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:  -1482.739  -2627.148    277.842   1678.363               -149.774                 47.327                106.535    887.361       -960.774            -5.772                 -36.390   -930.626         -151.825        -81.105       -242.290       -106.916     -68.788       -6.272                   28.584      4.985        34.642       223.209        416.438   -112.952      75.850   -101.507       0.000         48.684        269.580  27014.000 HKH_2021_1IRA_run_1_complex.798_chain_B_1_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.798_chain_B_1_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.798_chain_B_1_0000100001_0000001_0
RT -0.209715 0.913258 0.349255 0.598266 -0.162675 0.784611 0.773368 0.373492 -0.512255 -34.0057 -15.2246 -8.48422   HKH_2021_1IRA_run_1_complex.798_chain_B_1_0000100001_0000001_0
RT -0.197857 -0.732941 0.650884 0.944193 -0.320895 -0.0743316 0.263346 0.599854 0.755529 -10.1099 -2.7238 -11.7078   HKH_2021_1IRA_run_1_complex.798_chain_B_1_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.798_chain_B_1_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.798_chain_B_1_0000100001_0000001_0
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Ley8FCx+GpG0dB7kQey8GCx+GpG0dB7kQey8FCx+GxG0dB7kQ HKH_2021_1IRA_run_1_complex.798_chain_B_1_0000100001_0000001_0
SCORE:  -1484.575  -2652.827    285.678   1687.615               -151.076                 47.955                108.207    885.240       -969.290            -5.926                 -37.362   -920.410         -146.472        -80.434       -241.769       -104.096     -64.439       -6.398                   29.051      6.046        33.065       223.832        416.652   -111.996      74.324   -101.507       0.000         44.154        267.608  30254.000 HKH_2021_1IRA_run_2_complex.202_chain_B_7_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.202_chain_B_7_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.202_chain_B_7_0000100001_0000001_0
RT -0.0578868 -0.476623 0.8772 -0.673854 -0.629657 -0.38659 0.736593 -0.613483 -0.284726 -25.7638 -13.6984 -3.65302   HKH_2021_1IRA_run_2_complex.202_chain_B_7_0000100001_0000001_0
RT -0.129869 -0.724436 0.676998 0.963082 -0.254547 -0.0876346 0.235813 0.640623 0.730749 -11.1249 -2.55439 -12.0209   HKH_2021_1IRA_run_2_complex.202_chain_B_7_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_2_complex.202_chain_B_7_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.202_chain_B_7_0000100001_0000001_0
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LeZ1GCpHwSH0kkEmQNFAICNYETHEft2lQ+YFICNVEJHk5DplQ4uDICl5CAHEndxlQb9RJCZAPUHkwvDmQm5aJClxueH02ePmQ7uvKCNaPfHUEfbmQon5KClNzpHExfnmQR2LMCRWVqH0+hzmQpY7GC9TJQH0JuTmQXR6HCpC6ZHEb7rlQHpVJClWzNH0maPmQRvIKClgfTHkmD5lQJ+XJC5ERlHkA8DmQIEmIChapfH0CvamQSSzKCZooYH002mmQ4XkLC5ibeHEYFQmQre3KCZeXwH0DEcmQzvEKCpPrqH0/vymQhzPMC1ZcxHEcQ7mQFKOMCd+UkHUuU+mQRb9MCxFopHkCPpmQ HKH_2021_1IRA_run_2_complex.202_chain_B_7_0000100001_0000001_0
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LSDyECZqooGEaV+kQSDyFCZqooGEaV+kQSDyECZqowGEaV+kQ HKH_2021_1IRA_run_2_complex.202_chain_B_7_0000100001_0000001_0
SCORE:  -1467.130  -2663.001    287.895   1696.051               -150.096                 47.874                105.264    883.231       -970.783            -6.038                 -37.172   -916.593         -146.459        -78.580       -236.591       -106.532     -61.453       -5.884                   28.708      3.716        33.823       227.422        424.801   -111.276      73.071   -101.507       0.000         44.749        268.230   9296.000 HKH_2021_1IRA_run_2_complex.302_chain_B_7_0000200002_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.302_chain_B_7_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.302_chain_B_7_0000200002_0000001_0
RT 0.0555256 -0.312027 0.948449 -0.553021 -0.80051 -0.230981 0.831315 -0.511687 -0.217006 -28.5519 -11.6074 -4.61205   HKH_2021_1IRA_run_2_complex.302_chain_B_7_0000200002_0000001_0
RT -0.182657 -0.728582 0.660155 0.942133 -0.321687 -0.0943538 0.281107 0.60472 0.74518 -11.1843 -2.95615 -12.1074   HKH_2021_1IRA_run_2_complex.302_chain_B_7_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]ALFLGIH[HIS_D]GGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_2_complex.302_chain_B_7_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.302_chain_B_7_0000200002_0000001_0
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L4XCFCxOCrGEVV6kQ4XCGCxOCrGEVV6kQ4XCFCxOCzGEVV6kQ HKH_2021_1IRA_run_2_complex.302_chain_B_7_0000200002_0000001_0
SCORE:  -1447.276  -2721.775    293.200   1770.454               -152.751                 49.900                109.991    923.922      -1001.131            -6.075                 -38.733   -950.501         -152.490        -76.741       -237.385       -121.827     -72.686       -6.435                   35.578      8.677        40.470       222.914        432.572   -112.187      77.898   -101.507       0.000         54.514        284.862  11168.000 HKH_2021_1IRA_run_1_complex.136_chain_B_1_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.136_chain_B_1_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.136_chain_B_1_0000100001_0000001_0
RT 0.797547 -0.255621 -0.546422 0.598862 0.444633 0.666083 0.0726925 -0.858463 0.507697 -3.48647 -6.521 -21.316   HKH_2021_1IRA_run_1_complex.136_chain_B_1_0000100001_0000001_0
RT -0.092498 -0.727347 0.680007 0.976223 -0.200706 -0.0818878 0.196042 0.656264 0.728618 -9.29571 -2.9113 -11.6321   HKH_2021_1IRA_run_1_complex.136_chain_B_1_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.136_chain_B_1_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.136_chain_B_1_0000100001_0000001_0
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LOp9ECtanWIk84dkQCXTFCxM6UIkBaIkQ6ttECZzgPIUDJDkQ3aBFCZUlLIEO0NkQQz1GCdiZUIE+QGkQxRPHCVhSSI0J7vjQDWfHCVFwZIEKoKkQ4BlFCZDnVIEkMqkQ0M7EClo3XIkOG9jQTlMHClLgRIUQ/RkQNkTICRR5RI0DXvjQXbzGCVWXOIkAGtjQDX6GCpPDVI0fijjQdrkICJyWZIU0gJkQWHJHCZOqcI0U/+jQPUOHCtIFbIUQtakQ HKH_2021_1IRA_run_1_complex.136_chain_B_1_0000100001_0000001_0
LaX7DCNFPPI0S+xjQA5UDCJyLKIkuMrjQU7CEC1k5HIENzXjQy7zDCFiUDIkomRjQmz1BCpy2KIUGXljQ0UuBC1toOI0YHUjQzsCBClJvMIUyi4jQ3BsDChtnSIku4pjQTFaDCZjTHIkvN4jQ9rcBCtYAHIkEBgjQDB4ACt0IOIk+GNjQ8pAACF3HNIU/M0jQJkIBCRTzJIEa/EkQ/1aBC1ykQIk4J+jQ HKH_2021_1IRA_run_1_complex.136_chain_B_1_0000100001_0000001_0
LCg6ECl/ILI02NOjQcypFCdOnJI0rF7iQtA8GCJ1rGI0/iAjQZowHCN8rIIEw7MjQmLAGCpMjOIkz1tiQpo0ECBybRIUWDkiQwiSFCBXPWIU17WiQiTHECxtQZIkhDNiQdIkEClHCeI0KmAiQhbDFC1cxOIEQwUjQBCCFChS7GIEelxiQHwhGCJRZRIkx73iQ0crGC5aaNIUR/giQBFSECJ6qOI0pqZiQIcJEClwwSIkDrwiQfz2FClD9YI0ZKhiQdj8FCBT2UI0fGKiQtkkDCZ+kWIEtaCiQqccDCJ8kaIU6wZiQvqwDCtl6fIUiU6hQx2DFCp/kgIE4VKiQOZLFCBY2cI0Jp0hQ HKH_2021_1IRA_run_1_complex.136_chain_B_1_0000100001_0000001_0
LnDGHCR/7BIUNa3iQjGRICNsQ9HUuN7iQGg4ICxHs4HUWKniQqAOICRyc2HEtTXiQpi7HCBovzHU4iJjQKHdHCJCg2H0jTfjQCSHGCNa+3HkiFjjQr1VICZqg3HkAOwjQVJqFCZic6H0GG3jQ9Z4HClZ/5HEXWEkQfIiGCx+c7HE8uHkQvkVGCVUiAIEm7tiQKDBJCJvEBI028CjQd1KHCZH3uHE4wBjQcv0ICxm3uHE2ELjQx2ZFCdeO3Hk70VjQpLaJCB7S2HEaatjQrLmECxYo7HkVj5jQjBlICRqz6HU2gRkQSVKGCZga9HEMeXkQ HKH_2021_1IRA_run_1_complex.136_chain_B_1_0000100001_0000001_0
LOQKKChqt2H07vniQvAxKC9eBxH0tSWiQUVvKCl0ZlH0cRdiQtgELCJOziHUspviQYkLMCBsf0HU47SiQ87YMC1ky/HEqfMiQf1sMCtgjDI0jJciQgjTMCNyeBIUda3hQuE8MCF1tIIUaBXiQPWiMCFOxGI0TVyhQft2MCVlXKIU3GCiQyDGNC90oPIE028hQVMuKC1nz4HEel0iQ6wLKCFf9xHUiqHiQElrMClhVzHEy5hiQSIpMCxXXvHEoFHiQRoxMChlRCI0FysiQN5DMChCN9H0d4qhQDLNNC9GfLIkxajiQwreMC9FHII0z9hhQD5ZNC1llRIUwPJiQ HKH_2021_1IRA_run_1_complex.136_chain_B_1_0000100001_0000001_0
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LrryLCRcvGHEH3FiQECTMClQIAH0vT0hQrmyMC1yL1GkQT7hQe4YNCFc+zG0nVMiQi6bNCFLCGH0e0ohQP5ANCZarQHkEyehQzOIOCZ5QWHEmZShQnAVPC9JjUHkb/VhQ8euNC96IdHEtiDhQ/0UMCRMzHH09wTiQ2JfLCB32+GEs8ohQhSPOChynHH0oK0hQbG2NCtC8AHUvOchQnoLMCx0OPHk07ThQU2sMCVwDWH07irhQfpZOC13HhH0Cx6gQw1vMC5RXeHE4DBhQ HKH_2021_1IRA_run_1_complex.136_chain_B_1_0000100001_0000001_0
LawkMC56QtGkokthQiPANCpCUiGUsqxhQ7tgOCFiVhGEwNvhQF+EPC5fFmG0veghQ3ATMCNanaGkTXihQj8dMChj2OGkp1nhQYFtLC1FtHG0nJZhQPpKLCBlpLGU4uJhQ4XnLCFwf8FUggdhQP/EMCR41uGkF2fhQcKvMCtqGgGUZ4BiQ0bPLCNwXcGEm9hhQhzrMC1czbGUgRShQfjhNCd2uMGEC3mhQN1IMCt9jNGkzT4hQ HKH_2021_1IRA_run_1_complex.136_chain_B_1_0000100001_0000001_0
LCWJPCVZObG0ag9hQhFlQC969YG0rK8hQFj9QCFFhUGkJQmhQp8BSCRVMXGk7BehQBZfQChFuLGUKphhQbnBRCFbzQGkRKNiQWxJRCZy3UGU5nkiQBrFRCpaWeG0UwoiQ6IXRC54DOGELYyiQMNmOC5R8XG0srJiQx2HRCZ3agGUyq+hQaqTQCR5NKGUqMNiQGB/RCt5cNGkWYIiQ HKH_2021_1IRA_run_1_complex.136_chain_B_1_0000100001_0000001_0
LxJiGClGHrGk9UElQxJiHClGHrGk9UElQxJiGClGHzGk9UElQ HKH_2021_1IRA_run_1_complex.136_chain_B_1_0000100001_0000001_0
SCORE:  -1467.175  -2647.210    289.011   1707.281               -151.021                 49.249                106.967    891.920       -973.105            -6.130                 -38.434   -924.917         -149.676        -80.927       -242.125       -118.580     -66.757       -6.613                   38.955      4.169        34.265       221.254        418.022   -116.371      75.097   -101.507       0.000         46.742        273.265   5964.000 HKH_2021_1IRA_run_2_complex.406_chain_B_11_0000400004_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.406_chain_B_11_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_2_complex.406_chain_B_11_0000400004_0000001_0
RT -0.514395 0.614649 -0.598001 -0.771183 -0.636549 0.00909504 -0.375066 0.465847 0.801444 -9.47474 -36.9229 -23.3184   HKH_2021_1IRA_run_2_complex.406_chain_B_11_0000400004_0000001_0
RT -0.300533 -0.81997 0.487165 0.936617 -0.350164 -0.0115752 0.180079 0.452808 0.873233 -9.32068 -1.50963 -13.1308   HKH_2021_1IRA_run_2_complex.406_chain_B_11_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_2_complex.406_chain_B_11_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_2_complex.406_chain_B_11_0000400004_0000001_0
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LUo5LC1uF0G0zjxmQEIvLCphzuGUaMGnQZbyMChJ8yGkTvVnQ3HgMCR5A1GUdconQ3s9NC9RjxGErsQnQTp5LC9rmiGEjlEnQTOwKCRJsbGUk06mQvMnJCZ+GfGkIX4mQ3cELCxzjSGUNQ2mQ6LHMCxxpvG0EPkmQ10vKClhrwGEKfMnQtOzMCR99gGElO7mQh9EMCxXofGUJkUnQ HKH_2021_1IRA_run_2_complex.406_chain_B_11_0000400004_0000001_0
LQDNHCtwCfGkYwskQQDNICtwCfGkYwskQQDNHCtwCnGkYwskQ HKH_2021_1IRA_run_2_complex.406_chain_B_11_0000400004_0000001_0
SCORE:  -1454.405  -2676.460    286.786   1747.607               -152.627                 49.106                107.945    907.758       -988.746            -6.171                 -38.942   -946.788         -145.498        -77.322       -236.690       -121.947     -69.267       -6.575                   34.059      5.145        34.045       223.894        427.809   -115.267      76.681   -101.507       0.000         48.853        279.715   8869.000 HKH_2021_1IRA_run_1_complex.111_chain_B_19_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.111_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_1_complex.111_chain_B_19_0000100001_0000001_0
RT -0.410388 0.297732 -0.861938 0.799608 0.571908 -0.183162 0.438416 -0.76438 -0.472773 -23.3894 -8.35516 -10.5426   HKH_2021_1IRA_run_1_complex.111_chain_B_19_0000100001_0000001_0
RT -0.0717756 -0.9051 0.419098 0.9723 -0.1572 -0.172976 0.222442 0.395073 0.891312 -11.0286 -1.74542 -9.82625   HKH_2021_1IRA_run_1_complex.111_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]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.111_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_1_complex.111_chain_B_19_0000100001_0000001_0
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LV+02BdLhoF0H0BoQFbl0BZC82Fk5uAoQiIL0BN5F+FkClqnQ6I51BZGUEGk0MhnQp0H1BNlcFGkApHoQpq2yBZSoNGkHqGoQuri1BxPECGkcJToQmxs4BFwyuFUEZCoQTbyyBNWyuF05hDoQSa72BhnSJG0/yEoQ5cXzBBqhUGk7kLoQyhnyBx8QQGUjt8nQuc/wBtiIKGk6dJoQm/+1BFVEJG0h3XoQa5vzB5kZ8F0KKWoQ5SO3BlMC5FU7pToQ HKH_2021_1IRA_run_1_complex.111_chain_B_19_0000100001_0000001_0
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L/KgECF0JiGkP1ZlQ/KgFCF0JiGkP1ZlQ/KgECF0JqGkP1ZlQ HKH_2021_1IRA_run_1_complex.111_chain_B_19_0000100001_0000001_0
SCORE:  -1559.247  -2630.910    266.256   1688.272               -148.628                 47.287                106.670    890.391       -965.959            -5.681                 -36.744   -952.454         -155.756        -80.940       -241.351       -126.015     -73.426       -6.320                   19.225      5.260        31.575       221.500        420.763   -112.771      75.453   -101.507       0.000         45.198        261.363  36834.000 HKH_2021_1IRA_1IRA_bound_native_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_1IRA_bound_native_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_1IRA_bound_native_0000100001_0000001_0
RT -0.612445 -0.721418 -0.323215 -0.649148 0.225632 0.726428 -0.45113 0.654711 -0.606494 -32.4579 -26.5661 -23.0106   HKH_2021_1IRA_1IRA_bound_native_0000100001_0000001_0
RT -0.216575 -0.699483 0.681042 0.942754 -0.331055 -0.040218 0.253594 0.633345 0.731139 -11.0012 -3.40394 -10.2633   HKH_2021_1IRA_1IRA_bound_native_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermTruncation]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:NtermTruncation]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_1IRA_bound_native_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_1IRA_bound_native_0000100001_0000001_0
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LqBPMCl/PaHkLGlmQT5CNC5HOfHEhfUmQfPROCJfoYH0npOmQpvzOCxGxSHkPBcmQkcdNClRjqH0eNbmQ/ncOCtTcrHUcGumQyhxNCNw/qH003DnQlRpMCxAdnHEsLFnQi3YOCF+RuHU9JTnQBaOMCZJidHEEH0mQqIcMCRpEgHEfOGmQWI7NCteauHkTgNmQ7elMChlLvH0qNfmQkAMPC5mFlHEHJtmQ4n+OC5uAzHUyqsmQ HKH_2021_1IRA_1IRA_bound_native_0000100001_0000001_0
LmeuOC12AaHkCz6lQLN+PCRwHVHUFXzlQiVMRC9KKaHENH+lQ/OOSC5A6UHUtgAmQo4SRCpM9jHEHI9lQ2tJQC5VIWHUa+alQIPUPCxghOHUJ4MlQlfuOCtXDHHkMxUlQxQVPChwIQHkMj5kQd6KOCFQteHEFswlQcs8PCtdpMHE3g3lQXg5PCN/SeHkrSWlQ56MRCBC8UH0gFXlQ HKH_2021_1IRA_1IRA_bound_native_0000100001_0000001_0
LWh7ECZCJvGkoIOlQWh7FCZCJvGkoIOlQWh7ECZCJ3GkoIOlQ HKH_2021_1IRA_1IRA_bound_native_0000100001_0000001_0
SCORE:  -1464.844  -2635.605    287.127   1693.251               -150.077                 47.350                105.537    889.757       -965.396            -5.666                 -35.128   -929.769         -151.790        -83.110       -238.104       -111.940     -74.289       -6.208                   32.808      7.727        34.051       217.927        420.648   -113.307      73.873   -101.507       0.000         54.301        272.697  21510.000 HKH_2021_1IRA_run_1_complex.103_chain_B_4_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.103_chain_B_4_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.103_chain_B_4_0000100001_0000001_0
RT 0.0738794 -0.154063 0.985295 -0.914574 -0.404383 0.00534649 0.397613 -0.901521 -0.170777 -31.5497 -21.3186 -8.31238   HKH_2021_1IRA_run_1_complex.103_chain_B_4_0000100001_0000001_0
RT -0.16716 -0.72192 0.671483 0.944907 -0.311719 -0.0999065 0.281438 0.617789 0.734254 -10.8815 -3.01424 -10.9373   HKH_2021_1IRA_run_1_complex.103_chain_B_4_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.103_chain_B_4_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.103_chain_B_4_0000100001_0000001_0
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LE7vAC1mSXG0D7doQiwC/BlnQTGERDZoQpPI/BRqBUG0g3MoQeMW+BRhhMGUgVHoQmLn8BJzPZG0IldoQhEC6BZW0VG0H8XoQZvb8BBlzWGEfdpoQAB3AC50LfGU5WfoQ8O1+BpL2KG0GNboQq338BVH1hGktXcoQkkW4B1PLaGEMYboQw7I6BRKjXG0vbPoQE1u5BhuQNGEODZoQthv6BFlGbG027soQstK8BBSQOGESmqoQAbQ+BhjRZG0jYtoQ HKH_2021_1IRA_run_1_complex.103_chain_B_4_0000100001_0000001_0
LBx7/BZ4QdG0kpIoQWcCAC9xueGUPM6nQtXfBCVNffG00TznQrIVCCBx6jGEZv+nQ9Of+Bt6aoGkJBznQc+g7Bd4CoGU/j4nQPet5B9iEdGk0ZrnQi9o5BdY5gGExnPnQv/PACl7RjGU8fNoQBGP/BJttXGkwUynQovV/BxSmvG0C+5nQMjq+BhaDpGUQKinQ+NS7BJuNnGUd4EoQrul6BRDkvGk7uznQDHl4BB41aGkDYGnQFfn4Bx0ioG0z4NnQLIq7BV6lhGkzmJnQ HKH_2021_1IRA_run_1_complex.103_chain_B_4_0000100001_0000001_0
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LEWdGCh0rpGkxuymQDtrHCJlsnGko9mmQC4cHC5s6gGEdJTmQyu3GCF3IYGEnWUmQUbtICB+aiG0La1mQWFJJCpuSpG0L8HnQBnRKCdVHkGkl3TnQS9oKCpNGqGkOaonQYmILC5PN1GUuNknQcsLGCxsBlG0HH/mQDeFIC1kXvG0ckhmQVzTICls9aGk2q7mQxVmJCJElgGkmDsmQrXdJCRcBxG0nvBnQdHTICV8hqG09tSnQdQBKCR/1bGkrsXnQJ3ILCpLIkG0DYJnQ1xwJCVzfqGUAsynQgBbLCREplGEwnwnQaPXLChDx4G0dRynQPx9LCZX60GUS4anQ2naKCtDf5G0ZvcnQ HKH_2021_1IRA_run_1_complex.103_chain_B_4_0000100001_0000001_0
LJA9HCZQDlG07HBmQS32HCdPEgGUdGslQXjJJCp3kfG0XoflQiZEKCZV6lGkFzilQ7K3GC987lGUDpdlQ2MdFC1i1lGk3yklQ2s+ECtZntGE+EylQp7lEC5n+dG0T6dlQ7krDCtLmtG0fj4lQykSDC5Y7dGkiUklQ060CCNn0lGEOyxlQOqZICBvasG0OACmQoiiHCBe+XGkadulQGbLHCRxPuGUzCclQ5r5GCNBZiGkfrNlQpDqFCFB5zGkCr3lQZW9EC19xXGkELTlQv9VDCR4xzGEXIDmQxnoCC1ApXGURyelQH3yBC1i5lGUkD3lQ HKH_2021_1IRA_run_1_complex.103_chain_B_4_0000100001_0000001_0
L35NJCVVCYGkH+QlQUxTKCJE6XG0j6BlQ+itJCVTCcG0d8skQsQnIC5KxYGkjgmkQVZ5KCZS6MG0EH/kQ2kGMCV2SNGkOexkQs8VNClX5OG00x6kQwU/LCVybMG0V+bkQaedOCtTYPG0GIukQO4FNCZd1MGEtXPkQnCVOCRnSOGE0NYkQrWcPC5stOGEgYLkQESdIC5xmSGkAcPlQ3wFLCpQbdGkI/GlQVjKLCtbiJGkEmOlQhWKKC9mqHGE3s3kQT/bNCJlwPG0nHMlQ3gALCRoXLG0E2UkQjScPCVfmQGkWV1kQ+L/MCh3/LGEcR+jQNlLPCtquNGEpc8jQ HKH_2021_1IRA_run_1_complex.103_chain_B_4_0000100001_0000001_0
LhdYKC9YkjG0gbikQKgyJC5s6nGEh9OkQ6N2KCRl2pGEpw9jQblvLCZinwGUOPAkQvvDJC98IyG0KgVkQk+JICteI3G0z+FkQHTDHCxY3xGEDu/jQp3WIClANBHEuz+jQGoJGC5he2G00cyjQngdHC1fFGHEBhxjQM9VGCNinAHktWrjQv6RLCd3ImG0LynkQkrEJCJdJiGUKlIkQpSeICVIcwGU/zjkQS+yJC5xD4GUy+ZkQVf5GCBU3pGkloFkQobOJCB+UFH0xBEkQeCSFCJDEyGkWqtjQ7goHClYPOHksAsjQvVnFCdLSEHUr0gjQ HKH_2021_1IRA_run_1_complex.103_chain_B_4_0000100001_0000001_0
LmuvKCdmyjG0UIsjQ50wLC1GckGUpObjQQSPLChkyjG0LXEjQXHXKC5qVdGkWU/iQQozMCVKtbGU1oejQUa8NChMrbGE0sOjQVe/OCR8hTGUu2TjQ5R1OCJ+wMGkYDijQ3wFQCRAFUGkcNIjQWb9JCdsfeGkxDrjQW3QMCBvIsGk0zcjQyxPNChyvcG0BYujQFiUMC1M6TG0jJejQWxjNCBjsZGkA5+iQYfaOCJohjG0geOjQew1QCh65OGUPnKjQsQKQCNfqZGkE08iQ HKH_2021_1IRA_run_1_complex.103_chain_B_4_0000100001_0000001_0
L24zLCFrfqGE/d2iQFzcLC946qGkB3fiQfW0LCJAogG0qRUiQ3w7MCdWncGUz2WiQQVJMCJcU0G0J4UiQFzsLCB2J2Gk/59hQVcXMC5Wb/GE6bzhQiWMNCNAbEHk4U9hQ4rBMCNctBH0mahhQ38hMCFjgvGkwy7iQ0iYKClWHsG0GeeiQAv9LChzk7GElxdiQbEONCJj8yGkNwUiQnE7LCBeDvGEyb0hQAlnKCpKT3GEXx9hQ HKH_2021_1IRA_run_1_complex.103_chain_B_4_0000100001_0000001_0
Lta5KClRtcGUx7GiQOBHLCVpLTG0Kw5hQsLbMC9+qTG0wVthQQ2GNCtAhLG0FerhQcJgMC5FkaGEgVfhQWB+JCJgrRGkugphQtLnICVifNGkVfyhQw3hICV7LKGksqEiQDGqHCBHcNGEOOmhQn1/JCBimgG0rJGiQtAJLCtHPMGkBSEiQTvxJC5LYZG0E1hhQiVTKCJGOMGkgCdhQ HKH_2021_1IRA_run_1_complex.103_chain_B_4_0000100001_0000001_0
LFARFCJ7iqG086GlQFARGCJ7iqG086GlQFARFCJ7iyG086GlQ HKH_2021_1IRA_run_1_complex.103_chain_B_4_0000100001_0000001_0
SCORE:  -1479.771  -2626.071    279.879   1693.575               -149.828                 47.207                106.934    880.023       -966.302            -5.601                 -34.987   -923.211         -151.320        -81.530       -241.385       -111.745     -63.469       -6.298                   31.249      5.464        31.593       218.274        414.486   -114.434      74.944   -101.507       0.000         49.596        264.695  10145.000 HKH_2021_1IRA_run_2_complex.1939_chain_B_8_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.1939_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.1939_chain_B_8_0000100001_0000001_0
RT -0.637497 -0.518381 0.569981 -0.386738 -0.424542 -0.818656 0.666357 -0.742324 0.0701666 -27.2461 -2.75944 -8.90966   HKH_2021_1IRA_run_2_complex.1939_chain_B_8_0000100001_0000001_0
RT -0.180367 -0.855723 0.484981 0.965039 -0.249291 -0.0809568 0.190178 0.453424 0.87077 -11.5596 -3.03024 -11.5697   HKH_2021_1IRA_run_2_complex.1939_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]ALFLGIH[HIS_D]GGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_2_complex.1939_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.1939_chain_B_8_0000100001_0000001_0
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LPt7GCxfqvDkeQNiQHOTHCZdhCDkTrMiQy/tHC19TyC0toiiQdKwICJtE/CEUhriQewbICNZV6CkQl8hQ6r8HC1xdID0/emhQvq3ICRWDKCEbL9hQk1/IClDTIDUKNVhQdNpHCp0KDEUI9OiQSobGCx5EwC0PiHiQgiRJC99HODEMhAiQs4HHCRHH0CUQAihQTykHCRCKpDE5onhQG+qJChmTECk67xhQtPOJCVAeBCkGINiQniBIC5xsrBUZD5hQcAjICB4UTDUSTGhQT0zJCdT2dDU5sZhQz9YJChHWoC0Q3ShQ HKH_2021_1IRA_run_2_complex.1939_chain_B_8_0000100001_0000001_0
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LC86ICx5RnAESSMjQrevJCBEO3+DU+OjQWUZJC9aZ+8DM7jjQQFZJCl9ew+D030jQPRPLCFT0j/z08OjQdAFMCZ/xB8jkoSjQTMmLC9DraA0wE6iQHLJJCtsFbBEXWVjQiuiJCZ9FB9DJ1BjQC2cLCRxWeA0t6bjQ8iHNCRi/B9j3hSjQ+l1LCJjOh1zd8hjQJ+3LChDXR5by2FjQUAqMCp47qAEVH6iQ1LZLCFUXd/zQmtiQagALCdRrUB0Bu3iQ HKH_2021_1IRA_run_2_complex.1939_chain_B_8_0000100001_0000001_0
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LmdsECRIlqGEfjElQmdsFCRIlqGEfjElQmdsECRIlyGEfjElQ HKH_2021_1IRA_run_2_complex.1939_chain_B_8_0000100001_0000001_0
SCORE:  -1459.819  -2670.067    290.434   1693.456               -151.427                 48.795                106.485    890.441       -972.004            -5.484                 -35.029   -920.038         -149.211        -79.399       -235.904       -117.541     -63.994       -6.356                   37.653      7.625        33.288       227.490        420.040   -112.112      76.405   -101.507       0.000         53.307        274.835   1475.000 HKH_2021_1IRA_run_2_complex.103_chain_B_16_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_2_complex.103_chain_B_16_0000100001_0000001_0
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_2_complex.103_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_2_complex.103_chain_B_16_0000100001_0000001_0
RT 0.18615 -0.0897904 0.97841 -0.882973 -0.452056 0.126506 0.430937 -0.887459 -0.163433 -27.7364 -24.8998 -9.80615   HKH_2021_1IRA_run_2_complex.103_chain_B_16_0000100001_0000001_0
RT -0.0961926 -0.893341 0.438964 0.963652 -0.194012 -0.183666 0.249241 0.405341 0.879533 -10.8765 -2.88836 -10.9478   HKH_2021_1IRA_run_2_complex.103_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]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.103_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_2_complex.103_chain_B_16_0000100001_0000001_0
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LRGvFC9X6mGkMI/mQZ68GCpmrkGEb+ymQxqrGCpRfdGU6ufmQidCGClRCVGkD4hmQAAAIChknfGUoXBnQVLlIC1BsmGEBfSnQm5iJCZDIgG0C/fnQTlWKCV+vmG0DHwnQorfJCBWjsG0XBAoQCyfFCJqKiG0piLnQJEWHCp1OsGkJ6smQ/hiHCxvAZGkNwJnQkC0IC9kdcGUWu3mQ6WHJChvTtGE18KnQuuxHCdZ5pG0/TcnQ1F/IChwCaG0GsonQBhPKC5GEcGUvUVnQDMALCdrPhGE5p4nQNZ+KCd4isGEmpnnQfiHKCFsgwGkrWFoQw85IClT4xGUOn4nQsI7IC54anG0zKEoQ HKH_2021_1IRA_run_2_complex.103_chain_B_16_0000100001_0000001_0
LqzMHCNO5gGU0JNmQBRCHC9CObGEo84lQ3hRICBoiZGURJrlQqLNJCdoAgGUhgqlQQ2CGCFxPhGk7pqlQzNtECdPWiGk15zlQTCYECpsPrGUDd/lQ/jxDChEfaGkUfxlQjeJDCVXMsG0tZImQngjCCJhbbGE7k6lQzLPCC91PkGUoBGmQ2lrHChdFoGk+JNmQ1RpGCBcYTG0Mm8lQF0bGCVHOpG0vUnlQkQ9FClREdGUhbblQIZHFCxsmxGkXsBmQ2kBECtWaTGkGPolQ+V6CC1uTzG0VqRmQQu1BCJrJVGUqy4lQnDRBClq7kGEPONmQ HKH_2021_1IRA_run_2_complex.103_chain_B_16_0000100001_0000001_0
LzIOICZN6QGkR5elQEgJJCpJoOGEPsNlQNErICp/fVG0dd7kQh7eHC11VVG0cc2kQixDJCRD8CGU07GlQ0z6JCJMr/FEAC0kQBXQLC5Z66F0lf2kQV0VJCVAv+FEQ+fkQ3JAMCBa50F05ElkQLNFKCNl44FUWrOkQ7OaLCZBxzF0rJRkQuWKMCBljtFEMw/jQg/bHCdU1LGks5glQCfKKCNQ7QGk4ISlQfOUJCpRr7FkdRUlQ1tBICpFIBGEG0ClQC4tLC1lu7FUuMGlQMFSIChqSBG01+dkQhpDNC9L9wFUR/mkQ3gnJC5/D4FEcA/jQGZDNClVHqF0AXEkQ HKH_2021_1IRA_run_2_complex.103_chain_B_16_0000100001_0000001_0
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LlANKClQDcGkjW/jQ5EVLClHFbG03XwjQZGALCNV4cG0MDZjQNwJKCtodXGULwPjQMb/LCpZJQG0/1yjQvdGNC1xZNG07qijQp+VOChkPUG02WkjQyD/OC58AVG0DN1jQOosOCFKRZG0/aSjQEcXJCZuTXGk159jQCXEMC9TFhG0dy0jQuSZMCh2VPGUy7CkQduOLCVXIKG0fwwjQXsZNCRbLFGkQmljQpytMCZICOGU4cSjQH+gPCx/4dGE8DSjQXDIOCN4RYG0LuEjQ HKH_2021_1IRA_run_2_complex.103_chain_B_16_0000100001_0000001_0
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LpZxKCdnJbG0CkciQgJxKCpcNSG06hNiQq46LCxiITG0ni9hQD7iMClYHLGE163hQmz9LChTObGUPYyhQpNaJCB0DSG0pwBiQU3HJCFCBIGEdyzhQ7stICxj5/F0LC9hQVrOJCFGbIG0vTghQYQ+JCVBPgG0HNciQSo4KCpizKGkJjWiQ9RnICdd3SG0roNiQqUWJCllIZGUhj3hQ HKH_2021_1IRA_run_2_complex.103_chain_B_16_0000100001_0000001_0
L9/EFCBEYpGEvWMlQ9/EGCBEYpGEvWMlQ9/EFCBEYxGEvWMlQ HKH_2021_1IRA_run_2_complex.103_chain_B_16_0000100001_0000001_0
SCORE:  -1450.046  -2637.436    292.304   1700.245               -151.752                 49.467                108.616    899.657       -971.476            -5.826                 -36.076   -934.714         -148.468        -75.426       -242.133       -123.131     -69.110       -6.485                   40.030      4.530        33.506       218.722        416.843   -112.772      75.601   -101.507       0.000         48.338        278.407   7774.000 HKH_2021_1IRA_run_2_complex.1749_chain_B_2_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.1749_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.1749_chain_B_2_0000100001_0000001_0
RT -0.661311 -0.445051 0.603819 -0.746115 0.473268 -0.468327 -0.0773384 -0.760228 -0.645037 -31.2233 -15.9805 -10.3609   HKH_2021_1IRA_run_2_complex.1749_chain_B_2_0000100001_0000001_0
RT -0.214789 -0.858625 0.465434 0.94869 -0.296655 -0.109462 0.232061 0.418042 0.878287 -12.426 -2.32091 -12.5691   HKH_2021_1IRA_run_2_complex.1749_chain_B_2_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QHKEKLWFVPAKVEDSGHYYC[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.1749_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.1749_chain_B_2_0000100001_0000001_0
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LEesDC91ZmGkX0vkQEesEC91ZmGkX0vkQEesDC91ZuGkX0vkQ HKH_2021_1IRA_run_2_complex.1749_chain_B_2_0000100001_0000001_0
SCORE:  -1513.594  -2676.538    292.320   1713.078               -149.930                 49.265                105.126    898.927       -980.004            -5.807                 -36.979   -937.445         -151.848        -81.619       -238.820       -116.799     -71.668       -6.385                   31.471      7.004        33.396       222.518        416.654   -117.212      76.203   -101.507       0.000         42.948        270.058   1196.000 HKH_2021_1IRA_run_2_complex.117_chain_B_20_0000100001_0000001_1
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_2_complex.117_chain_B_20_0000100001_0000001_1
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_2_complex.117_chain_B_20_0000100001_0000001_1
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.117_chain_B_20_0000100001_0000001_1
RT -0.386011 0.0144601 0.922381 -0.767436 0.549803 -0.329786 -0.511896 -0.835169 -0.201132 -30.3715 -30.0737 -14.9079   HKH_2021_1IRA_run_2_complex.117_chain_B_20_0000100001_0000001_1
RT -0.0885727 -0.765406 0.637424 0.971509 -0.207616 -0.114306 0.21983 0.609138 0.761988 -9.99242 -3.29573 -11.3375   HKH_2021_1IRA_run_2_complex.117_chain_B_20_0000100001_0000001_1
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.117_chain_B_20_0000100001_0000001_1
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.117_chain_B_20_0000100001_0000001_1
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SCORE:  -1346.711  -2755.138    326.607   1795.534               -151.753                 49.968                106.591    935.899      -1016.069            -5.859                 -38.222   -922.826         -150.761        -77.279       -235.949       -123.083     -55.869       -6.522                   55.873      9.854        40.547       222.009        418.413   -113.534      76.548   -101.507       0.000         56.582        313.235   7191.000 HKH_2021_1IRA_run_2_complex.225_chain_B_9_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_2_complex.225_chain_B_9_0000100001_0000001_0
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_2_complex.225_chain_B_9_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.225_chain_B_9_0000100001_0000001_0
RT 0.800222 -0.552936 -0.232176 0.598388 0.761826 0.248099 0.0396946 -0.337465 0.940501 0.73344 -15.8701 -15.9101   HKH_2021_1IRA_run_2_complex.225_chain_B_9_0000100001_0000001_0
RT -0.307357 -0.868735 0.38837 0.94365 -0.330879 0.00667212 0.122707 0.368536 0.921479 -8.58601 -2.32593 -12.6397   HKH_2021_1IRA_run_2_complex.225_chain_B_9_0000100001_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]ALFLGIH[HIS_D]GGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_2_complex.225_chain_B_9_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.225_chain_B_9_0000100001_0000001_0
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