------------------------------------------------------- Amber 9 SANDER 2006 ------------------------------------------------------- | Run on 06/25/2009 at 07:09:48 [-O]verwriting output File Assignments: | MDIN: min.sander.in | MDOUT: complex-min.sander.out |INPCRD: complex.crd | PARM: complex.prmtop |RESTRT: complex-minimized.crd | REFC: refc | MDVEL: mdvel | MDEN: mden | MDCRD: mdcrd |MDINFO: mdinfo |INPDIP: inpdip |RSTDIP: rstdip Here is the input file: Minimization &cntrl imin = 1, maxcyc = 500, ncyc = 50, ntb = 0, igb=2, cut=999.0, rgbmax=999.0, ntpr = 1, &end -------------------------------------------------------------------------------- 1. RESOURCE USE: -------------------------------------------------------------------------------- | Flags: | New format PARM file being parsed. | Version = 1.000 Date = 06/25/09 Time = 06:55:51 NATOM = 2621 NTYPES = 14 NBONH = 1323 MBONA = 1318 NTHETH = 2989 MTHETA = 1775 NPHIH = 5342 MPHIA = 3091 NHPARM = 0 NPARM = 0 NNB = 14389 NRES = 163 NBONA = 1318 NTHETA = 1775 NPHIA = 3091 NUMBND = 43 NUMANG = 91 NPTRA = 29 NATYP = 30 NPHB = 0 IFBOX = 0 NMXRS = 24 IFCAP = 0 NEXTRA = 0 NCOPY = 0 Implicit solvent radii are H(N)-modified Bondi radii (mbondi2) | Memory Use Allocated | Real 168145 | Hollerith 15891 | Integer 147319 | Max Pairs 1 | nblistReal 0 | nblist Int 0 | Total 1951 kbytes | 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 = 1, 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 = 2, nsnb = 25 ipol = 0, gbsa = 0, iesp = 0 dielc = 1.00000, cut = 999.00000, intdiel = 1.00000 saltcon = 0.00000, offset = 0.09000, gbalpha= 0.80000 gbbeta = 0.00000, gbgamma = 2.90912, surften = 0.00500 rdt = 0.00000, rgbmax = 999.00000 alpb = 0 scnb = 2.00000, scee = 1.20000 Frozen or restrained atoms: ibelly = 0, ntr = 0 Energy minimization: maxcyc = 500, ncyc = 50, ntmin = 1 dx0 = 0.01000, drms = 0.00010 | INFO: Old style inpcrd file read -------------------------------------------------------------------------------- 3. ATOMIC COORDINATES AND VELOCITIES -------------------------------------------------------------------------------- begin time read from input coords = 0.000 ps Number of triangulated 3-point waters found: 0 -------------------------------------------------------------------------------- 4. RESULTS -------------------------------------------------------------------------------- NSTEP ENERGY RMS GMAX NAME NUMBER 1 -6.3427E+03 1.6038E+01 1.0583E+02 C 1206 BOND = 503.9962 ANGLE = 774.3296 DIHED = 1010.0504 VDWAALS = -1226.3873 EEL = -10603.3601 EGB = -2602.6759 1-4 VDW = 586.0961 1-4 EEL = 5215.2722 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 2 -6.3596E+03 1.5764E+01 1.0319E+02 C 1206 BOND = 493.0061 ANGLE = 770.3991 DIHED = 1009.2018 VDWAALS = -1227.0509 EEL = -10603.7319 EGB = -2602.6009 1-4 VDW = 585.8389 1-4 EEL = 5215.3391 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 3 -6.3795E+03 1.5439E+01 1.0006E+02 C 1206 BOND = 480.1513 ANGLE = 765.7436 DIHED = 1008.1775 VDWAALS = -1227.8512 EEL = -10604.1780 EGB = -2602.5117 1-4 VDW = 585.5296 1-4 EEL = 5215.4189 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 4 -6.4029E+03 1.5054E+01 9.6339E+01 C 1206 BOND = 465.2008 ANGLE = 760.2438 DIHED = 1006.9396 VDWAALS = -1228.8174 EEL = -10604.7132 EGB = -2602.4059 1-4 VDW = 585.1574 1-4 EEL = 5215.5138 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 5 -6.4301E+03 1.4598E+01 9.1943E+01 C 1206 BOND = 447.9361 ANGLE = 753.7676 DIHED = 1005.4414 VDWAALS = -1229.9855 EEL = -10605.3551 EGB = -2602.2805 1-4 VDW = 584.7093 1-4 EEL = 5215.6265 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 6 -6.4618E+03 1.4062E+01 8.6769E+01 C 1206 BOND = 428.1768 ANGLE = 746.1711 DIHED = 1003.6249 VDWAALS = -1231.4000 EEL = -10606.1249 EGB = -2602.1325 1-4 VDW = 584.1691 1-4 EEL = 5215.7600 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 7 -6.4982E+03 1.3434E+01 8.0710E+01 C 1206 BOND = 405.8181 ANGLE = 737.3021 DIHED = 1001.4178 VDWAALS = -1233.1167 EEL = -10607.0476 EGB = -2601.9585 1-4 VDW = 583.5170 1-4 EEL = 5215.9173 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 8 -6.5397E+03 1.2705E+01 7.3670E+01 C 1206 BOND = 380.8844 ANGLE = 727.0051 DIHED = 998.7294 VDWAALS = -1235.2056 EEL = -10608.1528 EGB = -2601.7549 1-4 VDW = 582.7281 1-4 EEL = 5216.1016 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 9 -6.5865E+03 1.1867E+01 6.7610E+01 CA 55 BOND = 353.6003 ANGLE = 715.1293 DIHED = 995.4456 VDWAALS = -1237.7554 EEL = -10609.4752 EGB = -2601.5181 1-4 VDW = 581.7713 1-4 EEL = 5216.3158 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 10 -6.6386E+03 1.0920E+01 6.2271E+01 CA 55 BOND = 324.4763 ANGLE = 701.5386 DIHED = 991.4222 VDWAALS = -1240.8795 EEL = -10611.0543 EGB = -2601.2453 1-4 VDW = 580.6067 1-4 EEL = 5216.5614 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 11 -6.6956E+03 9.8736E+00 5.5989E+01 CA 55 BOND = 294.3913 ANGLE = 686.1224 DIHED = 986.4790 VDWAALS = -1244.7234 EEL = -10612.9339 EGB = -2600.9348 1-4 VDW = 579.1825 1-4 EEL = 5216.8372 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 12 -6.7568E+03 8.7600E+00 4.8698E+01 CA 55 BOND = 264.6266 ANGLE = 668.8026 DIHED = 980.3975 VDWAALS = -1249.4706 EEL = -10615.1575 EGB = -2600.5878 1-4 VDW = 577.4312 1-4 EEL = 5217.1360 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 13 -6.8214E+03 7.6377E+00 4.3037E+01 HB2 1569 BOND = 236.7511 ANGLE = 649.5307 DIHED = 972.9357 VDWAALS = -1255.3424 EEL = -10617.7607 EGB = -2600.2109 1-4 VDW = 575.2665 1-4 EEL = 5217.4387 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 14 -6.8885E+03 6.5900E+00 3.7260E+01 HB2 1569 BOND = 212.2139 ANGLE = 628.2721 DIHED = 963.8866 VDWAALS = -1262.5706 EEL = -10620.7538 EGB = -2599.8196 1-4 VDW = 572.5844 1-4 EEL = 5217.7057 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 15 -6.9579E+03 5.6885E+00 3.1070E+01 HB2 1569 BOND = 191.6405 ANGLE = 604.9982 DIHED = 953.2181 VDWAALS = -1271.3155 EEL = -10624.1074 EGB = -2599.4409 1-4 VDW = 569.2789 1-4 EEL = 5217.8682 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 16 -7.0299E+03 4.9369E+00 2.7624E+01 HB3 970 BOND = 174.4207 ANGLE = 579.7257 DIHED = 941.2430 VDWAALS = -1281.5463 EEL = -10627.7805 EGB = -2599.1078 1-4 VDW = 565.2685 1-4 EEL = 5217.8323 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 17 -7.1051E+03 4.2794E+00 2.6512E+01 HB3 970 BOND = 159.4516 ANGLE = 552.5795 DIHED = 928.5981 VDWAALS = -1293.0265 EEL = -10631.8362 EGB = -2598.8406 1-4 VDW = 560.4926 1-4 EEL = 5217.5063 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 18 -7.1829E+03 3.6722E+00 2.4159E+01 HB3 970 BOND = 146.2896 ANGLE = 523.8090 DIHED = 915.9431 VDWAALS = -1305.4521 EEL = -10636.5125 EGB = -2598.6387 1-4 VDW = 554.8697 1-4 EEL = 5216.8128 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 19 -7.2624E+03 3.1097E+00 2.0895E+01 HB3 970 BOND = 135.3016 ANGLE = 493.7400 DIHED = 903.6350 VDWAALS = -1318.5161 EEL = -10642.0937 EGB = -2598.4818 1-4 VDW = 548.3128 1-4 EEL = 5215.6640 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 20 -7.3427E+03 2.6004E+00 1.7231E+01 HB3 970 BOND = 127.2134 ANGLE = 462.7179 DIHED = 891.5014 VDWAALS = -1331.8168 EEL = -10648.9271 EGB = -2598.2749 1-4 VDW = 540.8282 1-4 EEL = 5214.0202 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 21 -7.4227E+03 2.1434E+00 1.3425E+01 HB3 970 BOND = 122.2437 ANGLE = 431.6249 DIHED = 878.9225 VDWAALS = -1344.8648 EEL = -10657.5244 EGB = -2597.9102 1-4 VDW = 532.6195 1-4 EEL = 5212.1632 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 22 -7.5006E+03 1.7947E+00 1.3659E+01 CG 2018 BOND = 119.9291 ANGLE = 402.0440 DIHED = 865.3399 VDWAALS = -1357.3049 EEL = -10668.8258 EGB = -2597.0373 1-4 VDW = 524.1371 1-4 EEL = 5211.0778 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 23 -7.5429E+03 5.2670E+00 1.4972E+02 CG 2018 BOND = 145.3268 ANGLE = 381.0822 DIHED = 851.3640 VDWAALS = -1369.2228 EEL = -10682.9048 EGB = -2596.7875 1-4 VDW = 516.4555 1-4 EEL = 5211.8219 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 24 -7.1596E+03 1.9534E+01 6.0328E+02 CG 2018 BOND = 499.7525 ANGLE = 420.1225 DIHED = 846.9839 VDWAALS = -1369.8865 EEL = -10691.7292 EGB = -2593.5824 1-4 VDW = 514.7392 1-4 EEL = 5214.0144 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 25 -7.5438E+03 6.7709E+00 1.9759E+02 CG 2018 BOND = 162.9368 ANGLE = 376.3014 DIHED = 846.3485 VDWAALS = -1372.1105 EEL = -10690.5152 EGB = -2594.4251 1-4 VDW = 514.0825 1-4 EEL = 5213.5718 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 26 -7.5261E+03 8.4157E+00 2.7025E+02 CG 2018 BOND = 187.8797 ANGLE = 376.0404 DIHED = 844.7941 VDWAALS = -1374.5659 EEL = -10690.4963 EGB = -2596.6109 1-4 VDW = 513.4665 1-4 EEL = 5213.3792 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 27 -7.6069E+03 1.4890E+00 1.0222E+01 CG 2018 BOND = 118.4151 ANGLE = 366.2708 DIHED = 844.0108 VDWAALS = -1374.5965 EEL = -10693.0002 EGB = -2594.9807 1-4 VDW = 512.9708 1-4 EEL = 5213.9608 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 28 -7.6116E+03 3.7936E+00 6.2492E+01 CG 2018 BOND = 131.9570 ANGLE = 361.1085 DIHED = 839.4738 VDWAALS = -1377.7309 EEL = -10699.2898 EGB = -2593.3955 1-4 VDW = 510.9424 1-4 EEL = 5215.3730 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 29 -7.5950E+03 5.9116E+00 1.3105E+02 CG 2018 BOND = 151.9279 ANGLE = 364.3171 DIHED = 837.9315 VDWAALS = -1379.5082 EEL = -10701.7204 EGB = -2594.3846 1-4 VDW = 510.3939 1-4 EEL = 5216.0152 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 30 -7.6388E+03 1.4754E+00 9.5701E+00 HG1 2261 BOND = 118.1293 ANGLE = 356.0234 DIHED = 837.2307 VDWAALS = -1379.7503 EEL = -10703.0852 EGB = -2593.5005 1-4 VDW = 509.9180 1-4 EEL = 5216.2647 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 31 -7.6428E+03 2.8446E+00 2.4977E+01 C 2433 BOND = 125.1192 ANGLE = 352.8182 DIHED = 834.5063 VDWAALS = -1381.7827 EEL = -10706.8150 EGB = -2592.5937 1-4 VDW = 508.7785 1-4 EEL = 5217.1892 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 32 -7.6425E+03 3.6874E+00 2.9132E+01 C 1815 BOND = 129.7157 ANGLE = 353.7804 DIHED = 833.2642 VDWAALS = -1382.9492 EEL = -10709.9863 EGB = -2592.6569 1-4 VDW = 508.2874 1-4 EEL = 5218.0274 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 33 -7.6620E+03 1.0953E+00 9.2743E+00 HG1 2261 BOND = 116.9019 ANGLE = 348.8970 DIHED = 832.6012 VDWAALS = -1383.4017 EEL = -10710.6313 EGB = -2592.3814 1-4 VDW = 507.9130 1-4 EEL = 5218.1488 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 34 -7.6711E+03 1.3912E+00 1.0718E+01 C 2433 BOND = 117.6424 ANGLE = 345.7407 DIHED = 830.4081 VDWAALS = -1385.1272 EEL = -10714.1834 EGB = -2591.6224 1-4 VDW = 507.0215 1-4 EEL = 5219.0599 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 35 -7.6740E+03 2.4942E+00 3.5021E+01 CG 2018 BOND = 122.0551 ANGLE = 345.0230 DIHED = 828.7566 VDWAALS = -1386.5728 EEL = -10718.1605 EGB = -2591.5216 1-4 VDW = 506.2900 1-4 EEL = 5220.1435 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 36 -7.6751E+03 3.1119E+00 6.1968E+01 CG 2018 BOND = 125.9677 ANGLE = 343.0968 DIHED = 827.3474 VDWAALS = -1387.6481 EEL = -10719.3787 EGB = -2590.8000 1-4 VDW = 505.8574 1-4 EEL = 5220.4373 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 37 -7.6733E+03 3.9400E+00 1.0766E+02 CG 2018 BOND = 131.5665 ANGLE = 343.5703 DIHED = 826.5944 VDWAALS = -1388.2988 EEL = -10723.0292 EGB = -2590.5220 1-4 VDW = 505.4073 1-4 EEL = 5221.4045 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 38 -7.6940E+03 1.0481E+00 8.4353E+00 CG 2018 BOND = 116.2159 ANGLE = 339.4604 DIHED = 826.0465 VDWAALS = -1388.8217 EEL = -10722.8206 EGB = -2590.6598 1-4 VDW = 505.1944 1-4 EEL = 5221.4034 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 39 -7.6998E+03 1.8141E+00 3.7065E+01 CG 2018 BOND = 118.5726 ANGLE = 337.0386 DIHED = 824.2063 VDWAALS = -1390.2112 EEL = -10726.8352 EGB = -2589.3472 1-4 VDW = 504.4833 1-4 EEL = 5222.3161 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 40 -7.6972E+03 3.1624E+00 9.1847E+01 CG 2018 BOND = 125.0621 ANGLE = 337.3558 DIHED = 823.2817 VDWAALS = -1391.4322 EEL = -10727.9602 EGB = -2590.7026 1-4 VDW = 504.1283 1-4 EEL = 5223.0960 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 41 -7.7100E+03 1.0028E+00 7.9538E+00 HG1 2261 BOND = 115.8046 ANGLE = 334.8409 DIHED = 822.8705 VDWAALS = -1391.5310 EEL = -10729.6216 EGB = -2589.5492 1-4 VDW = 503.9250 1-4 EEL = 5223.2447 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 42 -7.7149E+03 1.2791E+00 1.0499E+01 C 2433 BOND = 116.4117 ANGLE = 333.0393 DIHED = 821.6547 VDWAALS = -1392.5243 EEL = -10732.0773 EGB = -2588.7597 1-4 VDW = 503.4841 1-4 EEL = 5223.8546 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 43 -7.7177E+03 1.8222E+00 1.6567E+01 C 603 BOND = 118.0908 ANGLE = 332.5488 DIHED = 820.7757 VDWAALS = -1393.4460 EEL = -10734.4608 EGB = -2589.0299 1-4 VDW = 503.1188 1-4 EEL = 5224.6677 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 44 -7.7197E+03 2.2195E+00 2.0713E+01 C 2433 BOND = 119.8832 ANGLE = 331.1238 DIHED = 819.7830 VDWAALS = -1394.1252 EEL = -10736.4135 EGB = -2587.7531 1-4 VDW = 502.8118 1-4 EEL = 5224.9757 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 45 -7.7203E+03 2.7319E+00 3.2882E+01 CG 2018 BOND = 122.3776 ANGLE = 331.3445 DIHED = 819.2362 VDWAALS = -1394.9220 EEL = -10737.9468 EGB = -2588.7180 1-4 VDW = 502.5684 1-4 EEL = 5225.7656 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 46 -7.7190E+03 3.3813E+00 6.5008E+01 CG 2018 BOND = 126.7816 ANGLE = 330.3214 DIHED = 818.2641 VDWAALS = -1395.3973 EEL = -10740.5051 EGB = -2586.7241 1-4 VDW = 502.2801 1-4 EEL = 5225.9806 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 47 -7.7349E+03 8.7703E-01 1.0673E+01 CG 2018 BOND = 114.9201 ANGLE = 327.5317 DIHED = 818.0797 VDWAALS = -1395.8001 EEL = -10740.5235 EGB = -2587.5374 1-4 VDW = 502.1271 1-4 EEL = 5226.2623 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 48 -7.7393E+03 1.6203E+00 4.6708E+01 CG 2018 BOND = 116.6698 ANGLE = 326.3914 DIHED = 816.8809 VDWAALS = -1396.9093 EEL = -10744.3487 EGB = -2586.9843 1-4 VDW = 501.6550 1-4 EEL = 5227.3311 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 49 -7.7359E+03 2.9997E+00 1.1148E+02 CG 2018 BOND = 123.1248 ANGLE = 325.5333 DIHED = 815.9829 VDWAALS = -1397.8133 EEL = -10744.7328 EGB = -2586.9429 1-4 VDW = 501.4500 1-4 EEL = 5227.5273 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 50 -7.7469E+03 9.0655E-01 7.9192E+00 CG 2018 BOND = 114.6334 ANGLE = 324.1459 DIHED = 815.8226 VDWAALS = -1397.8953 EEL = -10746.2669 EGB = -2586.4902 1-4 VDW = 501.3176 1-4 EEL = 5227.8652 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 51 -7.7501E+03 1.2471E+00 2.1803E+01 CG 2018 BOND = 115.2584 ANGLE = 323.4694 DIHED = 815.1056 VDWAALS = -1398.6176 EEL = -10748.7452 EGB = -2586.2520 1-4 VDW = 501.0365 1-4 EEL = 5228.6032 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 52 -7.7511E+03 1.0592E+00 1.5628E+01 CG 2018 BOND = 114.7780 ANGLE = 323.2171 DIHED = 815.0344 VDWAALS = -1398.6827 EEL = -10748.8355 EGB = -2586.2133 1-4 VDW = 501.0147 1-4 EEL = 5228.6248 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 53 -7.7533E+03 8.9003E-01 1.7283E+01 CG 2018 BOND = 114.3612 ANGLE = 322.3712 DIHED = 814.6616 VDWAALS = -1399.0238 EEL = -10749.3151 EGB = -2586.0136 1-4 VDW = 500.9131 1-4 EEL = 5228.7433 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 54 -7.7564E+03 8.7160E-01 6.4463E+00 HG1 2261 BOND = 114.2593 ANGLE = 321.4725 DIHED = 814.0789 VDWAALS = -1399.5637 EEL = -10750.9791 EGB = -2585.6189 1-4 VDW = 500.7136 1-4 EEL = 5229.1882 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 55 -7.7727E+03 3.0938E+00 1.1258E+02 CG 2018 BOND = 122.8161 ANGLE = 315.1455 DIHED = 809.2195 VDWAALS = -1403.9988 EEL = -10766.1418 EGB = -2582.1005 1-4 VDW = 499.0144 1-4 EEL = 5233.3088 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 56 -7.8032E+03 2.4671E+00 8.7319E+01 CG 2018 BOND = 118.9008 ANGLE = 307.3976 DIHED = 804.7614 VDWAALS = -1408.2086 EEL = -10781.9817 EGB = -2579.4469 1-4 VDW = 497.3412 1-4 EEL = 5238.0606 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 57 -7.8509E+03 3.1158E+00 1.5916E+02 OG1 2260 BOND = 135.9543 ANGLE = 292.7827 DIHED = 797.9212 VDWAALS = -1412.7254 EEL = -10848.6209 EGB = -2569.4806 1-4 VDW = 493.2714 1-4 EEL = 5260.0253 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 58 -7.8549E+03 2.2834E+00 1.1613E+02 OG1 2260 BOND = 125.4717 ANGLE = 293.1619 DIHED = 797.6310 VDWAALS = -1413.6952 EEL = -10835.0306 EGB = -2571.3456 1-4 VDW = 493.6764 1-4 EEL = 5255.2558 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 59 -7.8315E+03 5.1152E+00 2.4713E+02 OG1 2260 BOND = 150.1073 ANGLE = 292.3009 DIHED = 797.7983 VDWAALS = -1414.9032 EEL = -10848.9693 EGB = -2563.6174 1-4 VDW = 493.4625 1-4 EEL = 5262.2805 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 60 -7.8673E+03 1.0007E+00 2.0138E+01 CG 2018 BOND = 116.4489 ANGLE = 291.0600 DIHED = 797.3059 VDWAALS = -1414.5668 EEL = -10840.2363 EGB = -2568.4363 1-4 VDW = 493.4265 1-4 EEL = 5257.7120 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 61 -7.8705E+03 8.8065E-01 2.9319E+01 OG1 2260 BOND = 114.6887 ANGLE = 291.8069 DIHED = 796.9324 VDWAALS = -1416.0496 EEL = -10842.2845 EGB = -2567.5875 1-4 VDW = 493.6837 1-4 EEL = 5258.3157 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 62 -7.8709E+03 1.2158E+00 3.8457E+01 CG 2018 BOND = 114.8186 ANGLE = 292.3137 DIHED = 796.7661 VDWAALS = -1416.7266 EEL = -10843.2389 EGB = -2567.1967 1-4 VDW = 493.8071 1-4 EEL = 5258.5996 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 63 -7.8767E+03 9.1501E-01 2.1273E+01 CB 2254 BOND = 111.5913 ANGLE = 294.1895 DIHED = 796.0141 VDWAALS = -1419.9228 EEL = -10845.7443 EGB = -2566.5104 1-4 VDW = 494.6778 1-4 EEL = 5259.0173 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 64 -7.8802E+03 1.4948E+00 4.2398E+01 CB 2254 BOND = 110.4434 ANGLE = 298.3087 DIHED = 794.9993 VDWAALS = -1424.6257 EEL = -10849.6495 EGB = -2565.4935 1-4 VDW = 496.1136 1-4 EEL = 5259.7214 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 65 -7.8895E+03 1.6129E+00 5.7116E+01 OG1 2260 BOND = 106.9872 ANGLE = 302.9325 DIHED = 793.1026 VDWAALS = -1430.5734 EEL = -10858.1530 EGB = -2562.9435 1-4 VDW = 498.4111 1-4 EEL = 5260.6872 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 66 -7.8896E+03 1.5929E+00 5.6396E+01 OG1 2260 BOND = 106.9471 ANGLE = 302.8412 DIHED = 793.1241 VDWAALS = -1430.4997 EEL = -10858.0387 EGB = -2562.9769 1-4 VDW = 498.3786 1-4 EEL = 5260.6731 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 67 -7.8999E+03 1.6870E+00 4.0685E+01 HG1 2261 BOND = 104.7483 ANGLE = 301.0254 DIHED = 790.7140 VDWAALS = -1433.1686 EEL = -10863.1298 EGB = -2561.6157 1-4 VDW = 499.0954 1-4 EEL = 5262.3849 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 68 -7.9001E+03 1.8384E+00 4.2222E+01 CB 2254 BOND = 105.2690 ANGLE = 301.0821 DIHED = 790.4540 VDWAALS = -1433.4699 EEL = -10863.7787 EGB = -2561.4486 1-4 VDW = 499.2008 1-4 EEL = 5262.6093 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 69 -7.9117E+03 1.4812E+00 3.6798E+01 OG1 2260 BOND = 103.4035 ANGLE = 289.0489 DIHED = 788.5367 VDWAALS = -1433.6694 EEL = -10862.0907 EGB = -2559.0961 1-4 VDW = 499.0884 1-4 EEL = 5263.1078 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 70 -7.9118E+03 1.6304E+00 4.4263E+01 OG1 2260 BOND = 104.0271 ANGLE = 287.9935 DIHED = 788.3654 VDWAALS = -1433.6614 EEL = -10861.9058 EGB = -2558.8497 1-4 VDW = 499.0842 1-4 EEL = 5263.1649 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 71 -7.9218E+03 1.2931E+00 3.0063E+01 CG 2018 BOND = 105.5971 ANGLE = 278.8214 DIHED = 786.6678 VDWAALS = -1432.9271 EEL = -10866.6103 EGB = -2556.5913 1-4 VDW = 498.2167 1-4 EEL = 5264.9843 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 72 -7.9219E+03 1.3757E+00 3.3919E+01 CG 2018 BOND = 106.0983 ANGLE = 278.3769 DIHED = 786.5890 VDWAALS = -1432.8509 EEL = -10866.9195 EGB = -2556.4480 1-4 VDW = 498.1671 1-4 EEL = 5265.1074 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 73 -7.9271E+03 1.4378E+00 4.3981E+01 OG1 2260 BOND = 110.0825 ANGLE = 273.2806 DIHED = 785.5158 VDWAALS = -1432.8053 EEL = -10869.9219 EGB = -2555.9094 1-4 VDW = 497.6873 1-4 EEL = 5264.9960 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 74 -7.9275E+03 1.0928E+00 3.2846E+01 OG1 2260 BOND = 108.0624 ANGLE = 274.0800 DIHED = 785.6870 VDWAALS = -1432.8636 EEL = -10869.2674 EGB = -2556.0161 1-4 VDW = 497.7797 1-4 EEL = 5265.0130 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 75 -7.9322E+03 8.3598E-01 1.3871E+01 CB 2254 BOND = 108.1820 ANGLE = 272.0178 DIHED = 784.9080 VDWAALS = -1433.5562 EEL = -10870.9753 EGB = -2554.8957 1-4 VDW = 497.7887 1-4 EEL = 5264.3164 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 76 -7.9323E+03 8.2472E-01 1.3570E+01 CB 2254 BOND = 108.1389 ANGLE = 272.0285 DIHED = 784.9028 VDWAALS = -1433.5713 EEL = -10870.9977 EGB = -2554.9024 1-4 VDW = 497.7926 1-4 EEL = 5264.3260 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 77 -7.9324E+03 8.1164E-01 1.3213E+01 CB 2254 BOND = 108.0880 ANGLE = 272.0417 DIHED = 784.8965 VDWAALS = -1433.5897 EEL = -10871.0244 EGB = -2554.9102 1-4 VDW = 497.7975 1-4 EEL = 5264.3372 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 78 -7.9325E+03 7.9654E-01 1.2790E+01 CB 2254 BOND = 108.0281 ANGLE = 272.0580 DIHED = 784.8889 VDWAALS = -1433.6118 EEL = -10871.0561 EGB = -2554.9192 1-4 VDW = 497.8034 1-4 EEL = 5264.3502 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 79 -7.9326E+03 7.7930E-01 1.2292E+01 CB 2254 BOND = 107.9579 ANGLE = 272.0782 DIHED = 784.8797 VDWAALS = -1433.6387 EEL = -10871.0935 EGB = -2554.9295 1-4 VDW = 497.8106 1-4 EEL = 5264.3651 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 80 -7.9335E+03 6.5310E-01 8.2013E+00 CA 2252 BOND = 107.3964 ANGLE = 272.2900 DIHED = 784.7972 VDWAALS = -1433.8839 EEL = -10871.4267 EGB = -2555.0178 1-4 VDW = 497.8781 1-4 EEL = 5264.4922 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 81 -7.9352E+03 8.9819E-01 1.1673E+01 CG 2521 BOND = 106.4908 ANGLE = 273.7722 DIHED = 784.4823 VDWAALS = -1434.9042 EEL = -10872.8331 EGB = -2555.3953 1-4 VDW = 498.1754 1-4 EEL = 5265.0291 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 82 -7.9385E+03 7.4548E-01 1.5299E+01 CG2 2256 BOND = 103.6667 ANGLE = 275.8253 DIHED = 783.9938 VDWAALS = -1436.6400 EEL = -10873.5915 EGB = -2554.9518 1-4 VDW = 498.7960 1-4 EEL = 5264.3644 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 83 -7.9388E+03 9.6968E-01 1.7628E+01 CG2 2256 BOND = 103.2336 ANGLE = 276.8998 DIHED = 783.8413 VDWAALS = -1437.2711 EEL = -10873.8779 EGB = -2554.7906 1-4 VDW = 499.0427 1-4 EEL = 5264.1140 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 84 -7.9428E+03 7.6859E-01 1.5815E+01 CB 2254 BOND = 101.5460 ANGLE = 280.5993 DIHED = 783.3129 VDWAALS = -1439.0776 EEL = -10876.7844 EGB = -2555.3393 1-4 VDW = 498.8206 1-4 EEL = 5264.1053 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 85 -7.9429E+03 8.4147E-01 1.7736E+01 CB 2254 BOND = 101.6046 ANGLE = 281.0972 DIHED = 783.2727 VDWAALS = -1439.2535 EEL = -10877.0832 EGB = -2555.3979 1-4 VDW = 498.8033 1-4 EEL = 5264.1044 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 86 -7.9466E+03 8.2874E-01 1.8302E+01 CG 2018 BOND = 102.9272 ANGLE = 279.2963 DIHED = 782.7361 VDWAALS = -1438.8656 EEL = -10879.5863 EGB = -2555.2674 1-4 VDW = 497.4587 1-4 EEL = 5264.7215 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 87 -7.9468E+03 1.0311E+00 2.7023E+01 CG 2018 BOND = 103.8229 ANGLE = 279.0486 DIHED = 782.6234 VDWAALS = -1438.7366 EEL = -10880.2780 EGB = -2555.2359 1-4 VDW = 497.1000 1-4 EEL = 5264.8927 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 88 -7.9501E+03 9.8877E-01 2.2779E+01 CG 2018 BOND = 106.3562 ANGLE = 273.3163 DIHED = 782.1257 VDWAALS = -1437.3009 EEL = -10878.9160 EGB = -2555.1425 1-4 VDW = 495.1353 1-4 EEL = 5264.3601 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 89 -7.9502E+03 8.3926E-01 1.9780E+01 CB 2254 BOND = 105.6590 ANGLE = 273.9515 DIHED = 782.1735 VDWAALS = -1437.5146 EEL = -10879.1055 EGB = -2555.1520 1-4 VDW = 495.4005 1-4 EEL = 5264.4337 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 90 -7.9531E+03 6.0331E-01 9.0862E+00 CB 2254 BOND = 107.7122 ANGLE = 270.8523 DIHED = 781.8837 VDWAALS = -1436.2156 EEL = -10880.7868 EGB = -2554.9132 1-4 VDW = 493.7735 1-4 EEL = 5264.6116 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 91 -7.9533E+03 7.7530E-01 1.0992E+01 CB 2254 BOND = 109.1719 ANGLE = 269.8236 DIHED = 781.7960 VDWAALS = -1435.6600 EEL = -10881.4683 EGB = -2554.8221 1-4 VDW = 493.1290 1-4 EEL = 5264.6844 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 92 -7.9555E+03 9.6995E-01 2.0694E+01 CB 2254 BOND = 112.4755 ANGLE = 267.9423 DIHED = 781.3726 VDWAALS = -1435.3206 EEL = -10881.6096 EGB = -2555.6131 1-4 VDW = 491.7535 1-4 EEL = 5263.5107 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 93 -7.9556E+03 7.8476E-01 1.7172E+01 CB 2254 BOND = 111.5247 ANGLE = 268.1712 DIHED = 781.4378 VDWAALS = -1435.3923 EEL = -10881.5832 EGB = -2555.4698 1-4 VDW = 491.9953 1-4 EEL = 5263.7201 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 94 -7.9591E+03 6.7546E-01 1.1699E+01 CA 2252 BOND = 111.5139 ANGLE = 267.6792 DIHED = 780.8781 VDWAALS = -1436.6305 EEL = -10880.2293 EGB = -2555.5267 1-4 VDW = 491.4453 1-4 EEL = 5261.8125 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 95 -7.9604E+03 1.1226E+00 2.3245E+01 CB 2254 BOND = 112.8763 ANGLE = 267.9435 DIHED = 780.3975 VDWAALS = -1437.8499 EEL = -10878.7469 EGB = -2555.6063 1-4 VDW = 490.8870 1-4 EEL = 5259.7322 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 96 -7.9652E+03 8.8583E-01 1.1276E+01 CB 2254 BOND = 111.1985 ANGLE = 271.7145 DIHED = 779.5115 VDWAALS = -1441.3418 EEL = -10877.1422 EGB = -2556.3894 1-4 VDW = 489.9727 1-4 EEL = 5257.2818 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 97 -7.9652E+03 8.9310E-01 1.1392E+01 CB 2254 BOND = 111.2077 ANGLE = 271.7566 DIHED = 779.5060 VDWAALS = -1441.3679 EEL = -10877.1291 EGB = -2556.3961 1-4 VDW = 489.9660 1-4 EEL = 5257.2620 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 98 -7.9682E+03 8.4215E-01 1.6487E+01 CG2 2256 BOND = 108.1887 ANGLE = 274.6306 DIHED = 778.8456 VDWAALS = -1443.5906 EEL = -10875.9782 EGB = -2555.8950 1-4 VDW = 490.0109 1-4 EEL = 5255.5866 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 99 -7.9682E+03 8.2262E-01 1.5933E+01 CG2 2256 BOND = 108.2084 ANGLE = 274.5493 DIHED = 778.8586 VDWAALS = -1443.5422 EEL = -10876.0045 EGB = -2555.9062 1-4 VDW = 490.0089 1-4 EEL = 5255.6247 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 100 -7.9715E+03 6.8556E-01 1.3222E+01 CG2 2256 BOND = 106.1507 ANGLE = 276.0717 DIHED = 778.1339 VDWAALS = -1445.0061 EEL = -10877.4595 EGB = -2555.7563 1-4 VDW = 490.0442 1-4 EEL = 5256.3255 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 101 -7.9716E+03 6.6770E-01 1.2843E+01 CG2 2256 BOND = 106.1262 ANGLE = 276.0111 DIHED = 778.1281 VDWAALS = -1444.9920 EEL = -10877.4737 EGB = -2555.7419 1-4 VDW = 490.0416 1-4 EEL = 5256.3341 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 102 -7.9716E+03 6.4727E-01 1.2392E+01 CG2 2256 BOND = 106.0996 ANGLE = 275.9385 DIHED = 778.1211 VDWAALS = -1444.9749 EEL = -10877.4914 EGB = -2555.7249 1-4 VDW = 490.0384 1-4 EEL = 5256.3446 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 103 -7.9717E+03 6.2417E-01 1.1856E+01 CG2 2256 BOND = 106.0716 ANGLE = 275.8516 DIHED = 778.1126 VDWAALS = -1444.9541 EEL = -10877.5132 EGB = -2555.7051 1-4 VDW = 490.0344 1-4 EEL = 5256.3576 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 104 -7.9719E+03 5.9850E-01 1.1223E+01 CG2 2256 BOND = 106.0432 ANGLE = 275.7475 DIHED = 778.1022 VDWAALS = -1444.9286 EEL = -10877.5404 EGB = -2555.6820 1-4 VDW = 490.0296 1-4 EEL = 5256.3736 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 105 -7.9727E+03 4.4464E-01 8.3910E+00 HB 2255 BOND = 105.9620 ANGLE = 274.8206 DIHED = 778.0063 VDWAALS = -1444.6879 EEL = -10877.8048 EGB = -2555.4775 1-4 VDW = 489.9846 1-4 EEL = 5256.5268 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 106 -7.9732E+03 6.3731E-01 1.3252E+01 CG 1464 BOND = 106.4919 ANGLE = 273.4068 DIHED = 777.8540 VDWAALS = -1444.2724 EEL = -10878.2551 EGB = -2555.1318 1-4 VDW = 489.9139 1-4 EEL = 5256.7876 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 107 -7.9749E+03 5.5314E-01 1.1394E+01 CG2 2256 BOND = 107.2373 ANGLE = 271.2026 DIHED = 777.5286 VDWAALS = -1443.3635 EEL = -10879.7027 EGB = -2555.0611 1-4 VDW = 489.7346 1-4 EEL = 5257.4956 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 108 -7.9751E+03 7.1488E-01 1.5681E+01 CG 1464 BOND = 107.8209 ANGLE = 270.5570 DIHED = 777.4275 VDWAALS = -1443.0297 EEL = -10880.2201 EGB = -2555.0384 1-4 VDW = 489.6786 1-4 EEL = 5257.7482 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 109 -7.9771E+03 5.9290E-01 8.7186E+00 CG 174 BOND = 108.6574 ANGLE = 268.4560 DIHED = 776.9724 VDWAALS = -1441.6771 EEL = -10883.4285 EGB = -2554.3835 1-4 VDW = 489.5252 1-4 EEL = 5258.7856 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 110 -7.9771E+03 6.4687E-01 1.0830E+01 CG 174 BOND = 108.8504 ANGLE = 268.3081 DIHED = 776.9349 VDWAALS = -1441.5390 EEL = -10883.7441 EGB = -2554.3204 1-4 VDW = 489.5134 1-4 EEL = 5258.8878 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 111 -7.9784E+03 6.4213E-01 1.0531E+01 CB 2254 BOND = 108.5359 ANGLE = 267.2851 DIHED = 776.4430 VDWAALS = -1441.1802 EEL = -10884.7474 EGB = -2553.9235 1-4 VDW = 489.7073 1-4 EEL = 5259.5017 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 112 -7.9785E+03 4.9726E-01 9.9502E+00 CB 2254 BOND = 108.3703 ANGLE = 267.3990 DIHED = 776.5309 VDWAALS = -1441.2583 EEL = -10884.5466 EGB = -2554.0012 1-4 VDW = 489.6647 1-4 EEL = 5259.3783 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 113 -7.9795E+03 3.9507E-01 6.4433E+00 OG1 2260 BOND = 107.5393 ANGLE = 267.8653 DIHED = 776.2603 VDWAALS = -1441.5176 EEL = -10885.3527 EGB = -2553.7451 1-4 VDW = 489.9513 1-4 EEL = 5259.4853 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 114 -7.9796E+03 5.2172E-01 7.9108E+00 CG2 2256 BOND = 107.4337 ANGLE = 268.1390 DIHED = 776.1574 VDWAALS = -1441.6210 EEL = -10885.6928 EGB = -2553.6384 1-4 VDW = 490.0760 1-4 EEL = 5259.5309 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 115 -7.9812E+03 4.9357E-01 1.0553E+01 CG2 2256 BOND = 106.2747 ANGLE = 269.1541 DIHED = 775.8635 VDWAALS = -1442.4919 EEL = -10886.4016 EGB = -2553.3533 1-4 VDW = 490.6713 1-4 EEL = 5259.0662 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 116 -7.9815E+03 7.2720E-01 1.2153E+01 CG2 2256 BOND = 106.0236 ANGLE = 269.9519 DIHED = 775.7283 VDWAALS = -1442.9991 EEL = -10886.8311 EGB = -2553.1851 1-4 VDW = 491.0424 1-4 EEL = 5258.7865 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 117 -7.9838E+03 5.7239E-01 9.9039E+00 CG 174 BOND = 104.4414 ANGLE = 271.0025 DIHED = 775.3877 VDWAALS = -1444.0625 EEL = -10888.6503 EGB = -2552.2504 1-4 VDW = 491.5570 1-4 EEL = 5258.8128 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 118 -7.9839E+03 7.0074E-01 1.5859E+01 CG 174 BOND = 104.2930 ANGLE = 271.4576 DIHED = 775.3288 VDWAALS = -1444.3341 EEL = -10889.1468 EGB = -2551.9982 1-4 VDW = 491.7057 1-4 EEL = 5258.8221 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 119 -7.9855E+03 9.0179E-01 2.5832E+01 CG 174 BOND = 103.2293 ANGLE = 270.1054 DIHED = 774.8626 VDWAALS = -1444.6673 EEL = -10889.2182 EGB = -2550.9629 1-4 VDW = 492.0735 1-4 EEL = 5259.0992 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 120 -7.9856E+03 6.8588E-01 1.6662E+01 CG 174 BOND = 103.1051 ANGLE = 270.3047 DIHED = 774.9472 VDWAALS = -1444.6056 EEL = -10889.2045 EGB = -2551.1878 1-4 VDW = 491.9870 1-4 EEL = 5259.0362 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 121 -7.9875E+03 5.8717E-01 1.1940E+01 CG2 2256 BOND = 104.0066 ANGLE = 267.7605 DIHED = 774.4845 VDWAALS = -1444.2718 EEL = -10890.1670 EGB = -2550.4750 1-4 VDW = 491.8547 1-4 EEL = 5259.2745 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 122 -7.9876E+03 6.6848E-01 1.3368E+01 CG2 2256 BOND = 104.3128 ANGLE = 267.4386 DIHED = 774.4275 VDWAALS = -1444.2140 EEL = -10890.3142 EGB = -2550.3677 1-4 VDW = 491.8374 1-4 EEL = 5259.3122 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 123 -7.9897E+03 5.8778E-01 7.6979E+00 OG 2146 BOND = 106.4081 ANGLE = 264.4536 DIHED = 773.9565 VDWAALS = -1443.6849 EEL = -10892.2075 EGB = -2549.7154 1-4 VDW = 491.1976 1-4 EEL = 5259.9071 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 124 -7.9897E+03 6.6908E-01 9.1877E+00 OG 2146 BOND = 106.9005 ANGLE = 264.0831 DIHED = 773.9028 VDWAALS = -1443.5969 EEL = -10892.4967 EGB = -2549.6181 1-4 VDW = 491.1030 1-4 EEL = 5259.9998 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 125 -7.9917E+03 8.8719E-01 1.4150E+01 CG2 2256 BOND = 107.6838 ANGLE = 261.5652 DIHED = 773.1501 VDWAALS = -1443.5228 EEL = -10892.8330 EGB = -2548.4863 1-4 VDW = 490.7950 1-4 EEL = 5259.9938 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 126 -7.9918E+03 8.5382E-01 1.3686E+01 CG2 2256 BOND = 107.5994 ANGLE = 261.6033 DIHED = 773.1431 VDWAALS = -1443.5312 EEL = -10892.9017 EGB = -2548.4949 1-4 VDW = 490.7988 1-4 EEL = 5260.0138 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 127 -7.9919E+03 8.1522E-01 1.3128E+01 CG2 2256 BOND = 107.5025 ANGLE = 261.6501 DIHED = 773.1345 VDWAALS = -1443.5419 EEL = -10892.9831 EGB = -2548.5050 1-4 VDW = 490.8038 1-4 EEL = 5260.0371 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 128 -7.9921E+03 7.7110E-01 1.2458E+01 CG2 2256 BOND = 107.3924 ANGLE = 261.7078 DIHED = 773.1238 VDWAALS = -1443.5556 EEL = -10893.0793 EGB = -2548.5167 1-4 VDW = 490.8105 1-4 EEL = 5260.0638 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 129 -7.9922E+03 7.2154E-01 1.1655E+01 CG2 2256 BOND = 107.2686 ANGLE = 261.7791 DIHED = 773.1103 VDWAALS = -1443.5734 EEL = -10893.1921 EGB = -2548.5300 1-4 VDW = 490.8194 1-4 EEL = 5260.0941 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 130 -7.9930E+03 4.9602E-01 6.8311E+00 CG2 2256 BOND = 106.6932 ANGLE = 262.2563 DIHED = 773.0272 VDWAALS = -1443.6904 EEL = -10893.8540 EGB = -2548.6052 1-4 VDW = 490.8814 1-4 EEL = 5260.2626 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 131 -7.9935E+03 5.8742E-01 7.8836E+00 CG 174 BOND = 106.3956 ANGLE = 263.1626 DIHED = 772.9107 VDWAALS = -1443.8689 EEL = -10894.8871 EGB = -2548.7239 1-4 VDW = 490.9807 1-4 EEL = 5260.5254 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 132 -7.9948E+03 4.0967E-01 7.0460E+00 CG2 2256 BOND = 105.1054 ANGLE = 264.1515 DIHED = 772.6316 VDWAALS = -1444.4624 EEL = -10895.1646 EGB = -2548.6174 1-4 VDW = 491.3542 1-4 EEL = 5260.2323 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 133 -7.9951E+03 5.7131E-01 1.2574E+01 CG2 2256 BOND = 104.4160 ANGLE = 265.2623 DIHED = 772.4413 VDWAALS = -1444.9689 EEL = -10895.4083 EGB = -2548.5280 1-4 VDW = 491.6884 1-4 EEL = 5259.9761 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 134 -7.9965E+03 6.2806E-01 1.4465E+01 CG 174 BOND = 102.9627 ANGLE = 267.8349 DIHED = 772.0671 VDWAALS = -1445.6859 EEL = -10896.9193 EGB = -2548.3002 1-4 VDW = 491.6855 1-4 EEL = 5259.8477 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 135 -7.9965E+03 5.6810E-01 1.2300E+01 CG 174 BOND = 103.0039 ANGLE = 267.5616 DIHED = 772.0936 VDWAALS = -1445.6233 EEL = -10896.7809 EGB = -2548.3204 1-4 VDW = 491.6841 1-4 EEL = 5259.8595 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 136 -7.9978E+03 6.7797E-01 1.6390E+01 CG 174 BOND = 103.7973 ANGLE = 268.4578 DIHED = 771.6566 VDWAALS = -1445.7431 EEL = -10898.4067 EGB = -2548.5001 1-4 VDW = 491.1124 1-4 EEL = 5259.8567 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 137 -7.9978E+03 6.0964E-01 1.3604E+01 CG 174 BOND = 103.6239 ANGLE = 268.3413 DIHED = 771.6935 VDWAALS = -1445.7341 EEL = -10898.2491 EGB = -2548.4822 1-4 VDW = 491.1663 1-4 EEL = 5259.8568 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 138 -7.9993E+03 4.6483E-01 7.0736E+00 OG 2146 BOND = 104.5647 ANGLE = 266.6224 DIHED = 771.2326 VDWAALS = -1445.1856 EEL = -10898.7286 EGB = -2548.2004 1-4 VDW = 490.4817 1-4 EEL = 5259.8706 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 139 -7.9994E+03 5.7206E-01 9.5814E+00 OG 2146 BOND = 105.0342 ANGLE = 266.2510 DIHED = 771.1284 VDWAALS = -1445.0170 EEL = -10898.8660 EGB = -2548.1209 1-4 VDW = 490.2912 1-4 EEL = 5259.8748 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 140 -8.0008E+03 5.3399E-01 7.2987E+00 OG 2146 BOND = 106.5760 ANGLE = 263.9664 DIHED = 770.8403 VDWAALS = -1443.8608 EEL = -10899.9847 EGB = -2547.9029 1-4 VDW = 489.0163 1-4 EEL = 5260.5951 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 141 -8.0008E+03 4.8894E-01 6.9636E+00 CB 2254 BOND = 106.3768 ANGLE = 264.1208 DIHED = 770.8553 VDWAALS = -1443.9572 EEL = -10899.8946 EGB = -2547.9199 1-4 VDW = 489.1170 1-4 EEL = 5260.5371 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 142 -8.0017E+03 4.7645E-01 1.0732E+01 CB 2254 BOND = 107.2904 ANGLE = 263.2287 DIHED = 770.7672 VDWAALS = -1443.4453 EEL = -10900.5332 EGB = -2547.9472 1-4 VDW = 488.4837 1-4 EEL = 5260.4611 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 143 -8.0017E+03 4.4889E-01 9.9748E+00 CB 2254 BOND = 107.2001 ANGLE = 263.2661 DIHED = 770.7700 VDWAALS = -1443.4752 EEL = -10900.4973 EGB = -2547.9456 1-4 VDW = 488.5187 1-4 EEL = 5260.4653 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 144 -8.0027E+03 4.3002E-01 8.4369E+00 OG1 2260 BOND = 107.7878 ANGLE = 263.2312 DIHED = 770.6251 VDWAALS = -1443.6609 EEL = -10901.0721 EGB = -2547.9098 1-4 VDW = 488.3121 1-4 EEL = 5259.9877 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 145 -8.0028E+03 5.5902E-01 1.0124E+01 OG 2146 BOND = 108.1752 ANGLE = 263.2937 DIHED = 770.5881 VDWAALS = -1443.7193 EEL = -10901.2743 EGB = -2547.8984 1-4 VDW = 488.2428 1-4 EEL = 5259.8210 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 146 -8.0041E+03 4.4851E-01 5.8568E+00 CB 2254 BOND = 107.4414 ANGLE = 264.1448 DIHED = 770.3131 VDWAALS = -1444.6130 EEL = -10900.8860 EGB = -2548.0374 1-4 VDW = 488.1170 1-4 EEL = 5259.3751 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 147 -8.0043E+03 5.7918E-01 1.0054E+01 CG 1464 BOND = 107.4021 ANGLE = 264.5900 DIHED = 770.2319 VDWAALS = -1444.9317 EEL = -10900.7433 EGB = -2548.0921 1-4 VDW = 488.0769 1-4 EEL = 5259.2116 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 148 -8.0055E+03 6.5489E-01 1.4774E+01 CG 1464 BOND = 105.7666 ANGLE = 267.0346 DIHED = 769.7937 VDWAALS = -1446.2531 EEL = -10901.0794 EGB = -2547.5187 1-4 VDW = 488.0986 1-4 EEL = 5258.6938 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 149 -8.0055E+03 5.4127E-01 1.0784E+01 CG 1464 BOND = 105.8649 ANGLE = 266.5819 DIHED = 769.8568 VDWAALS = -1446.0476 EEL = -10901.0238 EGB = -2547.6095 1-4 VDW = 488.0917 1-4 EEL = 5258.7755 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 150 -8.0066E+03 5.5451E-01 8.5093E+00 CG 1464 BOND = 105.4936 ANGLE = 268.4398 DIHED = 769.3955 VDWAALS = -1447.1129 EEL = -10902.0976 EGB = -2547.5552 1-4 VDW = 488.1124 1-4 EEL = 5258.7272 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 151 -8.0067E+03 5.3544E-01 7.7937E+00 CG 1464 BOND = 105.4767 ANGLE = 268.3837 DIHED = 769.3894 VDWAALS = -1447.0995 EEL = -10902.1133 EGB = -2547.5375 1-4 VDW = 488.1102 1-4 EEL = 5258.7367 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 152 -8.0067E+03 5.1392E-01 7.1581E+00 HB 2255 BOND = 105.4592 ANGLE = 268.3163 DIHED = 769.3819 VDWAALS = -1447.0832 EEL = -10902.1318 EGB = -2547.5168 1-4 VDW = 488.1076 1-4 EEL = 5258.7482 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 153 -8.0068E+03 4.9005E-01 7.0232E+00 HB 2255 BOND = 105.4420 ANGLE = 268.2355 DIHED = 769.3728 VDWAALS = -1447.0637 EEL = -10902.1539 EGB = -2547.4926 1-4 VDW = 488.1044 1-4 EEL = 5258.7620 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 154 -8.0069E+03 4.6420E-01 6.8618E+00 HB 2255 BOND = 105.4263 ANGLE = 268.1390 DIHED = 769.3618 VDWAALS = -1447.0402 EEL = -10902.1801 EGB = -2547.4647 1-4 VDW = 488.1005 1-4 EEL = 5258.7787 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 155 -8.0076E+03 3.5874E-01 5.4575E+00 CG 1464 BOND = 105.5116 ANGLE = 267.0407 DIHED = 769.2314 VDWAALS = -1446.7541 EEL = -10902.4927 EGB = -2547.1450 1-4 VDW = 488.0544 1-4 EEL = 5258.9808 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 156 -8.0077E+03 5.0725E-01 1.2162E+01 CG 1464 BOND = 105.8100 ANGLE = 266.4081 DIHED = 769.1532 VDWAALS = -1446.5698 EEL = -10902.6917 EGB = -2546.9426 1-4 VDW = 488.0270 1-4 EEL = 5259.1093 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 157 -8.0087E+03 4.3306E-01 7.5116E+00 CB 2254 BOND = 106.2422 ANGLE = 264.8218 DIHED = 768.9194 VDWAALS = -1446.0935 EEL = -10903.1590 EGB = -2546.8297 1-4 VDW = 487.9392 1-4 EEL = 5259.4616 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 158 -8.0087E+03 5.3221E-01 1.1335E+01 CG 1464 BOND = 106.5057 ANGLE = 264.4576 DIHED = 768.8644 VDWAALS = -1445.9618 EEL = -10903.2851 EGB = -2546.8005 1-4 VDW = 487.9184 1-4 EEL = 5259.5564 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 159 -8.0100E+03 4.3268E-01 5.1511E+00 CG 174 BOND = 106.8842 ANGLE = 263.2283 DIHED = 768.5557 VDWAALS = -1445.2820 EEL = -10905.0850 EGB = -2546.1994 1-4 VDW = 487.8291 1-4 EEL = 5260.0936 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 160 -8.0100E+03 5.0583E-01 8.0772E+00 CG 174 BOND = 107.0792 ANGLE = 263.0562 DIHED = 768.5062 VDWAALS = -1445.1451 EEL = -10905.4341 EGB = -2546.0842 1-4 VDW = 487.8152 1-4 EEL = 5260.1979 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 161 -8.0109E+03 5.4786E-01 9.1234E+00 CB 2254 BOND = 106.9983 ANGLE = 262.0591 DIHED = 768.0471 VDWAALS = -1445.0826 EEL = -10905.5655 EGB = -2545.7129 1-4 VDW = 487.9954 1-4 EEL = 5260.3890 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 162 -8.0109E+03 4.2673E-01 8.7208E+00 CB 2254 BOND = 106.8650 ANGLE = 262.1930 DIHED = 768.1299 VDWAALS = -1445.0993 EEL = -10905.5389 EGB = -2545.7861 1-4 VDW = 487.9566 1-4 EEL = 5260.3505 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 163 -8.0117E+03 3.6621E-01 5.2199E+00 HB 2255 BOND = 106.4048 ANGLE = 262.4811 DIHED = 767.8618 VDWAALS = -1445.3819 EEL = -10905.8346 EGB = -2545.5880 1-4 VDW = 488.2501 1-4 EEL = 5260.0746 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 164 -8.0118E+03 4.5032E-01 5.9529E+00 HB 2255 BOND = 106.4021 ANGLE = 262.6021 DIHED = 767.7985 VDWAALS = -1445.4543 EEL = -10905.9144 EGB = -2545.5355 1-4 VDW = 488.3310 1-4 EEL = 5260.0009 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 165 -8.0128E+03 4.4675E-01 6.3543E+00 HB 2255 BOND = 105.5796 ANGLE = 263.6943 DIHED = 767.5879 VDWAALS = -1446.1081 EEL = -10906.4032 EGB = -2545.4072 1-4 VDW = 488.8052 1-4 EEL = 5259.4898 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 166 -8.0128E+03 5.3038E-01 7.4618E+00 CG 174 BOND = 105.5177 ANGLE = 263.9676 DIHED = 767.5573 VDWAALS = -1446.2381 EEL = -10906.5043 EGB = -2545.3818 1-4 VDW = 488.9047 1-4 EEL = 5259.3855 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 167 -8.0140E+03 4.2953E-01 5.7135E+00 CG2 2256 BOND = 104.7517 ANGLE = 264.4214 DIHED = 767.3741 VDWAALS = -1446.9463 EEL = -10907.1542 EGB = -2544.8118 1-4 VDW = 489.2595 1-4 EEL = 5259.0590 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 168 -8.0141E+03 5.2934E-01 8.4795E+00 CG 174 BOND = 104.6980 ANGLE = 264.6451 DIHED = 767.3439 VDWAALS = -1447.1371 EEL = -10907.3394 EGB = -2544.6529 1-4 VDW = 489.3637 1-4 EEL = 5258.9685 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 169 -8.0152E+03 6.1639E-01 1.2839E+01 CG 174 BOND = 103.9261 ANGLE = 263.7569 DIHED = 767.0148 VDWAALS = -1447.4514 EEL = -10907.5766 EGB = -2543.7909 1-4 VDW = 489.5834 1-4 EEL = 5259.3258 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 170 -8.0152E+03 5.2295E-01 9.8023E+00 CG 174 BOND = 103.9050 ANGLE = 263.8397 DIHED = 767.0529 VDWAALS = -1447.4108 EEL = -10907.5416 EGB = -2543.9122 1-4 VDW = 489.5498 1-4 EEL = 5259.2741 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 171 -8.0164E+03 5.0939E-01 9.4470E+00 CG 174 BOND = 104.2303 ANGLE = 262.3520 DIHED = 766.7020 VDWAALS = -1447.4478 EEL = -10908.0726 EGB = -2543.2607 1-4 VDW = 489.4981 1-4 EEL = 5259.6062 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 172 -8.0164E+03 5.2307E-01 9.9689E+00 CG 174 BOND = 104.2587 ANGLE = 262.3200 DIHED = 766.6947 VDWAALS = -1447.4481 EEL = -10908.0873 EGB = -2543.2434 1-4 VDW = 489.4971 1-4 EEL = 5259.6154 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 173 -8.0175E+03 5.2148E-01 9.7883E+00 CG 174 BOND = 105.3976 ANGLE = 260.7856 DIHED = 766.4064 VDWAALS = -1447.3617 EEL = -10909.4225 EGB = -2542.4815 1-4 VDW = 489.1175 1-4 EEL = 5260.0088 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 174 -8.0175E+03 5.1830E-01 9.6674E+00 CG 174 BOND = 105.3861 ANGLE = 260.7930 DIHED = 766.4076 VDWAALS = -1447.3623 EEL = -10909.4142 EGB = -2542.4860 1-4 VDW = 489.1198 1-4 EEL = 5260.0063 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 175 -8.0187E+03 6.6963E-01 1.0014E+01 CG2 2256 BOND = 106.1116 ANGLE = 259.7893 DIHED = 765.9714 VDWAALS = -1447.4715 EEL = -10910.3241 EGB = -2541.9673 1-4 VDW = 488.8276 1-4 EEL = 5260.3307 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 176 -8.0188E+03 6.4330E-01 9.6046E+00 CG2 2256 BOND = 106.0458 ANGLE = 259.8009 DIHED = 765.9646 VDWAALS = -1447.4737 EEL = -10910.3415 EGB = -2541.9690 1-4 VDW = 488.8346 1-4 EEL = 5260.3296 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 177 -8.0189E+03 6.1318E-01 9.1144E+00 CG2 2256 BOND = 105.9710 ANGLE = 259.8157 DIHED = 765.9563 VDWAALS = -1447.4766 EEL = -10910.3624 EGB = -2541.9711 1-4 VDW = 488.8429 1-4 EEL = 5260.3280 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 178 -8.0190E+03 5.7926E-01 8.5296E+00 CG2 2256 BOND = 105.8868 ANGLE = 259.8346 DIHED = 765.9460 VDWAALS = -1447.4806 EEL = -10910.3876 EGB = -2541.9739 1-4 VDW = 488.8531 1-4 EEL = 5260.3257 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 179 -8.0191E+03 5.4189E-01 7.8354E+00 CG2 2256 BOND = 105.7936 ANGLE = 259.8587 DIHED = 765.9331 VDWAALS = -1447.4862 EEL = -10910.4181 EGB = -2541.9774 1-4 VDW = 488.8654 1-4 EEL = 5260.3223 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 180 -8.0198E+03 3.6775E-01 4.8083E+00 HG21 2257 BOND = 105.2093 ANGLE = 260.1493 DIHED = 765.8174 VDWAALS = -1447.5436 EEL = -10910.7005 EGB = -2542.0121 1-4 VDW = 488.9799 1-4 EEL = 5260.2841 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 181 -8.0200E+03 4.9751E-01 9.1108E+00 CG 174 BOND = 105.0630 ANGLE = 260.4304 DIHED = 765.7448 VDWAALS = -1447.5826 EEL = -10910.9014 EGB = -2542.0377 1-4 VDW = 489.0627 1-4 EEL = 5260.2569 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 182 -8.0209E+03 3.7355E-01 7.7530E+00 CG2 2256 BOND = 104.6131 ANGLE = 261.1044 DIHED = 765.4950 VDWAALS = -1447.8656 EEL = -10911.3801 EGB = -2542.1334 1-4 VDW = 489.2273 1-4 EEL = 5260.0253 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 183 -8.0210E+03 4.8932E-01 9.8545E+00 CG2 2256 BOND = 104.5978 ANGLE = 261.4977 DIHED = 765.4138 VDWAALS = -1447.9825 EEL = -10911.5855 EGB = -2542.1761 1-4 VDW = 489.3007 1-4 EEL = 5259.9261 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 184 -8.0220E+03 4.9456E-01 9.2492E+00 CG 174 BOND = 104.3314 ANGLE = 262.6684 DIHED = 765.1356 VDWAALS = -1448.1283 EEL = -10912.8822 EGB = -2542.0929 1-4 VDW = 489.1731 1-4 EEL = 5259.7861 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 185 -8.0220E+03 4.8550E-01 8.9136E+00 CG 174 BOND = 104.3244 ANGLE = 262.6421 DIHED = 765.1395 VDWAALS = -1448.1260 EEL = -10912.8586 EGB = -2542.0944 1-4 VDW = 489.1752 1-4 EEL = 5259.7886 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 186 -8.0230E+03 5.0030E-01 8.5698E+00 CG2 2256 BOND = 104.6260 ANGLE = 263.1046 DIHED = 764.7686 VDWAALS = -1447.9894 EEL = -10913.9944 EGB = -2542.1429 1-4 VDW = 488.7807 1-4 EEL = 5259.8355 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 187 -8.0230E+03 5.0402E-01 8.6944E+00 CG 174 BOND = 104.6333 ANGLE = 263.1098 DIHED = 764.7662 VDWAALS = -1447.9882 EEL = -10914.0029 EGB = -2542.1433 1-4 VDW = 488.7779 1-4 EEL = 5259.8359 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 188 -8.0241E+03 4.2531E-01 6.5985E+00 HB 2255 BOND = 105.1678 ANGLE = 262.0401 DIHED = 764.3248 VDWAALS = -1447.4195 EEL = -10914.9984 EGB = -2541.8824 1-4 VDW = 488.2132 1-4 EEL = 5260.4546 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 189 -8.0241E+03 4.5852E-01 6.9430E+00 HB 2255 BOND = 105.2573 ANGLE = 261.9796 DIHED = 764.2956 VDWAALS = -1447.3702 EEL = -10915.0808 EGB = -2541.8614 1-4 VDW = 488.1678 1-4 EEL = 5260.5058 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 190 -8.0249E+03 4.8845E-01 7.8316E+00 CG 174 BOND = 106.1818 ANGLE = 260.4951 DIHED = 764.0729 VDWAALS = -1446.7332 EEL = -10916.1229 EGB = -2541.3780 1-4 VDW = 487.4562 1-4 EEL = 5261.1124 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 191 -8.0249E+03 4.3552E-01 6.3640E+00 CG 174 BOND = 106.0276 ANGLE = 260.6220 DIHED = 764.0890 VDWAALS = -1446.8011 EEL = -10916.0149 EGB = -2541.4271 1-4 VDW = 487.5285 1-4 EEL = 5261.0497 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 192 -8.0257E+03 4.0396E-01 9.3348E+00 CB 2254 BOND = 106.4203 ANGLE = 260.2976 DIHED = 764.0396 VDWAALS = -1446.4545 EEL = -10916.9802 EGB = -2541.3154 1-4 VDW = 487.0312 1-4 EEL = 5261.2784 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 193 -8.0257E+03 4.0889E-01 9.4740E+00 CB 2254 BOND = 106.4313 ANGLE = 260.2960 DIHED = 764.0394 VDWAALS = -1446.4500 EEL = -10916.9922 EGB = -2541.3141 1-4 VDW = 487.0252 1-4 EEL = 5261.2812 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 194 -8.0265E+03 3.7400E-01 5.6556E+00 CB 2254 BOND = 106.6011 ANGLE = 260.6444 DIHED = 763.9159 VDWAALS = -1446.5351 EEL = -10917.7569 EGB = -2541.3028 1-4 VDW = 486.8545 1-4 EEL = 5261.0393 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 195 -8.0266E+03 4.9000E-01 7.3485E+00 CG 174 BOND = 106.8194 ANGLE = 260.8496 DIHED = 763.8838 VDWAALS = -1446.5585 EEL = -10918.0444 EGB = -2541.3014 1-4 VDW = 486.7938 1-4 EEL = 5260.9499 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 196 -8.0276E+03 4.1220E-01 6.8102E+00 CB 2254 BOND = 106.4697 ANGLE = 261.6348 DIHED = 763.6476 VDWAALS = -1447.1788 EEL = -10917.9563 EGB = -2541.4080 1-4 VDW = 486.7116 1-4 EEL = 5260.4396 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 197 -8.0277E+03 4.5771E-01 8.1409E+00 CB 2254 BOND = 106.4945 ANGLE = 261.7645 DIHED = 763.6260 VDWAALS = -1447.2486 EEL = -10917.9476 EGB = -2541.4225 1-4 VDW = 486.7032 1-4 EEL = 5260.3788 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 198 -8.0284E+03 5.0677E-01 1.1869E+01 CG 174 BOND = 105.7822 ANGLE = 263.5219 DIHED = 763.4069 VDWAALS = -1447.7493 EEL = -10919.1051 EGB = -2541.1973 1-4 VDW = 486.6475 1-4 EEL = 5260.2737 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 199 -8.0284E+03 4.3066E-01 9.1028E+00 CG 174 BOND = 105.7919 ANGLE = 263.2417 DIHED = 763.4334 VDWAALS = -1447.6832 EEL = -10918.9393 EGB = -2541.2275 1-4 VDW = 486.6542 1-4 EEL = 5260.2879 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 200 -8.0291E+03 5.1712E-01 8.3810E+00 CG 1464 BOND = 105.5006 ANGLE = 264.4267 DIHED = 763.1794 VDWAALS = -1448.0692 EEL = -10919.9191 EGB = -2541.3126 1-4 VDW = 486.6645 1-4 EEL = 5260.4269 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 201 -8.0292E+03 4.9457E-01 7.6233E+00 CG 1464 BOND = 105.4862 ANGLE = 264.3749 DIHED = 763.1737 VDWAALS = -1448.0580 EEL = -10919.9384 EGB = -2541.2946 1-4 VDW = 486.6641 1-4 EEL = 5260.4368 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 202 -8.0292E+03 4.6913E-01 6.7599E+00 CG 1464 BOND = 105.4719 ANGLE = 264.3126 DIHED = 763.1668 VDWAALS = -1448.0445 EEL = -10919.9613 EGB = -2541.2734 1-4 VDW = 486.6636 1-4 EEL = 5260.4489 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 203 -8.0293E+03 4.4100E-01 5.7938E+00 CG 1464 BOND = 105.4586 ANGLE = 264.2379 DIHED = 763.1583 VDWAALS = -1448.0282 EEL = -10919.9883 EGB = -2541.2487 1-4 VDW = 486.6630 1-4 EEL = 5260.4637 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 204 -8.0294E+03 4.1076E-01 4.9546E+00 HB 2255 BOND = 105.4476 ANGLE = 264.1485 DIHED = 763.1479 VDWAALS = -1448.0085 EEL = -10920.0200 EGB = -2541.2201 1-4 VDW = 486.6623 1-4 EEL = 5260.4821 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 205 -8.0299E+03 3.7649E-01 7.7290E+00 CG 1464 BOND = 105.6880 ANGLE = 263.0272 DIHED = 763.0116 VDWAALS = -1447.7403 EEL = -10920.4390 EGB = -2540.8535 1-4 VDW = 486.6558 1-4 EEL = 5260.7391 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 206 -8.0299E+03 4.1660E-01 9.1446E+00 CG 1464 BOND = 105.7597 ANGLE = 262.9111 DIHED = 762.9969 VDWAALS = -1447.7095 EEL = -10920.4866 EGB = -2540.8120 1-4 VDW = 486.6553 1-4 EEL = 5260.7682 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 207 -8.0306E+03 3.5296E-01 6.4990E+00 CB 2254 BOND = 105.9108 ANGLE = 261.7536 DIHED = 762.8291 VDWAALS = -1447.4134 EEL = -10920.8145 EGB = -2540.7046 1-4 VDW = 486.6570 1-4 EEL = 5261.1787 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 208 -8.0306E+03 4.3635E-01 8.0573E+00 CG 1464 BOND = 106.0583 ANGLE = 261.4733 DIHED = 762.7881 VDWAALS = -1447.3282 EEL = -10920.9064 EGB = -2540.6753 1-4 VDW = 486.6592 1-4 EEL = 5261.2935 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 209 -8.0315E+03 3.6795E-01 4.4443E+00 OD2 2547 BOND = 106.0501 ANGLE = 260.6722 DIHED = 762.6071 VDWAALS = -1446.8489 EEL = -10922.2628 EGB = -2540.2265 1-4 VDW = 486.6397 1-4 EEL = 5261.8754 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 210 -8.0315E+03 4.3678E-01 6.7994E+00 CG 174 BOND = 106.1390 ANGLE = 260.5520 DIHED = 762.5769 VDWAALS = -1446.7423 EEL = -10922.5538 EGB = -2540.1312 1-4 VDW = 486.6379 1-4 EEL = 5262.0002 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 211 -8.0322E+03 4.7519E-01 8.4085E+00 CB 2254 BOND = 106.3438 ANGLE = 259.5268 DIHED = 762.2583 VDWAALS = -1446.7042 EEL = -10922.7912 EGB = -2539.8356 1-4 VDW = 486.8112 1-4 EEL = 5262.2259 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 212 -8.0322E+03 3.5977E-01 7.6994E+00 CB 2254 BOND = 106.1772 ANGLE = 259.6922 DIHED = 762.3189 VDWAALS = -1446.7165 EEL = -10922.7392 EGB = -2539.8990 1-4 VDW = 486.7712 1-4 EEL = 5262.1767 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 213 -8.0328E+03 3.0847E-01 4.0176E+00 HB 2255 BOND = 105.9619 ANGLE = 259.7342 DIHED = 762.1247 VDWAALS = -1446.8791 EEL = -10922.9045 EGB = -2539.7819 1-4 VDW = 487.0174 1-4 EEL = 5261.9372 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 214 -8.0328E+03 3.7323E-01 5.1791E+00 CG 174 BOND = 105.9874 ANGLE = 259.7732 DIHED = 762.0837 VDWAALS = -1446.9158 EEL = -10922.9450 EGB = -2539.7540 1-4 VDW = 487.0785 1-4 EEL = 5261.8792 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 215 -8.0335E+03 3.9215E-01 5.3996E+00 CG 174 BOND = 105.3936 ANGLE = 260.6316 DIHED = 761.9984 VDWAALS = -1447.2911 EEL = -10923.1420 EGB = -2539.8067 1-4 VDW = 487.4026 1-4 EEL = 5261.3484 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 216 -8.0335E+03 4.2875E-01 6.4275E+00 CG 174 BOND = 105.3708 ANGLE = 260.7320 DIHED = 761.9944 VDWAALS = -1447.3258 EEL = -10923.1615 EGB = -2539.8122 1-4 VDW = 487.4348 1-4 EEL = 5261.2968 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 217 -8.0343E+03 3.3942E-01 4.5405E+00 CG2 2256 BOND = 105.0403 ANGLE = 260.9847 DIHED = 761.9564 VDWAALS = -1447.6960 EEL = -10923.6052 EGB = -2539.4963 1-4 VDW = 487.6568 1-4 EEL = 5260.8836 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 218 -8.0343E+03 4.1573E-01 6.8687E+00 CG 174 BOND = 105.0492 ANGLE = 261.1127 DIHED = 761.9606 VDWAALS = -1447.7891 EEL = -10923.7281 EGB = -2539.4111 1-4 VDW = 487.7200 1-4 EEL = 5260.7713 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 219 -8.0349E+03 4.7463E-01 9.8947E+00 CG 174 BOND = 104.7463 ANGLE = 260.3518 DIHED = 761.8283 VDWAALS = -1447.8101 EEL = -10923.9433 EGB = -2538.8738 1-4 VDW = 487.8700 1-4 EEL = 5260.8915 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 220 -8.0350E+03 3.8206E-01 6.8781E+00 CG 174 BOND = 104.7024 ANGLE = 260.4547 DIHED = 761.8458 VDWAALS = -1447.8118 EEL = -10923.9034 EGB = -2538.9698 1-4 VDW = 487.8415 1-4 EEL = 5260.8696 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 221 -8.0356E+03 3.5618E-01 6.4994E+00 CG2 2256 BOND = 104.6622 ANGLE = 259.6371 DIHED = 761.6920 VDWAALS = -1447.6243 EEL = -10924.2687 EGB = -2538.6056 1-4 VDW = 487.7963 1-4 EEL = 5261.1545 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 222 -8.0356E+03 3.7248E-01 6.7912E+00 CG2 2256 BOND = 104.6771 ANGLE = 259.6056 DIHED = 761.6865 VDWAALS = -1447.6143 EEL = -10924.2863 EGB = -2538.5886 1-4 VDW = 487.7944 1-4 EEL = 5261.1680 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 223 -8.0362E+03 3.4346E-01 5.6931E+00 CG 174 BOND = 105.0756 ANGLE = 258.7280 DIHED = 761.5713 VDWAALS = -1447.3266 EEL = -10925.1559 EGB = -2538.1768 1-4 VDW = 487.5428 1-4 EEL = 5261.5734 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 224 -8.0362E+03 3.7326E-01 6.8348E+00 CG 174 BOND = 105.1421 ANGLE = 258.6632 DIHED = 761.5651 VDWAALS = -1447.2979 EEL = -10925.2364 EGB = -2538.1395 1-4 VDW = 487.5200 1-4 EEL = 5261.6108 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 225 -8.0367E+03 5.3350E-01 7.9236E+00 CG 174 BOND = 105.7939 ANGLE = 257.9594 DIHED = 761.3608 VDWAALS = -1447.1441 EEL = -10926.0734 EGB = -2537.7540 1-4 VDW = 487.2821 1-4 EEL = 5261.8591 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 226 -8.0368E+03 5.0290E-01 7.0826E+00 CG 174 BOND = 105.7308 ANGLE = 257.9761 DIHED = 761.3554 VDWAALS = -1447.1448 EEL = -10926.0827 EGB = -2537.7587 1-4 VDW = 487.2886 1-4 EEL = 5261.8561 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 227 -8.0368E+03 4.6831E-01 6.1319E+00 CG2 2256 BOND = 105.6602 ANGLE = 257.9973 DIHED = 761.3487 VDWAALS = -1447.1461 EEL = -10926.0938 EGB = -2537.7646 1-4 VDW = 487.2964 1-4 EEL = 5261.8519 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 228 -8.0369E+03 4.3012E-01 5.5904E+00 CG2 2256 BOND = 105.5825 ANGLE = 258.0244 DIHED = 761.3403 VDWAALS = -1447.1483 EEL = -10926.1073 EGB = -2537.7718 1-4 VDW = 487.3060 1-4 EEL = 5261.8459 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 229 -8.0370E+03 3.8941E-01 4.9460E+00 CG2 2256 BOND = 105.4989 ANGLE = 258.0590 DIHED = 761.3296 VDWAALS = -1447.1522 EEL = -10926.1238 EGB = -2537.7807 1-4 VDW = 487.3176 1-4 EEL = 5261.8373 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 230 -8.0374E+03 4.1075E-01 8.0785E+00 CG 174 BOND = 104.9945 ANGLE = 258.6165 DIHED = 761.2072 VDWAALS = -1447.2137 EEL = -10926.3289 EGB = -2537.8937 1-4 VDW = 487.4613 1-4 EEL = 5261.7105 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 231 -8.0375E+03 3.5859E-01 6.6443E+00 CG 174 BOND = 105.0098 ANGLE = 258.5372 DIHED = 761.2200 VDWAALS = -1447.2066 EEL = -10926.3044 EGB = -2537.8800 1-4 VDW = 487.4439 1-4 EEL = 5261.7257 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 232 -8.0379E+03 2.6327E-01 5.0341E+00 CG2 2256 BOND = 104.8282 ANGLE = 259.0605 DIHED = 761.0785 VDWAALS = -1447.4035 EEL = -10926.5042 EGB = -2537.9805 1-4 VDW = 487.5360 1-4 EEL = 5261.4416 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 233 -8.0380E+03 3.4151E-01 6.4340E+00 CG 174 BOND = 104.8394 ANGLE = 259.3302 DIHED = 761.0348 VDWAALS = -1447.4830 EEL = -10926.5870 EGB = -2538.0232 1-4 VDW = 487.5756 1-4 EEL = 5261.3239 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 234 -8.0385E+03 3.4869E-01 6.5466E+00 CG 174 BOND = 104.9094 ANGLE = 260.0255 DIHED = 760.8894 VDWAALS = -1447.5893 EEL = -10927.2386 EGB = -2538.0422 1-4 VDW = 487.4643 1-4 EEL = 5261.1008 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 235 -8.0385E+03 3.4968E-01 6.5833E+00 CG 174 BOND = 104.9105 ANGLE = 260.0279 DIHED = 760.8891 VDWAALS = -1447.5896 EEL = -10927.2404 EGB = -2538.0423 1-4 VDW = 487.4640 1-4 EEL = 5261.1002 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 236 -8.0390E+03 3.4416E-01 5.6801E+00 CG2 2256 BOND = 105.0359 ANGLE = 260.4030 DIHED = 760.6695 VDWAALS = -1447.4896 EEL = -10927.8815 EGB = -2538.0897 1-4 VDW = 487.1925 1-4 EEL = 5261.1318 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 237 -8.0390E+03 3.8190E-01 6.8953E+00 CG 174 BOND = 105.0893 ANGLE = 260.4604 DIHED = 760.6469 VDWAALS = -1447.4769 EEL = -10927.9557 EGB = -2538.0953 1-4 VDW = 487.1618 1-4 EEL = 5261.1355 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 238 -8.0397E+03 3.1213E-01 4.6777E+00 HB 2255 BOND = 105.2641 ANGLE = 259.9017 DIHED = 760.3477 VDWAALS = -1447.0726 EEL = -10928.5788 EGB = -2537.9030 1-4 VDW = 486.7695 1-4 EEL = 5261.5993 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 239 -8.0397E+03 3.5864E-01 5.5094E+00 CG 174 BOND = 105.3432 ANGLE = 259.8392 DIHED = 760.3062 VDWAALS = -1447.0025 EEL = -10928.6828 EGB = -2537.8713 1-4 VDW = 486.7054 1-4 EEL = 5261.6769 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 240 -8.0401E+03 4.0943E-01 7.2713E+00 CG 174 BOND = 106.1100 ANGLE = 258.7989 DIHED = 760.1274 VDWAALS = -1446.5566 EEL = -10929.4964 EGB = -2537.4479 1-4 VDW = 486.1648 1-4 EEL = 5262.1849 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 241 -8.0401E+03 3.1662E-01 4.6386E+00 CG 174 BOND = 105.8786 ANGLE = 258.9796 DIHED = 760.1555 VDWAALS = -1446.6509 EEL = -10929.3290 EGB = -2537.5346 1-4 VDW = 486.2747 1-4 EEL = 5262.0801 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 242 -8.0406E+03 2.7117E-01 6.1177E+00 CB 2254 BOND = 105.9575 ANGLE = 258.9553 DIHED = 760.1308 VDWAALS = -1446.4515 EEL = -10929.8859 EGB = -2537.4440 1-4 VDW = 485.9611 1-4 EEL = 5262.2223 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 243 -8.0406E+03 3.0702E-01 7.2126E+00 CB 2254 BOND = 106.0042 ANGLE = 258.9650 DIHED = 760.1296 VDWAALS = -1446.4216 EEL = -10929.9665 EGB = -2537.4311 1-4 VDW = 485.9162 1-4 EEL = 5262.2430 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 244 -8.0411E+03 2.8684E-01 4.2864E+00 CB 2254 BOND = 105.9529 ANGLE = 259.3520 DIHED = 760.0355 VDWAALS = -1446.4353 EEL = -10930.3503 EGB = -2537.4134 1-4 VDW = 485.7692 1-4 EEL = 5262.0299 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 245 -8.0411E+03 3.7389E-01 5.4250E+00 CG 174 BOND = 106.0201 ANGLE = 259.5344 DIHED = 760.0091 VDWAALS = -1446.4371 EEL = -10930.4876 EGB = -2537.4076 1-4 VDW = 485.7180 1-4 EEL = 5261.9539 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 246 -8.0417E+03 3.1922E-01 5.5147E+00 CB 2254 BOND = 105.9521 ANGLE = 260.0255 DIHED = 759.8127 VDWAALS = -1446.8312 EEL = -10930.2392 EGB = -2537.4848 1-4 VDW = 485.6114 1-4 EEL = 5261.4603 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 247 -8.0417E+03 3.5440E-01 6.5567E+00 CB 2254 BOND = 105.9818 ANGLE = 260.1042 DIHED = 759.7930 VDWAALS = -1446.8764 EEL = -10930.2096 EGB = -2537.4944 1-4 VDW = 485.5995 1-4 EEL = 5261.4020 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 248 -8.0422E+03 3.7993E-01 7.9425E+00 CG 174 BOND = 105.6242 ANGLE = 261.2973 DIHED = 759.6311 VDWAALS = -1447.1855 EEL = -10930.7380 EGB = -2537.3571 1-4 VDW = 485.4670 1-4 EEL = 5261.0693 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 249 -8.0422E+03 3.4344E-01 6.6965E+00 CG 174 BOND = 105.6225 ANGLE = 261.1749 DIHED = 759.6442 VDWAALS = -1447.1579 EEL = -10930.6895 EGB = -2537.3694 1-4 VDW = 485.4788 1-4 EEL = 5261.0997 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 250 -8.0426E+03 4.4535E-01 6.0143E+00 CG 174 BOND = 105.4203 ANGLE = 262.0834 DIHED = 759.4446 VDWAALS = -1447.4286 EEL = -10931.1775 EGB = -2537.3949 1-4 VDW = 485.3984 1-4 EEL = 5261.0290 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 251 -8.0427E+03 4.2065E-01 5.3161E+00 CG 174 BOND = 105.4118 ANGLE = 262.0316 DIHED = 759.4388 VDWAALS = -1447.4183 EEL = -10931.1958 EGB = -2537.3782 1-4 VDW = 485.3987 1-4 EEL = 5261.0389 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 252 -8.0427E+03 3.9307E-01 4.5392E+00 CG 1464 BOND = 105.4048 ANGLE = 261.9694 DIHED = 759.4317 VDWAALS = -1447.4058 EEL = -10931.2174 EGB = -2537.3587 1-4 VDW = 485.3990 1-4 EEL = 5261.0512 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 253 -8.0428E+03 3.6310E-01 4.1376E+00 HB 2255 BOND = 105.4005 ANGLE = 261.8947 DIHED = 759.4230 VDWAALS = -1447.3908 EEL = -10931.2428 EGB = -2537.3358 1-4 VDW = 485.3995 1-4 EEL = 5261.0666 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 254 -8.0429E+03 3.3176E-01 3.9108E+00 HB 2255 BOND = 105.4002 ANGLE = 261.8053 DIHED = 759.4125 VDWAALS = -1447.3728 EEL = -10931.2723 EGB = -2537.3095 1-4 VDW = 485.4002 1-4 EEL = 5261.0859 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 255 -8.0432E+03 4.6039E-01 9.3276E+00 CG 174 BOND = 105.9380 ANGLE = 260.5193 DIHED = 759.2521 VDWAALS = -1447.0826 EEL = -10931.7270 EGB = -2536.9149 1-4 VDW = 485.4156 1-4 EEL = 5261.4091 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 256 -8.0432E+03 3.3925E-01 6.3948E+00 CG 174 BOND = 105.7141 ANGLE = 260.8063 DIHED = 759.2891 VDWAALS = -1447.1538 EEL = -10931.6166 EGB = -2537.0103 1-4 VDW = 485.4113 1-4 EEL = 5261.3307 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 257 -8.0437E+03 2.9225E-01 5.0253E+00 CB 2254 BOND = 105.8019 ANGLE = 259.9237 DIHED = 759.1656 VDWAALS = -1446.9463 EEL = -10931.8477 EGB = -2536.9048 1-4 VDW = 485.4345 1-4 EEL = 5261.6946 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 258 -8.0437E+03 3.4610E-01 6.0019E+00 CG 174 BOND = 105.8735 ANGLE = 259.7617 DIHED = 759.1429 VDWAALS = -1446.9019 EEL = -10931.8961 EGB = -2536.8831 1-4 VDW = 485.4401 1-4 EEL = 5261.7706 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 259 -8.0442E+03 3.0009E-01 3.8391E+00 CG 174 BOND = 105.7888 ANGLE = 259.2125 DIHED = 759.0316 VDWAALS = -1446.5862 EEL = -10932.7925 EGB = -2536.5504 1-4 VDW = 485.4487 1-4 EEL = 5262.2244 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 260 -8.0442E+03 3.4286E-01 5.3819E+00 CG 174 BOND = 105.8179 ANGLE = 259.1511 DIHED = 759.0182 VDWAALS = -1446.5352 EEL = -10932.9332 EGB = -2536.4986 1-4 VDW = 485.4512 1-4 EEL = 5262.2956 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 261 -8.0446E+03 3.6312E-01 6.3442E+00 CB 2254 BOND = 106.0545 ANGLE = 258.3530 DIHED = 758.8020 VDWAALS = -1446.6172 EEL = -10932.9146 EGB = -2536.3328 1-4 VDW = 485.6089 1-4 EEL = 5262.4116 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 262 -8.0447E+03 2.8236E-01 5.9209E+00 CB 2254 BOND = 105.9395 ANGLE = 258.4809 DIHED = 758.8405 VDWAALS = -1446.6026 EEL = -10932.9183 EGB = -2536.3656 1-4 VDW = 485.5761 1-4 EEL = 5262.3883 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 263 -8.0450E+03 2.4358E-01 3.3294E+00 HB 2255 BOND = 105.8243 ANGLE = 258.4720 DIHED = 758.6983 VDWAALS = -1446.7584 EEL = -10932.8838 EGB = -2536.3129 1-4 VDW = 485.7833 1-4 EEL = 5262.1639 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 264 -8.0450E+03 2.9580E-01 4.2310E+00 CG 174 BOND = 105.8448 ANGLE = 258.4878 DIHED = 758.6669 VDWAALS = -1446.7957 EEL = -10932.8752 EGB = -2536.3001 1-4 VDW = 485.8355 1-4 EEL = 5262.1084 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 265 -8.0454E+03 3.0491E-01 4.2799E+00 HB 2255 BOND = 105.3702 ANGLE = 259.1200 DIHED = 758.6138 VDWAALS = -1447.1191 EEL = -10932.7594 EGB = -2536.4173 1-4 VDW = 486.0816 1-4 EEL = 5261.6644 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 266 -8.0455E+03 3.4823E-01 5.4442E+00 CG 174 BOND = 105.3315 ANGLE = 259.2324 DIHED = 758.6102 VDWAALS = -1447.1669 EEL = -10932.7418 EGB = -2536.4354 1-4 VDW = 486.1197 1-4 EEL = 5261.5972 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 267 -8.0460E+03 2.7260E-01 3.6461E+00 CG2 2256 BOND = 105.1246 ANGLE = 259.3691 DIHED = 758.5882 VDWAALS = -1447.5206 EEL = -10932.8175 EGB = -2536.2200 1-4 VDW = 486.3074 1-4 EEL = 5261.1897 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 268 -8.0460E+03 3.3731E-01 5.6969E+00 CG 174 BOND = 105.1330 ANGLE = 259.4498 DIHED = 758.5923 VDWAALS = -1447.6204 EEL = -10932.8398 EGB = -2536.1575 1-4 VDW = 486.3643 1-4 EEL = 5261.0709 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 269 -8.0464E+03 3.8382E-01 7.9389E+00 CG 174 BOND = 104.9740 ANGLE = 258.7666 DIHED = 758.4857 VDWAALS = -1447.7897 EEL = -10932.6105 EGB = -2535.8099 1-4 VDW = 486.5237 1-4 EEL = 5261.0426 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 270 -8.0464E+03 3.0917E-01 5.4966E+00 CG 174 BOND = 104.9388 ANGLE = 258.8661 DIHED = 758.5003 VDWAALS = -1447.7612 EEL = -10932.6517 EGB = -2535.8718 1-4 VDW = 486.4941 1-4 EEL = 5261.0474 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 271 -8.0468E+03 2.8958E-01 4.9503E+00 CG2 2256 BOND = 104.8215 ANGLE = 258.2602 DIHED = 758.3780 VDWAALS = -1447.7170 EEL = -10932.7275 EGB = -2535.5767 1-4 VDW = 486.4842 1-4 EEL = 5261.2520 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 272 -8.0468E+03 3.0720E-01 5.4000E+00 CG 174 BOND = 104.8286 ANGLE = 258.2284 DIHED = 758.3720 VDWAALS = -1447.7137 EEL = -10932.7323 EGB = -2535.5582 1-4 VDW = 486.4838 1-4 EEL = 5261.2650 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 273 -8.0473E+03 2.8222E-01 4.3461E+00 CG 174 BOND = 105.0288 ANGLE = 257.5362 DIHED = 758.2756 VDWAALS = -1447.6493 EEL = -10933.0699 EGB = -2535.2421 1-4 VDW = 486.3151 1-4 EEL = 5261.5506 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 274 -8.0473E+03 3.1355E-01 5.5007E+00 CG 174 BOND = 105.0790 ANGLE = 257.4686 DIHED = 758.2684 VDWAALS = -1447.6409 EEL = -10933.1100 EGB = -2535.2050 1-4 VDW = 486.2954 1-4 EEL = 5261.5847 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 275 -8.0477E+03 4.5376E-01 6.3111E+00 CG 174 BOND = 105.6037 ANGLE = 256.9282 DIHED = 758.0992 VDWAALS = -1447.7464 EEL = -10933.5415 EGB = -2534.8599 1-4 VDW = 486.1342 1-4 EEL = 5261.7102 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 276 -8.0477E+03 4.2379E-01 5.5223E+00 CG 174 BOND = 105.5474 ANGLE = 256.9456 DIHED = 758.0942 VDWAALS = -1447.7474 EEL = -10933.5442 EGB = -2534.8671 1-4 VDW = 486.1404 1-4 EEL = 5261.7055 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 277 -8.0478E+03 3.9034E-01 4.6353E+00 CG 174 BOND = 105.4850 ANGLE = 256.9677 DIHED = 758.0880 VDWAALS = -1447.7492 EEL = -10933.5476 EGB = -2534.8758 1-4 VDW = 486.1480 1-4 EEL = 5261.6992 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 278 -8.0478E+03 3.5414E-01 4.3097E+00 HG21 2257 BOND = 105.4173 ANGLE = 256.9958 DIHED = 758.0802 VDWAALS = -1447.7521 EEL = -10933.5522 EGB = -2534.8863 1-4 VDW = 486.1571 1-4 EEL = 5261.6905 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 279 -8.0479E+03 3.1678E-01 4.0690E+00 HG21 2257 BOND = 105.3461 ANGLE = 257.0318 DIHED = 758.0702 VDWAALS = -1447.7568 EEL = -10933.5586 EGB = -2534.8990 1-4 VDW = 486.1681 1-4 EEL = 5261.6783 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 280 -8.0482E+03 5.0560E-01 9.6999E+00 CG 174 BOND = 104.9539 ANGLE = 257.7605 DIHED = 757.9381 VDWAALS = -1447.8471 EEL = -10933.6713 EGB = -2535.0888 1-4 VDW = 486.3319 1-4 EEL = 5261.4657 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 281 -8.0482E+03 3.1297E-01 5.4463E+00 CG 174 BOND = 104.9631 ANGLE = 257.4710 DIHED = 757.9767 VDWAALS = -1447.8169 EEL = -10933.6324 EGB = -2535.0229 1-4 VDW = 486.2748 1-4 EEL = 5261.5389 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 282 -8.0486E+03 2.4563E-01 4.4184E+00 CG2 2256 BOND = 104.8955 ANGLE = 257.9967 DIHED = 757.8567 VDWAALS = -1448.0061 EEL = -10933.8244 EGB = -2535.1195 1-4 VDW = 486.3398 1-4 EEL = 5261.2332 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 283 -8.0486E+03 2.9033E-01 5.2535E+00 CG 174 BOND = 104.9189 ANGLE = 258.1316 DIHED = 757.8380 VDWAALS = -1448.0454 EEL = -10933.8652 EGB = -2535.1405 1-4 VDW = 486.3543 1-4 EEL = 5261.1683 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 284 -8.0490E+03 2.8666E-01 5.1119E+00 CG 174 BOND = 105.0441 ANGLE = 258.6486 DIHED = 757.7326 VDWAALS = -1448.1291 EEL = -10934.3354 EGB = -2535.1878 1-4 VDW = 486.2414 1-4 EEL = 5260.9862 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 285 -8.0490E+03 3.0232E-01 5.6939E+00 CG 174 BOND = 105.0634 ANGLE = 258.6829 DIHED = 757.7278 VDWAALS = -1448.1334 EEL = -10934.3618 EGB = -2535.1906 1-4 VDW = 486.2353 1-4 EEL = 5260.9760 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 286 -8.0494E+03 2.9135E-01 4.6420E+00 CG 174 BOND = 105.1242 ANGLE = 258.9722 DIHED = 757.5504 VDWAALS = -1448.0437 EEL = -10934.8772 EGB = -2535.2027 1-4 VDW = 486.0027 1-4 EEL = 5261.0589 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 287 -8.0494E+03 3.3532E-01 6.3300E+00 CG 174 BOND = 105.1737 ANGLE = 259.0343 DIHED = 757.5245 VDWAALS = -1448.0278 EEL = -10934.9612 EGB = -2535.2048 1-4 VDW = 485.9655 1-4 EEL = 5261.0724 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 288 -8.0499E+03 2.7270E-01 4.1731E+00 HB 2255 BOND = 105.2921 ANGLE = 258.5620 DIHED = 757.2809 VDWAALS = -1447.7015 EEL = -10935.4770 EGB = -2535.0174 1-4 VDW = 485.6331 1-4 EEL = 5261.5233 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 289 -8.0499E+03 3.0856E-01 5.0705E+00 CG 174 BOND = 105.3429 ANGLE = 258.5133 DIHED = 757.2513 VDWAALS = -1447.6522 EEL = -10935.5521 EGB = -2534.9904 1-4 VDW = 485.5858 1-4 EEL = 5261.5891 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 290 -8.0502E+03 3.4395E-01 6.4658E+00 CG 174 BOND = 105.9716 ANGLE = 257.7122 DIHED = 757.1213 VDWAALS = -1447.3580 EEL = -10936.2292 EGB = -2534.6090 1-4 VDW = 485.1608 1-4 EEL = 5262.0013 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 291 -8.0502E+03 2.7045E-01 4.2206E+00 CG 174 BOND = 105.7986 ANGLE = 257.8456 DIHED = 757.1408 VDWAALS = -1447.4168 EEL = -10936.0975 EGB = -2534.6828 1-4 VDW = 485.2425 1-4 EEL = 5261.9210 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 292 -8.0505E+03 2.3327E-01 5.2286E+00 CB 2254 BOND = 105.7996 ANGLE = 257.9258 DIHED = 757.1284 VDWAALS = -1447.2977 EEL = -10936.5378 EGB = -2534.5940 1-4 VDW = 484.9976 1-4 EEL = 5262.0305 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 293 -8.0506E+03 2.6879E-01 6.2340E+00 CB 2254 BOND = 105.8296 ANGLE = 257.9505 DIHED = 757.1283 VDWAALS = -1447.2769 EEL = -10936.6121 EGB = -2534.5791 1-4 VDW = 484.9567 1-4 EEL = 5262.0490 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 294 -8.0509E+03 2.4906E-01 3.3539E+00 CB 2254 BOND = 105.7282 ANGLE = 258.3324 DIHED = 757.0455 VDWAALS = -1447.3262 EEL = -10936.8517 EGB = -2534.5624 1-4 VDW = 484.8352 1-4 EEL = 5261.8608 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 295 -8.0510E+03 3.2351E-01 4.6620E+00 CG 174 BOND = 105.7565 ANGLE = 258.5018 DIHED = 757.0221 VDWAALS = -1447.3415 EEL = -10936.9363 EGB = -2534.5570 1-4 VDW = 484.7934 1-4 EEL = 5261.7946 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 296 -8.0514E+03 2.8726E-01 5.0898E+00 CB 2254 BOND = 105.7686 ANGLE = 258.9161 DIHED = 756.8567 VDWAALS = -1447.7062 EEL = -10936.7029 EGB = -2534.5961 1-4 VDW = 484.7038 1-4 EEL = 5261.3542 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 297 -8.0514E+03 3.0451E-01 5.5536E+00 CB 2254 BOND = 105.7846 ANGLE = 258.9503 DIHED = 756.8478 VDWAALS = -1447.7284 EEL = -10936.6883 EGB = -2534.5987 1-4 VDW = 484.6985 1-4 EEL = 5261.3268 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 298 -8.0518E+03 3.1406E-01 7.1322E+00 CG 2018 BOND = 105.5428 ANGLE = 259.9051 DIHED = 756.7402 VDWAALS = -1448.0042 EEL = -10937.0446 EGB = -2534.5253 1-4 VDW = 484.5824 1-4 EEL = 5261.0233 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 299 -8.0518E+03 2.9752E-01 6.4955E+00 CG 2018 BOND = 105.5412 ANGLE = 259.8509 DIHED = 756.7450 VDWAALS = -1447.9904 EEL = -10937.0263 EGB = -2534.5289 1-4 VDW = 484.5882 1-4 EEL = 5261.0388 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 300 -8.0521E+03 3.9829E-01 6.6898E+00 CG 2018 BOND = 105.3660 ANGLE = 260.5433 DIHED = 756.5969 VDWAALS = -1448.2111 EEL = -10937.4319 EGB = -2534.4973 1-4 VDW = 484.5072 1-4 EEL = 5260.9944 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 301 -8.0522E+03 3.7289E-01 5.8612E+00 CG 2018 BOND = 105.3611 ANGLE = 260.4925 DIHED = 756.5911 VDWAALS = -1448.2021 EEL = -10937.4464 EGB = -2534.4834 1-4 VDW = 484.5079 1-4 EEL = 5261.0039 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 302 -8.0522E+03 3.4481E-01 4.9333E+00 CG 2018 BOND = 105.3584 ANGLE = 260.4314 DIHED = 756.5842 VDWAALS = -1448.1913 EEL = -10937.4637 EGB = -2534.4670 1-4 VDW = 484.5088 1-4 EEL = 5261.0159 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 303 -8.0523E+03 3.1477E-01 3.9241E+00 CG 2018 BOND = 105.3591 ANGLE = 260.3581 DIHED = 756.5757 VDWAALS = -1448.1782 EEL = -10937.4843 EGB = -2534.4477 1-4 VDW = 484.5101 1-4 EEL = 5261.0311 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 304 -8.0523E+03 2.8416E-01 3.5304E+00 HG21 2257 BOND = 105.3644 ANGLE = 260.2707 DIHED = 756.5654 VDWAALS = -1448.1624 EEL = -10937.5086 EGB = -2534.4252 1-4 VDW = 484.5117 1-4 EEL = 5261.0505 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 305 -8.0525E+03 5.3901E-01 1.2514E+01 CG 2018 BOND = 106.1231 ANGLE = 258.8702 DIHED = 756.3910 VDWAALS = -1447.8699 EEL = -10937.9493 EGB = -2534.0361 1-4 VDW = 484.5471 1-4 EEL = 5261.4298 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 306 -8.0526E+03 2.9980E-01 6.2883E+00 CG 2018 BOND = 105.6630 ANGLE = 259.3927 DIHED = 756.4579 VDWAALS = -1447.9893 EEL = -10937.7710 EGB = -2534.1929 1-4 VDW = 484.5318 1-4 EEL = 5261.2764 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 307 -8.0530E+03 2.6027E-01 4.1447E+00 CB 2254 BOND = 105.7054 ANGLE = 258.6798 DIHED = 756.3640 VDWAALS = -1447.8223 EEL = -10938.0272 EGB = -2534.0658 1-4 VDW = 484.5628 1-4 EEL = 5261.6235 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 308 -8.0530E+03 3.0386E-01 5.7006E+00 CG 2018 BOND = 105.7507 ANGLE = 258.5621 DIHED = 756.3486 VDWAALS = -1447.7903 EEL = -10938.0753 EGB = -2534.0423 1-4 VDW = 484.5692 1-4 EEL = 5261.6885 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 309 -8.0534E+03 2.6489E-01 3.5005E+00 CG 174 BOND = 105.6432 ANGLE = 258.1450 DIHED = 756.2793 VDWAALS = -1447.5650 EEL = -10938.7998 EGB = -2533.7674 1-4 VDW = 484.5945 1-4 EEL = 5262.0760 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 310 -8.0534E+03 2.9902E-01 4.7103E+00 CG 174 BOND = 105.6571 ANGLE = 258.1038 DIHED = 756.2724 VDWAALS = -1447.5324 EEL = -10938.9015 EGB = -2533.7290 1-4 VDW = 484.5988 1-4 EEL = 5262.1305 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 311 -8.0537E+03 3.1459E-01 5.2204E+00 CB 2254 BOND = 105.8829 ANGLE = 257.4402 DIHED = 756.1156 VDWAALS = -1447.6422 EEL = -10938.8917 EGB = -2533.5846 1-4 VDW = 484.7531 1-4 EEL = 5262.2211 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 312 -8.0537E+03 2.4688E-01 4.9628E+00 CB 2254 BOND = 105.7894 ANGLE = 257.5461 DIHED = 756.1426 VDWAALS = -1447.6222 EEL = -10938.8936 EGB = -2533.6124 1-4 VDW = 484.7223 1-4 EEL = 5262.2035 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 313 -8.0540E+03 2.1418E-01 3.0682E+00 HB 2255 BOND = 105.7036 ANGLE = 257.5358 DIHED = 756.0331 VDWAALS = -1447.7623 EEL = -10938.8533 EGB = -2533.5747 1-4 VDW = 484.9085 1-4 EEL = 5262.0156 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 314 -8.0540E+03 2.6205E-01 3.8886E+00 CG 174 BOND = 105.7205 ANGLE = 257.5473 DIHED = 756.0078 VDWAALS = -1447.7976 EEL = -10938.8429 EGB = -2533.5652 1-4 VDW = 484.9575 1-4 EEL = 5261.9670 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 315 -8.0543E+03 2.6268E-01 3.7491E+00 HB 2255 BOND = 105.3120 ANGLE = 258.0604 DIHED = 755.9781 VDWAALS = -1448.0796 EEL = -10938.7191 EGB = -2533.6653 1-4 VDW = 485.1679 1-4 EEL = 5261.6066 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 316 -8.0543E+03 3.1369E-01 5.2221E+00 CG 174 BOND = 105.2604 ANGLE = 258.1877 DIHED = 755.9767 VDWAALS = -1448.1383 EEL = -10938.6928 EGB = -2533.6869 1-4 VDW = 485.2135 1-4 EEL = 5261.5301 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 317 -8.0548E+03 2.4518E-01 3.1949E+00 CG2 2256 BOND = 105.1261 ANGLE = 258.2510 DIHED = 755.9777 VDWAALS = -1448.4468 EEL = -10938.7756 EGB = -2533.4691 1-4 VDW = 485.3856 1-4 EEL = 5261.1816 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 318 -8.0548E+03 2.9918E-01 5.2728E+00 CG 174 BOND = 105.1416 ANGLE = 258.2975 DIHED = 755.9858 VDWAALS = -1448.5265 EEL = -10938.7978 EGB = -2533.4113 1-4 VDW = 485.4331 1-4 EEL = 5261.0888 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 319 -8.0551E+03 3.3343E-01 7.0281E+00 CG 174 BOND = 105.0497 ANGLE = 257.6529 DIHED = 755.9159 VDWAALS = -1448.6861 EEL = -10938.5828 EGB = -2533.1282 1-4 VDW = 485.5869 1-4 EEL = 5261.0837 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 320 -8.0551E+03 2.7106E-01 4.9080E+00 CG 174 BOND = 105.0184 ANGLE = 257.7469 DIHED = 755.9246 VDWAALS = -1448.6599 EEL = -10938.6199 EGB = -2533.1767 1-4 VDW = 485.5596 1-4 EEL = 5261.0844 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 321 -8.0554E+03 2.5185E-01 4.1155E+00 CG2 2256 BOND = 104.8850 ANGLE = 257.2398 DIHED = 755.8364 VDWAALS = -1448.6134 EEL = -10938.7499 EGB = -2532.8899 1-4 VDW = 485.5656 1-4 EEL = 5261.3054 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 322 -8.0554E+03 2.7221E-01 4.7249E+00 CG 174 BOND = 104.8883 ANGLE = 257.2035 DIHED = 755.8306 VDWAALS = -1448.6090 EEL = -10938.7609 EGB = -2532.8658 1-4 VDW = 485.5664 1-4 EEL = 5261.3242 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 323 -8.0558E+03 2.4742E-01 3.5853E+00 CG 174 BOND = 105.0150 ANGLE = 256.6081 DIHED = 755.7654 VDWAALS = -1448.5726 EEL = -10939.0370 EGB = -2532.5909 1-4 VDW = 485.4412 1-4 EEL = 5261.6084 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 324 -8.0558E+03 2.7882E-01 4.7236E+00 CG 174 BOND = 105.0562 ANGLE = 256.5396 DIHED = 755.7604 VDWAALS = -1448.5670 EEL = -10939.0749 EGB = -2532.5536 1-4 VDW = 485.4243 1-4 EEL = 5261.6475 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 325 -8.0561E+03 4.0624E-01 5.3824E+00 CG 174 BOND = 105.4850 ANGLE = 256.1042 DIHED = 755.6366 VDWAALS = -1448.6692 EEL = -10939.5555 EGB = -2532.2007 1-4 VDW = 485.3048 1-4 EEL = 5261.7857 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 326 -8.0562E+03 3.7626E-01 4.6255E+00 CG 174 BOND = 105.4330 ANGLE = 256.1223 DIHED = 755.6319 VDWAALS = -1448.6710 EEL = -10939.5533 EGB = -2532.2102 1-4 VDW = 485.3109 1-4 EEL = 5261.7796 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 327 -8.0562E+03 3.4313E-01 3.9136E+00 HG21 2257 BOND = 105.3759 ANGLE = 256.1453 DIHED = 755.6260 VDWAALS = -1448.6736 EEL = -10939.5513 EGB = -2532.2215 1-4 VDW = 485.3182 1-4 EEL = 5261.7715 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 328 -8.0563E+03 3.0789E-01 3.7187E+00 HG21 2257 BOND = 105.3147 ANGLE = 256.1748 DIHED = 755.6185 VDWAALS = -1448.6775 EEL = -10939.5499 EGB = -2532.2348 1-4 VDW = 485.3270 1-4 EEL = 5261.7606 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 329 -8.0563E+03 2.7252E-01 3.4827E+00 HG21 2257 BOND = 105.2516 ANGLE = 256.2124 DIHED = 755.6090 VDWAALS = -1448.6834 EEL = -10939.5500 EGB = -2532.2503 1-4 VDW = 485.3374 1-4 EEL = 5261.7457 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 330 -8.0564E+03 5.8281E-01 1.0391E+01 CG 174 BOND = 104.9771 ANGLE = 257.1059 DIHED = 755.4729 VDWAALS = -1448.8067 EEL = -10939.5919 EGB = -2532.5087 1-4 VDW = 485.5144 1-4 EEL = 5261.4506 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 331 -8.0566E+03 2.8202E-01 4.6056E+00 CG 174 BOND = 104.9387 ANGLE = 256.6321 DIHED = 755.5258 VDWAALS = -1448.7502 EEL = -10939.5722 EGB = -2532.3867 1-4 VDW = 485.4304 1-4 EEL = 5261.5890 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 332 -8.0569E+03 2.2606E-01 3.7544E+00 CG2 2256 BOND = 104.9310 ANGLE = 257.1249 DIHED = 755.4265 VDWAALS = -1448.9121 EEL = -10939.7811 EGB = -2532.4555 1-4 VDW = 485.4719 1-4 EEL = 5261.2976 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 333 -8.0569E+03 2.5664E-01 4.4471E+00 CG 174 BOND = 104.9521 ANGLE = 257.2127 DIHED = 755.4156 VDWAALS = -1448.9360 EEL = -10939.8126 EGB = -2532.4661 1-4 VDW = 485.4785 1-4 EEL = 5261.2537 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 334 -8.0572E+03 2.4610E-01 4.1535E+00 CG 174 BOND = 105.0735 ANGLE = 257.6311 DIHED = 755.3356 VDWAALS = -1449.0007 EEL = -10940.1762 EGB = -2532.5235 1-4 VDW = 485.3699 1-4 EEL = 5261.1052 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 335 -8.0572E+03 2.7062E-01 5.0570E+00 CG 174 BOND = 105.1036 ANGLE = 257.6827 DIHED = 755.3288 VDWAALS = -1449.0070 EEL = -10940.2144 EGB = -2532.5296 1-4 VDW = 485.3588 1-4 EEL = 5261.0896 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 336 -8.0575E+03 2.5748E-01 4.0955E+00 CG 174 BOND = 105.1259 ANGLE = 257.9203 DIHED = 755.1827 VDWAALS = -1448.9057 EEL = -10940.7013 EGB = -2532.5012 1-4 VDW = 485.1530 1-4 EEL = 5261.2029 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 337 -8.0575E+03 3.0373E-01 5.9058E+00 CG 174 BOND = 105.1679 ANGLE = 257.9818 DIHED = 755.1570 VDWAALS = -1448.8844 EEL = -10940.7976 EGB = -2532.4958 1-4 VDW = 485.1131 1-4 EEL = 5261.2253 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 338 -8.0579E+03 2.4642E-01 3.7589E+00 HB 2255 BOND = 105.2763 ANGLE = 257.5487 DIHED = 754.9576 VDWAALS = -1448.5916 EEL = -10941.2683 EGB = -2532.3167 1-4 VDW = 484.8221 1-4 EEL = 5261.6515 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 339 -8.0579E+03 2.7520E-01 4.7979E+00 CG 174 BOND = 105.3145 ANGLE = 257.5074 DIHED = 754.9364 VDWAALS = -1448.5528 EEL = -10941.3285 EGB = -2532.2940 1-4 VDW = 484.7856 1-4 EEL = 5261.7060 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 340 -8.0582E+03 3.0109E-01 5.9564E+00 CG 174 BOND = 105.8511 ANGLE = 256.8537 DIHED = 754.8445 VDWAALS = -1448.3118 EEL = -10941.9663 EGB = -2531.9385 1-4 VDW = 484.4307 1-4 EEL = 5262.0610 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 341 -8.0582E+03 2.3913E-01 3.9393E+00 CG 174 BOND = 105.7120 ANGLE = 256.9597 DIHED = 754.8575 VDWAALS = -1448.3581 EEL = -10941.8467 EGB = -2532.0049 1-4 VDW = 484.4965 1-4 EEL = 5261.9944 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 342 -8.0584E+03 2.0703E-01 4.6030E+00 CB 2254 BOND = 105.6732 ANGLE = 257.0808 DIHED = 754.8549 VDWAALS = -1448.2665 EEL = -10942.2306 EGB = -2531.9218 1-4 VDW = 484.2979 1-4 EEL = 5262.0884 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 343 -8.0584E+03 2.4204E-01 5.5300E+00 CB 2254 BOND = 105.6917 ANGLE = 257.1136 DIHED = 754.8560 VDWAALS = -1448.2485 EEL = -10942.3033 EGB = -2531.9061 1-4 VDW = 484.2607 1-4 EEL = 5262.1063 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 344 -8.0587E+03 2.1958E-01 2.7844E+00 CB 2254 BOND = 105.5825 ANGLE = 257.4597 DIHED = 754.7870 VDWAALS = -1448.2963 EEL = -10942.5057 EGB = -2531.8821 1-4 VDW = 484.1630 1-4 EEL = 5261.9537 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 345 -8.0588E+03 2.8817E-01 4.1892E+00 CG 174 BOND = 105.5953 ANGLE = 257.6195 DIHED = 754.7660 VDWAALS = -1448.3124 EEL = -10942.5818 EGB = -2531.8735 1-4 VDW = 484.1272 1-4 EEL = 5261.8965 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 346 -8.0591E+03 2.6291E-01 4.9096E+00 CG 2018 BOND = 105.6329 ANGLE = 257.9805 DIHED = 754.6310 VDWAALS = -1448.6128 EEL = -10942.4438 EGB = -2531.8772 1-4 VDW = 484.0536 1-4 EEL = 5261.5273 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 347 -8.0591E+03 2.7058E-01 5.1562E+00 CG 2018 BOND = 105.6399 ANGLE = 257.9945 DIHED = 754.6275 VDWAALS = -1448.6215 EEL = -10942.4397 EGB = -2531.8774 1-4 VDW = 484.0515 1-4 EEL = 5261.5164 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 348 -8.0594E+03 2.7385E-01 6.7982E+00 CG 2018 BOND = 105.4469 ANGLE = 258.7995 DIHED = 754.5562 VDWAALS = -1448.8446 EEL = -10942.7572 EGB = -2531.8231 1-4 VDW = 483.9525 1-4 EEL = 5261.2628 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 349 -8.0594E+03 2.6547E-01 6.4375E+00 CG 2018 BOND = 105.4463 ANGLE = 258.7728 DIHED = 754.5580 VDWAALS = -1448.8380 EEL = -10942.7476 EGB = -2531.8247 1-4 VDW = 483.9554 1-4 EEL = 5261.2704 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 350 -8.0597E+03 3.6008E-01 6.8870E+00 CG 2018 BOND = 105.2978 ANGLE = 259.3242 DIHED = 754.4482 VDWAALS = -1448.9907 EEL = -10943.1870 EGB = -2531.7366 1-4 VDW = 483.8809 1-4 EEL = 5261.2604 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 351 -8.0597E+03 3.3437E-01 5.9314E+00 CG 2018 BOND = 105.2957 ANGLE = 259.2746 DIHED = 754.4427 VDWAALS = -1448.9831 EEL = -10943.1970 EGB = -2531.7256 1-4 VDW = 483.8819 1-4 EEL = 5261.2690 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 352 -8.0598E+03 3.0625E-01 4.8711E+00 CG 2018 BOND = 105.2962 ANGLE = 259.2149 DIHED = 754.4360 VDWAALS = -1448.9739 EEL = -10943.2091 EGB = -2531.7124 1-4 VDW = 483.8832 1-4 EEL = 5261.2801 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 353 -8.0598E+03 2.7667E-01 3.7358E+00 CG 2018 BOND = 105.3006 ANGLE = 259.1434 DIHED = 754.4278 VDWAALS = -1448.9626 EEL = -10943.2240 EGB = -2531.6967 1-4 VDW = 483.8848 1-4 EEL = 5261.2945 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 354 -8.0599E+03 2.4734E-01 3.1765E+00 HG21 2257 BOND = 105.3098 ANGLE = 259.0585 DIHED = 754.4180 VDWAALS = -1448.9487 EEL = -10943.2425 EGB = -2531.6780 1-4 VDW = 483.8870 1-4 EEL = 5261.3132 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 355 -8.0599E+03 6.1036E-01 1.5640E+01 CG 2018 BOND = 106.2738 ANGLE = 257.5555 DIHED = 754.2352 VDWAALS = -1448.6532 EEL = -10943.6430 EGB = -2531.3031 1-4 VDW = 483.9385 1-4 EEL = 5261.7356 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 356 -8.0601E+03 2.7053E-01 6.3244E+00 CG 2018 BOND = 105.5910 ANGLE = 258.2652 DIHED = 754.3234 VDWAALS = -1448.8056 EEL = -10943.4382 EGB = -2531.4940 1-4 VDW = 483.9109 1-4 EEL = 5261.5198 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 357 -8.0604E+03 2.3770E-01 4.3382E+00 CG 2018 BOND = 105.6057 ANGLE = 257.6723 DIHED = 754.2520 VDWAALS = -1448.6570 EEL = -10943.7147 EGB = -2531.3510 1-4 VDW = 483.9431 1-4 EEL = 5261.8406 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 358 -8.0604E+03 2.7305E-01 6.0831E+00 CG 2018 BOND = 105.6347 ANGLE = 257.5867 DIHED = 754.2419 VDWAALS = -1448.6321 EEL = -10943.7601 EGB = -2531.3278 1-4 VDW = 483.9487 1-4 EEL = 5261.8931 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 359 -8.0607E+03 2.3726E-01 3.1743E+00 CG 174 BOND = 105.5343 ANGLE = 257.2504 DIHED = 754.1998 VDWAALS = -1448.4662 EEL = -10944.3467 EGB = -2531.1032 1-4 VDW = 483.9811 1-4 EEL = 5262.2115 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 360 -8.0607E+03 2.6621E-01 4.1927E+00 CG 174 BOND = 105.5428 ANGLE = 257.2193 DIHED = 754.1964 VDWAALS = -1448.4435 EEL = -10944.4245 EGB = -2531.0736 1-4 VDW = 483.9860 1-4 EEL = 5262.2537 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 361 -8.0610E+03 2.7953E-01 4.3933E+00 CG 174 BOND = 105.7527 ANGLE = 256.6614 DIHED = 754.0789 VDWAALS = -1448.5519 EEL = -10944.4286 EGB = -2530.9446 1-4 VDW = 484.1321 1-4 EEL = 5262.3156 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 362 -8.0610E+03 2.2029E-01 4.2483E+00 CB 2254 BOND = 105.6737 ANGLE = 256.7508 DIHED = 754.0988 VDWAALS = -1448.5322 EEL = -10944.4278 EGB = -2530.9691 1-4 VDW = 484.1035 1-4 EEL = 5262.3037 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 363 -8.0612E+03 1.9142E-01 2.8268E+00 HB 2255 BOND = 105.5950 ANGLE = 256.7567 DIHED = 754.0126 VDWAALS = -1448.6578 EEL = -10944.3839 EGB = -2530.9480 1-4 VDW = 484.2706 1-4 EEL = 5262.1412 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 364 -8.0612E+03 2.3700E-01 3.5781E+00 CG 174 BOND = 105.6065 ANGLE = 256.7702 DIHED = 753.9912 VDWAALS = -1448.6920 EEL = -10944.3716 EGB = -2530.9423 1-4 VDW = 484.3178 1-4 EEL = 5262.0959 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 365 -8.0615E+03 2.3157E-01 3.3181E+00 HB 2255 BOND = 105.2434 ANGLE = 257.2082 DIHED = 753.9753 VDWAALS = -1448.9381 EEL = -10944.2674 EGB = -2531.0210 1-4 VDW = 484.5016 1-4 EEL = 5261.7977 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 366 -8.0615E+03 2.8719E-01 4.9974E+00 CG 174 BOND = 105.1809 ANGLE = 257.3453 DIHED = 753.9762 VDWAALS = -1449.0033 EEL = -10944.2393 EGB = -2531.0427 1-4 VDW = 484.5522 1-4 EEL = 5261.7170 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 367 -8.0619E+03 2.2508E-01 3.0475E+00 CG 174 BOND = 105.0937 ANGLE = 257.3650 DIHED = 753.9894 VDWAALS = -1449.2738 EEL = -10944.3289 EGB = -2530.8329 1-4 VDW = 484.7125 1-4 EEL = 5261.4151 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 368 -8.0619E+03 2.6915E-01 4.9114E+00 CG 174 BOND = 105.1114 ANGLE = 257.3908 DIHED = 753.9980 VDWAALS = -1449.3345 EEL = -10944.3498 EGB = -2530.7846 1-4 VDW = 484.7508 1-4 EEL = 5261.3452 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 369 -8.0621E+03 2.9308E-01 6.2930E+00 CG 174 BOND = 105.0507 ANGLE = 256.8004 DIHED = 753.9492 VDWAALS = -1449.4639 EEL = -10944.1686 EGB = -2530.5528 1-4 VDW = 484.8929 1-4 EEL = 5261.3619 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 370 -8.0621E+03 2.4240E-01 4.5013E+00 CG 174 BOND = 105.0259 ANGLE = 256.8823 DIHED = 753.9546 VDWAALS = -1449.4442 EEL = -10944.1976 EGB = -2530.5897 1-4 VDW = 484.8696 1-4 EEL = 5261.3591 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 371 -8.0624E+03 2.2413E-01 3.5982E+00 CG 2018 BOND = 104.9008 ANGLE = 256.4382 DIHED = 753.8885 VDWAALS = -1449.3870 EEL = -10944.3523 EGB = -2530.3232 1-4 VDW = 484.8819 1-4 EEL = 5261.5734 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 372 -8.0624E+03 2.4607E-01 4.3474E+00 CG 2018 BOND = 104.9019 ANGLE = 256.3987 DIHED = 753.8834 VDWAALS = -1449.3806 EEL = -10944.3684 EGB = -2530.2957 1-4 VDW = 484.8833 1-4 EEL = 5261.5957 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 373 -8.0627E+03 2.2012E-01 3.0483E+00 CG 174 BOND = 105.0011 ANGLE = 255.8688 DIHED = 753.8404 VDWAALS = -1449.3483 EEL = -10944.5997 EGB = -2530.0596 1-4 VDW = 484.7833 1-4 EEL = 5261.8545 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 374 -8.0627E+03 2.5202E-01 4.2147E+00 CG 174 BOND = 105.0393 ANGLE = 255.7968 DIHED = 753.8373 VDWAALS = -1449.3426 EEL = -10944.6366 EGB = -2530.0225 1-4 VDW = 484.7677 1-4 EEL = 5261.8958 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 375 -8.0630E+03 3.6836E-01 4.9702E+00 CG 2018 BOND = 105.3988 ANGLE = 255.4369 DIHED = 753.7441 VDWAALS = -1449.4183 EEL = -10945.1241 EGB = -2529.6845 1-4 VDW = 484.6707 1-4 EEL = 5262.0182 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 376 -8.0630E+03 3.3833E-01 4.2255E+00 CG 2018 BOND = 105.3505 ANGLE = 255.4556 DIHED = 753.7395 VDWAALS = -1449.4209 EEL = -10945.1184 EGB = -2529.6957 1-4 VDW = 484.6766 1-4 EEL = 5262.0111 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 377 -8.0630E+03 3.0551E-01 3.4810E+00 HG21 2257 BOND = 105.2980 ANGLE = 255.4797 DIHED = 753.7337 VDWAALS = -1449.4245 EEL = -10945.1125 EGB = -2529.7089 1-4 VDW = 484.6836 1-4 EEL = 5262.0019 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 378 -8.0631E+03 2.7122E-01 3.2874E+00 HG21 2257 BOND = 105.2426 ANGLE = 255.5105 DIHED = 753.7264 VDWAALS = -1449.4295 EEL = -10945.1069 EGB = -2529.7242 1-4 VDW = 484.6919 1-4 EEL = 5261.9895 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 379 -8.0632E+03 2.3785E-01 3.0537E+00 HG21 2257 BOND = 105.1865 ANGLE = 255.5499 DIHED = 753.7170 VDWAALS = -1449.4367 EEL = -10945.1029 EGB = -2529.7416 1-4 VDW = 484.7017 1-4 EEL = 5261.9727 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 380 -8.0630E+03 6.5002E-01 1.0911E+01 CG 2018 BOND = 105.0346 ANGLE = 256.6291 DIHED = 753.5769 VDWAALS = -1449.5974 EEL = -10945.0966 EGB = -2530.0607 1-4 VDW = 484.8857 1-4 EEL = 5261.5988 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 381 -8.0634E+03 2.5729E-01 3.9995E+00 CG 174 BOND = 104.9264 ANGLE = 255.9616 DIHED = 753.6397 VDWAALS = -1449.5098 EEL = -10945.1000 EGB = -2529.8825 1-4 VDW = 484.7822 1-4 EEL = 5261.8065 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 382 -8.0636E+03 2.0965E-01 3.2317E+00 CG2 2256 BOND = 104.9506 ANGLE = 256.4296 DIHED = 753.5557 VDWAALS = -1449.6474 EEL = -10945.3219 EGB = -2529.9293 1-4 VDW = 484.8035 1-4 EEL = 5261.5368 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 383 -8.0636E+03 2.3056E-01 3.8663E+00 CG 2018 BOND = 104.9665 ANGLE = 256.4880 DIHED = 753.5491 VDWAALS = -1449.6618 EEL = -10945.3458 EGB = -2529.9345 1-4 VDW = 484.8060 1-4 EEL = 5261.5078 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 384 -8.0639E+03 2.1456E-01 3.3889E+00 CG 174 BOND = 105.0635 ANGLE = 256.8431 DIHED = 753.4861 VDWAALS = -1449.7128 EEL = -10945.6279 EGB = -2529.9968 1-4 VDW = 484.7018 1-4 EEL = 5261.3890 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 385 -8.0639E+03 2.4585E-01 4.5370E+00 CG 174 BOND = 105.0993 ANGLE = 256.9083 DIHED = 753.4780 VDWAALS = -1449.7203 EEL = -10945.6726 EGB = -2530.0068 1-4 VDW = 484.6856 1-4 EEL = 5261.3702 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 386 -8.0641E+03 2.3123E-01 3.6310E+00 CG 174 BOND = 105.0975 ANGLE = 257.1041 DIHED = 753.3544 VDWAALS = -1449.6090 EEL = -10946.1271 EGB = -2529.9527 1-4 VDW = 484.4985 1-4 EEL = 5261.4965 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 387 -8.0641E+03 2.7793E-01 5.4743E+00 CG 174 BOND = 105.1319 ANGLE = 257.1619 DIHED = 753.3295 VDWAALS = -1449.5827 EEL = -10946.2296 EGB = -2529.9406 1-4 VDW = 484.4570 1-4 EEL = 5261.5250 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 388 -8.0645E+03 2.2585E-01 3.5311E+00 CG 174 BOND = 105.2483 ANGLE = 256.7509 DIHED = 753.1634 VDWAALS = -1449.3139 EEL = -10946.6407 EGB = -2529.7810 1-4 VDW = 484.1936 1-4 EEL = 5261.9132 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 389 -8.0645E+03 2.4734E-01 4.4537E+00 CG 174 BOND = 105.2766 ANGLE = 256.7181 DIHED = 753.1493 VDWAALS = -1449.2855 EEL = -10946.6829 EGB = -2529.7648 1-4 VDW = 484.1671 1-4 EEL = 5261.9530 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 390 -8.0647E+03 2.6490E-01 5.3602E+00 CG 174 BOND = 105.7365 ANGLE = 256.1834 DIHED = 753.0839 VDWAALS = -1449.0763 EEL = -10947.2591 EGB = -2529.4499 1-4 VDW = 483.8638 1-4 EEL = 5262.2464 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 391 -8.0647E+03 2.1414E-01 3.6400E+00 CG 174 BOND = 105.6271 ANGLE = 256.2651 DIHED = 753.0923 VDWAALS = -1449.1138 EEL = -10947.1581 EGB = -2529.5049 1-4 VDW = 483.9165 1-4 EEL = 5262.1949 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 392 -8.0649E+03 1.8632E-01 4.1491E+00 CB 2254 BOND = 105.5716 ANGLE = 256.4022 DIHED = 753.0925 VDWAALS = -1449.0392 EEL = -10947.4747 EGB = -2529.4385 1-4 VDW = 483.7498 1-4 EEL = 5262.2668 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 393 -8.0649E+03 2.2078E-01 5.0102E+00 CB 2254 BOND = 105.5827 ANGLE = 256.4395 DIHED = 753.0940 VDWAALS = -1449.0230 EEL = -10947.5409 EGB = -2529.4247 1-4 VDW = 483.7153 1-4 EEL = 5262.2819 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 394 -8.0651E+03 1.9515E-01 2.3649E+00 CB 2254 BOND = 105.4857 ANGLE = 256.7409 DIHED = 753.0320 VDWAALS = -1449.0660 EEL = -10947.6962 EGB = -2529.4050 1-4 VDW = 483.6332 1-4 EEL = 5262.1472 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 395 -8.0652E+03 2.5980E-01 3.7819E+00 CG 174 BOND = 105.4930 ANGLE = 256.8906 DIHED = 753.0111 VDWAALS = -1449.0819 EEL = -10947.7598 EGB = -2529.3973 1-4 VDW = 483.6005 1-4 EEL = 5262.0923 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 396 -8.0654E+03 2.4297E-01 4.7693E+00 CG 2018 BOND = 105.5439 ANGLE = 257.2157 DIHED = 752.8958 VDWAALS = -1449.3309 EEL = -10947.6580 EGB = -2529.3991 1-4 VDW = 483.5337 1-4 EEL = 5261.7688 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 397 -8.0654E+03 2.4322E-01 4.7774E+00 CG 2018 BOND = 105.5441 ANGLE = 257.2161 DIHED = 752.8957 VDWAALS = -1449.3311 EEL = -10947.6579 EGB = -2529.3991 1-4 VDW = 483.5336 1-4 EEL = 5261.7684 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 398 -8.0657E+03 2.4271E-01 6.2094E+00 CG 2018 BOND = 105.3797 ANGLE = 257.9139 DIHED = 752.8447 VDWAALS = -1449.5134 EEL = -10947.9269 EGB = -2529.3688 1-4 VDW = 483.4446 1-4 EEL = 5261.5528 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 399 -8.0657E+03 2.3965E-01 6.0718E+00 CG 2018 BOND = 105.3796 ANGLE = 257.9043 DIHED = 752.8453 VDWAALS = -1449.5112 EEL = -10947.9235 EGB = -2529.3691 1-4 VDW = 483.4457 1-4 EEL = 5261.5555 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 400 -8.0659E+03 3.2859E-01 6.7425E+00 CG 2018 BOND = 105.2566 ANGLE = 258.3485 DIHED = 752.7570 VDWAALS = -1449.6171 EEL = -10948.3464 EGB = -2529.2640 1-4 VDW = 483.3765 1-4 EEL = 5261.5611 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 401 -8.0660E+03 3.0249E-01 5.7063E+00 CG 2018 BOND = 105.2560 ANGLE = 258.3006 DIHED = 752.7518 VDWAALS = -1449.6107 EEL = -10948.3525 EGB = -2529.2554 1-4 VDW = 483.3777 1-4 EEL = 5261.5689 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 402 -8.0660E+03 2.7426E-01 4.5671E+00 CG 2018 BOND = 105.2584 ANGLE = 258.2429 DIHED = 752.7455 VDWAALS = -1449.6028 EEL = -10948.3602 EGB = -2529.2450 1-4 VDW = 483.3792 1-4 EEL = 5261.5792 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 403 -8.0660E+03 2.4513E-01 3.3673E+00 CG 2018 BOND = 105.2648 ANGLE = 258.1739 DIHED = 752.7378 VDWAALS = -1449.5929 EEL = -10948.3703 EGB = -2529.2322 1-4 VDW = 483.3812 1-4 EEL = 5261.5927 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 404 -8.0661E+03 2.1709E-01 2.8607E+00 HG21 2257 BOND = 105.2760 ANGLE = 258.0921 DIHED = 752.7286 VDWAALS = -1449.5807 EEL = -10948.3837 EGB = -2529.2167 1-4 VDW = 483.3837 1-4 EEL = 5261.6105 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 405 -8.0659E+03 6.7601E-01 1.7709E+01 CG 2018 BOND = 106.4230 ANGLE = 256.5122 DIHED = 752.5437 VDWAALS = -1449.2797 EEL = -10948.7421 EGB = -2528.8544 1-4 VDW = 483.4517 1-4 EEL = 5262.0731 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 406 -8.0663E+03 2.4633E-01 5.9748E+00 CG 2018 BOND = 105.5313 ANGLE = 257.3733 DIHED = 752.6461 VDWAALS = -1449.4589 EEL = -10948.5306 EGB = -2529.0672 1-4 VDW = 483.4100 1-4 EEL = 5261.8005 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 407 -8.0665E+03 2.2037E-01 4.6149E+00 CG 2018 BOND = 105.5234 ANGLE = 256.8748 DIHED = 752.5926 VDWAALS = -1449.3244 EEL = -10948.8057 EGB = -2528.9208 1-4 VDW = 483.4426 1-4 EEL = 5262.0901 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 408 -8.0665E+03 2.4800E-01 6.0490E+00 CG 2018 BOND = 105.5408 ANGLE = 256.8153 DIHED = 752.5865 VDWAALS = -1449.3059 EEL = -10948.8430 EGB = -2528.9011 1-4 VDW = 483.4473 1-4 EEL = 5262.1293 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 409 -8.0668E+03 2.1366E-01 2.8643E+00 CG 174 BOND = 105.4546 ANGLE = 256.5372 DIHED = 752.5622 VDWAALS = -1449.1849 EEL = -10949.3115 EGB = -2528.7214 1-4 VDW = 483.4829 1-4 EEL = 5262.3854 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 410 -8.0668E+03 2.3911E-01 3.9861E+00 CG 2018 BOND = 105.4608 ANGLE = 256.5121 DIHED = 752.5608 VDWAALS = -1449.1687 EEL = -10949.3720 EGB = -2528.6984 1-4 VDW = 483.4879 1-4 EEL = 5262.4185 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 411 -8.0670E+03 2.5061E-01 3.9681E+00 CG 174 BOND = 105.6483 ANGLE = 256.0467 DIHED = 752.4703 VDWAALS = -1449.2693 EEL = -10949.3706 EGB = -2528.5947 1-4 VDW = 483.6239 1-4 EEL = 5262.4529 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 412 -8.0670E+03 1.9862E-01 3.6512E+00 CB 2254 BOND = 105.5823 ANGLE = 256.1207 DIHED = 752.4853 VDWAALS = -1449.2512 EEL = -10949.3709 EGB = -2528.6140 1-4 VDW = 483.5978 1-4 EEL = 5262.4464 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 413 -8.0672E+03 1.7271E-01 2.6193E+00 HB 2255 BOND = 105.5048 ANGLE = 256.1428 DIHED = 752.4156 VDWAALS = -1449.3665 EEL = -10949.3135 EGB = -2528.6106 1-4 VDW = 483.7468 1-4 EEL = 5262.3015 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 414 -8.0672E+03 2.1660E-01 3.2653E+00 CG 174 BOND = 105.5107 ANGLE = 256.1597 DIHED = 752.3970 VDWAALS = -1449.4004 EEL = -10949.2962 EGB = -2528.6097 1-4 VDW = 483.7921 1-4 EEL = 5262.2579 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 415 -8.0674E+03 2.0686E-01 2.9561E+00 HB 2255 BOND = 105.1899 ANGLE = 256.5351 DIHED = 752.3880 VDWAALS = -1449.6191 EEL = -10949.1944 EGB = -2528.6765 1-4 VDW = 483.9526 1-4 EEL = 5262.0029 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 416 -8.0674E+03 2.6436E-01 4.6876E+00 CG 174 BOND = 105.1214 ANGLE = 256.6739 DIHED = 752.3904 VDWAALS = -1449.6879 EEL = -10949.1617 EGB = -2528.6984 1-4 VDW = 484.0051 1-4 EEL = 5261.9210 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 417 -8.0677E+03 2.0868E-01 3.0213E+00 CG 174 BOND = 105.0719 ANGLE = 256.6589 DIHED = 752.4074 VDWAALS = -1449.9310 EEL = -10949.2229 EGB = -2528.5157 1-4 VDW = 484.1533 1-4 EEL = 5261.6525 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 418 -8.0677E+03 2.4369E-01 4.5096E+00 CG 174 BOND = 105.0895 ANGLE = 256.6710 DIHED = 752.4146 VDWAALS = -1449.9766 EEL = -10949.2348 EGB = -2528.4807 1-4 VDW = 484.1827 1-4 EEL = 5261.6007 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 419 -8.0679E+03 2.5951E-01 5.5878E+00 CG 174 BOND = 105.0458 ANGLE = 256.1365 DIHED = 752.3759 VDWAALS = -1450.0801 EEL = -10949.0561 EGB = -2528.3065 1-4 VDW = 484.3108 1-4 EEL = 5261.6282 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 420 -8.0680E+03 2.1938E-01 4.1356E+00 CG 174 BOND = 105.0272 ANGLE = 256.2043 DIHED = 752.3797 VDWAALS = -1450.0659 EEL = -10949.0818 EGB = -2528.3314 1-4 VDW = 484.2920 1-4 EEL = 5261.6242 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 421 -8.0681E+03 2.0247E-01 3.2332E+00 CG 2018 BOND = 104.9172 ANGLE = 255.8040 DIHED = 752.3276 VDWAALS = -1450.0081 EEL = -10949.2152 EGB = -2528.1013 1-4 VDW = 484.3069 1-4 EEL = 5261.8194 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 422 -8.0682E+03 2.2513E-01 4.0003E+00 CG 2018 BOND = 104.9172 ANGLE = 255.7623 DIHED = 752.3230 VDWAALS = -1450.0009 EEL = -10949.2311 EGB = -2528.0740 1-4 VDW = 484.3089 1-4 EEL = 5261.8428 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 423 -8.0684E+03 1.9922E-01 2.7742E+00 CG 2018 BOND = 105.0009 ANGLE = 255.2852 DIHED = 752.2950 VDWAALS = -1449.9766 EEL = -10949.3968 EGB = -2527.8854 1-4 VDW = 484.2257 1-4 EEL = 5262.0684 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 424 -8.0684E+03 2.3021E-01 3.9386E+00 CG 2018 BOND = 105.0354 ANGLE = 255.2140 DIHED = 752.2936 VDWAALS = -1449.9719 EEL = -10949.4253 EGB = -2527.8533 1-4 VDW = 484.2116 1-4 EEL = 5262.1074 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 425 -8.0686E+03 3.3589E-01 4.7831E+00 CG 2018 BOND = 105.3314 ANGLE = 254.9216 DIHED = 752.2192 VDWAALS = -1450.0346 EEL = -10949.8567 EGB = -2527.5610 1-4 VDW = 484.1296 1-4 EEL = 5262.2033 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 426 -8.0687E+03 3.0595E-01 3.9973E+00 CG 2018 BOND = 105.2870 ANGLE = 254.9406 DIHED = 752.2146 VDWAALS = -1450.0379 EEL = -10949.8486 EGB = -2527.5732 1-4 VDW = 484.1351 1-4 EEL = 5262.1958 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 427 -8.0687E+03 2.7362E-01 3.1380E+00 HG21 2257 BOND = 105.2392 ANGLE = 254.9651 DIHED = 752.2088 VDWAALS = -1450.0422 EEL = -10949.8401 EGB = -2527.5874 1-4 VDW = 484.1416 1-4 EEL = 5262.1859 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 428 -8.0688E+03 2.4052E-01 2.9442E+00 HG21 2257 BOND = 105.1895 ANGLE = 254.9966 DIHED = 752.2013 VDWAALS = -1450.0481 EEL = -10949.8320 EGB = -2527.6038 1-4 VDW = 484.1492 1-4 EEL = 5262.1726 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 429 -8.0688E+03 2.0939E-01 2.7111E+00 HG21 2257 BOND = 105.1403 ANGLE = 255.0370 DIHED = 752.1918 VDWAALS = -1450.0561 EEL = -10949.8259 EGB = -2527.6220 1-4 VDW = 484.1580 1-4 EEL = 5262.1547 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 430 -8.0685E+03 7.0300E-01 1.1841E+01 CG 2018 BOND = 105.1202 ANGLE = 256.3071 DIHED = 752.0456 VDWAALS = -1450.2523 EEL = -10949.7972 EGB = -2527.9879 1-4 VDW = 484.3392 1-4 EEL = 5261.7068 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 431 -8.0690E+03 2.3669E-01 3.6910E+00 CG 2018 BOND = 104.9260 ANGLE = 255.4439 DIHED = 752.1164 VDWAALS = -1450.1334 EEL = -10949.8148 EGB = -2527.7610 1-4 VDW = 484.2259 1-4 EEL = 5261.9830 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 432 -8.0692E+03 1.9983E-01 3.3044E+00 CG 2018 BOND = 104.9743 ANGLE = 255.8952 DIHED = 752.0424 VDWAALS = -1450.2521 EEL = -10950.0454 EGB = -2527.7926 1-4 VDW = 484.2280 1-4 EEL = 5261.7334 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 433 -8.0692E+03 2.0982E-01 3.6662E+00 CG 2018 BOND = 104.9823 ANGLE = 255.9218 DIHED = 752.0396 VDWAALS = -1450.2581 EEL = -10950.0573 EGB = -2527.7943 1-4 VDW = 484.2282 1-4 EEL = 5261.7205 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 434 -8.0694E+03 1.8965E-01 2.7767E+00 CG 174 BOND = 105.0524 ANGLE = 256.2277 DIHED = 751.9884 VDWAALS = -1450.2974 EEL = -10950.2788 EGB = -2527.8564 1-4 VDW = 484.1276 1-4 EEL = 5261.6290 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 435 -8.0694E+03 2.2611E-01 4.1152E+00 CG 174 BOND = 105.0898 ANGLE = 256.3035 DIHED = 751.9793 VDWAALS = -1450.3053 EEL = -10950.3266 EGB = -2527.8699 1-4 VDW = 484.1062 1-4 EEL = 5261.6092 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 436 -8.0697E+03 2.1014E-01 3.2355E+00 CG 174 BOND = 105.0784 ANGLE = 256.4545 DIHED = 751.8719 VDWAALS = -1450.1897 EEL = -10950.7372 EGB = -2527.8024 1-4 VDW = 483.9331 1-4 EEL = 5261.7401 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 437 -8.0697E+03 2.5635E-01 5.0655E+00 CG 174 BOND = 105.1073 ANGLE = 256.5049 DIHED = 751.8482 VDWAALS = -1450.1598 EEL = -10950.8394 EGB = -2527.7858 1-4 VDW = 483.8907 1-4 EEL = 5261.7726 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 438 -8.0699E+03 2.1002E-01 3.5081E+00 CG 174 BOND = 105.2387 ANGLE = 256.1056 DIHED = 751.7075 VDWAALS = -1449.9133 EEL = -10951.1858 EGB = -2527.6511 1-4 VDW = 483.6475 1-4 EEL = 5262.1242 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 439 -8.0699E+03 2.2357E-01 4.0889E+00 CG 174 BOND = 105.2570 ANGLE = 256.0837 DIHED = 751.6997 VDWAALS = -1449.8962 EEL = -10951.2093 EGB = -2527.6421 1-4 VDW = 483.6313 1-4 EEL = 5262.1481 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 440 -8.0701E+03 2.3324E-01 4.7205E+00 CG 174 BOND = 105.6415 ANGLE = 255.6569 DIHED = 751.6527 VDWAALS = -1449.7170 EEL = -10951.7075 EGB = -2527.3793 1-4 VDW = 483.3718 1-4 EEL = 5262.3858 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 441 -8.0701E+03 1.9414E-01 3.3584E+00 CG 174 BOND = 105.5616 ANGLE = 255.7146 DIHED = 751.6578 VDWAALS = -1449.7452 EEL = -10951.6305 EGB = -2527.4197 1-4 VDW = 483.4116 1-4 EEL = 5262.3490 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 442 -8.0703E+03 1.7035E-01 3.8354E+00 CB 2254 BOND = 105.4966 ANGLE = 255.8595 DIHED = 751.6571 VDWAALS = -1449.6879 EEL = -10951.8788 EGB = -2527.3745 1-4 VDW = 483.2693 1-4 EEL = 5262.4015 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 443 -8.0703E+03 2.0424E-01 4.6334E+00 CB 2254 BOND = 105.5021 ANGLE = 255.9001 DIHED = 751.6582 VDWAALS = -1449.6744 EEL = -10951.9351 EGB = -2527.3643 1-4 VDW = 483.2374 1-4 EEL = 5262.4134 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 444 -8.0705E+03 1.7614E-01 2.0039E+00 CB 2254 BOND = 105.4202 ANGLE = 256.1619 DIHED = 751.5990 VDWAALS = -1449.7202 EEL = -10952.0367 EGB = -2527.3569 1-4 VDW = 483.1666 1-4 EEL = 5262.2903 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 445 -8.0705E+03 2.3712E-01 3.4329E+00 CG 174 BOND = 105.4257 ANGLE = 256.3009 DIHED = 751.5771 VDWAALS = -1449.7389 EEL = -10952.0813 EGB = -2527.3540 1-4 VDW = 483.1363 1-4 EEL = 5262.2364 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 446 -8.0707E+03 2.2753E-01 4.5284E+00 CG 2018 BOND = 105.4774 ANGLE = 256.6084 DIHED = 751.4748 VDWAALS = -1449.9586 EEL = -10951.9777 EGB = -2527.3746 1-4 VDW = 483.0727 1-4 EEL = 5261.9495 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 447 -8.0707E+03 2.2147E-01 4.3383E+00 CG 2018 BOND = 105.4724 ANGLE = 256.5984 DIHED = 751.4771 VDWAALS = -1449.9529 EEL = -10951.9804 EGB = -2527.3740 1-4 VDW = 483.0743 1-4 EEL = 5261.9570 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 448 -8.0709E+03 2.1856E-01 5.5848E+00 CG 2018 BOND = 105.3297 ANGLE = 257.2122 DIHED = 751.4367 VDWAALS = -1450.1112 EEL = -10952.1976 EGB = -2527.3687 1-4 VDW = 482.9918 1-4 EEL = 5261.7750 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 449 -8.0709E+03 2.1969E-01 5.6362E+00 CG 2018 BOND = 105.3296 ANGLE = 257.2157 DIHED = 751.4365 VDWAALS = -1450.1120 EEL = -10952.1987 EGB = -2527.3687 1-4 VDW = 482.9913 1-4 EEL = 5261.7740 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 450 -8.0712E+03 3.0391E-01 6.5022E+00 CG 2018 BOND = 105.2381 ANGLE = 257.5642 DIHED = 751.3591 VDWAALS = -1450.1947 EEL = -10952.5721 EGB = -2527.2689 1-4 VDW = 482.9267 1-4 EEL = 5261.7875 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 451 -8.0712E+03 2.7735E-01 5.4086E+00 CG 2018 BOND = 105.2378 ANGLE = 257.5184 DIHED = 751.3543 VDWAALS = -1450.1892 EEL = -10952.5752 EGB = -2527.2622 1-4 VDW = 482.9281 1-4 EEL = 5261.7947 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 452 -8.0712E+03 2.4894E-01 4.2172E+00 CG 2018 BOND = 105.2406 ANGLE = 257.4631 DIHED = 751.3484 VDWAALS = -1450.1823 EEL = -10952.5797 EGB = -2527.2538 1-4 VDW = 482.9298 1-4 EEL = 5261.8043 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 453 -8.0713E+03 2.2019E-01 2.9833E+00 CG 2018 BOND = 105.2474 ANGLE = 257.3970 DIHED = 751.3413 VDWAALS = -1450.1735 EEL = -10952.5862 EGB = -2527.2433 1-4 VDW = 482.9321 1-4 EEL = 5261.8170 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 454 -8.0713E+03 1.9342E-01 2.5964E+00 HG21 2257 BOND = 105.2586 ANGLE = 257.3188 DIHED = 751.3329 VDWAALS = -1450.1625 EEL = -10952.5959 EGB = -2527.2301 1-4 VDW = 482.9350 1-4 EEL = 5261.8342 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 455 -8.0709E+03 7.2696E-01 1.8749E+01 CG 2018 BOND = 106.5356 ANGLE = 255.6994 DIHED = 751.1552 VDWAALS = -1449.8547 EEL = -10952.9185 EGB = -2526.8763 1-4 VDW = 483.0218 1-4 EEL = 5262.3313 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 456 -8.0715E+03 2.2725E-01 5.5102E+00 CG 2018 BOND = 105.4828 ANGLE = 256.6615 DIHED = 751.2616 VDWAALS = -1450.0549 EEL = -10952.7106 EGB = -2527.1032 1-4 VDW = 482.9641 1-4 EEL = 5262.0114 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 457 -8.0717E+03 2.0876E-01 4.8394E+00 CG 2018 BOND = 105.4590 ANGLE = 256.2315 DIHED = 751.2228 VDWAALS = -1449.9331 EEL = -10952.9743 EGB = -2526.9586 1-4 VDW = 482.9981 1-4 EEL = 5262.2713 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 458 -8.0717E+03 2.2864E-01 5.8813E+00 CG 2018 BOND = 105.4684 ANGLE = 256.1933 DIHED = 751.2196 VDWAALS = -1449.9206 EEL = -10953.0008 EGB = -2526.9441 1-4 VDW = 483.0017 1-4 EEL = 5262.2975 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 459 -8.0719E+03 1.9483E-01 2.8416E+00 CB 2254 BOND = 105.4017 ANGLE = 255.9521 DIHED = 751.2071 VDWAALS = -1449.8330 EEL = -10953.3798 EGB = -2526.7986 1-4 VDW = 483.0399 1-4 EEL = 5262.5033 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 460 -8.0719E+03 2.1768E-01 3.9350E+00 CG 2018 BOND = 105.4075 ANGLE = 255.9304 DIHED = 751.2069 VDWAALS = -1449.8214 EEL = -10953.4281 EGB = -2526.7802 1-4 VDW = 483.0451 1-4 EEL = 5262.5296 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 461 -8.0721E+03 2.2717E-01 3.6018E+00 CG 174 BOND = 105.5684 ANGLE = 255.5440 DIHED = 751.1354 VDWAALS = -1449.9149 EEL = -10953.4181 EGB = -2526.7031 1-4 VDW = 483.1726 1-4 EEL = 5262.5452 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 462 -8.0721E+03 1.8179E-01 3.1681E+00 CB 2254 BOND = 105.5146 ANGLE = 255.6038 DIHED = 751.1468 VDWAALS = -1449.8985 EEL = -10953.4199 EGB = -2526.7169 1-4 VDW = 483.1491 1-4 EEL = 5262.5423 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 463 -8.0722E+03 1.5819E-01 2.4519E+00 HB 2255 BOND = 105.4350 ANGLE = 255.6382 DIHED = 751.0893 VDWAALS = -1450.0079 EEL = -10953.3529 EGB = -2526.7256 1-4 VDW = 483.2834 1-4 EEL = 5262.4138 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 464 -8.0722E+03 2.0094E-01 3.0106E+00 HB 2255 BOND = 105.4355 ANGLE = 255.6584 DIHED = 751.0729 VDWAALS = -1450.0426 EEL = -10953.3313 EGB = -2526.7286 1-4 VDW = 483.3273 1-4 EEL = 5262.3722 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 465 -8.0724E+03 1.8791E-01 2.6662E+00 HB 2255 BOND = 105.1517 ANGLE = 255.9798 DIHED = 751.0679 VDWAALS = -1450.2444 EEL = -10953.2281 EGB = -2526.7868 1-4 VDW = 483.4707 1-4 EEL = 5262.1519 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 466 -8.0725E+03 2.4592E-01 4.3814E+00 CG 174 BOND = 105.0809 ANGLE = 256.1149 DIHED = 751.0714 VDWAALS = -1450.3167 EEL = -10953.1904 EGB = -2526.8084 1-4 VDW = 483.5241 1-4 EEL = 5262.0714 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 467 -8.0727E+03 1.9653E-01 3.0158E+00 CG 174 BOND = 105.0561 ANGLE = 256.0749 DIHED = 751.0892 VDWAALS = -1450.5422 EEL = -10953.2255 EGB = -2526.6537 1-4 VDW = 483.6651 1-4 EEL = 5261.8361 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 468 -8.0727E+03 2.2334E-01 4.1415E+00 CG 174 BOND = 105.0712 ANGLE = 256.0791 DIHED = 751.0945 VDWAALS = -1450.5756 EEL = -10953.2309 EGB = -2526.6303 1-4 VDW = 483.6871 1-4 EEL = 5261.8003 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 469 -8.0729E+03 2.3275E-01 4.9690E+00 CG 174 BOND = 105.0337 ANGLE = 255.5957 DIHED = 751.0621 VDWAALS = -1450.6614 EEL = -10953.0547 EGB = -2526.5050 1-4 VDW = 483.8060 1-4 EEL = 5261.8395 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 470 -8.0729E+03 2.0183E-01 3.8337E+00 CG 174 BOND = 105.0207 ANGLE = 255.6495 DIHED = 751.0649 VDWAALS = -1450.6512 EEL = -10953.0767 EGB = -2526.5205 1-4 VDW = 483.7909 1-4 EEL = 5261.8346 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 471 -8.0731E+03 1.8634E-01 2.9485E+00 CG 2018 BOND = 104.9286 ANGLE = 255.2752 DIHED = 751.0239 VDWAALS = -1450.5988 EEL = -10953.1840 EGB = -2526.3234 1-4 VDW = 483.8096 1-4 EEL = 5262.0124 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 472 -8.0731E+03 2.0913E-01 3.7092E+00 CG 2018 BOND = 104.9286 ANGLE = 255.2318 DIHED = 751.0201 VDWAALS = -1450.5916 EEL = -10953.1982 EGB = -2526.2977 1-4 VDW = 483.8122 1-4 EEL = 5262.0358 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 473 -8.0733E+03 1.8396E-01 2.5741E+00 CG 2018 BOND = 105.0022 ANGLE = 254.7953 DIHED = 751.0051 VDWAALS = -1450.5779 EEL = -10953.3112 EGB = -2526.1494 1-4 VDW = 483.7440 1-4 EEL = 5262.2341 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 474 -8.0733E+03 2.1332E-01 3.6866E+00 CG 2018 BOND = 105.0332 ANGLE = 254.7274 DIHED = 751.0053 VDWAALS = -1450.5751 EEL = -10953.3313 EGB = -2526.1234 1-4 VDW = 483.7321 1-4 EEL = 5262.2694 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 475 -8.0735E+03 3.0919E-01 4.5365E+00 CG 2018 BOND = 105.2746 ANGLE = 254.4904 DIHED = 750.9447 VDWAALS = -1450.6333 EEL = -10953.7082 EGB = -2525.8765 1-4 VDW = 483.6638 1-4 EEL = 5262.3472 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 476 -8.0735E+03 2.7951E-01 3.7285E+00 CG 2018 BOND = 105.2341 ANGLE = 254.5090 DIHED = 750.9399 VDWAALS = -1450.6369 EEL = -10953.6987 EGB = -2525.8891 1-4 VDW = 483.6687 1-4 EEL = 5262.3395 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 477 -8.0736E+03 2.4785E-01 2.8902E+00 HG21 2257 BOND = 105.1910 ANGLE = 254.5332 DIHED = 750.9339 VDWAALS = -1450.6417 EEL = -10953.6889 EGB = -2525.9037 1-4 VDW = 483.6746 1-4 EEL = 5262.3294 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 478 -8.0736E+03 2.1613E-01 2.6943E+00 HG21 2257 BOND = 105.1470 ANGLE = 254.5645 DIHED = 750.9262 VDWAALS = -1450.6481 EEL = -10953.6798 EGB = -2525.9202 1-4 VDW = 483.6814 1-4 EEL = 5262.3159 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 479 -8.0737E+03 1.8731E-01 2.4601E+00 HG21 2257 BOND = 105.1044 ANGLE = 254.6049 DIHED = 750.9164 VDWAALS = -1450.6566 EEL = -10953.6733 EGB = -2525.9382 1-4 VDW = 483.6889 1-4 EEL = 5262.2977 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 480 -8.0732E+03 7.3592E-01 1.2077E+01 CG 2018 BOND = 105.2107 ANGLE = 256.0467 DIHED = 750.7621 VDWAALS = -1450.8802 EEL = -10953.6565 EGB = -2526.3298 1-4 VDW = 483.8559 1-4 EEL = 5261.7942 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 481 -8.0738E+03 2.2012E-01 3.3988E+00 CG 2018 BOND = 104.9290 ANGLE = 255.0086 DIHED = 750.8397 VDWAALS = -1450.7356 EEL = -10953.6674 EGB = -2526.0709 1-4 VDW = 483.7443 1-4 EEL = 5262.1253 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 482 -8.0740E+03 1.9654E-01 3.5440E+00 CG 2018 BOND = 104.9937 ANGLE = 255.4523 DIHED = 750.7719 VDWAALS = -1450.8390 EEL = -10953.9134 EGB = -2526.0892 1-4 VDW = 483.7287 1-4 EEL = 5261.8973 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 483 -8.0740E+03 1.9431E-01 3.4660E+00 CG 2018 BOND = 104.9919 ANGLE = 255.4467 DIHED = 750.7725 VDWAALS = -1450.8379 EEL = -10953.9107 EGB = -2526.0890 1-4 VDW = 483.7289 1-4 EEL = 5261.8998 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 484 -8.0742E+03 1.7153E-01 2.3300E+00 CG 174 BOND = 105.0362 ANGLE = 255.7167 DIHED = 750.7298 VDWAALS = -1450.8667 EEL = -10954.0972 EGB = -2526.1453 1-4 VDW = 483.6313 1-4 EEL = 5261.8344 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 485 -8.0742E+03 2.1131E-01 3.7901E+00 CG 174 BOND = 105.0715 ANGLE = 255.7993 DIHED = 750.7202 VDWAALS = -1450.8739 EEL = -10954.1474 EGB = -2526.1606 1-4 VDW = 483.6055 1-4 EEL = 5261.8168 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 486 -8.0744E+03 1.9402E-01 2.9295E+00 CG 174 BOND = 105.0615 ANGLE = 255.9043 DIHED = 750.6253 VDWAALS = -1450.7554 EEL = -10954.5245 EGB = -2526.0825 1-4 VDW = 483.4433 1-4 EEL = 5261.9511 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 487 -8.0744E+03 2.3914E-01 4.7185E+00 CG 174 BOND = 105.0879 ANGLE = 255.9443 DIHED = 750.6030 VDWAALS = -1450.7228 EEL = -10954.6248 EGB = -2526.0619 1-4 VDW = 483.4009 1-4 EEL = 5261.9868 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 488 -8.0746E+03 1.9931E-01 3.5517E+00 CG 174 BOND = 105.2359 ANGLE = 255.5521 DIHED = 750.4830 VDWAALS = -1450.4912 EEL = -10954.9306 EGB = -2525.9469 1-4 VDW = 483.1739 1-4 EEL = 5262.3117 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 489 -8.0746E+03 2.0452E-01 3.7721E+00 CG 174 BOND = 105.2431 ANGLE = 255.5434 DIHED = 750.4804 VDWAALS = -1450.4848 EEL = -10954.9388 EGB = -2525.9439 1-4 VDW = 483.1679 1-4 EEL = 5262.3204 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 490 -8.0748E+03 2.0734E-01 4.1476E+00 CG 174 BOND = 105.5589 ANGLE = 255.2109 DIHED = 750.4468 VDWAALS = -1450.3284 EEL = -10955.3797 EGB = -2525.7255 1-4 VDW = 482.9456 1-4 EEL = 5262.5168 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 491 -8.0748E+03 1.7891E-01 3.1341E+00 CG 174 BOND = 105.5045 ANGLE = 255.2480 DIHED = 750.4497 VDWAALS = -1450.3488 EEL = -10955.3233 EGB = -2525.7533 1-4 VDW = 482.9738 1-4 EEL = 5262.4917 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 492 -8.0749E+03 1.5865E-01 3.6281E+00 CB 2254 BOND = 105.4362 ANGLE = 255.3941 DIHED = 750.4471 VDWAALS = -1450.3045 EEL = -10955.5237 EGB = -2525.7231 1-4 VDW = 482.8507 1-4 EEL = 5262.5314 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 493 -8.0749E+03 1.9202E-01 4.3679E+00 CB 2254 BOND = 105.4380 ANGLE = 255.4362 DIHED = 750.4475 VDWAALS = -1450.2935 EEL = -10955.5719 EGB = -2525.7159 1-4 VDW = 482.8213 1-4 EEL = 5262.5410 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 494 -8.0751E+03 1.6193E-01 1.6984E+00 CB 2254 BOND = 105.3712 ANGLE = 255.6647 DIHED = 750.3905 VDWAALS = -1450.3414 EEL = -10955.6419 EGB = -2525.7159 1-4 VDW = 482.7594 1-4 EEL = 5262.4310 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 495 -8.0751E+03 2.1937E-01 3.1558E+00 CG 174 BOND = 105.3774 ANGLE = 255.7920 DIHED = 750.3681 VDWAALS = -1450.3622 EEL = -10955.6741 EGB = -2525.7162 1-4 VDW = 482.7315 1-4 EEL = 5262.3806 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 496 -8.0753E+03 2.1630E-01 4.2736E+00 CG 2018 BOND = 105.4207 ANGLE = 256.0966 DIHED = 750.2767 VDWAALS = -1450.5586 EEL = -10955.5873 EGB = -2525.7517 1-4 VDW = 482.6707 1-4 EEL = 5262.1345 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 497 -8.0753E+03 2.0452E-01 3.9213E+00 CG 2018 BOND = 105.4118 ANGLE = 256.0769 DIHED = 750.2809 VDWAALS = -1450.5484 EEL = -10955.5918 EGB = -2525.7498 1-4 VDW = 482.6738 1-4 EEL = 5262.1475 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 498 -8.0755E+03 2.0005E-01 5.0121E+00 CG 2018 BOND = 105.2903 ANGLE = 256.6204 DIHED = 750.2474 VDWAALS = -1450.6858 EEL = -10955.7911 EGB = -2525.7563 1-4 VDW = 482.5978 1-4 EEL = 5262.0024 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 499 -8.0755E+03 2.0451E-01 5.2133E+00 CG 2018 BOND = 105.2903 ANGLE = 256.6336 DIHED = 750.2468 VDWAALS = -1450.6888 EEL = -10955.7955 EGB = -2525.7565 1-4 VDW = 482.5961 1-4 EEL = 5261.9991 RESTRAINT = 0.0000 NSTEP ENERGY RMS GMAX NAME NUMBER 500 -8.0757E+03 2.8410E-01 6.2304E+00 CG 2018 BOND = 105.2303 ANGLE = 256.8987 DIHED = 750.1770 VDWAALS = -1450.7546 EEL = -10956.1393 EGB = -2525.6615 1-4 VDW = 482.5382 1-4 EEL = 5262.0248 RESTRAINT = 0.0000 Maximum number of minimization cycles reached. FINAL RESULTS NSTEP ENERGY RMS GMAX NAME NUMBER 500 -8.0757E+03 2.8410E-01 6.2304E+00 CG 2018 BOND = 105.2303 ANGLE = 256.8987 DIHED = 750.1770 VDWAALS = -1450.7546 EEL = -10956.1393 EGB = -2525.6615 1-4 VDW = 482.5382 1-4 EEL = 5262.0248 RESTRAINT = 0.0000 -------------------------------------------------------------------------------- 5. TIMINGS -------------------------------------------------------------------------------- | Calc gb radii 146.27 (17.38% of Gen B) | Calc gb diag 313.21 (37.23% of Gen B) | Calc gb off-diag 381.86 (45.39% of Gen B) | Gen Born time 841.35 (100.0% of Nonbo) | Nonbond force 841.35 (99.58% of Force) | Bond/Angle/Dihedral 3.53 ( 0.42% of Force) | Force time 844.88 (100.0% of Runmd) | Runmd Time 844.88 (99.89% of Total) | Other 0.89 ( 0.11% of Total) | Total time 845.78 (100.0% of ALL ) | Highest rstack allocated: 0 | Highest istack allocated: 0 | Job began at 07:09:48.067 on 06/25/2009 | Setup done at 07:09:48.132 on 06/25/2009 | Run done at 07:23:53.852 on 06/25/2009 | wallclock() was called 9008 times