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:  -1484.870  -2644.868    284.051   1716.129               -150.526                 47.817                106.687    905.925       -976.491            -5.924                 -36.234   -955.612         -147.659        -83.243       -241.743       -118.916     -68.286       -6.457                   30.539      5.061        33.477       220.661        417.131   -114.944      74.277   -101.507       0.000         48.272        277.513   4535.000 HKH_2021_1IRA_run_1_complex.528_chain_B_10_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_1_complex.528_chain_B_10_0000100001_0000001_0
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_1_complex.528_chain_B_10_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.528_chain_B_10_0000100001_0000001_0
RT 0.657905 0.687725 -0.306913 -0.0920743 0.477928 0.87356 0.747451 -0.546461 0.377753 -11.9767 -28.3378 -20.29   HKH_2021_1IRA_run_1_complex.528_chain_B_10_0000100001_0000001_0
RT -0.175089 -0.77938 0.60159 0.964559 -0.258303 -0.0539118 0.19741 0.57083 0.796984 -11.7758 -2.6765 -10.314   HKH_2021_1IRA_run_1_complex.528_chain_B_10_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_1_complex.528_chain_B_10_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.528_chain_B_10_0000100001_0000001_0
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L0INFCBE6lGkuQalQ0INGCBE6lGkuQalQ0INFCBE6tGkuQalQ HKH_2021_1IRA_run_1_complex.528_chain_B_10_0000100001_0000001_0
SCORE:  -1446.646  -2664.629    287.971   1712.014               -151.368                 46.987                106.792    896.369       -977.167            -5.418                 -33.425   -920.472         -145.928        -77.791       -240.818       -111.572     -61.941       -6.729                   30.517      5.297        32.502       225.256        419.688   -111.512      75.291   -101.507       0.000         57.052        267.895  11634.000 HKH_2021_1IRA_run_1_complex.578_chain_B_17_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.578_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.578_chain_B_17_0000100001_0000001_0
RT -0.135042 -0.271927 0.952796 -0.599573 -0.743143 -0.297071 0.788845 -0.611388 -0.0626848 -27.9018 -7.53971 -7.61545   HKH_2021_1IRA_run_1_complex.578_chain_B_17_0000100001_0000001_0
RT -0.134358 -0.736158 0.663339 0.967118 -0.24329 -0.0741094 0.21594 0.63157 0.74464 -11.9912 -2.29661 -10.9555   HKH_2021_1IRA_run_1_complex.578_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.578_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.578_chain_B_17_0000100001_0000001_0
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LOs8CCt5WYHk7tXoQQuDCCx4gPHE3yaoQyf6BC1s5GHEtGSoQJkvBCFOd9GksiUoQFrpAClbvTHEsDeoQVRzAClWGcH094moQIGy/BVQiYHk9jUoQt6lCC9p8fHkxaWoQcTfCCNetLHEg2hoQg8EAChMHNHUHWhoQJRo/BFC3eHEObpoQBjUBCB2lYHEAstoQnvXBCNH2iHkY6joQUK29BRXQbHEJXXoQXXcACFGJfH06URoQ5ud/BtDwSH0hcOoQ HKH_2021_1IRA_run_1_complex.578_chain_B_17_0000100001_0000001_0
LFp7BCZ9WKHECEIoQbKzBCVLrDHkLI9nQCIwCCl3IIHEUVsnQufADCZ8yRH05AsnQKQXACpWyDH02C1nQEbi+B5a1+GEvuBoQi9k+BV6cwGEyECoQ3H98BRlXtGkJ8qnQMKFCCd4QSHUD6GoQ1jGCClxf7GUNZAoQ8AFACpc0LHU14wnQw3WACl3D/GUpzmnQdww+BZPmBH0g0JoQUXl8BlvZBH0Px9nQKrz8B5IvkGkn+onQWU96BZPzwG0S0qnQiEF+B1LqwG0E1dnQ HKH_2021_1IRA_run_1_complex.578_chain_B_17_0000100001_0000001_0
LNpQDCxWYBHUMLenQdGKECNDMFHUnhNnQjsaDCFQgJH0Va6mQLaqCCZHsDHktNwmQxPEFChx+7GkZqFnQfQ9FClfm/Gkf3ymQDg7FCZWC4G0j4XnQMIADCBIe5GEh4enQ6txEClniLHU6NUnQXLcECBcd1G0Q+/mQYxiGC1344GUC+tmQKfWFCdSMCH0wSlmQUKnGCJpFGH0n23mQzIjGC5UexGERNSnQ0AkGCB5g+GU3ldnQ2uSFCpbP1GEw5knQ HKH_2021_1IRA_run_1_complex.578_chain_B_17_0000100001_0000001_0
L80sDCpkhTHkGv0mQYcEDCNitYH0wZimQIACEC5/tZHE2tPmQYdoDCxiocHEeC+lQuElCCVjBkH0hHomQN1sDC93XqHUVCvmQVUiBC10mjHk6b5mQDxUECZD7XHUi+9mQ5+NCCFM6THkMRdmQbXJCCRHtnHEJ4ZmQUvcDCRc0xH0i5umQ92MBCVuorHEy88mQ7UtACdt+eHU9szmQ0i8BC9Y8fHkm1HnQ HKH_2021_1IRA_run_1_complex.578_chain_B_17_0000100001_0000001_0
LbZTFCNsXXHEIxTmQbDWGCZZcYHURnDmQbwcGClfpOHkJf1lQtprGCVPwFH0NU9lQDzsHCptSaHkENOmQ8m1HCZIzkH0e2ZmQQsOJChK6lHEobjmQrFZJCJMewHEPVvmQhovKCxpgxHU6A5mQ4zhFCBX0UHkDmimQrgGGC1JQfHUYY5lQ2u4HCFE7THUhrZmQX3eICFg4ZHUuICmQTlqHCdZUrH0BlOmQttFHC9iSlHUHfmmQYeaJCRGTfHkrcumQrE+JC52hlHkCmWmQOMPJC9hD3HU/KkmQLNpIC1o9wHEZ+7mQF7zKClum4H0CsAnQTZ5KCNKgrH0rjDnQ9ZcLCZOKxH0xXtmQ HKH_2021_1IRA_run_1_complex.578_chain_B_17_0000100001_0000001_0
LLJTGChrYQHEfrglQkyWGC5EtHH0EVRlQptPHCdluJH03L+kQNOZHCVglSHkdC2kQo39EC5FLFHUCbIlQXE+DCldqBH0NhYlQdHHDCJY9IHEqghlQ5b4DCtrF3GEA1elQizLCCxo2FH0MYwlQ9L9CCpZ/zGkSytlQ8kGCCtOa7GU+k2lQlPFGCt5+XHEFnblQATvGCphrAH04bZlQM5kEClYOMHktRAlQGbEFCNX6+Gkgj8kQ/RLDC1+XRHElxclQNmjECRJOxGUIzXlQ+lhBCphzLHEGQ3lQ7x5CCxZsrGkcrylQfuXBC9SC5GEjaCmQ HKH_2021_1IRA_run_1_complex.578_chain_B_17_0000100001_0000001_0
LX3xHC9ORBH0oz1kQKzeICFPxBHUb3hkQEIXHCh5IAHkQ+RkQqGeGCRhl5GUR8VkQRMiJCRKK5G0aXhkQxVoKCJwU7G0EGxkQ8hfKCJ993GkCHGlQ7jxLCJhiAH0FtqkQySfLClY45GkqfUlQO1xMCpuYCHUiL5kQR2oMCZ6F/GUEDOlQXjpNCBZ5AHU8iclQDArHCpSK6G0AU9kQKd7IC5DpJHk5gfkQrbEJC96nxGU7hlkQmf9JCx6a4GUWcRkQR+lJCBiyzGEHQLlQUt4LCR8KDHENMakQZVYLCt8R3GEmsklQUzrNC5AdGHEpH0kQ6nZOC1tEEHUxXVlQ HKH_2021_1IRA_run_1_complex.578_chain_B_17_0000100001_0000001_0
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LC1KHCltO+GkzgQjQL93HCJeO+GE617iQpyHHChzW5G0/DpiQ4wsGCZqIwGk3upiQWuOJCJlj4Gk0k+iQXsBKChwZ2GU30piQ8EhKCxhVAHE7SeiQG2OLCF8EHHERLniQhMIKCNPNBHE++JiQ08+GCdzF3Gk/HYjQdFFIClIiGHEAt3iQeQ3JCl3U9GUgDJjQCbEJCVD4wGk3bGjQ535KClYvxGkEJuiQ9taJChOxxGU8ueiQHkaKC9GeHHUCIBiQuFiJCBAT7GEMUDiQ HKH_2021_1IRA_run_1_complex.578_chain_B_17_0000100001_0000001_0
LQ/9GCZKf/GE24XiQjAPGC9Ab7GUqXFiQxD5GCtyIxGknY9hQQqHICl2qwGEM86hQQ7KGCpEuDHkGhzhQNaRFC53ZAHEvHhhQ4CKFCJOqIHkHEQhQFI0FChPuQHUChRhQ6rYEC5q+GH0jjBhQ+VVHCBqCHHEKAYiQkwNFCRvm5GkKCKiQ3YzFCVJQLHUWy5hQZ4KHClSGFHUBMthQJfqFCx3F5GkB6ZhQSCSECl+l+GETinhQ HKH_2021_1IRA_run_1_complex.578_chain_B_17_0000100001_0000001_0
LQOEGCVW8oGkFr5hQqQgGCxTZeGUOjyhQOa2GCphMeGU3nahQ+6uHCxbIYGkz4ThQmmBGCVBvhGUG1NhQviZFClERWGk993hQTWwFCB6SKGkSn0hQKAsGCdpbGGEt1+hQKEFFCpaAFGUi8nhQDMEFCNFEqGENP8hQyjZHC52RcGEOk7hQtWFFCNAcXGUiXIiQkmhECZ2GYGEDIuhQ HKH_2021_1IRA_run_1_complex.578_chain_B_17_0000100001_0000001_0
LVxCECVtNoGEGMKlQVxCFCVtNoGEGMKlQVxCECVtNwGEGMKlQ HKH_2021_1IRA_run_1_complex.578_chain_B_17_0000100001_0000001_0
SCORE:  -1490.361  -2657.483    281.432   1718.305               -152.260                 49.057                106.007    892.669       -976.749            -5.804                 -35.158   -942.931         -150.580        -79.214       -241.204       -116.785     -59.886       -6.384                   27.241      4.807        33.037       228.670        416.776   -111.981      74.281   -101.507       0.000         48.874        266.407  11958.000 HKH_2021_1IRA_run_2_complex.214_chain_B_5_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.214_chain_B_5_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.214_chain_B_5_0000100001_0000001_0
RT 0.24567 0.760969 0.600477 0.883548 0.0790226 -0.461625 -0.398733 0.643958 -0.652939 -33.9877 -5.76301 -31.3475   HKH_2021_1IRA_run_2_complex.214_chain_B_5_0000100001_0000001_0
RT -0.352931 -0.905792 0.23448 0.915741 -0.38582 -0.112073 0.191982 0.175169 0.965639 -10.7871 -2.63679 -11.6868   HKH_2021_1IRA_run_2_complex.214_chain_B_5_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.214_chain_B_5_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.214_chain_B_5_0000100001_0000001_0
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Lvg0BC5j9KFEamskQ+ruBChoXYFUKk/kQStGBC9AqLFEe9RlQo0AAChpuCF08gPlQe04AChvnrFkc14kQVb2ACFv4+FUTLGlQ3y7BCNbDGGk94FlQXcf/BhmaCG0vfRlQdO8BCh/ePG06oQlQjzd/Bl2CMGE5aclQCS2ACdjkSGUEzblQf/ABCxufCF0/wnkQpduCCxvgdFEYTElQuDOBClZkwF0XCpkQcpu/BF5JmF0UH3kQ66yCCZfnDGU4l8kQJtw9BNXe6FUkiRlQQ1zCCdyiUGU5FQlQnms9BRkdOGUWZllQ9N3ACxsIaGUvHklQ HKH_2021_1IRA_run_2_complex.214_chain_B_5_0000100001_0000001_0
LXUzBCFumKFkPOklQiqUBClz89E0fo2lQe/fBCF79IFEuMMmQYecCCxmIVFU7PPmQ4tDCCpqvoE0rM3lQfajDClpnrE0HO5lQ2eSEC1MlXEUTg5lQoYyDCVuLGE05I0lQpWhFC9QLZE029/lQO2sCCR/jSFkLzklQklQACx356EUAb0lQyTtBCF1OfEUPtEmQXm1BCRrBgEEnxolQ956DCluK1EkhyrlQfgxDC18rzE0tMImQRDGGCdgGME0owAmQn64FCleVnEEgYEmQ HKH_2021_1IRA_run_2_complex.214_chain_B_5_0000100001_0000001_0
LnPnAC5jLEFkMZbmQKcrAC9X3NFU5xwmQxWhBCh72AFU9sAnQfFYBCRlStEES5BnQJtg+B5IzQFEig5mQAsT+B9sAeFk61NnQioe7BVI+gF0tRVnQtZt5BJByXFETzLnQPvD7BJVBtF0rNknQPYu/BRv25EERFYmQCeIBCp4odFEqUvmQW0Q9BJVFYFkBmtmQWmq9BZJJBFk6A9mQjmb/BZBIWFkcjanQmMO/BFDptF0j8KnQ HKH_2021_1IRA_run_2_complex.214_chain_B_5_0000100001_0000001_0
L5gXCCx+FMFkDENnQQMODC5CrCFUUydnQvxbCCBYN1EEm4tnQp1CDCdnWrEkc47nQGKRBCllW6EUdcxnQWW8DCBBAUFE4DrnQh+FFC1mpgFk9GgnQrrgFCddbbFkkrOnQiNjFCtnxvFk4IqnQjRbCClMScFULaKnQKv9DC5qc4E0VFWnQb9MDCJxifF07ewnQQ4WEC1wdMFUTV5nQ HKH_2021_1IRA_run_2_complex.214_chain_B_5_0000100001_0000001_0
LjfFGChZPmGE9CBlQjfFHChZPmGE9CBlQjfFGChZPuGE9CBlQ HKH_2021_1IRA_run_2_complex.214_chain_B_5_0000100001_0000001_0
SCORE:  -1482.979  -2652.930    279.040   1705.542               -152.294                 49.014                107.064    899.916       -974.297            -5.659                 -36.647   -936.284         -145.849        -79.436       -242.660       -122.327     -69.560       -6.458                   25.821      5.603        34.877       231.065        416.431   -114.156      75.423   -101.507       0.000         51.354        275.936  11648.000 HKH_2021_1IRA_run_2_complex.623_chain_B_8_0000200002_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.623_chain_B_8_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.623_chain_B_8_0000200002_0000001_0
RT -0.166921 -0.782765 -0.599513 0.766991 0.278996 -0.577829 0.619566 -0.556273 0.553804 -12.0119 -0.770601 -27.8741   HKH_2021_1IRA_run_2_complex.623_chain_B_8_0000200002_0000001_0
RT -0.30606 -0.876987 0.370433 0.943331 -0.331796 -0.00611441 0.128271 0.347569 0.928839 -9.688 -2.46493 -10.6882   HKH_2021_1IRA_run_2_complex.623_chain_B_8_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]ALFLGIH[HIS_D]GGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_2_complex.623_chain_B_8_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.623_chain_B_8_0000200002_0000001_0
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LmnIFCxPJuIEfvWkQd6PGChoXxIUDrekQx9bHCFeExI0KXPkQe5MICdC40IkQJNkQL7qGC9/ivIEzC1kQjDxHC576yIE8SAlQ8bWHC5nm4IEWWFlQpZLGCt/v5IkeZElQtONICdzw7I0eYKlQtQ7ECNimqIk+PekQTE7FCdxh1IUmofkQD7zFCBUmvI0xG/kQLoAHCd5crI0wS0kQZKBICVT8wIUVJPlQaNqICxv/yIUzX2kQ HKH_2021_1IRA_run_2_complex.623_chain_B_8_0000200002_0000001_0
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L4B0JCNdJoIEGiXkQqr4KCZgTmIkyflkQFbNLCZFWgIUHfikQuqXMCdVueIE+6jkQy/iKCNypnIEVA9kQxUZJCNuLkIk+oFlQ5JyLCJU7mIkUOKlQGA3ICp4MoI0orckQ6FyLC9VkoIEJbhkQ9SOKCViyrIEA69kQ98LJC59SlIkYwVlQVjgIChmxkI0uF8kQnlpJCtWDgIUOnFlQ1klLCl55nIUMualQrNGMCNZ0iI0hGJlQQPlMCxUfpIU6RElQ HKH_2021_1IRA_run_2_complex.623_chain_B_8_0000200002_0000001_0
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LxBsGCxv5MIE7HtjQPSjFCVWYJIEX+wjQGyFFCF63GIkUIcjQaBNEClQeDI0eQcjQ/6WECVaYMI09/6jQbv7DCZ6mQIUT8sjQXcvECJ5pOI0QRQkQCdhGCNCkQIEGnmjQsv2FCx6LGIU807jQXuhDCNemJIUIR9jQEXfDCJDFPIECqgjQAZ5DCFqsQIkiMXkQs5BFCVCaLIEzgakQGekFCZXcRI0AcOkQ HKH_2021_1IRA_run_2_complex.623_chain_B_8_0000200002_0000001_0
L3+sFCN7nIIUTeKjQTpXFCph0GI0C70iQE7LGClk9BIUVauiQOJbHCdqQCIESlsiQpcnFClvRLIEKskiQDjuECV8HQIku9miQk+CFCx1QUI0lwViQWKKECJwNZI0zzXiQ6NeEC9+TdI0UKHiQoDcGCpkULIUwjMjQyPUEC5mrFIkzj0iQuwpGCp8lMIkVxliQQidFCJbrJI0KpUiQw4rDCFo4OIEecliQLk3ECZY5RIkVu2iQJ9FGCNJdVI0BFXiQdG5ECBjeSIEsAGiQpeHDC1OBYIU7KWiQVeTECVE/aI09kniQyS3DCpbggIk8EJiQsybFCRnfeIkhoIiQaCVECd3ubIUed4hQ HKH_2021_1IRA_run_2_complex.623_chain_B_8_0000200002_0000001_0
LZjeFCFFG7HkinqiQL0GGCNJ9wHkQPliQzXjFCdWbrH0nyRiQyIYECxrLsHERcMiQBS9FCd87oH03h3iQkwjGC1WdsHUrULjQqKyFCFo9wHUxGbjQaC6HCFlnrHU9UOjQoZWGCZyc0Hk3otjQGQeICN/NvHEXvgjQGisHCt+lzHUHbwjQngdECFkd7H00usiQ74JHCh3byH01TiiQkj5ECV5cnHkWV6iQtgaGCNZXhH0R3yiQkJtEC1tyxH0HrYjQ6ZhICBgGoHk8wBjQJUuFCNLB4HkGA6jQs1iJCV1ouHUZ9ijQSqJICZdb2HUX6+jQ HKH_2021_1IRA_run_2_complex.623_chain_B_8_0000200002_0000001_0
LVVYGChwMlHUllHiQnQ4FCJtWeHkt72hQGolFCR3AUHkZiCiQh+VGCh4BRH0mBRiQVJ6GCFQvcH0H5lhQ/kPHC9DkmHUpAahQdRUICRTjsH0ksghQVVgGCZKrpH0jbIhQukqICN1g1H0Q+VhQS02GC5Z1yH0xn9gQl17HCdlv4Hk2YEhQCATICxA8AI0bm5gQRYXHCBq5kHUXwLiQtL9EC9VihHkNKwhQmfzHCVO4ZH0vhthQaakGC1AtWHUirahQcp5ICJiBqHEeiuhQnopFCJx7kHEKIDhQh2gJCll/5HU4JbhQ/hSGCFyY1Hk3xvgQSbtHCl1dBIEjmtgQ HKH_2021_1IRA_run_2_complex.623_chain_B_8_0000200002_0000001_0
L0lgEChYiOHUSv8hQjROECtrbEHkZTHiQ/NmDCli+8GkRy2hQ+VaCClF29G0GDxhQ1kVDCNesGHUI2aiQJ1PDCVbF+G0kBriQ5iZEC90V6GEOzziQ4cDCCF6Q6GEVuyiQbrYECJZ/yGk6bDjQYwBCCZjxyGU8oCjQWRNDCxSJvG00DLjQRU6DC1iTRH0G8whQuKKFCZC3AH0ybMiQBBuDCd4yNHUY6iiQukVCClakIHUVlViQC2VFCRbc9GEjFuiQYiJBCVlT9GEkZsiQ1dUFC9uPwGU3yJjQkAFBChXyvGEUsIjQKXNDCl8PpGUKvXjQ HKH_2021_1IRA_run_2_complex.623_chain_B_8_0000200002_0000001_0
LeYcECJU61GUUUuhQDTFECt1EvG0qMchQ60EEC55JjGkDighQaWGFCZKceGUp8lhQV2BFCNibxGUeYJhQn23EC1nHqGkxn1gQ14iDC5ScrGUE1pgQZYNDCRzM0GUFXigQ0XyCCZlriGEABogQwvYFCJ3j1G0k10hQdwEDCV3QxGEwPXhQ+H5ECher5GUUMEhQMnDGCd4owGUg3OhQOwqFCB4GsG03bqgQ+L+ECl1uhGUWV6gQQP6BCpvAjGk8TggQT3GDCdqdbG08WugQ HKH_2021_1IRA_run_2_complex.623_chain_B_8_0000200002_0000001_0
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LVwYECxumEGEl2ZhQ/LQFCpZ27FEDiMhQ4XmECRJlmFE8LGhQSI4ECZ6ieFUiw0gQ5iKEChhzaFULeUhQBKlGCFPj2F0lrXhQ63pHCVUMEGUI+ZhQNjpHCRjFMGUQ2OhQ3giICJzZCGEoGnhQvwWECBTaDGEIDqhQJieFCRNWCGEj79gQlBXGCtpewFUqrnhQQ6CHCJQ1pFkp1OhQ HKH_2021_1IRA_run_2_complex.623_chain_B_8_0000200002_0000001_0
LORyGCFFZqG0CbHlQORyHCFFZqG0CbHlQORyGCFFZyG0CbHlQ HKH_2021_1IRA_run_2_complex.623_chain_B_8_0000200002_0000001_0
SCORE:  -1508.775  -2654.385    275.677   1695.158               -150.041                 47.404                105.706    889.692       -969.452            -5.456                 -34.405   -928.045         -151.143        -79.390       -238.078       -117.788     -68.777       -6.265                   25.183      2.706        32.722       226.577        416.391   -112.364      74.342   -101.507       0.000         51.430        265.335  14668.000 HKH_2021_1IRA_run_1_complex.407_chain_B_13_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.407_chain_B_13_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.407_chain_B_13_0000100001_0000001_0
RT 0.493698 0.196117 0.847231 0.172847 0.932673 -0.316616 -0.852283 0.302754 0.42656 -17.2376 -21.2957 -41.0379   HKH_2021_1IRA_run_1_complex.407_chain_B_13_0000100001_0000001_0
RT -0.307533 -0.871298 0.382445 0.925579 -0.367158 -0.0921917 0.220744 0.325631 0.919367 -11.2188 -2.84021 -11.3848   HKH_2021_1IRA_run_1_complex.407_chain_B_13_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.407_chain_B_13_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.407_chain_B_13_0000100001_0000001_0
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Lb73NCNvb9F0jr0jQvK6OC9BF8FESEkjQuswPChoynFkYwljQUBCQCpfydF0tUVjQzfhQC5IFmFEZK1jQW32PCd3tHGkSskjQ+rTPCReRSG0qLbjQo4SOCh3NSGEopQjQf+8PCF6caGEDNejQlotNC931FGUGd8jQOKaOCRd67FkskUjQQ0IQClEOJG0tR1jQAaxQC5OqFGEzJcjQ HKH_2021_1IRA_run_1_complex.407_chain_B_13_0000100001_0000001_0
LRuWFC1ZGpGkFI+kQRuWGC1ZGpGkFI+kQRuWFC1ZGxGkFI+kQ HKH_2021_1IRA_run_1_complex.407_chain_B_13_0000100001_0000001_0
SCORE:  -1495.781  -2653.160    277.951   1718.714               -151.088                 46.825                107.521    899.757       -977.324            -5.850                 -35.638   -952.739         -149.327        -79.957       -239.664       -111.697     -72.159       -6.201                   26.921      5.649        32.995       226.417        423.030   -114.097      74.119   -101.507       0.000         43.778        270.951   6676.000 HKH_2021_1IRA_run_1_complex.516_chain_B_16_0000400004_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.516_chain_B_16_0000400004_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.516_chain_B_16_0000400004_0000001_0
RT 0.632725 0.135058 0.762508 0.679433 0.375597 -0.630316 -0.371525 0.916889 0.145887 -19.5206 -7.062 -44.3043   HKH_2021_1IRA_run_1_complex.516_chain_B_16_0000400004_0000001_0
RT -0.210616 -0.723541 0.657366 0.946733 -0.318532 -0.0472704 0.243594 0.612393 0.752088 -11.4235 -1.98212 -10.7933   HKH_2021_1IRA_run_1_complex.516_chain_B_16_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.516_chain_B_16_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.516_chain_B_16_0000400004_0000001_0
LV6ZxB5qsHDUZmeaQX93uBVyFFD0yh1aQ0X3tBllYxDktwAbQUCcvBdkoHE0fNGbQ1ENvBpAxrCk6+ebQBq/vBxvK8B0SJXbQTT7vB9TLhB0hiyaQftvwBBrZPBER90bQQ++xBlCppCEbxWaQFzKxBtwKZDUcsDaQcazyBF9aVDkJdxaQVoZtBRac1C0SHhaQEvtwB91I7CEjEzbQ24UtBJNVsCkpswbQ HKH_2021_1IRA_run_1_complex.516_chain_B_16_0000400004_0000001_0
L19PrBJ/71DUHWGbQC6JqBpWzPEk4USbQpQRqBZy0SEkZqCcQ7lNoBx5lTEENMYcQu2RnBZOGSE0cdCbQxh/mBRhOSEEE2RaQ3YEkBhRjUEkUcEaQ47wjBBNyUE0RzTZQHC6gBZ5rWEk/dGZQwdAqBBiwcDE4HCbQumXrBlEVcE03uDbQ5pEmB1BBFE09CPbQw3bmBJu+gEk1pObQ7GJoB96hfEEkwEaQQnynBV5ZDEUMzEaQ5i6iBJ/PHE0LeRaQACRjB5sajEUEZRaQCO4kBh2RiEk/0GZQ7clkBVpAGEEKvGZQDpygBtKyWEk2KmYQxotfBZVIKEERBSZQVRIgBJnbkEU7ESZQ HKH_2021_1IRA_run_1_complex.516_chain_B_16_0000400004_0000001_0
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LP3yHCVHqjD08mBiQ+64HCJ2O1Ck/aEiQjx3HCtS7pCUlEciQ2jrICV8s6C0HYoiQqFNJCdRNjCEbG7hQ0XSJC9VgtCUiCjhQSkQJCFH9hBUlK/hQeFpKCdQrlCUJEZhQaqmICRRU2DEqUEiQwXCHCR69lCU/r8hQRcDKCtdWyC0m4CiQAlkICh8WaCUO0ahQSCCJCFP/ODkcpghQvNLKCN9bHBk814hQJLOJC5drTB0WMQiQrEaIC5BTDBU3R3hQCemKC569tCUOJIhQH1YLCBDn5CUDAhhQDG7KCRPVECUKmahQ HKH_2021_1IRA_run_1_complex.516_chain_B_16_0000400004_0000001_0
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Le//EChfsjGEYNMlQe//FChfsjGEYNMlQe//EChfsrGEYNMlQ HKH_2021_1IRA_run_1_complex.516_chain_B_16_0000400004_0000001_0
SCORE:  -1455.952  -2705.354    305.940   1726.286               -151.709                 49.711                107.056    909.524       -988.283            -5.711                 -36.149   -947.104         -146.700        -78.132       -244.644       -122.359     -71.462       -6.112                   37.967      9.770        33.978       225.122        423.958   -112.635      75.387   -101.507       0.000         60.956        296.255   7069.000 HKH_2021_1IRA_run_2_complex.206_chain_B_8_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_2_complex.206_chain_B_8_0000100001_0000001_0
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_2_complex.206_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.206_chain_B_8_0000100001_0000001_0
RT -0.494728 -0.634789 0.593538 0.868382 -0.334367 0.366212 -0.0340072 0.696593 0.71666 -29.9026 -4.39601 -40.6445   HKH_2021_1IRA_run_2_complex.206_chain_B_8_0000100001_0000001_0
RT -0.233417 -0.880038 0.413582 0.945739 -0.304337 -0.113825 0.226038 0.364572 0.903324 -11.1427 -2.4793 -9.98186   HKH_2021_1IRA_run_2_complex.206_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.206_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.206_chain_B_8_0000100001_0000001_0
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LY5jFCRVenG08hVlQY5jGCRVenG08hVlQY5jFCRVevG08hVlQ HKH_2021_1IRA_run_2_complex.206_chain_B_8_0000100001_0000001_0
SCORE:  -1484.146  -2623.694    279.947   1675.627               -150.174                 48.671                108.776    878.867       -962.910            -5.469                 -34.668   -918.355         -157.925        -78.645       -242.112       -104.767     -71.155       -6.403                   30.212      4.604        34.313       222.131        417.768   -114.343      76.052   -101.507       0.000         42.102        268.913   2197.000 HKH_2021_1IRA_run_2_complex.840_chain_B_8_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_2_complex.840_chain_B_8_0000100001_0000001_0
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_2_complex.840_chain_B_8_0000100001_0000001_0
FOLD_TREE  EDGE 457 233 2  EDGE 233 1 -1  EDGE 233 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_2_complex.840_chain_B_8_0000100001_0000001_0
RT 0.685912 0.130607 -0.715868 0.675215 0.252554 0.693037 0.271311 -0.958727 0.085042 -27.5336 -57.9833 -13.6608   HKH_2021_1IRA_run_2_complex.840_chain_B_8_0000100001_0000001_0
RT -0.0713647 -0.9852 -0.155849 -0.592476 0.167566 -0.787968 0.802421 0.0361035 -0.595665 -1.28469 7.14668 -3.58895   HKH_2021_1IRA_run_2_complex.840_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.840_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.840_chain_B_8_0000100001_0000001_0
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SCORE:  -1446.848  -2719.450    310.326   1747.718               -151.840                 50.326                107.914    922.433       -995.963            -5.846                 -36.032   -942.110         -145.932        -79.913       -242.398       -120.973     -72.741       -6.315                   32.303      7.732        38.265       225.481        418.849   -113.076      75.134   -101.507       0.000         53.241        297.525   7866.000 HKH_2021_1IRA_run_2_complex.158_chain_B_12_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_2_complex.158_chain_B_12_0000100001_0000001_0
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_2_complex.158_chain_B_12_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.158_chain_B_12_0000100001_0000001_0
RT -0.453873 0.24244 -0.857451 -0.328464 0.848991 0.413914 0.828318 0.469506 -0.305701 -29.0137 -30.3877 -20.8977   HKH_2021_1IRA_run_2_complex.158_chain_B_12_0000100001_0000001_0
RT -0.125555 -0.726905 0.675163 0.952119 -0.27951 -0.123871 0.278758 0.627283 0.727194 -9.02826 -1.55502 -11.3296   HKH_2021_1IRA_run_2_complex.158_chain_B_12_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.158_chain_B_12_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.158_chain_B_12_0000100001_0000001_0
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SCORE:  -1484.647  -2664.944    282.034   1722.719               -150.733                 47.781                106.028    888.438       -980.231            -5.644                 -35.391   -924.638         -155.488        -80.383       -241.630       -107.603     -68.722       -6.199                   30.289      7.515        33.130       217.616        420.322   -117.777      74.287   -101.507       0.000         51.255        274.830  16565.000 HKH_2021_1IRA_run_2_complex.511_chain_B_18_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.511_chain_B_18_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.511_chain_B_18_0000100001_0000001_0
RT 0.561776 0.826848 -0.0270324 0.200961 -0.104694 0.973989 0.80251 -0.552596 -0.224978 -19.1654 -9.03662 -8.15463   HKH_2021_1IRA_run_2_complex.511_chain_B_18_0000100001_0000001_0
RT -0.338157 -0.764395 0.548953 0.921426 -0.387546 0.0279595 0.191372 0.515275 0.835385 -11.2822 -2.93204 -12.7677   HKH_2021_1IRA_run_2_complex.511_chain_B_18_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.511_chain_B_18_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.511_chain_B_18_0000100001_0000001_0
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SCORE:  -1475.828  -2650.103    285.193   1709.017               -152.109                 48.590                108.435    894.797       -973.443            -5.431                 -33.799   -953.838         -142.227        -80.818       -237.170       -120.448     -72.566       -6.239                   34.347      6.236        36.465       228.412        421.676   -119.728      74.750   -101.507       0.000         46.047        279.634  12449.000 HKH_2021_1IRA_run_1_complex.423_chain_B_6_0000400004_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.423_chain_B_6_0000400004_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.423_chain_B_6_0000400004_0000001_0
RT 0.919948 0.328951 0.213275 0.388773 -0.835559 -0.388198 0.0505061 0.440037 -0.896558 -15.6968 12.9925 -29.2673   HKH_2021_1IRA_run_1_complex.423_chain_B_6_0000400004_0000001_0
RT -0.285114 -0.70501 0.649362 0.920106 -0.391125 -0.0206537 0.268542 0.591593 0.760199 -13.7818 -0.807539 -9.70986   HKH_2021_1IRA_run_1_complex.423_chain_B_6_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.423_chain_B_6_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.423_chain_B_6_0000400004_0000001_0
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LAwHCCtV2RGEbJdkQbx0ACtw5MGUnsYkQ2l1ACNxPBGkZgfkQXCs/BxMJ3FEdEdkQK2eACJITNGEtoAkQVEfBCVdlHGk+z0jQT3aACp4pYGkY+4jQFm4CCpmeQGENxSkQMHDACF0ERG0XshkQc5B/BlAfJG0GA+jQlvLBCVdiGG0dUmjQ/7KACtq0YGU9KojQUDU/BFHtcGEJ2BkQIQYBCJwlcGkHf7jQ HKH_2021_1IRA_run_1_complex.423_chain_B_6_0000400004_0000001_0
LdH/BCBHi7FEagnkQGFOCCBwflFkA7tkQ4T7BCd0vhFUTlFlQX8lCCpF/qFUPoTlQoaqDCZ1ufFExsokQaD/DCpdmfFkaERkQBXcFCxwuZFk1ONkQt1xFChhhZFkBX1jQvNOHCZbuUFUybxjQsHuCCJVODGUeFpkQXSjBCllIbFkixkkQHkVECZs1qFUmrwkQO33DC9aCQFEOgukQgEWDCVv5TFUWIJkQ37xDCZsTvFEHQKkQCmFGCpBOlF0tXVkQ+poFC9M4JFkU4TkQn+KFCtcXNFkZdtjQmsiFChlHpFE3fujQwpZHCJ5tUFk/ghjQb4yHChxAgFkEh4jQp8cHCV1PGF0li3jQ HKH_2021_1IRA_run_1_complex.423_chain_B_6_0000400004_0000001_0
Lu17AChA5TF0vuJlQXldACdKDPFU8OflQiYVACtxs3E0k7klQo8JAC1ifpEU5gXlQ5XK+B9qnYFEYVjlQPyE+BtfsvFkXuhlQbIb9BdFB5FEiwOlQvgq+B51d8FEv+ylQnMW9Bp1QHGEe4MlQzbm+BBvGJGUG+wlQJu79BJPnNGUT5dlQwnbACRe+MFEyO9kQvjKBC9n4VFEISqlQAnv8B5Y6RFkM7XlQ/af9B9DEUFUwYzlQUp+8Bdv9uFEG6AlQr8L/BleF1FkgMCmQXo18BFmtKGUDq9kQRaF/BhgKOGUmd+lQ3U49BJYLWG09PclQ HKH_2021_1IRA_run_1_complex.423_chain_B_6_0000400004_0000001_0
Lf4YACNcuzEEdc5lQ3DGACFHueEkcSBmQzHe9BxrjgEkiHMmQZ8x8BxOWxEkjFVmQzWMBCty+WEETlPmQ+8gCC92wTE0rsDmQuLgDC1thjEUpXEmQddwCC5q5AEE1k4lQ6etECF9yfEkfU6lQ2I+DCt4z7DEtfulQ937ECBQHNEUoevlQCCKGC9yzJEUXpllQ1FlACZo0/EEJFEmQZX//Bl/mTEUx9zlQYdWBC5+hiEEYccmQ+h5ACRGCIEEdtWmQuSVDCZ2ayEkbHNmQU0/BCNR7oDUm03lQ4cfFCVyOrEEw66lQenKECJ+KfDEx2llQZcsGCtIjWEE+tmlQ HKH_2021_1IRA_run_1_complex.423_chain_B_6_0000400004_0000001_0
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LcTe3BFkfxDk9jvmQO7s2BZ7EHDEqw3mQrTd0Bh6LHDErLInQgEL0B93QlDkwhUnQW+J5BhVLxCkNRBnQB7Z6BNvgJDUarTnQ6J38BNuI0C0DlbnQQ0v8B9b1aCEIxqnQGNG/B5ml9CkMXRnQM3X3BlpPGEkx74mQxbA2B5Q6zC0JQqmQ0Xm4BtMdRCUVIHnQOeq6BJozsCkH30mQo066B9k1pDUBdOnQOr+4Bh88KDk25gnQ99aAC1ISwCUc9VnQogC/BBeJSDUtCFnQ HKH_2021_1IRA_run_1_complex.423_chain_B_6_0000400004_0000001_0
LkV/yBJ7IkC0gBJnQ7KuwBFWWdCUVcXnQ4FexBNYDeC0tAvnQeikzBtUWNCEN10nQZMhvBtZNjBkoGSnQVIRuBBdgeBUyK8mQKuOwB12nQBkTXqmQ3AkyBNaBFBkmrumQZRbvBZb0VBEmGYmQ7aazBJeMMCk7Y+mQeYPvBNCY2CEwjUnQGtDxBVpDyAUAPTnQqz+tBd2sTBEq1dnQkj4sBFMCpA0o77mQnbItB5fGMCk/i5mQ HKH_2021_1IRA_run_1_complex.423_chain_B_6_0000400004_0000001_0
LIStvBNkQwCUhj8nQSMHwBllFwCEB7JoQ2J/wBhh8ECkycOoQCclyBlzJDCk+CWoQvdxvBBT3HBEQ8LoQfemtBxPo8C0GUQoQai7sB9vvrD0LxQoQuiYuB9cbCEkmlMoQYLArBRPu2DUlQWoQwCEuB5ql/CEiZ2nQClpxBh4gHDUApLoQHi4rB5PMsCE71MoQjqztB54+wCkceYoQ HKH_2021_1IRA_run_1_complex.423_chain_B_6_0000400004_0000001_0
LUTlCCtyBZGk8idlQUTlDCtyBZGk8idlQUTlCCtyBhGk8idlQ HKH_2021_1IRA_run_1_complex.423_chain_B_6_0000400004_0000001_0
SCORE:  -1480.111  -2629.574    283.829   1686.945               -151.441                 48.573                108.391    882.650       -966.517            -5.324                 -33.446   -924.344         -154.247        -79.767       -239.084       -114.741     -57.410       -6.318                   25.036      3.765        33.426       220.646        419.819   -113.721      74.467   -101.507       0.000         47.493        262.290  16078.000 HKH_2021_1IRA_run_1_complex.608_chain_B_16_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.608_chain_B_16_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.608_chain_B_16_0000100001_0000001_0
RT -0.414065 0.325626 0.85001 0.876778 -0.108217 0.468561 0.244561 0.939285 -0.240692 -38.9729 -12.4145 -28.5109   HKH_2021_1IRA_run_1_complex.608_chain_B_16_0000100001_0000001_0
RT -0.173587 -0.745665 0.643313 0.950573 -0.297627 -0.0884838 0.257447 0.596156 0.760473 -9.40291 -4.35962 -11.592   HKH_2021_1IRA_run_1_complex.608_chain_B_16_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.608_chain_B_16_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.608_chain_B_16_0000100001_0000001_0
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LOm6qBd8O/Dk0yLbQ5u3pB9HUUE056ZbQV1GqB1dAXEk6IKcQN7GoBN3dXEUEIhcQUT9mBhP6WEkTIMbQUCjmBtQ1XEEmxbaQR8ljBdPWaE0ebQaQPwKjB5qWbE0HEgZQe6RgBBAbdEEMsUZQg3opB1EqmDkWzGbQFPDrBh19gEEzBLbQt2xlBdAqJEUgqYbQQyJmBxzmlEUa0ZbQsaqnBtsWlE0x0OaQm7TnBRePJE09PNaQBNeiBxi1MEUZVdaQLw0iBtm/oE0v0eaQd3PkBBNEpEk9QTZQsP9jBNqzME0EjRZQrZFgB5GCeEU7g0YQdVheBR4qQEEwFgZQ85DfBth9qEUFqhZQ HKH_2021_1IRA_run_1_complex.608_chain_B_16_0000100001_0000001_0
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