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:  -1498.187  -2623.998    275.614   1686.438               -150.782                 47.803                106.410    882.576       -964.327            -5.698                 -36.495   -924.730         -150.884        -79.407       -239.543       -113.594     -69.427       -6.253                   23.056      3.057        32.502       222.651        419.631   -113.812      74.026   -101.507       0.000         46.572        261.936  19511.000 HKH_2021_1IRA_run_1_complex.709_chain_B_5_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.709_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_1_complex.709_chain_B_5_0000100001_0000001_0
RT -0.887712 0.416229 0.196774 0.340271 0.88105 -0.328582 -0.310134 -0.22473 -0.92375 -34.289 -17.6841 -15.7731   HKH_2021_1IRA_run_1_complex.709_chain_B_5_0000100001_0000001_0
RT -0.198291 -0.728582 0.655628 0.946521 -0.31604 -0.0649375 0.254517 0.607689 0.752286 -10.2178 -3.48946 -12.3023   HKH_2021_1IRA_run_1_complex.709_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]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.709_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_1_complex.709_chain_B_5_0000100001_0000001_0
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LW3+FCh4uvGEEWzkQW3+GCh4uvGEEWzkQW3+FCh4u3GEEWzkQ HKH_2021_1IRA_run_1_complex.709_chain_B_5_0000100001_0000001_0
SCORE:  -1482.688  -2649.365    274.304   1726.673               -153.785                 48.689                110.434    892.453       -977.483            -5.980                 -38.950   -933.216         -149.301        -79.455       -242.299       -109.972     -63.358       -6.540                   30.410      3.334        35.017       224.564        415.198   -113.955      74.256   -101.507       0.000         46.122        261.027   9173.000 HKH_2021_1IRA_run_1_complex.749_chain_B_7_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.749_chain_B_7_0000100001_0000001_0
FOLD_TREE  EDGE 457 160 2  EDGE 160 1 -1  EDGE 160 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_1_complex.749_chain_B_7_0000100001_0000001_0
RT -0.248526 -0.702589 0.666787 -0.222511 0.711386 0.666648 -0.942722 0.0173121 -0.333131 -22.5012 -16.2825 -38.0609   HKH_2021_1IRA_run_1_complex.749_chain_B_7_0000100001_0000001_0
RT -0.740085 -0.144017 0.656912 0.65365 0.0756882 0.753003 -0.158166 0.986676 0.0381208 -1.13154 -13.9048 -9.29347   HKH_2021_1IRA_run_1_complex.749_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]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_1_complex.749_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_1_complex.749_chain_B_7_0000100001_0000001_0
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LUSoBCJLIUGUHLblQUSoCCJLIUGUHLblQUSoBCJLIcGUHLblQ HKH_2021_1IRA_run_1_complex.749_chain_B_7_0000100001_0000001_0
SCORE:  -1458.071  -2618.100    279.631   1677.216               -151.424                 48.729                105.741    892.223       -960.333            -5.198                 -32.156   -929.553         -151.003        -80.198       -241.545       -100.483     -76.136       -6.097                   29.233      4.105        33.522       230.452        419.750   -111.898      73.186   -101.507       0.000         45.722        268.049    245.000 HKH_2021_1IRA_run_2_complex.68_chain_B_10_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_2_complex.68_chain_B_10_0000100001_0000001_0
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_2_complex.68_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_2_complex.68_chain_B_10_0000100001_0000001_0
RT -0.490483 0.792891 0.361594 0.120877 0.472823 -0.872827 -0.863027 -0.384399 -0.327754 -39.0753 -11.418 -25.7381   HKH_2021_1IRA_run_2_complex.68_chain_B_10_0000100001_0000001_0
RT -0.225254 -0.87923 0.419779 0.94098 -0.308036 -0.140253 0.252622 0.363411 0.896724 -12.0603 -2.34404 -11.2251   HKH_2021_1IRA_run_2_complex.68_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]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.68_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_2_complex.68_chain_B_10_0000100001_0000001_0
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SCORE:  -1420.154  -2692.146    305.697   1730.574               -152.806                 50.176                110.852    910.447       -986.389            -5.730                 -35.892   -938.260         -152.771        -80.920       -238.138       -131.616     -64.389       -5.961                   44.043      7.332        33.133       226.407        434.910   -118.268      77.510   -101.507       0.000         59.016        294.542  10201.000 HKH_2021_1IRA_run_1_complex.983_chain_B_1_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_1_complex.983_chain_B_1_0000100001_0000001_0
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_1_complex.983_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.983_chain_B_1_0000100001_0000001_0
RT 0.17 -0.338001 0.925665 -0.36458 0.851115 0.377735 -0.915522 -0.401694 0.0214616 -19.6799 -28.2943 -34.3846   HKH_2021_1IRA_run_1_complex.983_chain_B_1_0000100001_0000001_0
RT -0.237443 -0.875864 0.4201 0.954384 -0.290935 -0.0671443 0.181031 0.384993 0.904991 -12.8595 -1.69296 -9.53488   HKH_2021_1IRA_run_1_complex.983_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.983_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.983_chain_B_1_0000100001_0000001_0
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LlpSxBp6OxFkQ+ynQkkgzBhIymFU//nnQ5n51B92bhFEpa1nQL2f2BpeerF0yzCoQXFp0BBZz0FkNEWnQTzzyBdCb5F0QKFnQSuSxB1TrFGkJ2FnQR3jyBNJ1rF02Q0mQcFjvBdK0HGEXG2mQgjywBh4LwFkmgkmQnmSvBNfBBG0GflmQfCsxBZU7+FkCg7nQQ/wyBlO/XF0RWhnQPwU1Bhg8BGET4cnQN5Y2BBV5sFkiIPnQs4exBpXJLG0kZTnQfJyzBNzcdFUxnzmQUXWuBVe8OGkq72mQJDkwBV3TlFkMJXmQ0n4tBdvuCGE8HZmQ HKH_2021_1IRA_run_1_complex.983_chain_B_1_0000100001_0000001_0
LQJX3B1atRFE/QunQdt65Bpa0NF0ns3nQulw7BNIbbFkxIqnQ7Ri7BJigbFUgcWnQaap6BNXq2E0EL2nQlP54BB4aoEkMWBoQn+x2BZfneEkgu4nQPTY5BZL8kEkU+LoQQjL1B9KNRE0H+BoQ7aw3Bp1hXEkxtRoQnGq1BhUpNE0jtMoQxvB0BJaEAEUMTSoQdhx2BV1/IF0zThnQta+5BxkWTFkIHEoQ83g6BxCCyEUbllnQufs8Bd2a0EUYc7nQLJa2BJaXhEE4vnnQTgC7BpY5sEkj0PoQJFkzBVyUJE0FB8nQ/dI4BN1wUE0iKaoQFKq0BBWs9DUXiZoQ HKH_2021_1IRA_run_1_complex.983_chain_B_1_0000100001_0000001_0
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LXS8DC1TBgG0KhelQXS8EC1TBgG0KhelQXS8DC1TBoG0KhelQ HKH_2021_1IRA_run_1_complex.983_chain_B_1_0000100001_0000001_0
SCORE:  -1495.933  -2683.905    297.607   1708.479               -149.957                 49.342                105.280    899.127       -978.689            -5.373                 -32.814   -939.330         -149.564        -79.677       -241.193       -119.151     -62.381       -6.260                   32.093      5.708        36.389       221.710        418.670   -117.333      74.656   -101.507       0.000         45.038        277.099   8338.000 HKH_2021_1IRA_run_1_complex.117_chain_B_9_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.117_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_1_complex.117_chain_B_9_0000100001_0000001_0
RT -0.340928 -0.0180231 0.939917 -0.763909 0.588037 -0.265811 -0.547915 -0.808633 -0.214246 -28.1077 -31.6509 -15.383   HKH_2021_1IRA_run_1_complex.117_chain_B_9_0000100001_0000001_0
RT -0.0974733 -0.765643 0.635838 0.968576 -0.219867 -0.11627 0.228821 0.604524 0.763015 -9.94051 -3.00595 -11.613   HKH_2021_1IRA_run_1_complex.117_chain_B_9_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_1_complex.117_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_1_complex.117_chain_B_9_0000100001_0000001_0
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SCORE:  -1497.538  -2644.992    273.871   1718.157               -150.727                 48.773                106.033    899.437       -976.670            -5.850                 -37.411   -955.841         -146.266        -78.964       -238.680       -115.525     -71.627       -6.548                   24.404      6.049        32.247       226.318        416.378   -113.063      73.249   -101.507       0.000         52.737        268.482  10163.000 HKH_2021_1IRA_run_2_complex.421_chain_B_6_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.421_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_2_complex.421_chain_B_6_0000100001_0000001_0
RT 0.764974 0.156882 -0.624662 -0.425224 -0.605426 -0.672788 -0.483735 0.780287 -0.396426 -11.5168 -13.8922 -33.8343   HKH_2021_1IRA_run_2_complex.421_chain_B_6_0000100001_0000001_0
RT -0.255552 -0.755131 0.603714 0.945998 -0.324133 -0.00498814 0.19945 0.569838 0.797185 -10.7112 -3.43584 -12.0748   HKH_2021_1IRA_run_2_complex.421_chain_B_6_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEH[HIS_D]KGTITWYKDDSKTPVSTEQASRIH[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.421_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_2_complex.421_chain_B_6_0000100001_0000001_0
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LYfoFCRbNuGEfU4kQYfoGCRbNuGEfU4kQYfoFCRbN2GEfU4kQ HKH_2021_1IRA_run_2_complex.421_chain_B_6_0000100001_0000001_0
SCORE:  -1457.140  -2638.558    285.597   1695.813               -150.396                 48.406                105.264    901.450       -968.707            -5.370                 -35.161   -938.583         -138.148        -79.847       -238.345       -117.188     -72.180       -6.211                   29.967      5.211        37.533       223.550        420.375   -116.375      75.255   -101.507       0.000         50.495        270.520  12043.000 HKH_2021_1IRA_run_1_complex.885_chain_B_6_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_1_complex.885_chain_B_6_0000100001_0000001_0
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_1_complex.885_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.885_chain_B_6_0000100001_0000001_0
RT -0.841952 -0.231062 -0.487573 0.440903 0.226235 -0.868575 0.311001 -0.946271 -0.0886034 -22.9085 -3.77405 -11.2175   HKH_2021_1IRA_run_1_complex.885_chain_B_6_0000100001_0000001_0
RT -0.309903 -0.728302 0.611176 0.901371 -0.429563 -0.0548349 0.302475 0.533903 0.789593 -11.0314 -2.63111 -11.3403   HKH_2021_1IRA_run_1_complex.885_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.885_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.885_chain_B_6_0000100001_0000001_0
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L1fiFC57tkG0htFlQ1fiGC57tkG0htFlQ1fiFC57tsG0htFlQ HKH_2021_1IRA_run_1_complex.885_chain_B_6_0000100001_0000001_0
SCORE:  -1447.148  -2670.307    289.816   1722.745               -151.136                 49.400                107.046    900.970       -980.338            -5.822                 -36.392   -924.714         -151.743        -80.302       -239.832       -114.766     -59.835       -6.139                   34.785      4.994        32.716       231.628        419.872   -114.391      73.533   -101.507       0.000         44.031        278.541  12189.000 HKH_2021_1IRA_run_2_complex.590_chain_B_11_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_2_complex.590_chain_B_11_0000100001_0000001_0
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_2_complex.590_chain_B_11_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.590_chain_B_11_0000100001_0000001_0
RT 0.274539 -0.120899 -0.953945 -0.87001 -0.453741 -0.192877 -0.409526 0.882894 -0.229753 -4.28936 -24.9929 -29.5105   HKH_2021_1IRA_run_2_complex.590_chain_B_11_0000100001_0000001_0
RT -0.334196 -0.902611 0.271306 0.922781 -0.371933 -0.100703 0.191803 0.216701 0.957211 -11.0322 -3.24276 -11.8608   HKH_2021_1IRA_run_2_complex.590_chain_B_11_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.590_chain_B_11_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.590_chain_B_11_0000100001_0000001_0
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LPt69Bd9DSI0uQ1iQaLYACFNlSIEgv5iQE2EBCFuNNIUY/7iQZnxAC15JKIUBmKjQJohACF5oVI0L+OjQzJACChcWWIkqSVjQK2l/Bpa6aIUeUNjQcen8B9QkRIEQuBjQQz1AC9P1UIU8wsiQN5DACJEUTIUlbbjQL/CCCNecYI0pokjQxpfCC9ddSIkXBXjQaChCCVVsYIEMKJjQX0t/BZN7cIkZbcjQmiPACtuWdIU+2AjQPbf9B97NaIE7mJjQ HKH_2021_1IRA_run_2_complex.590_chain_B_11_0000100001_0000001_0
Lk/DCCdzLMI0XPuiQLrxCChRFHIENmuiQV2LECxvZHIkU+3iQV/yECBJRDIUYP8iQER5CCNXwEIUw5XiQPlnDCVidIIE4sKiQeMhBCdVuDIEhcOiQd6RCCpQ2OIEEgiiQ3GNCCpZREI0wV4iQupcDCdp/AIkjnYiQE76DCdIqGIkI/9hQjMoBC9BFCIExt+hQmKABCBZ5AIUGcYiQt28ACp4bHIUulNiQ HKH_2021_1IRA_run_2_complex.590_chain_B_11_0000100001_0000001_0
L3YuECJHPMIkOz6iQHbFGClVwMI0FFDjQkJIGCJ1tMIU2YbjQWgdFCli/PIkq8ljQdcvGCdp2RIkw46iQiGBHC9x8RIEnIjiQCMvHCNLGXIEOzciQXNCICxgQXIEh2EiQCYwIClpPcIUmk+hQO7MECpiiPI0t/2iQ3xqGCViVJIU9h9iQTIGGCZwOVIkXg+iQZ0rHCRidSIUfODjQsDpHCldhOI0lAfiQC/EGClRoRIkeYaiQCoHHCN8haIE5DhiQUgrICRwXXIkCmliQFhpICBO0TIkPoAiQBIGHCR/CXIEIC8hQnx7IC1pMcIU5puhQ9SMICZNefI0vPCiQWtoJCteccIEMjGiQ HKH_2021_1IRA_run_2_complex.590_chain_B_11_0000100001_0000001_0
LWO8GC1ADJIUnBkjQBuEHCl9VIIEAE7jQaneICZyPIIUs5DkQRZcJCl/eGI0q05jQk0bGC5mFDIE7YCkQj7AFCB6wCI0tI+jQRtjECxORAIU9HsjQoVHEC5dDFI0qyLkQtqODC58DAIEN4njQqRyCCtV3EIEQXHkQL9VCC5GYCI0Ih1jQEMcHCZAgGIk79ZjQCzjGCR9nLIUJnCkQie7GCdxf/HU5b6jQRylGCBgnCIEqmTkQEXRFCdG98H0Y9gjQnZeECt+DHIUsKakQ2q4CCBYL8HEqZZjQBNFCCReuGIEX+RkQntSBCBvQCI0rJyjQ HKH_2021_1IRA_run_2_complex.590_chain_B_11_0000100001_0000001_0
L3YlICtb4JIkUxXkQ1X0JCR2RJIUuUjkQBysJCJ69DI0UyukQMEtIC5M5CIUsr5kQ91BKChw4NIUukykQMiWKCp59SIEamnkQKIWJCdwUWIkW1gkQ9SrLCx7VUIUUhkkQkXrJCh2DbIEnIXkQF+/LC1eEZIU51akQYHALCBubcIkmKUkQJ6TLCl2OhIUZnKkQzFxHCBxVLIEDnfkQd9pKC5eEJIkQLYkQzWHJCxJeOI0vs7kQu10KCp/8MIUE19kQjNTICNEQVIE6VjkQd3dMC9oqRI0O5pkQk06IC1FvdIk99RkQrxCNChtJaI0ciYkQl1QMC5YvhIUluKkQ HKH_2021_1IRA_run_2_complex.590_chain_B_11_0000100001_0000001_0
LQDsKCpTiAIkQirkQFCrKCNuZ2HEny0kQNMCMC1n30H04V/kQmTANChKtxHE020kQwmZKCxTmuHU6gikQs88JCdE4jHEmJokQdnpICFPhiHUZvukQQfwKCx7KbHEGKmkQbJKICJnrYH0eOzkQkaRKCx4IRHUVpqkQfP9ICtz7PH0MQxkQZQeLCVOrBI0faikQXG5JCJt01Hkt6AlQOwoJCNoFyH0XSYkQSITLCNL0tHET1YkQnqAICxMipH0WJwkQaFyLCxiScHUz7gkQXbIHCpa1XHkmK4kQ9H7KClDPKHkZBpkQBejIC1PHIHk020kQ HKH_2021_1IRA_run_2_complex.590_chain_B_11_0000100001_0000001_0
LaaHMCdk53HEguTlQGnZNCdPl4HE2EflQQYsNCVyxvHUfIvlQGeANCphiuHUhN/lQrCgNC5dvBIkdRqlQusvOCJqlCIExc4lQSMEQC9j1CIEOPslQ7MQQC9zQGIE/PelQ1h/QCVWY+HkXexlQWGPLCNF/5HkgLblQSAMOCxyQ4HExCTlQskfNC5Q5EIUpQelQqFoMCZKVCIEuR0lQ7unOCtlZGI09fAmQeQ0OCF80+HknZEmQqW4RC1hW+H0ACqlQ5qzQCdtw4HkxS9lQ HKH_2021_1IRA_run_2_complex.590_chain_B_11_0000100001_0000001_0
LRXwOClwzpH0cNrlQNxIPClwChH0vW5lQDCkPCd5ElH0HbPmQrXWQCxTtsHEK1QmQ4tTQC9J4aHEoXvlQdHuQCNyLRHUQq7lQUSxRCFwbKHU3uwlQhdJSCVLANH0rFflQmwMSC9unCHkhV6lQ9ITPCNLPrH0u1dlQ3YSOCdErbHE3V7lQzfEQCdsgYHUGYflQaMLRCpTIgH0udulQgGHRC9foTHUhMLmQsK1PCFfkMHUJa+lQ HKH_2021_1IRA_run_2_complex.590_chain_B_11_0000100001_0000001_0
LgSFPCtZ2fHkrlgmQrKjPC94xiHUsH2mQ3LCRCtfigHUK14mQTtsRCBUOmHEa3EnQUZaRCpgTXHEcv1mQnH0OCFQ6cHUQNInQH7aNCFFGhH0XbOnQToCNC1V6pHEhoInQeOvMCpuUbHkA4ZnQZ2YOCNR3ZHkldemQQHZPCd5VrH0JP4mQHYtOC1lfUHEStDnQE5bPCFuJdHUWXWnQ HKH_2021_1IRA_run_2_complex.590_chain_B_11_0000100001_0000001_0
LT1wFCZYktGUXVClQT1wGCZYktGUXVClQT1wFCZYk1GUXVClQ HKH_2021_1IRA_run_2_complex.590_chain_B_11_0000100001_0000001_0
SCORE:  -1442.054  -2620.756    284.609   1692.738               -150.821                 47.222                105.683    884.225       -968.030            -5.840                 -35.762   -931.373         -150.001        -77.334       -238.366       -115.122     -68.122       -6.308                   30.635     11.298        30.596       217.447        418.728   -111.851      73.949   -101.507       0.000         55.341        286.667   8733.000 HKH_2021_1IRA_run_2_complex.690_chain_B_4_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.690_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_2_complex.690_chain_B_4_0000100001_0000001_0
RT 0.13999 0.97915 0.147201 0.505699 -0.198516 0.839559 0.851276 -0.043091 -0.522946 -35.0741 -4.07971 -14.7078   HKH_2021_1IRA_run_2_complex.690_chain_B_4_0000100001_0000001_0
RT -0.21587 -0.780762 0.586354 0.950253 -0.306084 -0.0577256 0.224543 0.544723 0.807995 -12.799 -2.49661 -10.6124   HKH_2021_1IRA_run_2_complex.690_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]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.690_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_2_complex.690_chain_B_4_0000100001_0000001_0
LF2yyBxF6NDULoVaQ/xawBRdJDDk7cuaQaj/uBla+rD02X7aQRYMwBtaOHEUGN8aQ5GKxBl1FpCkzJWbQkRzuBli4PCkLHpbQdljsBBNyVCEUQabQDLSvBFbKvBEl5GcQTvc0BJ79ED0N4laQKCvyBV9i+C0UN5ZQMn1yBhI3tDkFnQaQ9iEvBBHSwCknhaaQMwwyB56ySCk8SObQt06xBRM2+CEt0ubQ HKH_2021_1IRA_run_2_complex.690_chain_B_4_0000100001_0000001_0
LmucsBVAooDkRyFbQAc6qBBCaHEEehRbQqlJrBJKKME0PGBcQR1JpBJkNMEEbHYcQ2V+nB1AvEE09MFbQqdenBVqDDEUQHVaQFIgkBRGcAEUHULaQQI/jBpQo9DUvQbZQrkFhBtwv3DUPeRZQDaprBZbaKD0/2GbQsTurBpyFVEkPOAbQC2LnBVhpsDU3TUbQ8E1mBF0RSEUOTRbQ+COoBtEeREEfdFaQeMkoB5utqD09dIaQvqwjBFd+jD0s4aaQRGajBVtHOE0lAYaQK6rkB5lYNEE+xLZQOIGlBFreiDk1cOZQBK1gBpLv1DEjcxYQ34agB1sjcD0BYfZQxdCgB9odIEES3cZQ HKH_2021_1IRA_run_2_complex.690_chain_B_4_0000100001_0000001_0
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LQx1BChRf6FEBT/jQ1G+AChRbFGkIU2jQFJS/BZYsAG0dpvjQjNh9BJCfGGERbojQysmBCdVxKG0FpijQPq3BC16wCGEgpSjQz63CCBeZQGk+tojQI5TCC1SWwFEPH1jQdPyACp9hLGE0ZCkQDu5ACR4mQG05DcjQNbDCCh/NGGUqLFjQ1KSDClFKUGEjzajQ9zoCCteaWGE4Z0jQ03lDChOvKG0cUvjQ HKH_2021_1IRA_run_2_complex.690_chain_B_4_0000100001_0000001_0
LpgC/BBKTsF0NAyjQA1p8BBzkgFUsvrjQskm6BldneFk859jQt8H7B5oOUFEuZOkQ3ca9BVdbKFUjYjjQ8N++B1frJFEBWOjQlIf/BB8FyEkOIIjQ8XWACFM3uEkNXxiQq4uBCZFh3EkZKviQuJTAC5qfkFUDg4jQg8t7BdrKpFUksejQ9Gm+BRGNCF0jcvjQrpo7Bl/YBFUN2gjQ/Ez9BlbgRFkU2BjQmXbACxSNSFkfNQjQR0aACx89qEkl1TjQtIm9BZjapEEIzIjQbXYAC5YudEkALuiQo1a/BF9c2E0ibliQLXFCC9fI0E0DpfiQnPvBCxCaHF0ZnxiQRVUCC9LRwE0MB6iQ HKH_2021_1IRA_run_2_complex.690_chain_B_4_0000100001_0000001_0
LO6Q4Bp6poF0jW6jQgpF2BhEopFkP8JkQZUVzBBbkkFUDUBkQuYfyBlf6sFk34wjQIvz1BVNFAGkvzSkQ+cL4B1t9DGUIrckQkJ05Bln4KGEPsRkQb244BxkmAG0hgwkQceH8BZtcOGESrakQkKN7BlEEEGkaZ5kQp2z8BFY/KGUOiukQbNF4BBghwF0lIsjQryg2BtLbeF0djWkQKEQ1BdWhFGk68FkQNcN0BdfIAGkTeekQ0sQ5BNQdNGEMkBkQOyl3BNjG2F0RC5kQKFa9B9y6TGUM2RkQCjy7BlvSBGUTMJlQRao+BdGoNGUwr1kQ HKH_2021_1IRA_run_2_complex.690_chain_B_4_0000100001_0000001_0
LnYyxBRBWZFksvNkQH5CvB5pOVFEsFIkQxvntBteUpFUJfOkQXOVuBlZ1yFkIwekQK8BuB1eZCFEGUUkQxbTvB9OxtEE6XOkQyEhxBVv4mEUttZkQSHRuB5qdhEE7J+jQ2AsyB9q4TEU7AVkQ56cvBtmKOE0wR5jQpdqxBBNWHEE/vEkQCb2yBheAoDUrBAkQjihyBpmaTF05pbkQZP0uBZ/0SFkeA3jQb2buBpNTFFUw7kkQAz4rBVBCBFk/MSkQZWUyBhXkwEUlmmkQ7bhsBdY6mE04P1jQCKZ0B5zqOEEJIekQlcpuBZWSEEULcsjQXVO0BRD/hDE3bKkQ HKH_2021_1IRA_run_2_complex.690_chain_B_4_0000100001_0000001_0
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LjweDC9fcnGUbfNlQjweEC9fcnGUbfNlQjweDC9fcvGUbfNlQ HKH_2021_1IRA_run_2_complex.690_chain_B_4_0000100001_0000001_0
SCORE:  -1455.028  -2635.004    289.163   1674.535               -151.546                 48.123                108.404    879.279       -964.515            -5.298                 -33.755   -915.726         -146.931        -78.168       -242.627       -119.319     -49.943       -6.114                   37.194      4.892        32.071       220.743        417.539   -112.797      74.900   -101.507       0.000         51.021        270.358  16787.000 HKH_2021_1IRA_run_2_complex.739_chain_B_2_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.739_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.739_chain_B_2_0000100001_0000001_0
RT -0.28204 -0.721932 0.631876 -0.957585 0.171308 -0.231697 0.0590241 -0.670423 -0.739627 -26.1309 -23.796 -7.74762   HKH_2021_1IRA_run_2_complex.739_chain_B_2_0000100001_0000001_0
RT 0.0870456 -0.911646 0.401653 0.966658 -0.0201702 -0.255273 0.24082 0.410482 0.879494 -10.2763 -2.94806 -11.8739   HKH_2021_1IRA_run_2_complex.739_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]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.739_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.739_chain_B_2_0000100001_0000001_0
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SCORE:  -1443.541  -2702.744    305.472   1734.156               -150.666                 48.361                106.273    911.555       -991.572            -5.739                 -36.012   -937.951         -140.663        -80.532       -240.194       -123.096     -68.928       -6.615                   34.345     11.057        39.101       221.861        422.762   -112.938      78.571   -101.507       0.000         46.423        295.678  11254.000 HKH_2021_1IRA_run_2_complex.158_chain_B_2_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.158_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.158_chain_B_2_0000100001_0000001_0
RT -0.421748 0.90578 0.0411271 -0.43848 -0.243446 0.865141 0.79364 0.346838 0.499839 -30.3371 -29.7246 -19.6727   HKH_2021_1IRA_run_2_complex.158_chain_B_2_0000100001_0000001_0
RT -0.0698738 -0.757681 0.648874 0.979241 -0.176168 -0.10026 0.190276 0.628398 0.754262 -8.71326 -1.63334 -11.9148   HKH_2021_1IRA_run_2_complex.158_chain_B_2_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]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.158_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.158_chain_B_2_0000100001_0000001_0
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LCw+GC9hahG0aY6kQCw+HC9hahG0aY6kQCw+GC9hapG0aY6kQ HKH_2021_1IRA_run_2_complex.158_chain_B_2_0000100001_0000001_0
SCORE:  -1462.308  -2631.205    284.148   1692.889               -152.105                 47.484                108.871    890.704       -967.762            -5.322                 -34.470   -943.176         -143.739        -81.598       -240.674       -113.863     -66.741       -6.620                   30.970      5.294        31.256       221.355        421.824   -112.684      75.321   -101.507       0.000         58.212        270.829  11581.000 HKH_2021_1IRA_run_1_complex.591_chain_B_5_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.591_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_1_complex.591_chain_B_5_0000100001_0000001_0
RT 0.866549 0.0509555 -0.496484 0.466579 0.270464 0.842112 0.177191 -0.961381 0.210596 -11.9801 -13.2918 -13.946   HKH_2021_1IRA_run_1_complex.591_chain_B_5_0000100001_0000001_0
RT -0.198357 -0.751545 0.629154 0.960169 -0.277887 -0.0292259 0.196798 0.598297 0.776731 -13.1876 -1.46912 -8.95619   HKH_2021_1IRA_run_1_complex.591_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]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPHALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_1_complex.591_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_1_complex.591_chain_B_5_0000100001_0000001_0
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L6njDCp92fGUJ2ilQ6njECp92fGUJ2ilQ6njDCp92nGUJ2ilQ HKH_2021_1IRA_run_1_complex.591_chain_B_5_0000100001_0000001_0
SCORE:  -1475.207  -2629.205    284.664   1688.934               -150.558                 48.163                104.756    885.131       -967.813            -5.477                 -33.739   -921.245         -150.269        -79.875       -236.231       -118.702     -65.060       -6.332                   25.429      5.781        33.913       218.837        417.605   -114.510      76.278   -101.507       0.000         45.073        270.753  11205.000 HKH_2021_1IRA_run_2_complex.448_chain_B_7_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.448_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.448_chain_B_7_0000100001_0000001_0
RT 0.437841 0.108706 0.892456 -0.812725 -0.376582 0.444594 0.384413 -0.919983 -0.0765353 -29.1122 -23.0436 -19.1857   HKH_2021_1IRA_run_2_complex.448_chain_B_7_0000100001_0000001_0
RT -0.18653 -0.833757 0.519669 0.962017 -0.262323 -0.0755663 0.199325 0.485835 0.85102 -12.5001 -2.73214 -9.76528   HKH_2021_1IRA_run_2_complex.448_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]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.448_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.448_chain_B_7_0000100001_0000001_0
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