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:  -1489.633  -2655.623    284.167   1719.831               -150.365                 47.329                106.818    902.726       -978.413            -5.860                 -36.668   -953.208         -146.713        -78.679       -236.963       -120.556     -67.872       -6.668                   25.897      3.919        33.282       223.084        422.142   -113.440      74.999   -101.507       0.000         49.086        269.620  17360.000 HKH_2021_1IRA_run_2_complex.579_chain_B_7_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_2_complex.579_chain_B_7_0000100001_0000001_0
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_2_complex.579_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.579_chain_B_7_0000100001_0000001_0
RT 0.832251 -0.479046 0.279058 0.256782 -0.113022 -0.959838 0.491346 0.870483 0.0289477 -8.5045 -5.65441 -26.6566   HKH_2021_1IRA_run_2_complex.579_chain_B_7_0000100001_0000001_0
RT -0.0912465 -0.698598 0.709672 0.959802 -0.251647 -0.124313 0.265431 0.669802 0.693478 -9.36085 -2.52302 -11.7171   HKH_2021_1IRA_run_2_complex.579_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]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_2_complex.579_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.579_chain_B_7_0000100001_0000001_0
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L2/lGCFUDpG0jL6kQ2/lHCFUDpG0jL6kQ2/lGCFUDxG0jL6kQ HKH_2021_1IRA_run_2_complex.579_chain_B_7_0000100001_0000001_0
SCORE:  -1466.117  -2672.425    291.440   1702.648               -151.527                 49.015                105.473    888.312       -973.350            -5.644                 -35.588   -928.199         -144.524        -78.737       -239.427       -111.685     -62.820       -6.247                   26.146      4.605        32.565       224.602        424.687   -111.148      75.506   -101.507       0.000         52.212        279.498  16967.000 HKH_2021_1IRA_run_2_complex.166_chain_B_0_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_2_complex.166_chain_B_0_0000100001_0000001_0
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_2_complex.166_chain_B_0_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.166_chain_B_0_0000100001_0000001_0
RT -0.0587794 0.993254 0.0999586 -0.0504009 -0.102957 0.993408 0.996998 0.053354 0.0561127 -32.7324 -17.0629 -17.5784   HKH_2021_1IRA_run_2_complex.166_chain_B_0_0000100001_0000001_0
RT -0.220057 -0.914468 0.339591 0.960065 -0.264689 -0.0906397 0.172773 0.306084 0.936196 -11.6258 -2.33198 -11.1598   HKH_2021_1IRA_run_2_complex.166_chain_B_0_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.166_chain_B_0_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.166_chain_B_0_0000100001_0000001_0
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LOXuECx1RmGUsqFlQOXuFCx1RmGUsqFlQOXuECx1RuGUsqFlQ HKH_2021_1IRA_run_2_complex.166_chain_B_0_0000100001_0000001_0
SCORE:  -1495.425  -2643.578    278.386   1688.698               -151.070                 47.578                106.424    888.212       -967.578            -5.481                 -33.990   -928.335         -151.322        -80.103       -239.342       -112.288     -69.101       -6.383                   26.086      5.432        34.405       226.172        416.632   -113.780      75.637   -101.507       0.000         48.301        266.470  10485.000 HKH_2021_1IRA_run_2_complex.698_chain_B_15_0000200002_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_2_complex.698_chain_B_15_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.698_chain_B_15_0000200002_0000001_0
RT 0.661535 0.694459 -0.283016 0.616674 -0.718515 -0.321634 -0.426713 0.0382435 -0.903578 -18.5803 9.68146 -22.8579   HKH_2021_1IRA_run_2_complex.698_chain_B_15_0000200002_0000001_0
RT -0.27485 -0.876905 0.394329 0.940575 -0.33029 -0.0789091 0.199439 0.349208 0.915575 -12.2691 -2.11666 -11.0577   HKH_2021_1IRA_run_2_complex.698_chain_B_15_0000200002_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTH[HIS_D]GIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_2_complex.698_chain_B_15_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.698_chain_B_15_0000200002_0000001_0
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LCdXECFKHxGUAngiQSRjFCtUQtG0GTViQdaTFCNUWjGkMYIiQyHmECtIFcG0ITPiQ3buGCFLtqGE/gkiQYu2HCtAYnGU64XiQaAYGCBchhGk6N0iQ3lwDCRiIsG0aSpiQQN4FC5lezGE9RKiQmg+GCBe5xGEPatiQGMqICFKvnGUIjgiQBiOHCNSDgG0op+iQ+DhFCxtwjGETw9iQUnJGC9nMaGEPvriQ HKH_2021_1IRA_run_2_complex.698_chain_B_15_0000200002_0000001_0
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LSirDCZ+TEG0StUlQAuGDCNtBKGULymlQecdCCZW6CGE8S3lQu6uBCpJ52FUxIylQQ9ACCJpiRG0FJflQ/8fCC51PZGEIHQlQeLYCCpeYXG0nj6kQLuHDCtzOiGkm+WlQ833CC59deG0eYskQB9nDCF3QpGkopIlQv+fDCB2XnGEwfzkQpWHDCBh59FkQMMlQ2A5DCNrhOGkanulQdJNBCNg/MGEv0XlQjmnBCdatVGkU2slQ6B5BCJlDQGEC40kQMNODC57ojG0lGolQlDyCC5I6cGUFUbkQMqIECh/ZwGktFOlQgJ6DCJm7sGkIaokQ HKH_2021_1IRA_run_2_complex.698_chain_B_15_0000200002_0000001_0
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LQz75BdqB9Fk8M7mQ+rg4BxeDxFkk7LnQtp41Bdwl6FkEhTnQm0w1BRVfGGUElanQ/4W6BpydtFEmPfnQMaB5BVd4iFEEDznQJwH4BN6qLFEEVvnQCSu5BZCw9EkRDpnQ2cj1B1CdHFEydznQ3jk6BZzOGG0yt9mQJpC4Bd5VhFUMaFnQt7B8Bh5YjFU6aanQIlL7B5+y8F0ZUknQhCf6BRftiF0P7/nQlUS3B5QMsFkXG4nQRp00BJnp4EUQqxnQs4S0BJ3kTFUtx4nQ HKH_2021_1IRA_run_2_complex.698_chain_B_15_0000200002_0000001_0
L07yzBV/htFUVOSnQNwFxB59czFEchYnQxk3wBNp43F0zawnQca8xBlrrrFkQc9nQ3FIvBR4lhFUezSnQIlQsBlrcnFEfjWnQ0vVqB112WFEJzPnQ1XIrBRsCHFE2qGnQm9BoB1h6ZFk/PUnQX/G0BBzveF0AIMnQrkgwB1D4AGEX6PnQtFWvBpJEdFETgCnQJGkvBtFkTFUAgcnQaX8rBR6TqFU5jnnQ4s1rBVfV2FEiCOnQ HKH_2021_1IRA_run_2_complex.698_chain_B_15_0000200002_0000001_0
Lf2bvBJPjEGEi81nQg84uB1GdHGEdGGoQ7nqtBtOc8FEEdMoQHPeuB16y4FUalVoQYhbrB9l41FU24JoQ+5/sB1pHRGUO1GoQHERuBJeNcGUsaEoQT6qwB5VLdGUH1DoQTHwsBhJ0jG0eYDoQLbtuBx2RJG0T3pnQLBywBhDnJGk72JoQkvWrBNg6PGUXNBoQbHIsBB5XRG03zOoQ HKH_2021_1IRA_run_2_complex.698_chain_B_15_0000200002_0000001_0
LeD6DCdkakGk0lElQeD6ECdkakGk0lElQeD6DCdkasGk0lElQ HKH_2021_1IRA_run_2_complex.698_chain_B_15_0000200002_0000001_0
SCORE:  -1469.615  -2684.495    293.860   1711.165               -151.751                 49.101                108.221    887.853       -979.862            -5.535                 -33.921   -922.544         -150.300        -82.334       -240.184       -119.052     -52.002       -6.160                   35.866      6.856        34.120       220.574        423.244   -112.533      74.558   -101.507       0.000         47.537        279.613  12957.000 HKH_2021_1IRA_run_1_complex.307_chain_B_0_0000200002_0000001_1
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.307_chain_B_0_0000200002_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_1_complex.307_chain_B_0_0000200002_0000001_1
RT -0.570983 -0.255761 0.780105 0.478514 0.668444 0.569392 -0.667085 0.698404 -0.259285 -30.6204 -15.9135 -44.1385   HKH_2021_1IRA_run_1_complex.307_chain_B_0_0000200002_0000001_1
RT -0.23833 -0.806771 0.540665 0.956199 -0.292347 -0.0147326 0.169947 0.513472 0.841109 -12.1579 -3.36054 -9.50587   HKH_2021_1IRA_run_1_complex.307_chain_B_0_0000200002_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]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIH[HIS_D]GGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_1_complex.307_chain_B_0_0000200002_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_1_complex.307_chain_B_0_0000200002_0000001_1
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LhQFFClVBrGUKKhlQhQFGClVBrGUKKhlQhQFFClVBzGUKKhlQ HKH_2021_1IRA_run_1_complex.307_chain_B_0_0000200002_0000001_1
SCORE:  -1476.424  -2633.251    279.414   1693.902               -151.917                 48.904                106.117    887.699       -964.637            -5.911                 -36.694   -930.894         -145.819        -80.590       -239.177       -107.027     -71.534       -6.287                   27.704      5.930        31.333       224.041        417.413   -113.664      73.793   -101.507       0.000         51.250        264.986   6824.000 HKH_2021_1IRA_run_1_complex.443_chain_B_5_0000200002_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.443_chain_B_5_0000200002_0000001_0
FOLD_TREE  EDGE 457 198 2  EDGE 198 1 -1  EDGE 198 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_1_complex.443_chain_B_5_0000200002_0000001_0
RT 0.203381 0.936429 0.285895 0.965684 -0.143681 -0.216355 -0.161523 0.320087 -0.933517 -30.0594 10.9702 -21.5682   HKH_2021_1IRA_run_1_complex.443_chain_B_5_0000200002_0000001_0
RT -0.192894 -0.791309 0.580192 0.959015 -0.27712 -0.0591174 0.207563 0.545009 0.812332 -13.6322 -1.6535 -10.271   HKH_2021_1IRA_run_1_complex.443_chain_B_5_0000200002_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTHGIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_1_complex.443_chain_B_5_0000200002_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_run_1_complex.443_chain_B_5_0000200002_0000001_0
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LNYvCCNqxgGk6zSlQNYvDCNqxgGk6zSlQNYvCCNqxoGk6zSlQ HKH_2021_1IRA_run_1_complex.443_chain_B_5_0000200002_0000001_0
SCORE:  -1463.408  -2681.487    294.382   1740.922               -150.511                 48.068                106.239    910.087       -989.415            -5.642                 -36.551   -953.737         -147.762        -82.934       -245.410       -121.611     -68.480       -6.402                   35.933      4.592        32.259       231.321        423.003   -113.782      75.429   -101.507       0.000         57.416        282.174  11146.000 HKH_2021_1IRA_run_2_complex.652_chain_B_10_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_2_complex.652_chain_B_10_0000100001_0000001_0
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_2_complex.652_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.652_chain_B_10_0000100001_0000001_0
RT -0.534186 -0.790269 -0.3002 -0.500487 0.0094554 0.865692 -0.681291 0.612687 -0.40057 -22.9712 -29.9556 -27.2149   HKH_2021_1IRA_run_2_complex.652_chain_B_10_0000100001_0000001_0
RT -0.269028 -0.837597 0.475453 0.941839 -0.33202 -0.0519874 0.201404 0.433814 0.878204 -11.5713 -2.40703 -11.4975   HKH_2021_1IRA_run_2_complex.652_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_2_complex.652_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.652_chain_B_10_0000100001_0000001_0
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SCORE:  -1385.533  -2659.959    303.299   1712.449               -151.386                 48.241                105.378    898.466       -977.474            -5.512                 -34.635   -926.440         -146.122        -79.509       -240.661       -108.830     -66.251       -5.937                   39.084      6.137        33.248       225.860        426.739   -114.080      74.842   -101.507       0.000         47.534        311.495  10577.000 HKH_2021_1IRA_run_1_complex.349_chain_B_2_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.349_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_1_complex.349_chain_B_2_0000100001_0000001_0
RT 0.354377 0.923272 -0.148273 0.699872 -0.156717 0.696864 0.620158 -0.350725 -0.701709 -27.056 -7.9164 -5.51593   HKH_2021_1IRA_run_1_complex.349_chain_B_2_0000100001_0000001_0
RT -0.23491 -0.857474 0.457773 0.940502 -0.319459 -0.115766 0.245506 0.403342 0.8815 -11.8276 -2.18782 -12.6406   HKH_2021_1IRA_run_1_complex.349_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]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_1_complex.349_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_1_complex.349_chain_B_2_0000100001_0000001_0
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L3muECd9PlGUyGzkQ3muFCd9PlGUyGzkQ3muECd9PtGUyGzkQ HKH_2021_1IRA_run_1_complex.349_chain_B_2_0000100001_0000001_0
SCORE:  -1470.586  -2681.199    293.585   1716.181               -151.674                 49.164                107.758    892.325       -978.492            -5.638                 -34.098   -931.388         -151.623        -78.410       -240.134       -113.761     -62.989       -6.618                   35.506      5.787        35.403       222.760        419.971   -113.575      74.046   -101.507       0.000         51.373        276.662  11912.000 HKH_2021_1IRA_run_1_complex.33_chain_B_0_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.33_chain_B_0_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.33_chain_B_0_0000100001_0000001_0
RT -0.189895 0.474213 -0.859687 0.403218 -0.760699 -0.508676 -0.895184 -0.443236 -0.0467582 -25.3303 0.385326 -28.1931   HKH_2021_1IRA_run_1_complex.33_chain_B_0_0000100001_0000001_0
RT 0.0472382 -0.796333 0.603011 0.98875 -0.0484938 -0.141496 0.141921 0.602912 0.785084 -8.13595 -2.74816 -10.6075   HKH_2021_1IRA_run_1_complex.33_chain_B_0_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.33_chain_B_0_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.33_chain_B_0_0000100001_0000001_0
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LoJrGCdOrsGEnSLlQoJrHCdOrsGEnSLlQoJrGCdOr0GEnSLlQ HKH_2021_1IRA_run_1_complex.33_chain_B_0_0000100001_0000001_0
SCORE:  -1460.071  -2664.698    288.233   1714.445               -153.399                 48.766                107.714    893.337       -977.430            -5.764                 -35.747   -935.902         -146.981        -81.387       -238.130       -113.290     -65.789       -3.757                   34.164      5.132        36.186       234.630        423.965   -115.090      75.342   -101.507       0.000         45.077        271.808  12322.000 HKH_2021_1IRA_run_1_complex.72_chain_B_14_0000100001_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.72_chain_B_14_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.72_chain_B_14_0000100001_0000001_0
RT -0.193823 0.619081 0.761033 -0.345461 -0.769126 0.537682 0.918199 -0.158692 0.362942 -40.3793 -9.66107 -15.8902   HKH_2021_1IRA_run_1_complex.72_chain_B_14_0000100001_0000001_0
RT -0.155085 -0.924613 0.347906 0.956017 -0.229213 -0.183009 0.248957 0.304223 0.919494 -11.0425 -3.4902 -10.3345   HKH_2021_1IRA_run_1_complex.72_chain_B_14_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]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.72_chain_B_14_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.72_chain_B_14_0000100001_0000001_0
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SCORE:  -1516.677  -2625.449    272.002   1682.368               -151.062                 48.474                104.806    885.227       -964.145            -5.206                 -33.437   -941.790         -149.211        -80.886       -240.020       -114.436     -67.698       -6.418                   26.193      4.779        31.817       220.545        419.284   -114.097      75.169   -101.507       0.000         44.229        263.791   7718.000 HKH_2021_1IRA_run_1_complex.64_chain_B_7_0000200002_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.64_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_1_complex.64_chain_B_7_0000200002_0000001_0
RT -0.528054 0.164702 0.833086 -0.823965 0.138054 -0.549566 -0.205525 -0.976634 0.0628082 -41.3299 -14.4946 -17.8089   HKH_2021_1IRA_run_1_complex.64_chain_B_7_0000200002_0000001_0
RT -0.153066 -0.860751 0.485468 0.961839 -0.242508 -0.12671 0.226795 0.447547 0.865024 -12.6108 -3.07042 -8.83494   HKH_2021_1IRA_run_1_complex.64_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]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.64_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_1_complex.64_chain_B_7_0000200002_0000001_0
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LWnZ2BBbKCGk+MToQ+JD5BZE3GGE7lToQVdH5BdWESGUG9OoQA2l4BZ0jTG0peFoQ6486BV3Y/FkcDNoQAVy9BtrMEG0U5MoQWY46B5N7oFkilRoQGKu1BFBE+FktKMoQHzs5B5EJHG0r6boQrbQ6B1k5+FEa0EoQ3dB/BVb09FE+CIoQO6z9BNKMMG0AWJoQGxk+Bl9jEGkCAVoQzAK8BNileF0G5MoQGSk7BlvNpFED0ZoQuu14Bt0uiFkrSRoQ HKH_2021_1IRA_run_1_complex.64_chain_B_7_0000200002_0000001_0
LMw45BhG7ZGEpfVoQGR95BBZHlGU8/RoQIzw8BxrRpGEMrPoQ5lE9BB6QyG0t4LoQeDu4BZ9esGkemaoQ9eM6BpFXrGkNbkoQIj11B9vupGEKecoQ8gT6Bh3OYGEjQdoQqPy4B9j2lGkGrKoQkB24BVvy0Gkc8XoQCT37BxYLvGkd3joQmmA1BNoBvGUVeioQtax0B5s0qGE4GVoQ+8p1BNYehGkFJfoQ HKH_2021_1IRA_run_1_complex.64_chain_B_7_0000200002_0000001_0
LIjz+BBc6iGkZFSoQO4xAC1qimGUGnQoQZoTBCpedkGUmWFoQ9mVBC9JRbGE+jBoQ31rBCx1ZhGUs7YoQkIaBCZb6kGUOSkoQo+XCClvvfGUNJsoQqQFCChxUjGUqn3oQMcADCxtUeGUpf/oQlNa+BR7ibGU18UoQYnzACx3MvGkw0RoQJakBCNMxYGUhmYoQ9LuCCxLWjGU5GXoQIugBCVxltG08wkoQdyYACJlyiGkIcmoQ6pSCCVyDXGECoroQkaZDCRFCiG0/DqoQ7xLCCB8+rGkdG4oQGvDBCF0IhGUpq5oQU1xCCll6gGk37GpQMb6CChQSWGk3M/oQVT9DCRYZgG0Uu9oQ HKH_2021_1IRA_run_1_complex.64_chain_B_7_0000200002_0000001_0
LR4vBCNqNtGUrQAoQB5PCCN+ZtGkmkqnQA7mDCNBbyGUyOnnQ/aFECt0F5GkxZznQKFTBC1OdzG0mnbnQE18/BRdluGk2+YnQ5z29Bd1yxGUlalnQPZi/BN8omGUm4JnQpCZ7BJiStGUHAjnQ2rE9BNAFiGEOaHnQrD+6BBkblGkJCUnQbBrBCtxZ0GEBKEoQjUUCCpfQlGkzJlnQhaKBCpui7G0quhnQ0lwBCZoI0GUO3LnQs5K+B1jA4GkOhxnQggmACNrBkGkl6/mQDuy5BlM+vG0QItnQ28y8BR62bGEco7mQv0/4Bpo3hGEVSSnQ HKH_2021_1IRA_run_1_complex.64_chain_B_7_0000200002_0000001_0
La6OEC5PTvGEDAWnQtWcFCtUT0G0EkOnQYS/EC1+p6G0yb7mQTEEECtXQ3GUeNwmQJucGC5G+rGkEnInQ5y1GCVdtlGUKIbnQkvEGCplKdGkTWgnQ1P8HCpJUoG0NInnQhdXGCFVQXGU0GxnQS/PICVYKiGkKb4nQNOcHCZdhZG01b9nQUCtHCdgPTG0maHoQMW1DCxARpG0rQNnQBC2FC5ut5GUboanQeR/FCt1smGk0J9mQAGVHCJCkvG0CZBnQWTNFCJwGbG0mxWnQNrjICFENvG0cBjnQwHwFC9e0QG0bk0nQUMHJCRaKkGEZDBoQgMAHCR1EOG02YIoQ HKH_2021_1IRA_run_1_complex.64_chain_B_7_0000200002_0000001_0
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LCFBHCJUyJH04uLmQySUICV+3MH0UuCmQ0fQICx/VSHUYGtlQi52HC1IhNHkrJdlQo0OJC9+CDHEKBBmQUamKCpzEFHUp/1lQnvhLC5uiMHkUkCmQLK5LC9JOKHkb5UmQzW6LC5AjVH0Av4lQBvgGCRjQDHkh3FmQGDyIC52dSH0c1NmQ3abJCRX8/G0AARmQdztICNhy8G0sH4lQv8GLCBob9GkaZ0lQHpcKCdKhIHUvHmlQgihMCZtraHkoKAmQv0lLC1TRXH0jVplQ HKH_2021_1IRA_run_1_complex.64_chain_B_7_0000200002_0000001_0
Ls/rIC5sYcHUlhslQHapIC9MuiHEH9YlQ1pnJC17LeH0VlIlQAtwKCR4fbH0jLOlQTIAJCN5ZuHkvtdlQbivIC53D2HERZLlQnu8IChVxAIERcRlQPjPJCBL0BIknwjlQXD0ICZKJEIEBuDlQhPBJChpzfHE8N6lQDXpHCxsciHE4OSlQ9UfICllLxH03jrlQeOEKCZy4uHU6OhlQFTaJCt1H0HkWI+kQPxtHChX70Hke5FlQ HKH_2021_1IRA_run_1_complex.64_chain_B_7_0000200002_0000001_0
LZQLJCR1idH0Zd0kQOxBKCV21ZHUI8ikQ99RLCtrugHEBxgkQhpWMCBEhcHkaAckQCRHLCpQQqHk4kckQQdSJCBz5ZHEFYNkQYgPICpj5QHkI1JkQuNKICVdeJHU8PWkQeUjHC1xiRH0Jq5jQIGNIC9psfHUzbxkQNnVKCVoqRH0fbmkQ9RxICJTjhHk7vLkQuXBKCVsfZHEXhAkQ HKH_2021_1IRA_run_1_complex.64_chain_B_7_0000200002_0000001_0
LxchDCtGHrGkIColQxchECtGHrGkIColQxchDCtGHzGkIColQ HKH_2021_1IRA_run_1_complex.64_chain_B_7_0000200002_0000001_0
SCORE:  -1450.599  -2688.858    293.487   1729.103               -152.282                 49.676                109.126    897.065       -988.051            -5.275                 -33.431   -932.219         -152.713        -77.935       -241.377       -116.842     -67.514       -6.151                   44.646      6.009        35.022       229.066        424.651   -113.717      76.244   -101.507       0.000         52.264        280.913   8679.000 HKH_2021_1IRA_run_1_complex.189_chain_B_18_0000200002_0000001_0
RES_NUM A:1-311 B:312-456 z:1 HKH_2021_1IRA_run_1_complex.189_chain_B_18_0000200002_0000001_0
FOLD_TREE  EDGE 457 198 2  EDGE 198 1 -1  EDGE 198 311 -1  EDGE 1 312 1  EDGE 312 456 -1  HKH_2021_1IRA_run_1_complex.189_chain_B_18_0000200002_0000001_0
RT -0.188583 -0.2714 0.94381 0.645035 0.690449 0.327429 -0.740518 0.670538 0.0448554 -23.8139 -17.0995 -44.5236   HKH_2021_1IRA_run_1_complex.189_chain_B_18_0000200002_0000001_0
RT -0.384688 -0.830335 0.403186 0.902756 -0.429525 -0.0232424 0.192478 0.355038 0.914823 -11.7608 -2.42933 -10.7147   HKH_2021_1IRA_run_1_complex.189_chain_B_18_0000200002_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]KC[CYS:disulfide]KEREEKIILVSSANEIDVRPC[CYS:disulfide]PLNPNEHKGTITWYKDDSKTPVSTEQASRIH[HIS_D]QH[HIS_D]KEKLWFVPAKVEDSGHYYC[CYS:disulfide]VVRNSSYC[CYS:disulfide]LRIKISAKFVENEPNLC[CYS:disulfide]YNAQAIFKQKLPVAGDGGLVC[CYS:disulfide]PYMEFFKNENNELPKLQWYKDC[CYS:disulfide]KPLLLDNIH[HIS_D]FSGVKDRLIVMNVAEKHRGNYTC[CYS:disulfide]H[HIS_D]ASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLIC[CYS:disulfide]NVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKH[HIS_D]PFTC[CYS:disulfide]FAKNTH[HIS_D]GIDAAYIQLIYPV[VAL:CtermProteinFull]S[SER:NtermProteinFull]SKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPH[HIS_D]ALFLGIHGGKMCLSC[CYS:disulfide]VKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAAC[CYS:disulfide]PGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQED[ASP:CtermProteinFull]X HKH_2021_1IRA_run_1_complex.189_chain_B_18_0000200002_0000001_0
NONCANONICAL_CONNECTION: 76  SG  24  SG
NONCANONICAL_CONNECTION: 84  SG  3  SG
NONCANONICAL_CONNECTION: 144  SG  101  SG
NONCANONICAL_CONNECTION: 176  SG  122  SG
NONCANONICAL_CONNECTION: 292  SG  228  SG
NONCANONICAL_CONNECTION: 421  SG  374  SG
CHAIN_ENDINGS  311 HKH_2021_1IRA_run_1_complex.189_chain_B_18_0000200002_0000001_0
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SCORE:  -1486.942  -2630.917    282.112   1673.543               -150.512                 49.889                104.773    879.631       -961.387            -5.771                 -36.349   -925.836         -146.902        -82.471       -238.353       -116.795     -61.034       -6.356                   24.743      6.129        32.734       225.335        423.136   -111.569      76.759   -101.507       0.000         44.668        265.363    223.000 HKH_2021_1IRA_run_2_complex.184_chain_B_14_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1IRA_run_2_complex.184_chain_B_14_0000100001_0000001_0
RES_NUM A:1-311 B:312-457 HKH_2021_1IRA_run_2_complex.184_chain_B_14_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.184_chain_B_14_0000100001_0000001_0
RT -0.474166 -0.00634396 0.880412 -0.879675 -0.0381253 -0.474044 0.0365733 -0.999253 0.0124971 -34.4047 -12.8973 -13.1426   HKH_2021_1IRA_run_2_complex.184_chain_B_14_0000100001_0000001_0
RT -0.155439 -0.80988 0.565627 0.961955 -0.254328 -0.0997998 0.22468 0.528595 0.8186 -12.3365 -2.766 -9.85922   HKH_2021_1IRA_run_2_complex.184_chain_B_14_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.184_chain_B_14_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.184_chain_B_14_0000100001_0000001_0
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