MM GB PB MS PB_SURFTEN 0.0072 PB_SURFOFF 0.00 GB_SURFTEN 0.0072 GB_SURFOFF 0.00 1 BOND = 25.5372 ANGLE = 82.8246 DIHED = 65.2877 VDWAALS = -4.0037 EEL = -2.7428 EGB = -5.3221 1-4 VDW = 27.0393 1-4 EEL = -26.7037 RESTRAINT = 0.0000 corrected reaction field energy: -12.278233 surface area = 1202.517 ECAVITY = 1202.517 EDISPER = 0.0000 2 BOND = 12.5637 ANGLE = 79.6092 DIHED = 63.6901 VDWAALS = -4.1184 EEL = -2.4222 EGB = -5.5894 1-4 VDW = 28.3496 1-4 EEL = -26.8846 RESTRAINT = 0.0000 corrected reaction field energy: -12.750783 surface area = 1162.202 ECAVITY = 1162.202 EDISPER = 0.0000 3 BOND = 24.3309 ANGLE = 78.6472 DIHED = 63.9727 VDWAALS = 4.2993 EEL = -2.9577 EGB = -5.7210 1-4 VDW = 28.3556 1-4 EEL = -26.1023 RESTRAINT = 0.0000 corrected reaction field energy: -12.747260 surface area = 1128.699 ECAVITY = 1128.699 EDISPER = 0.0000 4 BOND = 15.0708 ANGLE = 79.5498 DIHED = 60.1322 VDWAALS = -5.5555 EEL = -1.2684 EGB = -5.7388 1-4 VDW = 27.2252 1-4 EEL = -27.9093 RESTRAINT = 0.0000 corrected reaction field energy: -13.225010 surface area = 1152.364 ECAVITY = 1152.364 EDISPER = 0.0000 5 BOND = 19.7119 ANGLE = 81.7953 DIHED = 60.3262 VDWAALS = 0.2246 EEL = -1.3784 EGB = -5.1737 1-4 VDW = 27.1460 1-4 EEL = -28.1477 RESTRAINT = 0.0000 corrected reaction field energy: -12.195701 surface area = 1164.135 ECAVITY = 1164.135 EDISPER = 0.0000 6 BOND = 18.5035 ANGLE = 72.6231 DIHED = 58.4623 VDWAALS = -4.2332 EEL = -2.3323 EGB = -5.0629 1-4 VDW = 28.1868 1-4 EEL = -27.3051 RESTRAINT = 0.0000 corrected reaction field energy: -11.928476 surface area = 1144.355 ECAVITY = 1144.355 EDISPER = 0.0000 7 BOND = 24.5537 ANGLE = 79.3973 DIHED = 60.5840 VDWAALS = -0.6997 EEL = -2.4951 EGB = -5.3131 1-4 VDW = 27.5957 1-4 EEL = -27.8103 RESTRAINT = 0.0000 corrected reaction field energy: -12.840361 surface area = 1204.493 ECAVITY = 1204.493 EDISPER = 0.0000 8 BOND = 20.6506 ANGLE = 90.6410 DIHED = 59.2124 VDWAALS = -5.5186 EEL = -2.2995 EGB = -5.1717 1-4 VDW = 27.0811 1-4 EEL = -26.6580 RESTRAINT = 0.0000 corrected reaction field energy: -11.643303 surface area = 1157.278 ECAVITY = 1157.278 EDISPER = 0.0000 9 BOND = 19.5309 ANGLE = 73.3822 DIHED = 62.4257 VDWAALS = -5.9036 EEL = -2.4108 EGB = -4.9555 1-4 VDW = 26.8981 1-4 EEL = -27.3187 RESTRAINT = 0.0000 corrected reaction field energy: -11.753346 surface area = 1146.995 ECAVITY = 1146.995 EDISPER = 0.0000 10 BOND = 26.2311 ANGLE = 73.3522 DIHED = 65.4897 VDWAALS = 0.7433 EEL = -2.2423 EGB = -5.1701 1-4 VDW = 25.4903 1-4 EEL = -27.6728 RESTRAINT = 0.0000 corrected reaction field energy: -11.980311 surface area = 1145.696 ECAVITY = 1145.696 EDISPER = 0.0000 11 BOND = 17.1542 ANGLE = 71.2014 DIHED = 61.5842 VDWAALS = -2.6107 EEL = -2.6605 EGB = -4.7920 1-4 VDW = 26.0182 1-4 EEL = -27.5677 RESTRAINT = 0.0000 corrected reaction field energy: -11.176792 surface area = 1141.819 ECAVITY = 1141.819 EDISPER = 0.0000 12 BOND = 20.2391 ANGLE = 84.8113 DIHED = 64.2792 VDWAALS = -4.9040 EEL = -2.9706 EGB = -5.2258 1-4 VDW = 26.7070 1-4 EEL = -26.2494 RESTRAINT = 0.0000 corrected reaction field energy: -12.467622 surface area = 1157.104 ECAVITY = 1157.104 EDISPER = 0.0000 13 BOND = 10.7893 ANGLE = 74.3065 DIHED = 69.0264 VDWAALS = -5.4264 EEL = -2.6302 EGB = -5.3704 1-4 VDW = 27.2605 1-4 EEL = -27.1862 RESTRAINT = 0.0000 corrected reaction field energy: -12.742731 surface area = 1147.114 ECAVITY = 1147.114 EDISPER = 0.0000 14 BOND = 22.0276 ANGLE = 71.5987 DIHED = 62.7309 VDWAALS = -5.2912 EEL = -2.5800 EGB = -4.9851 1-4 VDW = 27.4053 1-4 EEL = -27.2462 RESTRAINT = 0.0000 corrected reaction field energy: -12.561226 surface area = 1110.162 ECAVITY = 1110.162 EDISPER = 0.0000 15 BOND = 24.6723 ANGLE = 69.1256 DIHED = 62.1723 VDWAALS = -0.9356 EEL = -2.2343 EGB = -5.5415 1-4 VDW = 25.1359 1-4 EEL = -27.1564 RESTRAINT = 0.0000 corrected reaction field energy: -12.693748 surface area = 1138.660 ECAVITY = 1138.660 EDISPER = 0.0000 16 BOND = 28.3350 ANGLE = 74.3624 DIHED = 65.8888 VDWAALS = -3.4817 EEL = -3.2575 EGB = -5.6172 1-4 VDW = 23.5199 1-4 EEL = -26.9328 RESTRAINT = 0.0000 corrected reaction field energy: -12.897228 surface area = 1122.525 ECAVITY = 1122.525 EDISPER = 0.0000 17 BOND = 24.3096 ANGLE = 66.7652 DIHED = 66.9585 VDWAALS = -5.0075 EEL = -2.7615 EGB = -5.6798 1-4 VDW = 23.9259 1-4 EEL = -26.6562 RESTRAINT = 0.0000 corrected reaction field energy: -12.475003 surface area = 1149.086 ECAVITY = 1149.086 EDISPER = 0.0000 18 BOND = 22.2861 ANGLE = 76.3001 DIHED = 64.0451 VDWAALS = -7.0826 EEL = -2.9923 EGB = -5.2875 1-4 VDW = 25.4989 1-4 EEL = -26.2869 RESTRAINT = 0.0000 corrected reaction field energy: -12.321177 surface area = 1167.923 ECAVITY = 1167.923 EDISPER = 0.0000 19 BOND = 18.9321 ANGLE = 79.5127 DIHED = 63.4677 VDWAALS = -3.0486 EEL = -0.5258 EGB = -6.2214 1-4 VDW = 25.6916 1-4 EEL = -28.5737 RESTRAINT = 0.0000 corrected reaction field energy: -13.571747 surface area = 1215.007 ECAVITY = 1215.007 EDISPER = 0.0000 20 BOND = 15.9555 ANGLE = 71.9224 DIHED = 61.7310 VDWAALS = -1.2836 EEL = -3.4230 EGB = -5.0259 1-4 VDW = 28.9137 1-4 EEL = -25.9473 RESTRAINT = 0.0000 corrected reaction field energy: -12.178087 surface area = 1119.277 ECAVITY = 1119.277 EDISPER = 0.0000 21 BOND = 15.9345 ANGLE = 69.3397 DIHED = 66.2543 VDWAALS = 0.0930 EEL = -2.8334 EGB = -5.3825 1-4 VDW = 27.4130 1-4 EEL = -25.8734 RESTRAINT = 0.0000 corrected reaction field energy: -11.871945 surface area = 1114.770 ECAVITY = 1114.770 EDISPER = 0.0000 22 BOND = 22.6441 ANGLE = 76.4165 DIHED = 65.6208 VDWAALS = -6.3874 EEL = -1.7557 EGB = -5.2774 1-4 VDW = 26.3539 1-4 EEL = -27.7561 RESTRAINT = 0.0000 corrected reaction field energy: -11.773308 surface area = 1116.146 ECAVITY = 1116.146 EDISPER = 0.0000 23 BOND = 20.9331 ANGLE = 69.6208 DIHED = 59.7389 VDWAALS = -7.1213 EEL = -1.8564 EGB = -5.2404 1-4 VDW = 25.0517 1-4 EEL = -27.9419 RESTRAINT = 0.0000 corrected reaction field energy: -12.086328 surface area = 1122.895 ECAVITY = 1122.895 EDISPER = 0.0000 24 BOND = 22.5655 ANGLE = 73.0332 DIHED = 68.1319 VDWAALS = -2.4228 EEL = -2.8518 EGB = -4.9580 1-4 VDW = 26.5304 1-4 EEL = -27.2671 RESTRAINT = 0.0000 corrected reaction field energy: -11.607740 surface area = 1137.258 ECAVITY = 1137.258 EDISPER = 0.0000 25 BOND = 22.8028 ANGLE = 76.9927 DIHED = 62.5916 VDWAALS = -4.5065 EEL = -1.5658 EGB = -5.4137 1-4 VDW = 23.5284 1-4 EEL = -28.2318 RESTRAINT = 0.0000 corrected reaction field energy: -13.062293 surface area = 1216.837 ECAVITY = 1216.837 EDISPER = 0.0000 26 BOND = 20.3999 ANGLE = 87.8885 DIHED = 68.1439 VDWAALS = -7.6045 EEL = -2.6667 EGB = -5.8740 1-4 VDW = 23.9504 1-4 EEL = -26.4917 RESTRAINT = 0.0000 corrected reaction field energy: -12.776784 surface area = 1159.653 ECAVITY = 1159.653 EDISPER = 0.0000 27 BOND = 23.4968 ANGLE = 73.3216 DIHED = 65.7848 VDWAALS = -0.3966 EEL = -2.4318 EGB = -4.9138 1-4 VDW = 27.9377 1-4 EEL = -26.9887 RESTRAINT = 0.0000 corrected reaction field energy: -11.083859 surface area = 1124.312 ECAVITY = 1124.312 EDISPER = 0.0000 28 BOND = 26.6348 ANGLE = 71.0176 DIHED = 61.0081 VDWAALS = -3.6252 EEL = -2.7819 EGB = -5.5614 1-4 VDW = 23.2712 1-4 EEL = -26.1856 RESTRAINT = 0.0000 corrected reaction field energy: -12.022248 surface area = 1139.206 ECAVITY = 1139.206 EDISPER = 0.0000 29 BOND = 22.3374 ANGLE = 76.6304 DIHED = 62.9186 VDWAALS = -5.6013 EEL = -2.1703 EGB = -5.4486 1-4 VDW = 26.1163 1-4 EEL = -28.2574 RESTRAINT = 0.0000 corrected reaction field energy: -12.936313 surface area = 1177.935 ECAVITY = 1177.935 EDISPER = 0.0000 30 BOND = 20.1558 ANGLE = 71.7040 DIHED = 64.8912 VDWAALS = -2.0685 EEL = -2.1843 EGB = -4.6136 1-4 VDW = 27.6451 1-4 EEL = -27.0752 RESTRAINT = 0.0000 corrected reaction field energy: -11.138042 surface area = 1120.722 ECAVITY = 1120.722 EDISPER = 0.0000 31 BOND = 19.3711 ANGLE = 84.4227 DIHED = 62.7166 VDWAALS = -4.8736 EEL = -2.7580 EGB = -5.0531 1-4 VDW = 24.3547 1-4 EEL = -26.9109 RESTRAINT = 0.0000 corrected reaction field energy: -12.326042 surface area = 1171.807 ECAVITY = 1171.807 EDISPER = 0.0000 32 BOND = 20.7860 ANGLE = 86.0427 DIHED = 62.2233 VDWAALS = -5.1303 EEL = -2.8052 EGB = -5.8479 1-4 VDW = 24.6607 1-4 EEL = -26.5462 RESTRAINT = 0.0000 corrected reaction field energy: -12.902931 surface area = 1169.547 ECAVITY = 1169.547 EDISPER = 0.0000 33 BOND = 29.9647 ANGLE = 77.7786 DIHED = 62.2621 VDWAALS = -4.1969 EEL = -2.0636 EGB = -5.4771 1-4 VDW = 24.3379 1-4 EEL = -27.3199 RESTRAINT = 0.0000 corrected reaction field energy: -12.503688 surface area = 1197.270 ECAVITY = 1197.270 EDISPER = 0.0000 34 BOND = 22.4632 ANGLE = 74.4864 DIHED = 65.4527 VDWAALS = -7.8098 EEL = -1.7857 EGB = -5.3647 1-4 VDW = 23.8747 1-4 EEL = -27.6740 RESTRAINT = 0.0000 corrected reaction field energy: -12.374857 surface area = 1131.436 ECAVITY = 1131.436 EDISPER = 0.0000 35 BOND = 27.8590 ANGLE = 76.7209 DIHED = 63.0142 VDWAALS = -3.3417 EEL = -1.8504 EGB = -5.0411 1-4 VDW = 26.2455 1-4 EEL = -27.8335 RESTRAINT = 0.0000 corrected reaction field energy: -12.098574 surface area = 1132.626 ECAVITY = 1132.626 EDISPER = 0.0000 36 BOND = 13.4581 ANGLE = 84.4643 DIHED = 64.4777 VDWAALS = -5.7167 EEL = -1.5744 EGB = -5.3875 1-4 VDW = 28.0479 1-4 EEL = -28.2486 RESTRAINT = 0.0000 corrected reaction field energy: -12.711697 surface area = 1127.108 ECAVITY = 1127.108 EDISPER = 0.0000 37 BOND = 24.3402 ANGLE = 75.3265 DIHED = 64.1690 VDWAALS = -4.2437 EEL = -2.1129 EGB = -5.4567 1-4 VDW = 26.7598 1-4 EEL = -27.3885 RESTRAINT = 0.0000 corrected reaction field energy: -12.511572 surface area = 1136.264 ECAVITY = 1136.264 EDISPER = 0.0000 38 BOND = 21.4882 ANGLE = 74.6264 DIHED = 62.8328 VDWAALS = -8.1001 EEL = -2.5860 EGB = -5.5131 1-4 VDW = 24.2928 1-4 EEL = -27.0125 RESTRAINT = 0.0000 corrected reaction field energy: -12.360095 surface area = 1146.681 ECAVITY = 1146.681 EDISPER = 0.0000 39 BOND = 10.0287 ANGLE = 61.0214 DIHED = 64.5154 VDWAALS = 1.2475 EEL = -2.9771 EGB = -5.2666 1-4 VDW = 30.5841 1-4 EEL = -26.6754 RESTRAINT = 0.0000 corrected reaction field energy: -12.894879 surface area = 1135.595 ECAVITY = 1135.595 EDISPER = 0.0000 40 BOND = 26.8507 ANGLE = 66.9900 DIHED = 61.2737 VDWAALS = -5.4517 EEL = -1.7002 EGB = -5.9112 1-4 VDW = 22.7310 1-4 EEL = -27.6226 RESTRAINT = 0.0000 corrected reaction field energy: -12.933462 surface area = 1154.075 ECAVITY = 1154.075 EDISPER = 0.0000 41 BOND = 20.6597 ANGLE = 70.9539 DIHED = 65.3290 VDWAALS = -1.9522 EEL = -1.8573 EGB = -5.5502 1-4 VDW = 27.4893 1-4 EEL = -28.6265 RESTRAINT = 0.0000 corrected reaction field energy: -13.272818 surface area = 1168.124 ECAVITY = 1168.124 EDISPER = 0.0000 42 BOND = 19.0845 ANGLE = 76.6759 DIHED = 61.6214 VDWAALS = -2.5547 EEL = 0.9932 EGB = -6.3257 1-4 VDW = 25.6208 1-4 EEL = -29.6738 RESTRAINT = 0.0000 corrected reaction field energy: -13.603787 surface area = 1157.192 ECAVITY = 1157.192 EDISPER = 0.0000 43 BOND = 22.0880 ANGLE = 86.0477 DIHED = 61.7975 VDWAALS = -6.6464 EEL = 0.3429 EGB = -5.3852 1-4 VDW = 27.2018 1-4 EEL = -29.7221 RESTRAINT = 0.0000 corrected reaction field energy: -12.298363 surface area = 1126.894 ECAVITY = 1126.894 EDISPER = 0.0000 44 BOND = 16.6137 ANGLE = 74.7142 DIHED = 65.2131 VDWAALS = -4.1666 EEL = -0.7142 EGB = -5.7669 1-4 VDW = 27.8927 1-4 EEL = -28.0127 RESTRAINT = 0.0000 corrected reaction field energy: -12.970031 surface area = 1139.892 ECAVITY = 1139.892 EDISPER = 0.0000 45 BOND = 18.2231 ANGLE = 71.3500 DIHED = 64.7599 VDWAALS = -5.0919 EEL = -0.3524 EGB = -5.8106 1-4 VDW = 26.4334 1-4 EEL = -28.3497 RESTRAINT = 0.0000 corrected reaction field energy: -13.200015 surface area = 1137.872 ECAVITY = 1137.872 EDISPER = 0.0000 46 BOND = 25.4706 ANGLE = 76.8479 DIHED = 60.7614 VDWAALS = -5.5171 EEL = -0.8815 EGB = -5.3665 1-4 VDW = 26.1538 1-4 EEL = -27.3820 RESTRAINT = 0.0000 corrected reaction field energy: -12.624971 surface area = 1146.334 ECAVITY = 1146.334 EDISPER = 0.0000 47 BOND = 17.2450 ANGLE = 88.9911 DIHED = 61.8730 VDWAALS = -5.4970 EEL = -0.3759 EGB = -5.7694 1-4 VDW = 27.2520 1-4 EEL = -28.9682 RESTRAINT = 0.0000 corrected reaction field energy: -12.942352 surface area = 1129.393 ECAVITY = 1129.393 EDISPER = 0.0000 48 BOND = 19.8452 ANGLE = 86.0473 DIHED = 58.9880 VDWAALS = -7.0209 EEL = -2.1512 EGB = -5.3686 1-4 VDW = 24.0399 1-4 EEL = -26.5871 RESTRAINT = 0.0000 corrected reaction field energy: -12.155776 surface area = 1137.574 ECAVITY = 1137.574 EDISPER = 0.0000 49 BOND = 18.5073 ANGLE = 73.0863 DIHED = 66.5609 VDWAALS = -4.1490 EEL = -3.0062 EGB = -5.2964 1-4 VDW = 29.1412 1-4 EEL = -25.7044 RESTRAINT = 0.0000 corrected reaction field energy: -12.458060 surface area = 1115.249 ECAVITY = 1115.249 EDISPER = 0.0000 50 BOND = 24.0431 ANGLE = 77.7439 DIHED = 60.0715 VDWAALS = -0.9756 EEL = -1.5118 EGB = -5.6751 1-4 VDW = 24.4598 1-4 EEL = -27.8903 RESTRAINT = 0.0000 corrected reaction field energy: -13.007775 surface area = 1187.224 ECAVITY = 1187.224 EDISPER = 0.0000 51 BOND = 20.0624 ANGLE = 72.3603 DIHED = 62.9267 VDWAALS = -5.8664 EEL = -2.2839 EGB = -5.4591 1-4 VDW = 24.5242 1-4 EEL = -27.1433 RESTRAINT = 0.0000 corrected reaction field energy: -12.432730 surface area = 1142.065 ECAVITY = 1142.065 EDISPER = 0.0000 52 BOND = 17.4071 ANGLE = 74.4523 DIHED = 64.4202 VDWAALS = -4.0851 EEL = -2.2998 EGB = -5.2058 1-4 VDW = 26.1606 1-4 EEL = -27.3169 RESTRAINT = 0.0000 corrected reaction field energy: -12.871394 surface area = 1135.795 ECAVITY = 1135.795 EDISPER = 0.0000 53 BOND = 31.4151 ANGLE = 73.1581 DIHED = 60.8653 VDWAALS = -5.1969 EEL = -2.0504 EGB = -5.9228 1-4 VDW = 21.9864 1-4 EEL = -26.4574 RESTRAINT = 0.0000 corrected reaction field energy: -12.831302 surface area = 1146.527 ECAVITY = 1146.527 EDISPER = 0.0000 54 BOND = 24.1142 ANGLE = 75.4540 DIHED = 60.0305 VDWAALS = -5.6961 EEL = -2.4707 EGB = -5.7154 1-4 VDW = 25.2073 1-4 EEL = -26.9847 RESTRAINT = 0.0000 corrected reaction field energy: -13.205719 surface area = 1186.000 ECAVITY = 1186.000 EDISPER = 0.0000 55 BOND = 20.4075 ANGLE = 86.3121 DIHED = 65.6267 VDWAALS = -1.2681 EEL = -2.4099 EGB = -5.0097 1-4 VDW = 28.0067 1-4 EEL = -26.8757 RESTRAINT = 0.0000 corrected reaction field energy: -12.192514 surface area = 1158.090 ECAVITY = 1158.090 EDISPER = 0.0000 56 BOND = 17.7600 ANGLE = 84.3900 DIHED = 63.3339 VDWAALS = -2.7900 EEL = -1.9700 EGB = -5.1337 1-4 VDW = 26.3127 1-4 EEL = -28.0782 RESTRAINT = 0.0000 corrected reaction field energy: -13.040150 surface area = 1214.084 ECAVITY = 1214.084 EDISPER = 0.0000 57 BOND = 25.1519 ANGLE = 76.8921 DIHED = 61.9139 VDWAALS = -0.1884 EEL = -1.9796 EGB = -5.5854 1-4 VDW = 26.1100 1-4 EEL = -28.1663 RESTRAINT = 0.0000 corrected reaction field energy: -13.139290 surface area = 1180.399 ECAVITY = 1180.399 EDISPER = 0.0000 58 BOND = 24.7941 ANGLE = 89.1080 DIHED = 62.4511 VDWAALS = -2.2757 EEL = -2.1468 EGB = -5.5955 1-4 VDW = 26.3065 1-4 EEL = -27.2134 RESTRAINT = 0.0000 corrected reaction field energy: -13.411379 surface area = 1202.103 ECAVITY = 1202.103 EDISPER = 0.0000 59 BOND = 17.0069 ANGLE = 76.7719 DIHED = 61.6193 VDWAALS = -4.0344 EEL = -1.5441 EGB = -5.5373 1-4 VDW = 24.8015 1-4 EEL = -28.0963 RESTRAINT = 0.0000 corrected reaction field energy: -13.026059 surface area = 1182.158 ECAVITY = 1182.158 EDISPER = 0.0000 60 BOND = 16.6092 ANGLE = 66.6340 DIHED = 66.2368 VDWAALS = -5.3214 EEL = -1.8711 EGB = -5.0271 1-4 VDW = 27.8538 1-4 EEL = -28.4088 RESTRAINT = 0.0000 corrected reaction field energy: -12.529522 surface area = 1112.685 ECAVITY = 1112.685 EDISPER = 0.0000 61 BOND = 23.0620 ANGLE = 68.8255 DIHED = 63.2885 VDWAALS = -6.4091 EEL = -1.8614 EGB = -5.1121 1-4 VDW = 26.4806 1-4 EEL = -27.9292 RESTRAINT = 0.0000 corrected reaction field energy: -12.601486 surface area = 1119.313 ECAVITY = 1119.313 EDISPER = 0.0000 62 BOND = 21.3617 ANGLE = 90.1851 DIHED = 59.2555 VDWAALS = -4.1121 EEL = -2.2256 EGB = -5.2941 1-4 VDW = 26.3619 1-4 EEL = -27.3922 RESTRAINT = 0.0000 corrected reaction field energy: -12.240322 surface area = 1136.597 ECAVITY = 1136.597 EDISPER = 0.0000 63 BOND = 20.0847 ANGLE = 85.6720 DIHED = 62.8886 VDWAALS = -6.0666 EEL = -2.8555 EGB = -5.1135 1-4 VDW = 28.0105 1-4 EEL = -27.3364 RESTRAINT = 0.0000 corrected reaction field energy: -12.762693 surface area = 1157.248 ECAVITY = 1157.248 EDISPER = 0.0000 64 BOND = 19.6182 ANGLE = 72.9767 DIHED = 62.7467 VDWAALS = -0.1876 EEL = -3.1642 EGB = -5.0937 1-4 VDW = 27.9444 1-4 EEL = -26.4372 RESTRAINT = 0.0000 corrected reaction field energy: -12.608364 surface area = 1155.978 ECAVITY = 1155.978 EDISPER = 0.0000 65 BOND = 23.6584 ANGLE = 77.3829 DIHED = 60.6692 VDWAALS = -6.8424 EEL = -2.2049 EGB = -5.9748 1-4 VDW = 24.2624 1-4 EEL = -26.6504 RESTRAINT = 0.0000 corrected reaction field energy: -13.148181 surface area = 1182.178 ECAVITY = 1182.178 EDISPER = 0.0000 66 BOND = 20.0911 ANGLE = 64.2276 DIHED = 66.6988 VDWAALS = -3.8082 EEL = -2.5347 EGB = -5.6210 1-4 VDW = 28.1195 1-4 EEL = -27.5029 RESTRAINT = 0.0000 corrected reaction field energy: -13.137277 surface area = 1164.569 ECAVITY = 1164.569 EDISPER = 0.0000 67 BOND = 21.1196 ANGLE = 80.5732 DIHED = 61.1185 VDWAALS = -4.9514 EEL = -1.9875 EGB = -5.2079 1-4 VDW = 28.2652 1-4 EEL = -27.3353 RESTRAINT = 0.0000 corrected reaction field energy: -12.398342 surface area = 1110.972 ECAVITY = 1110.972 EDISPER = 0.0000 68 BOND = 17.3581 ANGLE = 70.8740 DIHED = 65.3723 VDWAALS = -5.0112 EEL = -2.0233 EGB = -5.2957 1-4 VDW = 27.7414 1-4 EEL = -28.4389 RESTRAINT = 0.0000 corrected reaction field energy: -12.787855 surface area = 1154.198 ECAVITY = 1154.198 EDISPER = 0.0000 69 BOND = 17.9127 ANGLE = 74.8570 DIHED = 63.3479 VDWAALS = -3.7770 EEL = -2.0828 EGB = -5.7300 1-4 VDW = 28.9290 1-4 EEL = -26.8545 RESTRAINT = 0.0000 corrected reaction field energy: -12.932958 surface area = 1156.355 ECAVITY = 1156.355 EDISPER = 0.0000 70 BOND = 14.9524 ANGLE = 84.3059 DIHED = 60.2806 VDWAALS = -3.3734 EEL = -1.9457 EGB = -5.4444 1-4 VDW = 26.3883 1-4 EEL = -27.6446 RESTRAINT = 0.0000 corrected reaction field energy: -12.838851 surface area = 1163.355 ECAVITY = 1163.355 EDISPER = 0.0000 71 BOND = 28.3460 ANGLE = 75.8762 DIHED = 64.4009 VDWAALS = -3.4606 EEL = -3.4713 EGB = -5.6165 1-4 VDW = 25.1414 1-4 EEL = -26.1811 RESTRAINT = 0.0000 corrected reaction field energy: -12.814527 surface area = 1165.094 ECAVITY = 1165.094 EDISPER = 0.0000 72 BOND = 24.2200 ANGLE = 81.0968 DIHED = 63.5333 VDWAALS = -0.9179 EEL = -2.0116 EGB = -6.0812 1-4 VDW = 23.7184 1-4 EEL = -26.8711 RESTRAINT = 0.0000 corrected reaction field energy: -13.259398 surface area = 1160.000 ECAVITY = 1160.000 EDISPER = 0.0000 73 BOND = 21.1164 ANGLE = 69.9431 DIHED = 59.7316 VDWAALS = -4.1627 EEL = -2.2258 EGB = -4.9516 1-4 VDW = 28.0864 1-4 EEL = -27.9474 RESTRAINT = 0.0000 corrected reaction field energy: -12.225560 surface area = 1164.318 ECAVITY = 1164.318 EDISPER = 0.0000 74 BOND = 22.4234 ANGLE = 84.3700 DIHED = 63.5188 VDWAALS = -4.2889 EEL = -2.3804 EGB = -5.7309 1-4 VDW = 27.4088 1-4 EEL = -25.9613 RESTRAINT = 0.0000 corrected reaction field energy: -13.050551 surface area = 1150.644 ECAVITY = 1150.644 EDISPER = 0.0000 75 BOND = 25.9329 ANGLE = 78.8017 DIHED = 61.8010 VDWAALS = -6.5575 EEL = -2.3019 EGB = -6.0566 1-4 VDW = 25.0583 1-4 EEL = -27.1789 RESTRAINT = 0.0000 corrected reaction field energy: -13.209577 surface area = 1170.854 ECAVITY = 1170.854 EDISPER = 0.0000 76 BOND = 20.3295 ANGLE = 71.1931 DIHED = 63.7419 VDWAALS = -5.0137 EEL = -3.0015 EGB = -5.2211 1-4 VDW = 24.7609 1-4 EEL = -26.3652 RESTRAINT = 0.0000 corrected reaction field energy: -12.576491 surface area = 1124.771 ECAVITY = 1124.771 EDISPER = 0.0000 77 BOND = 15.2642 ANGLE = 71.2257 DIHED = 61.4789 VDWAALS = -3.2921 EEL = -2.0292 EGB = -5.1945 1-4 VDW = 26.5468 1-4 EEL = -27.8096 RESTRAINT = 0.0000 corrected reaction field energy: -13.089804 surface area = 1156.404 ECAVITY = 1156.404 EDISPER = 0.0000 78 BOND = 25.8745 ANGLE = 70.5320 DIHED = 66.6625 VDWAALS = 0.7741 EEL = -1.7846 EGB = -5.7476 1-4 VDW = 24.9126 1-4 EEL = -27.5225 RESTRAINT = 0.0000 corrected reaction field energy: -13.571412 surface area = 1157.099 ECAVITY = 1157.099 EDISPER = 0.0000 79 BOND = 17.7587 ANGLE = 71.7991 DIHED = 62.8944 VDWAALS = -3.5459 EEL = -1.6173 EGB = -5.2626 1-4 VDW = 28.3922 1-4 EEL = -27.8732 RESTRAINT = 0.0000 corrected reaction field energy: -12.766551 surface area = 1120.110 ECAVITY = 1120.110 EDISPER = 0.0000 80 BOND = 17.4196 ANGLE = 80.1549 DIHED = 65.0617 VDWAALS = -4.7973 EEL = -2.2064 EGB = -5.2080 1-4 VDW = 27.2775 1-4 EEL = -26.9870 RESTRAINT = 0.0000 corrected reaction field energy: -13.130064 surface area = 1147.971 ECAVITY = 1147.971 EDISPER = 0.0000 81 BOND = 18.8636 ANGLE = 86.3050 DIHED = 63.9349 VDWAALS = -2.5229 EEL = -1.8586 EGB = -5.8606 1-4 VDW = 27.1504 1-4 EEL = -27.1650 RESTRAINT = 0.0000 corrected reaction field energy: -13.360048 surface area = 1171.403 ECAVITY = 1171.403 EDISPER = 0.0000 82 BOND = 22.0551 ANGLE = 67.2426 DIHED = 63.3962 VDWAALS = -4.7287 EEL = -1.8683 EGB = -5.4420 1-4 VDW = 25.0607 1-4 EEL = -28.0515 RESTRAINT = 0.0000 corrected reaction field energy: -13.073700 surface area = 1153.972 ECAVITY = 1153.972 EDISPER = 0.0000 83 BOND = 19.3487 ANGLE = 92.3580 DIHED = 61.3004 VDWAALS = -3.6639 EEL = -2.5816 EGB = -5.8518 1-4 VDW = 25.0908 1-4 EEL = -27.0960 RESTRAINT = 0.0000 corrected reaction field energy: -13.087120 surface area = 1188.822 ECAVITY = 1188.822 EDISPER = 0.0000 84 BOND = 18.8198 ANGLE = 70.9578 DIHED = 62.7700 VDWAALS = -4.4561 EEL = 0.4871 EGB = -4.8521 1-4 VDW = 27.0297 1-4 EEL = -30.3917 RESTRAINT = 0.0000 corrected reaction field energy: -12.108136 surface area = 1125.389 ECAVITY = 1125.389 EDISPER = 0.0000 85 BOND = 21.7412 ANGLE = 68.0181 DIHED = 63.1237 VDWAALS = -3.1862 EEL = -0.3091 EGB = -4.6411 1-4 VDW = 29.6315 1-4 EEL = -29.7743 RESTRAINT = 0.0000 corrected reaction field energy: -12.409078 surface area = 1155.108 ECAVITY = 1155.108 EDISPER = 0.0000 86 BOND = 22.6801 ANGLE = 71.3123 DIHED = 68.4373 VDWAALS = -5.6180 EEL = -0.7243 EGB = -5.1316 1-4 VDW = 28.2297 1-4 EEL = -29.3876 RESTRAINT = 0.0000 corrected reaction field energy: -12.977244 surface area = 1109.582 ECAVITY = 1109.582 EDISPER = 0.0000 87 BOND = 20.3256 ANGLE = 74.5657 DIHED = 67.6148 VDWAALS = -7.2962 EEL = -0.7935 EGB = -5.3922 1-4 VDW = 28.4313 1-4 EEL = -28.6451 RESTRAINT = 0.0000 corrected reaction field energy: -12.705155 surface area = 1128.789 ECAVITY = 1128.789 EDISPER = 0.0000 88 BOND = 18.7406 ANGLE = 82.7846 DIHED = 63.4274 VDWAALS = -5.4387 EEL = -1.2520 EGB = -4.9017 1-4 VDW = 28.8227 1-4 EEL = -28.6772 RESTRAINT = 0.0000 corrected reaction field energy: -12.991671 surface area = 1111.027 ECAVITY = 1111.027 EDISPER = 0.0000 89 BOND = 20.9039 ANGLE = 75.9757 DIHED = 64.5222 VDWAALS = -3.8422 EEL = -0.3674 EGB = -5.5615 1-4 VDW = 28.1323 1-4 EEL = -28.9576 RESTRAINT = 0.0000 corrected reaction field energy: -12.783662 surface area = 1132.504 ECAVITY = 1132.504 EDISPER = 0.0000 90 BOND = 26.3573 ANGLE = 68.9266 DIHED = 68.4147 VDWAALS = -4.2628 EEL = -0.3040 EGB = -5.5280 1-4 VDW = 25.9547 1-4 EEL = -28.9573 RESTRAINT = 0.0000 corrected reaction field energy: -12.768732 surface area = 1154.609 ECAVITY = 1154.609 EDISPER = 0.0000 91 BOND = 20.6766 ANGLE = 75.4690 DIHED = 65.1122 VDWAALS = -5.0253 EEL = -0.2319 EGB = -5.2005 1-4 VDW = 27.3887 1-4 EEL = -29.4978 RESTRAINT = 0.0000 corrected reaction field energy: -12.948895 surface area = 1143.607 ECAVITY = 1143.607 EDISPER = 0.0000 92 BOND = 21.6608 ANGLE = 74.8130 DIHED = 63.7003 VDWAALS = -3.7857 EEL = -0.6925 EGB = -5.6112 1-4 VDW = 25.3303 1-4 EEL = -28.6014 RESTRAINT = 0.0000 corrected reaction field energy: -13.553463 surface area = 1166.923 ECAVITY = 1166.923 EDISPER = 0.0000 93 BOND = 18.4726 ANGLE = 71.5220 DIHED = 62.7920 VDWAALS = -3.7106 EEL = 0.0949 EGB = -5.2274 1-4 VDW = 25.0154 1-4 EEL = -29.1826 RESTRAINT = 0.0000 corrected reaction field energy: -12.617590 surface area = 1204.728 ECAVITY = 1204.728 EDISPER = 0.0000 94 BOND = 17.9396 ANGLE = 78.6527 DIHED = 60.5920 VDWAALS = -1.7530 EEL = -1.5565 EGB = -5.9155 1-4 VDW = 27.8120 1-4 EEL = -27.8894 RESTRAINT = 0.0000 corrected reaction field energy: -13.062796 surface area = 1143.383 ECAVITY = 1143.383 EDISPER = 0.0000 95 BOND = 17.2428 ANGLE = 75.5465 DIHED = 60.2734 VDWAALS = -4.2649 EEL = -1.6101 EGB = -5.3554 1-4 VDW = 26.1324 1-4 EEL = -27.1923 RESTRAINT = 0.0000 corrected reaction field energy: -12.635036 surface area = 1146.001 ECAVITY = 1146.001 EDISPER = 0.0000 96 BOND = 21.3905 ANGLE = 75.5573 DIHED = 62.0233 VDWAALS = -4.8659 EEL = -0.3336 EGB = -5.6012 1-4 VDW = 26.3578 1-4 EEL = -28.7901 RESTRAINT = 0.0000 corrected reaction field energy: -13.101546 surface area = 1152.179 ECAVITY = 1152.179 EDISPER = 0.0000 97 BOND = 18.4500 ANGLE = 90.6536 DIHED = 63.3034 VDWAALS = -3.3802 EEL = -1.1645 EGB = -4.9986 1-4 VDW = 26.5661 1-4 EEL = -28.4537 RESTRAINT = 0.0000 corrected reaction field energy: -12.440447 surface area = 1106.095 ECAVITY = 1106.095 EDISPER = 0.0000 98 BOND = 15.7763 ANGLE = 81.4074 DIHED = 60.5027 VDWAALS = -2.6933 EEL = -1.2492 EGB = -5.0877 1-4 VDW = 25.0201 1-4 EEL = -28.0483 RESTRAINT = 0.0000 corrected reaction field energy: -11.867416 surface area = 1115.012 ECAVITY = 1115.012 EDISPER = 0.0000 99 BOND = 16.6516 ANGLE = 91.1511 DIHED = 69.2632 VDWAALS = -7.8258 EEL = -1.2125 EGB = -5.3885 1-4 VDW = 26.0320 1-4 EEL = -28.2917 RESTRAINT = 0.0000 corrected reaction field energy: -12.676973 surface area = 1126.233 ECAVITY = 1126.233 EDISPER = 0.0000 100 BOND = 25.1924 ANGLE = 70.8635 DIHED = 63.6055 VDWAALS = -8.8243 EEL = -0.9009 EGB = -5.6802 1-4 VDW = 24.3247 1-4 EEL = -28.1249 RESTRAINT = 0.0000 corrected reaction field energy: -13.090643 surface area = 1096.571 ECAVITY = 1096.571 EDISPER = 0.0000