SEQUENCE: AGHHHHHHEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVCDVQRAPGQAHWLRTGWVPRRGAVHVYATLRFTMLECLSLPRAGRSCKETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGACMALLSLHLFYKKIVLEPIYWNSSNSKFLPGQGLVLYPQIGDKLDIICPKVDSKTVQYEYYKVYMVDKDQADRCTIKPLLNCARPDQDVKFTIKFQEFSPNLWGLEFQKNKDYYIISTSNGSLEGLDNQEGGVCQTRAMKILMKVGX
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:  -1017.804  -1822.356    184.230   1149.424               -111.717                 32.839                 75.411    614.939       -664.337            -3.669                 -25.328   -642.947          -98.074        -50.970       -165.896        -93.869     -43.214       -4.826                   19.308      7.636        24.717       147.781        283.435    -80.934      68.805    -48.589       0.000         42.415        187.984   8113.000 HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
RES_NUM A:1-188 B:189-321 z:1 HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
FOLD_TREE  EDGE 322 127 4  EDGE 127 1 -1  EDGE 127 188 -1  EDGE 1 189 1  EDGE 189 231 -1  EDGE 231 232 2  EDGE 232 252 -1  EDGE 252 253 3  EDGE 253 321 -1  HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
RT -0.381341 0.397677 0.834525 0.192653 0.917108 -0.348996 -0.904137 0.0276872 -0.426345 -20.5677 -23.9997 -26.3589   HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
RT -0.618101 0.778891 -0.106205 -0.785193 -0.605243 0.130972 0.0377337 0.164345 0.985681 3.17991 -4.208 -0.0922462   HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
RT -0.936562 -0.225312 -0.268488 0.273502 -0.94884 -0.157798 -0.219199 -0.22122 0.95027 -5.70783 -6.22628 -6.55761   HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
RT -0.928131 0.366845 -0.063229 0.363488 0.92975 0.0586662 0.0803085 0.0314669 -0.996273 1.3488 -0.399585 3.13764   HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]GHH[HIS_D]HH[HIS_D]HHEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVC[CYS:disulfide]DVQRAPGQAHWLRTGWVPRRGAVH[HIS_D]VYATLRFTMLEC[CYS:disulfide]LSLPRAGRSC[CYS:disulfide]KETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGAC[CYS:disulfide]MALLSLHLFYKK[LYS:CtermProteinFull]I[ILE:NtermProteinFull]VLEPIYWNSSNSKFLPGQGLVLYPQIGDKLDIIC[CYS:disulfide]PKVDSKTV[VAL:CtermTruncation]Q[GLN:NtermTruncation]YEYYKVYMVDKDQADRC[CYS:disulfide]TIK[LYS:CtermTruncation]P[PRO:NtermTruncation]LLNC[CYS:disulfide]ARPDQDVKFTIKFQEFSPNLWGLEFQKNKDYYIISTSNGSLEGLDNQEGGVC[CYS:disulfide]QTRAMKILMKVG[GLY:CtermProteinFull]X HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
NONCANONICAL_CONNECTION: 99  SG  89  SG
NONCANONICAL_CONNECTION: 176  SG  53  SG
NONCANONICAL_CONNECTION: 257  SG  223  SG
NONCANONICAL_CONNECTION: 309  SG  249  SG
CHAIN_ENDINGS  188 HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
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Lw647Bb7LOIkwlKRwLh56BP2nKIkq4LSwFDl5BTw6NI00SSTwIlm6B/OMSIkewpTwwfO9BvRUHI0LatSwzRb/BnzoKIk7MVTwld7AC7bZHIENftTwKC/BCXoKLIU6hRUwMJPDCzpbIIElqqUwqtv8BLfuRIUz8bRwCZa5B3p/HIkiyvRwUUg8BDgfEIEbFdTwNZE+BbmGFIEba5RwlOBACPYvNIklHpSwm0q+BX/hMI08APUwCpqACTpYEIUx7cUwwDVBCnFZFIUOk0SwpFOCCLeJOI0FygTwHDlBC/jNNIknZJVw2s3DCvQbLIEXvAVwz3DDCPiuFI0NOZVwdepDCLkmGIUPp3Tw HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
LKfa3BvU3LIkGt2TwgWH2BzrpOIUET9UwXXW2BX+aLIUiSOWwEhp1BPDtGIE29QWwq6GzB/fvPIUjauUwNSvyBP7DTI0q8dTwOM6xBjkmSI00g9VwG04vBTWsTI0xnATwBbt2B3oSIIEnGgTwuHH3BThdSIEZfHVwvBFyBj0FMIURTmUwsRmzBnT7WIEa8mTwyF0zBjnFRIE1FsSw6S0vB/MUTI0g6zVwZOIyBfTKQIEG+1WwOA8yBHgYWIUk0HWwDD3vBn18VI0bcFSwLeBvB7owPI0lS1SwD+suBHcyVIEGCwTw HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
L3GV3BTA+NIkmrQXwpVi3B3ybLIEquRYwn0N1BTYjNIkHrrYwoAz0BnEbSIU1VtYw6vM6Bze7MIkT6mYwAW/6Bj1BKIUu2QZw1ZB+BbzFKIElLUZwke05BvmwMIkWM4Zwcx43BXa4RI01DJXwXhW3BnrGHIk6jOYwYry7BHOTMIEErPYwHFH6BXoHRIkp/tYw1aS6BPj7FIUytPZwAJp+BHnAIIEGOxZwTY5+BLVHIIEba4Ywd6t+BLHOOIUHWVZw2ae6BDxjKIk8RUawS3i6BzM2QIEu+5Zwgpq3BPzyMI0/p3Zw HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
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LUNfxB3PSOIk62hawtolxBPAVNI0npPbw5ptuBPVONIkzwdbwgyftB3gcRIk6gibwueDzB/F2RIEgEnbwcr+1Bbu3SI017Zbw4T23Bn9MOI0VEkbwRES4BvDVNIEQ9TcwMWP6BXU/II0lobcwznRxBf4HSIUkvWawQneyBzqbJIUzbWbwNS/xBjfiVIUprgbwKx8yBr7LRIUVSJcwSQD2BnosTIUKl3awFRt2BD/WWIUKrqbwzGG3BTDgKIUQ1VbwBky5BrADPIkoIWbw4HA5B36/QIUksicwy6Z2Br4KMI0Vxicwx4e6BrXXIIUII7cwcTg5BnQjFIk6YNcwHpA8BXK5JI0qVOcw HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
L+aktB7rfII0qajbwQHtqBHJaIIUQIrbwx3DqBLQCIIkgzacwMm9qB7JWEIErGxcwHfapBzvuDIUmRSbwhyYmBHhpDIE/6ZbwNVGqBXZKEIE2ehawfrpuBD6/EIkSqhbwQk2pBneHMIkVKfbwifNqBrkAAIE7xebwo3ilBrDXAIU8KJbw8X+lBj4NDI0467bwi+flBzwXHIUCNObwZdPpBXQ1AIEKnQawpEVpB3ksHIE6dUawyjQsB73IEIUDLdaw HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
LjcdoBTC5LI0LopcwsMnnBnLVMIUFAWdwEc5pBzTKOI0auydwVyYrBjk2KI0emDewo9fqB/X8SIkF8zdw0q1nBHDxOIEnRUcwaM+lBrwLPIEpLYdwM21mBXVhIIEjAhdw HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
LO7BtAD5c3HkGk0QwO7BlAD5c3HkGk0QwO7BtAD5c/HkGk0Qw HKH_2021_2HLE_run_1_complex.242_chain_B_6_0000100001_0000001_0
SCORE:  -1019.477  -1851.081    189.767   1160.293               -109.844                 33.285                 72.923    619.976       -671.492            -3.931                 -26.370   -634.993          -98.474        -50.264       -163.789       -107.978     -45.143       -4.593                   23.534      9.295        27.823       151.416        289.675    -85.230      67.389    -48.589       0.000         40.031        196.889  12786.000 HKH_2021_2HLE_run_2_complex.615_chain_B_23_0000200002_0000001_0
RES_NUM A:1-188 B:189-321 z:1 HKH_2021_2HLE_run_2_complex.615_chain_B_23_0000200002_0000001_0
FOLD_TREE  EDGE 322 171 4  EDGE 171 1 -1  EDGE 171 188 -1  EDGE 1 189 1  EDGE 189 231 -1  EDGE 231 232 2  EDGE 232 252 -1  EDGE 252 253 3  EDGE 253 321 -1  HKH_2021_2HLE_run_2_complex.615_chain_B_23_0000200002_0000001_0
RT -0.742092 -0.112079 -0.660862 -0.22252 0.971202 0.0851603 0.632285 0.210252 -0.74566 -22.221 -52.0799 -1.71518   HKH_2021_2HLE_run_2_complex.615_chain_B_23_0000200002_0000001_0
RT -0.385646 0.918234 -0.0901301 -0.922186 -0.380524 0.0690962 0.0291498 0.109763 0.99353 3.41202 -3.67404 -0.999858   HKH_2021_2HLE_run_2_complex.615_chain_B_23_0000200002_0000001_0
RT -0.969003 -0.19225 -0.155157 0.225559 -0.944668 -0.238173 -0.100783 -0.265788 0.958749 -5.54793 -5.98393 -6.90775   HKH_2021_2HLE_run_2_complex.615_chain_B_23_0000200002_0000001_0
RT 0.521981 0.267995 0.809762 -0.852773 0.183709 0.488907 -0.0177355 -0.945743 0.324431 -2.90362 3.15893 1.54855   HKH_2021_2HLE_run_2_complex.615_chain_B_23_0000200002_0000001_0
ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]GHH[HIS_D]HH[HIS_D]HHEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVC[CYS:disulfide]DVQRAPGQAH[HIS_D]WLRTGWVPRRGAVH[HIS_D]VYATLRFTMLEC[CYS:disulfide]LSLPRAGRSC[CYS:disulfide]KETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGAC[CYS:disulfide]MALLSLHLFYKK[LYS:CtermProteinFull]I[ILE:NtermProteinFull]VLEPIYWNSSNSKFLPGQGLVLYPQIGDKLDIIC[CYS:disulfide]PKVDSKTV[VAL:CtermTruncation]Q[GLN:NtermTruncation]YEYYKVYMVDKDQADRC[CYS:disulfide]TIK[LYS:CtermTruncation]P[PRO:NtermTruncation]LLNC[CYS:disulfide]ARPDQDVKFTIKFQEFSPNLWGLEFQKNKDYYIISTSNGSLEGLDNQEGGVC[CYS:disulfide]QTRAMKILMKVG[GLY:CtermProteinFull]X HKH_2021_2HLE_run_2_complex.615_chain_B_23_0000200002_0000001_0
NONCANONICAL_CONNECTION: 99  SG  89  SG
NONCANONICAL_CONNECTION: 176  SG  53  SG
NONCANONICAL_CONNECTION: 257  SG  223  SG
NONCANONICAL_CONNECTION: 309  SG  249  SG
CHAIN_ENDINGS  188 HKH_2021_2HLE_run_2_complex.615_chain_B_23_0000200002_0000001_0
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SCORE:  -981.066  -1845.454    199.743   1167.054               -110.445                 33.230                 72.105    621.011       -672.458            -3.856                 -26.592   -653.340          -92.397        -55.683       -166.974        -97.367     -37.945       -4.792                   29.783     11.731        27.214       154.168        278.932    -79.990      68.836    -48.589       0.000         47.752        203.256   7974.000 HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
RES_NUM A:1-188 B:189-322 HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
FOLD_TREE  EDGE 322 171 4  EDGE 171 1 -1  EDGE 171 188 -1  EDGE 1 189 1  EDGE 189 231 -1  EDGE 231 232 2  EDGE 232 252 -1  EDGE 252 253 3  EDGE 253 321 -1  HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
RT 0.468193 -0.87836 -0.0963265 -0.863736 -0.477926 0.159833 -0.186428 0.00836777 -0.982433 -40.9446 -42.1868 -27.0364   HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
RT 0.460845 0.180132 0.869008 -0.804948 0.497197 0.323812 -0.373739 -0.848733 0.374127 4.28536 -0.97474 -2.40143   HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
RT -0.984541 -0.17442 -0.0160043 0.17261 -0.950674 -0.257729 0.0297383 -0.256507 0.966085 -5.33182 -5.63612 -7.33003   HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
RT 0.445642 0.119047 0.88726 -0.895189 0.0523262 0.442604 0.00626385 -0.991509 0.129889 -2.27949 -0.831642 -3.21673   HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]GHH[HIS_D]HH[HIS_D]HHEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVC[CYS:disulfide]DVQRAPGQAHWLRTGWVPRRGAVH[HIS_D]VYATLRFTMLEC[CYS:disulfide]LSLPRAGRSC[CYS:disulfide]KETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGAC[CYS:disulfide]MALLSLHLFYKK[LYS:CtermProteinFull]I[ILE:NtermProteinFull]VLEPIYWNSSNSKFLPGQGLVLYPQIGDKLDIIC[CYS:disulfide]PKVDSKTV[VAL:CtermTruncation]Q[GLN:NtermTruncation]YEYYKVYMVDKDQADRC[CYS:disulfide]TIK[LYS:CtermTruncation]P[PRO:NtermTruncation]LLNC[CYS:disulfide]ARPDQDVKFTIKFQEFSPNLWGLEFQKNKDYYIISTSNGSLEGLDNQEGGVC[CYS:disulfide]QTRAMKILMKVG[GLY:CtermProteinFull]X HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
NONCANONICAL_CONNECTION: 99  SG  89  SG
NONCANONICAL_CONNECTION: 176  SG  53  SG
NONCANONICAL_CONNECTION: 257  SG  223  SG
NONCANONICAL_CONNECTION: 309  SG  249  SG
CHAIN_ENDINGS  188 HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
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LBZZaBHVlaFUFrHgwQ7BaBvVLPFkEEnfwy78aBLQO3EUpqtfwPddaBbn7vEUJDJgwnS8WBzVleFEIqPgwacJWBHG7RF0vsZfw+x4cBjy8VFE3nRfw HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
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L8LZmBr2ciFEU66bwgK/mBv+t4FUBD0bwj7WoB/pV7FUWvIbwAk/pBP7xtFEYU8awmnvoBj/WAGUxZYcwGGYrB7a/0FE5EccwrT+sBXmi7FkoyCdwCZevBnw2tFEpFFdw92JxBPPiyFEGtqdwJnwnBfzPXFEIpxbw54HlBbawAGEDxzbw/fLpBbdzIGU/dTcwpernBDcG/FEuE2cwLBBrB/z7jFkMydcwYQlsB7YP4FEdz/bwwchtBnUMGGU7kAdwGWyrBvRG5FEKxfdwWd3uBHjFdFEsbGdwHZqwBzwUwF0qSocwtEwyB798nFE34odwClzxB7l5AGEfDqdwc+GwBjX7vF0UyFew HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
Lru0nBvIjGGEJHzawfBLpBHX1IGkjwKaw2z8qBbQkSGUIwOawzBEqBTINbG0FibawDROnBDLPLGE+TlZwwMWlBHV4BGEJjdZwww3oBfgsNGE1z7YwD6/iBLpiEGEjSAZww8cmBDKtLGUt0/aw8paqBT5BCGUUHCawv8DmB7uESG0HfsZwZYdmBLBr2FkauPZw0DlkBDmp+FUh07Zw8xjnBXGhPGUXehYwKHKqBDTfUGEYqAZwbIGqBXSzGGk1qzYwHNvhBTzF7FUzs8YwME1hBfY/KG00XOZwDfrjB/nCHGkAShYw HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
LR8ctBDDMRGUuzCawSgWvBLU7ZGUJ0AawV7mvB3VkdGEUYTZwjAXwBbITXGUlU3Yw47GyBH7lWGE47QawLkd0BPIveGkrjIaw0cB0BntbpGkbefawCTC3Bb0dZGUH2XawVZBuBHZrJGUeP5ZwDUmuBnpkgG01AUawI3+xBHzOVGEyRzaw37myBTuIPGEnwBawk+m0BD0YgGUOOmZwu6s1B3RwuGU6yYawY0LyB3iTtGEI1Uaw4M7zBrs8nG0bwAbwMyt4BjzveGUNOSawLl42B77zXG02B6aw+7V3BLJASGEFkGaw HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
LXY+uBLamnG0ybLZwyWOvBfdbrGkzUgYwBqixBvlKzGErDeYwwilxBDRZ7GkqD0YwLWpsBDdxwG0EbSYw0aPqBbtkpGE9/WYwBoPnBbxwuGkN0/Xw3fkmBfeL6GE5lfYw8kSuBT5gsGUmTjZwutqvBfRzkGUf2KYwHoVsBfHs3G00HmYwp/zsBXgazGUABjXwHpsqBHD/hGEmiIYw7w3pBr3NoGkdG5YwMEykBvzA+GkRAUYwmMUmBT613G0nHBZwbnMoB78r/GkmucYw HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
LksczBPoowGUnfCYwGcv1Bz8f3Gk/I3XwOM+0BbGR+GkGRrWw4YL1BfFp6GkykiVwLZP4B7J5wG0SNjXw8fE5BT7soG0UUUYwQ545B/Z1tGEDu+YwNgj8Bvl1zGEDA8YwlnW9BfnH4GUJTmZw9tVzBLHipG0xUkXwFgD2B3zw8GUL+WYwpt23BPdUsGUOopWw0155BP5K2GUXUVXw9cZ3BXlPjGUDHaYwBSv6BzCDkG09rIYwOlV4BH9RzGEeLKZwqeH6B/tknGkpJWZwqyG+B/keuGUdVwYwFtW8BvYi6GkvHmYwcGF/B/RL8GE9EkZw6w27B3zM9GU4lwZwpgj9BDvKyGECn7Zw HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
Lal6zBrkxHHkRy7WwUKwyB3dBOHkrD3VwGvx0BvRPVHU4pKVwlnC2BvBEcHEQrzVwecZwBzqmUH0YFcWwhpKvBTXvbHUUWYVwc1PuBzhxMHU/8BXwPW6zBvX2KHEX54Xwm79xBPuhIH0ETHVwFfKxBDb0ZH0PAPXw2LntBXaMgH0kI2VwXhqwBb0RhH0jl/Uw4eXuBTj5WH0KAkUw2PosBT3LRHEm8cXwa6etBfxwHHEMuQWwAsJvBjO3HHUHmzXw HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
L7w90BPD1TH0Mz1TwUEw2BX8xZH0R19SwIKr5B3rtXH0SPTTw2Y16B/FfdHE1/GUwH4r6BnfFPHU2T/Sw1Q1zBPg2NHEqraTwq3X2Bj8ZXHEXx7RwbKU2BTJRiH0XNCTw HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
LkhYBA35+DHEjSeVwJDxi/25+DHEjSeVwkhYBA35+LHEjSeVw HKH_2021_2HLE_run_1_complex.219_chain_B_6_0000100001_0000001_0
SCORE:  -1038.603  -1835.743    182.641   1148.342               -109.740                 33.013                 72.140    613.483       -668.205            -3.794                 -25.777   -634.676          -93.835        -53.314       -163.508        -96.858     -40.092       -4.830                   18.109      9.752        23.544       150.999        276.814    -81.732      69.474    -48.589       0.000         40.230        183.549   9082.000 HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
RES_NUM A:1-188 B:189-321 z:1 HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
FOLD_TREE  EDGE 322 171 4  EDGE 171 1 -1  EDGE 171 188 -1  EDGE 1 189 1  EDGE 189 231 -1  EDGE 231 232 2  EDGE 232 252 -1  EDGE 252 253 3  EDGE 253 321 -1  HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
RT -0.937397 0.348028 -0.0128125 0.26024 0.675546 -0.689864 -0.231437 -0.650011 -0.723825 -40.5163 -35.8913 -17.5953   HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
RT -0.444875 0.889576 -0.103643 -0.894999 -0.43738 0.0876072 0.032602 0.131734 0.990749 3.39381 -3.77641 -0.789349   HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
RT -0.96737 -0.176301 -0.181971 0.210262 -0.959336 -0.188323 -0.14137 -0.220439 0.965102 -5.27952 -6.21343 -6.54069   HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
RT 0.466735 0.212807 0.858412 -0.883885 0.0792198 0.460946 0.0300894 -0.973877 0.225072 -2.80776 3.30284 6.14275   HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]GHH[HIS_D]HHHHEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVC[CYS:disulfide]DVQRAPGQAHWLRTGWVPRRGAVH[HIS_D]VYATLRFTMLEC[CYS:disulfide]LSLPRAGRSC[CYS:disulfide]KETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGAC[CYS:disulfide]MALLSLHLFYKK[LYS:CtermProteinFull]I[ILE:NtermProteinFull]VLEPIYWNSSNSKFLPGQGLVLYPQIGDKLDIIC[CYS:disulfide]PKVDSKTV[VAL:CtermTruncation]Q[GLN:NtermTruncation]YEYYKVYMVDKDQADRC[CYS:disulfide]TIK[LYS:CtermTruncation]P[PRO:NtermTruncation]LLNC[CYS:disulfide]ARPDQDVKFTIKFQEFSPNLWGLEFQKNKDYYIISTSNGSLEGLDNQEGGVC[CYS:disulfide]QTRAMKILMKVG[GLY:CtermProteinFull]X HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
NONCANONICAL_CONNECTION: 99  SG  89  SG
NONCANONICAL_CONNECTION: 176  SG  53  SG
NONCANONICAL_CONNECTION: 257  SG  223  SG
NONCANONICAL_CONNECTION: 309  SG  249  SG
CHAIN_ENDINGS  188 HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
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LD602BJy3XJk3Uiew0tT2BpOwWJEr50dwLWdzB9UGYJEt0mdwEvBzBNMibJENbLdwfK73BpTJbJEqPpewGqs2B5LiSJEJmudwfGu3BtiAZJUybhdw HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
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LcHkxBrL0uCkGgaQQX/hxB7la7C0yUBOQa//uB/97TD0LpWNQ1+BvBHvByDEhbwLQFD9zB3hYWDkAOVNQZ8wxB7sYPC0+yoQQVekxBH6beCEl8zMQXI6zBz9FeDU5ZPLQORw1B/OkED0glwNQt78zBPF0zD0IDgOQ HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
LWPvsBT/bGD0mrdOQ9VQqB3QncDkVK4NQFp+oBjZZNDUqISLQCSAnBT4K1CEhAPLQSFcoB3iHbD0VHIQQJlgpBrWM2DUNLSRQqhhnBLs/zDEFYySQszpkBr8XIEEMrPSQsAwsBLcnsC07luPQtAvqBbOA+DkG0mNQCdWoBDQJ7CUHkdQQx3cmBj1alDEB0qPQSTnpBvXuLEEzJ9QQe1hrB/kDsDUV9gRQxkOjBj2OJE0oIDTQCBxjBrORAEEmEbRQbWOlBDQhYEkbG8RQ HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
LXGQqBz6EdD0beLJQb8rpBn2rWDk7kvEQqvOqBntDAEUuqoBQWgJsBD+lLEkce4CQ7CbrB79OyCUumrCQitYuBHTn6CUElNDQtfFwBXPrUC0/huBQK2/yBra9fCkuhvCQwO30BD1P5BEUmlBQZl4rB/T8uDkLwrJQP/lnB7pdODE/3UEQaVArBb+QtCUHU68PME8qBzyUVC0V0zEQ8L2uBf/ZDDUlnRHQ8X8uBzOFVD0BGnAQBHzvBrDmMCkCFD7PICivBPnJyBkj3LEQmPNzBLNwoCUs+7GQO7izBjDZ7CUPbSAQQIw2BjfUICUl2iCQpix0B/fWoBUZWZ7PTUb0B35SGBUm05DQ HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
Ld3qoBLMEEEkxA56PfuHpBbzqWE0goHwPap3pBL+PQEUule2vPfdoB7T2DEESMb8vqPnmB3kLlE0BBGrPHuolBTabtEEJbh9PlkRnBLHY4EkIT5xv3r7iBbEV4E0D248P8aJnB3nVzD0M/X5PR4vqBPEGgEEsmw2PBTClB3qPcEkOHtbvWrEnBTPb4EkPbaAQM6clBna/fEkP1bBQNUjlBvzWCFEbGL0v3o3nBzjqyE0V9s8v/H5oBX+1BFkiazkvqlUiB/Va9EkkPaCQJMehB7cKtE0Mvt5PaMAjB3aAGFEllh3P HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
LnUDsB3HLZE0aKJ7vlH1sBHHVWEkTzHDwuH9rBnJgpEUzeSGw9QysBHQi7EE6JKFwEe2vBDB4TE0dvyDwEB6wBjcGVE0pW4Iw/TzvBLGBDE0gPnKwdS8zB3zWUE06u0Iw1vItB/X9iEEE6b0vF40rBfVNIEEHltEwp8cwB3jiEEklrHCwD9ywBTqYgEkdkiBwlVRwBDeQkE0SixJw31lwBHUyEEkWFoMw6IotBLFWDEEhFtKwqUcwBvFqoDU1rzJwBIt0Br8nVEUhP3Kw/Om0BjxSFE0VF5Hwx3s0BL+nhE06IRHw HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
LjlRqBn93lE0xHIJwcuYpB3Gi3EEwzvKwsmqqBPti1EErPeNw5iLqBDRGmEUDJ8OwphXmBnQT3EEBZDLwJp3kBPEK3E0XucIw2XWhB/O66EEFI2Iwe0RgBDu5jEEFAqKwntmpBbyqWEkxkfJwlRCqBD4mGFUEj3Jw1o0lBbhHpEk6GJMw01ulB/6EFFUOVOMwIoplBTZnDFUTsXGwKuMlB7G0nEkM94GwCkScBzo+kEkbP/KwD4vgBj5ZVE08zhJw3DRhBvXbjEECYkMw HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
LAGUsBbHBFFkGfMOwQ6htBLxBEFkfNaQwL/7rBfvDTF04wRRwYvGsBDChmFUSWIRwFXewBrUCKFklBXQwaE7xB3piGFk/dsRwwT90BH0/KFUsEoRw0ch2BHcE6EkEhzQwb0a2B3AOkE0RdbRwJ6vsBv8ZRF0e16MwxCWtB745zEkWm0Qw2+axBf9mAFES0KPwKspwBjQpaFkRHFQwZADxBvzORFESZcSw8IlxBH7E2EE9bBSwqSS1B/2qaFEdxLRw8qw1BfxNLF0n6oSwAWv1B3XH5E0q9lPw/om4B3uH/EUzMwQw59e3BT/xZEUd83Qw1SL3BfFokEUL/WSw4je0Bj4ieE0CYeRw HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
LUJWqBn3EKFEM1KSwBWioB3EGXF0HX9Swij5pBPPSeFERQPUwu/+qBjdARFUmn+UwRq7lBbqoKF0LQRTwnbDkBfz4XFkz7KUw3AekBTt8EF0fQ9RwSSbqBrJz5Ek+fTSwjiAoBTOGlFkEGYSwNudmB7tF8EkkJzTw/xSiBbnqOFEvYYUwYSClBL5sbFEq/GVwFcfjBzTtmFEwRqTwTIsiBnp67E0ivLSw5p6jBnWSTFkiAdRw/nxlBbph7EkJXURw HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
LyizpBrtKzF0XZfUwQg/qBr458FUdYrVwRKBuB76i/FUKiiVwj3evBfv35FkAvdWwQu0uBj63GGkvVyUwnk3oBz2j8FUmVyTwjbEqBPrNGG0+s2VwPhjqBfDIzFUi/iWw HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
Lnj3CAnT0lGUb2hIwOHvl/mT0lGUb2hIwnj3CAnT0tGUb2hIw HKH_2021_2HLE_run_1_complex.580_chain_B_7_0000100001_0000001_0
SCORE:  -998.184  -1832.582    186.688   1156.926               -111.775                 33.398                 74.551    616.541       -666.413            -3.780                 -24.932   -637.468          -98.382        -54.127       -162.383       -104.335     -38.825       -4.590                   21.964      9.246        26.976       152.249        282.262    -81.934      67.963    -48.589       0.000         43.375        199.793   6562.000 HKH_2021_2HLE_run_2_complex.791_chain_B_18_0000100001_0000001_0
RES_NUM A:1-188 B:189-321 z:1 HKH_2021_2HLE_run_2_complex.791_chain_B_18_0000100001_0000001_0
FOLD_TREE  EDGE 322 172 4  EDGE 172 1 -1  EDGE 172 188 -1  EDGE 1 189 1  EDGE 189 231 -1  EDGE 231 232 2  EDGE 232 252 -1  EDGE 252 253 3  EDGE 253 321 -1  HKH_2021_2HLE_run_2_complex.791_chain_B_18_0000100001_0000001_0
RT 0.699152 -0.529709 0.480203 0.547512 0.828597 0.116869 -0.459802 0.181207 0.869337 -45.9068 -45.4291 7.95146   HKH_2021_2HLE_run_2_complex.791_chain_B_18_0000100001_0000001_0
RT -0.416138 0.90129 -0.120436 -0.909288 -0.411734 0.0605864 0.00501825 0.134723 0.990871 3.58524 -3.52554 -0.78801   HKH_2021_2HLE_run_2_complex.791_chain_B_18_0000100001_0000001_0
RT -0.971315 -0.151562 -0.183236 0.188223 -0.960934 -0.202922 -0.145322 -0.231591 0.961898 -5.5409 -6.24098 -6.22918   HKH_2021_2HLE_run_2_complex.791_chain_B_18_0000100001_0000001_0
RT -0.563444 -0.264086 -0.782809 -0.82281 0.264555 0.502986 0.074264 0.927507 -0.366354 -2.84817 1.48756 1.16805   HKH_2021_2HLE_run_2_complex.791_chain_B_18_0000100001_0000001_0
ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]GHH[HIS_D]HH[HIS_D]HHEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVC[CYS:disulfide]DVQRAPGQAHWLRTGWVPRRGAVH[HIS_D]VYATLRFTMLEC[CYS:disulfide]LSLPRAGRSC[CYS:disulfide]KETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGAC[CYS:disulfide]MALLSLHLFYKK[LYS:CtermProteinFull]I[ILE:NtermProteinFull]VLEPIYWNSSNSKFLPGQGLVLYPQIGDKLDIIC[CYS:disulfide]PKVDSKTV[VAL:CtermTruncation]Q[GLN:NtermTruncation]YEYYKVYMVDKDQADRC[CYS:disulfide]TIK[LYS:CtermTruncation]P[PRO:NtermTruncation]LLNC[CYS:disulfide]ARPDQDVKFTIKFQEFSPNLWGLEFQKNKDYYIISTSNGSLEGLDNQEGGVC[CYS:disulfide]QTRAMKILMKVG[GLY:CtermProteinFull]X HKH_2021_2HLE_run_2_complex.791_chain_B_18_0000100001_0000001_0
NONCANONICAL_CONNECTION: 99  SG  89  SG
NONCANONICAL_CONNECTION: 176  SG  53  SG
NONCANONICAL_CONNECTION: 257  SG  223  SG
NONCANONICAL_CONNECTION: 309  SG  249  SG
CHAIN_ENDINGS  188 HKH_2021_2HLE_run_2_complex.791_chain_B_18_0000100001_0000001_0
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LbYo9A5U5vIUZOkNwO+mzAdcAvIU1hIMw4N10AtBaqI0foHKwm9IwAllcqI0QZ5HwS+9qA5xatI0SNKOwurOoAJSZxIkI9MQwCelgAxZvuIUHrKRwIECjApGT2I0iiOPwqBW/AJ1ZtIkjdHPwTxaxA1zmyIUVYDLwBrKtAdGopI0EeEPw+ArjAdZ3sIUp4CNw+xcvAZDhyIkqvvQw9VKdAhZixI0Wn9RweWWkABONrIEQ3lRwRXtSAFzltIUQNpQwdF1gApaB5IEDlZQwxG4XARPM1IEe4JOw/IgoAdpL4IEIl5Nw HKH_2021_2HLE_run_2_complex.791_chain_B_18_0000100001_0000001_0
LBn96AtMVmIkFp7KwUvF9A1HghIEllUJwxAKEBV8VfIks51JwdA2FBt7ueIE4rIMwYTq0AdvGdIEQW2Jwb4W1AR5pXIUkHMIwidHqANMZVIEJ2YHwzci7A1QcTI0g7zJw7YQ+AJVsmIkqjyMwV0m8A1hmiI0hpbGwYQusAxbzeI0ZllJwhom1Ahx9bI0v92LwR8P5ARUXYI0H3iEwhZtqAp8pRIkJFKFwpMdlAZkQYIEBAFFwwNKmAJWoUI0Y/lJwRau7ARDxPI0GDsIwKPd3AlzvSIkUtqLwLI1BBJAtUIEIsOKw HKH_2021_2HLE_run_2_complex.791_chain_B_18_0000100001_0000001_0
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L71Uo/Y7FvA8Rn0PwhtGt/UF92AMqW9MwZukKANCBrBcbDbMwrcjMApOYZCcuBbNwgKMK+o3OjBcA/tLw4Cts+ARLrBsFKqIwImlk/mZEyA8rvfMw+VqK/wK+YBMn2bQw6wEx/AVkv/LZzFMwaQRx9s4RSCMW3gMwqXU/+25mFCMQJnHwbQ8n/cG2HCs9vNIwUQu3+UgTrAM0ZjHwqUw//qz4SBsDlqLwV+Hk/Kmil/bdawLwHUqn/WzGwAMHpqOw HKH_2021_2HLE_run_2_complex.791_chain_B_18_0000100001_0000001_0
LDiRZAFHVHB8hm2KwxP0mAZzOwBcTfPKwGvEvApZWgBcVmdMwdvpwA5yQLCstxNOwqbB0AZ8DcAsEmjMw5HDWAl+xLAsddFKw+51pAp26XBsFAWIweljlA5yHaC8lAAKw HKH_2021_2HLE_run_2_complex.791_chain_B_18_0000100001_0000001_0
LcFEJ/OySYGU6DsQwJ13t+MySYGU6DsQwcFEJ/OySgGU6DsQw HKH_2021_2HLE_run_2_complex.791_chain_B_18_0000100001_0000001_0
SCORE:  -995.893  -1875.936    201.503   1181.430               -112.353                 34.009                 76.743    625.354       -683.071            -3.639                 -24.203   -645.723         -100.456        -52.739       -160.633       -100.064     -40.329       -3.808                   27.338     12.119        28.791       160.536        275.684    -83.451      67.671    -48.589       0.000         42.744        205.175  10910.000 HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
RES_NUM A:1-188 B:189-321 z:1 HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
FOLD_TREE  EDGE 322 178 4  EDGE 178 1 -1  EDGE 178 188 -1  EDGE 1 189 1  EDGE 189 231 -1  EDGE 231 232 2  EDGE 232 252 -1  EDGE 252 253 3  EDGE 253 321 -1  HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
RT -0.0847946 -0.882127 0.463316 -0.970244 -0.0327401 -0.239906 0.226797 -0.469872 -0.853102 -47.2838 -35.2398 13.9292   HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
RT 0.393406 0.887045 -0.241626 -0.872099 0.443246 0.207306 0.290989 0.129166 0.947967 4.29976 1.14065 -1.53191   HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
RT -0.982386 -0.123338 -0.140378 0.155477 -0.956232 -0.247886 -0.103661 -0.265345 0.958565 -5.21211 -5.7707 -7.30508   HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
RT -0.245382 0.675908 -0.694936 0.667508 -0.402043 -0.626733 -0.703008 -0.617664 -0.35252 2.23191 4.56377 2.61346   HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]GHH[HIS_D]HH[HIS_D]HHEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVC[CYS:disulfide]DVQRAPGQAHWLRTGWVPRRGAVH[HIS_D]VYATLRFTMLEC[CYS:disulfide]LSLPRAGRSC[CYS:disulfide]KETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGAC[CYS:disulfide]MALLSLHLFYKK[LYS:CtermProteinFull]I[ILE:NtermProteinFull]VLEPIYWNSSNSKFLPGQGLVLYPQIGDKLDIIC[CYS:disulfide]PKVDSKTV[VAL:CtermTruncation]Q[GLN:NtermTruncation]YEYYKVYMVDKDQADRC[CYS:disulfide]TIK[LYS:CtermTruncation]P[PRO:NtermTruncation]LLNC[CYS:disulfide]ARPDQDVKFTIKFQEFSPNLWGLEFQKNKDYYIISTSNGSLEGLDNQEGGVC[CYS:disulfide]QTRAMKILMKVG[GLY:CtermProteinFull]X HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
NONCANONICAL_CONNECTION: 99  SG  89  SG
NONCANONICAL_CONNECTION: 176  SG  53  SG
NONCANONICAL_CONNECTION: 257  SG  223  SG
NONCANONICAL_CONNECTION: 309  SG  249  SG
CHAIN_ENDINGS  188 HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
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LR5fJCBVveDsp1hDwXynJCdE4qDsLQkIwVvRICRvqoDcm5BKwUBNICt9NcD8FRXMwi0NKCxj8LEs9kuIwPnqLCRNbNEMVoWHwgGwLCJvpOEs/uQBwDotKCdpaPEcBod9vdj1MCFhlOEcKyX+vGpxJCFQP0DsjhqAw9pTKC9omUD8e/hJwXPmJCBc/WEsh4JHw1WNKCFPXREczFzKw/9IMCd2kbE8zthIws4NMCln3+DcnTXIw HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
LbTNHCFOxzDMZknIway2FClD/zD8EnsJwQtGFCd2QKDsL5KJwRW5DCBcTHDcvyqJwPXWHCBFV+D84BbFwV15FCJKu5Dcq51LwcAUFC5+QHE80M2Iw HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
LOlzFCVpxpCc1NKIw36NFCR2xACMvM2GwKfjECdqWUBc+nwJwbwdDC9oZwA8I9eJw7TUGCtN7IBsDHWEwht+FChY7Y/LnctCwKa3ECtIJU/LLRy9vuQNHCF3mJ+rBTAAwvezGClHutCMYakHwJHeECVbGHCMyEzDwBOrGC5CepB86WyAwXKJHCVESFB8BtLHwRitFCJoJQ+bYrPGwfarECFDcf8r0Ai7vWX+DCtqDFAcQRqAwLFHFC106MAsH7M2v5B/GClUPF1rDoq9vs6dHCB6NT/7ju74va5CICtDRK+Lk0yCw HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
LrcKFC9mQaBsqwGMwiJrECxuSuAcwaeOwtjxDCd66kBcRJIQwyOfDCl4nMB86NRRwO72FCBt/MAMPkDQwqtnGC5AhI+Lm3tOwsX/FCZkvV4rcqsNwPf0HCpUEQ+rKJpOwFOCGCVeM7BMMJNMwrpFECFK5u/7b/zNwaUjGCJdkBB8pvPQwiZgFCxJ8r/r9aBRw HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
LEkUDCVWiXCsPISPwJlbCCRZNxCskEeQwfvJBCppAXCMK5rQwjulAClo+FCsIXdPwq8HCCl9RcD8ECtPwozfBCt/S6Dcrm3Qw82vACJ3qsDMXbxRwgFzBCpdnREscxvQwd2jDCdW1hC8kDZNwJJ5CCZNS2CM3dcRw1dCDCNUhqD8uN6Ow2kbBClKEYDcPqBOwQhaBCJUUcEMuxYRwsuZCC5TgWEsbtAQw HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
LBwtACBGySCM1g8RwgFG/BhGtwB8VISSwD1a8BJp+PCsLNKSwZDR6BFbB6BcI3SSwT/a/B9SKOBc5XtTwuu8ACpY+VAsak5TwO95ACdoNG+7EqHTw1zCACB3NH57K6WTwau0BCJbDm9LA1KSw77NBCVbKiCs7frSwtPD/BhcL7AsZBmRw9ci/BZouBCcsFaUwCRq9BFZPoAMad+Tw8+0BCVSa5AsTPkTwMtCBCJ3OGAMhJ9Uw+41BCxB6I2r4gnRwZ7gCCdQ4R/bHt+Rw HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
Lwmh8B9Vu5C8dq8Rw2nE6BpMrSDMNoxRwnsk6BVr8wD85jnQwSAp8B5XHDEsGamQwSZX5B9+CsDMV5CTwBD34B1n6QDss1TUwN893BleUrDMdhgVw7T13BFH4IE8IsYVwIYa3BFw4YD8yUiWwbgW+BlQVIDMFx2Rwiya4BdOp9CsSegRw5C/6Bh9IBEMtNRTwFvk3Bh+A/DMq62SwuAZ3B5xe4C84LGUwpzt6BRwqADM5UkUw HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
LX8t4BZXI1DsCEWPw5oa5BNMYJEsbJMNwaDe4Bl5FDE8jzaKwzxa2B1u9wD8aSDKwMH92BNGFkD8+yZPwaMq4B5ZJZEs8EsNwiXl7BZc9KEsTEHNw HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
LpG65BxxBLE8SObIw2dN5BlcEGEMx9ZDwrDO6BtMQWEskpm+vSxH7BRQpnE8562Awuxj7BNLzTEMC50IwEz+5BF+ksD8CnnCwRHF3BB+XFEMw8MDw HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
Llj+5B5RxREc4r9vv5m44BtCY9DMSBXlPnK71BlBp0D8XOkjvkEJ0BNrpFE8YoTpPhI26BpP7WD80ZEYPz115BJyPtC8Y/HzPGnf9BxXOlD86ssyPl8p6B1QddEcD6FePfL54B55SCEsEwN6PzWI7BV7VPDcUWC3vAgV7BZ0PVCsagkwPgVA4Bx1zhCMq1roPQFl5BVd9xC8aF79PeC++B5T8LDseOzwPUKO9BROqsDs8Dy9PUFN+BNNwAE8nC4hP HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
L86T1BVfZWD8WCm4vb0gyB1y+ND8HZe7v6/6wBdJX2D8vfa+vsz2uBlCX/DcV3i5voXbyB9LkuC84NaCw0FIvBxS8gCcqp9EwbPw2B18FDD87h57vpNjxB9wo+CMo6ZxvXuVzBNIPRCsAKGBwnupzB1zq6CcdLpFw HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
L3G5xBt07HEcJ9ADwBmawBVx8aEsNyuEw2iswBhBOuEcxp/AwRpcvB1f1+E8vq/Bw+ZWxBtrAjEMEXHJwj2/zBZSmvEcGKFJwrF00BBKR3E8o8yLw2xT0BJEvsEsJ8zNwjwE2BhkAKFM0x5Lwk0jzB5QTDE8S2FFw0pTuBNFsWE8HL9Ewzj2vB1tKtEcZH/Jwb1nxBZTWVEMgXcKwTmj1Bl46lEcYCQIwiBxzBpu79EcigvHwylp2BZxDQFMhyqNww0b2B5bTSFMJoNKw HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
Lv7eyBxL8sEMjvE6vvFNzBF/w/Es5CyuvSTVyBVpj+EMjpA4PtYYxBtdROF87Im8P0QS2BhkYCFc5Cevv7XO3B5/uDFM+/y+vEfI3B95cWF8eAboPnNRzB5maeEsZxP4v8xRyBtOyNFM+6k2vo7K3BVpu0EsiclCvqMF5BtFQ+E8k7U/vtTT5BpTyXFcOX2mPULf2B55vVFsriZ6P0fP2BlJYkFs6Lylv HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
LdsvyBZ38rE8BX88PYlLyBxF8nEM9fGEQ6G8vBllmXEcuRmEQ3oZvBZMDPE85ucIQj8r0BZ2ZfEc5+1GQK6K3B1A0tEMpvjGQdt72B5VKBFM0J+IQmF42BB/q7EMRL0LQ08H2BlM8IFcYhzNQC7U1BBxqcFsLGRNQ6CM2B5qGCF877JQQfkgzBZ1ffEcdkt4PbMixBVcv2E8Il/FQWNQ1BBXkQEsL/4EQY4Q0BBoybEsljgJQjvf3B9L4yEM8QdCQOt54Bt4vkEc7Y7HQ2nH1BB6zJF8H5dIQQEq4BllbLFcoPnIQ0Pe3BlKusE8wUVMQzfR1B5/9hFcDEXLQVMx0BNZhmF8RNxOQ+F12BNGsyEcuRYQQ+Ro1B1k3LFMOB6QQ HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
LCtsuBxL7SEscQDAQfVmsBN96CEM6c/+PIiltBxgnaD8wLZBQUcEsBl9pBDMx7tDQkWHqBVgLJEssSnCQumRvBl1IbE8+hh5PuhFsBdPqBEsDjF1PoiloB9Ol6DcGOACQl+YpBNnbYEsdkMBQYujqB5nYKEMUB4GQ HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
LWwGwBFMIQDcOlPAQN7IxBhUDnC8av/BQ+RcwBBOjCC8/+m8PKHFyBJlplB8Uuv0PNvE0BBVPpCs0bKDQCis0BZTmBDcx8IIQH/N4BhseGDMRm1IQkc/4BdSrPCMZ+jJQdxSxBFM3kDMI2Q8P2mNwBlyEgC8YxyFQh6A1BBP05C8bX6/P8X30BFODJCM/5VDQM1wzBdswwC8H9zJQYuzzB99BhDsVBDIQXYF7BVlzMCcNoDKQtol4BBNR4Bs7nsHQA4x3B1YvECsyTPLQ HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
Lbh7tB9OztBsJeh9PmSlsB9fOqAcG/m3PV+mqB52w+/rqSa/PdnXpB1eVrAcOkADQJvLrB5PRQBMTZTnvVnFpBRhMJCM2BcfP8g6nBROMfC86Rp4v4s9lBBMJBDc81sxvTyukBRxeZDMVor9vpY3sBdULJCsL3YBQkYDuBFb82/Lx6jyPZlNqB9GJdAMV700vZ8psBZsGuBsxhI2vaN9pBZiPhCcgVV0PuednBBvLzBcDAfyPaH4mBBIDICMEKs9vQZgpB5zVuCceEU9vZfCnBxEdXD8F5ISPrZYkBhW+xC8jOrMvKCfjBRSuvDc1IC6vqxqjBBd9FDsp1PBwe6JmBN3ioD82f/Aw HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
LBgNqBt3yv8rDrP+PSpNoB5bIUzbYVgCQDRGmB9LuX8T5X/9PiKrmBdGEo+j0Ak0PiDRpBZvSQ+jEnMGQOghrBdMbl8jWs2IQ9N8mB9UbS/jMf3IQdOCtBxWtd/Dx0QKQs5RrB9Y/O5L/Ya4PUfQnBpdlE9LrvBFQ8B3pBVjs5/TQmFEQVLyqBNTTpwrwKUKQCL5sB1p+t3TlKOHQlMonBl8obA0pPIKQ4LWlBVzMCA0Z8WHQ7MLmBpvsW9DhfEKQ0/nuBlIyk+jKfaLQ164tBFtlaAEoG1IQNgvrBBX1RA0jSkLQ HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
LjlojBpg6g6znFYAQBjZhBprOu9D74b7P1aqgBtFpJAkOr8AQw23fBZ1cDAUZVqFQCAIeB513v0LTgm6P3DzYBR08I8DC7R1PYgOZBNQeN+DfsLxvyjoUBJTVT8b2+91P8YWjBtcGe6LwLlDQLmAiBhyff+jpCztPFKRfBNWOa9re7gyPGQedBt/zo7rwvNBQTFoXBFqbp+j5n37PJTWVBNis/+zXiw1vwbKcBF5Y0/jDM7xvgeVaBdVKs6jFh55vLIyQBBrx84rwExwP4V2VBhHPx+LumWlPqYSUBReZ09roeI/P HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
L7x8gBZZ6TBEvL+8PP1agBp5dRCki1SBQCbtbBBhzkCUuGZ+PjcZbBp+DzC0DlVyPKeyiBBrAwCkrLtAQnDXlB5KseCk4/FDQVKJoBdgWDDkt1vCQDYuqBdsBgCELd8EQTqihBxRSVBUrlOyPdnHgBl2sKCE82hFQyjKjBFON1CUK574PRlUiBNcyODUkujCQWPAlBFGdWC0bpOHQUr6lBxdZBC0PL+AQ1QosBprtwC0JkEFQKBQqBlVpTCEtAcIQlh2qB5x5FCU7kLCQ HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
L7NnXBpb5jC03PkCQibYSBR1UzC0HuBBQ9vYRB1AcdDU+fvDQtT9QBRhweDUX/TIQ82HOBx96SCkSTvCQUuoOBNfWQB0j5y/PfxxKBhhnLA0mi9BQ7c0EBRlrdAkDUvAQrDmDBtyTaAEOzlzPEYFYBd0bXCURDWGQjmOSBBuP4C0Hja5P0SdOBV0INCUJiCHQPGNKBVQggCUss9BQM+MOBB28YBUCTc2PbAoSBhD26A0oqrAQOs0LB5hde+zf1GAQviWLBdNnEA0HkNGQmUbCBZDva/zC0wCQIRtDBp2DcBEcsRCQrPZ/A9FHlAUt7+wPlIvFBdbiHB0ZZClPOHjEBZhtA/DGDRrP HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
L0gBRBlys/Dk4ZqAQT/GQBJueUEUF0NDQPsaKBdTRbEE6DtCQ4sLIBlRobE0tap8PKR+TB1qJmEkuAWBQfydSBBGs7E03XlDQVFPZBFu+hEkbyyDQtcQRBZ5N8D0T9I5Pvr4QBhVZSEkInbHQiCHUBdQlmEUGr85PogZVBl9+GFEfsUCQmFmOBhQuAF0znOCQwycSBxry6EUB94HQ+oDcBRfRuEEt8qCQRbrYBZaaiEEanBIQ14saBhbcSEUPvoCQ HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
LOmKIBxBdgE0yaTHQT+lCBV54mE0Ss6HQzvd+AlP9UE0KGMJQfL85AlezHE0bsfHQOXY+ANqXSEEaloLQoLsKB9+ifEEufRJQcgZCBxhA1EEQjOJQbA7ABR+PrEUuPDEQ HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
L6kaaBVmsRGk3GxIw6kaeBVmsRGk3GxIw6kaaBVmsZGk3GxIw HKH_2021_2HLE_run_1_complex.307_chain_B_1_0000100001_0000001_1
SCORE:  -1006.503  -1842.763    188.361   1164.911               -109.896                 32.622                 70.963    616.634       -670.727            -3.960                 -27.336   -636.960          -95.468        -48.840       -163.219       -104.666     -35.885       -4.889                   31.233      9.434        21.018       150.343        278.649    -81.477      69.654    -48.589       0.000         42.339        192.011   4199.000 HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
RES_NUM A:1-188 B:189-321 z:1 HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
FOLD_TREE  EDGE 322 172 4  EDGE 172 1 -1  EDGE 172 188 -1  EDGE 1 189 1  EDGE 189 231 -1  EDGE 231 232 2  EDGE 232 252 -1  EDGE 252 253 3  EDGE 253 321 -1  HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
RT -0.667868 0.689333 -0.280664 0.178748 0.514613 0.838584 0.722497 0.509895 -0.466911 -20.0843 -40.9147 -18.7485   HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
RT -0.641592 0.748958 -0.165591 -0.767031 -0.627769 0.132546 -0.0046812 0.212054 0.977247 3.11301 -4.15763 0.0325657   HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
RT -0.951951 -0.0563312 -0.301024 0.109794 -0.980373 -0.163752 -0.285891 -0.188935 0.939452 -5.34197 -6.03341 -6.58832   HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
RT -0.511894 -0.291094 -0.808226 -0.854661 0.267542 0.444945 0.0867136 0.918523 -0.38574 -2.46412 1.20109 1.56478   HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]GHH[HIS_D]HH[HIS_D]HHEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVC[CYS:disulfide]DVQRAPGQAH[HIS_D]WLRTGWVPRRGAVH[HIS_D]VYATLRFTMLEC[CYS:disulfide]LSLPRAGRSC[CYS:disulfide]KETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGAC[CYS:disulfide]MALLSLHLFYKK[LYS:CtermProteinFull]I[ILE:NtermProteinFull]VLEPIYWNSSNSKFLPGQGLVLYPQIGDKLDIIC[CYS:disulfide]PKVDSKTV[VAL:CtermTruncation]Q[GLN:NtermTruncation]YEYYKVYMVDKDQADRC[CYS:disulfide]TIK[LYS:CtermTruncation]P[PRO:NtermTruncation]LLNC[CYS:disulfide]ARPDQDVKFTIKFQEFSPNLWGLEFQKNKDYYIISTSNGSLEGLDNQEGGVC[CYS:disulfide]QTRAMKILMKVG[GLY:CtermProteinFull]X HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
NONCANONICAL_CONNECTION: 99  SG  89  SG
NONCANONICAL_CONNECTION: 176  SG  53  SG
NONCANONICAL_CONNECTION: 257  SG  223  SG
NONCANONICAL_CONNECTION: 309  SG  249  SG
CHAIN_ENDINGS  188 HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
LK8c1B9YRYJUEXEgwNRY3BFJPVJE0bvfwc3m2BNUQVJEiOAfw17o1BVCPRJkfYvewC/L6BRweXJ04U1fwgIb2BBmZaJ00rPgwmrK0B1ntVJEweLgwkua0BFcyaJUbl1fwlYW3BtkGRJEBh6fwJSm7BFoFVJknzifw4ku6BxuTXJE7iLgwVuR6BpcmbJkhmqfw HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
Lwc82BJ/0ZJ0s0qewdWZ2BRUUaJEpx8dwHGbzBxhyaJEjYydw5wfyBBj4eJ0tQidwQfr3BFXFdJk115ewQ8N3BtX2WJUaLsdw8Vc3BZXzdJ0bOwdw HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
LKh6xBlotWJkkg+dwHlDvBlJjWJUIV2dwPVkuBV9OVJkLkHdwUK9vBBK2RJEtU1cwmwqtBdJeSJkSNTewlisqBtepSJU3tPewgJUpBxQNQJU46udwmu1oBJUEVJEyYoewYAvmB1cHRJUTtzdweVZmBZKDUJkdTWewfh3yBZIjTJkbaMew7TLuBVNdaJ0tn8dwObOuBxvMTJEvZ0ewcxVuBtddOJk24Kew/wNpBpOaXJk/MFfwBrJlBFrsPJ081edwNxnkBJuWVJECshew HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
LyWnsBtR4XJEeC0cw6P8rBRnxWJkruHcwBg7oBdTkWJ0MKBcwrDbnB5rkZJUWGVcwG6KtBJG/aJEL0pbwJmMwBxUGbJE+8pbwAIuxBN2fXJ0w/SbwUR9xBZGXeJUvG+bw7KS0BhViYJkqJZbwNLf0BRurcJUs+ybw+ojrBlGoaJ08hEdwElvsBdy4SJ0us+bwTPdsBpK8eJkoAzbwoAgsBJJQaJULLJbw96CxBpThUJ0BpAbwnvsxBJjwhJEpiTcwjG01BdOHWJknsJbw HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
L6sFoBVPFTJ0lBkbwL0SlBt1cSJkhDYbwjrAlBVALQJ0YdrawbbimBxApMJkMjeawRo0jB9kzOJ0yg3bwFe4gBVfIOJUt9tbw6rGeBBDMSJEkUzbww98eB1V1JJU5Bgbw1uRZB91aQJE23obwOHsZBZJXLJ0xVdbwOadpBRPvQJENdVbwl3TkB9xVWJEHWYbwsNAkBlTdQJkCZXcwtTwkBRx3KJkRv3bwOTSgBVF5FJ0sqYbwSdlVBJvuSJkV9pbwxNnWB1C+IJU1PUbw HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
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L/318ADWf7CE/0KKQYPOBB3GWeDUQr0IQ/c3/A7XueDkALvDQfHj/ALNVAE07FPBQpqj/AXvzEEkerBKQgHqABXAjlCUVnJLQQrgFB7J5YDErODJQ5+ACBbFMRE0lUBJQUoyABD35EEEWLIMQraB3Ajv+HEELQzJQ HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
L4Gp+AD7A5C0JiUBQDxH8Afn23CUmbo2PQHCDBvqQ7CEuIgXPIH5EBzpBcCUwOjwvYQs1AjchQCkisYxPiFhqA743QCEa4X5Pgp9iAn+7ABEqEx1PcBRhA/c9GB0e4t2vajb/ATMDdC03lbDQ0TK3ALbTTD0UQBzPZKy5AfF1qB0QVi3PrdL1AbYoNCkZVYvvvCJmATkWrCUcvC0PgpCrAnnMWCEfj8AQcITZAf9wQAERrD6va65oATxuFBU9oM7vqYOaAnS9ACUf3c5v HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
LbMNFB3kthDkrntYPOOFKBrn4tD09U5xvrRjJBj1bNEUanc5vdiYHB7PzbEE0VRwvnSsOB3mPqDkXaprP+CJOBLCbDEEsak8PTOeSBfnW/D0IFXCQIkeRBX5HOEEb6GHQ4+dVB3SoLEUX2sJQKlPDBXGg3DEIRdyP1UwKBb6/XD0wjn7viBcSBDRzxDUzRagvbf4OB707JDkSHazPoiTKBrLtAEkCTLAQmqVOBDbIUE0GJI6PcaYWBnUDDEkKhoAQzKYSB3g6dDEYsrDQLvhNBrKdKEklPXIQRegRBfSseEkrwxFQBzSUB/tCWEEOuMLQ04JZBvaZPE0LECJQkvcVBLgA5DkHEZKQ HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
LwUwLBLKwQEUICfBwV8cLB7ZulEU6f+Dw4yyQBDKZwEEiRFFwVzNUBHYinEknx1Hw7tdIBLa+jE0ynrIwZS2CB774aE0TmKIwYySIBfA95EEeWGKw6PZ/AvcCVEEoUiKw9PhNB/EIEE0E6bDwjgNJBbjTwEEJyVBwLEgKBnq3YEE5T8Jw37lABTxJmEUEBEGwYESDBn4TME04uDGwauOGBH5W4EkZN+Lwi1TMBPKy/EEIUgKwcqPGB7ceFF0i61IwUmy3A79dOE0rR4JwjC4BBvABJEEd4qLwyx39ATx+iEUh4xLw HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
L3wWRBj5AEF0q8IDw8x+VB7KfRF0wuPEw3WuUBrkHhFktbUIw+UzQBbE+sF0FvJIwJWtXBPnleF0ftt+vSN8bB/QLxF0JNkAw8NpgBnBdoFkHojCwp5wcBbAD+FUPOH2vbqVOBbPGKFklL0Aw5DSZBbrVHFUWDjFwUMdZB/K0TF0Jm44vx0JUBvGzlFEKSM7vRwVaBrDt7FERaqDwlD+hBr451FUYqUDwt/agB3ITfF0W6NGwBlehB/WveFEewJ/voVkfBnOiFGki3r4v8tYeBLnyzFkbLwcvn+9YBziVCGEvw5wv HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
L5d/XB3hShFEPfYKwYjGXBvGbwFk0ufMwuFjbB74eAGkrWhMwGjJgBzsk7FkTXpMwpgAXB7M4kFUyYKPwK6DTBL82SF0AMSPwB9VSBLrrHFUS2RRw17kYB3d86Ek9mlRwLbFbBPeqWFkgQeKw12VTB3Dz4FUlMLMwmn8aBjtceFk6viPwSVEWB3kNwFkq4XQwWgQPBPhdYFUC3lOwPUYUBjZHGFkbu7NwXYfYBjzrzEEAtkSwluTZB7htuEk770Qw5hubBP7pGFUa8jRw HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
L+2AaBrroKGkPZeMw21xdBD5dTGkS9tMwxwqdBX+/VGETRqPw3HHaBzvwbGkfBSQwF3FcBnkIdGkJwBLwy8MgB35FmGEbktKwNtJgBrmcuG0K5ANwHjQiBz4I3GUaioMwNKQiBnK9+G04F6Ow5vBWBb/WMGkfySMwKx5gBTp3QGEarKMwIYAbBP5ZaG08tBJw4NjYBnDmgGU3j5LwTiLiBHrXiGEUbqKwyMxfBXfMqGU1W0IwFJbcBHNLyG0MQJNwZ7kgBHSpqGEPe7Ow/9NkBXXYzG0QchMwNC4hB7wa7GEsuxKwqtqjBb4nEHE5RpOwzQdgBLOeCHktUCPw/NniBTV56GUlEWQw HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
LM6ogBToRRG0kNmQwFvVgBXCOSGEq7BSwhk0hBf85bGEtzkSwjnPkBnJAdGkKSXSwhiWhBr23HG060tSwZpEhBjA8IGERvNUwLknfBfX97FEqWLSwG5NiBPCFNGEadMQweHdcBHrPTGkldQSwCRfjBf53GG0F0fSwp2yhBH45BGUuPrUw6WOiBbirPGUTXjUwFJ8dB3DFKGE3neUwY9jgBf8ltF0+lpSwbedbBrcb9FkMpYSwUbGgBHzw6FE5gGRw HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
LgVWgBHMuiG0cMTTwNjZhBHvYsGkMi6Twh8FiBrsD1GEkE5SwVeuiBvJG+GEIeRTwCcuiBbMTyGk7OwRwlzrcBTaLhGUhkaTwNr0fBfBfvGUZQnUwHLJjBv9SqGkM5fUw HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
LpG759uWNaGEj9QQwLnwY/sWNaGEj9QQwpG759uWNiGEj9QQw HKH_2021_2HLE_run_1_complex.211_chain_B_14_0000700007_0000001_0
SCORE:  -1010.112  -1827.546    183.939   1143.629               -111.806                 32.607                 73.072    606.611       -662.921            -3.683                 -25.512   -629.200          -91.464        -52.084       -161.662        -93.331     -40.710       -4.629                   21.496      9.839        24.399       148.795        274.330    -82.410      71.745    -48.589       0.000         40.932        194.040   8956.000 HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
RES_NUM A:1-188 B:189-321 z:1 HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
FOLD_TREE  EDGE 322 173 4  EDGE 173 1 -1  EDGE 173 188 -1  EDGE 1 189 1  EDGE 189 231 -1  EDGE 231 232 2  EDGE 232 252 -1  EDGE 252 253 3  EDGE 253 321 -1  HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
RT -0.523787 0.654291 -0.545482 -0.103659 0.586636 0.803189 0.845519 0.477244 -0.239449 -20.9779 -40.1446 -13.7085   HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
RT -0.495024 0.852543 -0.167695 -0.868738 -0.489111 0.0778732 -0.015631 0.184232 0.982758 3.53058 -3.8136 -0.486514   HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
RT -0.960649 -0.150466 -0.233482 0.197918 -0.960568 -0.195289 -0.194891 -0.233814 0.952548 -5.91568 -6.22059 -6.56331   HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
RT 0.511428 0.488118 0.707235 -0.798795 -0.0333809 0.600677 0.31681 -0.872139 0.372834 -2.27693 -2.01176 2.03351   HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]GHH[HIS_D]HHHHEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVC[CYS:disulfide]DVQRAPGQAHWLRTGWVPRRGAVH[HIS_D]VYATLRFTMLEC[CYS:disulfide]LSLPRAGRSC[CYS:disulfide]KETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGAC[CYS:disulfide]MALLSLHLFYKK[LYS:CtermProteinFull]I[ILE:NtermProteinFull]VLEPIYWNSSNSKFLPGQGLVLYPQIGDKLDIIC[CYS:disulfide]PKVDSKTV[VAL:CtermTruncation]Q[GLN:NtermTruncation]YEYYKVYMVDKDQADRC[CYS:disulfide]TIK[LYS:CtermTruncation]P[PRO:NtermTruncation]LLNC[CYS:disulfide]ARPDQDVKFTIKFQEFSPNLWGLEFQKNKDYYIISTSNGSLEGLDNQEGGVC[CYS:disulfide]QTRAMKILMKVG[GLY:CtermProteinFull]X HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
NONCANONICAL_CONNECTION: 99  SG  89  SG
NONCANONICAL_CONNECTION: 176  SG  53  SG
NONCANONICAL_CONNECTION: 257  SG  223  SG
NONCANONICAL_CONNECTION: 309  SG  249  SG
CHAIN_ENDINGS  188 HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
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LigV3BJwRZJE8Y1ew2e42BRddZJEH9Geweg9zBVVXaJ0V46dwdGQzBlhceJUN+ndwrTM4BNzgcJUz+CfwEak3BxYuVJEgq4dwPfG4BZNocJUUF5dw HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
LpCQyBpPtWJEZnIewmfavB5cAXJU1/+dwiJ9uBdjWVJER7Qdwd6MwBF/iRJUTkBdwIqxtBVrfTJkYPdewCa1qB1hMUJk+dXew7IbpBJxtRJErK3dwnzCpBN/LXJE+MtewkA5mBNtJTJkrZ5dwW/mmBBndWJEc5Zew6yBzB5BhTJ0tvYewZ5tuBBIHbJ0vdCew0bSuBhIcUJ0YR+ew7WRuBpsTPJkuyXewwWdpB5SuZJ0pzIfwQRTlB1x1RJEYKkdwyT4kBZLNYJ0aGjew HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
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L9ppoBpkhTJkDiqbwMu4lBJBWTJkrTcbwcXrlBh3tQJkm8wawqoDnBRvxMJUbCoawtXHkBZ/TQJUI87bw+9MhBRHNQJ0SZvbwNFMfBpsqUJ0r6wbw1JQfBZaJMJ0+ihbwI4SaBVPXTJE0Xkbwz3OaBFPOOJkHIbbw037pBRGyQJ0opebwn6GlBBeZXJ0dUZbwqBRkBR+LSJEwHbcwRd0kBdhNMJ0jD/bwROPgBpdAIJEwrcbw8w4WBFREWJEKUibw+g/WBluIMJkRJRbw HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
Lvb8jB5Y5SJEtQWaw9hYjB9CrQJEKasZwtCkgBpnBSJEbkfZw3OPfBRQgWJU9amZwfKTlBxTxSJUUNKZw0O0kBtGSQJER+eYwOZhlBVuFLJEqfVYwOLrjBJRSSJ0mE2Xw021kB9kAKJEqAbXwqZujBlyTOJE3p5WwzB8iBhCOWJUiffawtfjjBxKVMJUCctZwU1WnBt37RJEqtTZwycFlB9qFXJ0RRHZwsj3iB1XTWJUD5tXwQ5JlBpuNGJ0vQ6WwlLBjBpUpOJEuQ9Vw HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
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LFkZHB9g55Ikff2PwnbUGBdLc0IEQI5OwvcfBBN48zIkkBENw9qzABhmE3IkLBMLwe4VLBF4GyI0+1fNw+InPBhauxIUVFbPwWrPKBtamsIEMbUMwvo3IBZSo8I0eYjOwVqhFBJi7xIEkDUQwZCmMBVlx0IEvU5LwcI6QBpGR1IUiI1PwmU4NBBcKrIUsIaLwLCIHB58ysIk5qzKweKAJBRg5pIkVX5Nw HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
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LtPcNBdspSI0RSKFwdPBOBZ3dOIkNpGBw90zTBpweNIUGAG/vTb4UB9nRLIkNKK1v1o8LBVSCJIUEOFDwuvNPB16LHIkyfaHwYshGBZrkJIk+YAFwcf9MBdVtRI0LEkIwAj0LBh1qPIUTSE7v/6EMB1TKGIEPDt/vq3gSBttxFIkW/4FwpAMFBdotFIE6FZGw1z+DB5B/KIk67xBwFvdGBttYMIEyZIIw HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
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L7uu1/ywQcGEL1KSw2ddL/ywQcGEL1KSw7uu1/ywQkGEL1KSw HKH_2021_2HLE_run_1_complex.733_chain_B_1_0000200002_0000001_0
SCORE:  -1011.888  -1845.615    192.617   1147.189               -110.654                 33.708                 71.905    612.227       -667.520            -4.090                 -27.247   -633.397          -91.479        -53.034       -162.708        -93.893     -39.773       -4.944                   20.084      9.758        25.878       152.765        279.951    -81.460      69.624    -48.589       0.000         42.648        194.160   7472.000 HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
RES_NUM A:1-188 B:189-321 z:1 HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
FOLD_TREE  EDGE 322 123 4  EDGE 123 1 -1  EDGE 123 188 -1  EDGE 1 189 1  EDGE 189 231 -1  EDGE 231 232 2  EDGE 232 252 -1  EDGE 252 253 3  EDGE 253 321 -1  HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
RT 0.840576 0.439888 -0.316116 -0.066023 0.662417 0.74622 0.537654 -0.606384 0.585855 -46.5071 -37.68 -18.7168   HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
RT -0.243057 0.967091 -0.075216 -0.969964 -0.241543 0.0287491 0.00963503 0.0799445 0.996753 3.76709 -3.35781 -1.22938   HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
RT -0.961513 -0.16814 -0.217307 0.211446 -0.957852 -0.194449 -0.175454 -0.232914 0.956539 -5.85928 -6.28552 -6.55291   HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
RT -0.179868 -0.4829 0.857004 -0.312216 -0.798141 -0.51526 0.932828 -0.360249 -0.00720946 1.81085 -1.76379 0.268906   HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]GHH[HIS_D]HH[HIS_D]HHEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVC[CYS:disulfide]DVQRAPGQAHWLRTGWVPRRGAVH[HIS_D]VYATLRFTMLEC[CYS:disulfide]LSLPRAGRSC[CYS:disulfide]KETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGAC[CYS:disulfide]MALLSLHLFYKK[LYS:CtermProteinFull]I[ILE:NtermProteinFull]VLEPIYWNSSNSKFLPGQGLVLYPQIGDKLDIIC[CYS:disulfide]PKVDSKTV[VAL:CtermTruncation]Q[GLN:NtermTruncation]YEYYKVYMVDKDQADRC[CYS:disulfide]TIK[LYS:CtermTruncation]P[PRO:NtermTruncation]LLNC[CYS:disulfide]ARPDQDVKFTIKFQEFSPNLWGLEFQKNKDYYIISTSNGSLEGLDNQEGGVC[CYS:disulfide]QTRAMKILMKVG[GLY:CtermProteinFull]X HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
NONCANONICAL_CONNECTION: 99  SG  89  SG
NONCANONICAL_CONNECTION: 176  SG  53  SG
NONCANONICAL_CONNECTION: 257  SG  223  SG
NONCANONICAL_CONNECTION: 309  SG  249  SG
CHAIN_ENDINGS  188 HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
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LGII6BrAsoGEhvndwSkX3BjAroGUHW3dwzcX2B3PD0G0wR9dw2a33BPwA7G0FULewFWH3BPTtiGk3Piewen63Bnr0WGEIBiewKbX3BnvTRGUQdMfwQpa2BrukWGEALpfw0a43Bvh4HGEq7PfwI/d7B31PuG04yydwBmF2B/A0kGETtfdwUUW4BbZumG0QF6ewsFD1BXxLjGEcMtewuc32BjctSGUCiIewx8C6B3kRWG07Mbew HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
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L1VTnBHqmQH0X2eZwq09mBnG6FHE3TOZwO07kBD83FHUpnpYwom6iB7nnLHUKhrYwZqEmBXKq+GUSvyZwgncjBDqBCHUNJHawg7tiBHQe7G0qKuawNJKgBHj8/G0wXBbwzujeB7YU6GEylobwd5qlB7+fVH0zTgZw5A4oBToLDHU3BCZwoO0lBf4k2GErhmZwcVmnBvEh+GEN5Kaw75jjBrrUKHEhhQawd51hBLKLBH0y1vZwM4biBfVHzG0salaweCUkBrnA8Gko7FbwuIggBvzUIHULRJbwXuIdBnye/GU5vpaw12HbBbvS+GU12ybwLowdB7hjyG0xaibwCwsgBru16Gk8T/bw HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
LX3YlBvmC/GEnvJYwhhfjBvmp9GkGUNXwkoTiBDveyG0UPRXww5ujBTAdqGkPASXwNWvkBnQA/GELmyVw2e9lBHpIKHUKdnVwKRjiB7s38GkZDtUwZErnBLHPLHkJpWUwPjFnB7Uj6GU0QLYwgX5hBLsbDHUEYUXwBOSmBzHU5G0WvpVwV6YkBH4DQHEJ0lVwWXMnBHluLHU6LeWwZrXjBfZj9G0KXtTwYLxhBHJ60GUeK0UwFJ7gBLJhCH07f0UwGChoBv8MTHkeoTUwQfSpB7caFH07KYUw+3fmBv33JHkrIeTw HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
LjnYfBHk1xGE+MTXwOF0cB/rbnG0mXSXwNZObBnk7lG0nn1VwyCMZBnxbtGEdvOVwk68XBfvZnGEBAHYwUULVBPklcGEWEQYwK6fSBDZbdGUkn7Ywx+BRBfnwZGUubdXwXTOdBTEz4GkK2TXwu+nfB7KLhGEq0kXwPRKZBDD2qGEQglYwY1CVB7qhsG0OXyXw4SJYBniXWGkKpQYwvVkQBHU2VG0wbDZwCEfVBXdSfGkP/TZwrSgPB3MxjGUK16YwTBNPBPzFSGkBIuXwHBAOBvI3fGEDgcXwYJzSBjEDZGEozeWw HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
Lt6ccBnX0cG073OVwdvAbBP3cbGk3N1Tw0kKXBP0OSGk8qoTwv+kYBbq8IG0682TwzP/fBDCUZG07c/SwHyKiBXonhGkneITwrf0kBndFgG0508RwEBVmBXp0TGUPrYSwT/VeB711WGk/KvVwFLAZB3GniGELceTw6F0gBrHvRGEzsSTwXD4eB3osYGkZJ8Rw7LUhB7ObpG0gtATwmJBjBbzIhGkA8IUwBD9nB7OTSGEO9sRwimEnBXTJUGUaXaTwJ64kBz5gNG0IdSSw HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
LJHVSBDxvUGUAoMTw1kROBDyiMGEJT+SwINhOB/NlJGEi4gRwCbTMBDwQPGEIYsQwe5uIB7KrQGED9WTw3AKIBf1zSGkHL2UwZxgCBDNwVGUluOVwDdxBBLtVWGUCPwWwFV4BB30PLG05fbXw5MeRBn4ocGUXdATwb7MPB/hbFG0uQkTwf/5HBHiHYG0Xl0SwX7tFBnL1KGEsBETwqodJBX63LGkGtZVwMVvKB3WeZGEACGVwAjnBB/XjdGke/zUwQ4c/AnH7PGkVQ0Uwog6EBX2PbGEGULXwdd37AvjGaGkoc9Ww8eUBBPpKMG0lXNYwqA29ALrtGGEnjDXw62dFBroDHGEPRTXw HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
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LtzRLBzPn3FEKGRMw+N1GBjSIsF0Uq/Kw34dBB3MU3FkXobLwE4H9A/Gq7FUsrhJwL+E/ADGX4FEwnrNwYfbMBD9KDGk9ziLwaomHBbW6qFkWt2Iw5kmGB7k9bFU60xLw HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
LrrZuAzCSZHkBIvSwrrZmAzCSZHkBIvSwrrZuAzCShHkBIvSw HKH_2021_2HLE_run_1_complex.711_chain_B_0_0000100001_0000001_0
SCORE:  -1007.151  -1836.499    186.665   1155.240               -110.693                 32.352                 72.050    611.623       -669.053            -3.965                 -27.185   -631.010          -93.159        -52.043       -162.130       -100.445     -34.645       -4.831                   23.698     10.185        21.364       152.061        279.278    -80.989      69.874    -48.589       0.000         40.231        193.465   5664.000 HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
RES_NUM A:1-188 B:189-321 z:1 HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
FOLD_TREE  EDGE 322 172 4  EDGE 172 1 -1  EDGE 172 188 -1  EDGE 1 189 1  EDGE 189 231 -1  EDGE 231 232 2  EDGE 232 252 -1  EDGE 252 253 3  EDGE 253 321 -1  HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
RT -0.473171 0.112676 -0.873735 -0.305556 0.909231 0.282727 0.826284 0.400753 -0.395793 -21.8681 -39.1158 -17.9155   HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
RT -0.575978 0.800276 -0.166757 -0.817442 -0.562329 0.124797 0.00609935 0.208195 0.978068 3.38673 -4.02768 -0.0639188   HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
RT -0.964955 -0.12396 -0.23129 0.169112 -0.967714 -0.186896 -0.200655 -0.21946 0.954764 -5.62185 -6.25344 -6.60777   HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
RT -0.489814 -0.299929 -0.818611 -0.869815 0.231864 0.4355 0.059187 0.925355 -0.374453 -3.2404 0.763115 0.6765   HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]GHH[HIS_D]HH[HIS_D]HH[HIS_D]EETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVC[CYS:disulfide]DVQRAPGQAH[HIS_D]WLRTGWVPRRGAVH[HIS_D]VYATLRFTMLEC[CYS:disulfide]LSLPRAGRSC[CYS:disulfide]KETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGAC[CYS:disulfide]MALLSLHLFYKK[LYS:CtermProteinFull]I[ILE:NtermProteinFull]VLEPIYWNSSNSKFLPGQGLVLYPQIGDKLDIIC[CYS:disulfide]PKVDSKTV[VAL:CtermTruncation]Q[GLN:NtermTruncation]YEYYKVYMVDKDQADRC[CYS:disulfide]TIK[LYS:CtermTruncation]P[PRO:NtermTruncation]LLNC[CYS:disulfide]ARPDQDVKFTIKFQEFSPNLWGLEFQKNKDYYIISTSNGSLEGLDNQEGGVC[CYS:disulfide]QTRAMKILMKVG[GLY:CtermProteinFull]X HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
NONCANONICAL_CONNECTION: 99  SG  89  SG
NONCANONICAL_CONNECTION: 176  SG  53  SG
NONCANONICAL_CONNECTION: 257  SG  223  SG
NONCANONICAL_CONNECTION: 309  SG  249  SG
CHAIN_ENDINGS  188 HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
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LDgSKBbwOPCkbofCQ07VMBTkQ3C0ftQAQd9BLB3nx6C0s+fxPngHKBH06dDUmFlZPQ8CKB/9zdDUBjJDQ1F6MB3KL2B0FBSEQWqrQBraM3CEP/sAQ16uLBrf06D0DdeBQG3CLBLaFcDUE6VHQQrsFBf/teDULytCQ HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
LVmLLB7iCXCkkW0fvzY3JBbS4YC0dRP8v3kjOBj3cmCE0OjBwjnPRBHIsMCEkxJEwITVHBbFofBUb+u/vqO1BBrXgSB0XS76vHoe9A76/b/TMKe+vg1l6AnKyAAkbWIGwc8LMBPs70BUgeAqPng0GBrM1wCE4FL9vQmxJB/8zsAkWfH9vxhFHBv7ZeBkZrJEwUTe+A3tGDCU0im9viUHCBPl9WB0LaSpvk3r2ATbrS+T3wyHwk36AB/VEMA0OwHIwBhW1AzUV4AUBAhGw HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
Lu6gPBzFzPDEwsPBw71tTB/oLnD0ay8DwgLmRB7rKJEkv92FwzkVOB3fZTEUawIDwhqbYBzjBsDEAYLAw1VIXB/Q8BEELkk0vqYsbBT1CCEUOY7jPXl9ZBn0XNE0sPk7PUoKeB336NEkkG6BQSfCNBnSqfDUldW9vQN/UB3MFVDkCGdHwhYobBn2K9DUwYNCwZ44ZBDO0MDk6jO+vQatTBThb1DknttpvgyIWBvgdSEU2mP4vYkIfBDNNKEEbhynv1Q1cBnfKjDUoqwtPKheWBnbEFEEIJ0+PhI0YBT7wdEEcPo5PTgdcBHaxVEkK9HFQ4/sgBDH7VE0sBlAQY1NfBDM09DEM/8CQ HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
Lc7sTBDncQEkkjLJwUwOSBPR2kE0FkYKwtdzWBjEx0EUCoMKwdhQbBfUUwEU4PGLw6dJRBfejhE0ukYNw7jmMB3Z5QEUi9zNwiL5PBzvg3Ek/0zOwRcVMBrQIIEUOAVQw9KbWBve1GEUnRIKwH4vOB3rarEEDhXJw6mkUBrvdbEUIyNOwBMzIBjwTYEEbKVNw+CNNBruZDEEwveMwQJUPBrUI1EUHCeQwpyMTBTHZCFUpMiOw46WMBHos+EUtZ+NwrEJJBzcP5DECqZQwBPAQBfTTAE0NgkQwfqsLBDLoUE0bfCRw HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
LFquVBbmcHFE12FJwZyuZBH/QYFUvO+IwpoJYBXR0oFUvYCLw5IjTBDbJwF0ihELwSH4ZBDkqiFkm6XEwrvieBHB8yFUJBJDw34bfBHqGzFEczR6vz4NdBvW+EGEbEAFwnNASBf7DKFUWGUIwFLqdBDL2RF017eJwi0BaBvi9VFUFNZBwAYKWBzZKrFkDX3DwFiFhB3BntFkmiIFwc0WhBTAB+FEkyW4vzkNgB3QEjFE6y/2vNzybBbNe4FU2ro0v/QSgBj9QKGE59/Dw/qqZBTAwHGkkX+CwkflcBztYFGEAynIw HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
LBLzbBjtFuFU7F2MwRjgaBnHH+F0EW1OwjQQeB7AgIGUcHlOwcZkhBvtWHG0O81OwxaIbBHsM1FEQp0QwelAYBfvUhFEBuGRwjtQYBnKsZF0aA1Sw6cFfBTG4SFkxbHTwIyffBLLDnFE000MwSdcWBf07BGkl1hOw4VTfBrEpxFUmn+QwMh+ZBzqsAGEFNjRwgo2TBHAmjFUtzzQwSqsZB3+TUFEzygQw4FjfBrBMOF0JsJUwumIgBbMxFFE0RdSw++ygBvcmgFkDm7Sw HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
L/HCcBfG5RGEjEHOwzuZfBXJVbGkq++Nw6t3eBP4BgG0wlXQwoQpaB73PkG0SWtQwnsddBz8MjGEuV5Lw8YcgBj8etGERdkLwPDHjBzCErGEyYLKw5hukBr5E1G0HFnJwoNMnB/MoyGksLCIw609XB35cSGkC53NwB7xhBDEGZGEyIoNw5pQdBDlMfGEIR9JwGfhZBTlblGUY8bMwhQteBrwWzG0P/ZKwLo2gBXB7wGE3siNwU8UkBvb2lGk++bLwJwuiBby7mGUe8SIw9igjB7Ew6GUVOgIwZ/TlBbyp4GkTJgLwYsOoB7Eb5GEqvZHw8CXoB7DZtGUylCJw1CqmBH7UvG0KygEw HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
LNkghBHbPfGEiNLRwhrLhBbSkiGEMajSwObRiBjv1tGUvAwSwmJkkBDcHwGUgAZSw+8kiBzgiaGEQjgTwojKiBLIKeG04a+UwvSfhBz37OGklbQTwOeSjB3cOcG0WK1QwraHeBLrniGEVqySwz+ukBH7oaGEAAUTwoqIjBrBtYG0TqoVwKm/iBTVImG0rAIVwzcBgBzOReGUmCNVwb8fiBjlYJG08N6TwBUzeB7kmOGkqkcTwHm2hBfyoMGELIOSw HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
LfbmgBTMz0Gkz6TTwSSQhBTP+/Gk+pkTwEAyhB7zZGHEITTSwmIgiBzDzPHkk1XSwLXqhBXqBCHELCNRw1NedBv6AyGUEgkTwOoMfBndlDHECtGUwI09iBzGcAH0qMPUw HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
LDFTo/OJXdGk9yNRwLUMh+OJXdGk9yNRwDFTo/OJXlGk9yNRw HKH_2021_2HLE_run_2_complex.866_chain_B_13_0000400004_0000001_0
SCORE:  -1059.498  -1831.744    177.708   1152.244               -111.046                 32.307                 72.614    615.830       -667.775            -3.804                 -25.367   -654.469          -93.976        -52.327       -163.558        -99.479     -43.373       -4.967                   16.803      7.901        27.447       147.267        275.893    -84.135      69.593    -48.589       0.000         44.258        185.245   6029.000 HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
RES_NUM A:1-188 B:189-321 z:1 HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
FOLD_TREE  EDGE 322 180 4  EDGE 180 1 -1  EDGE 180 188 -1  EDGE 1 189 1  EDGE 189 231 -1  EDGE 231 232 2  EDGE 232 252 -1  EDGE 252 253 3  EDGE 253 321 -1  HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
RT -0.681356 -0.668704 -0.297639 0.648795 -0.363512 -0.668523 0.338849 -0.648609 0.681533 -55.3943 -22.9554 6.59424   HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
RT -0.611717 0.783114 -0.111959 -0.789404 -0.595078 0.150746 0.0514274 0.180594 0.982212 3.18673 -4.18893 -0.0941317   HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
RT -0.940427 -0.230502 -0.249931 0.284926 -0.935392 -0.209428 -0.18551 -0.268163 0.945344 -5.83509 -6.072 -6.56083   HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
RT -0.719145 0.506534 -0.475661 0.396973 -0.262335 -0.879541 -0.570301 -0.821342 -0.0124231 -0.449113 0.533997 5.89606   HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]GHH[HIS_D]HHHHEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVC[CYS:disulfide]DVQRAPGQAHWLRTGWVPRRGAVH[HIS_D]VYATLRFTMLEC[CYS:disulfide]LSLPRAGRSC[CYS:disulfide]KETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGAC[CYS:disulfide]MALLSLHLFYKK[LYS:CtermProteinFull]I[ILE:NtermProteinFull]VLEPIYWNSSNSKFLPGQGLVLYPQIGDKLDIIC[CYS:disulfide]PKVDSKTV[VAL:CtermTruncation]Q[GLN:NtermTruncation]YEYYKVYMVDKDQADRC[CYS:disulfide]TIK[LYS:CtermTruncation]P[PRO:NtermTruncation]LLNC[CYS:disulfide]ARPDQDVKFTIKFQEFSPNLWGLEFQKNKDYYIISTSNGSLEGLDNQEGGVC[CYS:disulfide]QTRAMKILMKVG[GLY:CtermProteinFull]X HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
NONCANONICAL_CONNECTION: 99  SG  89  SG
NONCANONICAL_CONNECTION: 176  SG  53  SG
NONCANONICAL_CONNECTION: 257  SG  223  SG
NONCANONICAL_CONNECTION: 309  SG  249  SG
CHAIN_ENDINGS  188 HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
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LKRn2BZLIYJkajnewe/J2B1wAXJ0e+5dwvVXzBVbiYJkbbqdwm/CzBxyCcJErOPdw9uw3BVfUbJkK0uewx1e2BF3wSJ0t/zdwFEp3BJQJZJETBndw HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
L/zVxBhDJWJE479dwlOluBdUKXJk1txdw618tBxnPUJEVaIdw0syuBhTqPJk+eCdwaynsBdgdVJU4sUewW/ypBRH/WJ0+cKew0gNoBlIDUJ0R9udw1FToB1OMbJ05GXewzF3lB9VZWJkMLrdwJJ3lBxjuaJ0mQDewBdzxBx6WTJUMpUewCDTuBl0abJEC8rdwf7LtB51TXJ0t8yewn1tsB1CJRJ0O7Yew1h6oBN/XeJ020sewp9MkBROAVJEpgXdwhkUkBd+TdJ0wgGew HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
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LipbnBxZvRJkF6lbw8AtkBdHgSJ0q6Wbw+DbkBJ5uQJUNvoawoQxkBplBMJURdeawKqriB11ZPJESYybwuSgfBRtMQJ0xClbwochbBZcmMJ0G6vbwlACdBpwIUJ06QObwSU5WB1jROJ0hDgbwgztXBdf0SJUTwLbwqyUoBZWKOJ0oUhbwH+LkBFpuWJkccYbwwv4iB9FoQJ0VnTcw5XIjBpZJLJEkywbwTC3eBlmrXJk4UAbwITDTBRuPMJkeNjbwut4UBlFAVJEFf8aw HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
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LIUv9AJawvIUdtnNw2NvzAxv1uIE83LMwE+A1A17OqIkGgLKwC3VwA1cQqIUmaAIw3NErAlkQtI037MOwT4RoAdbPxIES0NQwSEkgAdcmuIE7ELRwVBKjA53J2IUhMPPwFof/AdRRtIEZ+KPwRvixAJebyI0YHGLwNVQtAR3dpIUS0HPwvRzjA9CtsIk6LFNwQ7dvAFhWyIkLDxQwjqCdApuZxIE+09RwXYSkAN7DrIkwjmRwEcuSAhRdtIEEJpQwiV6gAtb44IkJrZQw/yMYAldD1Ik0nJOwh1roAhHC4I0F06Nw HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
LkIN7AlbLmIUZv/KwHfX9A5DXhI0fYYJwfvXEBJNTfIkK50JwtlLGBVmqeIE/MGMwWaH1AVg5cIEAc9Jwk851ARteXIkhdTIwbkuqAZjGVIU2WuHwTZY8A1TXTIExh5Jwwje+AZ0imI0dz2Mw0Ko8AllciIUxojGwdBHtAx8heIEGMuJwvDL2AZ4wbIUfb+LwO0n5A5JOYI0aHvEw9LZrAFfXRI07pfFw2P4lApd6XIkqzcFwF27mAt2TUIkT/xJw+Tp8AB0rPI0NAyIwjzc4AV6pSIE+axLwPSPCBdKtUI0T5RKw HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
L2/KHBNjDeIkGMUHwlhlMBBu3bI0/upHw7naNBdztXIUPMSDwYMwNBtXHZIE7gJ9vEktQBdHXgIETlUHwimfWBVbneI0NnCIwqLQYBRhiaIU2r3FwuTeZBhFqhIERXmJwEThFBlKoeIEx3qDwy0CNBJB0ZIECWvJwzj0PBJQKjIkl8MJwmVWQBNabiIEkDgDwaIUdBNbtgIkVe8JwZP7XB5a9kIkxvbKw HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
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LDQvXBJq5OIEARfCwzlYdBxYDOIU2rTBwfZSfB1scRIEDYP5vYP+gBBLgPIUEdUnvglZgBhQZPI0hwNGwP3ZjBd+iOIE5jfFwvR7kBtU2PI0nqTJwph7nBlbKPIUD07IwqxcpB1ZhQIkfJaLw87qWBp6bQIk0/EGwDt9dBF12JIk9eQAwIvffBxR+MIUpryIw/EGgBdrkTI003SHwiUJkBN7GRI02RSCwW5xjBBfaKIUYGaEwEwQkBRrMNIkXU6Kwy0gkBRT+TI0Fz4JwHmmoBR8vRIk5goGwznWoBByALIEw/ZIwH7crBhd9PI0vrELwJO5oB1gGOI0BU7MwofIpBR5VUIks07Lw HKH_2021_2HLE_run_1_complex.45_chain_B_13_0000400004_0000001_0
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SCORE:  -999.874  -1846.857    194.087   1166.555               -111.527                 33.836                 72.668    615.510       -673.042            -3.915                 -25.248   -646.095          -92.216        -52.259       -160.286       -103.359     -39.463       -4.764                   25.773      8.888        25.883       155.090        275.377    -81.139      68.838    -48.589       0.000         46.453        199.929   8283.000 HKH_2021_2HLE_run_1_complex.295_chain_B_11_0000100001_0000001_0
REMARK BINARY SILENTFILE HKH_2021_2HLE_run_1_complex.295_chain_B_11_0000100001_0000001_0
RES_NUM A:1-188 B:189-322 HKH_2021_2HLE_run_1_complex.295_chain_B_11_0000100001_0000001_0
FOLD_TREE  EDGE 322 171 4  EDGE 171 1 -1  EDGE 171 188 -1  EDGE 1 189 1  EDGE 189 231 -1  EDGE 231 232 2  EDGE 232 252 -1  EDGE 252 253 3  EDGE 253 321 -1  HKH_2021_2HLE_run_1_complex.295_chain_B_11_0000100001_0000001_0
RT 0.176909 -0.945326 0.273975 -0.984129 -0.173836 0.03566 0.0139164 -0.275936 -0.961075 -47.5494 -39.8986 -16.4297   HKH_2021_2HLE_run_1_complex.295_chain_B_11_0000100001_0000001_0
RT -0.507207 0.848297 -0.152098 -0.860781 -0.507321 0.0409961 -0.0423855 0.151716 0.987515 3.42729 -3.82888 -0.717429   HKH_2021_2HLE_run_1_complex.295_chain_B_11_0000100001_0000001_0
RT -0.960773 -0.192325 -0.199814 0.220576 -0.966642 -0.130191 -0.168109 -0.169158 0.971146 -5.19428 -6.17798 -6.83246   HKH_2021_2HLE_run_1_complex.295_chain_B_11_0000100001_0000001_0
RT 0.525494 0.0774271 0.847267 -0.850782 0.0418275 0.523852 0.00512125 -0.99612 0.0878536 -4.01496 -0.290157 -0.206329   HKH_2021_2HLE_run_1_complex.295_chain_B_11_0000100001_0000001_0
ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]GHH[HIS_D]HH[HIS_D]HHEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVC[CYS:disulfide]DVQRAPGQAHWLRTGWVPRRGAVH[HIS_D]VYATLRFTMLEC[CYS:disulfide]LSLPRAGRSC[CYS:disulfide]KETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGAC[CYS:disulfide]MALLSLHLFYKK[LYS:CtermProteinFull]I[ILE:NtermProteinFull]VLEPIYWNSSNSKFLPGQGLVLYPQIGDKLDIIC[CYS:disulfide]PKVDSKTV[VAL:CtermTruncation]Q[GLN:NtermTruncation]YEYYKVYMVDKDQADRC[CYS:disulfide]TIK[LYS:CtermTruncation]P[PRO:NtermTruncation]LLNC[CYS:disulfide]ARPDQDVKFTIKFQEFSPNLWGLEFQKNKDYYIISTSNGSLEGLDNQEGGVC[CYS:disulfide]QTRAMKILMKVG[GLY:CtermProteinFull]X HKH_2021_2HLE_run_1_complex.295_chain_B_11_0000100001_0000001_0
NONCANONICAL_CONNECTION: 99  SG  89  SG
NONCANONICAL_CONNECTION: 176  SG  53  SG
NONCANONICAL_CONNECTION: 257  SG  223  SG
NONCANONICAL_CONNECTION: 309  SG  249  SG
CHAIN_ENDINGS  188 HKH_2021_2HLE_run_1_complex.295_chain_B_11_0000100001_0000001_0
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L6opZAjp5BHUqRmSw6opJAjp5BHUqRmSw6opZAjp5JHUqRmSw HKH_2021_2HLE_run_1_complex.295_chain_B_11_0000100001_0000001_0
SCORE:  -997.334  -1843.160    196.076   1141.369               -109.888                 33.174                 72.319    613.366       -666.495            -3.852                 -26.419   -623.352          -94.385        -52.875       -164.092        -91.079     -37.051       -4.855                   21.560      9.748        26.659       149.560        282.540    -83.286      69.986    -48.589       0.000         40.761        194.926   9422.000 HKH_2021_2HLE_run_1_complex.710_chain_B_6_0000200002_0000001_0
RES_NUM A:1-188 B:189-321 z:1 HKH_2021_2HLE_run_1_complex.710_chain_B_6_0000200002_0000001_0
FOLD_TREE  EDGE 322 122 4  EDGE 122 1 -1  EDGE 122 188 -1  EDGE 1 189 1  EDGE 189 231 -1  EDGE 231 232 2  EDGE 232 252 -1  EDGE 252 253 3  EDGE 253 321 -1  HKH_2021_2HLE_run_1_complex.710_chain_B_6_0000200002_0000001_0
RT 0.32695 -0.924905 -0.19405 -0.501429 0.00426794 -0.865188 0.801045 0.380175 -0.462379 -42.4879 -23.6092 -25.0572   HKH_2021_2HLE_run_1_complex.710_chain_B_6_0000200002_0000001_0
RT -0.402023 0.906553 -0.128608 -0.915615 -0.397222 0.0621649 0.00526991 0.142747 0.989745 3.60012 -3.67328 -0.824275   HKH_2021_2HLE_run_1_complex.710_chain_B_6_0000200002_0000001_0
RT -0.966342 -0.152548 -0.207151 0.191637 -0.964059 -0.184028 -0.171632 -0.217532 0.960845 -5.89366 -6.29301 -6.4457   HKH_2021_2HLE_run_1_complex.710_chain_B_6_0000200002_0000001_0
RT -0.890634 -0.0150926 -0.45447 -0.22329 0.885169 0.408189 0.396122 0.465026 -0.791731 2.01354 -1.81748 -0.630452   HKH_2021_2HLE_run_1_complex.710_chain_B_6_0000200002_0000001_0
ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]GHH[HIS_D]HH[HIS_D]HHEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVC[CYS:disulfide]DVQRAPGQAHWLRTGWVPRRGAVH[HIS_D]VYATLRFTMLEC[CYS:disulfide]LSLPRAGRSC[CYS:disulfide]KETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGAC[CYS:disulfide]MALLSLHLFYKK[LYS:CtermProteinFull]I[ILE:NtermProteinFull]VLEPIYWNSSNSKFLPGQGLVLYPQIGDKLDIIC[CYS:disulfide]PKVDSKTV[VAL:CtermTruncation]Q[GLN:NtermTruncation]YEYYKVYMVDKDQADRC[CYS:disulfide]TIK[LYS:CtermTruncation]P[PRO:NtermTruncation]LLNC[CYS:disulfide]ARPDQDVKFTIKFQEFSPNLWGLEFQKNKDYYIISTSNGSLEGLDNQEGGVC[CYS:disulfide]QTRAMKILMKVG[GLY:CtermProteinFull]X HKH_2021_2HLE_run_1_complex.710_chain_B_6_0000200002_0000001_0
NONCANONICAL_CONNECTION: 99  SG  89  SG
NONCANONICAL_CONNECTION: 176  SG  53  SG
NONCANONICAL_CONNECTION: 257  SG  223  SG
NONCANONICAL_CONNECTION: 309  SG  249  SG
CHAIN_ENDINGS  188 HKH_2021_2HLE_run_1_complex.710_chain_B_6_0000200002_0000001_0
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