SEQUENCE: MLDAERLKHLIVTPSGAGEQNMIGMTPTVIAVHYLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLCGAVKWLILEKQKPDGVFQEDAPVIHQEMIGGLRNNNEKDMALTAFVLISLQEAKDICEEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPSDHQELNLDVSLQAISCGSPPPILNGRISYYSTPIAVGTVIRYSCSGTFRLIGEKSLLCITKDKVDGTWDKPAPKCEYFNKYSSCPEPIVPGGYKIRGSTPYRHGDSVTFACKTNFSMNGNKSVWCQANNMWGPTRLPTCVSX
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:  -1248.201  -2778.098    308.480   1850.662               -150.428                 47.961                 97.853    972.497      -1063.669            -4.144                 -28.489   -901.535         -107.177       -230.096        -70.250       -102.567     -64.965       -6.280                   31.908      5.657        35.780       199.729        356.275    -94.324      85.791    -33.370       0.000         94.586        300.011   6771.000 HKH_2021_1GHQ_run_2_complex.348_chain_B_7_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1GHQ_run_2_complex.348_chain_B_7_0000100001_0000001_0
RES_NUM A:1-307 B:308-437 HKH_2021_1GHQ_run_2_complex.348_chain_B_7_0000100001_0000001_0
FOLD_TREE  EDGE 437 276 2  EDGE 276 1 -1  EDGE 276 307 -1  EDGE 1 308 1  EDGE 308 436 -1  HKH_2021_1GHQ_run_2_complex.348_chain_B_7_0000100001_0000001_0
RT 0.732746 -0.0385957 -0.679407 -0.673291 0.103845 -0.732049 0.098807 0.993844 0.0501059 -37.9218 27.9606 24.2058   HKH_2021_1GHQ_run_2_complex.348_chain_B_7_0000100001_0000001_0
RT 0.25596 -0.95221 0.166678 -0.717323 -0.302672 -0.627564 0.648021 0.0410697 -0.760514 -4.47488 1.39523 -3.84615   HKH_2021_1GHQ_run_2_complex.348_chain_B_7_0000100001_0000001_0
ANNOTATED_SEQUENCE: M[MET:NtermProteinFull]LDAERLKHLIVTPSGAGEQNMIGMTPTVIAVH[HIS_D]YLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLC[CYS:disulfide]GAVKWLILEKQKPDGVFQEDAPVIH[HIS_D]QEMIGGLRNNNEKDMALTAFVLISLQEAKDIC[CYS:disulfide]EEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPSDH[HIS_D]QELNLDVSLQ[GLN:CtermProteinFull]A[ALA:NtermProteinFull]ISC[CYS:disulfide]GSPPPILNGRISYYSTPIAVGTVIRYSC[CYS:disulfide]SGTFRLIGEKSLLC[CYS:disulfide]ITKDKVDGTWDKPAPKC[CYS:disulfide]EYFNKYSSC[CYS:disulfide]PEPIVPGGYKIRGSTPYRHGDSVTFAC[CYS:disulfide]KTNFSMNGNKSVWC[CYS:disulfide]QANNMWGPTRLPTC[CYS:disulfide]VS[SER:CtermProteinFull]X HKH_2021_1GHQ_run_2_complex.348_chain_B_7_0000100001_0000001_0
NONCANONICAL_CONNECTION: 165  SG  108  SG
NONCANONICAL_CONNECTION: 353  SG  311  SG
NONCANONICAL_CONNECTION: 370  SG  339  SG
NONCANONICAL_CONNECTION: 420  SG  379  SG
NONCANONICAL_CONNECTION: 434  SG  406  SG
CHAIN_ENDINGS  307 HKH_2021_1GHQ_run_2_complex.348_chain_B_7_0000100001_0000001_0
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LrDutC90BUKElSJjQrDOuC90BUKElSJjQrDutC90BWKElSJjQ HKH_2021_1GHQ_run_2_complex.348_chain_B_7_0000100001_0000001_0
SCORE:  -1337.818  -2749.994    299.626   1813.374               -154.092                 47.943                101.805    954.788      -1045.524            -4.232                 -28.724   -892.186         -114.310       -235.184        -73.772        -99.255     -64.370       -6.301                   31.107      3.759        36.601       192.534        346.055    -94.840      84.810    -33.370       0.000         69.818        276.116  11179.000 HKH_2021_1GHQ_run_2_complex.351_chain_B_10_0000100001_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_2_complex.351_chain_B_10_0000100001_0000001_0
FOLD_TREE  EDGE 437 277 2  EDGE 277 1 -1  EDGE 277 307 -1  EDGE 1 308 1  EDGE 308 436 -1  HKH_2021_1GHQ_run_2_complex.351_chain_B_10_0000100001_0000001_0
RT -0.28476 -0.856723 -0.430043 0.43669 0.283427 -0.853798 0.853354 -0.430923 0.293413 -7.53842 -10.0979 4.12118   HKH_2021_1GHQ_run_2_complex.351_chain_B_10_0000100001_0000001_0
RT -0.390572 -0.242594 0.888032 0.201791 -0.963753 -0.174528 0.898184 0.111031 0.425368 -5.19448 1.4762 -1.02506   HKH_2021_1GHQ_run_2_complex.351_chain_B_10_0000100001_0000001_0
ANNOTATED_SEQUENCE: M[MET:NtermProteinFull]LDAERLKH[HIS_D]LIVTPSGAGEQNMIGMTPTVIAVH[HIS_D]YLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLC[CYS:disulfide]GAVKWLILEKQKPDGVFQEDAPVIH[HIS_D]QEMIGGLRNNNEKDMALTAFVLISLQEAKDIC[CYS:disulfide]EEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPSDH[HIS_D]QELNLDVSLQ[GLN:CtermProteinFull]A[ALA:NtermProteinFull]ISC[CYS:disulfide]GSPPPILNGRISYYSTPIAVGTVIRYSC[CYS:disulfide]SGTFRLIGEKSLLC[CYS:disulfide]ITKDKVDGTWDKPAPKC[CYS:disulfide]EYFNKYSSC[CYS:disulfide]PEPIVPGGYKIRGSTPYRHGDSVTFAC[CYS:disulfide]KTNFSMNGNKSVWC[CYS:disulfide]QANNMWGPTRLPTC[CYS:disulfide]VS[SER:CtermProteinFull]X HKH_2021_1GHQ_run_2_complex.351_chain_B_10_0000100001_0000001_0
NONCANONICAL_CONNECTION: 165  SG  108  SG
NONCANONICAL_CONNECTION: 353  SG  311  SG
NONCANONICAL_CONNECTION: 370  SG  339  SG
NONCANONICAL_CONNECTION: 420  SG  379  SG
NONCANONICAL_CONNECTION: 434  SG  406  SG
CHAIN_ENDINGS  307 HKH_2021_1GHQ_run_2_complex.351_chain_B_10_0000100001_0000001_0
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SCORE:  -1315.690  -2731.286    299.686   1804.263               -150.967                 46.482                 99.614    954.746      -1040.005            -4.319                 -29.040   -890.337         -114.587       -228.708        -72.343       -101.642     -64.706       -7.051                   31.857      2.193        35.933       188.699        355.488    -97.576      86.479    -33.370       0.000         74.025        270.782  14259.000 HKH_2021_1GHQ_run_2_complex.33_chain_B_22_0000100001_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_2_complex.33_chain_B_22_0000100001_0000001_0
FOLD_TREE  EDGE 437 276 2  EDGE 276 1 -1  EDGE 276 307 -1  EDGE 1 308 1  EDGE 308 436 -1  HKH_2021_1GHQ_run_2_complex.33_chain_B_22_0000100001_0000001_0
RT -0.356889 -0.926884 -0.116261 -0.425331 0.0504252 0.903632 -0.8317 0.371946 -0.412228 -1.09532 -21.1059 34.8964   HKH_2021_1GHQ_run_2_complex.33_chain_B_22_0000100001_0000001_0
RT 0.484051 -0.859764 0.162792 -0.521515 -0.432841 -0.735303 0.70265 0.271026 -0.657897 2.39712 0.212894 -1.32082   HKH_2021_1GHQ_run_2_complex.33_chain_B_22_0000100001_0000001_0
ANNOTATED_SEQUENCE: M[MET:NtermProteinFull]LDAERLKHLIVTPSGAGEQNMIGMTPTVIAVH[HIS_D]YLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLC[CYS:disulfide]GAVKWLILEKQKPDGVFQEDAPVIH[HIS_D]QEMIGGLRNNNEKDMALTAFVLISLQEAKDIC[CYS:disulfide]EEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPSDHQELNLDVSLQ[GLN:CtermProteinFull]A[ALA:NtermProteinFull]ISC[CYS:disulfide]GSPPPILNGRISYYSTPIAVGTVIRYSC[CYS:disulfide]SGTFRLIGEKSLLC[CYS:disulfide]ITKDKVDGTWDKPAPKC[CYS:disulfide]EYFNKYSSC[CYS:disulfide]PEPIVPGGYKIRGSTPYRHGDSVTFAC[CYS:disulfide]KTNFSMNGNKSVWC[CYS:disulfide]QANNMWGPTRLPTC[CYS:disulfide]VS[SER:CtermProteinFull]X HKH_2021_1GHQ_run_2_complex.33_chain_B_22_0000100001_0000001_0
NONCANONICAL_CONNECTION: 165  SG  108  SG
NONCANONICAL_CONNECTION: 353  SG  311  SG
NONCANONICAL_CONNECTION: 370  SG  339  SG
NONCANONICAL_CONNECTION: 420  SG  379  SG
NONCANONICAL_CONNECTION: 434  SG  406  SG
CHAIN_ENDINGS  307 HKH_2021_1GHQ_run_2_complex.33_chain_B_22_0000100001_0000001_0
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SCORE:  -1339.852  -2713.025    288.477   1804.725               -153.802                 46.474                100.803    947.999      -1036.930            -4.316                 -30.486   -886.877         -112.206       -236.072        -71.285       -101.412     -64.761       -6.705                   23.081      4.154        32.952       191.314        349.823    -96.613      86.422    -33.370       0.000         70.267        261.519  34651.000 HKH_2021_1GHQ_run_1_complex.872_chain_B_2_0000100001_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_1_complex.872_chain_B_2_0000100001_0000001_0
FOLD_TREE  EDGE 437 276 2  EDGE 276 1 -1  EDGE 276 307 -1  EDGE 1 308 1  EDGE 308 436 -1  HKH_2021_1GHQ_run_1_complex.872_chain_B_2_0000100001_0000001_0
RT -0.0105833 -0.00693249 0.99992 -0.741174 0.671305 -0.00319049 -0.671229 -0.741149 -0.0122428 -39.097 1.04656 38.4574   HKH_2021_1GHQ_run_1_complex.872_chain_B_2_0000100001_0000001_0
RT 0.252826 -0.966378 0.046823 -0.643828 -0.20417 -0.737428 0.722194 0.156295 -0.673801 -3.20796 1.78875 -0.925167   HKH_2021_1GHQ_run_1_complex.872_chain_B_2_0000100001_0000001_0
ANNOTATED_SEQUENCE: M[MET:NtermProteinFull]LDAERLKHLIVTPSGAGEQNMIGMTPTVIAVH[HIS_D]YLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLC[CYS:disulfide]GAVKWLILEKQKPDGVFQEDAPVIH[HIS_D]QEMIGGLRNNNEKDMALTAFVLISLQEAKDIC[CYS:disulfide]EEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPSDHQELNLDVSLQ[GLN:CtermProteinFull]A[ALA:NtermProteinFull]ISC[CYS:disulfide]GSPPPILNGRISYYSTPIAVGTVIRYSC[CYS:disulfide]SGTFRLIGEKSLLC[CYS:disulfide]ITKDKVDGTWDKPAPKC[CYS:disulfide]EYFNKYSSC[CYS:disulfide]PEPIVPGGYKIRGSTPYRHGDSVTFAC[CYS:disulfide]KTNFSMNGNKSVWC[CYS:disulfide]QANNMWGPTRLPTC[CYS:disulfide]VS[SER:CtermProteinFull]X HKH_2021_1GHQ_run_1_complex.872_chain_B_2_0000100001_0000001_0
NONCANONICAL_CONNECTION: 165  SG  108  SG
NONCANONICAL_CONNECTION: 353  SG  311  SG
NONCANONICAL_CONNECTION: 370  SG  339  SG
NONCANONICAL_CONNECTION: 420  SG  379  SG
NONCANONICAL_CONNECTION: 434  SG  406  SG
CHAIN_ENDINGS  307 HKH_2021_1GHQ_run_1_complex.872_chain_B_2_0000100001_0000001_0
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LZJruClRATKULVAkQZJLvClRATKULVAkQZJruClRAVKULVAkQ HKH_2021_1GHQ_run_1_complex.872_chain_B_2_0000100001_0000001_0
SCORE:  -1343.932  -2720.863    290.646   1806.076               -150.591                 45.605                 97.082    960.088      -1037.827            -4.188                 -28.569   -899.915         -106.462       -232.887        -72.994       -103.678     -66.633       -6.842                   19.684      4.060        32.009       195.780        348.418    -97.283      85.295    -33.370       0.000         71.214        262.213   5525.000 HKH_2021_1GHQ_run_2_complex.508_chain_B_6_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1GHQ_run_2_complex.508_chain_B_6_0000100001_0000001_0
RES_NUM A:1-307 B:308-437 HKH_2021_1GHQ_run_2_complex.508_chain_B_6_0000100001_0000001_0
FOLD_TREE  EDGE 437 276 2  EDGE 276 1 -1  EDGE 276 307 -1  EDGE 1 308 1  EDGE 308 436 -1  HKH_2021_1GHQ_run_2_complex.508_chain_B_6_0000100001_0000001_0
RT -0.181275 0.574782 -0.797976 -0.343753 0.7232 0.599012 0.921397 0.382893 0.0664848 -3.74492 -22.1657 13.8535   HKH_2021_1GHQ_run_2_complex.508_chain_B_6_0000100001_0000001_0
RT 0.192593 -0.981165 -0.0149364 -0.60911 -0.107601 -0.785752 0.769346 0.160429 -0.618361 -6.38952 -2.89833 -2.9988   HKH_2021_1GHQ_run_2_complex.508_chain_B_6_0000100001_0000001_0
ANNOTATED_SEQUENCE: M[MET:NtermProteinFull]LDAERLKHLIVTPSGAGEQNMIGMTPTVIAVH[HIS_D]YLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLC[CYS:disulfide]GAVKWLILEKQKPDGVFQEDAPVIH[HIS_D]QEMIGGLRNNNEKDMALTAFVLISLQEAKDIC[CYS:disulfide]EEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPSDHQELNLDVSLQ[GLN:CtermProteinFull]A[ALA:NtermProteinFull]ISC[CYS:disulfide]GSPPPILNGRISYYSTPIAVGTVIRYSC[CYS:disulfide]SGTFRLIGEKSLLC[CYS:disulfide]ITKDKVDGTWDKPAPKC[CYS:disulfide]EYFNKYSSC[CYS:disulfide]PEPIVPGGYKIRGSTPYRHGDSVTFAC[CYS:disulfide]KTNFSMNGNKSVWC[CYS:disulfide]QANNMWGPTRLPTC[CYS:disulfide]VS[SER:CtermProteinFull]X HKH_2021_1GHQ_run_2_complex.508_chain_B_6_0000100001_0000001_0
NONCANONICAL_CONNECTION: 165  SG  108  SG
NONCANONICAL_CONNECTION: 353  SG  311  SG
NONCANONICAL_CONNECTION: 370  SG  339  SG
NONCANONICAL_CONNECTION: 420  SG  379  SG
NONCANONICAL_CONNECTION: 434  SG  406  SG
CHAIN_ENDINGS  307 HKH_2021_1GHQ_run_2_complex.508_chain_B_6_0000100001_0000001_0
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SCORE:  -1313.834  -2757.441    296.762   1832.902               -152.288                 48.244                100.090    966.633      -1050.599            -4.401                 -29.748   -892.508         -117.355       -232.565        -74.098        -98.475     -65.616       -6.952                   34.326      4.398        34.972       196.521        352.963    -92.402      85.621    -33.370       0.000         71.656        268.897   2960.000 HKH_2021_1GHQ_run_1_complex.432_chain_B_6_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1GHQ_run_1_complex.432_chain_B_6_0000100001_0000001_0
RES_NUM A:1-307 B:308-437 HKH_2021_1GHQ_run_1_complex.432_chain_B_6_0000100001_0000001_0
FOLD_TREE  EDGE 437 278 2  EDGE 278 1 -1  EDGE 278 307 -1  EDGE 1 308 1  EDGE 308 436 -1  HKH_2021_1GHQ_run_1_complex.432_chain_B_6_0000100001_0000001_0
RT -0.161528 -0.89391 -0.418131 -0.701466 -0.194025 0.685784 -0.694157 0.404079 -0.595707 4.05418 -11.122 36.7057   HKH_2021_1GHQ_run_1_complex.432_chain_B_6_0000100001_0000001_0
RT -0.999962 -0.0013418 -0.00861308 -0.00803444 -0.241406 0.970391 -0.00338133 0.970423 0.241386 -2.29062 1.00581 -0.36919   HKH_2021_1GHQ_run_1_complex.432_chain_B_6_0000100001_0000001_0
ANNOTATED_SEQUENCE: M[MET:NtermProteinFull]LDAERLKH[HIS_D]LIVTPSGAGEQNMIGMTPTVIAVH[HIS_D]YLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLC[CYS:disulfide]GAVKWLILEKQKPDGVFQEDAPVIH[HIS_D]QEMIGGLRNNNEKDMALTAFVLISLQEAKDIC[CYS:disulfide]EEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPSDHQELNLDVSLQ[GLN:CtermProteinFull]A[ALA:NtermProteinFull]ISC[CYS:disulfide]GSPPPILNGRISYYSTPIAVGTVIRYSC[CYS:disulfide]SGTFRLIGEKSLLC[CYS:disulfide]ITKDKVDGTWDKPAPKC[CYS:disulfide]EYFNKYSSC[CYS:disulfide]PEPIVPGGYKIRGSTPYRHGDSVTFAC[CYS:disulfide]KTNFSMNGNKSVWC[CYS:disulfide]QANNMWGPTRLPTC[CYS:disulfide]VS[SER:CtermProteinFull]X HKH_2021_1GHQ_run_1_complex.432_chain_B_6_0000100001_0000001_0
NONCANONICAL_CONNECTION: 165  SG  108  SG
NONCANONICAL_CONNECTION: 353  SG  311  SG
NONCANONICAL_CONNECTION: 370  SG  339  SG
NONCANONICAL_CONNECTION: 420  SG  379  SG
NONCANONICAL_CONNECTION: 434  SG  406  SG
CHAIN_ENDINGS  307 HKH_2021_1GHQ_run_1_complex.432_chain_B_6_0000100001_0000001_0
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LzjqxC9wtYKkijwjQzjKyC9wtYKkijwjQzjqxC9wtaKkijwjQ HKH_2021_1GHQ_run_1_complex.432_chain_B_6_0000100001_0000001_0
SCORE:  -1327.712  -2763.379    296.600   1862.365               -151.137                 45.776                 96.904    975.674      -1060.486            -4.459                 -31.321   -909.584         -107.575       -232.253        -68.796       -106.863     -63.940       -6.841                   28.930      3.736        33.379       194.697        348.535    -95.402      86.500    -33.370       0.000         69.162        265.436  11669.000 HKH_2021_1GHQ_run_2_complex.295_chain_B_2_0000100001_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_2_complex.295_chain_B_2_0000100001_0000001_0
FOLD_TREE  EDGE 437 277 2  EDGE 277 1 -1  EDGE 277 307 -1  EDGE 1 308 1  EDGE 308 436 -1  HKH_2021_1GHQ_run_2_complex.295_chain_B_2_0000100001_0000001_0
RT -0.35347 0.693941 0.6273 -0.220885 0.58971 -0.776821 -0.908993 -0.413144 -0.0551638 -8.89341 14.8351 47.2112   HKH_2021_1GHQ_run_2_complex.295_chain_B_2_0000100001_0000001_0
RT -0.3662 -0.27468 0.889072 0.22797 -0.952807 -0.200473 0.902179 0.129268 0.411537 -0.557927 -0.080278 0.0916043   HKH_2021_1GHQ_run_2_complex.295_chain_B_2_0000100001_0000001_0
ANNOTATED_SEQUENCE: M[MET:NtermProteinFull]LDAERLKHLIVTPSGAGEQNMIGMTPTVIAVH[HIS_D]YLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLC[CYS:disulfide]GAVKWLILEKQKPDGVFQEDAPVIH[HIS_D]QEMIGGLRNNNEKDMALTAFVLISLQEAKDIC[CYS:disulfide]EEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPSDHQELNLDVSLQ[GLN:CtermProteinFull]A[ALA:NtermProteinFull]ISC[CYS:disulfide]GSPPPILNGRISYYSTPIAVGTVIRYSC[CYS:disulfide]SGTFRLIGEKSLLC[CYS:disulfide]ITKDKVDGTWDKPAPKC[CYS:disulfide]EYFNKYSSC[CYS:disulfide]PEPIVPGGYKIRGSTPYRHGDSVTFAC[CYS:disulfide]KTNFSMNGNKSVWC[CYS:disulfide]QANNMWGPTRLPTC[CYS:disulfide]VS[SER:CtermProteinFull]X HKH_2021_1GHQ_run_2_complex.295_chain_B_2_0000100001_0000001_0
NONCANONICAL_CONNECTION: 165  SG  108  SG
NONCANONICAL_CONNECTION: 353  SG  311  SG
NONCANONICAL_CONNECTION: 370  SG  339  SG
NONCANONICAL_CONNECTION: 420  SG  379  SG
NONCANONICAL_CONNECTION: 434  SG  406  SG
CHAIN_ENDINGS  307 HKH_2021_1GHQ_run_2_complex.295_chain_B_2_0000100001_0000001_0
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SCORE:  -1341.731  -2772.062    298.672   1841.652               -152.051                 46.633                100.121    970.030      -1057.183            -4.391                 -29.556   -900.335         -116.217       -230.509        -74.014       -104.805     -65.431       -6.843                   27.331      1.968        36.637       193.681        352.429    -95.621      87.497    -33.370       0.000         71.598        272.407   8916.000 HKH_2021_1GHQ_run_1_complex.120_chain_B_7_0000100001_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_1_complex.120_chain_B_7_0000100001_0000001_0
FOLD_TREE  EDGE 437 279 2  EDGE 279 1 -1  EDGE 279 307 -1  EDGE 1 308 1  EDGE 308 436 -1  HKH_2021_1GHQ_run_1_complex.120_chain_B_7_0000100001_0000001_0
RT 0.155552 0.501307 0.851173 -0.152422 -0.839161 0.522088 0.975998 -0.210949 -0.054123 -27.8954 -18.0077 -16.1263   HKH_2021_1GHQ_run_1_complex.120_chain_B_7_0000100001_0000001_0
RT -0.32842 -0.808226 -0.488785 -0.943295 0.254182 0.213509 -0.048323 0.531189 -0.845874 -1.97137 0.0347327 -0.489019   HKH_2021_1GHQ_run_1_complex.120_chain_B_7_0000100001_0000001_0
ANNOTATED_SEQUENCE: M[MET:NtermProteinFull]LDAERLKHLIVTPSGAGEQNMIGMTPTVIAVH[HIS_D]YLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLC[CYS:disulfide]GAVKWLILEKQKPDGVFQEDAPVIH[HIS_D]QEMIGGLRNNNEKDMALTAFVLISLQEAKDIC[CYS:disulfide]EEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPSDHQELNLDVSLQ[GLN:CtermProteinFull]A[ALA:NtermProteinFull]ISC[CYS:disulfide]GSPPPILNGRISYYSTPIAVGTVIRYSC[CYS:disulfide]SGTFRLIGEKSLLC[CYS:disulfide]ITKDKVDGTWDKPAPKC[CYS:disulfide]EYFNKYSSC[CYS:disulfide]PEPIVPGGYKIRGSTPYRHGDSVTFAC[CYS:disulfide]KTNFSMNGNKSVWC[CYS:disulfide]QANNMWGPTRLPTC[CYS:disulfide]VS[SER:CtermProteinFull]X HKH_2021_1GHQ_run_1_complex.120_chain_B_7_0000100001_0000001_0
NONCANONICAL_CONNECTION: 165  SG  108  SG
NONCANONICAL_CONNECTION: 353  SG  311  SG
NONCANONICAL_CONNECTION: 370  SG  339  SG
NONCANONICAL_CONNECTION: 420  SG  379  SG
NONCANONICAL_CONNECTION: 434  SG  406  SG
CHAIN_ENDINGS  307 HKH_2021_1GHQ_run_1_complex.120_chain_B_7_0000100001_0000001_0
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SCORE:  -1302.541  -2782.841    300.756   1871.178               -152.856                 46.852                 99.439    978.901      -1061.975            -4.699                 -31.133   -903.619         -105.573       -231.727        -76.655       -105.712     -65.394       -6.773                   33.433      4.628        32.794       195.294        361.387    -96.342      85.146    -33.370       0.000         73.549        272.771   6995.000 HKH_2021_1GHQ_run_1_complex.679_chain_B_5_0000100001_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_1_complex.679_chain_B_5_0000100001_0000001_0
FOLD_TREE  EDGE 437 153 2  EDGE 153 1 -1  EDGE 153 307 -1  EDGE 1 308 1  EDGE 308 436 -1  HKH_2021_1GHQ_run_1_complex.679_chain_B_5_0000100001_0000001_0
RT -0.0363283 -0.475804 -0.878801 -0.993285 -0.0794653 0.0840854 -0.109842 0.875954 -0.469723 9.48567 19.0575 46.0626   HKH_2021_1GHQ_run_1_complex.679_chain_B_5_0000100001_0000001_0
RT 0.133346 -0.435336 -0.890338 -0.824106 -0.547724 0.144386 -0.550516 0.714479 -0.4318 0.520139 -0.113613 5.7268   HKH_2021_1GHQ_run_1_complex.679_chain_B_5_0000100001_0000001_0
ANNOTATED_SEQUENCE: M[MET:NtermProteinFull]LDAERLKHLIVTPSGAGEQNMIGMTPTVIAVH[HIS_D]YLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLC[CYS:disulfide]GAVKWLILEKQKPDGVFQEDAPVIHQEMIGGLRNNNEKDMALTAFVLISLQEAKDIC[CYS:disulfide]EEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPSDHQELNLDVSLQ[GLN:CtermProteinFull]A[ALA:NtermProteinFull]ISC[CYS:disulfide]GSPPPILNGRISYYSTPIAVGTVIRYSC[CYS:disulfide]SGTFRLIGEKSLLC[CYS:disulfide]ITKDKVDGTWDKPAPKC[CYS:disulfide]EYFNKYSSC[CYS:disulfide]PEPIVPGGYKIRGSTPYRHGDSVTFAC[CYS:disulfide]KTNFSMNGNKSVWC[CYS:disulfide]QANNMWGPTRLPTC[CYS:disulfide]VS[SER:CtermProteinFull]X HKH_2021_1GHQ_run_1_complex.679_chain_B_5_0000100001_0000001_0
NONCANONICAL_CONNECTION: 165  SG  108  SG
NONCANONICAL_CONNECTION: 353  SG  311  SG
NONCANONICAL_CONNECTION: 370  SG  339  SG
NONCANONICAL_CONNECTION: 420  SG  379  SG
NONCANONICAL_CONNECTION: 434  SG  406  SG
CHAIN_ENDINGS  307 HKH_2021_1GHQ_run_1_complex.679_chain_B_5_0000100001_0000001_0
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SCORE:  -1297.617  -2743.400    300.725   1826.383               -152.365                 46.446                 99.950    961.734      -1048.784            -4.379                 -29.589   -888.476         -116.217       -232.471        -69.438        -92.110     -58.387       -6.924                   31.597      5.161        34.780       196.523        350.963    -93.974      85.222    -33.370       0.000         69.530        263.255   6555.000 HKH_2021_1GHQ_run_1_complex.936_chain_B_12_0000200002_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_1_complex.936_chain_B_12_0000200002_0000001_0
FOLD_TREE  EDGE 437 277 2  EDGE 277 1 -1  EDGE 277 307 -1  EDGE 1 308 1  EDGE 308 436 -1  HKH_2021_1GHQ_run_1_complex.936_chain_B_12_0000200002_0000001_0
RT -0.502624 0.623973 -0.598353 -0.558564 -0.762662 -0.326117 -0.65983 0.170304 0.731861 -5.08529 25.1692 42.6314   HKH_2021_1GHQ_run_1_complex.936_chain_B_12_0000200002_0000001_0
RT -0.34563 -0.244533 0.905949 0.181085 -0.964682 -0.191301 0.920732 0.0979347 0.377705 -7.83848 2.36372 -4.13512   HKH_2021_1GHQ_run_1_complex.936_chain_B_12_0000200002_0000001_0
ANNOTATED_SEQUENCE: M[MET:NtermProteinFull]LDAERLKHLIVTPSGAGEQNMIGMTPTVIAVH[HIS_D]YLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLC[CYS:disulfide]GAVKWLILEKQKPDGVFQEDAPVIH[HIS_D]QEMIGGLRNNNEKDMALTAFVLISLQEAKDIC[CYS:disulfide]EEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPSDHQELNLDVSLQ[GLN:CtermProteinFull]A[ALA:NtermProteinFull]ISC[CYS:disulfide]GSPPPILNGRISYYSTPIAVGTVIRYSC[CYS:disulfide]SGTFRLIGEKSLLC[CYS:disulfide]ITKDKVDGTWDKPAPKC[CYS:disulfide]EYFNKYSSC[CYS:disulfide]PEPIVPGGYKIRGSTPYRHGDSVTFAC[CYS:disulfide]KTNFSMNGNKSVWC[CYS:disulfide]QANNMWGPTRLPTC[CYS:disulfide]VS[SER:CtermProteinFull]X HKH_2021_1GHQ_run_1_complex.936_chain_B_12_0000200002_0000001_0
NONCANONICAL_CONNECTION: 165  SG  108  SG
NONCANONICAL_CONNECTION: 353  SG  311  SG
NONCANONICAL_CONNECTION: 370  SG  339  SG
NONCANONICAL_CONNECTION: 420  SG  379  SG
NONCANONICAL_CONNECTION: 434  SG  406  SG
CHAIN_ENDINGS  307 HKH_2021_1GHQ_run_1_complex.936_chain_B_12_0000200002_0000001_0
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LuRAtCJ/kVKUvjciQuRgtCJ/kVKUvjciQuRAtCJ/kXKUvjciQ HKH_2021_1GHQ_run_1_complex.936_chain_B_12_0000200002_0000001_0
SCORE:  -1329.936  -2748.638    297.422   1830.237               -151.445                 45.575                 96.256    964.406      -1048.578            -4.003                 -27.887   -897.972         -104.308       -235.038        -69.696       -104.155     -63.830       -6.488                   26.398      5.066        34.791       188.096        348.603    -95.533      84.925    -33.370       0.000         72.557        266.675   9485.000 HKH_2021_1GHQ_run_1_complex.161_chain_B_9_0000100001_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_1_complex.161_chain_B_9_0000100001_0000001_0
FOLD_TREE  EDGE 437 154 2  EDGE 154 1 -1  EDGE 154 307 -1  EDGE 1 308 1  EDGE 308 436 -1  HKH_2021_1GHQ_run_1_complex.161_chain_B_9_0000100001_0000001_0
RT 0.76859 0.23702 -0.594214 -0.570611 0.673964 -0.469229 0.289263 0.69971 0.653249 -34.9148 22.2519 21.5877   HKH_2021_1GHQ_run_1_complex.161_chain_B_9_0000100001_0000001_0
RT 0.611682 -0.660554 0.435333 -0.668449 -0.725865 -0.162163 0.42311 -0.191805 -0.885544 -1.00643 4.23511 7.05286   HKH_2021_1GHQ_run_1_complex.161_chain_B_9_0000100001_0000001_0
ANNOTATED_SEQUENCE: M[MET:NtermProteinFull]LDAERLKHLIVTPSGAGEQNMIGMTPTVIAVH[HIS_D]YLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLC[CYS:disulfide]GAVKWLILEKQKPDGVFQEDAPVIH[HIS_D]QEMIGGLRNNNEKDMALTAFVLISLQEAKDIC[CYS:disulfide]EEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPSDHQELNLDVSLQ[GLN:CtermProteinFull]A[ALA:NtermProteinFull]ISC[CYS:disulfide]GSPPPILNGRISYYSTPIAVGTVIRYSC[CYS:disulfide]SGTFRLIGEKSLLC[CYS:disulfide]ITKDKVDGTWDKPAPKC[CYS:disulfide]EYFNKYSSC[CYS:disulfide]PEPIVPGGYKIRGSTPYRHGDSVTFAC[CYS:disulfide]KTNFSMNGNKSVWC[CYS:disulfide]QANNMWGPTRLPTC[CYS:disulfide]VS[SER:CtermProteinFull]X HKH_2021_1GHQ_run_1_complex.161_chain_B_9_0000100001_0000001_0
NONCANONICAL_CONNECTION: 165  SG  108  SG
NONCANONICAL_CONNECTION: 353  SG  311  SG
NONCANONICAL_CONNECTION: 370  SG  339  SG
NONCANONICAL_CONNECTION: 420  SG  379  SG
NONCANONICAL_CONNECTION: 434  SG  406  SG
CHAIN_ENDINGS  307 HKH_2021_1GHQ_run_1_complex.161_chain_B_9_0000100001_0000001_0
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LgDdhCN0rPK0zYIlQdu7hCZGsOKUfyXlQvzCiC59+QKkYKnlQUs2hCNcPTKkSZilQW5miCBEDOK0SeNlQmy5iCJcgQK0huGlQjVhiCJdPMKENF6kQqElhCF3bRKEpqBlQZzuhCVO+MK0JYglQBu7iC9KFNK0tGZlQ2zDjCZIgRKU8LTlQNgAjC9I2LK0h7ykQprSiCRhXKK0cD/kQ4LNiCBrMNKUxfukQ HKH_2021_1GHQ_run_1_complex.161_chain_B_9_0000100001_0000001_0
L7dXiC5NfQKEhK5lQjmeiC1GqSKUZWImQZfIjCpoLUK0v5EmQLrnjC9lHTKUoO8lQuKbiC98kRKkRKfmQ1KuhCl0RQKEuzkmQjZKhCdzRSKkiwpmQz79gC5b0TKUz4WmQ+sjgCJdCTK0LwGmQkhQgC54rQKETtGmQBZegChKsUKECo2lQrihiCdPnOK0Bf8lQZxFiChNIUKUf8FmQLuziCZUEQKEXvhmQGFhiCZPMTKERgqmQHxjhCNrDPKkuXXmQZ/xhCNDAPKEN0ymQdZugCpMORKUpwvmQxgVhCdUrTKUS71mQvTLhC5ypVK00dVmQAzUgCxrZPKkU4SmQHT7fCh2KQK0kN6lQo3ugClCdWK0061lQcvMgCZTNUKkslplQ HKH_2021_1GHQ_run_1_complex.161_chain_B_9_0000100001_0000001_0
Ln7IjC1irWKkJiMmQvDujCNAcYKkZTLmQd4VkCVgPXKU7gVmQCoSkC1xzVKEtclmQeNkjCBtGbKkexWmQC9FjCtdCdKUrfLmQ3A4iC9uMfKEdramQgHejCNFZeK0ef5lQ6htiCV4ZXKkh4SmQ1CzjC5myYKELe6lQK+VjCZQoaKEVNmmQ8NCkChJKcKEh+ZmQxDqiCJ/9bKkHbFmQ26iiCF6kgK0HcSmQa7miCRoTeKEEIomQXIUjC1NRgK0bmgmQYJJjCpowfK0NyxlQYZ5jCxFefKUfFAmQhepjCpm9cKkC8tlQ HKH_2021_1GHQ_run_1_complex.161_chain_B_9_0000100001_0000001_0
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Lqe5sCpefVKUDIRiQqeZtCpefVKUDIRiQqe5sCpefXKUDIRiQ HKH_2021_1GHQ_run_1_complex.161_chain_B_9_0000100001_0000001_0
SCORE:  -1329.785  -2733.204    290.162   1825.101               -150.080                 45.269                 96.251    956.627      -1046.942            -3.910                 -27.245   -891.348         -108.222       -233.867        -72.398       -102.864     -68.152       -7.028                   24.537      4.147        33.655       196.979        352.315    -98.208      86.274    -33.370       0.000         72.779        262.955  11562.000 HKH_2021_1GHQ_run_1_complex.1595_chain_B_5_0000200002_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_1_complex.1595_chain_B_5_0000200002_0000001_0
FOLD_TREE  EDGE 437 160 2  EDGE 160 1 -1  EDGE 160 307 -1  EDGE 1 308 1  EDGE 308 436 -1  HKH_2021_1GHQ_run_1_complex.1595_chain_B_5_0000200002_0000001_0
RT 0.295294 0.810989 -0.505073 -0.90504 0.068067 -0.419844 -0.30611 0.581089 0.754077 -34.8271 47.3362 7.52098   HKH_2021_1GHQ_run_1_complex.1595_chain_B_5_0000200002_0000001_0
RT -0.468154 -0.109689 -0.876813 -0.817456 -0.323042 0.476874 -0.335555 0.940006 0.0615679 -1.23621 4.17955 6.43004   HKH_2021_1GHQ_run_1_complex.1595_chain_B_5_0000200002_0000001_0
ANNOTATED_SEQUENCE: M[MET:NtermProteinFull]LDAERLKHLIVTPSGAGEQNMIGMTPTVIAVH[HIS_D]YLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLC[CYS:disulfide]GAVKWLILEKQKPDGVFQEDAPVIH[HIS_D]QEMIGGLRNNNEKDMALTAFVLISLQEAKDIC[CYS:disulfide]EEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPSDHQELNLDVSLQ[GLN:CtermProteinFull]A[ALA:NtermProteinFull]ISC[CYS:disulfide]GSPPPILNGRISYYSTPIAVGTVIRYSC[CYS:disulfide]SGTFRLIGEKSLLC[CYS:disulfide]ITKDKVDGTWDKPAPKC[CYS:disulfide]EYFNKYSSC[CYS:disulfide]PEPIVPGGYKIRGSTPYRHGDSVTFAC[CYS:disulfide]KTNFSMNGNKSVWC[CYS:disulfide]QANNMWGPTRLPTC[CYS:disulfide]VS[SER:CtermProteinFull]X HKH_2021_1GHQ_run_1_complex.1595_chain_B_5_0000200002_0000001_0
NONCANONICAL_CONNECTION: 165  SG  108  SG
NONCANONICAL_CONNECTION: 353  SG  311  SG
NONCANONICAL_CONNECTION: 370  SG  339  SG
NONCANONICAL_CONNECTION: 420  SG  379  SG
NONCANONICAL_CONNECTION: 434  SG  406  SG
CHAIN_ENDINGS  307 HKH_2021_1GHQ_run_1_complex.1595_chain_B_5_0000200002_0000001_0
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