SEQUENCE: EGQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIHAIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVHVDGHLYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAAMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGX
SCORE:     score     fa_atr     fa_rep     fa_sol    fa_intra_atr_xover4    fa_intra_rep_xover4    fa_intra_sol_xover4    lk_ball    lk_ball_iso    lk_ball_bridge    lk_ball_bridge_uncpl    fa_elec    fa_intra_elec    hbond_sr_bb    hbond_lr_bb    hbond_bb_sc    hbond_sc    dslf_fa13    coordinate_constraint      omega    fa_dun_dev    fa_dun_rot    fa_dun_semi    p_aa_pp    hxl_tors        ref    sugar_bb    rama_prepro    cart_bonded       time                           description
REMARK BINARY SILENTFILE
SCORE:  -1033.087  -1914.238    196.259   1336.420               -102.569                 33.665                 76.425    697.385       -738.558            -4.059                 -27.054   -690.329          -92.792       -135.690        -88.459        -79.193     -53.917        0.000                   22.281      5.034        23.995       145.035        296.464    -75.425      58.583   -125.543       0.000         14.993        188.201   7278.000 HKH_2021_1XD3_run_2_complex.71_chain_B_23_0000200002_0000001_0
RES_NUM A:1-229 B:230-304 z:1 HKH_2021_1XD3_run_2_complex.71_chain_B_23_0000200002_0000001_0
FOLD_TREE  EDGE 305 169 2  EDGE 169 1 -1  EDGE 169 229 -1  EDGE 1 230 1  EDGE 230 304 -1  HKH_2021_1XD3_run_2_complex.71_chain_B_23_0000200002_0000001_0
RT 0.796568 0.386272 -0.465052 0.208884 -0.897734 -0.387869 -0.567315 0.211822 -0.795792 -17.9536 12.3617 34.9312   HKH_2021_1XD3_run_2_complex.71_chain_B_23_0000200002_0000001_0
RT 0.223125 0.974392 -0.0278616 -0.567419 0.153067 0.809077 0.792623 -0.164716 0.587042 -1.39722 -1.08483 -3.63057   HKH_2021_1XD3_run_2_complex.71_chain_B_23_0000200002_0000001_0
ANNOTATED_SEQUENCE: E[GLU:NtermProteinFull]GQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIH[HIS_D]AIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVH[HIS_D]VDGH[HIS_D]LYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA[ALA:CtermProteinFull]M[MET:NtermProteinFull]QIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLH[HIS_D]LVLRLRG[GLY:CtermProteinFull]X HKH_2021_1XD3_run_2_complex.71_chain_B_23_0000200002_0000001_0
CHAIN_ENDINGS  229 HKH_2021_1XD3_run_2_complex.71_chain_B_23_0000200002_0000001_0
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LRRQ4A5iewJU0cQlQQS6uA180zJEeOTlQPqxqA1OX0JUS9plQJIBpABuewJ0Nu1lQBr8lAF2yxJ0b0ElQTXboA5vgxJ0t9skQfk9dAdQGvJEBWhkQUN2qA9T+2JULmkkQpz33AhJfsJU53SlQJtBxAVM03JEGXOlQK1rjA1y0tJEhDKlQcVWeAJFe0JUVyGlQX5RvAh38uJEgUqkQlcygA1r1uJknWQkQQ0zaAlxGrJEDjnkQbu5PA5LmxJ0FojkQHTisAZGp2J0m+TkQTN/jAdOn5JEACnkQAavxAB0o4JECaskQ HKH_2021_1XD3_run_2_complex.71_chain_B_23_0000200002_0000001_0
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LuKEoBxNg9I0KpxjQuKEqBxNg9I0KpxjQuKEoBxNgBJ0KpxjQ HKH_2021_1XD3_run_2_complex.71_chain_B_23_0000200002_0000001_0
SCORE:  -1062.850  -1863.886    180.647   1305.897               -100.370                 32.841                 73.477    689.709       -722.315            -3.602                 -24.468   -689.712          -92.893       -137.334        -90.340        -75.891     -61.057        0.000                   11.419      5.660        20.311       135.937        295.947    -75.949      62.045   -125.543       0.000         12.540        174.081   6981.000 HKH_2021_1XD3_run_1_complex.425_chain_B_4_0000100001_0000001_0
RES_NUM A:1-229 B:230-304 z:1 HKH_2021_1XD3_run_1_complex.425_chain_B_4_0000100001_0000001_0
FOLD_TREE  EDGE 305 171 2  EDGE 171 1 -1  EDGE 171 229 -1  EDGE 1 230 1  EDGE 230 304 -1  HKH_2021_1XD3_run_1_complex.425_chain_B_4_0000100001_0000001_0
RT 0.162391 0.702997 -0.692404 0.824766 -0.481908 -0.295847 -0.541655 -0.523029 -0.658066 3.06083 16.9731 45.7282   HKH_2021_1XD3_run_1_complex.425_chain_B_4_0000100001_0000001_0
RT 0.302147 0.402173 -0.864271 -0.419007 0.870397 0.25854 0.856236 0.284018 0.431501 -1.21313 -5.01724 -5.408   HKH_2021_1XD3_run_1_complex.425_chain_B_4_0000100001_0000001_0
ANNOTATED_SEQUENCE: E[GLU:NtermProteinFull]GQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIH[HIS_D]AIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVH[HIS_D]VDGH[HIS_D]LYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA[ALA:CtermProteinFull]M[MET:NtermProteinFull]QIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLH[HIS_D]LVLRLRG[GLY:CtermProteinFull]X HKH_2021_1XD3_run_1_complex.425_chain_B_4_0000100001_0000001_0
CHAIN_ENDINGS  229 HKH_2021_1XD3_run_1_complex.425_chain_B_4_0000100001_0000001_0
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LiXVlBVCI1I09dkiQiXVnBVCI1I09dkiQiXVlBVCI5I09dkiQ HKH_2021_1XD3_run_1_complex.425_chain_B_4_0000100001_0000001_0
SCORE:  -1060.652  -1874.807    184.841   1306.361               -101.712                 32.938                 73.308    684.690       -725.916            -3.477                 -23.692   -688.539          -92.121       -136.135        -86.458        -80.364     -58.828        0.000                   16.580      4.319        21.942       136.918        291.831    -75.757      62.279   -125.543       0.000         17.418        179.272   2085.000 HKH_2021_1XD3_run_2_complex.419_chain_B_5_0000500005_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1XD3_run_2_complex.419_chain_B_5_0000500005_0000001_0
RES_NUM A:1-229 B:230-305 HKH_2021_1XD3_run_2_complex.419_chain_B_5_0000500005_0000001_0
FOLD_TREE  EDGE 305 171 2  EDGE 171 1 -1  EDGE 171 229 -1  EDGE 1 230 1  EDGE 230 304 -1  HKH_2021_1XD3_run_2_complex.419_chain_B_5_0000500005_0000001_0
RT 0.637026 -0.0920795 -0.765323 0.252681 -0.91304 0.320174 -0.728251 -0.397341 -0.558363 -8.49079 7.5966 41.2327   HKH_2021_1XD3_run_2_complex.419_chain_B_5_0000500005_0000001_0
RT 0.248097 0.436346 -0.864899 -0.440647 0.845933 0.300377 0.862715 0.306593 0.402148 0.0305863 -5.72756 -4.60977   HKH_2021_1XD3_run_2_complex.419_chain_B_5_0000500005_0000001_0
ANNOTATED_SEQUENCE: E[GLU:NtermProteinFull]GQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIH[HIS_D]AIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVH[HIS_D]VDGH[HIS_D]LYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA[ALA:CtermProteinFull]M[MET:NtermProteinFull]QIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLH[HIS_D]LVLRLRG[GLY:CtermProteinFull]X HKH_2021_1XD3_run_2_complex.419_chain_B_5_0000500005_0000001_0
CHAIN_ENDINGS  229 HKH_2021_1XD3_run_2_complex.419_chain_B_5_0000500005_0000001_0
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LCQKYBBoDVJkpoWgQNmxTBdsWRJkv1YgQZutOBB8AUJkD8QgQETgNBFWkYJ067WgQqToTBZenPJU0RwgQfAIPBV1QMJUvE4gQDVJOB5SIHJEPVxgQYGmLBZJUNJk0iHhQi2GKBp2IFJkQZ8gQ7VdIBhq0IJ0xcKhQ/VoYBJAAYJ0M+hgQDadUBx5zNJkvDPgQHKQXBRBYNJkRfzgQdX4TBBAHTJk7M6gQe3OQBZGCFJ0rjmgQzNGLBRyzQJkMQRhQ+KxIB5GFBJ0Lb5gQ HKH_2021_1XD3_run_2_complex.419_chain_B_5_0000500005_0000001_0
LRA9LBtgbRJ0gCCgQBMFHBxowTJExZzfQa+dCB5clRJEfKGgQOlSCBh81MJk3ALgQX3eGB1efSJUUSDfQn2bBBJubUJknPqeQD8OBBRfbaJ0l1neQwBvBBt6HSJE8m8dQFaENB1TuNJUM+4fQ9vMHB9jEYJ0p73fQHVyJB9nLUJU2uzeQ3NrGBx3MOJEzZ/eQhzp7AhYDTJUJK6eQTFg7ApVlbJEFEWeQF8/AB1OJcJkDyHfQ26vEBlp5bJkxyXeQhOk8AxIZTJEQIqdQf0XFBNjiTJUK3sdQKfzBBBiyNJ0xf+dQ HKH_2021_1XD3_run_2_complex.419_chain_B_5_0000500005_0000001_0
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Luu1iAdcnRJUHSEgQVjhTAZIKTJEgNufQL2V8/EnOTJEpfCgQmXCs/wYLPJERaKgQYe/RAJJkPJ0UKHfQCWkiAdbbPJ0XNqeQzMhgANzYLJ0JXHeQa1mkABO5UJ0oTYeQj6djAV/3NJ0PUKgQGU/VAFjNXJ0npjfQELWOARwfLJ04TRfQBlAFAZnDRJ0MB0eQf2WpAlJMOJkwf7eQPmbnANZJLJUUeydQYCTeA52gHJ0g5VeQFHCTApojMJU700dQavYrAJIwUJUiPDeQmvEbAJmKWJUcEHeQ/GUmAxztXJEVMxeQ HKH_2021_1XD3_run_2_complex.419_chain_B_5_0000500005_0000001_0
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LVx/p/W0qSJ0yYxfQ2YCEAfY3QJU8KRfQdv2ZArkBQJ0PblfQ2/cbAnhsOJEFoFgQzyv3/2voLJ0Pc9eQUVYn+mD7LJkOAqeQ01K29QgcGJkspZeQANXa+GCKQJUyPGeQ4tDP/ucBQJE9JBgQrpuFA7O7TJkXs4eQ6Iq3/G0kIJEvNWfQZB7GAjvZKJULVkeQNupv+E8+MJkNIDfQrt4j/EGqGJUaSNeQlSCj9EujDJESxzeQtgUE/quLFJE1MAeQyJKS/AdVQJk0h5dQMLda/WLIPJkhdsdQSpA++WdDUJ0FzSeQ HKH_2021_1XD3_run_2_complex.419_chain_B_5_0000500005_0000001_0
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L5nP4AfGaIJEFFAgQ4ks7AXm6CJkNMDgQPd+CBfp0CJk7TQgQfJiEB7K7GJE3SZgQ2b7FBjP5+IkMbPgQ+kF6Az4ILJ0wZLgQ8mB9A/DBBJEpbnfQnec1An9qAJUmXLgQ HKH_2021_1XD3_run_2_complex.419_chain_B_5_0000500005_0000001_0
LvJ/nBd/13I0w1yiQvJ/pBd/13I0w1yiQvJ/nBd/17I0w1yiQ HKH_2021_1XD3_run_2_complex.419_chain_B_5_0000500005_0000001_0
SCORE:  -1039.321  -1860.139    181.273   1302.693               -101.669                 33.712                 73.503    681.528       -721.211            -3.666                 -24.172   -682.293          -93.240       -135.173        -90.104        -83.192     -48.943        0.000                   12.258      3.732        21.570       140.601        301.401    -75.595      64.565   -125.543       0.000         12.515        176.268   3817.000 HKH_2021_1XD3_run_2_complex.328_chain_B_15_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1XD3_run_2_complex.328_chain_B_15_0000100001_0000001_0
RES_NUM A:1-229 B:230-305 HKH_2021_1XD3_run_2_complex.328_chain_B_15_0000100001_0000001_0
FOLD_TREE  EDGE 305 169 2  EDGE 169 1 -1  EDGE 169 229 -1  EDGE 1 230 1  EDGE 230 304 -1  HKH_2021_1XD3_run_2_complex.328_chain_B_15_0000100001_0000001_0
RT 0.876734 0.152035 -0.456314 -0.0425271 0.969515 0.241314 0.479091 -0.192162 0.856473 -23.3547 38.8223 3.54884   HKH_2021_1XD3_run_2_complex.328_chain_B_15_0000100001_0000001_0
RT 0.273126 0.95881 -0.078015 -0.537588 0.219383 0.814168 0.797747 -0.180431 0.575364 -4.15998 -0.207387 -3.59772   HKH_2021_1XD3_run_2_complex.328_chain_B_15_0000100001_0000001_0
ANNOTATED_SEQUENCE: E[GLU:NtermProteinFull]GQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIH[HIS_D]AIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVH[HIS_D]VDGH[HIS_D]LYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA[ALA:CtermProteinFull]M[MET:NtermProteinFull]QIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLH[HIS_D]LVLRLRG[GLY:CtermProteinFull]X HKH_2021_1XD3_run_2_complex.328_chain_B_15_0000100001_0000001_0
CHAIN_ENDINGS  229 HKH_2021_1XD3_run_2_complex.328_chain_B_15_0000100001_0000001_0
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LHefOBpv+IKUPOhhQGEZTBRRLKK0yDphQWZ7VBlE3LKk6mXhQQVRVBh0SLKUOmEhQgKPXBVy+HK0SRwhQsc8UB5KAGK0yGBiQ3EIZBdJ7DKETPGiQkjBTBZ1dHKU7WViQXHcOBVbLHKU5YZhQxqeSBt3fLK0IY2hQ9IaYBd20GKUfRihQ2uzaB9l6IKUE82hQg4mRBFx+EK05C6hQgMfXB1DfCKkPhRiQstSaBd94CKUWn3hQCincBZf4EKUOSNiQAiZRB1JCGK0ssgiQZ1WWBR7gIKkPxciQJT6PBpi4IK0eRRiQ HKH_2021_1XD3_run_2_complex.328_chain_B_15_0000100001_0000001_0
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LCdXhBNRuOKEN31gQKO+jBF50NKEJiugQEhzkBZVcPKE7AbgQDxKjBd55QK0pCSgQp5LnBVQmPKUpPWgQoFHgB9+jPKkGIrgQ8JclBRaEOK0iS7gQ+s4jBNRtLKkGjqgQ HKH_2021_1XD3_run_2_complex.328_chain_B_15_0000100001_0000001_0
LAmSiBBu+5Ikh8yjQAmSkBBu+5Ikh8yjQAmSiBBu+9Ikh8yjQ HKH_2021_1XD3_run_2_complex.328_chain_B_15_0000100001_0000001_0
SCORE:  -1045.679  -1909.621    192.200   1336.750               -102.466                 34.903                 73.955    696.964       -738.977            -3.641                 -23.878   -704.967          -91.915       -138.090        -86.284        -80.572     -59.165        0.000                   20.402      6.605        25.479       140.310        301.260    -75.051      61.958   -125.543       0.000         15.123        188.583   4217.000 HKH_2021_1XD3_run_1_complex.97_chain_B_13_0000200002_0000001_0
RES_NUM A:1-229 B:230-304 z:1 HKH_2021_1XD3_run_1_complex.97_chain_B_13_0000200002_0000001_0
FOLD_TREE  EDGE 305 169 2  EDGE 169 1 -1  EDGE 169 229 -1  EDGE 1 230 1  EDGE 230 304 -1  HKH_2021_1XD3_run_1_complex.97_chain_B_13_0000200002_0000001_0
RT 0.101831 -0.0370005 0.994113 -0.0659095 0.996861 0.0438541 -0.992616 -0.0699872 0.0990725 -39.6038 36.8137 16.6172   HKH_2021_1XD3_run_1_complex.97_chain_B_13_0000200002_0000001_0
RT 0.327388 0.931903 -0.156121 -0.552668 0.322874 0.768317 0.766405 -0.165254 0.620738 -3.55816 -0.594618 -3.38813   HKH_2021_1XD3_run_1_complex.97_chain_B_13_0000200002_0000001_0
ANNOTATED_SEQUENCE: E[GLU:NtermProteinFull]GQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIH[HIS_D]AIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVH[HIS_D]VDGH[HIS_D]LYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA[ALA:CtermProteinFull]M[MET:NtermProteinFull]QIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLH[HIS_D]LVLRLRG[GLY:CtermProteinFull]X HKH_2021_1XD3_run_1_complex.97_chain_B_13_0000200002_0000001_0
CHAIN_ENDINGS  229 HKH_2021_1XD3_run_1_complex.97_chain_B_13_0000200002_0000001_0
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SCORE:  -1063.982  -1891.606    191.717   1312.668               -101.633                 33.732                 75.700    688.811       -729.820            -3.297                 -21.505   -708.194          -86.419       -136.992        -88.214        -77.293     -63.155        0.000                   12.968      5.384        22.350       143.499        295.950    -74.931      64.943   -125.543       0.000         13.659        183.237   2389.000 HKH_2021_1XD3_run_2_complex.8_chain_B_5_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1XD3_run_2_complex.8_chain_B_5_0000100001_0000001_0
RES_NUM A:1-229 B:230-305 HKH_2021_1XD3_run_2_complex.8_chain_B_5_0000100001_0000001_0
FOLD_TREE  EDGE 305 169 2  EDGE 169 1 -1  EDGE 169 229 -1  EDGE 1 230 1  EDGE 230 304 -1  HKH_2021_1XD3_run_2_complex.8_chain_B_5_0000100001_0000001_0
RT 0.745925 0.228787 0.625502 0.468109 0.487979 -0.736716 -0.473783 0.842338 0.256898 -30.6663 38.982 32.1218   HKH_2021_1XD3_run_2_complex.8_chain_B_5_0000100001_0000001_0
RT 0.25293 0.967356 -0.0157799 -0.602051 0.170141 0.78012 0.757338 -0.187815 0.625431 -2.85815 -0.433744 -6.14296   HKH_2021_1XD3_run_2_complex.8_chain_B_5_0000100001_0000001_0
ANNOTATED_SEQUENCE: E[GLU:NtermProteinFull]GQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIH[HIS_D]AIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVH[HIS_D]VDGHLYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA[ALA:CtermProteinFull]M[MET:NtermProteinFull]QIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRG[GLY:CtermProteinFull]X HKH_2021_1XD3_run_2_complex.8_chain_B_5_0000100001_0000001_0
CHAIN_ENDINGS  229 HKH_2021_1XD3_run_2_complex.8_chain_B_5_0000100001_0000001_0
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SCORE:  -1045.936  -1903.010    191.856   1320.626               -102.878                 34.806                 76.591    688.394       -734.383            -3.763                 -24.194   -690.161          -94.888       -135.225        -90.540        -77.051     -60.927        0.000                   16.413      6.106        22.094       145.647        303.606    -76.340      65.601   -125.543       0.000         12.278        188.947  12597.000 HKH_2021_1XD3_run_1_complex.1416_chain_B_7_0000200002_0000001_0
RES_NUM A:1-229 B:230-304 z:1 HKH_2021_1XD3_run_1_complex.1416_chain_B_7_0000200002_0000001_0
FOLD_TREE  EDGE 305 169 2  EDGE 169 1 -1  EDGE 169 229 -1  EDGE 1 230 1  EDGE 230 304 -1  HKH_2021_1XD3_run_1_complex.1416_chain_B_7_0000200002_0000001_0
RT 0.927428 -0.30862 0.211261 0.373513 0.79316 -0.481025 -0.0191102 0.525025 0.850872 -34.1891 40.0254 15.5784   HKH_2021_1XD3_run_1_complex.1416_chain_B_7_0000200002_0000001_0
RT 0.25888 0.965904 0.00323592 -0.626714 0.165419 0.761489 0.734991 -0.199162 0.648169 -3.32677 -1.03498 -4.21719   HKH_2021_1XD3_run_1_complex.1416_chain_B_7_0000200002_0000001_0
ANNOTATED_SEQUENCE: E[GLU:NtermProteinFull]GQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIH[HIS_D]AIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAH[HIS_D]EGQTEAPSIDEKVDLHFIALVH[HIS_D]VDGH[HIS_D]LYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA[ALA:CtermProteinFull]M[MET:NtermProteinFull]QIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLH[HIS_D]LVLRLRG[GLY:CtermProteinFull]X HKH_2021_1XD3_run_1_complex.1416_chain_B_7_0000200002_0000001_0
CHAIN_ENDINGS  229 HKH_2021_1XD3_run_1_complex.1416_chain_B_7_0000200002_0000001_0
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SCORE:  -1042.090  -1884.344    185.714   1312.918               -100.855                 33.241                 74.163    692.203       -727.340            -3.652                 -23.587   -682.059          -92.426       -137.882        -85.934        -80.837     -56.137        0.000                   17.396      4.800        19.902       137.940        300.617    -74.915      64.230   -125.543       0.000         10.613        179.684   9383.000 HKH_2021_1XD3_run_1_complex.759_chain_B_2_0000200002_0000001_0
RES_NUM A:1-229 B:230-304 z:1 HKH_2021_1XD3_run_1_complex.759_chain_B_2_0000200002_0000001_0
FOLD_TREE  EDGE 305 169 2  EDGE 169 1 -1  EDGE 169 229 -1  EDGE 1 230 1  EDGE 230 304 -1  HKH_2021_1XD3_run_1_complex.759_chain_B_2_0000200002_0000001_0
RT 0.499139 0.553182 -0.66697 0.779885 -0.622268 0.0675352 -0.377675 -0.55387 -0.742017 -16.7417 17.9082 27.784   HKH_2021_1XD3_run_1_complex.759_chain_B_2_0000200002_0000001_0
RT 0.249242 0.957129 -0.147592 -0.554616 0.266006 0.788443 0.793902 -0.114656 0.597138 -3.84601 -0.713589 -3.60743   HKH_2021_1XD3_run_1_complex.759_chain_B_2_0000200002_0000001_0
ANNOTATED_SEQUENCE: E[GLU:NtermProteinFull]GQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIH[HIS_D]AIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVH[HIS_D]VDGH[HIS_D]LYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA[ALA:CtermProteinFull]M[MET:NtermProteinFull]QIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLH[HIS_D]LVLRLRG[GLY:CtermProteinFull]X HKH_2021_1XD3_run_1_complex.759_chain_B_2_0000200002_0000001_0
CHAIN_ENDINGS  229 HKH_2021_1XD3_run_1_complex.759_chain_B_2_0000200002_0000001_0
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SCORE:  -1051.646  -1855.914    185.454   1289.330               -101.533                 32.671                 74.661    680.135       -717.494            -3.689                 -23.703   -690.402          -92.342       -135.431        -87.099        -80.555     -53.802        0.000                   11.993      3.582        22.802       139.731        300.007    -73.433      64.872   -125.543       0.000         11.237        172.820   1162.000 HKH_2021_1XD3_run_2_complex.728_chain_B_3_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1XD3_run_2_complex.728_chain_B_3_0000100001_0000001_0
RES_NUM A:1-229 B:230-305 HKH_2021_1XD3_run_2_complex.728_chain_B_3_0000100001_0000001_0
FOLD_TREE  EDGE 305 102 2  EDGE 102 1 -1  EDGE 102 229 -1  EDGE 1 230 1  EDGE 230 304 -1  HKH_2021_1XD3_run_2_complex.728_chain_B_3_0000100001_0000001_0
RT 0.585293 -0.244827 -0.772976 -0.102296 -0.968003 0.229141 -0.804343 -0.0550424 -0.59161 -5.35946 19.3881 44.7685   HKH_2021_1XD3_run_2_complex.728_chain_B_3_0000100001_0000001_0
RT 0.560324 0.0420991 0.827203 0.0150966 -0.999061 0.0406195 0.828136 -0.0102721 -0.560433 -3.58758 -5.84259 -1.75291   HKH_2021_1XD3_run_2_complex.728_chain_B_3_0000100001_0000001_0
ANNOTATED_SEQUENCE: E[GLU:NtermProteinFull]GQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIH[HIS_D]AIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVH[HIS_D]VDGH[HIS_D]LYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA[ALA:CtermProteinFull]M[MET:NtermProteinFull]QIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRG[GLY:CtermProteinFull]X HKH_2021_1XD3_run_2_complex.728_chain_B_3_0000100001_0000001_0
CHAIN_ENDINGS  229 HKH_2021_1XD3_run_2_complex.728_chain_B_3_0000100001_0000001_0
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SCORE:  -1034.603  -1870.629    182.137   1303.902               -104.602                 33.805                 78.462    682.198       -722.922            -3.715                 -24.834   -672.734          -95.442       -137.380        -84.310        -81.229     -54.097        0.000                   12.344      4.825        22.786       140.644        305.510    -77.285      63.183   -125.543       0.000         12.895        177.428  16201.000 HKH_2021_1XD3_run_1_complex.865_chain_B_12_0000100001_0000001_0
RES_NUM A:1-229 B:230-304 z:1 HKH_2021_1XD3_run_1_complex.865_chain_B_12_0000100001_0000001_0
FOLD_TREE  EDGE 305 171 2  EDGE 171 1 -1  EDGE 171 229 -1  EDGE 1 230 1  EDGE 230 304 -1  HKH_2021_1XD3_run_1_complex.865_chain_B_12_0000100001_0000001_0
RT -0.0192642 0.419114 -0.907729 0.321603 -0.857049 -0.40254 -0.946679 -0.299683 -0.118278 -2.86131 18.5428 35.7729   HKH_2021_1XD3_run_1_complex.865_chain_B_12_0000100001_0000001_0
RT 0.288243 0.383368 -0.877465 -0.41872 0.874566 0.244554 0.861156 0.296922 0.412612 0.623056 -5.99649 -4.97261   HKH_2021_1XD3_run_1_complex.865_chain_B_12_0000100001_0000001_0
ANNOTATED_SEQUENCE: E[GLU:NtermProteinFull]GQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIH[HIS_D]AIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVH[HIS_D]VDGH[HIS_D]LYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA[ALA:CtermProteinFull]M[MET:NtermProteinFull]QIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRG[GLY:CtermProteinFull]X HKH_2021_1XD3_run_1_complex.865_chain_B_12_0000100001_0000001_0
CHAIN_ENDINGS  229 HKH_2021_1XD3_run_1_complex.865_chain_B_12_0000100001_0000001_0
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LSckqAljM7JkYqcfQoGclA5X19Jkoj4eQ3q1dA94XBKUkvDfQiRCOAtSTBK04mbfQ1N/cABS45JUPfgeQi1AkABZ20JEonQeQLgiXAZSfxJEug5dQcrXtAJuW2JUP0zdQRQLmAtjG5JED+xfQbVnrAdvQ/JkAMjeQYiiPA10u4JEEl0eQwQ+WAZQ67JUqdEeQmR+mAtegyJ0RjreQKP5eAFM0tJEmUudQwSiKA1ngwJkmZPeQJQMRANetzJk/PedQagIxAFyxyJkr/ndQlNVqAJMu4Jk+lZdQfZTzAJxo4J0Q9EeQ HKH_2021_1XD3_run_1_complex.865_chain_B_12_0000100001_0000001_0
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LjkfiALGSKKUjcoeQ6+ZsArZXJKklv7eQ4u2yArdwLKk5SLfQr3ruADR/NKUXvMfQX2j8Aj/hLKURpQfQNkYeAn1/LKUZRzeQXbBxAHpOIKEYZkeQXUoqAHPCIKkdaWfQ HKH_2021_1XD3_run_1_complex.865_chain_B_12_0000100001_0000001_0
Lru9oBJPT5IEv9siQru9qBJPT5IEv9siQru9oBJPT9IEv9siQ HKH_2021_1XD3_run_1_complex.865_chain_B_12_0000100001_0000001_0
SCORE:  -1047.757  -1892.110    184.995   1313.361               -101.900                 33.385                 75.682    689.709       -731.301            -3.767                 -24.428   -683.569          -95.493       -135.093        -85.631        -74.219     -52.036        0.000                   15.691      5.195        21.095       140.196        303.190    -75.147      63.272   -125.543       0.000          8.997        177.711  13675.000 HKH_2021_1XD3_run_1_complex.475_chain_B_1_0000100001_0000001_0
RES_NUM A:1-229 B:230-304 z:1 HKH_2021_1XD3_run_1_complex.475_chain_B_1_0000100001_0000001_0
FOLD_TREE  EDGE 305 169 2  EDGE 169 1 -1  EDGE 169 229 -1  EDGE 1 230 1  EDGE 230 304 -1  HKH_2021_1XD3_run_1_complex.475_chain_B_1_0000100001_0000001_0
RT 0.536206 0.82369 0.184439 -0.553825 0.508213 -0.659543 -0.636993 0.251504 0.728687 -25.6942 34.6719 13.8816   HKH_2021_1XD3_run_1_complex.475_chain_B_1_0000100001_0000001_0
RT 0.279843 0.95053 -0.134834 -0.584963 0.280185 0.761128 0.761253 -0.134124 0.634432 -2.09131 -1.55134 -3.38764   HKH_2021_1XD3_run_1_complex.475_chain_B_1_0000100001_0000001_0
ANNOTATED_SEQUENCE: E[GLU:NtermProteinFull]GQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIH[HIS_D]AIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVH[HIS_D]VDGH[HIS_D]LYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA[ALA:CtermProteinFull]M[MET:NtermProteinFull]QIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRG[GLY:CtermProteinFull]X HKH_2021_1XD3_run_1_complex.475_chain_B_1_0000100001_0000001_0
CHAIN_ENDINGS  229 HKH_2021_1XD3_run_1_complex.475_chain_B_1_0000100001_0000001_0
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LC+XkBB/OgK05TElQiCSmB54aiKUbCGlQ6qRnBVstiKkJ5clQl3tlBBDeiK0ICslQymAlBFLClKEEu+kQT22mBJGenKknw+kQOYhlBJE3pKESx1kQboRnB1OMsK0ML2kQL2lmB1kruKkKuvkQa/KkBR/KvKUxRokQctXoB5wowKka6wkQX5ZiBFXogKEfzFlQ4I/nB9++hKEsu7kQ6gPkBxuykKUdiukQQVUjBl+flKEHDJlQ0icnBtO9nK0VHPlQVsooBpTDnK0+P1kQbA9kBt6dpKE+NlkQZsvjBthTqK0xO/kQpMKpBp86rK0By7kQfpziBpPstKEwUnkQESrjB9XCxKUWfjkQCeOqBN+QwKUxn2kQaY4nBRLgyKEBJskQ HKH_2021_1XD3_run_1_complex.475_chain_B_1_0000100001_0000001_0
Lqa2pB9WSjK00LflQYuErB9JwjKkA7zlQS5etBlRllK0xTxlQflWuBRxEmKEbSflQPmRuBJN5mK0wsAmQbtArBlaajKko/RlQH1npBlQqkKEhu+lQqAsrBFo2hKUa66lQ HKH_2021_1XD3_run_1_complex.475_chain_B_1_0000100001_0000001_0
LukXmB97g+IUJS3jQukXoB97g+IUJS3jQukXmB97gCJUJS3jQ HKH_2021_1XD3_run_1_complex.475_chain_B_1_0000100001_0000001_0
SCORE:  -1076.671  -1884.552    185.138   1302.637               -101.033                 33.161                 75.007    683.982       -726.612            -3.428                 -22.745   -688.431          -95.295       -136.383        -88.547        -80.220     -60.627        0.000                   13.050      3.572        20.698       140.399        297.891    -74.525      63.462   -125.543       0.000         13.025        179.246   5448.000 HKH_2021_1XD3_run_2_complex.237_chain_B_9_0000100001_0000001_0
RES_NUM A:1-229 B:230-304 z:1 HKH_2021_1XD3_run_2_complex.237_chain_B_9_0000100001_0000001_0
FOLD_TREE  EDGE 305 169 2  EDGE 169 1 -1  EDGE 169 229 -1  EDGE 1 230 1  EDGE 230 304 -1  HKH_2021_1XD3_run_2_complex.237_chain_B_9_0000100001_0000001_0
RT 0.934009 0.0575023 0.352592 -0.250484 -0.598316 0.761102 0.254727 -0.799194 -0.544429 -27.4068 10.4811 27.9174   HKH_2021_1XD3_run_2_complex.237_chain_B_9_0000100001_0000001_0
RT 0.247663 0.968839 -0.00377865 -0.577696 0.150804 0.8022 0.777772 -0.196492 0.597043 -3.00438 -0.502108 -5.05036   HKH_2021_1XD3_run_2_complex.237_chain_B_9_0000100001_0000001_0
ANNOTATED_SEQUENCE: E[GLU:NtermProteinFull]GQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIH[HIS_D]AIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAH[HIS_D]EGQTEAPSIDEKVDLHFIALVH[HIS_D]VDGH[HIS_D]LYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA[ALA:CtermProteinFull]M[MET:NtermProteinFull]QIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRG[GLY:CtermProteinFull]X HKH_2021_1XD3_run_2_complex.237_chain_B_9_0000100001_0000001_0
CHAIN_ENDINGS  229 HKH_2021_1XD3_run_2_complex.237_chain_B_9_0000100001_0000001_0
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