ANGLE = 1321.8309 DIHED = 4089.2064 VDWAALS = -3024.1673 EEL = -29945.3217 HBOND = 0.0000 1-4 VDW = 2014.2890 1-4 EEL = 19692.7412 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2110 -5.6471E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9878 ANGLE = 1321.9144 DIHED = 4089.2259 VDWAALS = -3023.8905 EEL = -29981.6548 HBOND = 0.0000 1-4 VDW = 2014.4284 1-4 EEL = 19692.8488 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2115 -5.6688E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9890 ANGLE = 1321.9281 DIHED = 4089.2291 VDWAALS = -3023.8448 EEL = -30003.4371 HBOND = 0.0000 1-4 VDW = 2014.4513 1-4 EEL = 19692.8665 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2120 -5.6688E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9889 ANGLE = 1321.9264 DIHED = 4089.2287 VDWAALS = -3023.8504 EEL = -30003.4392 HBOND = 0.0000 1-4 VDW = 2014.4485 1-4 EEL = 19692.8643 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2125 -5.6658E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9888 ANGLE = 1321.9258 DIHED = 4089.2286 VDWAALS = -3023.8523 EEL = -30000.4126 HBOND = 0.0000 1-4 VDW = 2014.4475 1-4 EEL = 19692.8636 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2130 -5.5523E+03 1.3890E+00 1.4478E+01 OXT 1934 BOND = 239.9790 ANGLE = 1321.8117 DIHED = 4089.2019 VDWAALS = -3024.2359 EEL = -29886.0625 HBOND = 0.0000 1-4 VDW = 2014.2569 1-4 EEL = 19692.7162 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2135 -5.6688E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9887 ANGLE = 1321.9248 DIHED = 4089.2284 VDWAALS = -3023.8557 EEL = -30003.4412 HBOND = 0.0000 1-4 VDW = 2014.4458 1-4 EEL = 19692.8623 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2140 -5.6626E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9881 ANGLE = 1321.9177 DIHED = 4089.2267 VDWAALS = -3023.8791 EEL = -29997.1839 HBOND = 0.0000 1-4 VDW = 2014.4339 1-4 EEL = 19692.8531 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2145 -5.6786E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9884 ANGLE = 1321.9212 DIHED = 4089.2275 VDWAALS = -3023.8670 EEL = -30013.1623 HBOND = 0.0000 1-4 VDW = 2014.4398 1-4 EEL = 19692.8576 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2150 -5.6772E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9883 ANGLE = 1321.9198 DIHED = 4089.2272 VDWAALS = -3023.8717 EEL = -30011.7411 HBOND = 0.0000 1-4 VDW = 2014.4374 1-4 EEL = 19692.8558 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2155 -5.5485E+03 1.3890E+00 1.4477E+01 OXT 1934 BOND = 239.9784 ANGLE = 1321.8047 DIHED = 4089.2001 VDWAALS = -3024.2596 EEL = -29882.1999 HBOND = 0.0000 1-4 VDW = 2014.2452 1-4 EEL = 19692.7075 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2160 -5.5910E+03 1.3893E+00 1.4479E+01 OXT 1934 BOND = 239.9857 ANGLE = 1321.8895 DIHED = 4089.2201 VDWAALS = -3023.9767 EEL = -29925.2840 HBOND = 0.0000 1-4 VDW = 2014.3869 1-4 EEL = 19692.8168 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2165 -5.6772E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9881 ANGLE = 1321.9178 DIHED = 4089.2267 VDWAALS = -3023.8784 EEL = -30011.7435 HBOND = 0.0000 1-4 VDW = 2014.4341 1-4 EEL = 19692.8532 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2170 -5.6772E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9879 ANGLE = 1321.9147 DIHED = 4089.2260 VDWAALS = -3023.8886 EEL = -30011.7473 HBOND = 0.0000 1-4 VDW = 2014.4289 1-4 EEL = 19692.8492 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2175 -5.6805E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9879 ANGLE = 1321.9145 DIHED = 4089.2259 VDWAALS = -3023.8892 EEL = -30015.0627 HBOND = 0.0000 1-4 VDW = 2014.4285 1-4 EEL = 19692.8489 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2180 -5.5447E+03 1.3890E+00 1.4477E+01 OXT 1934 BOND = 239.9781 ANGLE = 1321.8004 DIHED = 4089.1989 VDWAALS = -3024.2736 EEL = -29878.3697 HBOND = 0.0000 1-4 VDW = 2014.2374 1-4 EEL = 19692.7016 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2185 -5.5805E+03 1.3893E+00 1.4479E+01 OXT 1934 BOND = 239.9853 ANGLE = 1321.8851 DIHED = 4089.2190 VDWAALS = -3023.9918 EEL = -29914.7934 HBOND = 0.0000 1-4 VDW = 2014.3793 1-4 EEL = 19692.8110 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2190 -5.6772E+03 1.3896E+00 1.4480E+01 OXT 1934 BOND = 239.9877 ANGLE = 1321.9133 DIHED = 4089.2257 VDWAALS = -3023.8933 EEL = -30011.7490 HBOND = 0.0000 1-4 VDW = 2014.4265 1-4 EEL = 19692.8474 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2195 -5.6438E+03 1.3896E+00 1.4479E+01 OXT 1934 BOND = 239.9877 ANGLE = 1321.9124 DIHED = 4089.2254 VDWAALS = -3023.8975 EEL = -29978.3421 HBOND = 0.0000 1-4 VDW = 2014.4251 1-4 EEL = 19692.8463 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2200 -5.6772E+03 1.3896E+00 1.4479E+01 OXT 1934 BOND = 239.9877 ANGLE = 1321.9130 DIHED = 4089.2256 VDWAALS = -3023.8941 EEL = -30011.7493 HBOND = 0.0000 1-4 VDW = 2014.4262 1-4 EEL = 19692.8471 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2205 -5.5308E+03 1.3889E+00 1.4477E+01 OXT 1934 BOND = 239.9779 ANGLE = 1321.7993 DIHED = 4089.1988 VDWAALS = -3024.2788 EEL = -29864.4350 HBOND = 0.0000 1-4 VDW = 2014.2357 1-4 EEL = 19692.6999 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2210 -5.6627E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9877 ANGLE = 1321.9124 DIHED = 4089.2255 VDWAALS = -3023.8967 EEL = -29997.1903 HBOND = 0.0000 1-4 VDW = 2014.4251 1-4 EEL = 19692.8463 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2215 -5.6772E+03 1.3896E+00 1.4479E+01 OXT 1934 BOND = 239.9877 ANGLE = 1321.9124 DIHED = 4089.2255 VDWAALS = -3023.8961 EEL = -30011.7500 HBOND = 0.0000 1-4 VDW = 2014.4251 1-4 EEL = 19692.8463 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2220 -5.6772E+03 1.3896E+00 1.4479E+01 OXT 1934 BOND = 239.9877 ANGLE = 1321.9124 DIHED = 4089.2255 VDWAALS = -3023.8961 EEL = -30011.7501 HBOND = 0.0000 1-4 VDW = 2014.4251 1-4 EEL = 19692.8463 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2225 -5.6627E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9877 ANGLE = 1321.9124 DIHED = 4089.2255 VDWAALS = -3023.8966 EEL = -29997.1903 HBOND = 0.0000 1-4 VDW = 2014.4251 1-4 EEL = 19692.8463 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2230 -5.5629E+03 1.3890E+00 1.4477E+01 OXT 1934 BOND = 239.9779 ANGLE = 1321.7983 DIHED = 4089.1986 VDWAALS = -3024.2791 EEL = -29896.4912 HBOND = 0.0000 1-4 VDW = 2014.2345 1-4 EEL = 19692.6993 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2235 -5.6424E+03 1.3896E+00 1.4479E+01 OXT 1934 BOND = 239.9876 ANGLE = 1321.9117 DIHED = 4089.2253 VDWAALS = -3023.9007 EEL = -29976.9125 HBOND = 0.0000 1-4 VDW = 2014.4239 1-4 EEL = 19692.8453 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2240 -5.6579E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9876 ANGLE = 1321.9117 DIHED = 4089.2253 VDWAALS = -3023.9001 EEL = -29992.3527 HBOND = 0.0000 1-4 VDW = 2014.4239 1-4 EEL = 19692.8454 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2245 -5.6579E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9876 ANGLE = 1321.9117 DIHED = 4089.2253 VDWAALS = -3023.9001 EEL = -29992.3527 HBOND = 0.0000 1-4 VDW = 2014.4239 1-4 EEL = 19692.8454 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2250 -5.6579E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9876 ANGLE = 1321.9117 DIHED = 4089.2253 VDWAALS = -3023.9001 EEL = -29992.3527 HBOND = 0.0000 1-4 VDW = 2014.4239 1-4 EEL = 19692.8454 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2255 -5.5796E+03 1.3889E+00 1.4477E+01 OXT 1934 BOND = 239.9779 ANGLE = 1321.7975 DIHED = 4089.1984 VDWAALS = -3024.2808 EEL = -29913.1934 HBOND = 0.0000 1-4 VDW = 2014.2330 1-4 EEL = 19692.6984 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2260 -5.6630E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9875 ANGLE = 1321.9105 DIHED = 4089.2250 VDWAALS = -3023.9031 EEL = -29997.4805 HBOND = 0.0000 1-4 VDW = 2014.4219 1-4 EEL = 19692.8438 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2265 -5.6256E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9869 ANGLE = 1321.9034 DIHED = 4089.2233 VDWAALS = -3023.9285 EEL = -29960.0228 HBOND = 0.0000 1-4 VDW = 2014.4100 1-4 EEL = 19692.8347 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2270 -5.6630E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9875 ANGLE = 1321.9104 DIHED = 4089.2250 VDWAALS = -3023.9033 EEL = -29997.4806 HBOND = 0.0000 1-4 VDW = 2014.4218 1-4 EEL = 19692.8437 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2275 -5.6630E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9874 ANGLE = 1321.9095 DIHED = 4089.2248 VDWAALS = -3023.9062 EEL = -29997.4817 HBOND = 0.0000 1-4 VDW = 2014.4203 1-4 EEL = 19692.8426 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2280 -5.5785E+03 1.3889E+00 1.4477E+01 OXT 1934 BOND = 239.9776 ANGLE = 1321.7950 DIHED = 4089.1978 VDWAALS = -3024.2892 EEL = -29912.1369 HBOND = 0.0000 1-4 VDW = 2014.2295 1-4 EEL = 19692.6952 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2285 -5.6507E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9873 ANGLE = 1321.9082 DIHED = 4089.2245 VDWAALS = -3023.9121 EEL = -29985.2045 HBOND = 0.0000 1-4 VDW = 2014.4181 1-4 EEL = 19692.8409 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2290 -5.6556E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9873 ANGLE = 1321.9083 DIHED = 4089.2245 VDWAALS = -3023.9109 EEL = -29990.0428 HBOND = 0.0000 1-4 VDW = 2014.4182 1-4 EEL = 19692.8410 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2295 -5.6556E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9873 ANGLE = 1321.9083 DIHED = 4089.2245 VDWAALS = -3023.9109 EEL = -29990.0429 HBOND = 0.0000 1-4 VDW = 2014.4182 1-4 EEL = 19692.8410 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2300 -5.6556E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9873 ANGLE = 1321.9083 DIHED = 4089.2245 VDWAALS = -3023.9109 EEL = -29990.0429 HBOND = 0.0000 1-4 VDW = 2014.4182 1-4 EEL = 19692.8410 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2305 -5.5944E+03 1.3890E+00 1.4477E+01 OXT 1934 BOND = 239.9776 ANGLE = 1321.7943 DIHED = 4089.1976 VDWAALS = -3024.2910 EEL = -29928.0415 HBOND = 0.0000 1-4 VDW = 2014.2281 1-4 EEL = 19692.6945 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2310 -5.6507E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9872 ANGLE = 1321.9072 DIHED = 4089.2242 VDWAALS = -3023.9155 EEL = -29985.1129 HBOND = 0.0000 1-4 VDW = 2014.4164 1-4 EEL = 19692.8396 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2315 -5.6422E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9866 ANGLE = 1321.9001 DIHED = 4089.2226 VDWAALS = -3023.9391 EEL = -29976.6536 HBOND = 0.0000 1-4 VDW = 2014.4046 1-4 EEL = 19692.8305 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2320 -5.6507E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9872 ANGLE = 1321.9071 DIHED = 4089.2242 VDWAALS = -3023.9158 EEL = -29985.1130 HBOND = 0.0000 1-4 VDW = 2014.4163 1-4 EEL = 19692.8395 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2325 -5.6652E+03 1.3896E+00 1.4479E+01 OXT 1934 BOND = 239.9872 ANGLE = 1321.9067 DIHED = 4089.2241 VDWAALS = -3023.9167 EEL = -29999.6733 HBOND = 0.0000 1-4 VDW = 2014.4155 1-4 EEL = 19692.8389 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2330 -5.5976E+03 1.3889E+00 1.4477E+01 OXT 1934 BOND = 239.9774 ANGLE = 1321.7919 DIHED = 4089.1972 VDWAALS = -3024.2962 EEL = -29931.1821 HBOND = 0.0000 1-4 VDW = 2014.2249 1-4 EEL = 19692.6917 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2335 -5.5979E+03 1.3893E+00 1.4479E+01 OXT 1934 BOND = 239.9846 ANGLE = 1321.8768 DIHED = 4089.2171 VDWAALS = -3024.0177 EEL = -29932.1561 HBOND = 0.0000 1-4 VDW = 2014.3659 1-4 EEL = 19692.8006 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2340 -5.6345E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9870 ANGLE = 1321.9049 DIHED = 4089.2237 VDWAALS = -3023.9229 EEL = -29968.9468 HBOND = 0.0000 1-4 VDW = 2014.4126 1-4 EEL = 19692.8366 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2345 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9865 ANGLE = 1321.8983 DIHED = 4089.2221 VDWAALS = -3023.9445 EEL = -29966.9826 HBOND = 0.0000 1-4 VDW = 2014.4017 1-4 EEL = 19692.8282 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2350 -5.6454E+03 1.3895E+00 1.4479E+01 OXT 1934 BOND = 239.9865 ANGLE = 1321.8988 DIHED = 4089.2222 VDWAALS = -3023.9424 EEL = -29979.7934 HBOND = 0.0000 1-4 VDW = 2014.4024 1-4 EEL = 19692.8288 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2355 -5.5845E+03 1.3889E+00 1.4477E+01 OXT 1934 BOND = 239.9765 ANGLE = 1321.7843 DIHED = 4089.1952 VDWAALS = -3024.3248 EEL = -29918.0283 HBOND = 0.0000 1-4 VDW = 2014.2113 1-4 EEL = 19692.6808 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2360 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9864 ANGLE = 1321.8978 DIHED = 4089.2220 VDWAALS = -3023.9462 EEL = -29966.9832 HBOND = 0.0000 1-4 VDW = 2014.4009 1-4 EEL = 19692.8276 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2365 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9864 ANGLE = 1321.8978 DIHED = 4089.2220 VDWAALS = -3023.9462 EEL = -29966.9832 HBOND = 0.0000 1-4 VDW = 2014.4009 1-4 EEL = 19692.8276 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2370 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9864 ANGLE = 1321.8978 DIHED = 4089.2220 VDWAALS = -3023.9463 EEL = -29966.9832 HBOND = 0.0000 1-4 VDW = 2014.4008 1-4 EEL = 19692.8275 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2375 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9864 ANGLE = 1321.8978 DIHED = 4089.2220 VDWAALS = -3023.9463 EEL = -29966.9833 HBOND = 0.0000 1-4 VDW = 2014.4008 1-4 EEL = 19692.8275 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2380 -5.5845E+03 1.3889E+00 1.4477E+01 OXT 1934 BOND = 239.9764 ANGLE = 1321.7834 DIHED = 4089.1950 VDWAALS = -3024.3277 EEL = -29918.0294 HBOND = 0.0000 1-4 VDW = 2014.2098 1-4 EEL = 19692.6797 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2385 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9864 ANGLE = 1321.8970 DIHED = 4089.2218 VDWAALS = -3023.9490 EEL = -29966.9842 HBOND = 0.0000 1-4 VDW = 2014.3994 1-4 EEL = 19692.8265 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2390 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9864 ANGLE = 1321.8970 DIHED = 4089.2218 VDWAALS = -3023.9490 EEL = -29966.9842 HBOND = 0.0000 1-4 VDW = 2014.3994 1-4 EEL = 19692.8265 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2395 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9863 ANGLE = 1321.8969 DIHED = 4089.2218 VDWAALS = -3023.9491 EEL = -29966.9843 HBOND = 0.0000 1-4 VDW = 2014.3994 1-4 EEL = 19692.8264 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2400 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9863 ANGLE = 1321.8969 DIHED = 4089.2218 VDWAALS = -3023.9491 EEL = -29966.9843 HBOND = 0.0000 1-4 VDW = 2014.3994 1-4 EEL = 19692.8264 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2405 -5.5845E+03 1.3889E+00 1.4477E+01 OXT 1934 BOND = 239.9764 ANGLE = 1321.7825 DIHED = 4089.1948 VDWAALS = -3024.3305 EEL = -29918.0304 HBOND = 0.0000 1-4 VDW = 2014.2084 1-4 EEL = 19692.6786 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2410 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9863 ANGLE = 1321.8961 DIHED = 4089.2216 VDWAALS = -3023.9518 EEL = -29966.9853 HBOND = 0.0000 1-4 VDW = 2014.3980 1-4 EEL = 19692.8254 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2415 -5.6218E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9863 ANGLE = 1321.8960 DIHED = 4089.2216 VDWAALS = -3023.9526 EEL = -29956.1462 HBOND = 0.0000 1-4 VDW = 2014.3979 1-4 EEL = 19692.8253 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2420 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9863 ANGLE = 1321.8961 DIHED = 4089.2216 VDWAALS = -3023.9519 EEL = -29966.9853 HBOND = 0.0000 1-4 VDW = 2014.3979 1-4 EEL = 19692.8253 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2425 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9863 ANGLE = 1321.8961 DIHED = 4089.2216 VDWAALS = -3023.9519 EEL = -29966.9853 HBOND = 0.0000 1-4 VDW = 2014.3979 1-4 EEL = 19692.8253 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2430 -5.5845E+03 1.3888E+00 1.4477E+01 OXT 1934 BOND = 239.9763 ANGLE = 1321.7817 DIHED = 4089.1946 VDWAALS = -3024.3333 EEL = -29918.0314 HBOND = 0.0000 1-4 VDW = 2014.2070 1-4 EEL = 19692.6775 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2435 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9862 ANGLE = 1321.8953 DIHED = 4089.2214 VDWAALS = -3023.9546 EEL = -29966.9863 HBOND = 0.0000 1-4 VDW = 2014.3966 1-4 EEL = 19692.8243 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2440 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9862 ANGLE = 1321.8953 DIHED = 4089.2214 VDWAALS = -3023.9546 EEL = -29966.9863 HBOND = 0.0000 1-4 VDW = 2014.3966 1-4 EEL = 19692.8243 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2445 -5.6326E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9862 ANGLE = 1321.8952 DIHED = 4089.2214 VDWAALS = -3023.9547 EEL = -29966.9863 HBOND = 0.0000 1-4 VDW = 2014.3965 1-4 EEL = 19692.8242 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2450 -5.6218E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9862 ANGLE = 1321.8952 DIHED = 4089.2214 VDWAALS = -3023.9553 EEL = -29956.1472 HBOND = 0.0000 1-4 VDW = 2014.3965 1-4 EEL = 19692.8242 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2455 -5.5954E+03 1.3888E+00 1.4477E+01 OXT 1934 BOND = 239.9760 ANGLE = 1321.7809 DIHED = 4089.1944 VDWAALS = -3024.3347 EEL = -29928.8715 HBOND = 0.0000 1-4 VDW = 2014.2056 1-4 EEL = 19692.6767 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2460 -5.6181E+03 1.3893E+00 1.4479E+01 OXT 1934 BOND = 239.9861 ANGLE = 1321.8943 DIHED = 4089.2212 VDWAALS = -3023.9584 EEL = -29952.4277 HBOND = 0.0000 1-4 VDW = 2014.3950 1-4 EEL = 19692.8230 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2465 -5.6072E+03 1.3893E+00 1.4479E+01 OXT 1934 BOND = 239.9861 ANGLE = 1321.8945 DIHED = 4089.2212 VDWAALS = -3023.9583 EEL = -29941.5883 HBOND = 0.0000 1-4 VDW = 2014.3953 1-4 EEL = 19692.8233 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2470 -5.6072E+03 1.3893E+00 1.4479E+01 OXT 1934 BOND = 239.9861 ANGLE = 1321.8945 DIHED = 4089.2212 VDWAALS = -3023.9582 EEL = -29941.5883 HBOND = 0.0000 1-4 VDW = 2014.3953 1-4 EEL = 19692.8233 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2475 -5.6218E+03 1.3894E+00 1.4479E+01 OXT 1934 BOND = 239.9861 ANGLE = 1321.8945 DIHED = 4089.2212 VDWAALS = -3023.9577 EEL = -29956.1481 HBOND = 0.0000 1-4 VDW = 2014.3953 1-4 EEL = 19692.8233 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2480 -5.6099E+03 1.3889E+00 1.4477E+01 OXT 1934 BOND = 239.9760 ANGLE = 1321.7801 DIHED = 4089.1942 VDWAALS = -3024.3363 EEL = -29943.4321 HBOND = 0.0000 1-4 VDW = 2014.2046 1-4 EEL = 19692.6760 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2485 -5.6334E+03 1.3785E+00 1.4452E+01 OXT 1934 BOND = 239.8389 ANGLE = 1320.1594 DIHED = 4088.8119 VDWAALS = -3029.7304 EEL = -29954.4873 HBOND = 0.0000 1-4 VDW = 2011.4704 1-4 EEL = 19690.5626 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2490 -5.6335E+03 1.3784E+00 1.4451E+01 OXT 1934 BOND = 239.8382 ANGLE = 1320.1509 DIHED = 4088.8099 VDWAALS = -3029.7589 EEL = -29954.4977 HBOND = 0.0000 1-4 VDW = 2011.4559 1-4 EEL = 19690.5514 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2495 -5.6335E+03 1.3783E+00 1.4451E+01 OXT 1934 BOND = 239.8374 ANGLE = 1320.1410 DIHED = 4088.8076 VDWAALS = -3029.7922 EEL = -29954.5099 HBOND = 0.0000 1-4 VDW = 2011.4390 1-4 EEL = 19690.5383 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2500 -5.6336E+03 1.3783E+00 1.4451E+01 OXT 1934 BOND = 239.8372 ANGLE = 1320.1390 DIHED = 4088.8071 VDWAALS = -3029.7988 EEL = -29954.5123 HBOND = 0.0000 1-4 VDW = 2011.4356 1-4 EEL = 19690.5357 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2505 -5.6580E+03 1.3769E+00 1.4445E+01 OXT 1934 BOND = 239.8244 ANGLE = 1319.9854 DIHED = 4088.7716 VDWAALS = -3030.2954 EEL = -29977.7824 HBOND = 0.0000 1-4 VDW = 2011.1864 1-4 EEL = 19690.3401 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2510 -5.6314E+03 1.3769E+00 1.4444E+01 OXT 1934 BOND = 239.8234 ANGLE = 1319.9743 DIHED = 4088.7691 VDWAALS = -3030.3319 EEL = -29951.0996 HBOND = 0.0000 1-4 VDW = 2011.1684 1-4 EEL = 19690.3260 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2515 -5.6574E+03 1.3768E+00 1.4444E+01 OXT 1934 BOND = 239.8236 ANGLE = 1319.9761 DIHED = 4088.7695 VDWAALS = -3030.3248 EEL = -29977.1017 HBOND = 0.0000 1-4 VDW = 2011.1713 1-4 EEL = 19690.3283 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2520 -5.6581E+03 1.3768E+00 1.4444E+01 OXT 1934 BOND = 239.8236 ANGLE = 1319.9763 DIHED = 4088.7696 VDWAALS = -3030.3242 EEL = -29977.8763 HBOND = 0.0000 1-4 VDW = 2011.1717 1-4 EEL = 19690.3286 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2525 -5.6574E+03 1.3768E+00 1.4444E+01 OXT 1934 BOND = 239.8236 ANGLE = 1319.9763 DIHED = 4088.7695 VDWAALS = -3030.3242 EEL = -29977.1015 HBOND = 0.0000 1-4 VDW = 2011.1716 1-4 EEL = 19690.3286 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2530 -5.6746E+03 1.3760E+00 1.4440E+01 OXT 1934 BOND = 239.8131 ANGLE = 1319.8590 DIHED = 4088.7419 VDWAALS = -3030.7076 EEL = -29993.4352 HBOND = 0.0000 1-4 VDW = 2010.9796 1-4 EEL = 19690.1777 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2535 -5.6474E+03 1.3710E+00 1.4411E+01 OXT 1934 BOND = 239.7457 ANGLE = 1319.0857 DIHED = 4088.5598 VDWAALS = -3033.2498 EEL = -29960.4652 HBOND = 0.0000 1-4 VDW = 2009.7066 1-4 EEL = 19689.1775 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2540 -5.6826E+03 1.3754E+00 1.4437E+01 OXT 1934 BOND = 239.8062 ANGLE = 1319.7816 DIHED = 4088.7236 VDWAALS = -3030.9602 EEL = -30000.8885 HBOND = 0.0000 1-4 VDW = 2010.8529 1-4 EEL = 19690.0782 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2545 -5.6826E+03 1.3754E+00 1.4437E+01 OXT 1934 BOND = 239.8060 ANGLE = 1319.7802 DIHED = 4088.7233 VDWAALS = -3030.9650 EEL = -30000.8902 HBOND = 0.0000 1-4 VDW = 2010.8505 1-4 EEL = 19690.0764 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2550 -5.6826E+03 1.3754E+00 1.4437E+01 OXT 1934 BOND = 239.8060 ANGLE = 1319.7802 DIHED = 4088.7233 VDWAALS = -3030.9650 EEL = -30000.8902 HBOND = 0.0000 1-4 VDW = 2010.8505 1-4 EEL = 19690.0764 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2555 -5.6380E+03 1.3744E+00 1.4432E+01 OXT 1934 BOND = 239.7949 ANGLE = 1319.6619 DIHED = 4088.6949 VDWAALS = -3031.3573 EEL = -29955.3405 HBOND = 0.0000 1-4 VDW = 2010.6554 1-4 EEL = 19689.9237 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2560 -5.6988E+03 1.3753E+00 1.4437E+01 OXT 1934 BOND = 239.8056 ANGLE = 1319.7753 DIHED = 4088.7221 VDWAALS = -3030.9805 EEL = -30017.0473 HBOND = 0.0000 1-4 VDW = 2010.8424 1-4 EEL = 19690.0700 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2565 -5.6990E+03 1.3751E+00 1.4436E+01 OXT 1934 BOND = 239.8039 ANGLE = 1319.7576 DIHED = 4088.7179 VDWAALS = -3031.0384 EEL = -30017.1073 HBOND = 0.0000 1-4 VDW = 2010.8133 1-4 EEL = 19690.0473 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2570 -5.6990E+03 1.3751E+00 1.4436E+01 OXT 1934 BOND = 239.8036 ANGLE = 1319.7548 DIHED = 4088.7172 VDWAALS = -3031.0476 EEL = -30017.1106 HBOND = 0.0000 1-4 VDW = 2010.8087 1-4 EEL = 19690.0436 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2575 -5.6937E+03 1.3751E+00 1.4436E+01 OXT 1934 BOND = 239.8036 ANGLE = 1319.7547 DIHED = 4088.7172 VDWAALS = -3031.0480 EEL = -30011.7876 HBOND = 0.0000 1-4 VDW = 2010.8085 1-4 EEL = 19690.0435 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2580 -5.6672E+03 1.3743E+00 1.4432E+01 OXT 1934 BOND = 239.7927 ANGLE = 1319.6398 DIHED = 4088.6893 VDWAALS = -3031.4320 EEL = -29984.3741 HBOND = 0.0000 1-4 VDW = 2010.6179 1-4 EEL = 19689.8942 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2585 -5.6894E+03 1.3750E+00 1.4435E+01 OXT 1934 BOND = 239.8026 ANGLE = 1319.7439 DIHED = 4088.7146 VDWAALS = -3031.0843 EEL = -30007.3876 HBOND = 0.0000 1-4 VDW = 2010.7906 1-4 EEL = 19690.0295 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2590 -5.6800E+03 1.3750E+00 1.4435E+01 OXT 1934 BOND = 239.8020 ANGLE = 1319.7373 DIHED = 4088.7130 VDWAALS = -3031.1067 EEL = -29997.9365 HBOND = 0.0000 1-4 VDW = 2010.7797 1-4 EEL = 19690.0210 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2595 -5.6800E+03 1.3750E+00 1.4435E+01 OXT 1934 BOND = 239.8024 ANGLE = 1319.7414 DIHED = 4088.7140 VDWAALS = -3031.0934 EEL = -29997.9317 HBOND = 0.0000 1-4 VDW = 2010.7864 1-4 EEL = 19690.0262 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2600 -5.6894E+03 1.3750E+00 1.4435E+01 OXT 1934 BOND = 239.8024 ANGLE = 1319.7422 DIHED = 4088.7142 VDWAALS = -3031.0900 EEL = -30007.3896 HBOND = 0.0000 1-4 VDW = 2010.7878 1-4 EEL = 19690.0272 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2605 -5.6660E+03 1.3742E+00 1.4431E+01 OXT 1934 BOND = 239.7918 ANGLE = 1319.6269 DIHED = 4088.6865 VDWAALS = -3031.4714 EEL = -29983.1459 HBOND = 0.0000 1-4 VDW = 2010.5978 1-4 EEL = 19689.8784 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2610 -5.6736E+03 1.3749E+00 1.4435E+01 OXT 1934 BOND = 239.8020 ANGLE = 1319.7369 DIHED = 4088.7129 VDWAALS = -3031.1081 EEL = -29991.5750 HBOND = 0.0000 1-4 VDW = 2010.7790 1-4 EEL = 19690.0204 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2615 -5.6895E+03 1.3750E+00 1.4435E+01 OXT 1934 BOND = 239.8020 ANGLE = 1319.7370 DIHED = 4088.7129 VDWAALS = -3031.1070 EEL = -30007.3958 HBOND = 0.0000 1-4 VDW = 2010.7793 1-4 EEL = 19690.0206 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2620 -5.6895E+03 1.3750E+00 1.4435E+01 OXT 1934 BOND = 239.8020 ANGLE = 1319.7370 DIHED = 4088.7129 VDWAALS = -3031.1071 EEL = -30007.3958 HBOND = 0.0000 1-4 VDW = 2010.7792 1-4 EEL = 19690.0205 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2625 -5.6736E+03 1.3749E+00 1.4435E+01 OXT 1934 BOND = 239.8020 ANGLE = 1319.7370 DIHED = 4088.7129 VDWAALS = -3031.1077 EEL = -29991.5749 HBOND = 0.0000 1-4 VDW = 2010.7792 1-4 EEL = 19690.0205 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2630 -5.6724E+03 1.3742E+00 1.4431E+01 OXT 1934 BOND = 239.7912 ANGLE = 1319.6229 DIHED = 4088.6852 VDWAALS = -3031.4878 EEL = -29989.5129 HBOND = 0.0000 1-4 VDW = 2010.5899 1-4 EEL = 19689.8723 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2635 -5.6895E+03 1.3750E+00 1.4435E+01 OXT 1934 BOND = 239.8019 ANGLE = 1319.7365 DIHED = 4088.7128 VDWAALS = -3031.1088 EEL = -30007.3964 HBOND = 0.0000 1-4 VDW = 2010.7783 1-4 EEL = 19690.0199 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2640 -5.6800E+03 1.3749E+00 1.4435E+01 OXT 1934 BOND = 239.8018 ANGLE = 1319.7357 DIHED = 4088.7126 VDWAALS = -3031.1121 EEL = -29997.9385 HBOND = 0.0000 1-4 VDW = 2010.7770 1-4 EEL = 19690.0188 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2645 -5.6800E+03 1.3749E+00 1.4435E+01 OXT 1934 BOND = 239.8019 ANGLE = 1319.7363 DIHED = 4088.7127 VDWAALS = -3031.1102 EEL = -29997.9378 HBOND = 0.0000 1-4 VDW = 2010.7780 1-4 EEL = 19690.0196 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2650 -5.6895E+03 1.3750E+00 1.4435E+01 OXT 1934 BOND = 239.8019 ANGLE = 1319.7364 DIHED = 4088.7128 VDWAALS = -3031.1091 EEL = -30007.3965 HBOND = 0.0000 1-4 VDW = 2010.7782 1-4 EEL = 19690.0198 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2655 -5.6661E+03 1.3742E+00 1.4431E+01 OXT 1934 BOND = 239.7913 ANGLE = 1319.6213 DIHED = 4088.6851 VDWAALS = -3031.4899 EEL = -29983.1526 HBOND = 0.0000 1-4 VDW = 2010.5886 1-4 EEL = 19689.8712 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2660 -5.6642E+03 1.3749E+00 1.4435E+01 OXT 1934 BOND = 239.8018 ANGLE = 1319.7355 DIHED = 4088.7126 VDWAALS = -3031.1131 EEL = -29982.1177 HBOND = 0.0000 1-4 VDW = 2010.7768 1-4 EEL = 19690.0187 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2665 -5.6800E+03 1.3749E+00 1.4435E+01 OXT 1934 BOND = 239.8018 ANGLE = 1319.7356 DIHED = 4088.7126 VDWAALS = -3031.1124 EEL = -29997.9386 HBOND = 0.0000 1-4 VDW = 2010.7769 1-4 EEL = 19690.0187 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2670 -5.6800E+03 1.3749E+00 1.4435E+01 OXT 1934 BOND = 239.8018 ANGLE = 1319.7356 DIHED = 4088.7126 VDWAALS = -3031.1124 EEL = -29997.9386 HBOND = 0.0000 1-4 VDW = 2010.7769 1-4 EEL = 19690.0187 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2675 -5.6642E+03 1.3749E+00 1.4435E+01 OXT 1934 BOND = 239.8018 ANGLE = 1319.7356 DIHED = 4088.7126 VDWAALS = -3031.1130 EEL = -29982.1177 HBOND = 0.0000 1-4 VDW = 2010.7769 1-4 EEL = 19690.0187 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2680 -5.6819E+03 1.3742E+00 1.4431E+01 OXT 1934 BOND = 239.7913 ANGLE = 1319.6210 DIHED = 4088.6847 VDWAALS = -3031.4936 EEL = -29998.9743 HBOND = 0.0000 1-4 VDW = 2010.5868 1-4 EEL = 19689.8700 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2685 -5.6795E+03 1.3742E+00 1.4431E+01 OXT 1934 BOND = 239.7913 ANGLE = 1319.6206 DIHED = 4088.6846 VDWAALS = -3031.4950 EEL = -29996.5200 HBOND = 0.0000 1-4 VDW = 2010.5861 1-4 EEL = 19689.8694 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2690 -5.6795E+03 1.3742E+00 1.4431E+01 OXT 1934 BOND = 239.7913 ANGLE = 1319.6206 DIHED = 4088.6846 VDWAALS = -3031.4949 EEL = -29996.5199 HBOND = 0.0000 1-4 VDW = 2010.5861 1-4 EEL = 19689.8694 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2695 -5.6819E+03 1.3742E+00 1.4431E+01 OXT 1934 BOND = 239.7913 ANGLE = 1319.6206 DIHED = 4088.6846 VDWAALS = -3031.4949 EEL = -29998.9748 HBOND = 0.0000 1-4 VDW = 2010.5862 1-4 EEL = 19689.8694 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2700 -5.6819E+03 1.3742E+00 1.4431E+01 OXT 1934 BOND = 239.7913 ANGLE = 1319.6206 DIHED = 4088.6846 VDWAALS = -3031.4949 EEL = -29998.9748 HBOND = 0.0000 1-4 VDW = 2010.5862 1-4 EEL = 19689.8694 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2705 -5.6550E+03 1.3732E+00 1.4427E+01 OXT 1934 BOND = 239.7802 ANGLE = 1319.5040 DIHED = 4088.6566 VDWAALS = -3031.8783 EEL = -29971.1458 HBOND = 0.0000 1-4 VDW = 2010.3933 1-4 EEL = 19689.7181 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2710 -5.6795E+03 1.3742E+00 1.4431E+01 OXT 1934 BOND = 239.7909 ANGLE = 1319.6166 DIHED = 4088.6836 VDWAALS = -3031.5082 EEL = -29996.5247 HBOND = 0.0000 1-4 VDW = 2010.5795 1-4 EEL = 19689.8642 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2715 -5.6562E+03 1.3741E+00 1.4431E+01 OXT 1934 BOND = 239.7906 ANGLE = 1319.6131 DIHED = 4088.6828 VDWAALS = -3031.5208 EEL = -29973.2059 HBOND = 0.0000 1-4 VDW = 2010.5737 1-4 EEL = 19689.8597 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2720 -5.6795E+03 1.3742E+00 1.4431E+01 OXT 1934 BOND = 239.7908 ANGLE = 1319.6152 DIHED = 4088.6833 VDWAALS = -3031.5125 EEL = -29996.5263 HBOND = 0.0000 1-4 VDW = 2010.5773 1-4 EEL = 19689.8625 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2725 -5.6795E+03 1.3742E+00 1.4431E+01 OXT 1934 BOND = 239.7908 ANGLE = 1319.6151 DIHED = 4088.6833 VDWAALS = -3031.5132 EEL = -29996.5265 HBOND = 0.0000 1-4 VDW = 2010.5770 1-4 EEL = 19689.8623 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2730 -5.6669E+03 1.3732E+00 1.4427E+01 OXT 1934 BOND = 239.7800 ANGLE = 1319.5005 DIHED = 4088.6557 VDWAALS = -3031.8899 EEL = -29982.9972 HBOND = 0.0000 1-4 VDW = 2010.3871 1-4 EEL = 19689.7135 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2735 -5.6663E+03 1.3741E+00 1.4431E+01 OXT 1934 BOND = 239.7903 ANGLE = 1319.6103 DIHED = 4088.6821 VDWAALS = -3031.5295 EEL = -29983.2540 HBOND = 0.0000 1-4 VDW = 2010.5691 1-4 EEL = 19689.8560 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2740 -5.6681E+03 1.3741E+00 1.4431E+01 OXT 1934 BOND = 239.7906 ANGLE = 1319.6132 DIHED = 4088.6828 VDWAALS = -3031.5200 EEL = -29985.0523 HBOND = 0.0000 1-4 VDW = 2010.5739 1-4 EEL = 19689.8598 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2745 -5.6681E+03 1.3741E+00 1.4431E+01 OXT 1934 BOND = 239.7906 ANGLE = 1319.6132 DIHED = 4088.6828 VDWAALS = -3031.5200 EEL = -29985.0523 HBOND = 0.0000 1-4 VDW = 2010.5738 1-4 EEL = 19689.8598 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2750 -5.6681E+03 1.3741E+00 1.4431E+01 OXT 1934 BOND = 239.7906 ANGLE = 1319.6130 DIHED = 4088.6828 VDWAALS = -3031.5206 EEL = -29985.0525 HBOND = 0.0000 1-4 VDW = 2010.5735 1-4 EEL = 19689.8595 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2755 -5.6766E+03 1.3732E+00 1.4427E+01 OXT 1934 BOND = 239.7800 ANGLE = 1319.4983 DIHED = 4088.6552 VDWAALS = -3031.8960 EEL = -29992.7355 HBOND = 0.0000 1-4 VDW = 2010.3837 1-4 EEL = 19689.7105 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2760 -5.6835E+03 1.3732E+00 1.4427E+01 OXT 1934 BOND = 239.7794 ANGLE = 1319.4919 DIHED = 4088.6537 VDWAALS = -3031.9162 EEL = -29999.6161 HBOND = 0.0000 1-4 VDW = 2010.3732 1-4 EEL = 19689.7022 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2765 -5.6835E+03 1.3732E+00 1.4427E+01 OXT 1934 BOND = 239.7793 ANGLE = 1319.4912 DIHED = 4088.6535 VDWAALS = -3031.9187 EEL = -29999.6170 HBOND = 0.0000 1-4 VDW = 2010.3720 1-4 EEL = 19689.7012 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2770 -5.6835E+03 1.3732E+00 1.4427E+01 OXT 1934 BOND = 239.7793 ANGLE = 1319.4910 DIHED = 4088.6535 VDWAALS = -3031.9193 EEL = -29999.6173 HBOND = 0.0000 1-4 VDW = 2010.3716 1-4 EEL = 19689.7010 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2775 -5.6835E+03 1.3732E+00 1.4427E+01 OXT 1934 BOND = 239.7793 ANGLE = 1319.4910 DIHED = 4088.6535 VDWAALS = -3031.9193 EEL = -29999.6173 HBOND = 0.0000 1-4 VDW = 2010.3716 1-4 EEL = 19689.7010 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2780 -5.6307E+03 1.3724E+00 1.4423E+01 OXT 1934 BOND = 239.7691 ANGLE = 1319.3746 DIHED = 4088.6252 VDWAALS = -3032.3078 EEL = -29945.9158 HBOND = 0.0000 1-4 VDW = 2010.1783 1-4 EEL = 19689.5495 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2785 -5.6835E+03 1.3731E+00 1.4426E+01 OXT 1934 BOND = 239.7790 ANGLE = 1319.4872 DIHED = 4088.6526 VDWAALS = -3031.9316 EEL = -29999.5863 HBOND = 0.0000 1-4 VDW = 2010.3654 1-4 EEL = 19689.6961 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2790 -5.6836E+03 1.3730E+00 1.4426E+01 OXT 1934 BOND = 239.7779 ANGLE = 1319.4750 DIHED = 4088.6496 VDWAALS = -3031.9722 EEL = -29999.6010 HBOND = 0.0000 1-4 VDW = 2010.3451 1-4 EEL = 19689.6802 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2795 -5.6837E+03 1.3730E+00 1.4426E+01 OXT 1934 BOND = 239.7778 ANGLE = 1319.4743 DIHED = 4088.6494 VDWAALS = -3031.9745 EEL = -29999.6018 HBOND = 0.0000 1-4 VDW = 2010.3439 1-4 EEL = 19689.6792 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2800 -5.6739E+03 1.3730E+00 1.4426E+01 OXT 1934 BOND = 239.7778 ANGLE = 1319.4741 DIHED = 4088.6494 VDWAALS = -3031.9757 EEL = -29989.8660 HBOND = 0.0000 1-4 VDW = 2010.3436 1-4 EEL = 19689.6790 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2805 -5.6412E+03 1.3723E+00 1.4422E+01 OXT 1934 BOND = 239.7679 ANGLE = 1319.3601 DIHED = 4088.6216 VDWAALS = -3032.3556 EEL = -29956.2583 HBOND = 0.0000 1-4 VDW = 2010.1540 1-4 EEL = 19689.5305 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2810 -5.6833E+03 1.3730E+00 1.4426E+01 OXT 1934 BOND = 239.7776 ANGLE = 1319.4719 DIHED = 4088.6488 VDWAALS = -3031.9826 EEL = -29999.2606 HBOND = 0.0000 1-4 VDW = 2010.3399 1-4 EEL = 19689.6761 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2815 -5.6834E+03 1.3730E+00 1.4426E+01 OXT 1934 BOND = 239.7770 ANGLE = 1319.4648 DIHED = 4088.6471 VDWAALS = -3032.0059 EEL = -29999.2690 HBOND = 0.0000 1-4 VDW = 2010.3282 1-4 EEL = 19689.6669 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2820 -5.6717E+03 1.3729E+00 1.4426E+01 OXT 1934 BOND = 239.7765 ANGLE = 1319.4584 DIHED = 4088.6455 VDWAALS = -3032.0279 EEL = -29987.5172 HBOND = 0.0000 1-4 VDW = 2010.3175 1-4 EEL = 19689.6585 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2825 -5.6717E+03 1.3729E+00 1.4426E+01 OXT 1934 BOND = 239.7765 ANGLE = 1319.4587 DIHED = 4088.6456 VDWAALS = -3032.0269 EEL = -29987.5169 HBOND = 0.0000 1-4 VDW = 2010.3180 1-4 EEL = 19689.6589 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2830 -5.6494E+03 1.3722E+00 1.4422E+01 OXT 1934 BOND = 239.7666 ANGLE = 1319.3447 DIHED = 4088.6179 VDWAALS = -3032.4072 EEL = -29964.3187 HBOND = 0.0000 1-4 VDW = 2010.1281 1-4 EEL = 19689.5103 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2835 -5.6678E+03 1.3729E+00 1.4425E+01 OXT 1934 BOND = 239.7762 ANGLE = 1319.4557 DIHED = 4088.6449 VDWAALS = -3032.0378 EEL = -29983.6044 HBOND = 0.0000 1-4 VDW = 2010.3131 1-4 EEL = 19689.6551 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2840 -5.6835E+03 1.3729E+00 1.4426E+01 OXT 1934 BOND = 239.7763 ANGLE = 1319.4568 DIHED = 4088.6451 VDWAALS = -3032.0327 EEL = -29999.3657 HBOND = 0.0000 1-4 VDW = 2010.3148 1-4 EEL = 19689.6564 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2845 -5.6835E+03 1.3729E+00 1.4426E+01 OXT 1934 BOND = 239.7763 ANGLE = 1319.4567 DIHED = 4088.6451 VDWAALS = -3032.0328 EEL = -29999.3657 HBOND = 0.0000 1-4 VDW = 2010.3147 1-4 EEL = 19689.6564 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2850 -5.6835E+03 1.3729E+00 1.4426E+01 OXT 1934 BOND = 239.7763 ANGLE = 1319.4567 DIHED = 4088.6451 VDWAALS = -3032.0328 EEL = -29999.3657 HBOND = 0.0000 1-4 VDW = 2010.3147 1-4 EEL = 19689.6564 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2855 -5.6533E+03 1.3722E+00 1.4422E+01 OXT 1934 BOND = 239.7663 ANGLE = 1319.3425 DIHED = 4088.6173 VDWAALS = -3032.4129 EEL = -29968.2367 HBOND = 0.0000 1-4 VDW = 2010.1247 1-4 EEL = 19689.5075 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2860 -5.6720E+03 1.3727E+00 1.4425E+01 OXT 1934 BOND = 239.7736 ANGLE = 1319.4259 DIHED = 4088.6376 VDWAALS = -3032.1355 EEL = -29987.5581 HBOND = 0.0000 1-4 VDW = 2010.2636 1-4 EEL = 19689.6163 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2865 -5.6681E+03 1.3727E+00 1.4424E+01 OXT 1934 BOND = 239.7733 ANGLE = 1319.4224 DIHED = 4088.6368 VDWAALS = -3032.1473 EEL = -29983.6771 HBOND = 0.0000 1-4 VDW = 2010.2577 1-4 EEL = 19689.6117 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2870 -5.6720E+03 1.3727E+00 1.4425E+01 OXT 1934 BOND = 239.7736 ANGLE = 1319.4258 DIHED = 4088.6376 VDWAALS = -3032.1359 EEL = -29987.5583 HBOND = 0.0000 1-4 VDW = 2010.2633 1-4 EEL = 19689.6161 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2875 -5.6681E+03 1.3727E+00 1.4425E+01 OXT 1934 BOND = 239.7736 ANGLE = 1319.4253 DIHED = 4088.6375 VDWAALS = -3032.1377 EEL = -29983.6737 HBOND = 0.0000 1-4 VDW = 2010.2624 1-4 EEL = 19689.6154 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2880 -5.6609E+03 1.3720E+00 1.4421E+01 OXT 1934 BOND = 239.7635 ANGLE = 1319.3096 DIHED = 4088.6093 VDWAALS = -3032.5232 EEL = -29975.6042 HBOND = 0.0000 1-4 VDW = 2010.0696 1-4 EEL = 19689.4645 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2885 -5.6681E+03 1.3727E+00 1.4424E+01 OXT 1934 BOND = 239.7733 ANGLE = 1319.4220 DIHED = 4088.6367 VDWAALS = -3032.1488 EEL = -29983.6777 HBOND = 0.0000 1-4 VDW = 2010.2569 1-4 EEL = 19689.6111 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2890 -5.6681E+03 1.3727E+00 1.4424E+01 OXT 1934 BOND = 239.7732 ANGLE = 1319.4213 DIHED = 4088.6365 VDWAALS = -3032.1511 EEL = -29983.6785 HBOND = 0.0000 1-4 VDW = 2010.2557 1-4 EEL = 19689.6102 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2895 -5.6681E+03 1.3727E+00 1.4424E+01 OXT 1934 BOND = 239.7732 ANGLE = 1319.4212 DIHED = 4088.6365 VDWAALS = -3032.1512 EEL = -29983.6785 HBOND = 0.0000 1-4 VDW = 2010.2557 1-4 EEL = 19689.6101 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2900 -5.6681E+03 1.3727E+00 1.4424E+01 OXT 1934 BOND = 239.7732 ANGLE = 1319.4212 DIHED = 4088.6365 VDWAALS = -3032.1512 EEL = -29983.6785 HBOND = 0.0000 1-4 VDW = 2010.2557 1-4 EEL = 19689.6101 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2905 -5.6707E+03 1.3720E+00 1.4421E+01 OXT 1934 BOND = 239.7634 ANGLE = 1319.3073 DIHED = 4088.6087 VDWAALS = -3032.5306 EEL = -29985.3431 HBOND = 0.0000 1-4 VDW = 2010.0656 1-4 EEL = 19689.4613 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2910 -5.6980E+03 1.3704E+00 1.4413E+01 OXT 1934 BOND = 239.7399 ANGLE = 1319.0331 DIHED = 4088.5418 VDWAALS = -3033.4432 EEL = -30010.5732 HBOND = 0.0000 1-4 VDW = 2009.6068 1-4 EEL = 19689.1020 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2915 -5.6985E+03 1.3703E+00 1.4412E+01 OXT 1934 BOND = 239.7390 ANGLE = 1319.0219 DIHED = 4088.5391 VDWAALS = -3033.4806 EEL = -30010.9550 HBOND = 0.0000 1-4 VDW = 2009.5881 1-4 EEL = 19689.0874 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2920 -5.6985E+03 1.3703E+00 1.4412E+01 OXT 1934 BOND = 239.7387 ANGLE = 1319.0185 DIHED = 4088.5383 VDWAALS = -3033.4919 EEL = -30010.9590 HBOND = 0.0000 1-4 VDW = 2009.5824 1-4 EEL = 19689.0830 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2925 -5.7041E+03 1.3701E+00 1.4411E+01 OXT 1934 BOND = 239.7350 ANGLE = 1318.9745 DIHED = 4088.5275 VDWAALS = -3033.6389 EEL = -30016.2660 HBOND = 0.0000 1-4 VDW = 2009.5086 1-4 EEL = 19689.0251 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2930 -5.6554E+03 1.3693E+00 1.4408E+01 OXT 1934 BOND = 239.7250 ANGLE = 1318.8529 DIHED = 4088.4986 VDWAALS = -3034.0409 EEL = -29966.6287 HBOND = 0.0000 1-4 VDW = 2009.3065 1-4 EEL = 19688.8647 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2935 -5.7009E+03 1.3700E+00 1.4411E+01 OXT 1934 BOND = 239.7342 ANGLE = 1318.9650 DIHED = 4088.5252 VDWAALS = -3033.6704 EEL = -30012.9624 HBOND = 0.0000 1-4 VDW = 2009.4928 1-4 EEL = 19689.0126 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2940 -5.6996E+03 1.3699E+00 1.4410E+01 OXT 1934 BOND = 239.7330 ANGLE = 1318.9507 DIHED = 4088.5218 VDWAALS = -3033.7180 EEL = -30011.5511 HBOND = 0.0000 1-4 VDW = 2009.4690 1-4 EEL = 19688.9937 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2945 -5.7043E+03 1.3699E+00 1.4410E+01 OXT 1934 BOND = 239.7336 ANGLE = 1318.9574 DIHED = 4088.5234 VDWAALS = -3033.6953 EEL = -30016.2867 HBOND = 0.0000 1-4 VDW = 2009.4802 1-4 EEL = 19689.0026 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2950 -5.6965E+03 1.3699E+00 1.4410E+01 OXT 1934 BOND = 239.7335 ANGLE = 1318.9570 DIHED = 4088.5233 VDWAALS = -3033.6973 EEL = -30008.5162 HBOND = 0.0000 1-4 VDW = 2009.4795 1-4 EEL = 19689.0021 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2955 -5.6456E+03 1.3692E+00 1.4408E+01 OXT 1934 BOND = 239.7241 ANGLE = 1318.8433 DIHED = 4088.4959 VDWAALS = -3034.0737 EEL = -29956.7501 HBOND = 0.0000 1-4 VDW = 2009.2900 1-4 EEL = 19688.8520 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2960 -5.6965E+03 1.3699E+00 1.4410E+01 OXT 1934 BOND = 239.7334 ANGLE = 1318.9557 DIHED = 4088.5230 VDWAALS = -3033.7017 EEL = -30008.5178 HBOND = 0.0000 1-4 VDW = 2009.4773 1-4 EEL = 19689.0003 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2965 -5.6926E+03 1.3699E+00 1.4410E+01 OXT 1934 BOND = 239.7331 ANGLE = 1318.9521 DIHED = 4088.5221 VDWAALS = -3033.7135 EEL = -30004.5289 HBOND = 0.0000 1-4 VDW = 2009.4713 1-4 EEL = 19688.9955 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2970 -5.7040E+03 1.3699E+00 1.4410E+01 OXT 1934 BOND = 239.7332 ANGLE = 1318.9525 DIHED = 4088.5222 VDWAALS = -3033.7116 EEL = -30016.0049 HBOND = 0.0000 1-4 VDW = 2009.4720 1-4 EEL = 19688.9961 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2975 -5.7074E+03 1.3699E+00 1.4410E+01 OXT 1934 BOND = 239.7332 ANGLE = 1318.9525 DIHED = 4088.5223 VDWAALS = -3033.7114 EEL = -30019.3200 HBOND = 0.0000 1-4 VDW = 2009.4721 1-4 EEL = 19688.9962 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2980 -5.6577E+03 1.3693E+00 1.4407E+01 OXT 1934 BOND = 239.7238 ANGLE = 1318.8384 DIHED = 4088.4949 VDWAALS = -3034.0881 EEL = -29968.7513 HBOND = 0.0000 1-4 VDW = 2009.2824 1-4 EEL = 19688.8458 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2985 -5.6665E+03 1.3699E+00 1.4410E+01 OXT 1934 BOND = 239.7307 ANGLE = 1318.9227 DIHED = 4088.5151 VDWAALS = -3033.8113 EEL = -29978.2720 HBOND = 0.0000 1-4 VDW = 2009.4224 1-4 EEL = 19688.9568 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2990 -5.7074E+03 1.3699E+00 1.4410E+01 OXT 1934 BOND = 239.7330 ANGLE = 1318.9506 DIHED = 4088.5218 VDWAALS = -3033.7177 EEL = -30019.3223 HBOND = 0.0000 1-4 VDW = 2009.4689 1-4 EEL = 19688.9936 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2995 -5.7074E+03 1.3699E+00 1.4410E+01 OXT 1934 BOND = 239.7329 ANGLE = 1318.9489 DIHED = 4088.5214 VDWAALS = -3033.7234 EEL = -30019.3244 HBOND = 0.0000 1-4 VDW = 2009.4660 1-4 EEL = 19688.9913 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3000 -5.7074E+03 1.3699E+00 1.4410E+01 OXT 1934 BOND = 239.7329 ANGLE = 1318.9489 DIHED = 4088.5214 VDWAALS = -3033.7234 EEL = -30019.3244 HBOND = 0.0000 1-4 VDW = 2009.4660 1-4 EEL = 19688.9913 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3005 -5.6451E+03 1.3692E+00 1.4407E+01 OXT 1934 BOND = 239.7234 ANGLE = 1318.8352 DIHED = 4088.4939 VDWAALS = -3034.1005 EEL = -29956.2013 HBOND = 0.0000 1-4 VDW = 2009.2765 1-4 EEL = 19688.8413 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3010 -5.6996E+03 1.3699E+00 1.4410E+01 OXT 1934 BOND = 239.7327 ANGLE = 1318.9474 DIHED = 4088.5210 VDWAALS = -3033.7289 EEL = -30011.5551 HBOND = 0.0000 1-4 VDW = 2009.4636 1-4 EEL = 19688.9894 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3015 -5.6927E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7321 ANGLE = 1318.9404 DIHED = 4088.5193 VDWAALS = -3033.7522 EEL = -30004.5431 HBOND = 0.0000 1-4 VDW = 2009.4518 1-4 EEL = 19688.9801 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3020 -5.6996E+03 1.3699E+00 1.4410E+01 OXT 1934 BOND = 239.7327 ANGLE = 1318.9474 DIHED = 4088.5210 VDWAALS = -3033.7291 EEL = -30011.5552 HBOND = 0.0000 1-4 VDW = 2009.4634 1-4 EEL = 19688.9893 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3025 -5.6996E+03 1.3699E+00 1.4410E+01 OXT 1934 BOND = 239.7327 ANGLE = 1318.9473 DIHED = 4088.5210 VDWAALS = -3033.7291 EEL = -30011.5552 HBOND = 0.0000 1-4 VDW = 2009.4634 1-4 EEL = 19688.9893 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3030 -5.6476E+03 1.3691E+00 1.4407E+01 OXT 1934 BOND = 239.7232 ANGLE = 1318.8336 DIHED = 4088.4935 VDWAALS = -3034.1052 EEL = -29958.6545 HBOND = 0.0000 1-4 VDW = 2009.2738 1-4 EEL = 19688.8392 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3035 -5.6996E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7327 ANGLE = 1318.9467 DIHED = 4088.5208 VDWAALS = -3033.7314 EEL = -30011.5560 HBOND = 0.0000 1-4 VDW = 2009.4623 1-4 EEL = 19688.9884 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3040 -5.6848E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7327 ANGLE = 1318.9466 DIHED = 4088.5208 VDWAALS = -3033.7323 EEL = -29996.7645 HBOND = 0.0000 1-4 VDW = 2009.4622 1-4 EEL = 19688.9883 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3045 -5.6996E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7327 ANGLE = 1318.9467 DIHED = 4088.5208 VDWAALS = -3033.7314 EEL = -30011.5560 HBOND = 0.0000 1-4 VDW = 2009.4623 1-4 EEL = 19688.9884 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3050 -5.6996E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7327 ANGLE = 1318.9467 DIHED = 4088.5208 VDWAALS = -3033.7314 EEL = -30011.5560 HBOND = 0.0000 1-4 VDW = 2009.4623 1-4 EEL = 19688.9884 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3055 -5.6506E+03 1.3691E+00 1.4407E+01 OXT 1934 BOND = 239.7232 ANGLE = 1318.8328 DIHED = 4088.4934 VDWAALS = -3034.1078 EEL = -29961.6827 HBOND = 0.0000 1-4 VDW = 2009.2725 1-4 EEL = 19688.8381 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3060 -5.6849E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7326 ANGLE = 1318.9457 DIHED = 4088.5206 VDWAALS = -3033.7351 EEL = -29996.7655 HBOND = 0.0000 1-4 VDW = 2009.4608 1-4 EEL = 19688.9872 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3065 -5.6966E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7326 ANGLE = 1318.9458 DIHED = 4088.5206 VDWAALS = -3033.7342 EEL = -30008.5298 HBOND = 0.0000 1-4 VDW = 2009.4609 1-4 EEL = 19688.9873 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3070 -5.6966E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7326 ANGLE = 1318.9458 DIHED = 4088.5206 VDWAALS = -3033.7342 EEL = -30008.5298 HBOND = 0.0000 1-4 VDW = 2009.4609 1-4 EEL = 19688.9873 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3075 -5.6851E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7326 ANGLE = 1318.9458 DIHED = 4088.5206 VDWAALS = -3033.7348 EEL = -29997.0532 HBOND = 0.0000 1-4 VDW = 2009.4609 1-4 EEL = 19688.9873 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3080 -5.6624E+03 1.3692E+00 1.4407E+01 OXT 1934 BOND = 239.7232 ANGLE = 1318.8316 DIHED = 4088.4933 VDWAALS = -3034.1100 EEL = -29973.4481 HBOND = 0.0000 1-4 VDW = 2009.2710 1-4 EEL = 19688.8368 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3085 -5.6551E+03 1.3699E+00 1.4409E+01 OXT 1934 BOND = 239.7301 ANGLE = 1318.9156 DIHED = 4088.5134 VDWAALS = -3033.8350 EEL = -29966.8040 HBOND = 0.0000 1-4 VDW = 2009.4107 1-4 EEL = 19688.9475 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3090 -5.7044E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7324 ANGLE = 1318.9435 DIHED = 4088.5201 VDWAALS = -3033.7412 EEL = -30016.3036 HBOND = 0.0000 1-4 VDW = 2009.4571 1-4 EEL = 19688.9843 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3095 -5.7044E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7321 ANGLE = 1318.9395 DIHED = 4088.5191 VDWAALS = -3033.7544 EEL = -30016.3085 HBOND = 0.0000 1-4 VDW = 2009.4504 1-4 EEL = 19688.9790 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3100 -5.7044E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7321 ANGLE = 1318.9395 DIHED = 4088.5191 VDWAALS = -3033.7546 EEL = -30016.3086 HBOND = 0.0000 1-4 VDW = 2009.4503 1-4 EEL = 19688.9789 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3105 -5.6400E+03 1.3691E+00 1.4407E+01 OXT 1934 BOND = 239.7226 ANGLE = 1318.8253 DIHED = 4088.4916 VDWAALS = -3034.1331 EEL = -29950.9828 HBOND = 0.0000 1-4 VDW = 2009.2601 1-4 EEL = 19688.8282 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3110 -5.6967E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7319 ANGLE = 1318.9378 DIHED = 4088.5187 VDWAALS = -3033.7609 EEL = -30008.5396 HBOND = 0.0000 1-4 VDW = 2009.4475 1-4 EEL = 19688.9767 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3115 -5.6927E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7316 ANGLE = 1318.9342 DIHED = 4088.5179 VDWAALS = -3033.7725 EEL = -30004.5506 HBOND = 0.0000 1-4 VDW = 2009.4416 1-4 EEL = 19688.9720 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3120 -5.7045E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7318 ANGLE = 1318.9364 DIHED = 4088.5184 VDWAALS = -3033.7647 EEL = -30016.3123 HBOND = 0.0000 1-4 VDW = 2009.4452 1-4 EEL = 19688.9749 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3125 -5.7045E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7318 ANGLE = 1318.9364 DIHED = 4088.5184 VDWAALS = -3033.7647 EEL = -30016.3123 HBOND = 0.0000 1-4 VDW = 2009.4452 1-4 EEL = 19688.9749 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3130 -5.6515E+03 1.3691E+00 1.4407E+01 OXT 1934 BOND = 239.7225 ANGLE = 1318.8223 DIHED = 4088.4910 VDWAALS = -3034.1416 EEL = -29962.4624 HBOND = 0.0000 1-4 VDW = 2009.2554 1-4 EEL = 19688.8243 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3135 -5.6964E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7317 ANGLE = 1318.9346 DIHED = 4088.5180 VDWAALS = -3033.7712 EEL = -30008.2555 HBOND = 0.0000 1-4 VDW = 2009.4423 1-4 EEL = 19688.9725 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3140 -5.6880E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7311 ANGLE = 1318.9276 DIHED = 4088.5163 VDWAALS = -3033.7945 EEL = -29999.7670 HBOND = 0.0000 1-4 VDW = 2009.4306 1-4 EEL = 19688.9633 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3145 -5.6880E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7312 ANGLE = 1318.9285 DIHED = 4088.5165 VDWAALS = -3033.7917 EEL = -29999.7660 HBOND = 0.0000 1-4 VDW = 2009.4320 1-4 EEL = 19688.9644 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3150 -5.7042E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7312 ANGLE = 1318.9290 DIHED = 4088.5166 VDWAALS = -3033.7892 EEL = -30016.0334 HBOND = 0.0000 1-4 VDW = 2009.4329 1-4 EEL = 19688.9651 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3155 -5.6404E+03 1.3690E+00 1.4407E+01 OXT 1934 BOND = 239.7217 ANGLE = 1318.8150 DIHED = 4088.4892 VDWAALS = -3034.1669 EEL = -29951.2833 HBOND = 0.0000 1-4 VDW = 2009.2430 1-4 EEL = 19688.8148 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3160 -5.6965E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7311 ANGLE = 1318.9275 DIHED = 4088.5162 VDWAALS = -3033.7948 EEL = -30008.2642 HBOND = 0.0000 1-4 VDW = 2009.4304 1-4 EEL = 19688.9631 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3165 -5.6710E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7308 ANGLE = 1318.9240 DIHED = 4088.5154 VDWAALS = -3033.8069 EEL = -29982.7742 HBOND = 0.0000 1-4 VDW = 2009.4245 1-4 EEL = 19688.9585 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3170 -5.6965E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7311 ANGLE = 1318.9275 DIHED = 4088.5162 VDWAALS = -3033.7949 EEL = -30008.2642 HBOND = 0.0000 1-4 VDW = 2009.4304 1-4 EEL = 19688.9631 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3175 -5.6965E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7310 ANGLE = 1318.9270 DIHED = 4088.5161 VDWAALS = -3033.7965 EEL = -30008.2648 HBOND = 0.0000 1-4 VDW = 2009.4296 1-4 EEL = 19688.9625 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3180 -5.6404E+03 1.3690E+00 1.4407E+01 OXT 1934 BOND = 239.7216 ANGLE = 1318.8136 DIHED = 4088.4888 VDWAALS = -3034.1718 EEL = -29951.2850 HBOND = 0.0000 1-4 VDW = 2009.2405 1-4 EEL = 19688.8129 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3185 -5.7043E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7310 ANGLE = 1318.9261 DIHED = 4088.5159 VDWAALS = -3033.7989 EEL = -30016.0370 HBOND = 0.0000 1-4 VDW = 2009.4280 1-4 EEL = 19688.9612 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3190 -5.6551E+03 1.3699E+00 1.4409E+01 OXT 1934 BOND = 239.7304 ANGLE = 1318.9190 DIHED = 4088.5142 VDWAALS = -3033.8240 EEL = -29966.8000 HBOND = 0.0000 1-4 VDW = 2009.4163 1-4 EEL = 19688.9520 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3195 -5.7043E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7310 ANGLE = 1318.9260 DIHED = 4088.5159 VDWAALS = -3033.7990 EEL = -30016.0371 HBOND = 0.0000 1-4 VDW = 2009.4280 1-4 EEL = 19688.9612 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3200 -5.7043E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7309 ANGLE = 1318.9256 DIHED = 4088.5158 VDWAALS = -3033.8003 EEL = -30016.0375 HBOND = 0.0000 1-4 VDW = 2009.4273 1-4 EEL = 19688.9607 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3205 -5.6519E+03 1.3690E+00 1.4407E+01 OXT 1934 BOND = 239.7216 ANGLE = 1318.8116 DIHED = 4088.4885 VDWAALS = -3034.1767 EEL = -29962.7634 HBOND = 0.0000 1-4 VDW = 2009.2377 1-4 EEL = 19688.8104 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3210 -5.6296E+03 1.3698E+00 1.4409E+01 OXT 1934 BOND = 239.7285 ANGLE = 1318.8959 DIHED = 4088.5087 VDWAALS = -3033.9009 EEL = -29941.1618 HBOND = 0.0000 1-4 VDW = 2009.3779 1-4 EEL = 19688.9215 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3215 -5.6965E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7308 ANGLE = 1318.9240 DIHED = 4088.5154 VDWAALS = -3033.8064 EEL = -30008.2685 HBOND = 0.0000 1-4 VDW = 2009.4245 1-4 EEL = 19688.9585 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3220 -5.7043E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7307 ANGLE = 1318.9231 DIHED = 4088.5152 VDWAALS = -3033.8087 EEL = -30016.0406 HBOND = 0.0000 1-4 VDW = 2009.4231 1-4 EEL = 19688.9573 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3225 -5.6825E+03 1.3698E+00 1.4410E+01 OXT 1934 BOND = 239.7307 ANGLE = 1318.9223 DIHED = 4088.5150 VDWAALS = -3033.8120 EEL = -29994.2528 HBOND = 0.0000 1-4 VDW = 2009.4217 1-4 EEL = 19688.9563 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3230 -5.6404E+03 1.3690E+00 1.4407E+01 OXT 1934 BOND = 239.7211 ANGLE = 1318.8085 DIHED = 4088.4876 VDWAALS = -3034.1884 EEL = -29951.2912 HBOND = 0.0000 1-4 VDW = 2009.2321 1-4 EEL = 19688.8063 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3235 -5.6965E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7305 ANGLE = 1318.9210 DIHED = 4088.5147 VDWAALS = -3033.8162 EEL = -30008.2721 HBOND = 0.0000 1-4 VDW = 2009.4196 1-4 EEL = 19688.9546 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3240 -5.6551E+03 1.3699E+00 1.4409E+01 OXT 1934 BOND = 239.7303 ANGLE = 1318.9175 DIHED = 4088.5138 VDWAALS = -3033.8291 EEL = -29966.8019 HBOND = 0.0000 1-4 VDW = 2009.4137 1-4 EEL = 19688.9499 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3245 -5.6965E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7305 ANGLE = 1318.9210 DIHED = 4088.5147 VDWAALS = -3033.8163 EEL = -30008.2721 HBOND = 0.0000 1-4 VDW = 2009.4196 1-4 EEL = 19688.9546 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3250 -5.6851E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7305 ANGLE = 1318.9208 DIHED = 4088.5146 VDWAALS = -3033.8176 EEL = -29996.7959 HBOND = 0.0000 1-4 VDW = 2009.4192 1-4 EEL = 19688.9543 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3255 -5.6567E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7211 ANGLE = 1318.8074 DIHED = 4088.4872 VDWAALS = -3034.1918 EEL = -29967.5610 HBOND = 0.0000 1-4 VDW = 2009.2299 1-4 EEL = 19688.8047 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3260 -5.6966E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7305 ANGLE = 1318.9203 DIHED = 4088.5145 VDWAALS = -3033.8184 EEL = -30008.2729 HBOND = 0.0000 1-4 VDW = 2009.4185 1-4 EEL = 19688.9537 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3265 -5.6851E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7305 ANGLE = 1318.9203 DIHED = 4088.5145 VDWAALS = -3033.8190 EEL = -29996.7964 HBOND = 0.0000 1-4 VDW = 2009.4185 1-4 EEL = 19688.9537 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3270 -5.6966E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7305 ANGLE = 1318.9203 DIHED = 4088.5145 VDWAALS = -3033.8184 EEL = -30008.2729 HBOND = 0.0000 1-4 VDW = 2009.4185 1-4 EEL = 19688.9537 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3275 -5.6966E+03 1.3697E+00 1.4410E+01 OXT 1934 BOND = 239.7305 ANGLE = 1318.9203 DIHED = 4088.5145 VDWAALS = -3033.8184 EEL = -30008.2729 HBOND = 0.0000 1-4 VDW = 2009.4185 1-4 EEL = 19688.9537 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3280 -5.6519E+03 1.3690E+00 1.4407E+01 OXT 1934 BOND = 239.7211 ANGLE = 1318.8064 DIHED = 4088.4872 VDWAALS = -3034.1938 EEL = -29962.7697 HBOND = 0.0000 1-4 VDW = 2009.2291 1-4 EEL = 19688.8035 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3285 -5.6929E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7304 ANGLE = 1318.9197 DIHED = 4088.5144 VDWAALS = -3033.8204 EEL = -30004.5682 HBOND = 0.0000 1-4 VDW = 2009.4175 1-4 EEL = 19688.9529 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3290 -5.7043E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7304 ANGLE = 1318.9195 DIHED = 4088.5143 VDWAALS = -3033.8205 EEL = -30016.0450 HBOND = 0.0000 1-4 VDW = 2009.4172 1-4 EEL = 19688.9527 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3295 -5.7043E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7304 ANGLE = 1318.9195 DIHED = 4088.5143 VDWAALS = -3033.8205 EEL = -30016.0450 HBOND = 0.0000 1-4 VDW = 2009.4172 1-4 EEL = 19688.9527 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3300 -5.7043E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7304 ANGLE = 1318.9195 DIHED = 4088.5143 VDWAALS = -3033.8205 EEL = -30016.0450 HBOND = 0.0000 1-4 VDW = 2009.4171 1-4 EEL = 19688.9526 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3305 -5.6486E+03 1.3690E+00 1.4407E+01 OXT 1934 BOND = 239.7211 ANGLE = 1318.8055 DIHED = 4088.4869 VDWAALS = -3034.1970 EEL = -29959.4556 HBOND = 0.0000 1-4 VDW = 2009.2275 1-4 EEL = 19688.8022 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3310 -5.6936E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7303 ANGLE = 1318.9177 DIHED = 4088.5139 VDWAALS = -3033.8274 EEL = -30005.2489 HBOND = 0.0000 1-4 VDW = 2009.4140 1-4 EEL = 19688.9502 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3315 -5.6388E+03 1.3699E+00 1.4409E+01 OXT 1934 BOND = 239.7297 ANGLE = 1318.9106 DIHED = 4088.5122 VDWAALS = -3033.8518 EEL = -29950.4597 HBOND = 0.0000 1-4 VDW = 2009.4023 1-4 EEL = 19688.9409 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3320 -5.6936E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7303 ANGLE = 1318.9176 DIHED = 4088.5139 VDWAALS = -3033.8275 EEL = -30005.2490 HBOND = 0.0000 1-4 VDW = 2009.4140 1-4 EEL = 19688.9501 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3325 -5.7013E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7302 ANGLE = 1318.9167 DIHED = 4088.5137 VDWAALS = -3033.8298 EEL = -30013.0211 HBOND = 0.0000 1-4 VDW = 2009.4125 1-4 EEL = 19688.9490 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3330 -5.6598E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7208 ANGLE = 1318.8032 DIHED = 4088.4863 VDWAALS = -3034.2056 EEL = -29970.5933 HBOND = 0.0000 1-4 VDW = 2009.2229 1-4 EEL = 19688.7991 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3335 -5.6851E+03 1.3696E+00 1.4409E+01 OXT 1934 BOND = 239.7301 ANGLE = 1318.9150 DIHED = 4088.5132 VDWAALS = -3033.8366 EEL = -29996.8029 HBOND = 0.0000 1-4 VDW = 2009.4096 1-4 EEL = 19688.9467 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3340 -5.6851E+03 1.3696E+00 1.4409E+01 OXT 1934 BOND = 239.7300 ANGLE = 1318.9147 DIHED = 4088.5132 VDWAALS = -3033.8376 EEL = -29996.8033 HBOND = 0.0000 1-4 VDW = 2009.4091 1-4 EEL = 19688.9463 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3345 -5.6633E+03 1.3698E+00 1.4409E+01 OXT 1934 BOND = 239.7300 ANGLE = 1318.9147 DIHED = 4088.5132 VDWAALS = -3033.8383 EEL = -29975.0145 HBOND = 0.0000 1-4 VDW = 2009.4091 1-4 EEL = 19688.9462 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3350 -5.6851E+03 1.3696E+00 1.4409E+01 OXT 1934 BOND = 239.7300 ANGLE = 1318.9147 DIHED = 4088.5132 VDWAALS = -3033.8377 EEL = -29996.8033 HBOND = 0.0000 1-4 VDW = 2009.4091 1-4 EEL = 19688.9462 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3355 -5.6361E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7207 ANGLE = 1318.8010 DIHED = 4088.4859 VDWAALS = -3034.2124 EEL = -29946.9554 HBOND = 0.0000 1-4 VDW = 2009.2200 1-4 EEL = 19688.7964 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3360 -5.6657E+03 1.3693E+00 1.4408E+01 OXT 1934 BOND = 239.7253 ANGLE = 1318.8573 DIHED = 4088.4994 VDWAALS = -3034.0261 EEL = -29976.9265 HBOND = 0.0000 1-4 VDW = 2009.3137 1-4 EEL = 19688.8706 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3365 -5.6896E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7299 ANGLE = 1318.9133 DIHED = 4088.5128 VDWAALS = -3033.8409 EEL = -30001.3100 HBOND = 0.0000 1-4 VDW = 2009.4068 1-4 EEL = 19688.9445 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3370 -5.6896E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7299 ANGLE = 1318.9133 DIHED = 4088.5128 VDWAALS = -3033.8409 EEL = -30001.3100 HBOND = 0.0000 1-4 VDW = 2009.4068 1-4 EEL = 19688.9445 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3375 -5.6896E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7299 ANGLE = 1318.9133 DIHED = 4088.5128 VDWAALS = -3033.8410 EEL = -30001.3100 HBOND = 0.0000 1-4 VDW = 2009.4068 1-4 EEL = 19688.9444 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3380 -5.6489E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7209 ANGLE = 1318.7992 DIHED = 4088.4855 VDWAALS = -3034.2178 EEL = -29959.7208 HBOND = 0.0000 1-4 VDW = 2009.2170 1-4 EEL = 19688.7939 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3385 -5.7044E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7297 ANGLE = 1318.9108 DIHED = 4088.5122 VDWAALS = -3033.8486 EEL = -30016.0714 HBOND = 0.0000 1-4 VDW = 2009.4026 1-4 EEL = 19688.9411 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3390 -5.7044E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7297 ANGLE = 1318.9107 DIHED = 4088.5122 VDWAALS = -3033.8489 EEL = -30016.0715 HBOND = 0.0000 1-4 VDW = 2009.4025 1-4 EEL = 19688.9410 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3395 -5.6712E+03 1.3698E+00 1.4409E+01 OXT 1934 BOND = 239.7296 ANGLE = 1318.9090 DIHED = 4088.5118 VDWAALS = -3033.8557 EEL = -29982.8083 HBOND = 0.0000 1-4 VDW = 2009.3996 1-4 EEL = 19688.9387 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3400 -5.6826E+03 1.3698E+00 1.4409E+01 OXT 1934 BOND = 239.7297 ANGLE = 1318.9101 DIHED = 4088.5120 VDWAALS = -3033.8516 EEL = -29994.2835 HBOND = 0.0000 1-4 VDW = 2009.4014 1-4 EEL = 19688.9402 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3405 -5.6234E+03 1.3689E+00 1.4406E+01 OXT 1934 BOND = 239.7205 ANGLE = 1318.7966 DIHED = 4088.4846 VDWAALS = -3034.2291 EEL = -29934.1346 HBOND = 0.0000 1-4 VDW = 2009.2120 1-4 EEL = 19688.7902 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3410 -5.6947E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7296 ANGLE = 1318.9095 DIHED = 4088.5119 VDWAALS = -3033.8534 EEL = -30006.3369 HBOND = 0.0000 1-4 VDW = 2009.4005 1-4 EEL = 19688.9395 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3415 -5.6947E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7296 ANGLE = 1318.9095 DIHED = 4088.5119 VDWAALS = -3033.8534 EEL = -30006.3369 HBOND = 0.0000 1-4 VDW = 2009.4005 1-4 EEL = 19688.9395 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3420 -5.6947E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7296 ANGLE = 1318.9095 DIHED = 4088.5119 VDWAALS = -3033.8535 EEL = -30006.3369 HBOND = 0.0000 1-4 VDW = 2009.4005 1-4 EEL = 19688.9395 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3425 -5.6947E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7296 ANGLE = 1318.9095 DIHED = 4088.5119 VDWAALS = -3033.8535 EEL = -30006.3369 HBOND = 0.0000 1-4 VDW = 2009.4005 1-4 EEL = 19688.9395 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3430 -5.6426E+03 1.3689E+00 1.4406E+01 OXT 1934 BOND = 239.7205 ANGLE = 1318.7955 DIHED = 4088.4844 VDWAALS = -3034.2305 EEL = -29953.3829 HBOND = 0.0000 1-4 VDW = 2009.2107 1-4 EEL = 19688.7889 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3435 -5.6819E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7295 ANGLE = 1318.9083 DIHED = 4088.5116 VDWAALS = -3033.8581 EEL = -29993.5117 HBOND = 0.0000 1-4 VDW = 2009.3985 1-4 EEL = 19688.9379 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3440 -5.6819E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7295 ANGLE = 1318.9082 DIHED = 4088.5116 VDWAALS = -3033.8586 EEL = -29993.5119 HBOND = 0.0000 1-4 VDW = 2009.3982 1-4 EEL = 19688.9377 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3445 -5.6819E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7295 ANGLE = 1318.9081 DIHED = 4088.5116 VDWAALS = -3033.8587 EEL = -29993.5119 HBOND = 0.0000 1-4 VDW = 2009.3982 1-4 EEL = 19688.9376 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3450 -5.6819E+03 1.3697E+00 1.4409E+01 OXT 1934 BOND = 239.7295 ANGLE = 1318.9081 DIHED = 4088.5116 VDWAALS = -3033.8587 EEL = -29993.5119 HBOND = 0.0000 1-4 VDW = 2009.3982 1-4 EEL = 19688.9376 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3455 -5.6574E+03 1.3689E+00 1.4406E+01 OXT 1934 BOND = 239.7202 ANGLE = 1318.7947 DIHED = 4088.4843 VDWAALS = -3034.2327 EEL = -29968.1758 HBOND = 0.0000 1-4 VDW = 2009.2091 1-4 EEL = 19688.7881 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3460 -5.6690E+03 1.3698E+00 1.4409E+01 OXT 1934 BOND = 239.7289 ANGLE = 1318.9012 DIHED = 4088.5099 VDWAALS = -3033.8815 EEL = -29980.5580 HBOND = 0.0000 1-4 VDW = 2009.3867 1-4 EEL = 19688.9285 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3465 -5.6690E+03 1.3698E+00 1.4409E+01 OXT 1934 BOND = 239.7289 ANGLE = 1318.9012 DIHED = 4088.5099 VDWAALS = -3033.8815 EEL = -29980.5580 HBOND = 0.0000 1-4 VDW = 2009.3867 1-4 EEL = 19688.9285 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3470 -5.6690E+03 1.3698E+00 1.4409E+01 OXT 1934 BOND = 239.7289 ANGLE = 1318.9012 DIHED = 4088.5099 VDWAALS = -3033.8815 EEL = -29980.5580 HBOND = 0.0000 1-4 VDW = 2009.3866 1-4 EEL = 19688.9285 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3475 -5.6690E+03 1.3698E+00 1.4409E+01 OXT 1934 BOND = 239.7289 ANGLE = 1318.9012 DIHED = 4088.5099 VDWAALS = -3033.8815 EEL = -29980.5580 HBOND = 0.0000 1-4 VDW = 2009.3866 1-4 EEL = 19688.9285 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3480 -5.6476E+03 1.3689E+00 1.4406E+01 OXT 1934 BOND = 239.7199 ANGLE = 1318.7866 DIHED = 4088.4823 VDWAALS = -3034.2598 EEL = -29958.3429 HBOND = 0.0000 1-4 VDW = 2009.1959 1-4 EEL = 19688.7771 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3485 -5.6853E+03 1.3692E+00 1.4408E+01 OXT 1934 BOND = 239.7241 ANGLE = 1318.8404 DIHED = 4088.4953 VDWAALS = -3034.0805 EEL = -29996.3872 HBOND = 0.0000 1-4 VDW = 2009.2856 1-4 EEL = 19688.8483 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3490 -5.6738E+03 1.3692E+00 1.4407E+01 OXT 1934 BOND = 239.7236 ANGLE = 1318.8336 DIHED = 4088.4937 VDWAALS = -3034.1030 EEL = -29984.8158 HBOND = 0.0000 1-4 VDW = 2009.2742 1-4 EEL = 19688.8393 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3495 -5.6845E+03 1.3692E+00 1.4407E+01 OXT 1934 BOND = 239.7238 ANGLE = 1318.8362 DIHED = 4088.4943 VDWAALS = -3034.0947 EEL = -29995.6024 HBOND = 0.0000 1-4 VDW = 2009.2784 1-4 EEL = 19688.8426 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3500 -5.6853E+03 1.3692E+00 1.4407E+01 OXT 1934 BOND = 239.7239 ANGLE = 1318.8370 DIHED = 4088.4945 VDWAALS = -3034.0920 EEL = -29996.3914 HBOND = 0.0000 1-4 VDW = 2009.2798 1-4 EEL = 19688.8437 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3505 -5.6536E+03 1.3683E+00 1.4405E+01 OXT 1934 BOND = 239.7154 ANGLE = 1318.7226 DIHED = 4088.4672 VDWAALS = -3034.4744 EEL = -29963.8348 HBOND = 0.0000 1-4 VDW = 2009.0883 1-4 EEL = 19688.6933 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3510 -5.7063E+03 1.3690E+00 1.4407E+01 OXT 1934 BOND = 239.7237 ANGLE = 1318.8343 DIHED = 4088.4938 VDWAALS = -3034.1003 EEL = -30017.3935 HBOND = 0.0000 1-4 VDW = 2009.2753 1-4 EEL = 19688.8402 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3515 -5.6944E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7231 ANGLE = 1318.8273 DIHED = 4088.4922 VDWAALS = -3034.1240 EEL = -30005.3736 HBOND = 0.0000 1-4 VDW = 2009.2637 1-4 EEL = 19688.8310 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3520 -5.7118E+03 1.3690E+00 1.4407E+01 OXT 1934 BOND = 239.7234 ANGLE = 1318.8308 DIHED = 4088.4930 VDWAALS = -3034.1112 EEL = -30022.8763 HBOND = 0.0000 1-4 VDW = 2009.2695 1-4 EEL = 19688.8356 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3525 -5.7118E+03 1.3690E+00 1.4407E+01 OXT 1934 BOND = 239.7234 ANGLE = 1318.8304 DIHED = 4088.4929 VDWAALS = -3034.1126 EEL = -30022.8769 HBOND = 0.0000 1-4 VDW = 2009.2688 1-4 EEL = 19688.8350 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3530 -5.6279E+03 1.3684E+00 1.4405E+01 OXT 1934 BOND = 239.7142 ANGLE = 1318.7170 DIHED = 4088.4656 VDWAALS = -3034.4949 EEL = -29938.0169 HBOND = 0.0000 1-4 VDW = 2009.0785 1-4 EEL = 19688.6856 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3535 -5.7041E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7233 ANGLE = 1318.8290 DIHED = 4088.4925 VDWAALS = -3034.1180 EEL = -30015.1076 HBOND = 0.0000 1-4 VDW = 2009.2664 1-4 EEL = 19688.8332 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3540 -5.7041E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7233 ANGLE = 1318.8290 DIHED = 4088.4925 VDWAALS = -3034.1180 EEL = -30015.1076 HBOND = 0.0000 1-4 VDW = 2009.2664 1-4 EEL = 19688.8332 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3545 -5.7041E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7233 ANGLE = 1318.8290 DIHED = 4088.4925 VDWAALS = -3034.1180 EEL = -30015.1076 HBOND = 0.0000 1-4 VDW = 2009.2664 1-4 EEL = 19688.8332 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3550 -5.7041E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7233 ANGLE = 1318.8290 DIHED = 4088.4925 VDWAALS = -3034.1180 EEL = -30015.1076 HBOND = 0.0000 1-4 VDW = 2009.2664 1-4 EEL = 19688.8331 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3555 -5.6376E+03 1.3685E+00 1.4404E+01 OXT 1934 BOND = 239.7142 ANGLE = 1318.7157 DIHED = 4088.4652 VDWAALS = -3034.4987 EEL = -29947.7545 HBOND = 0.0000 1-4 VDW = 2009.0762 1-4 EEL = 19688.6838 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3560 -5.7021E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7231 ANGLE = 1318.8273 DIHED = 4088.4922 VDWAALS = -3034.1234 EEL = -30013.1446 HBOND = 0.0000 1-4 VDW = 2009.2637 1-4 EEL = 19688.8310 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3565 -5.7021E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7231 ANGLE = 1318.8273 DIHED = 4088.4921 VDWAALS = -3034.1235 EEL = -30013.1447 HBOND = 0.0000 1-4 VDW = 2009.2636 1-4 EEL = 19688.8310 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3570 -5.6956E+03 1.3690E+00 1.4407E+01 OXT 1934 BOND = 239.7229 ANGLE = 1318.8247 DIHED = 4088.4915 VDWAALS = -3034.1322 EEL = -30006.6158 HBOND = 0.0000 1-4 VDW = 2009.2592 1-4 EEL = 19688.8275 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3575 -5.7119E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7229 ANGLE = 1318.8250 DIHED = 4088.4916 VDWAALS = -3034.1304 EEL = -30022.8835 HBOND = 0.0000 1-4 VDW = 2009.2598 1-4 EEL = 19688.8280 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3580 -5.6407E+03 1.3685E+00 1.4404E+01 OXT 1934 BOND = 239.7138 ANGLE = 1318.7119 DIHED = 4088.4642 VDWAALS = -3034.5119 EEL = -29950.8274 HBOND = 0.0000 1-4 VDW = 2009.0696 1-4 EEL = 19688.6783 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3585 -5.7041E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7228 ANGLE = 1318.8234 DIHED = 4088.4912 VDWAALS = -3034.1366 EEL = -30015.1145 HBOND = 0.0000 1-4 VDW = 2009.2570 1-4 EEL = 19688.8258 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3590 -5.6860E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7222 ANGLE = 1318.8163 DIHED = 4088.4895 VDWAALS = -3034.1608 EEL = -29996.9332 HBOND = 0.0000 1-4 VDW = 2009.2452 1-4 EEL = 19688.8165 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3595 -5.7042E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7224 ANGLE = 1318.8189 DIHED = 4088.4901 VDWAALS = -3034.1513 EEL = -30015.1200 HBOND = 0.0000 1-4 VDW = 2009.2496 1-4 EEL = 19688.8199 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3600 -5.7042E+03 1.3689E+00 1.4407E+01 OXT 1934 BOND = 239.7224 ANGLE = 1318.8188 DIHED = 4088.4901 VDWAALS = -3034.1519 EEL = -30015.1202 HBOND = 0.0000 1-4 VDW = 2009.2492 1-4 EEL = 19688.8197 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3605 -5.6316E+03 1.3685E+00 1.4404E+01 OXT 1934 BOND = 239.7134 ANGLE = 1318.7055 DIHED = 4088.4627 VDWAALS = -3034.5322 EEL = -29941.6458 HBOND = 0.0000 1-4 VDW = 2009.0589 1-4 EEL = 19688.6702 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3610 -5.7052E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7223 ANGLE = 1318.8177 DIHED = 4088.4898 VDWAALS = -3034.1556 EEL = -30016.0946 HBOND = 0.0000 1-4 VDW = 2009.2475 1-4 EEL = 19688.8183 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3615 -5.7052E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7223 ANGLE = 1318.8176 DIHED = 4088.4898 VDWAALS = -3034.1560 EEL = -30016.0947 HBOND = 0.0000 1-4 VDW = 2009.2473 1-4 EEL = 19688.8181 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3620 -5.7052E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7223 ANGLE = 1318.8176 DIHED = 4088.4898 VDWAALS = -3034.1560 EEL = -30016.0947 HBOND = 0.0000 1-4 VDW = 2009.2473 1-4 EEL = 19688.8181 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3625 -5.7052E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7223 ANGLE = 1318.8176 DIHED = 4088.4898 VDWAALS = -3034.1560 EEL = -30016.0947 HBOND = 0.0000 1-4 VDW = 2009.2473 1-4 EEL = 19688.8181 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3630 -5.6404E+03 1.3685E+00 1.4404E+01 OXT 1934 BOND = 239.7132 ANGLE = 1318.7049 DIHED = 4088.4625 VDWAALS = -3034.5339 EEL = -29950.4337 HBOND = 0.0000 1-4 VDW = 2009.0579 1-4 EEL = 19688.6692 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3635 -5.6925E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7223 ANGLE = 1318.8171 DIHED = 4088.4897 VDWAALS = -3034.1582 EEL = -30003.4644 HBOND = 0.0000 1-4 VDW = 2009.2465 1-4 EEL = 19688.8175 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3640 -5.7032E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7223 ANGLE = 1318.8172 DIHED = 4088.4897 VDWAALS = -3034.1573 EEL = -30014.1733 HBOND = 0.0000 1-4 VDW = 2009.2467 1-4 EEL = 19688.8176 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3645 -5.7032E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7223 ANGLE = 1318.8172 DIHED = 4088.4897 VDWAALS = -3034.1574 EEL = -30014.1733 HBOND = 0.0000 1-4 VDW = 2009.2466 1-4 EEL = 19688.8176 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3650 -5.7032E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7223 ANGLE = 1318.8172 DIHED = 4088.4897 VDWAALS = -3034.1574 EEL = -30014.1733 HBOND = 0.0000 1-4 VDW = 2009.2466 1-4 EEL = 19688.8176 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3655 -5.6326E+03 1.3685E+00 1.4404E+01 OXT 1934 BOND = 239.7131 ANGLE = 1318.7042 DIHED = 4088.4624 VDWAALS = -3034.5368 EEL = -29942.6205 HBOND = 0.0000 1-4 VDW = 2009.0567 1-4 EEL = 19688.6683 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3660 -5.7023E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7223 ANGLE = 1318.8165 DIHED = 4088.4895 VDWAALS = -3034.1595 EEL = -30013.2011 HBOND = 0.0000 1-4 VDW = 2009.2455 1-4 EEL = 19688.8167 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3665 -5.7023E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7223 ANGLE = 1318.8165 DIHED = 4088.4895 VDWAALS = -3034.1595 EEL = -30013.2011 HBOND = 0.0000 1-4 VDW = 2009.2455 1-4 EEL = 19688.8167 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3670 -5.7023E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7223 ANGLE = 1318.8165 DIHED = 4088.4895 VDWAALS = -3034.1595 EEL = -30013.2011 HBOND = 0.0000 1-4 VDW = 2009.2455 1-4 EEL = 19688.8167 RESTRAINT = 0.0000 .... RESTARTED DUE TO LINMIN FAILURE ... NSTEP ENERGY RMS GMAX NAME NUMBER 3675 -5.6925E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7222 ANGLE = 1318.8160 DIHED = 4088.4894 VDWAALS = -3034.1618 EEL = -30003.4657 HBOND = 0.0000 1-4 VDW = 2009.2447 1-4 EEL = 19688.8161 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3680 -5.6945E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7222 ANGLE = 1318.8154 DIHED = 4088.4893 VDWAALS = -3034.1639 EEL = -30005.3884 HBOND = 0.0000 1-4 VDW = 2009.2436 1-4 EEL = 19688.8152 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3685 -5.7052E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7222 ANGLE = 1318.8154 DIHED = 4088.4893 VDWAALS = -3034.1633 EEL = -30016.0974 HBOND = 0.0000 1-4 VDW = 2009.2436 1-4 EEL = 19688.8152 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3690 -5.7052E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7222 ANGLE = 1318.8154 DIHED = 4088.4893 VDWAALS = -3034.1633 EEL = -30016.0974 HBOND = 0.0000 1-4 VDW = 2009.2436 1-4 EEL = 19688.8152 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3695 -5.7052E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7222 ANGLE = 1318.8154 DIHED = 4088.4893 VDWAALS = -3034.1633 EEL = -30016.0974 HBOND = 0.0000 1-4 VDW = 2009.2436 1-4 EEL = 19688.8152 RESTRAINT = 0.0000 .... RESTARTED DUE TO LINMIN FAILURE ... NSTEP ENERGY RMS GMAX NAME NUMBER 3700 -5.6925E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7221 ANGLE = 1318.8148 DIHED = 4088.4891 VDWAALS = -3034.1659 EEL = -30003.4672 HBOND = 0.0000 1-4 VDW = 2009.2426 1-4 EEL = 19688.8145 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3705 -5.6693E+03 1.3685E+00 1.4406E+01 OXT 1934 BOND = 239.7176 ANGLE = 1318.7583 DIHED = 4088.4754 VDWAALS = -3034.3556 EEL = -29979.7976 HBOND = 0.0000 1-4 VDW = 2009.1476 1-4 EEL = 19688.7398 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3710 -5.6691E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7209 ANGLE = 1318.8000 DIHED = 4088.4855 VDWAALS = -3034.2163 EEL = -29979.8657 HBOND = 0.0000 1-4 VDW = 2009.2177 1-4 EEL = 19688.7949 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3715 -5.7042E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7220 ANGLE = 1318.8138 DIHED = 4088.4889 VDWAALS = -3034.1683 EEL = -30015.1263 HBOND = 0.0000 1-4 VDW = 2009.2410 1-4 EEL = 19688.8132 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3720 -5.7042E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7220 ANGLE = 1318.8138 DIHED = 4088.4889 VDWAALS = -3034.1686 EEL = -30015.1264 HBOND = 0.0000 1-4 VDW = 2009.2409 1-4 EEL = 19688.8131 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3725 -5.7042E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7220 ANGLE = 1318.8136 DIHED = 4088.4888 VDWAALS = -3034.1692 EEL = -30015.1266 HBOND = 0.0000 1-4 VDW = 2009.2405 1-4 EEL = 19688.8128 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3730 -5.6325E+03 1.3684E+00 1.4404E+01 OXT 1934 BOND = 239.7132 ANGLE = 1318.7003 DIHED = 4088.4616 VDWAALS = -3034.5479 EEL = -29942.5685 HBOND = 0.0000 1-4 VDW = 2009.0507 1-4 EEL = 19688.6635 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3735 -5.6918E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7220 ANGLE = 1318.8130 DIHED = 4088.4887 VDWAALS = -3034.1719 EEL = -30002.7020 HBOND = 0.0000 1-4 VDW = 2009.2396 1-4 EEL = 19688.8121 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3740 -5.6918E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7220 ANGLE = 1318.8130 DIHED = 4088.4887 VDWAALS = -3034.1720 EEL = -30002.7020 HBOND = 0.0000 1-4 VDW = 2009.2396 1-4 EEL = 19688.8121 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3745 -5.6811E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7220 ANGLE = 1318.8130 DIHED = 4088.4887 VDWAALS = -3034.1726 EEL = -29991.9930 HBOND = 0.0000 1-4 VDW = 2009.2395 1-4 EEL = 19688.8120 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3750 -5.6918E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7220 ANGLE = 1318.8130 DIHED = 4088.4887 VDWAALS = -3034.1720 EEL = -30002.7020 HBOND = 0.0000 1-4 VDW = 2009.2395 1-4 EEL = 19688.8120 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3755 -5.6432E+03 1.3684E+00 1.4404E+01 OXT 1934 BOND = 239.7130 ANGLE = 1318.6998 DIHED = 4088.4614 VDWAALS = -3034.5493 EEL = -29953.2782 HBOND = 0.0000 1-4 VDW = 2009.0498 1-4 EEL = 19688.6625 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3760 -5.6668E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7219 ANGLE = 1318.8119 DIHED = 4088.4884 VDWAALS = -3034.1768 EEL = -29977.6481 HBOND = 0.0000 1-4 VDW = 2009.2377 1-4 EEL = 19688.8106 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3765 -5.6668E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7219 ANGLE = 1318.8119 DIHED = 4088.4884 VDWAALS = -3034.1766 EEL = -29977.6480 HBOND = 0.0000 1-4 VDW = 2009.2378 1-4 EEL = 19688.8107 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3770 -5.6830E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7219 ANGLE = 1318.8119 DIHED = 4088.4884 VDWAALS = -3034.1759 EEL = -29993.9161 HBOND = 0.0000 1-4 VDW = 2009.2378 1-4 EEL = 19688.8107 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3775 -5.6830E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7219 ANGLE = 1318.8119 DIHED = 4088.4884 VDWAALS = -3034.1759 EEL = -29993.9161 HBOND = 0.0000 1-4 VDW = 2009.2378 1-4 EEL = 19688.8107 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3780 -5.6325E+03 1.3684E+00 1.4404E+01 OXT 1934 BOND = 239.7130 ANGLE = 1318.6985 DIHED = 4088.4611 VDWAALS = -3034.5541 EEL = -29942.5707 HBOND = 0.0000 1-4 VDW = 2009.0476 1-4 EEL = 19688.6611 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3785 -5.6811E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7218 ANGLE = 1318.8111 DIHED = 4088.4882 VDWAALS = -3034.1787 EEL = -29991.9953 HBOND = 0.0000 1-4 VDW = 2009.2365 1-4 EEL = 19688.8096 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3790 -5.6811E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7218 ANGLE = 1318.8111 DIHED = 4088.4882 VDWAALS = -3034.1786 EEL = -29991.9953 HBOND = 0.0000 1-4 VDW = 2009.2365 1-4 EEL = 19688.8096 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3795 -5.6918E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7218 ANGLE = 1318.8112 DIHED = 4088.4882 VDWAALS = -3034.1780 EEL = -30002.7043 HBOND = 0.0000 1-4 VDW = 2009.2365 1-4 EEL = 19688.8097 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3800 -5.6811E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7218 ANGLE = 1318.8112 DIHED = 4088.4882 VDWAALS = -3034.1786 EEL = -29991.9953 HBOND = 0.0000 1-4 VDW = 2009.2365 1-4 EEL = 19688.8096 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3805 -5.6540E+03 1.3684E+00 1.4404E+01 OXT 1934 BOND = 239.7128 ANGLE = 1318.6976 DIHED = 4088.4609 VDWAALS = -3034.5562 EEL = -29963.9900 HBOND = 0.0000 1-4 VDW = 2009.0462 1-4 EEL = 19688.6596 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3810 -5.7035E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7216 ANGLE = 1318.8079 DIHED = 4088.4874 VDWAALS = -3034.1882 EEL = -30014.3662 HBOND = 0.0000 1-4 VDW = 2009.2310 1-4 EEL = 19688.8053 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3815 -5.6912E+03 1.3688E+00 1.4407E+01 OXT 1934 BOND = 239.7210 ANGLE = 1318.8010 DIHED = 4088.4858 VDWAALS = -3034.2118 EEL = -30002.0500 HBOND = 0.0000 1-4 VDW = 2009.2194 1-4 EEL = 19688.7962 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3820 -5.7233E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7213 ANGLE = 1318.8044 DIHED = 4088.4866 VDWAALS = -3034.1992 EEL = -30034.1349 HBOND = 0.0000 1-4 VDW = 2009.2251 1-4 EEL = 19688.8007 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3825 -5.7233E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7213 ANGLE = 1318.8043 DIHED = 4088.4866 VDWAALS = -3034.1994 EEL = -30034.1349 HBOND = 0.0000 1-4 VDW = 2009.2250 1-4 EEL = 19688.8006 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3830 -5.6220E+03 1.3684E+00 1.4404E+01 OXT 1934 BOND = 239.7124 ANGLE = 1318.6909 DIHED = 4088.4591 VDWAALS = -3034.5794 EEL = -29931.9996 HBOND = 0.0000 1-4 VDW = 2009.0349 1-4 EEL = 19688.6508 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3835 -5.6520E+03 1.3686E+00 1.4406E+01 OXT 1934 BOND = 239.7190 ANGLE = 1318.7750 DIHED = 4088.4795 VDWAALS = -3034.3001 EEL = -29962.5632 HBOND = 0.0000 1-4 VDW = 2009.1760 1-4 EEL = 19688.7620 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3840 -5.7118E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7212 ANGLE = 1318.8030 DIHED = 4088.4863 VDWAALS = -3034.2043 EEL = -30022.6600 HBOND = 0.0000 1-4 VDW = 2009.2228 1-4 EEL = 19688.7989 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3845 -5.7099E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7211 ANGLE = 1318.8027 DIHED = 4088.4862 VDWAALS = -3034.2055 EEL = -30020.7386 HBOND = 0.0000 1-4 VDW = 2009.2223 1-4 EEL = 19688.7985 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3850 -5.7118E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7212 ANGLE = 1318.8028 DIHED = 4088.4862 VDWAALS = -3034.2049 EEL = -30022.6602 HBOND = 0.0000 1-4 VDW = 2009.2226 1-4 EEL = 19688.7987 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3855 -5.6323E+03 1.3684E+00 1.4404E+01 OXT 1934 BOND = 239.7123 ANGLE = 1318.6895 DIHED = 4088.4589 VDWAALS = -3034.5839 EEL = -29942.2116 HBOND = 0.0000 1-4 VDW = 2009.0326 1-4 EEL = 19688.6492 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3860 -5.7002E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7211 ANGLE = 1318.8019 DIHED = 4088.4860 VDWAALS = -3034.2087 EEL = -30011.0035 HBOND = 0.0000 1-4 VDW = 2009.2210 1-4 EEL = 19688.7975 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3865 -5.6895E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7211 ANGLE = 1318.8017 DIHED = 4088.4860 VDWAALS = -3034.2098 EEL = -30000.2947 HBOND = 0.0000 1-4 VDW = 2009.2207 1-4 EEL = 19688.7972 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3870 -5.7002E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7211 ANGLE = 1318.8018 DIHED = 4088.4860 VDWAALS = -3034.2092 EEL = -30011.0037 HBOND = 0.0000 1-4 VDW = 2009.2208 1-4 EEL = 19688.7972 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3875 -5.7002E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7211 ANGLE = 1318.8018 DIHED = 4088.4860 VDWAALS = -3034.2092 EEL = -30011.0037 HBOND = 0.0000 1-4 VDW = 2009.2208 1-4 EEL = 19688.7972 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3880 -5.6347E+03 1.3684E+00 1.4404E+01 OXT 1934 BOND = 239.7121 ANGLE = 1318.6886 DIHED = 4088.4585 VDWAALS = -3034.5867 EEL = -29944.6334 HBOND = 0.0000 1-4 VDW = 2009.0310 1-4 EEL = 19688.6474 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3885 -5.6673E+03 1.3686E+00 1.4407E+01 OXT 1934 BOND = 239.7210 ANGLE = 1318.8011 DIHED = 4088.4858 VDWAALS = -3034.2126 EEL = -29978.1086 HBOND = 0.0000 1-4 VDW = 2009.2196 1-4 EEL = 19688.7963 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3890 -5.6895E+03 1.3686E+00 1.4407E+01 OXT 1934 BOND = 239.7210 ANGLE = 1318.8012 DIHED = 4088.4858 VDWAALS = -3034.2117 EEL = -30000.2954 HBOND = 0.0000 1-4 VDW = 2009.2198 1-4 EEL = 19688.7965 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3895 -5.6812E+03 1.3686E+00 1.4407E+01 OXT 1934 BOND = 239.7210 ANGLE = 1318.8012 DIHED = 4088.4858 VDWAALS = -3034.2118 EEL = -29992.0076 HBOND = 0.0000 1-4 VDW = 2009.2198 1-4 EEL = 19688.7965 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3900 -5.6812E+03 1.3686E+00 1.4407E+01 OXT 1934 BOND = 239.7210 ANGLE = 1318.8012 DIHED = 4088.4858 VDWAALS = -3034.2118 EEL = -29992.0076 HBOND = 0.0000 1-4 VDW = 2009.2198 1-4 EEL = 19688.7965 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3905 -5.6505E+03 1.3684E+00 1.4404E+01 OXT 1934 BOND = 239.7122 ANGLE = 1318.6886 DIHED = 4088.4582 VDWAALS = -3034.5893 EEL = -29960.4548 HBOND = 0.0000 1-4 VDW = 2009.0298 1-4 EEL = 19688.6466 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3910 -5.7036E+03 1.3687E+00 1.4407E+01 OXT 1934 BOND = 239.7209 ANGLE = 1318.7989 DIHED = 4088.4853 VDWAALS = -3034.2180 EEL = -30014.3772 HBOND = 0.0000 1-4 VDW = 2009.2159 1-4 EEL = 19688.7935 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3915 -5.6989E+03 1.3687E+00 1.4406E+01 OXT 1934 BOND = 239.7203 ANGLE = 1318.7920 DIHED = 4088.4836 VDWAALS = -3034.2414 EEL = -30009.5942 HBOND = 0.0000 1-4 VDW = 2009.2042 1-4 EEL = 19688.7842 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3920 -5.7151E+03 1.3687E+00 1.4406E+01 OXT 1934 BOND = 239.7206 ANGLE = 1318.7954 DIHED = 4088.4844 VDWAALS = -3034.2293 EEL = -30025.8581 HBOND = 0.0000 1-4 VDW = 2009.2100 1-4 EEL = 19688.7888 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3925 -5.7151E+03 1.3687E+00 1.4406E+01 OXT 1934 BOND = 239.7206 ANGLE = 1318.7953 DIHED = 4088.4844 VDWAALS = -3034.2294 EEL = -30025.8582 HBOND = 0.0000 1-4 VDW = 2009.2099 1-4 EEL = 19688.7887 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3930 -5.6304E+03 1.3683E+00 1.4404E+01 OXT 1934 BOND = 239.7117 ANGLE = 1318.6819 DIHED = 4088.4571 VDWAALS = -3034.6093 EEL = -29940.2990 HBOND = 0.0000 1-4 VDW = 2009.0198 1-4 EEL = 19688.6391 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3935 -5.6939E+03 1.3686E+00 1.4406E+01 OXT 1934 BOND = 239.7205 ANGLE = 1318.7939 DIHED = 4088.4841 VDWAALS = -3034.2353 EEL = -30004.6474 HBOND = 0.0000 1-4 VDW = 2009.2076 1-4 EEL = 19688.7869 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3940 -5.6752E+03 1.3686E+00 1.4406E+01 OXT 1934 BOND = 239.7202 ANGLE = 1318.7904 DIHED = 4088.4832 VDWAALS = -3034.2475 EEL = -29985.9359 HBOND = 0.0000 1-4 VDW = 2009.2017 1-4 EEL = 19688.7822 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3945 -5.7017E+03 1.3686E+00 1.4406E+01 OXT 1934 BOND = 239.7204 ANGLE = 1318.7934 DIHED = 4088.4839 VDWAALS = -3034.2366 EEL = -30012.4622 HBOND = 0.0000 1-4 VDW = 2009.2067 1-4 EEL = 19688.7861 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3950 -5.6910E+03 1.3686E+00 1.4406E+01 OXT 1934 BOND = 239.7204 ANGLE = 1318.7930 DIHED = 4088.4838 VDWAALS = -3034.2384 EEL = -30001.7536 HBOND = 0.0000 1-4 VDW = 2009.2060 1-4 EEL = 19688.7857 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3955 -5.6542E+03 1.3684E+00 1.4404E+01 OXT 1934 BOND = 239.7116 ANGLE = 1318.6808 DIHED = 4088.4565 VDWAALS = -3034.6154 EEL = -29964.0914 HBOND = 0.0000 1-4 VDW = 2009.0166 1-4 EEL = 19688.6365 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3960 -5.7037E+03 1.3686E+00 1.4406E+01 OXT 1934 BOND = 239.7202 ANGLE = 1318.7901 DIHED = 4088.4831 VDWAALS = -3034.2474 EEL = -30014.3881 HBOND = 0.0000 1-4 VDW = 2009.2012 1-4 EEL = 19688.7818 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3965 -5.7037E+03 1.3686E+00 1.4406E+01 OXT 1934 BOND = 239.7202 ANGLE = 1318.7901 DIHED = 4088.4831 VDWAALS = -3034.2475 EEL = -30014.3882 HBOND = 0.0000 1-4 VDW = 2009.2011 1-4 EEL = 19688.7818 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3970 -5.7037E+03 1.3686E+00 1.4406E+01 OXT 1934 BOND = 239.7201 ANGLE = 1318.7899 DIHED = 4088.4831 VDWAALS = -3034.2481 EEL = -30014.3884 HBOND = 0.0000 1-4 VDW = 2009.2008 1-4 EEL = 19688.7815 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3975 -5.7037E+03 1.3686E+00 1.4406E+01 OXT 1934 BOND = 239.7201 ANGLE = 1318.7899 DIHED = 4088.4831 VDWAALS = -3034.2481 EEL = -30014.3884 HBOND = 0.0000 1-4 VDW = 2009.2008 1-4 EEL = 19688.7815 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3980 -5.6194E+03 1.3683E+00 1.4404E+01 OXT 1934 BOND = 239.7113 ANGLE = 1318.6767 DIHED = 4088.4557 VDWAALS = -3034.6270 EEL = -29929.2776 HBOND = 0.0000 1-4 VDW = 2009.0109 1-4 EEL = 19688.6318 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3985 -5.6925E+03 1.3686E+00 1.4406E+01 OXT 1934 BOND = 239.7201 ANGLE = 1318.7893 DIHED = 4088.4829 VDWAALS = -3034.2516 EEL = -30003.1801 HBOND = 0.0000 1-4 VDW = 2009.1998 1-4 EEL = 19688.7807 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3990 -5.7003E+03 1.3686E+00 1.4406E+01 OXT 1934 BOND = 239.7201 ANGLE = 1318.7893 DIHED = 4088.4829 VDWAALS = -3034.2509 EEL = -30011.0191 HBOND = 0.0000 1-4 VDW = 2009.1998 1-4 EEL = 19688.7807 RESTRAINT = 0.0000 .... RESTARTED DUE TO LINMIN FAILURE ... NSTEP ENERGY RMS GMAX NAME NUMBER 3995 -5.7003E+03 1.3686E+00 1.4406E+01 OXT 1934 BOND = 239.7201 ANGLE = 1318.7893 DIHED = 4088.4829 VDWAALS = -3034.2509 EEL = -30011.0191 HBOND = 0.0000 1-4 VDW = 2009.1998 1-4 EEL = 19688.7807 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4000 -5.6277E+03 1.3683E+00 1.4404E+01 OXT 1934 BOND = 239.7112 ANGLE = 1318.6760 DIHED = 4088.4557 VDWAALS = -3034.6291 EEL = -29937.5668 HBOND = 0.0000 1-4 VDW = 2009.0098 1-4 EEL = 19688.6312 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4005 -5.5753E+03 1.3674E+00 1.4401E+01 OXT 1934 BOND = 239.7032 ANGLE = 1318.5615 DIHED = 4088.4281 VDWAALS = -3035.0126 EEL = -29884.3119 HBOND = 0.0000 1-4 VDW = 2008.8172 1-4 EEL = 19688.4788 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4010 -5.6537E+03 1.3677E+00 1.4402E+01 OXT 1934 BOND = 239.7071 ANGLE = 1318.6167 DIHED = 4088.4414 VDWAALS = -3034.8255 EEL = -29963.0532 HBOND = 0.0000 1-4 VDW = 2008.9101 1-4 EEL = 19688.5523 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4015 -5.6509E+03 1.3677E+00 1.4402E+01 OXT 1934 BOND = 239.7069 ANGLE = 1318.6132 DIHED = 4088.4405 VDWAALS = -3034.8371 EEL = -29960.3050 HBOND = 0.0000 1-4 VDW = 2008.9043 1-4 EEL = 19688.5477 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4020 -5.6537E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7069 ANGLE = 1318.6134 DIHED = 4088.4406 VDWAALS = -3034.8364 EEL = -29963.0572 HBOND = 0.0000 1-4 VDW = 2008.9046 1-4 EEL = 19688.5480 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4025 -5.6537E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7069 ANGLE = 1318.6133 DIHED = 4088.4406 VDWAALS = -3034.8369 EEL = -29963.0574 HBOND = 0.0000 1-4 VDW = 2008.9043 1-4 EEL = 19688.5478 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4030 -5.6132E+03 1.3672E+00 1.4400E+01 OXT 1934 BOND = 239.6982 ANGLE = 1318.4993 DIHED = 4088.4126 VDWAALS = -3035.2189 EEL = -29921.6910 HBOND = 0.0000 1-4 VDW = 2008.7124 1-4 EEL = 19688.3961 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4035 -5.6672E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7067 ANGLE = 1318.6112 DIHED = 4088.4400 VDWAALS = -3034.8431 EEL = -29976.5756 HBOND = 0.0000 1-4 VDW = 2008.9009 1-4 EEL = 19688.5450 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4040 -5.6672E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7067 ANGLE = 1318.6111 DIHED = 4088.4400 VDWAALS = -3034.8436 EEL = -29976.5758 HBOND = 0.0000 1-4 VDW = 2008.9006 1-4 EEL = 19688.5448 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4045 -5.6672E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7067 ANGLE = 1318.6110 DIHED = 4088.4400 VDWAALS = -3034.8437 EEL = -29976.5758 HBOND = 0.0000 1-4 VDW = 2008.9006 1-4 EEL = 19688.5448 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4050 -5.6672E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7067 ANGLE = 1318.6110 DIHED = 4088.4400 VDWAALS = -3034.8437 EEL = -29976.5758 HBOND = 0.0000 1-4 VDW = 2008.9006 1-4 EEL = 19688.5448 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4055 -5.6132E+03 1.3672E+00 1.4400E+01 OXT 1934 BOND = 239.6981 ANGLE = 1318.4983 DIHED = 4088.4124 VDWAALS = -3035.2223 EEL = -29921.6923 HBOND = 0.0000 1-4 VDW = 2008.7107 1-4 EEL = 19688.3947 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4060 -5.6517E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7066 ANGLE = 1318.6103 DIHED = 4088.4398 VDWAALS = -3034.8467 EEL = -29961.0920 HBOND = 0.0000 1-4 VDW = 2008.8994 1-4 EEL = 19688.5438 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4065 -5.6565E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7066 ANGLE = 1318.6105 DIHED = 4088.4399 VDWAALS = -3034.8461 EEL = -29965.8675 HBOND = 0.0000 1-4 VDW = 2008.8996 1-4 EEL = 19688.5440 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4070 -5.6672E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7066 ANGLE = 1318.6104 DIHED = 4088.4399 VDWAALS = -3034.8457 EEL = -29976.5766 HBOND = 0.0000 1-4 VDW = 2008.8996 1-4 EEL = 19688.5440 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4075 -5.6672E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7066 ANGLE = 1318.6104 DIHED = 4088.4399 VDWAALS = -3034.8457 EEL = -29976.5766 HBOND = 0.0000 1-4 VDW = 2008.8996 1-4 EEL = 19688.5440 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4080 -5.6180E+03 1.3672E+00 1.4399E+01 OXT 1934 BOND = 239.6979 ANGLE = 1318.4974 DIHED = 4088.4121 VDWAALS = -3035.2244 EEL = -29926.4688 HBOND = 0.0000 1-4 VDW = 2008.7090 1-4 EEL = 19688.3934 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4085 -5.6565E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7065 ANGLE = 1318.6089 DIHED = 4088.4395 VDWAALS = -3034.8515 EEL = -29965.8695 HBOND = 0.0000 1-4 VDW = 2008.8969 1-4 EEL = 19688.5419 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4090 -5.6565E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7065 ANGLE = 1318.6088 DIHED = 4088.4395 VDWAALS = -3034.8517 EEL = -29965.8695 HBOND = 0.0000 1-4 VDW = 2008.8968 1-4 EEL = 19688.5418 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4095 -5.6565E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7065 ANGLE = 1318.6088 DIHED = 4088.4395 VDWAALS = -3034.8517 EEL = -29965.8696 HBOND = 0.0000 1-4 VDW = 2008.8968 1-4 EEL = 19688.5418 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4100 -5.6547E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7065 ANGLE = 1318.6088 DIHED = 4088.4395 VDWAALS = -3034.8516 EEL = -29964.0601 HBOND = 0.0000 1-4 VDW = 2008.8968 1-4 EEL = 19688.5418 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4105 -5.6287E+03 1.3671E+00 1.4399E+01 OXT 1934 BOND = 239.6978 ANGLE = 1318.4961 DIHED = 4088.4118 VDWAALS = -3035.2293 EEL = -29937.1354 HBOND = 0.0000 1-4 VDW = 2008.7068 1-4 EEL = 19688.3917 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4110 -5.6226E+03 1.3677E+00 1.4402E+01 OXT 1934 BOND = 239.7064 ANGLE = 1318.6079 DIHED = 4088.4392 VDWAALS = -3034.8557 EEL = -29931.9652 HBOND = 0.0000 1-4 VDW = 2008.8953 1-4 EEL = 19688.5406 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4115 -5.6544E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7065 ANGLE = 1318.6080 DIHED = 4088.4393 VDWAALS = -3034.8540 EEL = -29963.7179 HBOND = 0.0000 1-4 VDW = 2008.8956 1-4 EEL = 19688.5408 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4120 -5.6226E+03 1.3677E+00 1.4402E+01 OXT 1934 BOND = 239.7065 ANGLE = 1318.6080 DIHED = 4088.4393 VDWAALS = -3034.8554 EEL = -29931.9651 HBOND = 0.0000 1-4 VDW = 2008.8955 1-4 EEL = 19688.5408 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4125 -5.6544E+03 1.3676E+00 1.4402E+01 OXT 1934 BOND = 239.7065 ANGLE = 1318.6080 DIHED = 4088.4393 VDWAALS = -3034.8541 EEL = -29963.7179 HBOND = 0.0000 1-4 VDW = 2008.8955 1-4 EEL = 19688.5408 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4130 -5.6441E+03 1.3671E+00 1.4399E+01 OXT 1934 BOND = 239.6976 ANGLE = 1318.4955 DIHED = 4088.4117 VDWAALS = -3035.2299 EEL = -29952.6207 HBOND = 0.0000 1-4 VDW = 2008.7058 1-4 EEL = 19688.3909 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4135 -5.6442E+03 1.3671E+00 1.4399E+01 OXT 1934 BOND = 239.6975 ANGLE = 1318.4934 DIHED = 4088.4111 VDWAALS = -3035.2371 EEL = -29952.6233 HBOND = 0.0000 1-4 VDW = 2008.7021 1-4 EEL = 19688.3880 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4140 -5.6440E+03 1.3671E+00 1.4399E+01 OXT 1934 BOND = 239.6974 ANGLE = 1318.4928 DIHED = 4088.4110 VDWAALS = -3035.2393 EEL = -29952.4641 HBOND = 0.0000 1-4 VDW = 2008.7010 1-4 EEL = 19688.3872 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4145 -5.6442E+03 1.3671E+00 1.4399E+01 OXT 1934 BOND = 239.6974 ANGLE = 1318.4928 DIHED = 4088.4110 VDWAALS = -3035.2390 EEL = -29952.6240 HBOND = 0.0000 1-4 VDW = 2008.7012 1-4 EEL = 19688.3873 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4150 -5.6440E+03 1.3671E+00 1.4399E+01 OXT 1934 BOND = 239.6974 ANGLE = 1318.4928 DIHED = 4088.4110 VDWAALS = -3035.2391 EEL = -29952.4640 HBOND = 0.0000 1-4 VDW = 2008.7011 1-4 EEL = 19688.3873 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4155 -5.6669E+03 1.3664E+00 1.4397E+01 OXT 1934 BOND = 239.6879 ANGLE = 1318.3794 DIHED = 4088.3831 VDWAALS = -3035.6198 EEL = -29974.5084 HBOND = 0.0000 1-4 VDW = 2008.5088 1-4 EEL = 19688.2362 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4160 -5.7494E+03 1.3561E+00 1.4370E+01 OXT 1934 BOND = 239.5651 ANGLE = 1316.8503 DIHED = 4088.0080 VDWAALS = -3040.8296 EEL = -30045.0126 HBOND = 0.0000 1-4 VDW = 2005.8845 1-4 EEL = 19686.1723 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4165 -5.7886E+03 1.3381E+00 1.3807E+01 OXT 1934 BOND = 239.3607 ANGLE = 1313.8586 DIHED = 4087.2790 VDWAALS = -3051.2989 EEL = -30060.3358 HBOND = 0.0000 1-4 VDW = 2000.5736 1-4 EEL = 19681.9840 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4170 -5.7889E+03 1.3381E+00 1.3807E+01 OXT 1934 BOND = 239.3609 ANGLE = 1313.8617 DIHED = 4087.2797 VDWAALS = -3051.2881 EEL = -30060.6611 HBOND = 0.0000 1-4 VDW = 2000.5791 1-4 EEL = 19681.9884 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4175 -5.7886E+03 1.3381E+00 1.3807E+01 OXT 1934 BOND = 239.3609 ANGLE = 1313.8616 DIHED = 4087.2797 VDWAALS = -3051.2885 EEL = -30060.3320 HBOND = 0.0000 1-4 VDW = 2000.5789 1-4 EEL = 19681.9882 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4180 -5.7610E+03 1.3362E+00 1.3793E+01 OXT 1934 BOND = 239.3522 ANGLE = 1313.6893 DIHED = 4087.2373 VDWAALS = -3051.8836 EEL = -30031.3949 HBOND = 0.0000 1-4 VDW = 2000.2737 1-4 EEL = 19681.7452 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4185 -5.7949E+03 1.3371E+00 1.3799E+01 OXT 1934 BOND = 239.3561 ANGLE = 1313.7684 DIHED = 4087.2568 VDWAALS = -3051.6096 EEL = -30065.9087 HBOND = 0.0000 1-4 VDW = 2000.4140 1-4 EEL = 19681.8569 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4190 -5.7960E+03 1.3371E+00 1.3799E+01 OXT 1934 BOND = 239.3559 ANGLE = 1313.7651 DIHED = 4087.2559 VDWAALS = -3051.6201 EEL = -30067.0168 HBOND = 0.0000 1-4 VDW = 2000.4082 1-4 EEL = 19681.8522 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4195 -5.7960E+03 1.3371E+00 1.3799E+01 OXT 1934 BOND = 239.3559 ANGLE = 1313.7651 DIHED = 4087.2559 VDWAALS = -3051.6202 EEL = -30067.0169 HBOND = 0.0000 1-4 VDW = 2000.4081 1-4 EEL = 19681.8522 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4200 -5.7960E+03 1.3371E+00 1.3799E+01 OXT 1934 BOND = 239.3559 ANGLE = 1313.7651 DIHED = 4087.2559 VDWAALS = -3051.6202 EEL = -30067.0169 HBOND = 0.0000 1-4 VDW = 2000.4081 1-4 EEL = 19681.8522 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4205 -5.7864E+03 1.3358E+00 1.3790E+01 OXT 1934 BOND = 239.3504 ANGLE = 1313.6563 DIHED = 4087.2292 VDWAALS = -3051.9959 EEL = -30056.5938 HBOND = 0.0000 1-4 VDW = 2000.2157 1-4 EEL = 19681.6988 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4210 -5.7871E+03 1.3371E+00 1.3799E+01 OXT 1934 BOND = 239.3558 ANGLE = 1313.7632 DIHED = 4087.2555 VDWAALS = -3051.6267 EEL = -30058.1381 HBOND = 0.0000 1-4 VDW = 2000.4047 1-4 EEL = 19681.8495 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4215 -5.7871E+03 1.3371E+00 1.3799E+01 OXT 1934 BOND = 239.3559 ANGLE = 1313.7638 DIHED = 4087.2556 VDWAALS = -3051.6247 EEL = -30058.1372 HBOND = 0.0000 1-4 VDW = 2000.4058 1-4 EEL = 19681.8504 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4220 -5.7960E+03 1.3371E+00 1.3799E+01 OXT 1934 BOND = 239.3559 ANGLE = 1313.7638 DIHED = 4087.2556 VDWAALS = -3051.6245 EEL = -30067.0186 HBOND = 0.0000 1-4 VDW = 2000.4059 1-4 EEL = 19681.8504 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4225 -5.7960E+03 1.3371E+00 1.3799E+01 OXT 1934 BOND = 239.3559 ANGLE = 1313.7638 DIHED = 4087.2556 VDWAALS = -3051.6245 EEL = -30067.0186 HBOND = 0.0000 1-4 VDW = 2000.4059 1-4 EEL = 19681.8504 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4230 -5.7953E+03 1.3358E+00 1.3790E+01 OXT 1934 BOND = 239.3503 ANGLE = 1313.6556 DIHED = 4087.2289 VDWAALS = -3051.9984 EEL = -30065.4756 HBOND = 0.0000 1-4 VDW = 2000.2144 1-4 EEL = 19681.6974 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4235 -5.7953E+03 1.3358E+00 1.3790E+01 OXT 1934 BOND = 239.3502 ANGLE = 1313.6537 DIHED = 4087.2284 VDWAALS = -3052.0050 EEL = -30065.4781 HBOND = 0.0000 1-4 VDW = 2000.2110 1-4 EEL = 19681.6947 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4240 -5.7953E+03 1.3358E+00 1.3790E+01 OXT 1934 BOND = 239.3502 ANGLE = 1313.6536 DIHED = 4087.2284 VDWAALS = -3052.0054 EEL = -30065.4783 HBOND = 0.0000 1-4 VDW = 2000.2108 1-4 EEL = 19681.6946 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4245 -5.7953E+03 1.3358E+00 1.3790E+01 OXT 1934 BOND = 239.3502 ANGLE = 1313.6535 DIHED = 4087.2284 VDWAALS = -3052.0055 EEL = -30065.4784 HBOND = 0.0000 1-4 VDW = 2000.2108 1-4 EEL = 19681.6945 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4250 -5.7948E+03 1.3358E+00 1.3790E+01 OXT 1934 BOND = 239.3502 ANGLE = 1313.6535 DIHED = 4087.2284 VDWAALS = -3052.0054 EEL = -30064.9221 HBOND = 0.0000 1-4 VDW = 2000.2108 1-4 EEL = 19681.6945 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4255 -5.7604E+03 1.3350E+00 1.3782E+01 OXT 1934 BOND = 239.3446 ANGLE = 1313.5431 DIHED = 4087.2007 VDWAALS = -3052.3910 EEL = -30029.6286 HBOND = 0.0000 1-4 VDW = 2000.0136 1-4 EEL = 19681.5371 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4260 -5.7947E+03 1.3354E+00 1.3787E+01 OXT 1934 BOND = 239.3479 ANGLE = 1313.6089 DIHED = 4087.2172 VDWAALS = -3052.1610 EEL = -30064.4713 HBOND = 0.0000 1-4 VDW = 2000.1312 1-4 EEL = 19681.6310 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4265 -5.7858E+03 1.3353E+00 1.3787E+01 OXT 1934 BOND = 239.3479 ANGLE = 1313.6086 DIHED = 4087.2171 VDWAALS = -3052.1623 EEL = -30055.5903 HBOND = 0.0000 1-4 VDW = 2000.1305 1-4 EEL = 19681.6305 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4270 -5.7947E+03 1.3354E+00 1.3787E+01 OXT 1934 BOND = 239.3479 ANGLE = 1313.6089 DIHED = 4087.2172 VDWAALS = -3052.1610 EEL = -30064.4713 HBOND = 0.0000 1-4 VDW = 2000.1312 1-4 EEL = 19681.6310 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4275 -5.7947E+03 1.3354E+00 1.3787E+01 OXT 1934 BOND = 239.3479 ANGLE = 1313.6088 DIHED = 4087.2172 VDWAALS = -3052.1614 EEL = -30064.4714 HBOND = 0.0000 1-4 VDW = 2000.1310 1-4 EEL = 19681.6308 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4280 -5.7774E+03 1.3347E+00 1.3779E+01 OXT 1934 BOND = 239.3424 ANGLE = 1313.5009 DIHED = 4087.1900 VDWAALS = -3052.5380 EEL = -30046.3489 HBOND = 0.0000 1-4 VDW = 1999.9383 1-4 EEL = 19681.4768 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4285 -5.7949E+03 1.3352E+00 1.3785E+01 OXT 1934 BOND = 239.3469 ANGLE = 1313.5892 DIHED = 4087.2122 VDWAALS = -3052.2299 EEL = -30064.4985 HBOND = 0.0000 1-4 VDW = 2000.0959 1-4 EEL = 19681.6028 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4290 -5.8015E+03 1.3350E+00 1.3785E+01 OXT 1934 BOND = 239.3464 ANGLE = 1313.5797 DIHED = 4087.2099 VDWAALS = -3052.2636 EEL = -30071.0470 HBOND = 0.0000 1-4 VDW = 2000.0790 1-4 EEL = 19681.5893 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4295 -5.8015E+03 1.3350E+00 1.3785E+01 OXT 1934 BOND = 239.3465 ANGLE = 1313.5809 DIHED = 4087.2102 VDWAALS = -3052.2595 EEL = -30071.0454 HBOND = 0.0000 1-4 VDW = 2000.0811 1-4 EEL = 19681.5910 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4300 -5.8062E+03 1.3350E+00 1.3785E+01 OXT 1934 BOND = 239.3465 ANGLE = 1313.5811 DIHED = 4087.2102 VDWAALS = -3052.2581 EEL = -30075.7053 HBOND = 0.0000 1-4 VDW = 2000.0815 1-4 EEL = 19681.5913 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4305 -5.7745E+03 1.3345E+00 1.3777E+01 OXT 1934 BOND = 239.3411 ANGLE = 1313.4733 DIHED = 4087.1832 VDWAALS = -3052.6324 EEL = -30043.1945 HBOND = 0.0000 1-4 VDW = 1999.8891 1-4 EEL = 19681.4376 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4310 -5.8015E+03 1.3350E+00 1.3784E+01 OXT 1934 BOND = 239.3464 ANGLE = 1313.5788 DIHED = 4087.2096 VDWAALS = -3052.2668 EEL = -30071.0483 HBOND = 0.0000 1-4 VDW = 2000.0774 1-4 EEL = 19681.5880 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4315 -5.7909E+03 1.3354E+00 1.3784E+01 OXT 1934 BOND = 239.3462 ANGLE = 1313.5755 DIHED = 4087.2088 VDWAALS = -3052.2770 EEL = -30060.4207 HBOND = 0.0000 1-4 VDW = 2000.0715 1-4 EEL = 19681.5833 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4320 -5.8015E+03 1.3350E+00 1.3784E+01 OXT 1934 BOND = 239.3464 ANGLE = 1313.5787 DIHED = 4087.2096 VDWAALS = -3052.2669 EEL = -30071.0483 HBOND = 0.0000 1-4 VDW = 2000.0773 1-4 EEL = 19681.5880 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4325 -5.7852E+03 1.3354E+00 1.3784E+01 OXT 1934 BOND = 239.3463 ANGLE = 1313.5783 DIHED = 4087.2095 VDWAALS = -3052.2679 EEL = -30054.7284 HBOND = 0.0000 1-4 VDW = 2000.0765 1-4 EEL = 19681.5873 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4330 -5.7745E+03 1.3344E+00 1.3777E+01 OXT 1934 BOND = 239.3413 ANGLE = 1313.4715 DIHED = 4087.1828 VDWAALS = -3052.6400 EEL = -30043.1980 HBOND = 0.0000 1-4 VDW = 1999.8852 1-4 EEL = 19681.4341 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4335 -5.7660E+03 1.3351E+00 1.3782E+01 OXT 1934 BOND = 239.3449 ANGLE = 1313.5493 DIHED = 4087.2023 VDWAALS = -3052.3683 EEL = -30035.3082 HBOND = 0.0000 1-4 VDW = 2000.0247 1-4 EEL = 19681.5458 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4340 -5.7909E+03 1.3354E+00 1.3784E+01 OXT 1934 BOND = 239.3462 ANGLE = 1313.5751 DIHED = 4087.2087 VDWAALS = -3052.2783 EEL = -30060.4212 HBOND = 0.0000 1-4 VDW = 2000.0708 1-4 EEL = 19681.5828 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4345 -5.7909E+03 1.3354E+00 1.3784E+01 OXT 1934 BOND = 239.3460 ANGLE = 1313.5723 DIHED = 4087.2080 VDWAALS = -3052.2876 EEL = -30060.3435 HBOND = 0.0000 1-4 VDW = 2000.0657 1-4 EEL = 19681.5787 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4350 -5.7909E+03 1.3354E+00 1.3784E+01 OXT 1934 BOND = 239.3460 ANGLE = 1313.5723 DIHED = 4087.2080 VDWAALS = -3052.2879 EEL = -30060.4251 HBOND = 0.0000 1-4 VDW = 2000.0659 1-4 EEL = 19681.5788 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4355 -5.7689E+03 1.3344E+00 1.3776E+01 OXT 1934 BOND = 239.3412 ANGLE = 1313.4654 DIHED = 4087.1813 VDWAALS = -3052.6622 EEL = -30037.5182 HBOND = 0.0000 1-4 VDW = 1999.8741 1-4 EEL = 19681.4251 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4360 -5.7824E+03 1.3354E+00 1.3784E+01 OXT 1934 BOND = 239.3460 ANGLE = 1313.5713 DIHED = 4087.2078 VDWAALS = -3052.2911 EEL = -30051.8881 HBOND = 0.0000 1-4 VDW = 2000.0639 1-4 EEL = 19681.5772 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4365 -5.7824E+03 1.3354E+00 1.3784E+01 OXT 1934 BOND = 239.3460 ANGLE = 1313.5713 DIHED = 4087.2078 VDWAALS = -3052.2910 EEL = -30051.8881 HBOND = 0.0000 1-4 VDW = 2000.0640 1-4 EEL = 19681.5773 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4370 -5.7913E+03 1.3354E+00 1.3784E+01 OXT 1934 BOND = 239.3460 ANGLE = 1313.5713 DIHED = 4087.2078 VDWAALS = -3052.2908 EEL = -30060.7695 HBOND = 0.0000 1-4 VDW = 2000.0641 1-4 EEL = 19681.5773 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4375 -5.7913E+03 1.3354E+00 1.3784E+01 OXT 1934 BOND = 239.3460 ANGLE = 1313.5713 DIHED = 4087.2078 VDWAALS = -3052.2909 EEL = -30060.7695 HBOND = 0.0000 1-4 VDW = 2000.0640 1-4 EEL = 19681.5773 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4380 -5.7775E+03 1.3344E+00 1.3776E+01 OXT 1934 BOND = 239.3411 ANGLE = 1313.4644 DIHED = 4087.1809 VDWAALS = -3052.6649 EEL = -30046.1049 HBOND = 0.0000 1-4 VDW = 1999.8724 1-4 EEL = 19681.4235 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4385 -5.7693E+03 1.3350E+00 1.3782E+01 OXT 1934 BOND = 239.3446 ANGLE = 1313.5406 DIHED = 4087.2000 VDWAALS = -3052.3997 EEL = -30038.5133 HBOND = 0.0000 1-4 VDW = 2000.0089 1-4 EEL = 19681.5331 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4390 -5.7913E+03 1.3353E+00 1.3784E+01 OXT 1934 BOND = 239.3457 ANGLE = 1313.5658 DIHED = 4087.2064 VDWAALS = -3052.3101 EEL = -30060.7772 HBOND = 0.0000 1-4 VDW = 2000.0542 1-4 EEL = 19681.5694 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4395 -5.7914E+03 1.3353E+00 1.3784E+01 OXT 1934 BOND = 239.3457 ANGLE = 1313.5650 DIHED = 4087.2062 VDWAALS = -3052.3128 EEL = -30060.7752 HBOND = 0.0000 1-4 VDW = 2000.0527 1-4 EEL = 19681.5683 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4400 -5.7912E+03 1.3353E+00 1.3784E+01 OXT 1934 BOND = 239.3457 ANGLE = 1313.5649 DIHED = 4087.2062 VDWAALS = -3052.3131 EEL = -30060.6077 HBOND = 0.0000 1-4 VDW = 2000.0526 1-4 EEL = 19681.5681 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4405 -5.7729E+03 1.3343E+00 1.3776E+01 OXT 1934 BOND = 239.3407 ANGLE = 1313.4579 DIHED = 4087.1794 VDWAALS = -3052.6867 EEL = -30041.4984 HBOND = 0.0000 1-4 VDW = 1999.8608 1-4 EEL = 19681.4146 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4410 -5.7823E+03 1.3353E+00 1.3783E+01 OXT 1934 BOND = 239.3456 ANGLE = 1313.5626 DIHED = 4087.2056 VDWAALS = -3052.3211 EEL = -30051.7294 HBOND = 0.0000 1-4 VDW = 2000.0485 1-4 EEL = 19681.5648 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4415 -5.7912E+03 1.3353E+00 1.3783E+01 OXT 1934 BOND = 239.3456 ANGLE = 1313.5630 DIHED = 4087.2057 VDWAALS = -3052.3198 EEL = -30060.6104 HBOND = 0.0000 1-4 VDW = 2000.0491 1-4 EEL = 19681.5654 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4420 -5.7912E+03 1.3353E+00 1.3783E+01 OXT 1934 BOND = 239.3456 ANGLE = 1313.5629 DIHED = 4087.2057 VDWAALS = -3052.3202 EEL = -30060.6105 HBOND = 0.0000 1-4 VDW = 2000.0489 1-4 EEL = 19681.5652 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4425 -5.7912E+03 1.3353E+00 1.3783E+01 OXT 1934 BOND = 239.3456 ANGLE = 1313.5629 DIHED = 4087.2057 VDWAALS = -3052.3202 EEL = -30060.6105 HBOND = 0.0000 1-4 VDW = 2000.0489 1-4 EEL = 19681.5652 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4430 -5.7761E+03 1.3343E+00 1.3776E+01 OXT 1934 BOND = 239.3407 ANGLE = 1313.4560 DIHED = 4087.1788 VDWAALS = -3052.6943 EEL = -30044.6935 HBOND = 0.0000 1-4 VDW = 1999.8572 1-4 EEL = 19681.4113 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4435 -5.7633E+03 1.3350E+00 1.3781E+01 OXT 1934 BOND = 239.3442 ANGLE = 1313.5325 DIHED = 4087.1980 VDWAALS = -3052.4286 EEL = -30032.4827 HBOND = 0.0000 1-4 VDW = 1999.9944 1-4 EEL = 19681.5215 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4440 -5.7843E+03 1.3352E+00 1.3783E+01 OXT 1934 BOND = 239.3454 ANGLE = 1313.5577 DIHED = 4087.2043 VDWAALS = -3052.3392 EEL = -30053.6580 HBOND = 0.0000 1-4 VDW = 2000.0396 1-4 EEL = 19681.5577 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4445 -5.7843E+03 1.3352E+00 1.3783E+01 OXT 1934 BOND = 239.3453 ANGLE = 1313.5561 DIHED = 4087.2040 VDWAALS = -3052.3447 EEL = -30053.6602 HBOND = 0.0000 1-4 VDW = 2000.0368 1-4 EEL = 19681.5555 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4450 -5.7691E+03 1.3352E+00 1.3783E+01 OXT 1934 BOND = 239.3453 ANGLE = 1313.5556 DIHED = 4087.2038 VDWAALS = -3052.3472 EEL = -30038.4925 HBOND = 0.0000 1-4 VDW = 2000.0359 1-4 EEL = 19681.5547 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4455 -5.7926E+03 1.3343E+00 1.3775E+01 OXT 1934 BOND = 239.3405 ANGLE = 1313.4481 DIHED = 4087.1772 VDWAALS = -3052.7182 EEL = -30061.0506 HBOND = 0.0000 1-4 VDW = 1999.8446 1-4 EEL = 19681.4015 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4460 -5.7926E+03 1.3343E+00 1.3775E+01 OXT 1934 BOND = 239.3405 ANGLE = 1313.4478 DIHED = 4087.1771 VDWAALS = -3052.7194 EEL = -30061.0511 HBOND = 0.0000 1-4 VDW = 1999.8440 1-4 EEL = 19681.4010 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4465 -5.7926E+03 1.3343E+00 1.3775E+01 OXT 1934 BOND = 239.3405 ANGLE = 1313.4476 DIHED = 4087.1770 VDWAALS = -3052.7199 EEL = -30061.0513 HBOND = 0.0000 1-4 VDW = 1999.8437 1-4 EEL = 19681.4008 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4470 -5.7925E+03 1.3343E+00 1.3775E+01 OXT 1934 BOND = 239.3405 ANGLE = 1313.4476 DIHED = 4087.1770 VDWAALS = -3052.7200 EEL = -30061.0025 HBOND = 0.0000 1-4 VDW = 1999.8437 1-4 EEL = 19681.4008 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4475 -5.7925E+03 1.3343E+00 1.3775E+01 OXT 1934 BOND = 239.3405 ANGLE = 1313.4476 DIHED = 4087.1770 VDWAALS = -3052.7200 EEL = -30061.0025 HBOND = 0.0000 1-4 VDW = 1999.8437 1-4 EEL = 19681.4008 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4480 -5.7075E+03 1.3334E+00 1.3768E+01 OXT 1934 BOND = 239.3353 ANGLE = 1313.3365 DIHED = 4087.1493 VDWAALS = -3053.1114 EEL = -29975.0704 HBOND = 0.0000 1-4 VDW = 1999.6448 1-4 EEL = 19681.2410 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4485 -5.7926E+03 1.3343E+00 1.3775E+01 OXT 1934 BOND = 239.3403 ANGLE = 1313.4423 DIHED = 4087.1757 VDWAALS = -3052.7384 EEL = -30061.0098 HBOND = 0.0000 1-4 VDW = 1999.8343 1-4 EEL = 19681.3932 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4490 -5.7926E+03 1.3343E+00 1.3775E+01 OXT 1934 BOND = 239.3401 ANGLE = 1313.4390 DIHED = 4087.1749 VDWAALS = -3052.7500 EEL = -30061.0144 HBOND = 0.0000 1-4 VDW = 1999.8283 1-4 EEL = 19681.3884 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4495 -5.7927E+03 1.3342E+00 1.3775E+01 OXT 1934 BOND = 239.3400 ANGLE = 1313.4365 DIHED = 4087.1743 VDWAALS = -3052.7588 EEL = -30061.0794 HBOND = 0.0000 1-4 VDW = 1999.8238 1-4 EEL = 19681.3848 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4500 -5.7927E+03 1.3342E+00 1.3775E+01 OXT 1934 BOND = 239.3400 ANGLE = 1313.4365 DIHED = 4087.1743 VDWAALS = -3052.7588 EEL = -30061.0794 HBOND = 0.0000 1-4 VDW = 1999.8238 1-4 EEL = 19681.3848 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4505 -5.7227E+03 1.3334E+00 1.3768E+01 OXT 1934 BOND = 239.3352 ANGLE = 1313.3286 DIHED = 4087.1475 VDWAALS = -3053.1356 EEL = -29990.2483 HBOND = 0.0000 1-4 VDW = 1999.6320 1-4 EEL = 19681.2307 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4510 -5.7775E+03 1.3342E+00 1.3774E+01 OXT 1934 BOND = 239.3399 ANGLE = 1313.4348 DIHED = 4087.1738 VDWAALS = -3052.7653 EEL = -30045.9133 HBOND = 0.0000 1-4 VDW = 1999.8208 1-4 EEL = 19681.3824 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4515 -5.7703E+03 1.3341E+00 1.3773E+01 OXT 1934 BOND = 239.3392 ANGLE = 1313.4183 DIHED = 4087.1697 VDWAALS = -3052.8225 EEL = -30038.5812 HBOND = 0.0000 1-4 VDW = 1999.7915 1-4 EEL = 19681.3588 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4520 -5.7877E+03 1.3342E+00 1.3774E+01 OXT 1934 BOND = 239.3393 ANGLE = 1313.4216 DIHED = 4087.1705 VDWAALS = -3052.8105 EEL = -30055.9726 HBOND = 0.0000 1-4 VDW = 1999.7973 1-4 EEL = 19681.3635 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4525 -5.7877E+03 1.3342E+00 1.3774E+01 OXT 1934 BOND = 239.3393 ANGLE = 1313.4213 DIHED = 4087.1705 VDWAALS = -3052.8113 EEL = -30055.9729 HBOND = 0.0000 1-4 VDW = 1999.7969 1-4 EEL = 19681.3632 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4530 -5.6930E+03 1.3332E+00 1.3767E+01 OXT 1934 BOND = 239.3342 ANGLE = 1313.3142 DIHED = 4087.1437 VDWAALS = -3053.1893 EEL = -29960.4325 HBOND = 0.0000 1-4 VDW = 1999.6049 1-4 EEL = 19681.2088 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4535 -5.7877E+03 1.3342E+00 1.3773E+01 OXT 1934 BOND = 239.3393 ANGLE = 1313.4204 DIHED = 4087.1702 VDWAALS = -3052.8147 EEL = -30055.9742 HBOND = 0.0000 1-4 VDW = 1999.7951 1-4 EEL = 19681.3618 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4540 -5.7877E+03 1.3342E+00 1.3773E+01 OXT 1934 BOND = 239.3393 ANGLE = 1313.4204 DIHED = 4087.1702 VDWAALS = -3052.8147 EEL = -30055.9742 HBOND = 0.0000 1-4 VDW = 1999.7951 1-4 EEL = 19681.3618 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4545 -5.7702E+03 1.3342E+00 1.3773E+01 OXT 1934 BOND = 239.3393 ANGLE = 1313.4203 DIHED = 4087.1702 VDWAALS = -3052.8154 EEL = -30038.4320 HBOND = 0.0000 1-4 VDW = 1999.7951 1-4 EEL = 19681.3617 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4550 -5.7877E+03 1.3342E+00 1.3773E+01 OXT 1934 BOND = 239.3393 ANGLE = 1313.4203 DIHED = 4087.1702 VDWAALS = -3052.8147 EEL = -30055.9742 HBOND = 0.0000 1-4 VDW = 1999.7951 1-4 EEL = 19681.3618 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4555 -5.7257E+03 1.3333E+00 1.3767E+01 OXT 1934 BOND = 239.3338 ANGLE = 1313.3132 DIHED = 4087.1436 VDWAALS = -3053.1897 EEL = -29993.1436 HBOND = 0.0000 1-4 VDW = 1999.6039 1-4 EEL = 19681.2081 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4560 -5.7877E+03 1.3342E+00 1.3773E+01 OXT 1934 BOND = 239.3392 ANGLE = 1313.4187 DIHED = 4087.1698 VDWAALS = -3052.8203 EEL = -30055.9765 HBOND = 0.0000 1-4 VDW = 1999.7922 1-4 EEL = 19681.3595 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4565 -5.7879E+03 1.3341E+00 1.3773E+01 OXT 1934 BOND = 239.3388 ANGLE = 1313.4121 DIHED = 4087.1682 VDWAALS = -3052.8434 EEL = -30056.1321 HBOND = 0.0000 1-4 VDW = 1999.7804 1-4 EEL = 19681.3499 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4570 -5.7773E+03 1.3341E+00 1.3773E+01 OXT 1934 BOND = 239.3385 ANGLE = 1313.4059 DIHED = 4087.1666 VDWAALS = -3052.8655 EEL = -30045.4316 HBOND = 0.0000 1-4 VDW = 1999.7693 1-4 EEL = 19681.3411 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4575 -5.7880E+03 1.3341E+00 1.3773E+01 OXT 1934 BOND = 239.3385 ANGLE = 1313.4063 DIHED = 4087.1667 VDWAALS = -3052.8637 EEL = -30056.1401 HBOND = 0.0000 1-4 VDW = 1999.7700 1-4 EEL = 19681.3416 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4580 -5.6991E+03 1.3330E+00 1.3766E+01 OXT 1934 BOND = 239.3334 ANGLE = 1313.2994 DIHED = 4087.1399 VDWAALS = -3053.2422 EEL = -29966.3972 HBOND = 0.0000 1-4 VDW = 1999.5780 1-4 EEL = 19681.1872 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4585 -5.7880E+03 1.3341E+00 1.3772E+01 OXT 1934 BOND = 239.3385 ANGLE = 1313.4050 DIHED = 4087.1664 VDWAALS = -3052.8682 EEL = -30056.1419 HBOND = 0.0000 1-4 VDW = 1999.7677 1-4 EEL = 19681.3397 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4590 -5.7880E+03 1.3341E+00 1.3772E+01 OXT 1934 BOND = 239.3385 ANGLE = 1313.4049 DIHED = 4087.1664 VDWAALS = -3052.8685 EEL = -30056.1420 HBOND = 0.0000 1-4 VDW = 1999.7675 1-4 EEL = 19681.3396 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4595 -5.7880E+03 1.3341E+00 1.3772E+01 OXT 1934 BOND = 239.3385 ANGLE = 1313.4049 DIHED = 4087.1664 VDWAALS = -3052.8685 EEL = -30056.1420 HBOND = 0.0000 1-4 VDW = 1999.7675 1-4 EEL = 19681.3396 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4600 -5.7728E+03 1.3340E+00 1.3772E+01 OXT 1934 BOND = 239.3385 ANGLE = 1313.4049 DIHED = 4087.1664 VDWAALS = -3052.8691 EEL = -30040.9736 HBOND = 0.0000 1-4 VDW = 1999.7675 1-4 EEL = 19681.3396 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4605 -5.7027E+03 1.3331E+00 1.3766E+01 OXT 1934 BOND = 239.3336 ANGLE = 1313.2976 DIHED = 4087.1398 VDWAALS = -3053.2448 EEL = -29970.0043 HBOND = 0.0000 1-4 VDW = 1999.5766 1-4 EEL = 19681.1861 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4610 -5.7728E+03 1.3340E+00 1.3772E+01 OXT 1934 BOND = 239.3384 ANGLE = 1313.4045 DIHED = 4087.1663 VDWAALS = -3052.8704 EEL = -30040.9741 HBOND = 0.0000 1-4 VDW = 1999.7669 1-4 EEL = 19681.3391 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4615 -5.7728E+03 1.3340E+00 1.3772E+01 OXT 1934 BOND = 239.3384 ANGLE = 1313.4045 DIHED = 4087.1663 VDWAALS = -3052.8704 EEL = -30040.9741 HBOND = 0.0000 1-4 VDW = 1999.7669 1-4 EEL = 19681.3391 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4620 -5.7728E+03 1.3340E+00 1.3772E+01 OXT 1934 BOND = 239.3384 ANGLE = 1313.4045 DIHED = 4087.1663 VDWAALS = -3052.8704 EEL = -30040.9741 HBOND = 0.0000 1-4 VDW = 1999.7669 1-4 EEL = 19681.3391 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4625 -5.7728E+03 1.3340E+00 1.3772E+01 OXT 1934 BOND = 239.3384 ANGLE = 1313.4045 DIHED = 4087.1663 VDWAALS = -3052.8704 EEL = -30040.9741 HBOND = 0.0000 1-4 VDW = 1999.7669 1-4 EEL = 19681.3391 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4630 -5.7027E+03 1.3331E+00 1.3766E+01 OXT 1934 BOND = 239.3336 ANGLE = 1313.2968 DIHED = 4087.1396 VDWAALS = -3053.2473 EEL = -29970.0053 HBOND = 0.0000 1-4 VDW = 1999.5753 1-4 EEL = 19681.1850 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4635 -5.7773E+03 1.3341E+00 1.3772E+01 OXT 1934 BOND = 239.3384 ANGLE = 1313.4033 DIHED = 4087.1660 VDWAALS = -3052.8746 EEL = -30045.4352 HBOND = 0.0000 1-4 VDW = 1999.7647 1-4 EEL = 19681.3373 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4640 -5.7516E+03 1.3339E+00 1.3772E+01 OXT 1934 BOND = 239.3381 ANGLE = 1313.3966 DIHED = 4087.1643 VDWAALS = -3052.8997 EEL = -30019.6558 HBOND = 0.0000 1-4 VDW = 1999.7528 1-4 EEL = 19681.3277 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4645 -5.7773E+03 1.3341E+00 1.3772E+01 OXT 1934 BOND = 239.3384 ANGLE = 1313.4032 DIHED = 4087.1660 VDWAALS = -3052.8749 EEL = -30045.4353 HBOND = 0.0000 1-4 VDW = 1999.7645 1-4 EEL = 19681.3372 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4650 -5.7773E+03 1.3340E+00 1.3772E+01 OXT 1934 BOND = 239.3383 ANGLE = 1313.4019 DIHED = 4087.1656 VDWAALS = -3052.8795 EEL = -30045.4371 HBOND = 0.0000 1-4 VDW = 1999.7622 1-4 EEL = 19681.3353 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4655 -5.7388E+03 1.3332E+00 1.3765E+01 OXT 1934 BOND = 239.3329 ANGLE = 1313.2949 DIHED = 4087.1388 VDWAALS = -3053.2541 EEL = -30006.0311 HBOND = 0.0000 1-4 VDW = 1999.5709 1-4 EEL = 19681.1817 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4660 -5.7331E+03 1.3331E+00 1.3765E+01 OXT 1934 BOND = 239.3327 ANGLE = 1313.2901 DIHED = 4087.1376 VDWAALS = -3053.2717 EEL = -30000.3494 HBOND = 0.0000 1-4 VDW = 1999.5623 1-4 EEL = 19681.1747 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4665 -5.7388E+03 1.3331E+00 1.3765E+01 OXT 1934 BOND = 239.3328 ANGLE = 1313.2930 DIHED = 4087.1384 VDWAALS = -3053.2608 EEL = -30006.0337 HBOND = 0.0000 1-4 VDW = 1999.5675 1-4 EEL = 19681.1789 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4670 -5.7331E+03 1.3331E+00 1.3765E+01 OXT 1934 BOND = 239.3328 ANGLE = 1313.2926 DIHED = 4087.1383 VDWAALS = -3053.2628 EEL = -30000.3458 HBOND = 0.0000 1-4 VDW = 1999.5668 1-4 EEL = 19681.1784 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4675 -5.7331E+03 1.3331E+00 1.3765E+01 OXT 1934 BOND = 239.3328 ANGLE = 1313.2926 DIHED = 4087.1383 VDWAALS = -3053.2627 EEL = -30000.3458 HBOND = 0.0000 1-4 VDW = 1999.5669 1-4 EEL = 19681.1784 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4680 -5.7045E+03 1.3321E+00 1.3759E+01 OXT 1934 BOND = 239.3272 ANGLE = 1313.1855 DIHED = 4087.1109 VDWAALS = -3053.6385 EEL = -29970.9127 HBOND = 0.0000 1-4 VDW = 1999.3738 1-4 EEL = 19681.0241 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4685 -5.7189E+03 1.3328E+00 1.3764E+01 OXT 1934 BOND = 239.3313 ANGLE = 1313.2638 DIHED = 4087.1309 VDWAALS = -3053.3642 EEL = -29985.9548 HBOND = 0.0000 1-4 VDW = 1999.5148 1-4 EEL = 19681.1368 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4690 -5.7398E+03 1.3331E+00 1.3765E+01 OXT 1934 BOND = 239.3323 ANGLE = 1313.2830 DIHED = 4087.1358 VDWAALS = -3053.2951 EEL = -30006.9297 HBOND = 0.0000 1-4 VDW = 1999.5496 1-4 EEL = 19681.1646 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4695 -5.7398E+03 1.3331E+00 1.3765E+01 OXT 1934 BOND = 239.3322 ANGLE = 1313.2815 DIHED = 4087.1354 VDWAALS = -3053.3006 EEL = -30006.9320 HBOND = 0.0000 1-4 VDW = 1999.5467 1-4 EEL = 19681.1623 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4700 -5.7398E+03 1.3331E+00 1.3765E+01 OXT 1934 BOND = 239.3322 ANGLE = 1313.2815 DIHED = 4087.1354 VDWAALS = -3053.3007 EEL = -30006.9320 HBOND = 0.0000 1-4 VDW = 1999.5467 1-4 EEL = 19681.1623 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4705 -5.7229E+03 1.3319E+00 1.3758E+01 OXT 1934 BOND = 239.3271 ANGLE = 1313.1744 DIHED = 4087.1082 VDWAALS = -3053.6750 EEL = -29989.2220 HBOND = 0.0000 1-4 VDW = 1999.3550 1-4 EEL = 19681.0090 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4710 -5.7243E+03 1.3325E+00 1.3762E+01 OXT 1934 BOND = 239.3305 ANGLE = 1313.2450 DIHED = 4087.1261 VDWAALS = -3053.4295 EEL = -29991.1971 HBOND = 0.0000 1-4 VDW = 1999.4814 1-4 EEL = 19681.1101 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4715 -5.7418E+03 1.3327E+00 1.3763E+01 OXT 1934 BOND = 239.3310 ANGLE = 1313.2561 DIHED = 4087.1290 VDWAALS = -3053.3899 EEL = -30008.7239 HBOND = 0.0000 1-4 VDW = 1999.5013 1-4 EEL = 19681.1260 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4720 -5.7243E+03 1.3326E+00 1.3763E+01 OXT 1934 BOND = 239.3309 ANGLE = 1313.2537 DIHED = 4087.1284 VDWAALS = -3053.3991 EEL = -29991.1851 HBOND = 0.0000 1-4 VDW = 1999.4970 1-4 EEL = 19681.1226 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4725 -5.7418E+03 1.3327E+00 1.3763E+01 OXT 1934 BOND = 239.3309 ANGLE = 1313.2540 DIHED = 4087.1284 VDWAALS = -3053.3972 EEL = -30008.7269 HBOND = 0.0000 1-4 VDW = 1999.4976 1-4 EEL = 19681.1231 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4730 -5.7281E+03 1.3317E+00 1.3757E+01 OXT 1934 BOND = 239.3253 ANGLE = 1313.1476 DIHED = 4087.1011 VDWAALS = -3053.7702 EEL = -29994.2263 HBOND = 0.0000 1-4 VDW = 1999.3053 1-4 EEL = 19680.9692 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4735 -5.7418E+03 1.3327E+00 1.3763E+01 OXT 1934 BOND = 239.3308 ANGLE = 1313.2529 DIHED = 4087.1281 VDWAALS = -3053.4013 EEL = -30008.7285 HBOND = 0.0000 1-4 VDW = 1999.4955 1-4 EEL = 19681.1214 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4740 -5.7418E+03 1.3327E+00 1.3763E+01 OXT 1934 BOND = 239.3308 ANGLE = 1313.2529 DIHED = 4087.1281 VDWAALS = -3053.4013 EEL = -30008.7285 HBOND = 0.0000 1-4 VDW = 1999.4955 1-4 EEL = 19681.1214 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4745 -5.7243E+03 1.3326E+00 1.3763E+01 OXT 1934 BOND = 239.3308 ANGLE = 1313.2528 DIHED = 4087.1281 VDWAALS = -3053.4020 EEL = -29991.1862 HBOND = 0.0000 1-4 VDW = 1999.4955 1-4 EEL = 19681.1214 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4750 -5.7418E+03 1.3327E+00 1.3763E+01 OXT 1934 BOND = 239.3308 ANGLE = 1313.2528 DIHED = 4087.1281 VDWAALS = -3053.4014 EEL = -30008.7285 HBOND = 0.0000 1-4 VDW = 1999.4955 1-4 EEL = 19681.1214 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4755 -5.7457E+03 1.3317E+00 1.3757E+01 OXT 1934 BOND = 239.3247 ANGLE = 1313.1472 DIHED = 4087.1009 VDWAALS = -3053.7720 EEL = -30011.7697 HBOND = 0.0000 1-4 VDW = 1999.3040 1-4 EEL = 19680.9683 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4760 -5.7504E+03 1.3259E+00 1.3716E+01 OXT 1934 BOND = 239.2871 ANGLE = 1312.4341 DIHED = 4086.9175 VDWAALS = -3056.3037 EEL = -30010.7118 HBOND = 0.0000 1-4 VDW = 1998.0030 1-4 EEL = 19679.9282 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4765 -5.7514E+03 1.3307E+00 1.3750E+01 OXT 1934 BOND = 239.3184 ANGLE = 1313.0348 DIHED = 4087.0720 VDWAALS = -3054.1698 EEL = -30016.5114 HBOND = 0.0000 1-4 VDW = 1999.0999 1-4 EEL = 19680.8053 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4770 -5.7514E+03 1.3307E+00 1.3750E+01 OXT 1934 BOND = 239.3184 ANGLE = 1313.0348 DIHED = 4087.0720 VDWAALS = -3054.1698 EEL = -30016.5114 HBOND = 0.0000 1-4 VDW = 1999.0999 1-4 EEL = 19680.8052 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4775 -5.7514E+03 1.3307E+00 1.3750E+01 OXT 1934 BOND = 239.3184 ANGLE = 1313.0347 DIHED = 4087.0720 VDWAALS = -3054.1701 EEL = -30016.5114 HBOND = 0.0000 1-4 VDW = 1999.0998 1-4 EEL = 19680.8052 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4780 -5.7130E+03 1.3296E+00 1.3744E+01 OXT 1934 BOND = 239.3141 ANGLE = 1312.9239 DIHED = 4087.0438 VDWAALS = -3054.5580 EEL = -29977.2802 HBOND = 0.0000 1-4 VDW = 1998.9015 1-4 EEL = 19680.6466 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4785 -5.7415E+03 1.3307E+00 1.3750E+01 OXT 1934 BOND = 239.3182 ANGLE = 1313.0293 DIHED = 4087.0706 VDWAALS = -3054.1893 EEL = -30006.6241 HBOND = 0.0000 1-4 VDW = 1999.0902 1-4 EEL = 19680.7975 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4790 -5.7493E+03 1.3307E+00 1.3750E+01 OXT 1934 BOND = 239.3182 ANGLE = 1313.0294 DIHED = 4087.0706 VDWAALS = -3054.1884 EEL = -30014.3950 HBOND = 0.0000 1-4 VDW = 1999.0904 1-4 EEL = 19680.7976 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4795 -5.7493E+03 1.3307E+00 1.3750E+01 OXT 1934 BOND = 239.3182 ANGLE = 1313.0294 DIHED = 4087.0706 VDWAALS = -3054.1886 EEL = -30014.3951 HBOND = 0.0000 1-4 VDW = 1999.0903 1-4 EEL = 19680.7976 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4800 -5.7493E+03 1.3307E+00 1.3750E+01 OXT 1934 BOND = 239.3182 ANGLE = 1313.0294 DIHED = 4087.0706 VDWAALS = -3054.1886 EEL = -30014.3951 HBOND = 0.0000 1-4 VDW = 1999.0903 1-4 EEL = 19680.7976 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4805 -5.7268E+03 1.3296E+00 1.3744E+01 OXT 1934 BOND = 239.3140 ANGLE = 1312.9223 DIHED = 4087.0434 VDWAALS = -3054.5623 EEL = -29991.0952 HBOND = 0.0000 1-4 VDW = 1998.8987 1-4 EEL = 19680.6445 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4810 -5.7545E+03 1.3303E+00 1.3748E+01 OXT 1934 BOND = 239.3170 ANGLE = 1313.0005 DIHED = 4087.0633 VDWAALS = -3054.2879 EEL = -30019.3765 HBOND = 0.0000 1-4 VDW = 1999.0387 1-4 EEL = 19680.7563 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4815 -5.7377E+03 1.3301E+00 1.3747E+01 OXT 1934 BOND = 239.3162 ANGLE = 1312.9778 DIHED = 4087.0575 VDWAALS = -3054.3687 EEL = -30002.3739 HBOND = 0.0000 1-4 VDW = 1998.9980 1-4 EEL = 19680.7238 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4820 -5.7561E+03 1.3301E+00 1.3747E+01 OXT 1934 BOND = 239.3162 ANGLE = 1312.9798 DIHED = 4087.0580 VDWAALS = -3054.3605 EEL = -30020.8089 HBOND = 0.0000 1-4 VDW = 1999.0015 1-4 EEL = 19680.7266 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4825 -5.7561E+03 1.3301E+00 1.3747E+01 OXT 1934 BOND = 239.3162 ANGLE = 1312.9797 DIHED = 4087.0580 VDWAALS = -3054.3608 EEL = -30020.8091 HBOND = 0.0000 1-4 VDW = 1999.0013 1-4 EEL = 19680.7265 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4830 -5.7369E+03 1.3293E+00 1.3742E+01 OXT 1934 BOND = 239.3113 ANGLE = 1312.8720 DIHED = 4087.0300 VDWAALS = -3054.7399 EEL = -30000.7269 HBOND = 0.0000 1-4 VDW = 1998.8082 1-4 EEL = 19680.5721 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4835 -5.7377E+03 1.3301E+00 1.3747E+01 OXT 1934 BOND = 239.3161 ANGLE = 1312.9777 DIHED = 4087.0575 VDWAALS = -3054.3692 EEL = -30002.3741 HBOND = 0.0000 1-4 VDW = 1998.9978 1-4 EEL = 19680.7236 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4840 -5.7377E+03 1.3301E+00 1.3747E+01 OXT 1934 BOND = 239.3162 ANGLE = 1312.9780 DIHED = 4087.0575 VDWAALS = -3054.3680 EEL = -30002.3736 HBOND = 0.0000 1-4 VDW = 1998.9984 1-4 EEL = 19680.7241 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4845 -5.7504E+03 1.3301E+00 1.3747E+01 OXT 1934 BOND = 239.3162 ANGLE = 1312.9781 DIHED = 4087.0576 VDWAALS = -3054.3672 EEL = -30015.1229 HBOND = 0.0000 1-4 VDW = 1998.9985 1-4 EEL = 19680.7242 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4850 -5.7504E+03 1.3301E+00 1.3747E+01 OXT 1934 BOND = 239.3162 ANGLE = 1312.9780 DIHED = 4087.0575 VDWAALS = -3054.3673 EEL = -30015.1230 HBOND = 0.0000 1-4 VDW = 1998.9984 1-4 EEL = 19680.7242 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4855 -5.7496E+03 1.3293E+00 1.3742E+01 OXT 1934 BOND = 239.3113 ANGLE = 1312.8714 DIHED = 4087.0299 VDWAALS = -3054.7421 EEL = -30013.4781 HBOND = 0.0000 1-4 VDW = 1998.8067 1-4 EEL = 19680.5714 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4860 -5.7501E+03 1.3287E+00 1.3738E+01 OXT 1934 BOND = 239.3077 ANGLE = 1312.7916 DIHED = 4087.0091 VDWAALS = -3055.0217 EEL = -30013.3126 HBOND = 0.0000 1-4 VDW = 1998.6630 1-4 EEL = 19680.4570 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4865 -5.7587E+03 1.3259E+00 1.3722E+01 OXT 1934 BOND = 239.2932 ANGLE = 1312.4532 DIHED = 4086.9213 VDWAALS = -3056.2093 EEL = -30019.2073 HBOND = 0.0000 1-4 VDW = 1998.0516 1-4 EEL = 19679.9697 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4870 -5.7591E+03 1.3260E+00 1.3722E+01 OXT 1934 BOND = 239.2933 ANGLE = 1312.4550 DIHED = 4086.9217 VDWAALS = -3056.2024 EEL = -30019.5844 HBOND = 0.0000 1-4 VDW = 1998.0547 1-4 EEL = 19679.9722 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4875 -5.7587E+03 1.3259E+00 1.3722E+01 OXT 1934 BOND = 239.2933 ANGLE = 1312.4542 DIHED = 4086.9216 VDWAALS = -3056.2056 EEL = -30019.2058 HBOND = 0.0000 1-4 VDW = 1998.0535 1-4 EEL = 19679.9712 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4880 -5.7135E+03 1.3251E+00 1.3718E+01 OXT 1934 BOND = 239.2886 ANGLE = 1312.3281 DIHED = 4086.8891 VDWAALS = -3056.6418 EEL = -29972.9981 HBOND = 0.0000 1-4 VDW = 1997.8303 1-4 EEL = 19679.7925 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4885 -5.7595E+03 1.3253E+00 1.3720E+01 OXT 1934 BOND = 239.2905 ANGLE = 1312.3808 DIHED = 4086.9026 VDWAALS = -3056.4588 EEL = -30019.3887 HBOND = 0.0000 1-4 VDW = 1997.9235 1-4 EEL = 19679.8672 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4890 -5.7317E+03 1.3255E+00 1.3719E+01 OXT 1934 BOND = 239.2904 ANGLE = 1312.3775 DIHED = 4086.9018 VDWAALS = -3056.4714 EEL = -29991.5625 HBOND = 0.0000 1-4 VDW = 1997.9177 1-4 EEL = 19679.8625 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4895 -5.7595E+03 1.3253E+00 1.3719E+01 OXT 1934 BOND = 239.2904 ANGLE = 1312.3795 DIHED = 4086.9023 VDWAALS = -3056.4631 EEL = -30019.3904 HBOND = 0.0000 1-4 VDW = 1997.9213 1-4 EEL = 19679.8654 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4900 -5.7595E+03 1.3253E+00 1.3719E+01 OXT 1934 BOND = 239.2904 ANGLE = 1312.3791 DIHED = 4086.9022 VDWAALS = -3056.4645 EEL = -30019.3909 HBOND = 0.0000 1-4 VDW = 1997.9206 1-4 EEL = 19679.8649 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4905 -5.7009E+03 1.3249E+00 1.3716E+01 OXT 1934 BOND = 239.2856 ANGLE = 1312.2707 DIHED = 4086.8740 VDWAALS = -3056.8426 EEL = -29959.8873 HBOND = 0.0000 1-4 VDW = 1997.7276 1-4 EEL = 19679.7112 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4910 -5.7535E+03 1.3253E+00 1.3719E+01 OXT 1934 BOND = 239.2904 ANGLE = 1312.3775 DIHED = 4086.9018 VDWAALS = -3056.4709 EEL = -30013.3514 HBOND = 0.0000 1-4 VDW = 1997.9176 1-4 EEL = 19679.8625 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4915 -5.7535E+03 1.3253E+00 1.3719E+01 OXT 1934 BOND = 239.2904 ANGLE = 1312.3774 DIHED = 4086.9017 VDWAALS = -3056.4712 EEL = -30013.3515 HBOND = 0.0000 1-4 VDW = 1997.9175 1-4 EEL = 19679.8624 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4920 -5.7426E+03 1.3253E+00 1.3719E+01 OXT 1934 BOND = 239.2904 ANGLE = 1312.3774 DIHED = 4086.9017 VDWAALS = -3056.4720 EEL = -30002.4853 HBOND = 0.0000 1-4 VDW = 1997.9174 1-4 EEL = 19679.8624 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4925 -5.7535E+03 1.3253E+00 1.3719E+01 OXT 1934 BOND = 239.2904 ANGLE = 1312.3774 DIHED = 4086.9017 VDWAALS = -3056.4712 EEL = -30013.3515 HBOND = 0.0000 1-4 VDW = 1997.9174 1-4 EEL = 19679.8624 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4930 -5.7014E+03 1.3249E+00 1.3716E+01 OXT 1934 BOND = 239.2861 ANGLE = 1312.2697 DIHED = 4086.8738 VDWAALS = -3056.8450 EEL = -29960.3837 HBOND = 0.0000 1-4 VDW = 1997.7262 1-4 EEL = 19679.7094 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4935 -5.7595E+03 1.3253E+00 1.3719E+01 OXT 1934 BOND = 239.2903 ANGLE = 1312.3749 DIHED = 4086.9011 VDWAALS = -3056.4793 EEL = -30019.3968 HBOND = 0.0000 1-4 VDW = 1997.9130 1-4 EEL = 19679.8588 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4940 -5.7595E+03 1.3253E+00 1.3719E+01 OXT 1934 BOND = 239.2903 ANGLE = 1312.3749 DIHED = 4086.9011 VDWAALS = -3056.4794 EEL = -30019.3968 HBOND = 0.0000 1-4 VDW = 1997.9130 1-4 EEL = 19679.8588 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4945 -5.7378E+03 1.3254E+00 1.3719E+01 OXT 1934 BOND = 239.2902 ANGLE = 1312.3741 DIHED = 4086.9009 VDWAALS = -3056.4827 EEL = -29997.6091 HBOND = 0.0000 1-4 VDW = 1997.9115 1-4 EEL = 19679.8577 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4950 -5.7595E+03 1.3253E+00 1.3719E+01 OXT 1934 BOND = 239.2902 ANGLE = 1312.3741 DIHED = 4086.9009 VDWAALS = -3056.4818 EEL = -30019.3978 HBOND = 0.0000 1-4 VDW = 1997.9117 1-4 EEL = 19679.8578 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4955 -5.7014E+03 1.3248E+00 1.3716E+01 OXT 1934 BOND = 239.2859 ANGLE = 1312.2664 DIHED = 4086.8729 VDWAALS = -3056.8563 EEL = -29960.4304 HBOND = 0.0000 1-4 VDW = 1997.7204 1-4 EEL = 19679.7047 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4960 -5.7410E+03 1.3252E+00 1.3718E+01 OXT 1934 BOND = 239.2891 ANGLE = 1312.3461 DIHED = 4086.8936 VDWAALS = -3056.5784 EEL = -30000.6548 HBOND = 0.0000 1-4 VDW = 1997.8619 1-4 EEL = 19679.8179 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4965 -5.7596E+03 1.3253E+00 1.3719E+01 OXT 1934 BOND = 239.2902 ANGLE = 1312.3725 DIHED = 4086.9005 VDWAALS = -3056.4876 EEL = -30019.4001 HBOND = 0.0000 1-4 VDW = 1997.9088 1-4 EEL = 19679.8554 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4970 -5.7596E+03 1.3253E+00 1.3719E+01 OXT 1934 BOND = 239.2901 ANGLE = 1312.3722 DIHED = 4086.9004 VDWAALS = -3056.4885 EEL = -30019.4005 HBOND = 0.0000 1-4 VDW = 1997.9083 1-4 EEL = 19679.8550 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4975 -5.7378E+03 1.3254E+00 1.3719E+01 OXT 1934 BOND = 239.2901 ANGLE = 1312.3720 DIHED = 4086.9004 VDWAALS = -3056.4897 EEL = -29997.6119 HBOND = 0.0000 1-4 VDW = 1997.9080 1-4 EEL = 19679.8548 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4980 -5.7015E+03 1.3248E+00 1.3716E+01 OXT 1934 BOND = 239.2859 ANGLE = 1312.2646 DIHED = 4086.8725 VDWAALS = -3056.8623 EEL = -29960.4328 HBOND = 0.0000 1-4 VDW = 1997.7173 1-4 EEL = 19679.7023 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4985 -5.7596E+03 1.3253E+00 1.3719E+01 OXT 1934 BOND = 239.2901 ANGLE = 1312.3708 DIHED = 4086.9000 VDWAALS = -3056.4934 EEL = -30019.4024 HBOND = 0.0000 1-4 VDW = 1997.9058 1-4 EEL = 19679.8530 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4990 -5.7378E+03 1.3254E+00 1.3719E+01 OXT 1934 BOND = 239.2901 ANGLE = 1312.3703 DIHED = 4086.8999 VDWAALS = -3056.4958 EEL = -29997.6144 HBOND = 0.0000 1-4 VDW = 1997.9048 1-4 EEL = 19679.8523 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4995 -5.7596E+03 1.3253E+00 1.3719E+01 OXT 1934 BOND = 239.2901 ANGLE = 1312.3704 DIHED = 4086.8999 VDWAALS = -3056.4947 EEL = -30019.4029 HBOND = 0.0000 1-4 VDW = 1997.9051 1-4 EEL = 19679.8525 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 5000 -5.7378E+03 1.3254E+00 1.3719E+01 OXT 1934 BOND = 239.2901 ANGLE = 1312.3704 DIHED = 4086.8999 VDWAALS = -3056.4955 EEL = -29997.6142 HBOND = 0.0000 1-4 VDW = 1997.9050 1-4 EEL = 19679.8524 RESTRAINT = 0.0000 MAXIMUM NUMBER OF F EVALUATION EXCEEDED FINAL RESULTS NSTEP ENERGY RMS GMAX NAME NUMBER 5000 -5.7378E+03 1.3254E+00 1.3719E+01 OXT 1934 BOND = 239.2901 ANGLE = 1312.3704 DIHED = 4086.8999 VDWAALS = -3056.4955 EEL = -29997.6142 HBOND = 0.0000 1-4 VDW = 1997.9050 1-4 EEL = 19679.8524 RESTRAINT = 0.0000 -------------------------------------------------------------------------------- 5. TIMINGS -------------------------------------------------------------------------------- | Ewald setup time 0.01 ( 0.26% of List ) | Check list validity 5.10 (92.93% of List ) | Map frac coords 0.00 ( 0.01% of List ) | Grid unit cell 0.02 ( 0.35% of List ) | Grid image cell 0.03 ( 0.50% of List ) | Build the list 0.20 ( 3.65% of List ) | Other 0.13 ( 2.30% of List ) | List time 5.49 ( 1.25% of Nonbo) | Direct Ewald time 361.57 (83.43% of Ewald) | Finish NB virial 2.23 ( 0.51% of Ewald) | Ewald MPI wait 4.54 ( 1.05% of Ewald) | Other 65.07 (15.01% of Ewald) | Ewald time 433.40 (98.75% of Nonbo) | Nonbond force 438.91 (62.91% of Force) | Bond energy 1.94 ( 0.28% of Force) | Angle energy 11.88 ( 1.70% of Force) | Dihedral energy 43.10 ( 6.18% of Force) | FRC Collect time 86.04 (12.33% of Force) | Other 115.86 (16.61% of Force) | Force time 697.72 (100.0% of Runmd) | Runmd Time 697.72 (97.17% of Total) | Other 20.31 ( 2.83% of Total) | Total time 718.07 (100.0% of ALL ) | Highest rstack allocated: 2465 | Highest istack allocated: 807296 | Setup wallclock 3 seconds | Nonsetup wallclock 716 seconds