SEQUENCE: DIQMTQSPASLSASVGETVTITCRASGNIHNYLAWYQQKQGKSPQLLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYCQHFWSTPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNECEVQLQQSGAELVKPGASVKLSCTASGFNIKDTYMHWVKQRPEKGLEWIGRIDPASGNTKYDPKFQDKATITADTSSNTAYLQLSSLTSEDTAVYYCAGYDYGNFDYWGQGTTLTVSSAETTPPSVYPLAPGTAALKSSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVTCNVAHPASSTKVDKKIVPRNCGGDCGDVEKGKKIFVQKCAQCHTVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNEX
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:  -1784.060  -3088.874    303.740   2037.378               -159.270                 46.897                104.499   1096.635      -1165.932            -5.482                 -36.795  -1126.415         -161.088       -119.613       -265.259       -154.136     -69.877       -3.403                   21.708      5.158        34.085       233.144        406.695   -144.831     187.406   -114.818       0.000         56.051        298.337  17856.000 HKH_2021_1WEJ_run_2_complex.882_chain_B_13_0000200002_0000001_0
RES_NUM A:1-437 B:438-541 z:1 HKH_2021_1WEJ_run_2_complex.882_chain_B_13_0000200002_0000001_0
FOLD_TREE  EDGE 542 258 3  EDGE 258 215 -1  EDGE 258 437 -1  EDGE 215 214 1  EDGE 214 1 -1  EDGE 1 438 2  EDGE 438 541 -1  HKH_2021_1WEJ_run_2_complex.882_chain_B_13_0000200002_0000001_0
RT 0.880523 0.0981151 -0.463738 -0.285708 -0.670787 -0.684409 -0.37822 0.735131 -0.562611 -19.8125 44.1291 -47.5501   HKH_2021_1WEJ_run_2_complex.882_chain_B_13_0000200002_0000001_0
RT -0.292363 -0.726381 0.622008 -0.508527 0.668931 0.542155 -0.809892 -0.157802 -0.564955 -15.6358 30.0671 25.1797   HKH_2021_1WEJ_run_2_complex.882_chain_B_13_0000200002_0000001_0
RT -0.524849 -0.703038 -0.479865 -0.0668477 -0.527969 0.846629 -0.848566 0.47643 0.230108 4.19288 2.71776 -1.38786   HKH_2021_1WEJ_run_2_complex.882_chain_B_13_0000200002_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]IQMTQSPASLSASVGETVTITC[CYS:disulfide]RASGNIH[HIS_D]NYLAWYQQKQGKSPQLLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYC[CYS:disulfide]QHFWSTPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVC[CYS:disulfide]FLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERH[HIS_D]NSYTC[CYS:disulfide]EATHKTSTSPIVKSFNRNEC[CYS:disulfide:CtermTruncation]E[GLU:NtermTruncation]VQLQQSGAELVKPGASVKLSC[CYS:disulfide]TASGFNIKDTYMHWVKQRPEKGLEWIGRIDPASGNTKYDPKFQDKATITADTSSNTAYLQLSSLTSEDTAVYYC[CYS:disulfide]AGYDYGNFDYWGQGTTLTVSSAETTPPSVYPLAPGTAALKSSMVTLGC[CYS:disulfide]LVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVTC[CYS:disulfide]NVAHPASSTKVDKKIVPRNC[CYS:disulfide]GGDC[CYS:CtermProteinFull]G[GLY:NtermProteinFull]DVEKGKKIFVQKCAQCH[HIS_D]TVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE[GLU:CtermProteinFull]X HKH_2021_1WEJ_run_2_complex.882_chain_B_13_0000200002_0000001_0
NONCANONICAL_CONNECTION: 88  SG  23  SG
NONCANONICAL_CONNECTION: 194  SG  134  SG
NONCANONICAL_CONNECTION: 310  SG  236  SG
NONCANONICAL_CONNECTION: 413  SG  358  SG
NONCANONICAL_CONNECTION: 433  SG  214  SG
CHAIN_ENDINGS  437 HKH_2021_1WEJ_run_2_complex.882_chain_B_13_0000200002_0000001_0
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LvlaPBlJUIGktQeNQvlaTBlJUIGktQeNQvlaPBlJUQGktQeNQ HKH_2021_1WEJ_run_2_complex.882_chain_B_13_0000200002_0000001_0
SCORE:  -1776.184  -3116.292    307.602   2057.182               -159.817                 46.647                106.043   1108.052      -1175.050            -5.494                 -37.023  -1136.273         -161.890       -120.135       -263.098       -161.373     -67.462       -3.642                   28.175      5.611        31.413       235.427        415.653   -142.029     188.203   -114.818       0.000         58.106        300.097   2341.000 HKH_2021_1WEJ_run_1_complex.316_chain_B_1_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1WEJ_run_1_complex.316_chain_B_1_0000100001_0000001_0
RES_NUM A:1-437 B:438-542 HKH_2021_1WEJ_run_1_complex.316_chain_B_1_0000100001_0000001_0
FOLD_TREE  EDGE 542 258 3  EDGE 258 215 -1  EDGE 258 437 -1  EDGE 215 214 1  EDGE 214 1 -1  EDGE 1 438 2  EDGE 438 541 -1  HKH_2021_1WEJ_run_1_complex.316_chain_B_1_0000100001_0000001_0
RT 0.794948 0.380078 -0.472862 -0.226336 -0.537354 -0.812418 -0.562876 0.752856 -0.341143 -17.8114 47.7786 -45.4224   HKH_2021_1WEJ_run_1_complex.316_chain_B_1_0000100001_0000001_0
RT 0.681374 -0.417895 0.60091 0.686646 0.0806476 -0.722505 0.253469 0.904909 0.341897 -13.8476 19.7215 24.7977   HKH_2021_1WEJ_run_1_complex.316_chain_B_1_0000100001_0000001_0
RT -0.527302 -0.700061 -0.481526 -0.0646939 -0.531992 0.844274 -0.847211 0.47634 0.235231 2.91429 2.03066 -0.934981   HKH_2021_1WEJ_run_1_complex.316_chain_B_1_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]IQMTQSPASLSASVGETVTITC[CYS:disulfide]RASGNIHNYLAWYQQKQGKSPQLLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYC[CYS:disulfide]QHFWSTPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVC[CYS:disulfide]FLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERH[HIS_D]NSYTC[CYS:disulfide]EATHKTSTSPIVKSFNRNEC[CYS:disulfide:CtermTruncation]E[GLU:NtermTruncation]VQLQQSGAELVKPGASVKLSC[CYS:disulfide]TASGFNIKDTYMHWVKQRPEKGLEWIGRIDPASGNTKYDPKFQDKATITADTSSNTAYLQLSSLTSEDTAVYYC[CYS:disulfide]AGYDYGNFDYWGQGTTLTVSSAETTPPSVYPLAPGTAALKSSMVTLGC[CYS:disulfide]LVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVTC[CYS:disulfide]NVAHPASSTKVDKKIVPRNC[CYS:disulfide]GGDC[CYS:CtermProteinFull]G[GLY:NtermProteinFull]DVEKGKKIFVQKCAQCH[HIS_D]TVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE[GLU:CtermProteinFull]X HKH_2021_1WEJ_run_1_complex.316_chain_B_1_0000100001_0000001_0
NONCANONICAL_CONNECTION: 88  SG  23  SG
NONCANONICAL_CONNECTION: 194  SG  134  SG
NONCANONICAL_CONNECTION: 310  SG  236  SG
NONCANONICAL_CONNECTION: 413  SG  358  SG
NONCANONICAL_CONNECTION: 433  SG  214  SG
CHAIN_ENDINGS  437 HKH_2021_1WEJ_run_1_complex.316_chain_B_1_0000100001_0000001_0
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LYJGKBRavNG06aJOQYJGOBRavNG06aJOQYJGKBRavVG06aJOQ HKH_2021_1WEJ_run_1_complex.316_chain_B_1_0000100001_0000001_0
SCORE:  -1800.597  -3108.315    302.767   2070.265               -161.692                 47.783                108.120   1113.275      -1177.834            -5.273                 -35.639  -1168.301         -159.298       -119.580       -264.272       -161.728     -70.952       -3.603                   22.110      5.257        32.638       235.708        414.594   -145.002     187.702   -114.818       0.000         57.152        298.338  22026.000 HKH_2021_1WEJ_run_2_complex.425_chain_B_9_0000100001_0000001_0
RES_NUM A:1-437 B:438-541 z:1 HKH_2021_1WEJ_run_2_complex.425_chain_B_9_0000100001_0000001_0
FOLD_TREE  EDGE 542 258 3  EDGE 258 215 -1  EDGE 258 437 -1  EDGE 215 214 1  EDGE 214 1 -1  EDGE 1 438 2  EDGE 438 541 -1  HKH_2021_1WEJ_run_2_complex.425_chain_B_9_0000100001_0000001_0
RT 0.805182 0.234124 -0.544856 -0.359929 -0.537261 -0.762759 -0.47131 0.81027 -0.348324 -19.0911 43.9112 -48.2809   HKH_2021_1WEJ_run_2_complex.425_chain_B_9_0000100001_0000001_0
RT 0.863861 -0.0910312 0.495436 0.489981 -0.0763677 -0.868382 0.116885 0.992916 -0.0213675 -7.39119 18.6067 27.4639   HKH_2021_1WEJ_run_2_complex.425_chain_B_9_0000100001_0000001_0
RT -0.497991 -0.708214 -0.500439 -0.0546874 -0.550289 0.833181 -0.865456 0.442284 0.235308 2.22452 2.43378 -0.799873   HKH_2021_1WEJ_run_2_complex.425_chain_B_9_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]IQMTQSPASLSASVGETVTITC[CYS:disulfide]RASGNIH[HIS_D]NYLAWYQQKQGKSPQLLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYC[CYS:disulfide]QHFWSTPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVC[CYS:disulfide]FLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERH[HIS_D]NSYTC[CYS:disulfide]EATHKTSTSPIVKSFNRNEC[CYS:disulfide:CtermTruncation]E[GLU:NtermTruncation]VQLQQSGAELVKPGASVKLSC[CYS:disulfide]TASGFNIKDTYMHWVKQRPEKGLEWIGRIDPASGNTKYDPKFQDKATITADTSSNTAYLQLSSLTSEDTAVYYC[CYS:disulfide]AGYDYGNFDYWGQGTTLTVSSAETTPPSVYPLAPGTAALKSSMVTLGC[CYS:disulfide]LVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVTC[CYS:disulfide]NVAHPASSTKVDKKIVPRNC[CYS:disulfide]GGDC[CYS:CtermProteinFull]G[GLY:NtermProteinFull]DVEKGKKIFVQKCAQCH[HIS_D]TVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE[GLU:CtermProteinFull]X HKH_2021_1WEJ_run_2_complex.425_chain_B_9_0000100001_0000001_0
NONCANONICAL_CONNECTION: 88  SG  23  SG
NONCANONICAL_CONNECTION: 194  SG  134  SG
NONCANONICAL_CONNECTION: 310  SG  236  SG
NONCANONICAL_CONNECTION: 413  SG  358  SG
NONCANONICAL_CONNECTION: 433  SG  214  SG
CHAIN_ENDINGS  437 HKH_2021_1WEJ_run_2_complex.425_chain_B_9_0000100001_0000001_0
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SCORE:  -1692.742  -3245.968    339.363   2184.470               -163.555                 50.976                110.684   1157.655      -1230.093            -6.235                 -41.057  -1158.279         -170.190       -111.431       -268.184       -158.824     -72.524       -3.688                   50.780     11.306        42.640       242.178        416.255   -141.359     184.768   -114.818       0.000         69.508        332.878   1838.000 HKH_2021_1WEJ_run_1_complex.41_chain_B_13_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1WEJ_run_1_complex.41_chain_B_13_0000100001_0000001_0
RES_NUM A:1-437 B:438-542 HKH_2021_1WEJ_run_1_complex.41_chain_B_13_0000100001_0000001_0
FOLD_TREE  EDGE 542 256 3  EDGE 256 215 -1  EDGE 256 437 -1  EDGE 215 214 1  EDGE 214 1 -1  EDGE 1 438 2  EDGE 438 541 -1  HKH_2021_1WEJ_run_1_complex.41_chain_B_13_0000100001_0000001_0
RT 0.794915 0.228459 -0.562065 -0.402263 -0.495056 -0.770132 -0.454197 0.838287 -0.301627 -18.8587 43.9924 -48.7092   HKH_2021_1WEJ_run_1_complex.41_chain_B_13_0000100001_0000001_0
RT -0.834105 -0.266025 -0.483218 0.506689 -0.715763 -0.480573 -0.218025 -0.645689 0.731813 13.9645 -5.14138 -29.3259   HKH_2021_1WEJ_run_1_complex.41_chain_B_13_0000100001_0000001_0
RT -0.375997 0.864978 0.332325 0.926621 0.351123 0.134486 -0.000359728 0.358506 -0.933527 -4.48784 -1.18046 -2.67817   HKH_2021_1WEJ_run_1_complex.41_chain_B_13_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]IQMTQSPASLSASVGETVTITC[CYS:disulfide]RASGNIHNYLAWYQQKQGKSPQLLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYC[CYS:disulfide]QHFWSTPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVC[CYS:disulfide]FLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERH[HIS_D]NSYTC[CYS:disulfide]EATHKTSTSPIVKSFNRNEC[CYS:disulfide:CtermTruncation]E[GLU:NtermTruncation]VQLQQSGAELVKPGASVKLSC[CYS:disulfide]TASGFNIKDTYMHWVKQRPEKGLEWIGRIDPASGNTKYDPKFQDKATITADTSSNTAYLQLSSLTSEDTAVYYC[CYS:disulfide]AGYDYGNFDYWGQGTTLTVSSAETTPPSVYPLAPGTAALKSSMVTLGC[CYS:disulfide]LVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVTC[CYS:disulfide]NVAHPASSTKVDKKIVPRNC[CYS:disulfide]GGDC[CYS:CtermProteinFull]G[GLY:NtermProteinFull]DVEKGKKIFVQKCAQCH[HIS_D]TVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE[GLU:CtermProteinFull]X HKH_2021_1WEJ_run_1_complex.41_chain_B_13_0000100001_0000001_0
NONCANONICAL_CONNECTION: 88  SG  23  SG
NONCANONICAL_CONNECTION: 194  SG  134  SG
NONCANONICAL_CONNECTION: 310  SG  236  SG
NONCANONICAL_CONNECTION: 413  SG  358  SG
NONCANONICAL_CONNECTION: 433  SG  214  SG
CHAIN_ENDINGS  437 HKH_2021_1WEJ_run_1_complex.41_chain_B_13_0000100001_0000001_0
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LigE2A50zVGEimT8vigE+A50zVGEimT8vigE2A50zdGEimT8v HKH_2021_1WEJ_run_1_complex.41_chain_B_13_0000100001_0000001_0
SCORE:  -1735.627  -3163.006    321.150   2099.279               -160.045                 47.633                106.392   1124.878      -1195.209            -5.470                 -36.071  -1151.380         -161.070       -120.012       -273.264       -158.264     -70.766       -4.538                   34.246     10.390        36.448       239.727        419.067   -140.509     191.669   -114.818       0.000         60.505        327.409    458.000 HKH_2021_1WEJ_run_1_complex.723_chain_B_2_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1WEJ_run_1_complex.723_chain_B_2_0000100001_0000001_0
RES_NUM A:1-437 B:438-542 HKH_2021_1WEJ_run_1_complex.723_chain_B_2_0000100001_0000001_0
FOLD_TREE  EDGE 542 256 3  EDGE 256 215 -1  EDGE 256 437 -1  EDGE 215 214 1  EDGE 214 1 -1  EDGE 1 438 2  EDGE 438 541 -1  HKH_2021_1WEJ_run_1_complex.723_chain_B_2_0000100001_0000001_0
RT 0.644958 0.0665781 -0.761312 -0.36656 -0.847171 -0.384624 -0.670569 0.527133 -0.521985 -16.6389 58.0228 -32.3653   HKH_2021_1WEJ_run_1_complex.723_chain_B_2_0000100001_0000001_0
RT -0.19934 0.964887 -0.171046 -0.938113 -0.238351 -0.251264 -0.28321 0.110374 0.952685 2.417 48.8711 -8.93734   HKH_2021_1WEJ_run_1_complex.723_chain_B_2_0000100001_0000001_0
RT 0.0286031 0.989237 0.1435 0.994972 -0.0143918 -0.0991113 -0.0959793 0.145613 -0.984675 5.80625 4.64277 1.33277   HKH_2021_1WEJ_run_1_complex.723_chain_B_2_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]IQMTQSPASLSASVGETVTITC[CYS:disulfide]RASGNIHNYLAWYQQKQGKSPQLLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYC[CYS:disulfide]QHFWSTPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVC[CYS:disulfide]FLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERH[HIS_D]NSYTC[CYS:disulfide]EATHKTSTSPIVKSFNRNEC[CYS:disulfide:CtermTruncation]E[GLU:NtermTruncation]VQLQQSGAELVKPGASVKLSC[CYS:disulfide]TASGFNIKDTYMHWVKQRPEKGLEWIGRIDPASGNTKYDPKFQDKATITADTSSNTAYLQLSSLTSEDTAVYYC[CYS:disulfide]AGYDYGNFDYWGQGTTLTVSSAETTPPSVYPLAPGTAALKSSMVTLGC[CYS:disulfide]LVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVTC[CYS:disulfide]NVAHPASSTKVDKKIVPRNC[CYS:disulfide]GGDC[CYS:CtermProteinFull]G[GLY:NtermProteinFull]DVEKGKKIFVQKCAQCH[HIS_D]TVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE[GLU:CtermProteinFull]X HKH_2021_1WEJ_run_1_complex.723_chain_B_2_0000100001_0000001_0
NONCANONICAL_CONNECTION: 88  SG  23  SG
NONCANONICAL_CONNECTION: 194  SG  134  SG
NONCANONICAL_CONNECTION: 310  SG  236  SG
NONCANONICAL_CONNECTION: 413  SG  358  SG
NONCANONICAL_CONNECTION: 433  SG  214  SG
CHAIN_ENDINGS  437 HKH_2021_1WEJ_run_1_complex.723_chain_B_2_0000100001_0000001_0
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LXNLECdbty9711fVQIZmFC1pzm9bvZMVQMO0FC1F2Z9rA7rTQHZqGC56LS3rvIMTQzyVGCxjgEAc2T1VQY12HCF0n9/rtWsVQliiIChvOGBsPtcWQPrDKCxOa+AcFTYWQ6WuKCZd1BCckWJXQLtyDCZ06Y/LfFFWQ+FBGC1INZxjO3lVQpvFGCJYCIAsuI5WQnQAGC9ZEABsD3XVQWdIIC5ZVCAMc4oUQkVMICBeqC+bgwFWQkzOICthHEBM18fXQXSPIChZ1BCsCACWQYnYKCdQEBBcg7VVQmUWKCxA/AAMgozWQ6RuLCVIv8B8yFHXQduZKC1yHACcRBEYQ4BeKChUfeCMyNxWQ HKH_2021_1WEJ_run_1_complex.723_chain_B_2_0000100001_0000001_0
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Lf5ZYBNvEuF0zCxBQf5ZcBNvEuF0zCxBQf5ZYBNvE+F0zCxBQ HKH_2021_1WEJ_run_1_complex.723_chain_B_2_0000100001_0000001_0
SCORE:  -1778.070  -3194.009    321.276   2146.639               -163.120                 48.686                109.008   1147.857      -1211.669            -5.958                 -40.108  -1202.233         -166.621       -120.747       -267.046       -159.028     -78.405       -3.594                   33.237      6.568        37.647       245.900        423.409   -140.190     191.702   -114.818       0.000         63.578        313.969  14529.000 HKH_2021_1WEJ_run_1_complex.164_chain_B_19_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1WEJ_run_1_complex.164_chain_B_19_0000100001_0000001_0
RES_NUM A:1-437 B:438-542 HKH_2021_1WEJ_run_1_complex.164_chain_B_19_0000100001_0000001_0
FOLD_TREE  EDGE 542 256 3  EDGE 256 215 -1  EDGE 256 437 -1  EDGE 215 214 1  EDGE 214 1 -1  EDGE 1 438 2  EDGE 438 541 -1  HKH_2021_1WEJ_run_1_complex.164_chain_B_19_0000100001_0000001_0
RT 0.765319 0.38694 -0.514358 -0.290197 -0.505862 -0.812336 -0.574519 0.770961 -0.274857 -19.4812 44.2149 -48.5816   HKH_2021_1WEJ_run_1_complex.164_chain_B_19_0000100001_0000001_0
RT 0.306694 0.388485 0.868918 0.477966 -0.852321 0.212361 0.823096 0.350183 -0.447084 -17.8839 -19.8731 -14.079   HKH_2021_1WEJ_run_1_complex.164_chain_B_19_0000100001_0000001_0
RT -0.0621374 0.971802 0.227464 0.997076 0.0502855 0.0575398 0.0444792 0.230374 -0.972085 -1.93819 -1.28478 -2.04126   HKH_2021_1WEJ_run_1_complex.164_chain_B_19_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]IQMTQSPASLSASVGETVTITC[CYS:disulfide]RASGNIHNYLAWYQQKQGKSPQLLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYC[CYS:disulfide]QHFWSTPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVC[CYS:disulfide]FLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERH[HIS_D]NSYTC[CYS:disulfide]EATHKTSTSPIVKSFNRNEC[CYS:disulfide:CtermTruncation]E[GLU:NtermTruncation]VQLQQSGAELVKPGASVKLSC[CYS:disulfide]TASGFNIKDTYMHWVKQRPEKGLEWIGRIDPASGNTKYDPKFQDKATITADTSSNTAYLQLSSLTSEDTAVYYC[CYS:disulfide]AGYDYGNFDYWGQGTTLTVSSAETTPPSVYPLAPGTAALKSSMVTLGC[CYS:disulfide]LVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVTC[CYS:disulfide]NVAHPASSTKVDKKIVPRNC[CYS:disulfide]GGDC[CYS:CtermProteinFull]G[GLY:NtermProteinFull]DVEKGKKIFVQKCAQCH[HIS_D]TVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE[GLU:CtermProteinFull]X HKH_2021_1WEJ_run_1_complex.164_chain_B_19_0000100001_0000001_0
NONCANONICAL_CONNECTION: 88  SG  23  SG
NONCANONICAL_CONNECTION: 194  SG  134  SG
NONCANONICAL_CONNECTION: 310  SG  236  SG
NONCANONICAL_CONNECTION: 413  SG  358  SG
NONCANONICAL_CONNECTION: 433  SG  214  SG
CHAIN_ENDINGS  437 HKH_2021_1WEJ_run_1_complex.164_chain_B_19_0000100001_0000001_0
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Lkli5A9w6hGUt9N4vySxAB9w6hGUt9N4vkli5A9w6pGUt9N4v HKH_2021_1WEJ_run_1_complex.164_chain_B_19_0000100001_0000001_0
SCORE:  -1780.149  -3106.879    306.573   2055.890               -160.317                 48.022                106.112   1105.207      -1173.123            -5.454                 -36.722  -1146.960         -162.424       -119.832       -262.166       -154.852     -71.922       -3.679                   23.472      5.250        34.148       234.741        415.660   -140.550     188.165   -114.818       0.000         59.732        296.579  12504.000 HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
RES_NUM A:1-437 B:438-541 z:1 HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
FOLD_TREE  EDGE 542 253 3  EDGE 253 215 -1  EDGE 253 437 -1  EDGE 215 214 1  EDGE 214 1 -1  EDGE 1 438 2  EDGE 438 541 -1  HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
RT 0.776251 0.37867 -0.504027 -0.287349 -0.499101 -0.817514 -0.561128 0.779427 -0.278618 -18.8041 43.6542 -48.9925   HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
RT -0.0637246 0.466853 -0.882036 -0.506912 0.746182 0.43157 0.859639 0.474616 0.189103 21.7602 20.7116 17.3239   HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
RT -0.300545 0.365671 -0.880885 0.760659 0.649076 0.00991754 0.575388 -0.667072 -0.473227 2.32033 -2.45784 0.14637   HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]IQMTQSPASLSASVGETVTITC[CYS:disulfide]RASGNIH[HIS_D]NYLAWYQQKQGKSPQLLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYC[CYS:disulfide]QHFWSTPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVC[CYS:disulfide]FLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERH[HIS_D]NSYTC[CYS:disulfide]EATHKTSTSPIVKSFNRNEC[CYS:disulfide:CtermTruncation]E[GLU:NtermTruncation]VQLQQSGAELVKPGASVKLSC[CYS:disulfide]TASGFNIKDTYMHWVKQRPEKGLEWIGRIDPASGNTKYDPKFQDKATITADTSSNTAYLQLSSLTSEDTAVYYC[CYS:disulfide]AGYDYGNFDYWGQGTTLTVSSAETTPPSVYPLAPGTAALKSSMVTLGC[CYS:disulfide]LVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVTC[CYS:disulfide]NVAHPASSTKVDKKIVPRNC[CYS:disulfide]GGDC[CYS:CtermProteinFull]G[GLY:NtermProteinFull]DVEKGKKIFVQKCAQCH[HIS_D]TVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE[GLU:CtermProteinFull]X HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
NONCANONICAL_CONNECTION: 88  SG  23  SG
NONCANONICAL_CONNECTION: 194  SG  134  SG
NONCANONICAL_CONNECTION: 310  SG  236  SG
NONCANONICAL_CONNECTION: 413  SG  358  SG
NONCANONICAL_CONNECTION: 433  SG  214  SG
CHAIN_ENDINGS  437 HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
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LXGwRBRNtW9LI3MlQ9tNRB5l4c+7je2kQBzdLB9/KA/bIRwkQQKpJBdOII+r3VfkQhFpUBNrrdAMa7xkQCKtUBt367A81kakQ0wbYB9QuECMByXkQjJEZBh5XSCsANAkQ09AUBtDJkCcA42jQDu5TBNTU1+bv+WlQQjmSBNNiO7LMlskQmkwYB1ooQA8zo2kQbFOTBRL5SB8Gq7kQZ5pQBtsmMBMaZVkQ3xKWBRlYIA8YmQkQmAYcBVgD6B8fMekQKo0WB9RqfC8JygkQ02SaBp3gtBcSy2jQ0tKcBFSxqCciQ/jQZjmUBBOpsCMmjnjQN1ySBFZ59CMmL/jQdVBRB9GlNCccP3jQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LM5jIBlUBNAcMG+kQ7iHDBVXxkAMj14kQCH6+A5Pav+LMp4kQ6c03AJltk+LbErkQILFBBp/nnBcvzIlQ+idBBthIFBcJHelQl5eEBJvIcCcDGHlQzAKKBF6SgA8fHMlQOiFDBtsFBBMq2okQ67z5AdJp2BcXTFlQQw3+AFFxoB83ynlQiwCDBNC8zC8tdSlQ5jLEBZD1oCsW32kQpxoIBRBtUC8lkKlQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LQ6cAB1DUT7Lc6GlQi8a6AhHcK9TWxHlQR+57AZF3J/jy9ykQt0E0AllZEAUEupkQxyK9AlcyP/DfjblQ3JN2AtgR3AEXnelQsJl4AZCPqBEnMylQpma+A1ycMB0le/lQvSw0AV/mYC08vzlQYxZDBR+IS8LMqRlQ2LCyAx8u+7TQ6IlQIlQ8AxIYA+DhwplQ/jtCBJm00/DCxalQ4ft2AZMQgBEcsQlQAsJuAxnHhAEpHglQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LRc8CBJfLV/ToArkQI3zDB1ayXAkP6WkQav7ABNWYV/zQmEkQPYq8Axi4UAkBl3jQA9tJBVRLdAkSURkQ133MBZWHXBEq7ekQKJRSBhWvqBkeuWkQxayVB194fA0tbVkQWs4YBhCn//z3hlkQxv6YB9spiAUGg4kQbX7bBdlgu9Dp/hkQtRIGBFShl+zuizkQpEOCBp/WYBUvcYkQmdfLBZT37+zBhSkQgrIKBJdbzAUo+AkQUPtKBR0FJC0M2fkQchUNBRVO7AUxgukQyFzRBR2ECCEr6GkQv0IUB19TNCETxgkQFt/VBlNfCAU6KHkQsksWBpXCYBU057kQshIbB94jIAkfsElQqr+bB5ZaA8TAcTkQAWPeBpprQ8jk6tkQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LdsIBBl6Ko6DfEEkQXVD9A9w1U7796yjQL88wApTD05bhNzjQ688rAlt2j37tOijQQVe/A1Tk0/75t0jQYkbFBxVJUAMA2vjQZTZGBZDYxBs9H0jQxwzCBFdPNCMHD8jQzRwKBpi9HCcnwvjQgXZDBBnYz47xKPkQgYDABNS6C1LAtjjQ76r9AhJUPAsd8EkQwYP6AFzmdAMZAqjQiATGBh1XGAsrHfjQBuGIBF5rc/bQh5jQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LCdMsA9ztL5rsXGkQymqgA1ZyU1LoOIkQD0XaAx9rp+TgwAkQMssKAp9r4+TS00jQIXhaAl6595L2hfkQ4GhcA9E0X/rJ1nkQNbMeARQnnAc1HbkQUGtbANNct/7i76kQCyswAZSX/6rd0TkQO3gZA9j+K9r1R+jQftNiA5aLG7zzmpkQX4AKAxHpW2jmehkQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LtJWjAd+lXAUaMGkQ+1egAJGitBkyI/jQZ7OhApmf0BkLAnjQPvyUA9JKOCUrxcjQ+phnAt22YC0xjJkQUrJlA5aeIDUgzCkQOA+SARFVVDEY1HkQMgusA5mLlD0YkOkQsbtpAZBpOA0uYQkQAciQAtvI5B0X0DkQVTpmAxmRWCUZvakQ8x3vAh+uRCk6kFkQk3dmAp09LDUIoxjQsNmQAlbT2DEtBDkQgttHAl0PBDEXH/jQzOAQAtYSSDEQ2YkQHFcrA5w7CEkrpJkQNicrAp+TiDEjofkQpUv0A153bD0zvKkQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
Lm6bpAN0PNBk/wdjQ/f2qAVn4PBkG3GjQI8ohA5FXjA0zs7iQAfMbAtDZFBUx4riQZue1AtIHnAkfmAjQYrY+AZ3WgBEH1IjQ9OL2Ap0+aAUIkoiQ7PnEB59F5A0MjIjQllAvAJs2uAENJnjQxe9qAxARJC0E1BjQXHO2Ax0dS/DJkIjQbsf+A5hmMC0Sb/iQgAk8AlIOyBUOEZjQVLt9Ah407/zL0kiQwezvAZzwi/DbyiiQvgl1AN+RYB0twgiQIHeHBZL9lBUZAPjQ64fEBlFjAAUzfSjQxo0FBFv0nAU5g4iQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LL1pcAF/Wv+D4aDjQUR1KAVqMq8DJa5iQYwJt/kKIB/zh85iQk5BL/khWI/D7CqiQeO6GANghl8b4uEjQ65QiAtIDz9DVJQjQj07OAp6zy7DNwoiQiwpz/I3SX+rZG9iQgaUVA93nd+7GxDjQ1R5CApWRp77hfVjQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LDktl/I6HNAk50LjQb5lD94z4FBEtMNjQ8MLr9gxHFC0Lr8iQQ/yZ/eXMMCUyhxiQ59z096cIvBkn4ijQTDki/KLicCEJNjjQre+GA/HWVC09ejjQz+/F/+MYGD0ERjjQXq7UAL2q3Cku6jjQb8zu/WmSoDEdkjjQg2/MATOMhD0eBkjQZA8aAn5lBEUcpkjQdEV5/o78EAUc1YjQwouW/+AjgA0xHKjQImn++2W/+A0njtjQqEKX/wpYCCUX0ojQTLJNAL3qpBEQgjjQI1Z9+oNKMDUcBjjQQnDjAvpByC0zQkjQZili/OIZEEUgijjQrYDTADrxOEkBkjjQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LSZCn/w93aCUGB7iQoDcq/AdV9C062riQ3txm/gAUsCEVIViQQMxF/gyUADkEcHiQFikKA9poUDER6uiQvHkNA5z0tDUgHEjQy8XiAh/d9DUnYFjQGFr7/gugJEE6IFjQ4EEAANSpTCEd/EjQp5fA/8BNTDEMguiQ5GZXA5H88C0j6tiQlScMARUYrDEI9hiQGLzKAVnwYDU/sRjQslkjANaYHEkSXUjQO6xnAt6AiDkc3EjQKmEkAlBTJEU3/3iQ3RTAAtKLSEUv6TjQOdeAAJAHUEUfo3iQkPZW/Y6vDEkxvEjQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LByf4/8SwGCUAdQiQV/n1/ksjtB0sl6hQbnFX+wNUjBk/A0hQIq7L+2EU5BUUFihQsgVHAZPdaAkF/3hQqFiIAN5v0/ja8ghQO52WAlQEy8TrRfhQo64YAFWiV5DPPIhQlFxjAlq+09LsqGhQph3EAlLvsBkHtbiQfAsBAt+JOCkf2vhQKtlXApVbjA0e79hQZw1//MzwR/jAzBiQeBDx/gdMU/DYSbhQT17OABsStAE80WhQKZajA1zzy9TjRlhQgaYQAhZRc37tGphQ1cNJApJkW2bNKChQr+RfA1vWC+juc+gQjAgkA1wzg+bkX3gQzhJrAF8Rr8bAeMhQzg+gA1Dtb/7EmPhQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LVXFI/2MsDBkycCiQtOjAA/Ix9AEB88hQKhkLATt9KCk+/9hQHxgWAHeRYCUpGvhQ6suLAXqG9/Tw7LiQ1F4hA/uBj/Tv0HiQxWQmALy2u8TYcWiQkfkyA//JW8DsIWiQ3OF3A3snj4zp6AiQFA+h+qIYtAkg1QiQYy2BAXUPmAUjlshQ3O6DA/E5A+TJuKiQhCuJAnNZUAUodciQZ/MmAnLKtA0m1KiQw7GjADiZ/+TMI3hQpm5iAfquP6LbyRiQvRvjAvhpm9DkgmiQHU+0A7aYN47mMiiQZT71AfJoH/jORaiQL2G/A7E6l3zBCCiQ5lM1A7oqX9TtC1hQW4M0ALP/987U18hQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LaWMIAL6PiCkdcPiQ3+4SAfcvKDEXzTiQObgOALpVtD0WWDiQ4ozcAHHADEko29hQ4ODMAjxIbDUgkpiQQsi8/CbmWCUZ3aiQHOBiATKjEDEY7TiQtooUA31I4DEaCtiQ+GrPArtIDDEej1iQQcM2/O9dhDU5gpiQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LWYY2/SWLuD0vp6hQhFWp/6SyHEUh5rhQLq8x/+rKCEkpbUhQ0Z8k/uH4NEk52FhQst4S+0LqNEU2VvhQE41h/8KJ4DU/+qhQKJF4+M2bVE0tYGiQ4NAg/iymYDUJc/hQanI8/OBBWE0KqvhQe5I6+Qk8ZEk1bkhQ9K8R/ACsfDEtWzhQBccv/wDrZEkLNIiQaEpP+2AXjEEBZJiQAWMQ+4w2IEU7rRiQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LEkWCAbqneDEkUQhQJvsHA7ytRDkie6gQIstfA/l8KDURI3gQXxGjAnt02CEmangQpQa2/afZqC0mmzgQUbvf+O5czC0O3ugQnJSc9QDHHDE3TegQ6sAJ/4ColCEEY8gQsvAHATx6KDUpochQlUHDAfVrrDUCyvgQyXD4/6BjSCUNaAhQljhCAHAXcCEGelgQMiYz/oEoqCUYj5gQ2Ihs+wsAWCkt0JhQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
Lf0amAjGpbDElqFhQhOByAvZ7WDk/8DhQ0mv3ATI7AEE1/FhQLXa0AH0xQEUtX8gQzpJABDaACEk+pPhQMvS2AvP+2CEhpUhQesWyAnfqICUXfRhQDTD3APWmQBkQThhQ1RO9ADmFpBkl7uhQVnW0AjXuFAEQjfhQkuQjA7rzrDkCQShQJs3zAfyEKDEUL0gQXgyzATcMBDkfmkhQqAA/AHMu2C0gVUhQHEU0AbvX9BE/QBhQZBspAn0TICU2+ShQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
LPMAFBFLSCG0IcWOQPMAJBFLSCG0IcWOQPMAFBFLSKG0IcWOQ HKH_2021_1WEJ_run_1_complex.697_chain_B_1_0000100001_0000001_0
SCORE:  -1776.279  -3122.118    308.126   2066.744               -161.435                 47.759                107.384   1107.143      -1178.768            -5.514                 -37.006  -1141.585         -162.454       -122.131       -268.406       -147.800     -71.837       -3.229                   22.021      5.944        35.781       235.100        413.146   -141.804     187.112   -114.818       0.000         61.388        304.977  15231.000 HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
RES_NUM A:1-437 B:438-541 z:1 HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
FOLD_TREE  EDGE 542 253 3  EDGE 253 215 -1  EDGE 253 437 -1  EDGE 215 214 1  EDGE 214 1 -1  EDGE 1 438 2  EDGE 438 541 -1  HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
RT 0.731373 0.431363 -0.528223 -0.308113 -0.481987 -0.820216 -0.608408 0.762636 -0.219604 -20.2528 43.7843 -48.33   HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
RT -0.192458 0.950925 -0.242284 0.275947 0.289381 0.916576 0.941708 0.109545 -0.318098 21.0407 3.12553 14.1065   HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
RT -0.306455 0.378816 -0.87326 0.764388 0.644656 0.0114005 0.567271 -0.664016 -0.487121 1.37855 -2.87055 -0.118342   HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]IQMTQSPASLSASVGETVTITC[CYS:disulfide]RASGNIHNYLAWYQQKQGKSPQLLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYC[CYS:disulfide]QHFWSTPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVC[CYS:disulfide]FLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERH[HIS_D]NSYTC[CYS:disulfide]EATHKTSTSPIVKSFNRNEC[CYS:disulfide:CtermTruncation]E[GLU:NtermTruncation]VQLQQSGAELVKPGASVKLSC[CYS:disulfide]TASGFNIKDTYMHWVKQRPEKGLEWIGRIDPASGNTKYDPKFQDKATITADTSSNTAYLQLSSLTSEDTAVYYC[CYS:disulfide]AGYDYGNFDYWGQGTTLTVSSAETTPPSVYPLAPGTAALKSSMVTLGC[CYS:disulfide]LVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVTC[CYS:disulfide]NVAHPASSTKVDKKIVPRNC[CYS:disulfide]GGDC[CYS:CtermProteinFull]G[GLY:NtermProteinFull]DVEKGKKIFVQKCAQCH[HIS_D]TVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE[GLU:CtermProteinFull]X HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
NONCANONICAL_CONNECTION: 88  SG  23  SG
NONCANONICAL_CONNECTION: 194  SG  134  SG
NONCANONICAL_CONNECTION: 310  SG  236  SG
NONCANONICAL_CONNECTION: 413  SG  358  SG
NONCANONICAL_CONNECTION: 433  SG  214  SG
CHAIN_ENDINGS  437 HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
LXescAjTK1GUayCcQtFGJA31axGEYuubQokg1/yOx6G0NAjbQ/UkCA/mkDHUapabQlXtOAfRUrGUZHGbQ901cAD8RiGkq4QbQ01JgAPN7gGk6j2bQwyIiA/+3cGUmD1aQI50iA//luGkyrJcQ/ARZAvaJ5GUq/dcQgyZiA/p95G09iubQhPlAAPYNsG0M/EcQ0v1WAXUmwGkpmvaQb4LAAvuWoGkJy2aQ HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
LD1mu+KZ44G0uYhbQLqqD/E4XBH00xUbQ13dm/oDW/GUbapaQo1r3/Iut2G0+ugaQgUl0/o8kDHUyO3bQLxvd/8MpHH0ojgcQEGoLAFHoLHkwTmbQ4ck8/IRiIHUZMHdQWzt25oXixGUVIpbQew6i8q3qIHUPBSbQnw4BA11K8GU3e/bQStnB/AHdPH0OHacQ0wbK+Q7JCHUx4ocQFNsXAlS+MHU3T+bQAqfTARedIHkk6JbQlBEEAh5KTHk1ZebQI+fq/wNVLHUD0idQGWCFAJDtAHU3KOdQAYKLApAIOHEAGBdQ HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
L+G3j/A0WHH0zFOaQr4h3/g/6GH0PMkZQvPrOAZ6iOH0D0jZQwTqOAFOmWHENy6ZQMg9P/ATUKHklWBZQ+p1C/OR2DHEx0+YQQqzq++DS4GUzUyYQ3PeC/0K01GkYHYYQN9Nl/qCPxG0l/DZQT3tI/Y9GOHkSyXaQBLlBA9M4+G0AwdZQ7AM9+sVrSHUpTGZQ38xn/8g0JHktRiYQZUug/qj+DHkCMeZQ4sXm/2qhHH0BMnYQpwoj/yTdpG0tU8YQQyq7/S2tzG0jiYZQ HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
LllfeAduaMHEWvIZQ8yvnA9fRUHEXVDZQERcmAtxlZHE2GYYQTLglAh2FUHEHMvXQFD4yAFtNPH0h0EZQ+J/1ApOEJHkTDtZQU6E2AJq4QHkQQeaQizCABtaEbHEQHVaQMRUeAlsnFHEtB3YQWzGnA9adaH0eubZQ4znzARFmJHE5XqYQaIz4AJtZVH0NW/YQ9bbwARVfCHUi0wZQ3Q+9ARpqFHEwhoZQiviABVp8fHEUjxaQiN2DB5XaXHUWANaQPkc9Al/HgHUfU7ZQ HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
L/G7mAFtIkHkz9WYQDUlmAlcrpH09bcXQGv+xAB+7rH0FSDXQLf33ApSXxHEq5wXQFoGgARzK0H0N3gXQ8PfKAZYzxH0s42XQ0LZgABy75H0gUKWQa3PnARMVoH0e+yYQgz/iAZfgkHEJMsWQN9fjABuV5HkDAJYQJR9JAxz/uHUHEYYQ55hXABLpAIkXrOWQkknoAlx47H02B5VQpv4ZANZy0HEEWZVQ HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
LsMQ1AlCvnH0si6VQWgKABN+8oH0YwgVQI8kABJJfwHUamVUQTan6A1gEwHkPqaTQKOuCBBeGeHk1cQVQJwjIBlp2eH0Vg8UQTiWLB9raUHEhi/UQ3OkJBRrgMHEmboVQMixPB9xQUHUbvSUQbJAwAhTojHkFFWVQT8YCB17ksHU8EVWQpxPCBBDHZHkU5IWQX3uABlgLaHkAcbUQrdBJB979hHktk7TQr3fKBFqNkHk4lpVQBmCSBl5gNH0vVNUQ+Z3QBZJ+aHU90xTQ HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
LiJlEBdfa3HE9KZUQtyZFBxcl/HkehYTQDLVLBRwHBIEfmLTQXJgOBt8ABIUJOIUQd9VCBFbyEI0qgzTQgaDDBdgBJIEh05SQcxEHBBJE3HU0MNVQBduDBF6l8HU1EdSQnrM8AR80DIUHc4TQwyrDBBXAGI05+yUQT/7AB907LIU5mPTQ HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
Lg69MBdqTCIUla8RQ0OHKBtJkCIkMxqQQ0oGJBt7H6HE3WEQQ5XWLB1cPyHUuKiQQZy9NBx61FIkT6oPQhNaTBtiUEI0TCWQQvbqSBBimDIkhH1RQqXANB1AJCIUFL8RQyEVGBVrvEIE63yQQaaaNB1H6EIEiYhNQq6GNBtCIKIEL/3PQrnuUBJ+pAI0jUtPQSXXWBtXaHIkcxFQQrSFVBx+NAIkUNMSQMlkTBlMUHIkDGYSQ HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
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L3kXBB1niFG0q2oNQ3kXFB1niFG0q2oNQ3kXBB1niNG0q2oNQ HKH_2021_1WEJ_run_2_complex.1096_chain_B_1_0000100001_0000001_0
SCORE:  -1742.585  -3163.918    320.818   2108.929               -159.960                 47.917                103.956   1125.812      -1194.186            -5.691                 -38.300  -1158.694         -152.291       -117.777       -266.234       -157.779     -71.467       -4.190                   36.038      7.463        36.603       242.801        410.333   -141.301     185.643   -114.818       0.000         67.421        310.286   1695.000 HKH_2021_1WEJ_run_2_complex.654_chain_B_0_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1WEJ_run_2_complex.654_chain_B_0_0000100001_0000001_0
RES_NUM A:1-437 B:438-542 HKH_2021_1WEJ_run_2_complex.654_chain_B_0_0000100001_0000001_0
FOLD_TREE  EDGE 542 256 3  EDGE 256 215 -1  EDGE 256 437 -1  EDGE 215 214 1  EDGE 214 1 -1  EDGE 1 438 2  EDGE 438 541 -1  HKH_2021_1WEJ_run_2_complex.654_chain_B_0_0000100001_0000001_0
RT 0.68587 0.527298 -0.501536 -0.542282 -0.0892634 -0.835441 -0.485296 0.844978 0.224721 -28.3072 14.3761 -60.98   HKH_2021_1WEJ_run_2_complex.654_chain_B_0_0000100001_0000001_0
RT 0.595055 -0.789105 -0.152388 0.800941 0.566611 0.19351 -0.0663555 -0.237203 0.969191 1.87241 25.4543 -25.7432   HKH_2021_1WEJ_run_2_complex.654_chain_B_0_0000100001_0000001_0
RT 0.126167 0.989446 0.0712588 0.989658 -0.120601 -0.0776647 -0.0682512 0.0803206 -0.99443 5.78294 3.93753 -3.28636   HKH_2021_1WEJ_run_2_complex.654_chain_B_0_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]IQMTQSPASLSASVGETVTITC[CYS:disulfide]RASGNIHNYLAWYQQKQGKSPQLLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYC[CYS:disulfide]QHFWSTPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVC[CYS:disulfide]FLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERH[HIS_D]NSYTC[CYS:disulfide]EATHKTSTSPIVKSFNRNEC[CYS:disulfide:CtermTruncation]E[GLU:NtermTruncation]VQLQQSGAELVKPGASVKLSC[CYS:disulfide]TASGFNIKDTYMHWVKQRPEKGLEWIGRIDPASGNTKYDPKFQDKATITADTSSNTAYLQLSSLTSEDTAVYYC[CYS:disulfide]AGYDYGNFDYWGQGTTLTVSSAETTPPSVYPLAPGTAALKSSMVTLGC[CYS:disulfide]LVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVTC[CYS:disulfide]NVAHPASSTKVDKKIVPRNC[CYS:disulfide]GGDC[CYS:CtermProteinFull]G[GLY:NtermProteinFull]DVEKGKKIFVQKCAQCH[HIS_D]TVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE[GLU:CtermProteinFull]X HKH_2021_1WEJ_run_2_complex.654_chain_B_0_0000100001_0000001_0
NONCANONICAL_CONNECTION: 88  SG  23  SG
NONCANONICAL_CONNECTION: 194  SG  134  SG
NONCANONICAL_CONNECTION: 310  SG  236  SG
NONCANONICAL_CONNECTION: 413  SG  358  SG
NONCANONICAL_CONNECTION: 433  SG  214  SG
CHAIN_ENDINGS  437 HKH_2021_1WEJ_run_2_complex.654_chain_B_0_0000100001_0000001_0
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LfQloBpb0vD0PVBBQ60BnBBR8JE0mzADQjZZnBttlMEERphIQ043nBh5ZeEUxmeJQ0iCkBl1VHE0HvvBQMUQjBlgLKEUh+g3PWVPgBNmmGEE+3K0Ph11eBBFbIEUPvizvZHBZBV/2DE0nx52vd3vnBR8KYD0Lpg9P4runB50fYEUWRIBQFnZjBRF3uD0Aw9CQXz5iBxm0SEUyFGEQxFwjBR6ZaE00ZtyP4kYkBlsJ+DEnNbrP+rafBlSatD0Oz+4PxdQeBBIaSEEz/t6P0RvfBpnbYEE5+s4vVCjgB56D6DUZRW6vGLHYBdwuEE0kWj/vJ2KYBN19pDU0H2xvHUwWBdJaOEEJGrtv HKH_2021_1WEJ_run_2_complex.654_chain_B_0_0000100001_0000001_0
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Lg2DwB9VXSEUnVbKQesaxBBIilEklGmJQHyPwBBOp4EUCiBLQiy3wBh1HLFEGcaKQ3mPxBRlGoEkCTFFQjHjuBZDPqEk+yVDQ/jgyB51RVEENGTCQNuhuB114MEUcaRJQkMhzBhLVkEUFOKKQBnPyB58I2E0ZwCEQp4etBZ1deEk+SuEQEUayB5vlXEU1FB8PSBj0Bt6PUEUtPkDQFFexBRtqGEUKaWDQ HKH_2021_1WEJ_run_2_complex.654_chain_B_0_0000100001_0000001_0
LJCWuBhaa0E0rmxMQfBEtBxn9EFUAhOOQMVgsBZ0E/EUhjkQQfWMqBFUz9EEJF/QQKviqBJd5KF0AA4MQ9NvqB1IjUFkKfJKQVAirBtdTnFER94JQRH9pBVfvIFkxAJIQ43ztBRxDlEUT+ONQdbYuBpO2SFk+ZQOQR8NpBlx/8E0fgzMQAftpBBQJWFE/TEOQ9v+pB5jjOF0ndlEQWkSpBt5m5EEDseIQ HKH_2021_1WEJ_run_2_complex.654_chain_B_0_0000100001_0000001_0
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LRHdUBhf35FkSyFBwRHdYBhf35FkSyFBwRHdUBxv7EGkSyFBw HKH_2021_1WEJ_run_2_complex.654_chain_B_0_0000100001_0000001_0
SCORE:  -1696.532  -3202.908    338.841   2159.223               -161.740                 47.679                108.000   1149.444      -1215.588            -6.111                 -40.292  -1170.312         -169.365       -120.312       -262.044       -157.524     -77.267       -4.072                   40.892      8.200        41.294       244.576        418.325   -141.050     186.457   -114.818       0.000         70.779        333.162  12598.000 HKH_2021_1WEJ_run_1_complex.511_chain_B_2_0000100001_0000001_0
RES_NUM A:1-437 B:438-541 z:1 HKH_2021_1WEJ_run_1_complex.511_chain_B_2_0000100001_0000001_0
FOLD_TREE  EDGE 542 256 3  EDGE 256 215 -1  EDGE 256 437 -1  EDGE 215 214 1  EDGE 214 1 -1  EDGE 1 438 2  EDGE 438 541 -1  HKH_2021_1WEJ_run_1_complex.511_chain_B_2_0000100001_0000001_0
RT 0.801135 0.326631 -0.501493 -0.419827 -0.290476 -0.859865 -0.426531 0.899409 -0.0955821 -19.3737 44.4292 -48.1089   HKH_2021_1WEJ_run_1_complex.511_chain_B_2_0000100001_0000001_0
RT 0.804134 -0.579109 -0.13417 0.590837 0.753783 0.287615 -0.0654255 -0.310554 0.948302 -1.25344 -20.4719 -29.535   HKH_2021_1WEJ_run_1_complex.511_chain_B_2_0000100001_0000001_0
RT -0.32013 0.939763 0.119847 0.94044 0.299957 0.159992 0.114406 0.163927 -0.979816 -2.45953 -1.42091 -2.64395   HKH_2021_1WEJ_run_1_complex.511_chain_B_2_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]IQMTQSPASLSASVGETVTITC[CYS:disulfide]RASGNIHNYLAWYQQKQGKSPQLLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYC[CYS:disulfide]QHFWSTPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVC[CYS:disulfide]FLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERH[HIS_D]NSYTC[CYS:disulfide]EATHKTSTSPIVKSFNRNEC[CYS:disulfide:CtermTruncation]E[GLU:NtermTruncation]VQLQQSGAELVKPGASVKLSC[CYS:disulfide]TASGFNIKDTYMHWVKQRPEKGLEWIGRIDPASGNTKYDPKFQDKATITADTSSNTAYLQLSSLTSEDTAVYYC[CYS:disulfide]AGYDYGNFDYWGQGTTLTVSSAETTPPSVYPLAPGTAALKSSMVTLGC[CYS:disulfide]LVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVTC[CYS:disulfide]NVAHPASSTKVDKKIVPRNC[CYS:disulfide]GGDC[CYS:CtermProteinFull]G[GLY:NtermProteinFull]DVEKGKKIFVQKCAQCH[HIS_D]TVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE[GLU:CtermProteinFull]X HKH_2021_1WEJ_run_1_complex.511_chain_B_2_0000100001_0000001_0
NONCANONICAL_CONNECTION: 88  SG  23  SG
NONCANONICAL_CONNECTION: 194  SG  134  SG
NONCANONICAL_CONNECTION: 310  SG  236  SG
NONCANONICAL_CONNECTION: 413  SG  358  SG
NONCANONICAL_CONNECTION: 433  SG  214  SG
CHAIN_ENDINGS  437 HKH_2021_1WEJ_run_1_complex.511_chain_B_2_0000100001_0000001_0
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SCORE:  -1651.002  -3203.404    350.473   2144.518               -159.944                 48.044                105.851   1154.996      -1212.694            -5.840                 -38.045  -1163.283         -159.595       -116.657       -267.302       -156.875     -82.249       -3.961                   54.029     13.595        37.209       241.419        412.221   -141.554     187.868   -114.818       0.000         73.600        351.394  13236.000 HKH_2021_1WEJ_run_2_complex.619_chain_B_2_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1WEJ_run_2_complex.619_chain_B_2_0000100001_0000001_0
RES_NUM A:1-437 B:438-542 HKH_2021_1WEJ_run_2_complex.619_chain_B_2_0000100001_0000001_0
FOLD_TREE  EDGE 542 256 3  EDGE 256 215 -1  EDGE 256 437 -1  EDGE 215 214 1  EDGE 214 1 -1  EDGE 1 438 2  EDGE 438 541 -1  HKH_2021_1WEJ_run_2_complex.619_chain_B_2_0000100001_0000001_0
RT 0.74193 0.441931 -0.504218 -0.133759 -0.639352 -0.757191 -0.656999 0.629226 -0.415243 -22.556 51.3304 -40.335   HKH_2021_1WEJ_run_2_complex.619_chain_B_2_0000100001_0000001_0
RT 0.0573297 -0.328829 -0.942648 -0.432414 0.842861 -0.320318 0.899851 0.425978 -0.0938692 -5.49334 44.7264 -26.6054   HKH_2021_1WEJ_run_2_complex.619_chain_B_2_0000100001_0000001_0
RT 0.0897379 0.994362 -0.0564848 0.987123 -0.0963386 -0.1277 -0.132422 -0.0442979 -0.990203 6.38499 4.11714 -2.84982   HKH_2021_1WEJ_run_2_complex.619_chain_B_2_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]IQMTQSPASLSASVGETVTITC[CYS:disulfide]RASGNIHNYLAWYQQKQGKSPQLLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYC[CYS:disulfide]QHFWSTPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVC[CYS:disulfide]FLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERH[HIS_D]NSYTC[CYS:disulfide]EATHKTSTSPIVKSFNRNEC[CYS:disulfide:CtermTruncation]E[GLU:NtermTruncation]VQLQQSGAELVKPGASVKLSC[CYS:disulfide]TASGFNIKDTYMHWVKQRPEKGLEWIGRIDPASGNTKYDPKFQDKATITADTSSNTAYLQLSSLTSEDTAVYYC[CYS:disulfide]AGYDYGNFDYWGQGTTLTVSSAETTPPSVYPLAPGTAALKSSMVTLGC[CYS:disulfide]LVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVTC[CYS:disulfide]NVAHPASSTKVDKKIVPRNC[CYS:disulfide]GGDC[CYS:CtermProteinFull]G[GLY:NtermProteinFull]DVEKGKKIFVQKCAQCH[HIS_D]TVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE[GLU:CtermProteinFull]X HKH_2021_1WEJ_run_2_complex.619_chain_B_2_0000100001_0000001_0
NONCANONICAL_CONNECTION: 88  SG  23  SG
NONCANONICAL_CONNECTION: 194  SG  134  SG
NONCANONICAL_CONNECTION: 310  SG  236  SG
NONCANONICAL_CONNECTION: 413  SG  358  SG
NONCANONICAL_CONNECTION: 433  SG  214  SG
CHAIN_ENDINGS  437 HKH_2021_1WEJ_run_2_complex.619_chain_B_2_0000100001_0000001_0
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L0W9TB91j5F0GEJAw0W9XB91j5F0GEJAw0W9TB96xEG0GEJAw HKH_2021_1WEJ_run_2_complex.619_chain_B_2_0000100001_0000001_0
SCORE:  -1744.016  -3194.539    322.046   2143.686               -160.431                 49.203                106.189   1145.828      -1210.230            -6.420                 -42.253  -1181.194         -162.383       -119.698       -268.146       -157.568     -77.615       -3.345                   39.036      9.026        35.962       248.908        419.955   -141.863     190.947   -114.818       0.000         63.414        322.287   8059.000 HKH_2021_1WEJ_run_1_complex.68_chain_B_6_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_1WEJ_run_1_complex.68_chain_B_6_0000100001_0000001_0
RES_NUM A:1-437 B:438-542 HKH_2021_1WEJ_run_1_complex.68_chain_B_6_0000100001_0000001_0
FOLD_TREE  EDGE 542 256 3  EDGE 256 215 -1  EDGE 256 437 -1  EDGE 215 214 1  EDGE 214 1 -1  EDGE 1 438 2  EDGE 438 541 -1  HKH_2021_1WEJ_run_1_complex.68_chain_B_6_0000100001_0000001_0
RT 0.769255 0.430602 -0.472047 -0.0821095 -0.666047 -0.741376 -0.633644 0.609067 -0.477004 -22.4369 54.0794 -36.5163   HKH_2021_1WEJ_run_1_complex.68_chain_B_6_0000100001_0000001_0
RT 0.0042641 -0.999348 -0.0358408 -0.51884 0.0284284 -0.854398 0.854861 0.0222389 -0.518381 -23.1182 43.3004 -23.9665   HKH_2021_1WEJ_run_1_complex.68_chain_B_6_0000100001_0000001_0
RT 0.0587714 0.991099 0.119449 0.992532 -0.0452017 -0.113296 -0.106889 0.125216 -0.986355 5.59208 3.46964 -3.00043   HKH_2021_1WEJ_run_1_complex.68_chain_B_6_0000100001_0000001_0
ANNOTATED_SEQUENCE: D[ASP:NtermProteinFull]IQMTQSPASLSASVGETVTITC[CYS:disulfide]RASGNIHNYLAWYQQKQGKSPQLLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYC[CYS:disulfide]QHFWSTPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVC[CYS:disulfide]FLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERH[HIS_D]NSYTC[CYS:disulfide]EATHKTSTSPIVKSFNRNEC[CYS:disulfide:CtermTruncation]E[GLU:NtermTruncation]VQLQQSGAELVKPGASVKLSC[CYS:disulfide]TASGFNIKDTYMHWVKQRPEKGLEWIGRIDPASGNTKYDPKFQDKATITADTSSNTAYLQLSSLTSEDTAVYYC[CYS:disulfide]AGYDYGNFDYWGQGTTLTVSSAETTPPSVYPLAPGTAALKSSMVTLGC[CYS:disulfide]LVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVTC[CYS:disulfide]NVAHPASSTKVDKKIVPRNC[CYS:disulfide]GGDC[CYS:CtermProteinFull]G[GLY:NtermProteinFull]DVEKGKKIFVQKCAQCH[HIS_D]TVEKGGKHKTGPNLH[HIS_D]GLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE[GLU:CtermProteinFull]X HKH_2021_1WEJ_run_1_complex.68_chain_B_6_0000100001_0000001_0
NONCANONICAL_CONNECTION: 88  SG  23  SG
NONCANONICAL_CONNECTION: 194  SG  134  SG
NONCANONICAL_CONNECTION: 310  SG  236  SG
NONCANONICAL_CONNECTION: 413  SG  358  SG
NONCANONICAL_CONNECTION: 433  SG  214  SG
CHAIN_ENDINGS  437 HKH_2021_1WEJ_run_1_complex.68_chain_B_6_0000100001_0000001_0
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