1 T0105 - beta ff -323.0333
2 SEED=-7203457 ONE_LETTER MINIMIZE PDBOUT
3 MAXMIN=2000 MAXFUN=5000
4 WSC=1.00000 WSCP=1.10684 WELEC=0.70000 WANG=0.80775 WSCLOC=1.91939 WEL_LOC=2.5 & &
5 WTOR=3.36070 WTORD=0.0 WCORRH=2.50000 WCORR5=0.99949 WCORR6=0.46247 &
6 WTURN3=1.80121 WTURN4=4.35377 WTURN6=0.10000 CUTOFF=7.00000 WCORR4=0.00000
8 XDENINFKQSELPVTCGEVKGTLYKERFKQGTSKKCIQSEDKKWFTPREFEIEGDRGASKNWKLSIRCGGYTLKVLMENK
12 92.7310 97.0470 113.6840 120.6739 116.0900 117.9949 94.5290 93.0267
13 88.9717 96.7491 108.9800 120.4349 94.2871 132.0131 133.4188 107.1070
14 94.8441 94.9650 93.6692 94.1302 93.6662 107.5420 124.4939 97.1070
15 97.0280 124.0002 115.1849 93.5692 93.0494 95.7823 120.7900 125.4091
16 118.6428 95.6770 127.2229 118.0371 93.3649 92.8482 96.9283 89.3691
17 96.8360 127.4120 110.9859 117.1011 141.2509 116.7490 95.9369 93.8968
18 94.9680 94.5759 119.8967 94.3263 95.1342 95.3442 110.6531 112.1200
19 93.8640 108.2049 95.5501 100.4250 117.6310 94.0189 123.0210 94.6791
20 123.5499 98.0131 132.8949 92.5199 92.8229 134.2340 120.8388 118.4321
21 94.8489 119.0520 102.9131 122.8640 96.6019 96.0140 95.8010 126.2220
22 111.5751 118.9459 94.0711 123.6200 92.7411 92.5550 93.1128 92.1710
23 93.6399 93.2880 93.4060 93.8461 91.7960 94.5690
24 51.5650 -176.3290 -149.4960 -155.4380 174.7127 -175.5090 150.6826 -77.7451
25 66.3769 -127.4148 -176.2579 -178.2308 -176.3639 -136.8199 -76.7880 -9.2651
26 172.0390 -108.5342 42.7429 65.8020 -178.1932 -148.2482 -170.0170 -166.4161
27 -174.3619 -161.0811 -154.5767 -88.0864 8.1140 69.5422 -150.2961 -164.9118
28 -167.5209 -178.9570 -158.4009 -161.4172 90.7151 -13.9659 -94.9701 166.6793
29 -176.7421 -159.7328 -172.0061 173.5341 -171.9120 179.5621 105.2259 82.5690
30 109.7832 89.3010 -162.0320 52.4170 46.4608 101.8088 164.0229 -6.1953
31 -158.6471 -174.5711 -167.4192 -170.3560 178.2078 178.8401 -165.7122 -174.2978
32 -162.8570 172.6861 -13.9619 -45.0290 91.6779 -122.4760 -172.4030 -163.4972
33 -172.5128 -168.0082 176.9692 -173.1041 -172.9108 -173.2171 175.2821 -121.5120
34 -127.8531 56.0530 78.4351 -170.9920 65.9372 75.8230 85.6770 97.0601
35 83.1450 77.6030 114.3270 116.2850 86.4560
36 143.3600 137.0150 152.4440 165.5789 112.4070 149.1280 140.4540 137.3470
37 115.7750 133.0690 152.0950 122.4283 142.2981 143.6729 159.2470 0.0000
38 133.5710 142.7449 139.1340 0.0000 141.8929 150.5670 149.0831 141.6280
39 135.8870 158.1750 142.5480 138.8340 137.4940 0.0000 167.4650 123.1670
40 151.9620 139.1750 160.8140 167.9699 136.0850 116.4370 133.1830 141.7640
41 139.2970 158.3170 135.9120 152.5880 145.5781 122.2249 137.0080 132.9130
42 138.8620 132.3420 165.6780 132.3330 0.0000 145.2620 143.6180 0.0000
43 129.4890 118.8400 144.3520 146.2720 155.9990 138.3170 160.5030 116.7940
44 165.2840 142.5160 161.0229 162.2150 0.0000 106.1910 137.6330 160.8969
45 141.6600 168.6410 149.4520 159.3590 128.1510 145.4180 137.3580 153.5020
46 154.3330 122.6420 131.9510 119.0418 100.5520 116.1580 141.9170 138.1770
47 138.3250 138.7270 142.5389 141.9090 140.1070 137.8800
48 -124.9590 -85.4731 -21.0380 -111.5407 -83.7440 -177.3560 -112.6030 -110.6390
49 -75.9400 -83.8590 -27.2980 -130.1568 -73.3330 -92.1740 -120.5510 0.0000
50 -84.3280 -73.8371 -101.1730 0.0000 -74.1420 -29.9200 176.3399 -121.5670
51 -82.7900 177.9840 -6.6790 -83.2180 -103.0260 0.0000 -65.0910 -80.1190
52 -101.7260 -65.6040 -114.6350 -132.9720 -100.6590 -76.9930 -85.4720 -120.3790
53 -109.7480 -112.7060 -26.8400 -174.6840 -81.3540 -131.9120 -167.2720 -87.8180
54 -14.7800 -87.7580 -128.7150 -93.5240 0.0000 -128.6460 -125.1570 0.0000
55 -76.3410 -77.9560 -99.5730 -139.8340 173.3560 -91.3120 -151.8520 -76.5440
56 -135.9250 -133.9160 -126.6680 -126.4790 0.0000 -84.4390 -90.9790 -137.4550
57 -105.2000 -78.0350 -32.4740 -121.3330 -112.4400 -149.9790 -95.6780 171.1500
58 -24.9700 -131.3720 -90.1060 -123.7181 -110.9010 -76.3260 -74.0480 -125.7990
59 -88.4780 -88.0190 -73.7040 -74.3910 -85.3820 -107.9810