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:  -1335.580  -2741.111    292.751   1822.412               -154.190                 46.953                102.424    960.957      -1046.756            -4.519                 -30.625   -890.606         -113.256       -233.972        -72.467       -101.533     -62.616       -6.515                   30.144      3.892        34.635       191.745        342.110    -97.074      85.600    -33.370       0.000         70.928        268.479   8946.000 HKH_2021_1GHQ_run_1_complex.791_chain_B_5_0000100001_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_1_complex.791_chain_B_5_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_1_complex.791_chain_B_5_0000100001_0000001_0
RT 0.598883 -0.603099 -0.526888 -0.195858 -0.748244 0.633853 -0.776517 -0.276409 -0.566233 -9.46103 -17.2601 52.7097   HKH_2021_1GHQ_run_1_complex.791_chain_B_5_0000100001_0000001_0
RT -0.409911 -0.224594 0.884042 0.196129 -0.968243 -0.155045 0.89079 0.109831 0.440943 -0.355518 -2.36402 0.71568   HKH_2021_1GHQ_run_1_complex.791_chain_B_5_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_1_complex.791_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.791_chain_B_5_0000100001_0000001_0
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SCORE:  -1269.719  -2733.338    297.376   1842.953               -152.123                 46.569                 98.472    964.917      -1051.772            -4.170                 -28.093   -888.321         -107.072       -231.133        -71.564       -100.566     -70.068       -6.928                   32.549      5.536        34.427       195.464        351.425    -99.015      82.453    -33.370       0.000         82.366        273.309   8332.000 HKH_2021_1GHQ_run_2_complex.457_chain_B_1_0000100001_0000001_1
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_2_complex.457_chain_B_1_0000100001_0000001_1
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.457_chain_B_1_0000100001_0000001_1
RT 0.677114 -0.212397 0.70456 0.558319 0.771982 -0.303848 -0.479371 0.599108 0.641305 -44.937 -23.8824 24.9381   HKH_2021_1GHQ_run_2_complex.457_chain_B_1_0000100001_0000001_1
RT 0.199362 -0.977947 -0.0622475 -0.756815 -0.113308 -0.643733 0.622483 0.175446 -0.762715 -2.15659 -0.175216 -1.54362   HKH_2021_1GHQ_run_2_complex.457_chain_B_1_0000100001_0000001_1
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.457_chain_B_1_0000100001_0000001_1
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.457_chain_B_1_0000100001_0000001_1
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L7dz4C1JDPKUbw6kQYsV4CdkyMKkpj6kQ05s4CJAIKKEzw9kQ1OP5CFDqJKkNj0kQu883CVOuMK0tKlkQVPY3CVBjKKkjOikQN2x2Cp4OLKUflwkQlNK3CRxaKKkj6KkQS5D5CxFfPKUoStkQuF/3CJXDNKE1oHlQg9t3CJ0pOKk1djkQZ1T4CxcdMKEZHYkQSfk3CdclIKUO5mkQk0Y2CVzvJK0wqukQYj72CVPSLKk4EBlQopl2C59KNKUy/rkQ//x2Chj4IKUhaJkQUU92Ch+TMKEf/FkQqal3CdX6JK04xAkQ HKH_2021_1GHQ_run_2_complex.457_chain_B_1_0000100001_0000001_1
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L7Jn2C5vPFKkJ03lQDMP2CZ7oHKkcjylQI5w1C5WKHKUv6flQ97N1CJxSIKELTflQHdu2Cl72JKEjutlQOvE3CJpALKUAZBmQ5Vo3CpT3MKkez7lQr2z3CxxiOKk77NmQ6yO4CxW7NKU0XemQj0i4C9mlLKUL7fmQnFV4CxtvPK0witmQe8H3ClrSFKkiN2lQIV81ClPNIK0EhAmQxPH3C54EJKUBYjlQA3e2CVUaLKUBMllQ4tt2Cx3FMKEaGLmQRDS3Cd8XJKk5xKmQcYE4CdVuLKk4D3lQbGf3CFdIOKkdnulQ9Qm3CFrZQKUA/NmQ30f4CF/FKKEckUmQcX24CVnOLKUmXsmQ/HG4ClRiRKERpsmQsyo4CZKWPKkx65mQ HKH_2021_1GHQ_run_2_complex.457_chain_B_1_0000100001_0000001_1
LDn+1CRlfFKEkyQlQEqk1CtsuEKEOl+kQg8B1C9XwCKkvBGlQ3Id0Cpy8CKU1X/kQ6+B2CBzmDKU1BtkQQuu1CdZyCK0UAXkQnTX1CBOFFKEujMkQNlT2CB+BCK0N9IkQISd2Cp1xEK050RlQHAV1CFNhGKUri4kQrDb2CF9DFKUMBqkQMjR2C5h1BKUDnzkQPsY1CB+GBKE31YkQPTL1CVtdEK0L58jQ0s80CdSqFK0dbWkQN5s1CtUvGKEArKkQBlH2CpidBKEZZ5jQFDp2CR6uDKU4NHkQ/0k2C9GYAKUSJQkQ HKH_2021_1GHQ_run_2_complex.457_chain_B_1_0000100001_0000001_1
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L5AiyCJKABK0gXFlQiyGyCdTk9JEjx+kQTkjxCp3R9JE5dPlQnTqxClDf7JEeihlQjmfyCpCL4JEg09kQ9vHzCNEj4J0PnukQatByCV6gzJELl3kQEk+yCx3C6J0LYXkQuy5yCpfsAKEsYQlQLH4xCVna+JE0XvkQLYsyCpeX3J0OyNlQMqdzCZai7JE5O1kQ1wXzCVYr0JkDsukQuoTyCh+xvJUqw3kQXynxCJ/QzJk9HDlQ/n0xCpoI0J0WAokQUnczCF3L6JE0gOkQ+lpyC9wI3JEl+PkQ2kvyC9m89Jku9WkQ HKH_2021_1GHQ_run_2_complex.457_chain_B_1_0000100001_0000001_1
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LselqCNjaEK0Q/TlQO9JqCJEzGKEWWUlQoQxpC9+YHKEus/kQlcnpCdKmFK0IGzkQj2YqCNynCKkY6XlQQMzpCZTmGKkschlQImdqCBBiIKk/QYlQ HKH_2021_1GHQ_run_2_complex.457_chain_B_1_0000100001_0000001_1
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SCORE:  -1332.985  -2722.678    288.798   1822.995               -154.040                 46.527                100.181    958.303      -1041.912            -4.211                 -28.923   -890.888         -111.183       -233.811        -70.064        -96.743     -69.390       -6.757                   21.788      3.131        31.812       196.410        345.156    -95.673      84.196    -33.370       0.000         68.239        259.121   9493.000 HKH_2021_1GHQ_run_2_complex.127_chain_B_9_0000100001_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_2_complex.127_chain_B_9_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.127_chain_B_9_0000100001_0000001_0
RT 0.861064 -0.500837 -0.0879248 0.477571 0.855897 -0.198408 0.174624 0.128851 0.976168 -31.9316 -24.719 2.81538   HKH_2021_1GHQ_run_2_complex.127_chain_B_9_0000100001_0000001_0
RT -0.37892 -0.240352 0.893672 0.1721 -0.96714 -0.187141 0.909286 0.0828897 0.407834 -2.18112 0.414495 0.478366   HKH_2021_1GHQ_run_2_complex.127_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_2_complex.127_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_2_complex.127_chain_B_9_0000100001_0000001_0
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LITnvCRMrZKkj6ejQITHwCRMrZKkj6ejQITnvCRMrbKkj6ejQ HKH_2021_1GHQ_run_2_complex.127_chain_B_9_0000100001_0000001_0
SCORE:  -1316.493  -2717.336    294.270   1814.706               -153.549                 46.274                101.181    947.341      -1042.156            -4.293                 -29.161   -886.975         -107.798       -233.712        -71.445       -100.508     -60.311       -6.247                   26.413      3.841        33.887       193.038        341.233    -96.669      85.443    -33.370       0.000         71.056        268.352   1432.000 HKH_2021_1GHQ_run_1_complex.241_chain_B_19_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1GHQ_run_1_complex.241_chain_B_19_0000100001_0000001_0
RES_NUM A:1-307 B:308-437 HKH_2021_1GHQ_run_1_complex.241_chain_B_19_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_1_complex.241_chain_B_19_0000100001_0000001_0
RT -0.658088 0.747109 -0.0935323 -0.148799 -0.250819 -0.956529 -0.738092 -0.615563 0.276231 5.94568 7.07569 43.1782   HKH_2021_1GHQ_run_1_complex.241_chain_B_19_0000100001_0000001_0
RT -0.369492 -0.259314 0.892318 0.172593 -0.962715 -0.208305 0.913065 0.0770408 0.400471 -3.11969 -0.400401 -0.589469   HKH_2021_1GHQ_run_1_complex.241_chain_B_19_0000100001_0000001_0
ANNOTATED_SEQUENCE: M[MET:NtermProteinFull]LDAERLKHLIVTPSGAGEQNMIGMTPTVIAVH[HIS_D]YLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLC[CYS:disulfide]GAVKWLILEKQKPDGVFQEDAPVIHQEMIGGLRNNNEKDMALTAFVLISLQEAKDIC[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_1_complex.241_chain_B_19_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.241_chain_B_19_0000100001_0000001_0
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L9WRvC1hAbK05UTjQ9WxvC1hAbK05UTjQ9WRvC1hAdK05UTjQ HKH_2021_1GHQ_run_1_complex.241_chain_B_19_0000100001_0000001_0
SCORE:  -1301.730  -2811.426    304.062   1866.182               -151.967                 47.849                 98.781    975.332      -1068.376            -4.178                 -28.427   -894.027         -109.312       -231.177        -69.908       -107.186     -65.573       -6.913                   32.123      7.352        37.971       201.998        363.515    -94.880      86.436    -33.370       0.000         75.868        277.519   9022.000 HKH_2021_1GHQ_run_2_complex.122_chain_B_3_0000200002_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_2_complex.122_chain_B_3_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_2_complex.122_chain_B_3_0000200002_0000001_0
RT 0.793562 0.103896 0.599554 -0.301347 -0.788897 0.535566 0.52863 -0.605679 -0.59473 -36.5743 -12.9907 13.1608   HKH_2021_1GHQ_run_2_complex.122_chain_B_3_0000200002_0000001_0
RT -0.388507 -0.223769 0.893862 0.20018 -0.967393 -0.155171 0.899439 0.118649 0.420633 0.304744 -0.0408444 -0.495056   HKH_2021_1GHQ_run_2_complex.122_chain_B_3_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_2_complex.122_chain_B_3_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_2_complex.122_chain_B_3_0000200002_0000001_0
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SCORE:  -1347.119  -2744.861    296.061   1820.263               -152.740                 46.027                100.004    956.527      -1047.973            -3.950                 -27.153   -901.333         -111.794       -231.785        -72.512       -101.229     -71.178       -6.546                   24.815      2.876        34.291       191.592        354.821    -96.193      86.469    -33.370       0.000         73.178        268.576   3027.000 HKH_2021_1GHQ_run_2_complex.548_chain_B_6_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1GHQ_run_2_complex.548_chain_B_6_0000100001_0000001_0
RES_NUM A:1-307 B:308-437 HKH_2021_1GHQ_run_2_complex.548_chain_B_6_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.548_chain_B_6_0000100001_0000001_0
RT 0.515161 -0.192206 0.835264 -0.845819 -0.271553 0.459182 0.138561 -0.943035 -0.302465 -36.0299 -9.03957 17.0965   HKH_2021_1GHQ_run_2_complex.548_chain_B_6_0000100001_0000001_0
RT -0.382848 -0.261612 0.885994 0.183906 -0.961451 -0.204425 0.905321 0.0846762 0.416202 -1.47837 0.0260219 1.63611   HKH_2021_1GHQ_run_2_complex.548_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.548_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.548_chain_B_6_0000100001_0000001_0
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SCORE:  -1339.590  -2743.517    294.735   1830.362               -151.311                 46.956                 98.293    963.011      -1050.381            -4.292                 -29.259   -899.278         -108.170       -232.101        -68.844        -99.726     -67.167       -6.865                   22.473      4.131        36.681       194.971        344.886    -98.227      84.277    -33.370       0.000         66.275        265.868   9268.000 HKH_2021_1GHQ_run_1_complex.185_chain_B_15_0000100001_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_1_complex.185_chain_B_15_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_1_complex.185_chain_B_15_0000100001_0000001_0
RT -0.725322 0.66357 -0.183257 -0.0843574 -0.34987 -0.932992 -0.683222 -0.66126 0.309746 -1.75626 1.14423 41.9463   HKH_2021_1GHQ_run_1_complex.185_chain_B_15_0000100001_0000001_0
RT -0.373177 -0.253003 0.892596 0.18661 -0.962905 -0.194914 0.908799 0.0938298 0.406547 -5.06209 1.21318 -0.718049   HKH_2021_1GHQ_run_1_complex.185_chain_B_15_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.185_chain_B_15_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.185_chain_B_15_0000100001_0000001_0
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SCORE:  -1340.497  -2734.757    297.333   1810.892               -151.399                 45.782                 99.072    954.096      -1041.719            -4.090                 -28.387   -901.780         -111.818       -232.022        -72.383       -105.567     -67.478       -7.153                   26.241      3.425        38.639       192.766        353.383    -95.859      84.802    -33.370       0.000         67.995        272.860   1449.000 HKH_2021_1GHQ_run_2_complex.510_chain_B_0_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1GHQ_run_2_complex.510_chain_B_0_0000100001_0000001_0
RES_NUM A:1-307 B:308-437 HKH_2021_1GHQ_run_2_complex.510_chain_B_0_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.510_chain_B_0_0000100001_0000001_0
RT 0.532977 -0.74532 -0.400543 -0.654905 -0.663114 0.362464 -0.535757 0.0691323 -0.841537 -25.0035 -4.37695 53.1069   HKH_2021_1GHQ_run_2_complex.510_chain_B_0_0000100001_0000001_0
RT -0.383775 -0.250669 0.888753 0.198529 -0.962342 -0.185697 0.901833 0.105177 0.419088 -4.27255 0.571775 -0.498966   HKH_2021_1GHQ_run_2_complex.510_chain_B_0_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.510_chain_B_0_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.510_chain_B_0_0000100001_0000001_0
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SCORE:  -1310.715  -2794.913    310.819   1852.747               -151.550                 45.662                 98.674    971.835      -1061.200            -4.439                 -30.639   -882.340         -100.784       -232.918        -73.647       -107.668     -61.687       -6.628                   28.827      4.333        36.226       191.432        348.419    -96.759      82.152    -33.370       0.000         74.219        282.482  13105.000 HKH_2021_1GHQ_run_2_complex.30_chain_B_11_0000100001_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_2_complex.30_chain_B_11_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.30_chain_B_11_0000100001_0000001_0
RT 0.2626 -0.567481 -0.780389 -0.611249 -0.72363 0.320522 -0.746603 0.392842 -0.536897 0.730561 -0.356261 45.6536   HKH_2021_1GHQ_run_2_complex.30_chain_B_11_0000100001_0000001_0
RT -0.418647 -0.277634 0.86467 0.236964 -0.952535 -0.191115 0.876689 0.124886 0.464565 0.979564 -0.786693 -0.126816   HKH_2021_1GHQ_run_2_complex.30_chain_B_11_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.30_chain_B_11_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.30_chain_B_11_0000100001_0000001_0
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SCORE:  -1341.353  -2751.926    292.188   1827.815               -152.590                 46.669                 98.640    966.678      -1051.789            -4.100                 -29.334   -889.892         -112.201       -233.788        -68.461       -103.821     -70.139       -6.591                   23.148      3.435        33.243       196.144        350.160    -95.421      80.947    -33.370       0.000         75.429        267.574   9463.000 HKH_2021_1GHQ_run_1_complex.261_chain_B_12_0000100001_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_1_complex.261_chain_B_12_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_1_complex.261_chain_B_12_0000100001_0000001_0
RT -0.978745 0.184768 -0.0889852 0.160752 0.421778 -0.892335 -0.127343 -0.887673 -0.442515 17.7041 -6.61865 21.6694   HKH_2021_1GHQ_run_1_complex.261_chain_B_12_0000100001_0000001_0
RT -0.348968 -0.208915 0.913551 0.142048 -0.975363 -0.16879 0.926307 0.0708657 0.370046 1.71512 1.04607 1.05379   HKH_2021_1GHQ_run_1_complex.261_chain_B_12_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.261_chain_B_12_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.261_chain_B_12_0000100001_0000001_0
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SCORE:  -1338.053  -2745.098    294.119   1824.449               -149.877                 45.445                 95.872    957.104      -1047.357            -4.383                 -29.859   -892.889         -110.497       -234.464        -73.237        -98.604     -65.161       -6.858                   25.246      4.338        32.484       197.786        352.141    -95.039      85.841    -33.370       0.000         72.586        261.228  13259.000 HKH_2021_1GHQ_run_2_complex.753_chain_B_18_0000100001_0000001_0
RES_NUM A:1-307 B:308-436 z:1 HKH_2021_1GHQ_run_2_complex.753_chain_B_18_0000100001_0000001_0
FOLD_TREE  EDGE 437 280 2  EDGE 280 1 -1  EDGE 280 307 -1  EDGE 1 308 1  EDGE 308 436 -1  HKH_2021_1GHQ_run_2_complex.753_chain_B_18_0000100001_0000001_0
RT -0.720275 -0.0387986 -0.692602 -0.29804 -0.884276 0.359484 -0.626399 0.46535 0.625359 13.3989 -10.5786 4.04446   HKH_2021_1GHQ_run_2_complex.753_chain_B_18_0000100001_0000001_0
RT 0.0994781 -0.921101 0.3764 -0.407158 -0.382838 -0.829251 0.907924 -0.0707617 -0.413118 -0.213583 0.315081 2.63668   HKH_2021_1GHQ_run_2_complex.753_chain_B_18_0000100001_0000001_0
ANNOTATED_SEQUENCE: M[MET:NtermProteinFull]LDAERLKHLIVTPSGAGEQNMIGMTPTVIAVHYLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLC[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.753_chain_B_18_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.753_chain_B_18_0000100001_0000001_0
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SCORE:  -1326.052  -2736.388    291.363   1810.482               -153.203                 46.573                 99.697    952.125      -1040.654            -3.739                 -25.967   -883.484         -112.742       -234.929        -69.837       -101.772     -57.331       -7.072                   27.548      5.734        34.043       197.605        348.936    -96.764      85.056    -33.370       0.000         66.675        265.364   1826.000 HKH_2021_1GHQ_run_2_complex.464_chain_B_1_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1GHQ_run_2_complex.464_chain_B_1_0000100001_0000001_0
RES_NUM A:1-307 B:308-437 HKH_2021_1GHQ_run_2_complex.464_chain_B_1_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.464_chain_B_1_0000100001_0000001_0
RT -0.480871 -0.69203 -0.538384 0.83551 -0.175476 -0.520702 0.265868 -0.700216 0.662579 -5.44443 -13.5115 18.5428   HKH_2021_1GHQ_run_2_complex.464_chain_B_1_0000100001_0000001_0
RT 0.274805 -0.961182 0.0247139 -0.674835 -0.211119 -0.707125 0.684894 0.177644 -0.706656 -6.25283 1.57044 -5.98699   HKH_2021_1GHQ_run_2_complex.464_chain_B_1_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.464_chain_B_1_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.464_chain_B_1_0000100001_0000001_0
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