SEQUENCE: DKCKEREEKIILVSSANEIDVRPCPLNPNEHKGTITWYKDDSKTPVSTEQASRIHQHKEKLWFVPAKVEDSGHYYCVVRNSSYCLRIKISAKFVENEPNLCYNAQAIFKQKLPVAGDGGLVCPYMEFFKNENNELPKLQWYKDCKPLLLDNIHFSGVKDRLIVMNVAEKHRGNYTCHASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLICNVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKHPFTCFAKNTHGIDAAYIQLIYPVSSKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPHALFLGIHGGKMCLSCVKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAACPGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQEDX
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:  -1486.343  -2652.463    284.945   1703.212               -150.855                 49.931                108.758    902.172       -973.413            -5.778                 -37.090   -932.526         -156.691        -81.594       -235.120       -123.334     -67.640       -3.449                   30.162      5.583        33.430       223.693        420.250   -116.208      73.651   -101.507       0.000         45.806        269.732   9221.000 HKH_2021_1IRA_run_2_complex.75_chain_B_2_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.75_chain_B_2_0000100001_0000001_0
FOLD_TREE  EDGE 457 198 2  EDGE 198 1 -1  EDGE 198 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_2_complex.75_chain_B_2_0000100001_0000001_0
RT 0.0648775 -0.647937 0.758926 -0.758656 0.46203 0.459315 -0.648253 -0.605562 -0.461586 -19.8771 -33.5644 -16.4555   HKH_2021_1IRA_run_2_complex.75_chain_B_2_0000100001_0000001_0
RT -0.155856 -0.719533 0.676743 0.953689 -0.288052 -0.0866275 0.257268 0.631901 0.731105 -10.6745 -2.69336 -10.7243   HKH_2021_1IRA_run_2_complex.75_chain_B_2_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTH[HIS_D]GIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPHALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_2_complex.75_chain_B_2_0000100001_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_run_2_complex.75_chain_B_2_0000100001_0000001_0
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LlJXFCpOPpGUmMNlQlJXGCpOPpGUmMNlQlJXFCpOPxGUmMNlQ HKH_2021_1IRA_run_2_complex.75_chain_B_2_0000100001_0000001_0
SCORE:  -1530.201  -2607.520    264.207   1680.903               -148.783                 46.100                103.936    883.857       -959.752            -6.036                 -38.381   -935.422         -146.477        -79.862       -239.649       -119.204     -65.313       -6.230                   21.229      4.370        31.337       218.952        410.169   -114.954      74.373   -101.507       0.000         43.583        255.871   4932.000 HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
FOLD_TREE  EDGE 457 193 2  EDGE 193 1 -1  EDGE 193 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
RT -0.342133 0.309891 -0.887081 -0.934405 -0.0125778 0.355991 0.0991611 0.950689 0.293867 24.8155 -35.5248 -57.2489   HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
RT -0.0113249 0.189057 0.981901 0.98806 0.153008 -0.0180645 -0.153654 0.969972 -0.188532 -0.47468 -1.20958 -0.91385   HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTH[HIS_D]GIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
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L1RyQCJJ8sGc/qvkQbkDSCxb7uGsUk6kQkw2SCxmrkGcUm9kQa42TCtJkkGsmDJlQjy7SCVcv2G8mxtkQ9+MTCNqNyGsfEZkQeIQSCtnZBHMwVrkQ66yQCpMDsGcajfkQIi2RCB6UyGs5SKlQlU4TCtw23GccN2kQU19TC9lv1GM13SkQlu4SCxIwGHM6iikQgFFSCVgoEHc5/6kQ7gTRCpWcAH8S9ikQ HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
L5uaSCZzKcG8Q+ykQSVGTC1h3RGsqfzkQy9oSCRM/KGsmGGlQXKcRCR07IGM2hIlQRg2SCxhzLGMyqekQ/SeTCV3zQGcL/KkQEXMTCNzDKGcHH3jQ1tzTCJCCPG8hCjjQqHhTCJ8kIGsFfPjQR4kRCx0DdGMuWqkQc2KUC5eRTGs3Y1kQk/xRCBVTLGcA5bkQ7fOTCV1sDGcIKgkQeTjUCRVZRGcZXNkQAzETC1W2YGcTwIkQ8YHSCRcRJGsa50jQOanTClEFCGcuZ5jQ3z4UCpMkPG8gHljQO8ZTCh8DXGsr3gjQfN8TC9CHMGc7mCjQ4JhSCFQGIGclRNjQGc5TCB1IBGc/QRjQ HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
LGgmTCFEbHGM5+SlQO6TTC1F6AGsdsllQUbJUCpCstF8M2nlQoJUVCNujsFMJ2hlQRHhTCZ4ZHGcTN6lQ5TpSCRj4QGsEo7lQHJHTCpXyaGMcf1lQiMWRCxZ/PGManCmQhRTSCphljG8yb2lQOWiQCx1xYGsTYDmQc8ARChpliGcRV9lQ5IkUChcwJGsx8PlQuYRSCtT48F8d0klQrjjUCtNBKGcEL7lQlnUTC52RCGcG7HmQ+yIUCtcmbGcXpvlQPK+QCtyLIGchbHmQ/DsSC54VrGMtZxlQtwgPCp1/XGsswImQt7XQC56gpGMF69lQ HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
LrZkTCFJ4dFs/1xlQrFSUCZwoKFsSq3lQFtyUClf5PFsiAOmQIuEUCBBSaFsCYamQlbVTC5i23E8ej2lQoM7SCh2txEMCsflQhK4RCZUC8EMbQVlQoolTC57ghE8aXVlQgTjRCZ351E8fdAlQJWQTC9dcbE8b7AlQM6PSC1jnlEcAW2kQSt5RChqnfEsCihkQg6lSCt/YfF8yN2lQohIVCR3EIFMgBtlQvgcSCtlU8E8OJ/lQAsxTC1IDqEcFR+lQr2URCxk4IFMrLdlQNJYUCZDZZEszWdlQuDxQC12o9E8wF4kQyKzTChegOEcfM5kQw5YSC9lUSEcVbdkQ HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
L5QCWCNWCKFseQTmQEZjWCNopQF80IomQm3eXC1MS/EMw0wmQi5oYCd0a9E8qJqmQgsQXChBQmF8PekmQrXlXCV70zFsYT3mQ/DkWCNgy9FcJFCnQAt3YCJfm3Fsmk9mQiA0WC9inFGckATnQf+IZCNDkCGcNjOnQpUGYC9HgHG8IUZnQc4nWCxREBFsSOJmQXYuVCBIqSFMXRzmQI2oWCZO0vF872ZmQUKMYChwSjFMe4bmQK8iVCdm36F8Tw8mQlVrZC5G1vFsv+0mQmW/VCVHdJGseNbnQF7KaCRv9DGMdXTnQH/SYCZo1MGM4rmnQ HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
Lzw8WCtlKyEc4U/mQbZqXCh1IfEcBBHnQiHJYCVy/fEs4BenQAqVXCd9nhE834snQFsxWCdwPLEsjXEnQNSYXCl2NsD83HNnQYRpYC9NFdD8u9AnQwMoYClfAWDsSitmQ2CwZCFO/XDMVtMnQr2/VC10f1EsggEnQamiYCdwAdEsY68mQa6gWCpvBJEsezzmQ6E2VC9j6NEso9MnQ39nWCtkVTDcwWLnQOjoXC5orvD8RAenQpYmaCtP8NDc62FnQDLvZCR26dDcCCdnQ HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
LHJdZCx3NeEc4/gnQY9CaCNyqeE8RX2nQuYqZC5LkKEMYVBoQX4uZCtBpxD8W55nQglkbC1h+fE88M1nQNYPcCtj0jE8+UFoQChtdC9EAnEMneEoQtTNeCVEIoEMjX3nQSoWeCdy9nEs3pMoQZxDaCl42cEcsDUnQMSrZCVzfsEcfC/nQ2Y4bCduAsEM0SqnQEH9bCR/1QE8jKvnQ+qDcCVbJWEMYjKoQdSybC9e6xEclBJoQ HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
LAZTZChIPNEcthLoQTi+YClgK2DsTbSoQWTEaCpX2TDM+fSoQxpvZC19mtCsJxSoQ1HKbC9FOeD8dOWoQqhtYCVmNCEcV/doQW2UXC9JjMEcwBgoQrJeWCJw2LEMrMZoQgBIXCt/pUEsCxooQ8rPZC1jicEcXdOoQ7JEYCVwznDM/VPoQtUeZCNM6NE87OgoQj70YCRhLpDcYUjoQ HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
L23TLCVyXQD0BR9lQ23TMCVyXQD0BR9lQ23TLCVyXwD0BR9lQ HKH_2021_1IRA_run_1_complex.684_chain_B_0_0000400004_0000001_0
SCORE:  -1421.052  -2710.763    305.920   1744.480               -150.826                 50.224                106.122    910.591       -992.813            -5.708                 -38.244   -923.099         -149.352        -81.799       -240.877       -118.777     -68.011       -6.221                   37.633      6.487        39.440       230.341        431.417   -113.297      73.428   -101.507       0.000         51.137        293.024   6832.000 HKH_2021_1IRA_run_1_complex.983_chain_B_18_0000200002_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.983_chain_B_18_0000200002_0000001_0
FOLD_TREE  EDGE 457 198 2  EDGE 198 1 -1  EDGE 198 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_1_complex.983_chain_B_18_0000200002_0000001_0
RT -0.377456 -0.285372 0.880959 -0.471611 0.877955 0.0823318 -0.796938 -0.384394 -0.465974 -28.8943 -26.3426 -30.1163   HKH_2021_1IRA_run_1_complex.983_chain_B_18_0000200002_0000001_0
RT -0.233579 -0.68045 0.694571 0.933663 -0.356421 -0.0351909 0.271505 0.640275 0.718563 -12.8902 -1.76012 -9.31748   HKH_2021_1IRA_run_1_complex.983_chain_B_18_0000200002_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTH[HIS_D]GIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_1_complex.983_chain_B_18_0000200002_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_run_1_complex.983_chain_B_18_0000200002_0000001_0
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L4XXECBvUhGU7iflQ4XXFCBvUhGU7iflQ4XXECBvUpGU7iflQ HKH_2021_1IRA_run_1_complex.983_chain_B_18_0000200002_0000001_0
SCORE:  -1469.252  -2647.008    281.925   1715.538               -151.350                 49.370                106.380    895.081       -975.898            -5.997                 -38.508   -933.066         -151.126        -81.637       -236.693       -117.135     -64.805       -5.972                   30.237      6.180        33.690       222.502        421.955   -112.900      73.883   -101.507       0.000         48.067        269.543  10084.000 HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
FOLD_TREE  EDGE 457 198 2  EDGE 198 1 -1  EDGE 198 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
RT -0.36726 0.761824 0.533614 -0.392411 -0.647057 0.653705 0.843287 0.0306836 0.536587 -42.3801 -13.4022 -22.7248   HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
RT -0.213576 -0.726044 0.65364 0.949348 -0.312102 -0.0364747 0.230484 0.612742 0.755926 -10.6942 -2.89413 -9.42786   HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTHGIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
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LhGXOC9GWxGURwbmQfBbPCdnM5G0RYdmQS5eQC5dk3GEZUMmQhHeRCpec9G0KkLmQ7pCQCVjL4GkULzmQhjoQCheYtGUrK2mQp8FQChEelGUzatmQvNtRClWnsG0L5BnQHmeOCVBNqG0aUjmQoOAPCZMLBHkQWbmQt9yQCFKW+GUHs1mQJVSPCtkI5GUJ4+mQ+iISCh1elGkkKEnQZ4GSC1/OzGkOUInQ HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
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LjiSJCBRYiGEQOXkQCA+IC15ntGU6UakQlQPICp2FyGUJ/GkQxYqHCJ6w6GE8FIkQAIPKCF9V0GErCekQqiFLCVHezGUVlLkQDr+KCtMfwGUf6xkQ7qFKCVTZgGEOFOkQpWUIC9mbuGUHQokQs+8JChdt8G08LgkQ1XvLCJ2H5G095LkQ+P3LCZWV1G0KT0kQzxUKCh7RxGURo/kQ7QRLCl5IoG0XAwkQ HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
LN3QICh6JsG0/N1jQe3oHChuyvGkyehjQteKGCRA9sGUSmgjQmTyFCBDfjGUYBijQnkVICle9qGkFFOjQEtwJChomuG0pnKjQJPWKCxxcpGkEj2iQNuyLCVb7sGUSwyiQ+EYMClOxnGkKVfiQa1vICRiGlGEyh1jQs5tHCx1f4GU3sgjQr4VICJnSiGkAkPjQAexHChXAtG0wv/iQNZxJCZIS3G0bzIjQmcXKCNBgsGE9fYjQk4TKCJ0wgGUAH4iQtsvJCF+wrG0DtoiQsl0LCdNl1GEyuwiQFOZMCpswqGk1oAjQ9FVNCNPRqGk1WdiQOYXMCB1ufGE6FhiQIO1LCBqzpGU9USiQ HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
LvRWFCNrQ1GUVudjQNu5DC9HR0GEO4cjQI0QDC5x+5GEKVKjQsUxDCZX4BH0v/BjQXhPDCJV54G0u+wjQr2oDCZUtzGkA2EkQ3+pECdO33Gk+4QkQ1/ADCFtkqGk8nLkQX7CFCJlAzG0KUjkQUlaDCJWrlGkIHekQ9YbEC5o6pGU14pkQM2wFClEw8GkmAdjQzVqDCpK6rGUdcbjQx3eDCtvYBHkuJyjQIKKCCxPP4GkWYvjQCwKFCRPH/Gk7gLkQK/MCCVQPnGkwECkQhV3FCVga2G0OoskQkh7CCNMZeGUMZjkQzlvECF9DmGEWX4kQ HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
LENHCCdSO2GkL+DjQUoVBCF1K8G06r0iQlSZACV3kCHEcgCjQJZx/Bd8b+GkJfSjQNwlACNl10GkDPmiQEQdBCBQXuGUnbYiQZ+1BCp0dkGUQhfiQhM3BCRBEyGkCqEiQ1UnCCNsNeG0yFTiQt+pCC14srG0EE4hQx1BDC9FxhGE9S/hQxRzDCNiNbGUR1yhQw6uBCJLYvGUwbKjQZF+BClolBH0IgriQ33AAClagvGE6HwiQUT0/BhGa5GEjUciQmwgBCVekhG0eHviQZijBClC95G0vC/hQ974CCNidWG06lYiQFr+CCptduGEldohQjXBECZkyeGUUrlhQ HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
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LCJm6BV3fWH0cp0iQtY84BFUXbHEm1jiQv6X2BJVugHETJriQ3il0BFKkbHER8ziQy7P4BBD1SHUzATiQXJT2BpKbWHEWJBiQ5Sd3Bhv5eHE0GyhQrlh5BhWHdHE11nhQ15H2BxCKoH0/swhQbr95B5ZnPH03F8iQUuJ6Bh3ehH0OCciQpOF6B1RCQH0eaLiQCSW3BlZ/LHU7AbiQ9T01BpCcPHk4g3hQwsd0B5inZHkCJIiQD+x2Blh9tHUR/mhQ8yY0Bd9XpHEfd5hQ HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
L6BK2BxZFrHUD7miQdezzBhUMxHk/TtiQj2UxBpMptH0RAhiQ0qcxBpwNsHE2ZNiQn9O0BBCJ9HE9dpiQvUByBNB/BIUQNyiQ8/fyBZWxHI0+RwiQLEp0B5jXJI0RAqiQphqwBpUqKIk430iQ23r3BRH3uHE1efiQvSczB1Q9vHk3Q+iQ2AF2BZxu/H0rMwiQdjV0B5Qn+HUoVYiQ5ALwBVwEBIU6tpiQtouxBBf9AIk7CDjQ HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
LW5EvBxElsH0UcsiQRNgsBxB4pHUZpiiQXqvrBl3lxHkorQiQh9wqBRsCuHkODAiQEaVrB5HC7H0YVViQKWOqBZ2ypHkBKziQgaGqBds6fHErMCjQ8oerBplJYHE5x+iQyVgoBd8OgHkIBRjQQRMvBNbqtHEvr8iQtwqsB5a4hHkJ0biQYUaqBhY6wHkHL9iQkoUoBhObqHkWwqiQ HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
LsKTFCxn3sGEpjalQsKTGCxn3sGEpjalQsKTFCxn30GEpjalQ HKH_2021_1IRA_run_2_complex.253_chain_B_21_0000100001_0000001_0
SCORE:  -1441.806  -2715.047    303.567   1757.793               -154.438                 51.525                110.312    915.414       -997.834            -5.534                 -35.828   -932.913         -147.909        -82.241       -241.487       -120.069     -60.287       -6.460                   40.071      7.662        37.221       230.948        415.590   -117.043      75.844   -101.507       0.000         47.357        283.489  11757.000 HKH_2021_1IRA_run_2_complex.499_chain_B_2_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.499_chain_B_2_0000100001_0000001_0
FOLD_TREE  EDGE 457 198 2  EDGE 198 1 -1  EDGE 198 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_2_complex.499_chain_B_2_0000100001_0000001_0
RT 0.0708618 0.82849 0.555502 -0.356304 -0.499138 0.789879 0.931679 -0.2539 0.259824 -14.6468 -36.8877 -20.4169   HKH_2021_1IRA_run_2_complex.499_chain_B_2_0000100001_0000001_0
RT -0.247215 -0.89158 0.379433 0.956724 -0.286636 -0.050185 0.153503 0.350607 0.923857 -7.83698 -1.86603 -11.2592   HKH_2021_1IRA_run_2_complex.499_chain_B_2_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTH[HIS_D]GIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_2_complex.499_chain_B_2_0000100001_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_run_2_complex.499_chain_B_2_0000100001_0000001_0
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LfEyBCFv1JHERxliQRmJBCld2RHkh0XiQsHcBClPedHEpUdiQe0KBCtfHhH0qHviQaeQ/BlVFQHUtoXiQIem9BRwiYH0sRLiQqND+BJ8YYHUhCzhQFbr9BRVIQHkHkohQe41+BR7jhH0YDqhQcIcBCt10IHUmJ1iQ1ChBCBlfQHULoHiQNs0+Bh6SIHkIpQiQy4h+Btu7PHEXFoiQHrf7BVD4WHEsEOiQgGE+B5TjgH0UIRiQRYJ/BpL+hH0OOahQYsH/B1hWoHk3UzhQ HKH_2021_1IRA_run_2_complex.499_chain_B_2_0000100001_0000001_0
LpW9BC9oWjHU9qNiQMJSCC1OquHkkfQiQfpBBCtXe1HUCfSiQG4EACtLD0H0LEGiQ+GGDCFl2yHkci9hQc2oDCxu99HEk6AiQkRhECBH4AIE6kvhQAo2ECRPp7HU6khhQHD2ECZ2gFIUpHwhQQ0JCC5JzfH0Rd/hQfs3CC1tnvH0uAfiQjL5DCpKntHUet5hQqwcCC9CNzHEDjvhQzyzCCRjyBI0rNCiQr4LECtgG+HkrDQiQ HKH_2021_1IRA_run_2_complex.499_chain_B_2_0000100001_0000001_0
L4/CBC95H9HEDehiQtp5/B50YCIUwIkiQ29S/B9YcFIkuhPiQaI98BN/PGIUEWKiQNUhACxCbIIkwTIiQ53PACZieGIkL41iQH5FACB0cEI0MLNjQ/wI/B9BMAIUbzQjQHieAC93YHIkIgbjQrN3BC5ah9HESYriQdPH+BZUKAIUQooiQArRBCty3HIEK8ziQJ3M/BF67JIkDuziQ HKH_2021_1IRA_run_2_complex.499_chain_B_2_0000100001_0000001_0
LEqSIC50IkG0JeDlQEqSJC50IkG0JeDlQEqSIC50IsG0JeDlQ HKH_2021_1IRA_run_2_complex.499_chain_B_2_0000100001_0000001_0
SCORE:  -1499.808  -2638.741    273.364   1691.433               -152.932                 48.560                107.753    885.015       -967.089            -6.141                 -37.445   -933.443         -148.969        -78.931       -241.491       -107.947     -69.592       -6.431                   28.107      5.020        34.948       223.801        419.497   -114.321      74.382   -101.507       0.000         45.646        267.649  16872.000 HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
FOLD_TREE  EDGE 457 198 2  EDGE 198 1 -1  EDGE 198 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
RT 0.27697 -0.958403 0.0689295 0.909562 0.238373 -0.340404 0.309813 0.156977 0.937749 -10.9003 -5.01497 -24.694   HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
RT -0.193774 -0.79629 0.573039 0.953459 -0.290404 -0.08113 0.231016 0.530648 0.815502 -10.1417 -3.36719 -11.57   HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTHGIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
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LxNNHClZQrDkSEQiQ2MZHC1tZ9CETIOiQ66tHChUrsCkFGkiQjLsICB8S6CELEuiQ4nfIC1BUxCkhH+hQ0XFICZSQDDUGOohQwUsICdIP+BkRv9hQxgHJChIY/C0M0WhQoFAIC5ds+DkOTSiQDsdGCpfkuCEeyIiQBVbJCN+pADEvsCiQZELHCViczC0xdjhQ9T3HCN0OlD0nEqhQC6dJCtJosBkrdyhQP9+ICxQTnB0sjNiQh+wHCxWpfBUOG5hQtJuIC9AjNDU/LIhQ3XBKC5PZQDknkbhQeoWJC9dCeCk63ThQ HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
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LdQ/ICZa3j8bIYjjQEbpICVql6+7j51jQRzUJCJ0vzAcdH0jQJl5JCRjZJBsAgjjQ+mJHCd3RO/LAT4jQCqmGCRHhVA8uVnjQ00BJCNkFG+rzSUjQJpBJCRdS39b5QEkQhA7GChKUHAc3UHkQT/rGCRGmf8b384jQ3ZoFCVYvUA8pxpjQ HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
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LP2SAChDgUIUbSzkQLiE/BhOiPIEk1zkQqHd9BF1xOI0SYfkQMCd8BJMaKIErMbkQhAJ9BFSaPIU9CHlQnTS7BFCxTIUzNFlQCZr+BBl3PIU5KclQdfo/BNr+XIEqh2kQErOACdqLMIU5R1kQiBC8BNgpLIUM1GlQfhx5BtdETIUAXOlQOHS9B5tvPI04ZplQZUBAChWjMIE1adlQqxy/B1CnTIkboclQ HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
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L3TP8BFfeMI0qgijQS1j9BBn5JIkBgQjQwP07BVg0IIkiR9iQiHb5B9CwHI0qs+iQA/s+BJ0bEIUK0WjQFeXACdAlEI0EinjQe4AAC5jvDI0ia8jQ46rBChBlFI0nqijQx38ACFt4DIUGJMkQP9nCC5cvFIULhyjQCUQCCt54EIE/PHkQFgi6BNhyKIkquojQiTK/BVUeMIE2RLjQdvE9B5L3BIETLcjQ9qk/Bl3kCIUGrIjQAs79BBY/CIEOeAkQfP+BCpPPGI0CDSjQ5dpACVKPDIEOrckQBRqDCdvjGIEUrujQNb/CC1TBFIkvyTkQ HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
L0yD9B1+uIIEG7qiQ/bs7BRp6GI0MDYiQS9U8BF4BBI0veXiQpvj+BFZ4+HEeMdiQnNt8Bp1sJIk5lEiQjwC8BtXbPIkO3DiQTB39B9qFTIUkeLiQLgo5BtWGRIUsc7hQA2R9B1zYYIUkjKiQ3eD5BV0cWI0np6hQgC46Bh1FaIEbMCiQX+U6BVGefIUJVBiQPsB/Bh4xJIkmBqiQEji5B5kdHIEWoZiQFS2+BJeUJIEAlEiQ4/67BtSxHIEnZ2hQWex/B14vRI0rCSiQASM4BBAMOIE4b1hQ7Os+BJcPbI0KJQiQe9K3BBOzXIEyA0hQjZo4Bd2BgIUUd6hQ HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
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Lpw56B9uhpHURNshQ/Jt5B9zWmHk7tXhQw/R6BBi/aH0SgQhQ0Gl8BhbFYH0/dMhQwln6BBmHuHkQGGhQIQs5BVUUrHEmIvgQMqq2BFWTsHUi3rgQEMh1BNJ80H0G3ugQmkX1BJfejHECqlgQ7u78BBEiqHUtlthQPyi3BRiGnH0YTZhQHx55BJ0I2H0A1JhQlpy8B1TbuHUI9FhQiup6Bpx3wHUvKkgQnFS6B15JjHEMErgQf+YzBBNsjHk+IjgQyQZ2BFfYcHknLjgQ HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
LfML4BRFnUH0rTOhQxLf4BN5fJH0pmHhQn5Y5BFgDJHkbSwgQq5T4BVg5OH0LxigQwc21BNbWDHE47JhQvrG2BlWS3G0G8GhQGchzBhGdxG0DfKhQWvixBhSp2GEjUOhQ6ThzBxqsnGEs8JhQtLV2BZeeXHUYvRhQjy/5BtvpFHEycRhQlC+0BFV2EH0LOZhQVuc0BVeNGH0K69gQZpy2Bhzm1GUCu2gQCan3BdZS0GU1EShQ HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
LwvT7Bdy/BHkyprgQuyQ8BxfMAHku0VgQ5VA6BJhr8G0z9GgQjD95BNW6/GUWtofQFK64B5AJ0GUhPLgQFue+Btdr3GUnFVgQ+epACZES7GEIycgQ2C5AC1ioEH0G3fgQlFgBCt8W0G0Y2egQ0lI8B9dw9G0GC4gQksE9BZHtHHUXyPgQBX39BRR8wGkfEfgQ3Bq+B1Ns0GU6yEgQ HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
Lps2FCJTVvGEa4AlQps2GCJTVvGEa4AlQps2FCJTV3GEa4AlQ HKH_2021_1IRA_run_1_complex.241_chain_B_17_0000100001_0000001_0
SCORE:  -1462.793  -2704.388    296.251   1738.645               -149.732                 48.247                105.340    906.407       -990.367            -5.949                 -36.226   -934.931         -142.994        -77.542       -236.629       -128.135     -64.335       -6.536                   36.080      8.013        36.019       223.937        420.442   -113.548      75.041   -101.507       0.000         54.472        281.132   9808.000 HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
FOLD_TREE  EDGE 457 198 2  EDGE 198 1 -1  EDGE 198 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
RT -0.370877 -0.491568 0.787916 0.928673 -0.192586 0.316982 -0.00407644 0.849277 0.527931 -34.2631 -1.45258 -34.8806   HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
RT 0.0227515 -0.632103 0.77455 0.966827 -0.18325 -0.177948 0.254418 0.752904 0.606965 -10.3066 -2.0736 -10.3978   HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGH[HIS_D]YYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTHGIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
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LP6wFC1utIIkNc5hQ7R+GCFDlFIUKB9hQKOnGCloGAIkcEGiQbZLHCxRG4HUKi/hQdP7HCldlII0KIMiQLtKJC1/KFIUvCRiQo0TIC5U4NIUhnBiQOvUFC1XoKIk4vFiQ2neHC5mAFIU6tthQsxaHCR4WJIEkPbiQy20JCdDXHIkFzbiQpx4IC1AbBIEJhYiQndsJChRUEIEDLCiQgO+IC5EIQIkFIMiQHK0ICVSFNIU9gyhQ7oaHCNMOQIUyg+hQ HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
LjntFCliGAIkQzViQZmPFCFYo2HE4zgiQhnuDClDa2HUureiQOSGDCFk5+HEGLeiQ80oFChwv2HEoY4iQtBIHCJwX3H0rV9iQOeCICBxSrHEfi2iQBfhHC5n4hH0HDLjQK5TFC17nDIEYGaiQOVpFCZtfvHkJEZiQZCIFChCN9H0bpAjQoRTFCZ/YvHE/C/iQGqjHC1IA+HETx0iQnQQHChX24H0NYOjQ7PBICpoOaHkKhIjQOCzHC5O+kHkgvajQqJdGCh5sgHEvhKjQ HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
LoPKDCJc3sHUPXdiQgTuBCV2UrHUbabiQFqCBC9pOqHUH9wiQvuXBCdWDjHkzP9iQjrdBCtSBhHkUgOiQkU7/BlHjeHE+qMiQPOGCCZMDiH0Nv4hQKRxDCR3TmHU4wdiQjdTBCRxLyHEx+SiQm66BC1GaaHkQyWiQl8t/BRwHXHUeuDiQD4B/BNLfdHUWgciQoN6+BxC/kHEhQEiQsi8BCJMuaH0i4vhQXepBChcsoHk7JwhQjkKDCxCcjHEwl6hQ HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
L7nCACNs9wHUiH1iQ6Yo+BNrmwHkBbJjQHKz7BBVMsHEWgHjQprg6BVmIqH0puXjQA1a+BxQy7HUrkTjQ+aC9BBjaBIEOIFjQwGlACV1FAI02rYjQmvn/BJjy2H0aeqiQPgu/BNVcrHUvbUjQDFR9BJ7L7HUgXijQr4Y8BNHdEI0dDNjQGxeAChb9DIku+fjQlgDBCh116HkjvjjQoRLBCp4aAIE4JKjQ HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
Ln+y6BtN0qHU75ziQGQE4BJ+8mHUmIxiQZn53BRh1aHEYQyiQjkN5BV7LVHE7mliQrH82B1iqqHEFtbiQt/g2BBrl2HUevZiQH3T1BNKa5HkdBEiQ6d30B5luCIkitBiQGltzBtLJEIkmbshQoT67BpCmsHkO/miQXO12BNGKqHU5D+iQfMT4BlJQoHEz/OiQq6B1BN/umHE52YiQtTK1BlMN5HEdYmiQ9xa4Bpyt6HkDvbiQeAp2BtNq2H0zU3hQ69YzB1kU1HEoSCiQCKgzBVTEEIEENOiQ+hx2BdRyEIkmnDiQJoczBVZJIIUMjrhQvI+0BNm9CI0OsghQBg7xB5nSCIUBmqhQ HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
LStN2Bpa8WHESDBjQEa31BBTfLHk0QEjQz2/yBVflHHkeoEjQRrIxBRG8MHk90LjQ+NF3BZD5HHEFnZjQtB95BRk4JHk6pbjQjv16BBFxSHURUmjQA3y7BJbHDHkLvSjQOwf9BlH3UHkzMojQEod+BtpSFHE2fUjQjUU/BR5JOH0/TfjQc1P1Bh/KcHEJFLjQIB32B9aZHHU3U3iQjmD2Bhc9LHU6rmjQJ7u2BtxW/GUwhbjQcgY5BdWTYHEyQtjQwSH7BZcC8GkuKKjQ5rH+BJd+bHEknwjQ6d5/B1jBAHUTQNjQlltACVZ2PH0DqgjQ HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
LeapyBtYw9GEeB+iQRlGwBZ0h4GEjjAjQi+SwB1bCzGUF6VjQl3SyBtcvtG0HgajQ++nvBNurwG0n0uiQPsJvBRj21Gk6/ZiQf8RxBF2H4Gk2pMiQHpksBRAW4G0V9TiQ4nzwBZ648GkfW5hQR/GsBpTH9GkTmAiQMIOuB5qZ/G0bTzhQ9nxtBtsGEHktwfhQesN0BlCn5Gkru3iQHdfuBtnZ+GkFFBjQReYxBpcurGkactiQ1Q7tBtdlrGk3ryiQxtUzB5dG2GERdRiQmn5qBN9g2G0UleiQ2ObyBt2p+GkwzuhQizEqBF+D/G0F07hQum4rBJ9nEHkOOdhQ HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
L73SuB10l0GULWjjQGhVuBVS8vGEzo4jQmhmrBt8HrG0768jQSyupBpcywG0fHDkQS3BvBBG14GUsVIkQgD0vBZli1GEzrdkQaGTyBRrVxGEijgkQxDMuBl122GEG0ukQs8LzB5HeuGkpL0kQc8CvBtIB0GU+2ClQzRlxBt1xvGEMhFlQyqtsBhaD5GEapejQwS1vBVJmpGkVW5jQICrwBVoc9GkvqBkQkEVtBpzN+G0jzJkQZYkzBhoZwGUhpSkQRhNsBV5M6GEKaskQ0oK1BdPPrG0v61kQQUutBB8H1Gk+aQlQfXTyBxZftGUMNVlQ HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
LxaUrB5CygGECe4jQLJroBVXybGkxW5jQrAYoB9ktSGE6VJkQvE4pBFf7KGkOKJkQ2v4nBNg5XGUjDjjQwIfnBN69gGEGxSjQ1xtmBdi3cGU2v8iQkgznBhrcgGUHbsiQLd2kBZrQVG0kH8iQ9t/sBlJjcG04E0jQFfPnBp46hGUt+9jQ2BcpBBplSGET5cjQ7NDmBVeRTGkIRkjQM86lBt/SmG0kgYjQObXpBJYVlGUPNRjQr8RkBhFESG0kztiQa+AkBdCjSG0ekJjQ HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
LOeXmBVWsTGUODXkQ812lBpU2LGkr4nkQzBBlBpAJBGkekekQqUajBJV4AGkZlPkQsQrjB9l6PGUdA3kQpPSjBx4MJG0q5KlQKhRhBVR4NGEL0ZlQLaOgBduPWGUJ/UlQpVxgB9xHJGUxJqlQyWMlB9HRaG0iHWkQ9xqnBFoqKGEJJxkQYJGkBti8XG0Z57kQcrxhBp+CQGUChukQnLniBB0NBG0TVGlQuTNlBxDaIGURETlQ HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
LD0FmBlZ2wF0plnkQtgVlBxxHbFErNhkQSoTiBp12XFUsghkQQcPhB1oYNF0bJTkQGaLhBJg3YFkw/ykQlCnmBp9IKFUG3vkQxSopBZAGFFkrHskQf7wqBRHlLFU7NckQPRwqBRXC6E07m5kQCpfnBlr+yFkXXzkQsqCmBVAfYF0P7QkQh0YmBJBaPFkAbAlQ5UflBdXS7E0ZSukQ HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
LGf5ECFOtnG0x9RlQGf5FCFOtnG0x9RlQGf5ECFOtvG0x9RlQ HKH_2021_1IRA_run_2_complex.206_chain_B_3_0000300003_0000001_0
SCORE:  -1485.354  -2651.218    285.104   1698.810               -150.921                 48.610                105.984    894.952       -972.861            -5.287                 -33.437   -944.299         -147.044        -79.061       -238.588       -119.119     -77.626       -6.166                   32.786      6.563        36.553       228.738        419.435   -113.649      74.158   -101.507       0.000         48.814        274.922   7022.000 HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
FOLD_TREE  EDGE 457 198 2  EDGE 198 1 -1  EDGE 198 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
RT -0.726984 -0.496322 -0.474508 0.0564399 0.645514 -0.76166 0.68433 -0.580496 -0.441267 -16.762 -27.5006 0.251486   HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
RT -0.208129 -0.778566 0.592045 0.956626 -0.288178 -0.042673 0.203838 0.557484 0.804774 -7.84753 -3.0921 -13.3714   HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTH[HIS_D]GIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
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LWnwrBhdq8DE7BWbQF2+qB5iNUEU/FhbQtkErBhw1XE0RMRcQ1VApBF9VaEU+AmcQeqLoBFaHZE0KIQbQ9K9nBJ4GZEkfbfaQnUGlBl/8dE0BERaQ7b2kBNPAeE0GXgZQwZDiBZ3UiEkMJSZQiIVqBBlemDEzYQbQYaZsBRbRfEkAZSbQQZxmBtiZNEUIscbQDdjnB5hzoEk/lbbQrOTpBRtLlEU9USaQtajoBFqjJE0VCTaQ65vjBRe6REE6LeaQd+fkBFnktEETRdaQ1PKmBFdSqEEvQTZQWLelBtwdOEEiCUZQ2O+hBpFOiEEc0xYQ0m0gBlm5WEEB0dZQnkdhBhaywEUjDdZQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
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L6JZvBJJ72EE9H/dQtr8wBN1iJF0xYNeQK4A0BV+HGFEthMeQbPe1B5frUFUfNAeQXA8vBhqHQFkTx5eQFEVxBFsejFkNEPfQIH/vBlPPpF0+86fQdnZxBBE+7FkqhIgQpFKwB565AGEXEegQ1m9tBRMhwEEfvSeQP5gwBJgqWFk0e3dQZS1tB1eYUFU962eQlx/vBx0kCFUFQOfQjEczBpBsfFUjjUfQoWOxBdAPxF0st5eQ605tBpBmtF0Mg1fQlQBwB9FpbFE3HIgQtxfzB5W63F0M+KgQGvRxBlK7EG0sD8fQWNKxBJnMHGkxLkgQLXOuBBl8CGkD7bgQ+qQwB1eR1FUXPpgQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
L2X70BtxGzE0ObaeQPwv3BF4rrEkiebeQZ6u5B1oc3EEwK5eQ2gr6BFqCJFk6kveQq/64BNJDrE0O9tdQWEr3BB2FaEUAePdQNjW4BlB1CEkelbdQFoO6BNmb/D0T2ydQ56C3Bx72oDEaCMdQ5TizBFepoE0fyjeQaGt3B1wHbEEipmeQNHt4B9km6E0+xedQMsD7BRtvnEkGBwdQhtg1BN8BcE0kxPdQlJX4B9pPdEE2DvcQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
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LDTtCCt1lWEEDDqgQXZbDC55xbEkuh9gQuR6EC5AyXEUX65gQWvSFCNhVLEkn5rgQVg3CChNYPEUDlQhQrEZBCV2nUEkoPVhQIlLBC5X0rE0S3bhQbpJCCxuz1EUHRihQcNEACxaszE0UQahQKjbCCNfBHEE9dngQPQTDCN0wsEUy1AhQwU8CCFZf8DULfNhQH2cDCZF2SEEV7ehQqB0AC5oeREkf4GhQ8tBBCV8FKEkF5hhQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
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LAeRHClBCNEkkKkhQt/7HCBVFCEUg41hQmkhHChm6VDEXK4hQgwWGCl8hKDU+B2hQ+wwHC5yjNEUgVLiQCbkICNLuBEkPNdiQFbUGCZgbOEUEBRiQrHyICR19NE0wExiQ6HRGCtLdMEEvkihQRZAJCBgFCE0tlyhQRELIClDXdE0X4JiQsRBIC5VqmDE9yhiQ9DjJCpwb6DUdIXiQPSMGCF22WE088fiQg1wFCp1nWEE3oEiQfR7FC9s78DEnpSiQwdVJCpt/DEUEQ8iQ4mWJClr6bEkHXtiQtx2HC9YpSEUsO4iQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
LXChICZS27CkP48hQy7WICNFqOCUHhAiQzzNICJ1SGCEeUYiQYAHJCJRuRCU9okiQruoJCRtZuBUKB5hQ5U4JCRXK9Bk01ghQzpgJCFvcQA06v9hQQaQLCh1EjBE63YhQPRcJCdxiIDE3F+hQ0LeHC90HDCkwM4hQ8rfKC1p5DCE5nBiQ9tKJCVHCYBkTCYhQPxuJCZJSgCU/MdhQouZKCFK8h/T9y4hQDhXJCFA/EAkXxOiQ+uqICBpjv/DE60hQehULCJkxvBULwHhQJKBMC9tJECkkNhhQovbLC5yjfAkglbhQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
LDOJHCJVUiBkXGfiQK6DHChl9OBkp51iQJSzHCpZs5/zre6iQqSgHCxAVm9zDTxiQFQnFC1bQMB0EG+iQleZFCpvIqAEzFWjQn8JGCdeNdBkmymjQON6DC9MnzAUSgbjQkPaGC977QBU1bUiQM2jHC9BHBCEql+iQZLMFCVDAGC0m+8iQTyCFCtgjiAEjfziQ9itFCVKPP/TJDXjQWA8FClvFCBUBb2jQe5NHCNA4ZBkTGkjQSJ2FC1RCPC0ijmjQCAuDCVj9bAkmqrjQwioDCplH3BUglajQUmUDCFwkQAEUdQjQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
L+ZzICRN6DAk7YIjQcUqJCpCAy9zgyNjQxrTJCNqXt6DuRjjQj6PJC5tmF+TedzjQwrILC9oJw+DjyOjQAqAMCt2Ii4DwoUjQ3DkLCBrv+/TD05iQ1i+ICF3r9A0iKPjQiWjJCdQTC5DPhBjQnTQLCRwaHAElXbjQ7JBNCt2Iq7jyeVjQFpuLCh3VE6787jjQfs5LCBp5a8b5SIjQqsmMC1UUTAEEA7iQNwdLCRLek+jKhtiQMR8KC9y42A0iM2iQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
LU7IJCV8J59LuOjjQvg2ICZrXd/r4m2jQGweJCJY1GBshD1jQbYCKCN6ieBsPekjQE+XHCp0hp/7jJ7jQ2QtGCFhzlAMPAsjQhENJCBij5+bnsUjQP8TJCtefb+rCIEkQaGOHClHpQAMH8KkQIf8GCJJjS97vg7jQoGzFChySqAMIuxjQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
L2GdJCZed2Bs8fGkQXUEKCtTTlCstlGkQFGVJClkaHDcEm5jQZTGICpKJKDcNN5jQGWOKCJV90CcnXdkQIBHLCF49aCclGpkQUG/ICtW1hBsb2TkQAMELCxT7hCcx4/jQMaQJCJy60CcoAlkQ4UlKCJr+VDM3OdkQ8HPLCdggpCMIk2kQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
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LjwaDCJgTwHkzL3kQJ+zDCxLJ7HUItxkQzNUFCZho8HEuuzkQpq5FCNSb6HEvuElQy/EDC5ZkBIUBz/kQ2BlBCNYvBIkQl8kQxB8ACFV7FIUSGLlQt11+BZeIGIkCLIlQmSk9B5PLKIEleWlQKJIDCpJcuHEoKGlQgAjDC5Pr8HEhAhkQdrRDCNyrAI0BgQlQBQdDCZujFIULW8kQLWXBCFDuCIEA7rkQ9zJBCNwp7HEGGAlQ2iKBCdH/EI0pwblQgzWBCNq2JIkVaHlQEEZ+B5YJHIEan3kQhMA+BZKNCIUxuLlQYWk7BN1LKIkoCUlQXw89BxDQJI086llQX9T+BR61NIEsLTlQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
L7q6FC9iWAIkPZikQqhWHCxQUBIE/5gkQLXwHC1ytGIEqcYkQe2CHCxnVJI03dMkQhlCICRnu6Hks0RkQnz8HCt/jvH0zvXkQeN8GCJKdpHkIxPkQ/33IC5l9qH0APlkQgs1GCBEAfH004UkQ4LxIC1HagHEVfqkQO2vHCR+WaHEBNikQCJWFCltDBI0cDVkQTywHCJN+AIkluwkQignHCJ0p7HU32BkQscGJCB+z8HE5qQkQCrMGCF8GtHURJFkQp8rJCFgzvH0enrkQBqBGCpLgaHEpUOkQMLfJCdX0cHkyJ1kQjNqHC9A+RHEZQmkQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
Ltl8ICNMUIIkI9dkQ6AjJCZM7MI0//TkQemiKCFqoKIEv+DkQ7tJLCRhdGI0hLIkQ0yOKC1cTQIEVLkkQ/nWJCVxTTIk8tzkQiw5ICNj3QIkOTGlQ7bDJCF3oYIUM0vkQ47JICxkzTI02rUlQZuTICB3gbIUQP+kQEG3HCBMHZIEumQlQGHIHCtP+bIkLSflQekfJCh/HGIktqokQpBzICZUQPI0BcLkQt31KClbnNI0ePtkQyF4KCZCITIU1DckQPfJJClzrMIkBoJlQPpaJCRYkaI0JThkQGezHCJCBSI0XTjlQqRFICV0rfIkuJ7kQikCHCBXnfIUzmalQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
LZUtKCJBPNIk/nxjQCGpLCNUHLIEh0hjQHXQMCBz0PI01hVjQ1BoLClhPSIUZVHjQKw2KClPPHIEeuTjQJ+mLClcgDIkrTGjQ+BMMCN7S+H0tYPjQVDsLCdrIEIU1IxiQn01MCRP52HU9ODjQlZUMCNhgAI0snkiQd65MCpnM4HkS0tiQClMKCBYpQIkDtujQPacMClT+IIkA/pjQtvNKCJl1EIk8BejQ4rMKCJ9fJIExbJjQ9wGMCZWV9H06igjQmHPLCtUiHIkyUqiQtsSNCdj/vHEeqKjQXeWMCBRJBIU8dTiQ9jaNCd1TyHU/JkiQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
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LnjaPC9GQXIkWmziQIOkQC5rpWIkGbliQJAxRC5ivZI0wAuiQJxnRCNyYeI03j0iQU7OQCxXqYI0e8OiQkKTRCB8eXIUXY+hQyf5QC9nEZIEGZohQp6xPC50waIU3klhQEstRCVTqYI0dOahQWKlOCF+GZIUzOuiQ1a1QC9BdSIk4XkiQzsTPCV2BXIkQkJiQqHHQCZ9+cIUOePiQTrNSCZLoZIUhiCiQJPhRCF0MTIUgu+hQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
Lfi8SC5QOXIELZtiQrRMUCJF0ZI0ZB0iQBbcUCxf+eI0RoniQEZ7UCx23iI0g4wiQwzmUC5AjeIE8MUiQMWaVCF/IWIUG+wiQKvmVCJulRIUJuBjQXu7UCx2aRIUr0RjQb5fWCRqWOIUpM+iQBr9SC50VTIkgIoiQ8BHUC1xzaIkr8EjQKVVVCFiQUIEfPhiQUBUWC5TlYIU9xwiQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
L0ieICpN4qGkTyskQ0ieJCpN4qGkTyskQ0ieICpN4yGkTyskQ HKH_2021_1IRA_run_2_complex.434_chain_B_19_0000100001_0000001_0
SCORE:  -1484.090  -2645.332    277.159   1695.794               -151.583                 48.336                106.874    899.387       -970.156            -5.803                 -36.263   -932.067         -149.321        -77.906       -237.222       -115.345     -71.273       -6.319                   24.599      5.769        32.643       225.401        425.230   -113.318      75.109   -101.507       0.000         49.446        263.580  11034.000 HKH_2021_1IRA_run_1_complex.85_chain_B_6_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.85_chain_B_6_0000100001_0000001_0
FOLD_TREE  EDGE 457 198 2  EDGE 198 1 -1  EDGE 198 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_1_complex.85_chain_B_6_0000100001_0000001_0
RT -0.414591 0.287299 0.863466 0.567556 -0.660065 0.492132 0.711333 0.694099 0.110599 -37.7202 -12.3353 -17.8002   HKH_2021_1IRA_run_1_complex.85_chain_B_6_0000100001_0000001_0
RT -0.132019 -0.714037 0.687548 0.956172 -0.274616 -0.101597 0.261355 0.644002 0.718996 -9.8474 -3.07179 -12.004   HKH_2021_1IRA_run_1_complex.85_chain_B_6_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTHGIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_1_complex.85_chain_B_6_0000100001_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_run_1_complex.85_chain_B_6_0000100001_0000001_0
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LWm5ICFLYFG0lTSiQ8enHChtXHGU4uHiQVkEHCh3bSGUHoLiQGr5GC1JqVG0r7diQXUiGCtzk+FUoAPiQIaKFCx2+BGU5eFiQUc6GCtG5oFUvvHiQ6X8IChx6CGU05hiQrAxHCdXZGGksj2hQKZcGCxI9+FkkfgiQQgcECNyI4F0zHLiQWm0EChA2JG0JyKiQZ7MFChOyBGE3H0hQqZJGCpY9dFUZ3MiQa3/GCpegoF0qd2hQag2HCFJukFk13OiQ HKH_2021_1IRA_run_1_complex.85_chain_B_6_0000100001_0000001_0
LTIvGC10CYGkeN6hQW6KGCtbziGk8a7hQ9UrEC1jMjGEpL2hQd2AEC5qKrGUY06hQUa4GCd7bqG0S5rhQsJvGCxWfmG0daWhQuMVICBxarGUTexhQGC7GCl26UGkbkrhQT6TGCh9zlGUVnLiQCeaGCBMTyG058shQoB9GCRKJsG0QgMhQ4MzICJX7wGkNnmhQw6ZICB9euGUVbBiQ/f0IC1mpjGEkgwhQ HKH_2021_1IRA_run_1_complex.85_chain_B_6_0000100001_0000001_0
LNwJECRouaG0ASshQuVwCC94VaGkPmlhQKD5BCVQpUGEwK2hQFTCCCxUBLGEfp5hQuErCCljAVGEkuPhQRYXDCZ+obG0MU+gQcWVDCpNSWGkwcogQoBFEChzFdGE73XgQNDIECB94XG0zZCgQzfvECdMcUGEE8ohQIzYCCFPgiG0kIkhQ9WJDC5lKNGUjaQhQ+1oBC5c2TG0WTLhQ+l3CChXZjGUfQ9gQvxZECREBdGUt6ChQgYzDCFIbOG0idpgQaCTCCBfQVGUJWjgQp5kDCNXykGErYWgQjUGFCRCbeGUvadgQJFoECFlqcGU7KwfQfimEC1ezQG0kiDgQmGMDCxCsWG0835fQ HKH_2021_1IRA_run_1_complex.85_chain_B_6_0000100001_0000001_0
LFl/AC5dvaGk8BAiQkKJACZUFXGUzkRiQBRV9BtlaYG0fkNiQ+tc8BZZ9eGUOpAiQPPeACV2CdG0wGmiQ790BCBOIbGkERtiQVR2CCxS3hGkJdniQtxGCCxZZSGUSi5iQ5gHECBzzfG0Y2tiQSiYDCpNUQGULu/iQKPYEChyAXG0v25iQuQ9ACV6miGEAg7hQkjVAC19kOG0hHUiQhKVACJpmlG0UwjiQf8k/Bx7ZaGkQlyiQo6oCC9d3oGkdediQWBTBChvJNGE3H+iQPI7ECFMJlG0MJpiQZinDCBOTJGEIUJjQ5AZFCJVSVG0um+iQ HKH_2021_1IRA_run_1_complex.85_chain_B_6_0000100001_0000001_0
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Ld1WrB9dh+GEOpGjQHP0pBBeoDHE7tXjQg8onBJAT8Gk8fgjQUhKmBt7Y3GEuFUjQSYhoBJw9NHU9sPjQj/KnBBPcUH0cOhjQwR9lBVlmeH0PlZjQv9FmBNr1gHEU1GjQJc6kBF5UkHklwmjQ8RQrB1PoBH0Ov3iQ6sJrBdmtFHEPrkjQ8WAqBNC9SHEyKIjQ5LBnBZNDMHEBuDjQEPllBRmrPHUXZojQLRpoBNsIWHUGqtjQ HKH_2021_1IRA_run_1_complex.85_chain_B_6_0000100001_0000001_0
LtZYnB9EB8GUmz1jQnVTlBZA51Gkz4AkQTwhiBtHr3G0QS3jQX+/gB5OAwGUcR1jQAbjhBpipAH0+h5jQXXKlBZy04Gk7zYkQFzanBN6Q0GkWNnkQyL8oBBJqtG0yAgkQhdhnBZ4V3GkC25kQDKvoB14PAHUCs+jQdcylBdJbtGEhd/jQltNlBJDiBH00NakQJyPjBdSM2GUyMfkQ HKH_2021_1IRA_run_1_complex.85_chain_B_6_0000100001_0000001_0
LXW7FCZrqsGkZ24kQXW7GCZrqsGkZ24kQXW7FCZrq0GkZ24kQ HKH_2021_1IRA_run_1_complex.85_chain_B_6_0000100001_0000001_0
SCORE:  -1490.434  -2647.519    282.204   1692.963               -152.050                 48.821                107.406    882.580       -970.929            -5.796                 -36.000   -915.480         -152.157        -79.781       -239.699       -115.445     -61.448       -6.315                   25.389      4.017        31.801       224.259        422.885   -112.609      74.649   -101.507       0.000         43.580        265.746  11852.000 HKH_2021_1IRA_run_2_complex.873_chain_B_6_0000200002_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.873_chain_B_6_0000200002_0000001_0
FOLD_TREE  EDGE 457 198 2  EDGE 198 1 -1  EDGE 198 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_2_complex.873_chain_B_6_0000200002_0000001_0
RT -4.58857e-05 -0.037989 0.999278 0.973276 0.229471 0.00876835 -0.229638 0.972574 0.0369633 -27.2722 -8.15675 -41.3484   HKH_2021_1IRA_run_2_complex.873_chain_B_6_0000200002_0000001_0
RT -0.238797 -0.795369 0.557103 0.943161 -0.326523 -0.0618957 0.231137 0.510657 0.828134 -10.4663 -2.48023 -10.6166   HKH_2021_1IRA_run_2_complex.873_chain_B_6_0000200002_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTHGIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_2_complex.873_chain_B_6_0000200002_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_run_2_complex.873_chain_B_6_0000200002_0000001_0
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SCORE:  -1559.180  -2627.948    270.363   1687.810               -148.836                 46.573                105.744    897.726       -967.020            -5.867                 -36.988   -954.057         -155.267        -81.398       -241.041       -130.541     -73.117       -6.345                   19.473      5.480        31.578       221.030        420.632   -114.077      75.052   -101.507       0.000         41.491        261.876  16893.000 HKH_2021_1IRA_bound_native_3_xtal_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_bound_native_3_xtal_0000100001_0000001_0
FOLD_TREE  EDGE 457 198 2  EDGE 198 1 -1  EDGE 198 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_bound_native_3_xtal_0000100001_0000001_0
RT -0.317117 -0.948298 -0.0129633 -0.545432 0.17118 0.820488 -0.775848 0.267261 -0.571517 -31.9804 -28.8225 -23.9829   HKH_2021_1IRA_bound_native_3_xtal_0000100001_0000001_0
RT -0.150126 -0.706679 0.691424 0.959376 -0.273098 -0.0708175 0.238872 0.652704 0.71897 -10.8586 -3.15245 -10.4253   HKH_2021_1IRA_bound_native_3_xtal_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTH[HIS_D]GIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_bound_native_3_xtal_0000100001_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_bound_native_3_xtal_0000100001_0000001_0
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LQwsAC1b0sGE6pLnQRs5BCx6mrG0U1+mQ3TLDCdY8uG0WvJnQ+tMDCFng1GEBUYnQRl1BCVqUyGkaWqmQsKwACZRnvGkakbmQRrH/BNh30Gkm2cmQwb6ACZs0nG0uKMmQdNF9BVSfyG0ZOPmQw0x/BB7YlGULh+lQqVZ9BFvwqG0PAAmQ1jhACVcE0GEVzSnQvBACCZoRjGEK16mQtPvBCZyu6G0RtumQOJyCCN3fxGUlwhmQF/1+BtlB7GkyGpmQwS3BCZEpjG0w8KmQj2N7BlCx2GkQwQmQ+PBACh7OfG0wjylQmSx7BN14oGE0O1lQ HKH_2021_1IRA_bound_native_3_xtal_0000100001_0000001_0
LpBRECRAlqGEyOCnQ30jFC5CduGU0qInQsn+FC58p1GUVI2mQZDqFCpbUzGUqjjmQhdgGCJrUlGENVMnQnYOGCx/ceGk29fnQsEYFCZJwVGEnlenQ4R3GC5engGEvPznQCiMFCVgUPGEfXwnQHlpGCVoFaGkGXCoQO60FCZKgRGU6jBoQasnFC9lzKG0gKKoQQMNECxeykGEGs2mQHueFC5rQzGEJKXnQ8gbGC5DPgGE8f+mQo2hHC9xQoG0jONnQz93ECxZ3TGkIhPnQjXiHCVTcnGE9l0nQKakECRDdIGk1xvnQ44IHClssbGU41JoQU2JGC9cFNGEKKQoQ HKH_2021_1IRA_bound_native_3_xtal_0000100001_0000001_0
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LWh7ECZCJvGkoIOlQWh7FCZCJvGkoIOlQWh7ECZCJ3GkoIOlQ HKH_2021_1IRA_bound_native_3_xtal_0000100001_0000001_0
SCORE:  -1480.714  -2663.927    282.655   1709.594               -150.614                 47.550                105.231    892.898       -976.500            -5.806                 -35.634   -921.382         -147.013        -79.021       -238.916       -120.526     -57.643       -3.649                   32.787      3.762        32.246       226.874        422.592   -113.835      72.992   -101.507       0.000         40.917        265.160  21292.000 HKH_2021_1IRA_run_1_complex.813_chain_B_6_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.813_chain_B_6_0000100001_0000001_0
FOLD_TREE  EDGE 457 198 2  EDGE 198 1 -1  EDGE 198 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_1_complex.813_chain_B_6_0000100001_0000001_0
RT -0.55263 -0.700686 0.451265 -0.778216 0.240039 -0.580311 0.298295 -0.671879 -0.677937 -24.0911 -17.8342 -1.02483   HKH_2021_1IRA_run_1_complex.813_chain_B_6_0000100001_0000001_0
RT -0.250677 -0.88752 0.386611 0.937453 -0.322195 -0.131803 0.241542 0.32939 0.912776 -11.6689 -2.28432 -13.532   HKH_2021_1IRA_run_1_complex.813_chain_B_6_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTH[HIS_D]GIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIH[HIS_D]GGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_1_complex.813_chain_B_6_0000100001_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_run_1_complex.813_chain_B_6_0000100001_0000001_0
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LzNhECZVolGEDznkQzNhFCZVolGEDznkQzNhECZVotGEDznkQ HKH_2021_1IRA_run_1_complex.813_chain_B_6_0000100001_0000001_0
SCORE:  -1506.516  -2630.072    277.625   1684.104               -150.090                 47.514                106.481    877.526       -964.532            -5.520                 -35.122   -933.250         -154.289        -80.905       -239.379       -114.480     -65.193       -6.337                   27.122      6.674        31.647       220.854        420.537   -114.887      75.050   -101.507       0.000         43.326        270.592   7791.000 HKH_2021_1IRA_run_2_complex.398_chain_B_8_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.398_chain_B_8_0000100001_0000001_0
FOLD_TREE  EDGE 457 198 2  EDGE 198 1 -1  EDGE 198 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_2_complex.398_chain_B_8_0000100001_0000001_0
RT -0.27159 0.577493 0.769896 -0.748095 0.376594 -0.54638 -0.605469 -0.724347 0.329741 -40.7034 -18.4685 -29.7684   HKH_2021_1IRA_run_2_complex.398_chain_B_8_0000100001_0000001_0
RT -0.211304 -0.760298 0.614246 0.957204 -0.288121 -0.0273454 0.197768 0.58218 0.788641 -12.6346 -2.7613 -8.19664   HKH_2021_1IRA_run_2_complex.398_chain_B_8_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTH[HIS_D]GIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_2_complex.398_chain_B_8_0000100001_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_run_2_complex.398_chain_B_8_0000100001_0000001_0
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