# Docking file generated by Hex 6.3 on Thu Mar 28 16:22:44 2013.

# ReceptorSourceFile: 3sfdB.pdb
# LigandSourceFile:   3sfdB-3sfdC_initial_docking.pdb
# ComplexSourceFile:  None
#
# Apply Euler rotation (alpha,beta,gamma) to ligand, then translate by (x y z)
#
# Format: Cluster Solution RMS Etotal x y z alpha beta gamma
#
# -----------------------------------------------------------
#
1 1 -1.00 -689.78  -0.853718 160.916237 -5.229516 5.641334 1.420007 2.360072
2 2 -1.00 -593.53  -2.029854 155.216721 -12.861213 5.562677 1.483725 2.205910
3 3 -1.00 -573.37  20.457775 111.873883 175.370062 5.506138 2.456286 3.835038
4 4 -1.00 -567.72  9.581148 108.602024 178.283744 5.544488 2.360790 4.011529
5 5 -1.00 -545.50  -0.706221 164.553150 -0.204011 5.542284 1.540663 2.275499
6 6 -1.00 -516.75  47.842472 1.060509 178.757412 1.601940 1.846183 4.968403
7 7 -1.00 -490.38  104.389643 41.608607 126.288418 1.785265 2.338256 0.053150
8 8 -1.00 -475.83  15.253817 111.395778 -41.991527 5.518861 1.106497 1.946381
9 9 -1.00 -464.57  29.044274 145.961202 -22.121581 5.306414 1.286241 2.163408
10 10 -1.00 -463.58  -2.260796 166.075756 2.439305 5.464685 1.657296 2.184030
11 12 -1.00 -459.69  37.515877 73.689460 194.674403 1.296037 2.483688 5.231294
12 14 -1.00 -455.73  2.286409 -6.815682 -56.934045 1.858106 1.299843 1.915353
13 15 -1.00 -447.97  83.895524 -2.279388 158.564902 1.707160 1.791263 5.295107
14 16 -1.00 -443.73  -16.698338 95.965978 -53.430647 5.577116 1.255169 1.580710
15 17 -1.00 -441.29  22.425498 149.927944 -18.124461 5.469905 1.252354 2.254710
16 18 -1.00 -434.51  26.768818 68.057692 188.178236 5.830489 2.660502 4.315007
17 19 -1.00 -433.72  19.649888 -49.632959 42.033867 2.368233 1.542667 2.648524
18 20 -1.00 -433.44  -27.069993 -50.125589 105.542742 0.810454 2.383298 0.571434
19 21 -1.00 -430.71  -106.081920 105.012731 107.089100 0.272633 2.228039 2.588391
20 22 -1.00 -426.45  49.810922 174.880270 107.178407 3.515602 1.959592 0.183115
21 23 -1.00 -423.74  -38.134901 45.071560 -37.870349 0.411758 1.300980 1.667379
22 24 -1.00 -423.71  -99.424489 99.766125 132.273041 0.314626 2.553009 2.511791
23 25 -1.00 -423.27  9.563779 74.731618 188.290841 5.717673 2.496241 4.333998
24 26 -1.00 -422.59  -29.147761 116.922429 -23.369839 0.016049 1.129431 2.176526
25 27 -1.00 -416.10  57.187086 174.898834 95.744229 3.487948 1.803854 0.155025
26 28 -1.00 -415.51  -20.785042 51.911236 -56.526370 0.851155 1.134825 1.828200
27 29 -1.00 -413.08  120.910275 29.243386 10.983808 1.959508 1.006729 6.108758
28 30 -1.00 -412.32  -5.594542 190.649026 84.123605 4.522172 0.826290 5.220563
29 31 -1.00 -411.16  -23.552819 175.595312 32.629565 5.702987 1.839309 2.403785
30 32 -1.00 -409.27  87.488046 1.546742 83.871188 1.630902 1.963141 0.232172
31 33 -1.00 -409.12  -86.860572 131.091111 42.653498 5.993687 1.853809 2.194277
32 34 -1.00 -408.70  -14.431308 -39.379219 -13.824220 1.171705 0.214349 4.820411
33 35 -1.00 -408.64  66.875271 30.392970 182.340698 1.641359 2.107146 5.177287
34 36 -1.00 -403.98  -78.155004 -23.283947 140.793729 1.941401 2.594833 2.877400
35 37 -1.00 -400.36  -30.224494 -50.939448 40.789066 0.870000 2.082880 1.178145
36 39 -1.00 -398.71  129.708562 21.957518 86.460175 2.034338 1.433493 6.181956
37 40 -1.00 -395.65  -109.479042 115.991412 75.069849 0.025580 2.105940 2.269319
38 42 -1.00 -394.82  29.434194 165.661186 11.916304 5.392541 1.350862 2.503791
39 43 -1.00 -392.58  43.682378 149.271818 -11.741800 5.305625 1.196654 2.391331
40 44 -1.00 -392.52  4.283708 174.353965 29.428391 5.659225 1.328195 2.719093
41 45 -1.00 -390.76  18.696186 -1.053421 185.029486 1.296260 1.858291 4.850616
42 47 -1.00 -388.74  70.786291 101.429122 170.256849 2.424841 2.288423 5.795529
43 48 -1.00 -388.67  13.735048 101.194090 -57.391339 0.460628 0.775751 1.945959
44 49 -1.00 -388.00  62.543784 25.848223 159.624497 1.050362 2.471953 5.852332
45 50 -1.00 -386.26  17.191816 -23.985824 -6.072705 2.391174 1.226433 2.360994
46 51 -1.00 -385.84  109.937022 34.210019 145.831764 2.176098 1.667344 5.266358
47 52 -1.00 -384.85  -58.136651 21.149627 -10.683178 1.271796 1.222157 2.336690
48 53 -1.00 -382.49  -39.018248 112.978703 -30.060721 5.889998 1.457059 1.872044
49 54 -1.00 -382.37  -23.785917 -1.949481 187.456220 4.679756 2.752599 4.716355
50 55 -1.00 -380.97  91.145526 -23.357554 4.838935 1.446579 1.239172 0.088814
51 56 -1.00 -380.65  -77.991731 53.013881 -2.613162 0.143865 1.697402 1.618205
52 58 -1.00 -379.10  118.674641 67.601538 114.415205 2.380800 1.789629 6.178381
53 59 -1.00 -377.72  102.822074 49.985701 155.953458 3.693203 1.557780 3.949058
54 60 -1.00 -376.76  -31.630867 84.584827 -50.454330 5.571602 1.284452 1.388157
55 61 -1.00 -374.52  80.694452 40.371617 157.096378 1.295949 2.536866 5.940887
56 62 -1.00 -374.08  -64.459654 68.708603 153.939469 1.306527 2.695246 3.337762
57 64 -1.00 -373.91  35.781695 152.582207 9.791548 5.617567 0.251718 3.265790
58 65 -1.00 -373.51  -53.171308 111.731735 160.208277 0.942666 2.975765 3.204736
59 66 -1.00 -373.23  -132.201843 31.190202 73.837455 5.790795 2.024465 0.153263
60 67 -1.00 -373.13  -86.499106 -16.145236 34.725095 1.498359 1.812984 2.759911
61 68 -1.00 -373.09  32.934763 161.125077 20.453343 5.434274 0.470029 3.320347
62 69 -1.00 -373.06  -13.906274 92.250518 -48.648110 5.621981 1.212310 1.605971
63 70 -1.00 -372.88  72.057577 56.855019 -24.657328 4.756470 0.261927 2.396257
64 71 -1.00 -372.25  -23.443183 105.685478 -40.034599 5.796121 1.313130 1.781702
65 72 -1.00 -370.96  -10.419312 -55.156902 22.378118 0.608952 1.632279 0.312205
66 73 -1.00 -370.19  -98.756858 119.850124 111.896105 0.046373 2.392436 2.388484
67 74 -1.00 -368.58  -38.963546 -12.488023 178.214560 2.759130 2.689206 3.512268
68 76 -1.00 -365.56  43.930257 58.419266 -39.727770 5.685995 0.365181 1.539558
69 77 -1.00 -363.25  -91.579162 -38.345189 82.892626 1.623717 1.442508 3.188417
70 78 -1.00 -361.99  -31.256831 162.179934 128.163051 6.068432 2.387581 2.904605
71 79 -1.00 -361.85  82.209636 86.519391 168.098236 2.395813 2.108466 5.754505
72 80 -1.00 -361.81  -26.263060 99.219728 -41.492019 5.953951 1.278416 1.818043
73 81 -1.00 -361.76  -91.922037 142.821059 48.540671 6.001484 1.929519 2.147298
74 82 -1.00 -361.61  13.806457 -58.456966 2.176488 1.606202 1.876414 1.685981
75 83 -1.00 -361.21  119.676571 72.260726 22.950264 2.285925 1.648325 0.595308
76 84 -1.00 -360.65  -83.233933 -47.809362 87.558202 0.663269 0.960758 5.216914
77 85 -1.00 -360.49  107.472173 39.029547 20.307783 2.098807 1.738961 0.756790
78 86 -1.00 -360.43  -73.121041 24.690858 -34.852267 0.479083 1.414531 1.309357
79 87 -1.00 -359.85  -15.785899 126.942052 -34.239522 5.579555 1.411483 1.867749
80 88 -1.00 -359.54  -105.015340 117.485375 56.953151 6.162847 1.981401 2.217354
81 89 -1.00 -359.25  -66.106788 29.418765 -8.422563 0.163186 1.611325 1.321068
82 90 -1.00 -358.91  125.830219 42.439705 65.269658 1.923356 1.465662 6.259899
83 91 -1.00 -358.64  3.245886 -14.293470 178.997484 1.219503 1.719264 4.785795
84 92 -1.00 -358.45  44.569605 178.874326 62.192275 3.616426 1.291237 6.280623
85 93 -1.00 -358.06  32.290949 158.412354 25.750075 4.475786 0.244168 4.589218
86 94 -1.00 -357.87  -43.337735 4.954243 -37.553331 1.391369 1.373697 2.146373
87 95 -1.00 -357.61  -72.737441 142.808563 68.507843 0.018565 1.199959 3.506143
88 96 -1.00 -357.54  99.088010 89.109164 129.779558 4.095360 2.531512 2.669397
89 97 -1.00 -356.75  128.183391 26.217061 40.556806 1.945938 1.473683 6.241794
90 98 -1.00 -356.51  32.455555 160.785413 0.701982 5.492594 1.186668 2.537084
91 99 -1.00 -355.75  33.540125 166.589704 15.760452 3.278710 0.325508 6.007163
92 101 -1.00 -355.19  95.946672 113.919732 12.378398 2.558392 0.812778 0.277182
93 102 -1.00 -354.70  -102.696990 112.568557 96.509722 0.027448 2.289716 2.255733
94 103 -1.00 -354.45  -104.156458 113.512948 125.585213 0.107791 1.133779 4.094777
95 104 -1.00 -354.28  104.628507 17.513637 91.856733 1.725650 1.880355 0.075995
96 105 -1.00 -353.89  107.775378 -6.359598 122.166793 1.799075 1.564060 5.917377
97 106 -1.00 -353.87  -40.746546 113.132354 -18.972820 5.941571 1.407340 1.836676
98 107 -1.00 -353.54  -51.311426 8.055084 182.959623 2.831516 2.759336 3.739003
99 108 -1.00 -352.27  64.687937 106.760530 170.892357 1.070448 2.710300 4.972625
100 109 -1.00 -352.08  9.497509 58.531478 186.250545 2.487542 2.397443 4.514467
101 110 -1.00 -352.06  -100.892499 122.834592 55.900517 6.209755 1.888533 2.372877
102 111 -1.00 -352.01  -49.705677 158.348540 150.088029 4.463883 1.793709 5.811698
103 112 -1.00 -351.92  -14.911333 177.578883 8.970523 5.608536 0.862884 3.101910
104 113 -1.00 -351.69  67.648300 70.304587 -30.807720 5.399148 0.261346 1.984119
105 114 -1.00 -351.51  -65.981135 82.203081 -23.000503 0.398143 1.411253 2.199933
106 115 -1.00 -351.31  -107.201054 108.654412 76.613380 6.275582 2.155864 2.105438
107 116 -1.00 -350.87  -0.210262 147.119954 -18.011905 5.671066 1.288690 2.214067
108 117 -1.00 -350.31  18.726438 128.923789 -25.902447 2.115713 0.263135 1.179970
109 118 -1.00 -350.15  -13.094673 151.888340 -16.372406 5.475952 1.583767 1.940273
110 119 -1.00 -350.11  -93.386024 122.973116 124.231154 0.137494 2.398731 2.605815
111 120 -1.00 -349.75  92.397168 -6.921982 146.793389 1.653976 1.811191 5.467143
112 121 -1.00 -349.74  -15.909053 182.203786 62.012401 4.597942 0.645773 5.216740
113 122 -1.00 -349.11  63.363843 146.085326 30.129992 3.250100 0.460113 5.803138
114 123 -1.00 -348.45  -11.440701 141.997098 -22.324967 5.661351 1.405262 2.097160
115 124 -1.00 -348.33  81.718816 153.371296 92.401139 3.072992 1.906043 0.185799
116 125 -1.00 -347.95  53.672953 150.643200 17.699528 4.850468 0.201855 3.955397
117 126 -1.00 -347.61  -47.553935 -21.419365 167.127844 2.448410 2.582704 3.317169
118 127 -1.00 -347.32  54.639407 168.831497 46.260758 3.373046 0.712866 5.789764
119 128 -1.00 -347.23  40.449971 125.195575 -10.055007 2.824178 0.786557 0.576920
120 129 -1.00 -347.20  111.941085 115.372452 95.380517 3.924154 0.893985 4.183337
121 130 -1.00 -347.09  79.184428 109.151173 160.375449 4.058016 1.450772 4.283996
122 131 -1.00 -345.19  -46.868267 126.533122 -8.481068 6.265759 1.309986 2.308189
123 132 -1.00 -344.96  -60.737235 -0.843024 172.545366 2.423110 2.680413 3.442865
124 133 -1.00 -344.92  88.515891 117.205090 143.088301 2.707113 2.001016 5.986949
125 134 -1.00 -344.63  41.057856 29.749374 182.236431 2.887226 1.881315 4.229080
126 135 -1.00 -344.05  27.208545 -39.907427 119.138054 1.052934 2.082000 0.071616
127 136 -1.00 -343.82  20.273559 194.339528 70.983306 5.194240 2.283304 2.644135
128 137 -1.00 -343.15  -40.766594 129.608721 -10.731983 6.094422 1.381360 2.181461
129 138 -1.00 -343.03  -107.354323 100.675306 66.864810 0.143267 2.009500 2.235366
130 139 -1.00 -342.62  -41.496097 177.157842 88.360514 4.584620 1.097000 5.665354
131 140 -1.00 -342.44  55.683754 -56.865521 104.426439 1.617550 1.123911 4.996431
132 141 -1.00 -342.42  6.086759 178.529626 37.171666 4.229218 0.549366 5.508404
133 142 -1.00 -342.38  -52.061181 106.079653 -32.952827 0.342630 1.212090 2.354480
134 143 -1.00 -342.17  51.364545 156.187434 37.695017 4.415331 0.367666 4.416501
135 144 -1.00 -342.04  85.983937 1.162482 90.498038 1.687102 2.195258 0.441875
136 145 -1.00 -341.65  96.692014 35.757899 10.882349 3.113217 0.300449 4.052780
137 146 -1.00 -341.14  119.928178 23.870899 119.035603 3.570400 2.062508 3.448614
138 147 -1.00 -340.98  -52.762905 37.083752 189.343435 0.718302 1.751616 4.376328
139 148 -1.00 -340.85  -69.243154 37.615240 175.473131 0.755070 1.656345 4.214985
140 149 -1.00 -340.69  -18.076977 -43.351026 9.738094 1.062002 1.870915 1.371777
141 150 -1.00 -340.55  36.663909 188.439186 76.852919 3.824246 1.039257 5.816998
142 151 -1.00 -340.51  41.781255 163.121327 20.553131 3.179763 0.700762 0.032147
143 152 -1.00 -340.42  98.689485 -4.508751 137.512736 1.598936 1.779014 5.578140
144 153 -1.00 -340.27  11.537477 35.284201 196.108505 0.782410 2.359478 5.296500
145 154 -1.00 -340.11  -32.051591 -31.067893 152.783883 0.868278 1.420557 4.878760
146 155 -1.00 -339.85  -114.657951 23.274795 143.503104 0.797652 1.514869 4.247433
147 156 -1.00 -339.84  70.080482 51.691929 171.718418 4.568623 2.778255 3.492590
148 157 -1.00 -339.43  -30.493575 -65.437617 106.958532 0.884822 1.168187 5.476734
149 158 -1.00 -339.21  -22.935490 -5.424258 185.416645 4.274664 2.761068 4.453651
150 159 -1.00 -338.30  -21.292367 162.091781 6.149460 5.730118 1.574253 2.323194
151 160 -1.00 -337.37  -33.608963 157.566388 143.862153 5.903850 2.695329 2.516050
152 161 -1.00 -336.89  -96.524732 122.895228 0.202576 0.596239 1.016903 3.040367
153 162 -1.00 -336.84  -2.073036 156.023091 -3.812271 3.139982 0.412059 0.364513
154 163 -1.00 -336.65  -72.096703 46.692007 187.403838 1.250218 2.179379 4.189348
155 164 -1.00 -336.53  129.160135 28.958967 32.297038 2.042827 1.174240 5.990285
156 165 -1.00 -336.51  -23.102319 188.275735 97.042071 4.127118 2.217277 0.550036
157 166 -1.00 -335.10  -90.115941 113.715505 18.771163 6.113169 1.666795 2.107218
158 167 -1.00 -334.88  -23.247254 135.079732 168.532713 0.142341 2.378308 3.527630
159 169 -1.00 -334.35  -67.517329 136.360121 139.039892 5.415553 1.206059 4.861321
160 170 -1.00 -334.30  42.152623 174.076942 47.715866 3.456398 0.813664 5.810536
161 171 -1.00 -333.74  -68.411902 78.004904 -36.131064 0.388793 1.003669 2.159187
162 172 -1.00 -333.60  -80.254207 74.485693 138.186477 0.905878 2.407091 3.170457
163 173 -1.00 -333.52  -8.210639 109.914812 -26.777720 1.080365 0.496852 2.035108
164 174 -1.00 -333.41  35.409295 138.100740 -23.223240 5.294552 1.203012 2.198451
165 175 -1.00 -333.27  -64.030126 27.179546 -40.132192 1.245895 1.229877 2.334152
166 176 -1.00 -333.12  21.984681 183.181014 46.524572 3.972350 0.723768 5.740854
167 178 -1.00 -332.92  46.948318 22.636600 190.905520 3.718276 2.169139 3.977255
168 180 -1.00 -330.86  -10.584510 127.630815 -32.724652 5.789087 1.283162 2.057042
169 181 -1.00 -330.81  -64.416547 -44.036619 129.955694 0.680531 1.290153 5.280548
170 182 -1.00 -330.67  81.394834 155.077926 84.845794 3.096816 1.743922 0.145239
171 183 -1.00 -330.50  -15.208934 134.959108 170.449064 0.248444 2.534873 3.544808
172 184 -1.00 -329.96  -23.264266 175.749823 42.456526 4.936648 0.493481 4.860759
173 185 -1.00 -329.94  29.936221 159.679209 1.164059 5.683346 0.965753 2.690677
174 186 -1.00 -329.81  52.479196 143.309896 13.996676 3.451630 0.154269 5.498361
175 187 -1.00 -329.40  -17.932952 -13.948976 -49.368791 0.876181 1.231239 0.957683
176 188 -1.00 -329.19  65.193269 160.025719 38.822399 3.127121 0.926464 6.271253
177 189 -1.00 -329.13  11.947381 -34.265861 155.234938 0.975596 1.621139 5.190478
178 190 -1.00 -328.88  -50.958559 152.298783 32.157925 5.805001 0.474478 4.099948
179 191 -1.00 -328.82  -38.054654 73.739884 -53.243526 1.976769 0.652732 1.635388
180 192 -1.00 -327.93  71.914522 145.756869 45.808857 3.632338 0.477020 5.169687
181 193 -1.00 -327.64  -95.680347 83.983423 41.202583 6.083944 2.050136 1.500547
182 194 -1.00 -327.46  31.136620 -60.191200 114.646628 1.087109 1.456282 5.860480
183 195 -1.00 -327.43  0.028236 58.404483 181.916138 2.708100 2.505314 4.458766
184 196 -1.00 -327.33  25.464383 175.233462 12.008986 3.308613 0.864748 0.226035
185 197 -1.00 -326.86  82.840696 143.158968 91.506450 3.776471 0.827579 4.813019
186 198 -1.00 -326.39  118.290328 88.300872 120.530104 2.519813 1.722886 6.084079
187 199 -1.00 -326.31  123.124922 73.899644 75.753345 3.678439 0.717046 4.096717
188 200 -1.00 -326.21  -82.376775 -28.796168 131.760680 0.368165 1.386710 5.462866
189 201 -1.00 -325.96  -107.847569 -17.871409 124.278018 0.711016 1.207004 4.707488
190 203 -1.00 -325.63  57.862571 166.880774 52.881348 4.864517 0.636997 3.777782
191 204 -1.00 -325.58  113.833270 18.115722 131.828175 1.977992 1.627197 5.440461
192 205 -1.00 -325.55  -81.903376 125.662275 133.598490 5.775561 1.145440 4.622914
193 206 -1.00 -324.62  36.430363 162.864541 113.346939 4.229225 1.020424 4.783819
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764 809 -1.00 -255.35  -42.631074 59.013327 193.266577 0.847927 2.095182 4.070464
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768 813 -1.00 -254.88  -2.384586 177.757789 13.587920 3.522530 0.650336 0.096971
769 814 -1.00 -254.84  -41.536842 155.186894 127.584880 5.702992 2.777595 2.033403
770 815 -1.00 -254.80  -45.578519 116.472630 -12.140599 5.998287 1.453308 1.894868
771 816 -1.00 -254.62  -76.068180 153.677353 35.616711 5.915098 1.764364 2.244191
