data_PRDCC_002560
# 
_chem_comp.id                                    PRD_002560 
_chem_comp.name                                  "Entolysin A" 
_chem_comp.formula                               "C81 H141 N17 O23" 
_chem_comp.formula_weight                        1721.086 
_chem_comp.pdbx_release_status                   REF_ONLY 
_chem_comp.type                                  peptide-like 
_chem_comp.pdbx_type                             ? 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    ? 
_chem_comp.pdbx_initial_date                     ? 
_chem_comp.pdbx_modified_date                    ? 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ? 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   ? 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   ? 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_pcm                              ? 
_chem_comp.pdbx_processing_site                  ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_residue_numbering 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_polymer_type 
_chem_comp_atom.pdbx_ref_id 
_chem_comp_atom.pdbx_component_id 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_chem_comp_atom.pdbx_ordinal 
PRD_002560 N1   N1   N 0 1 N N N 6.093   4.208  -5.759 -19.158 0.275  -0.781 LEU 1  N    polymer     1 1 Y Y N 1   
PRD_002560 C1   C1   C 0 1 N N S 5.200   3.216  -6.360 -18.151 -0.478 -0.029 LEU 1  CA   polymer     1 1 Y N N 2   
PRD_002560 C2   C2   C 0 1 N N N 3.805   3.344  -5.695 -16.879 -0.557 -0.833 LEU 1  C    polymer     1 1 Y N Y 3   
PRD_002560 O1   O1   O 0 1 N N N 3.167   2.375  -5.217 -16.894 -0.299 -2.018 LEU 1  O    polymer     1 1 Y N Y 4   
PRD_002560 C3   C3   C 0 1 N N N 5.584   1.720  -6.289 -18.670 -1.891 0.244  LEU 1  CB   polymer     1 1 N N N 5   
PRD_002560 C4   C4   C 0 1 N N N 6.796   1.296  -7.112 -17.663 -2.645 1.115  LEU 1  CG   polymer     1 1 N N N 6   
PRD_002560 C5   C5   C 0 1 N N N 8.093   1.856  -6.616 -17.573 -1.975 2.487  LEU 1  CD1  polymer     1 1 N N N 7   
PRD_002560 C6   C6   C 0 1 N N N 6.930   -0.198 -7.031 -18.120 -4.095 1.284  LEU 1  CD2  polymer     1 1 N N N 8   
PRD_002560 N2   N2   N 0 1 N N N 3.269   4.634  -5.529 -15.725 -0.914 -0.236 DGL 2  N    polymer     1 1 Y Y N 9   
PRD_002560 C7   C7   C 0 1 N N R 1.928   4.937  -5.102 -14.465 -0.855 -0.981 DGL 2  CA   polymer     1 1 Y N N 10  
PRD_002560 C8   C8   C 0 1 N N N 1.890   4.605  -3.547 -13.319 -0.693 -0.016 DGL 2  C    polymer     1 1 Y N Y 11  
PRD_002560 O2   O2   O 0 1 N N N 0.824   4.317  -3.073 -13.533 -0.633 1.176  DGL 2  O    polymer     1 1 Y N Y 12  
PRD_002560 C9   C9   C 0 1 N N N 1.430   6.396  -5.464 -14.283 -2.148 -1.778 DGL 2  CB   polymer     1 1 N N N 13  
PRD_002560 C10  C10  C 0 1 N N N 2.138   7.471  -4.676 -15.377 -2.250 -2.842 DGL 2  CG   polymer     1 1 N N N 14  
PRD_002560 C11  C11  C 0 1 N N N 3.590   7.514  -5.074 -15.197 -3.524 -3.627 DGL 2  CD   polymer     1 1 N N N 15  
PRD_002560 O3   O3   O 0 1 N N N 3.891   7.914  -6.192 -14.287 -4.273 -3.363 DGL 2  OE1  polymer     1 1 N N N 16  
PRD_002560 O4   O4   O 0 1 N N N 4.426   7.099  -4.285 -16.049 -3.826 -4.620 DGL 2  OE2  polymer     1 1 N N N 17  
PRD_002560 N3   N3   N 0 1 N N N 3.034   4.602  -2.792 -12.055 -0.614 -0.479 DGN 3  N    polymer     1 1 Y Y N 18  
PRD_002560 C12  C12  C 0 1 N N R 3.104   4.142  -1.408 -10.941 -0.456 0.458  DGN 3  CA   polymer     1 1 Y N N 19  
PRD_002560 C13  C13  C 0 1 N N N 2.826   2.662  -1.223 -9.679  -0.993 -0.167 DGN 3  C    polymer     1 1 Y N Y 20  
PRD_002560 O5   O5   O 0 1 N N N 1.994   2.204  -0.443 -9.708  -1.460 -1.286 DGN 3  O    polymer     1 1 Y N Y 21  
PRD_002560 C14  C14  C 0 1 N N N 4.523   4.483  -0.756 -10.756 1.026  0.787  DGN 3  CB   polymer     1 1 N N N 22  
PRD_002560 C15  C15  C 0 1 N N N 4.952   5.912  -0.897 -11.989 1.540  1.534  DGN 3  CG   polymer     1 1 N N N 23  
PRD_002560 C16  C16  C 0 1 N N N 3.833   6.932  -0.624 -11.808 3.000  1.858  DGN 3  CD   polymer     1 1 N N N 24  
PRD_002560 O6   O6   O 0 1 N N N 3.145   7.052  0.335  -10.793 3.574  1.525  DGN 3  OE1  polymer     1 1 N N N 25  
PRD_002560 N4   N4   N 0 1 N N N 3.578   7.974  -1.451 -12.774 3.669  2.519  DGN 3  NE2  polymer     1 1 N N N 26  
PRD_002560 N5   N5   N 0 1 N N N 3.462   1.827  -2.115 -8.518  -0.952 0.517  DVA 4  N    polymer     1 1 Y Y N 27  
PRD_002560 C17  C17  C 0 1 N N R 3.089   0.363  -2.152 -7.291  -1.474 -0.091 DVA 4  CA   polymer     1 1 Y N N 28  
PRD_002560 C18  C18  C 0 1 N N N 4.034   -0.504 -3.030 -7.207  -2.983 0.143  DVA 4  CB   polymer     1 1 N N N 29  
PRD_002560 C19  C19  C 0 1 N N N 5.306   -0.627 -2.182 -8.368  -3.676 -0.574 DVA 4  CG1  polymer     1 1 N N N 30  
PRD_002560 C20  C20  C 0 1 N N N 3.536   -1.844 -3.561 -5.880  -3.512 -0.405 DVA 4  CG2  polymer     1 1 N N N 31  
PRD_002560 C21  C21  C 0 1 N N N 1.663   0.150  -2.555 -6.096  -0.801 0.534  DVA 4  C    polymer     1 1 Y N Y 32  
PRD_002560 O7   O7   O 0 1 N N N 0.951   -0.682 -1.970 -6.229  -0.145 1.544  DVA 4  O    polymer     1 1 Y N Y 33  
PRD_002560 N6   N6   N 0 1 N N N 1.109   1.059  -3.475 -4.879  -0.929 -0.031 DLE 5  N    polymer     1 1 Y Y N 34  
PRD_002560 C22  C22  C 0 1 N N R -0.249  0.892  -3.895 -3.698  -0.379 0.639  DLE 5  CA   polymer     1 1 Y N N 35  
PRD_002560 C23  C23  C 0 1 N N N -0.470  1.767  -5.206 -3.490  1.071  0.196  DLE 5  CB   polymer     1 1 N N N 36  
PRD_002560 C24  C24  C 0 1 N N N -1.909  1.738  -5.632 -3.602  1.160  -1.327 DLE 5  CG   polymer     1 1 N N N 37  
PRD_002560 C25  C25  C 0 1 N N N -2.580  3.099  -5.363 -3.692  2.628  -1.748 DLE 5  CD1  polymer     1 1 N N N 38  
PRD_002560 C26  C26  C 0 1 N N N -2.006  1.647  -7.118 -2.368  0.520  -1.967 DLE 5  CD2  polymer     1 1 N N N 39  
PRD_002560 C27  C27  C 0 1 N N N -1.249  1.221  -2.738 -2.486  -1.195 0.273  DLE 5  C    polymer     1 1 Y N Y 40  
PRD_002560 O8   O8   O 0 1 N N N -2.280  0.605  -2.750 -2.603  -2.166 -0.445 DLE 5  O    polymer     1 1 Y N Y 41  
PRD_002560 N7   N7   N 0 1 N N N -0.930  2.141  -1.763 -1.272  -0.846 0.742  DGN 6  N    polymer     1 1 Y Y N 42  
PRD_002560 C28  C28  C 0 1 N N R -1.796  2.438  -0.597 -0.093  -1.639 0.385  DGN 6  CA   polymer     1 1 Y N N 43  
PRD_002560 C29  C29  C 0 1 N N N -1.883  1.221  0.372  1.140   -0.777 0.478  DGN 6  C    polymer     1 1 Y N Y 44  
PRD_002560 O9   O9   O 0 1 N N N -2.896  0.977  1.035  1.043   0.385  0.810  DGN 6  O    polymer     1 1 Y N Y 45  
PRD_002560 C30  C30  C 0 1 N N N -1.255  3.713  0.188  0.037   -2.820 1.349  DGN 6  CB   polymer     1 1 N N N 46  
PRD_002560 C31  C31  C 0 1 N N N -2.255  4.319  1.211  -1.155  -3.762 1.165  DGN 6  CG   polymer     1 1 N N N 47  
PRD_002560 C32  C32  C 0 1 N N N -1.645  5.364  2.153  -1.027  -4.925 2.114  DGN 6  CD   polymer     1 1 N N N 48  
PRD_002560 O10  O10  O 0 1 N N N -1.489  5.259  3.338  -0.076  -4.995 2.864  DGN 6  OE1  polymer     1 1 N N N 49  
PRD_002560 N8   N8   N 0 1 N N N -1.312  6.552  1.553  -1.970  -5.889 2.130  DGN 6  NE2  polymer     1 1 N N N 50  
PRD_002560 N9   N9   N 0 1 N N N -0.787  0.441  0.536  2.350   -1.298 0.193  DVA 7  N    polymer     1 1 Y Y N 51  
PRD_002560 C33  C33  C 0 1 N N R -0.743  -0.722 1.384  3.548   -0.461 0.284  DVA 7  CA   polymer     1 1 Y N N 52  
PRD_002560 C34  C34  C 0 1 N N N 0.780   -1.125 1.599  3.733   0.308  -1.026 DVA 7  CB   polymer     1 1 N N N 53  
PRD_002560 C35  C35  C 0 1 N N N 1.628   -0.196 2.447  3.765   -0.678 -2.195 DVA 7  CG1  polymer     1 1 N N N 54  
PRD_002560 C36  C36  C 0 1 N N N 0.891   -2.579 2.221  2.570   1.284  -1.214 DVA 7  CG2  polymer     1 1 N N N 55  
PRD_002560 C37  C37  C 0 1 N N N -1.563  -1.852 0.708  4.753   -1.332 0.530  DVA 7  C    polymer     1 1 Y N Y 56  
PRD_002560 O11  O11  O 0 1 N N N -2.305  -2.537 1.363  4.623   -2.534 0.621  DVA 7  O    polymer     1 1 Y N Y 57  
PRD_002560 N10  N10  N 0 1 N N N -1.440  -2.052 -0.656 5.974   -0.775 0.649  DLE 8  N    polymer     1 1 Y Y N 58  
PRD_002560 C38  C38  C 0 1 N N R -2.125  -3.075 -1.406 7.145   -1.622 0.888  DLE 8  CA   polymer     1 1 Y N N 59  
PRD_002560 C39  C39  C 0 1 N N N -1.600  -3.103 -2.861 7.283   -1.890 2.388  DLE 8  CB   polymer     1 1 N N N 60  
PRD_002560 C40  C40  C 0 1 N N N -0.244  -3.760 -2.925 6.085   -2.710 2.872  DLE 8  CG   polymer     1 1 N N N 61  
PRD_002560 C41  C41  C 0 1 N N N -0.374  -5.337 -2.936 6.110   -4.089 2.209  DLE 8  CD1  polymer     1 1 N N N 62  
PRD_002560 C42  C42  C 0 1 N N N 0.422   -3.385 -4.250 6.157   -2.873 4.391  DLE 8  CD2  polymer     1 1 N N N 63  
PRD_002560 C43  C43  C 0 1 N N N -3.601  -2.684 -1.394 8.382   -0.921 0.388  DLE 8  C    polymer     1 1 Y N Y 64  
PRD_002560 O12  O12  O 0 1 N N N -4.420  -3.602 -1.232 8.294   0.177  -0.118 DLE 8  O    polymer     1 1 Y N Y 65  
PRD_002560 N11  N11  N 0 1 N N N -4.014  -1.312 -1.453 9.587   -1.516 0.504  DGN 9  N    polymer     1 1 Y Y N 66  
PRD_002560 C44  C44  C 0 1 N N R -5.319  -0.843 -1.123 10.789  -0.835 0.017  DGN 9  CA   polymer     1 1 Y N N 67  
PRD_002560 C45  C45  C 0 1 N N N -5.750  -1.228 0.355  11.993  -1.348 0.764  DGN 9  C    polymer     1 1 Y N Y 68  
PRD_002560 O13  O13  O 0 1 N N N -6.900  -1.709 0.543  11.874  -2.262 1.552  DGN 9  O    polymer     1 1 Y N Y 69  
PRD_002560 C46  C46  C 0 1 N N N -5.363  0.714  -1.362 10.961  -1.109 -1.478 DGN 9  CB   polymer     1 1 N N N 70  
PRD_002560 C47  C47  C 0 1 N N N -6.775  1.308  -1.123 9.723   -0.618 -2.232 DGN 9  CG   polymer     1 1 N N N 71  
PRD_002560 C48  C48  C 0 1 N N N -6.825  2.803  -1.632 9.892   -0.888 -3.705 DGN 9  CD   polymer     1 1 N N N 72  
PRD_002560 O14  O14  O 0 1 N N N -5.915  3.307  -2.337 10.903  -1.420 -4.112 DGN 9  OE1  polymer     1 1 N N N 73  
PRD_002560 N12  N12  N 0 1 N N N -7.754  3.676  -1.117 8.919   -0.539 -4.570 DGN 9  NE2  polymer     1 1 N N N 74  
PRD_002560 N13  N13  N 0 1 N N N -4.768  -0.987 1.353  13.203  -0.791 0.555  DSN 10 N    polymer     1 1 Y Y N 75  
PRD_002560 C49  C49  C 0 1 N N R -5.078  -1.198 2.723  14.395  -1.374 1.177  DSN 10 CA   polymer     1 1 Y N N 76  
PRD_002560 C50  C50  C 0 1 N N N -5.531  -2.621 3.086  15.595  -1.107 0.308  DSN 10 C    polymer     1 1 Y N Y 77  
PRD_002560 O15  O15  O 0 1 N N N -6.638  -2.904 3.423  15.608  -0.167 -0.459 DSN 10 O    polymer     1 1 Y N Y 78  
PRD_002560 C51  C51  C 0 1 N N N -3.915  -0.690 3.649  14.604  -0.750 2.558  DSN 10 CB   polymer     1 1 N N N 79  
PRD_002560 O16  O16  O 0 1 N N N -4.200  -1.015 5.000  13.941  0.542  2.609  DSN 10 OG   polymer     1 1 N N N 80  
PRD_002560 N14  N14  N 0 1 N N N -4.528  -3.584 2.968  16.672  -1.948 0.403  VAL 11 N    polymer     1 1 Y Y N 81  
PRD_002560 C52  C52  C 0 1 N N S -4.686  -4.975 3.378  17.780  -1.637 -0.533 VAL 11 CA   polymer     1 1 Y N N 82  
PRD_002560 C53  C53  C 0 1 N N N -4.928  -4.974 4.891  18.296  -0.254 -0.234 VAL 11 C    polymer     1 1 Y N Y 83  
PRD_002560 O17  O17  O 0 1 N N N -4.643  -4.014 5.559  18.362  0.148  0.909  VAL 11 O    polymer     1 1 Y N Y 84  
PRD_002560 C54  C54  C 0 1 N N N -3.492  -5.894 2.909  17.265  -1.692 -1.972 VAL 11 CB   polymer     1 1 N N N 85  
PRD_002560 C55  C55  C 0 1 N N N -3.276  -5.903 1.332  16.260  -2.837 -2.111 VAL 11 CG1  polymer     1 1 N N N 86  
PRD_002560 C56  C56  C 0 1 N N N -2.154  -5.640 3.523  16.581  -0.368 -2.320 VAL 11 CG2  polymer     1 1 N N N 87  
PRD_002560 N15  N15  N 0 1 N N N -5.544  -6.103 5.391  18.690  0.538  -1.273 LEU 12 N    polymer     1 1 Y Y N 88  
PRD_002560 C57  C57  C 0 1 N N S -5.945  -6.265 6.781  19.223  1.868  -0.912 LEU 12 CA   polymer     1 1 Y N N 89  
PRD_002560 C58  C58  C 0 1 N N N -6.885  -5.139 7.325  18.073  2.780  -0.570 LEU 12 C    polymer     1 1 Y N Y 90  
PRD_002560 O18  O18  O 0 1 N N N -6.848  -4.851 8.449  16.993  2.645  -1.105 LEU 12 O    polymer     1 1 Y N Y 91  
PRD_002560 C59  C59  C 0 1 N N N -4.822  -6.558 7.759  20.000  2.447  -2.096 LEU 12 CB   polymer     1 1 N N N 92  
PRD_002560 C60  C60  C 0 1 N N N -3.914  -7.769 7.451  21.230  1.579  -2.372 LEU 12 CG   polymer     1 1 N N N 93  
PRD_002560 C61  C61  C 0 1 N N N -2.577  -7.426 7.975  21.938  2.083  -3.631 LEU 12 CD1  polymer     1 1 N N N 94  
PRD_002560 C62  C62  C 0 1 N N N -4.442  -8.995 8.170  22.187  1.660  -1.181 LEU 12 CD2  polymer     1 1 N N N 95  
PRD_002560 N16  N16  N 0 1 N N N -7.777  -4.623 6.427  18.277  3.765  0.361  SER 13 N    polymer     1 1 Y Y N 96  
PRD_002560 C63  C63  C 0 1 N N S -8.555  -3.357 6.716  17.082  4.604  0.637  SER 13 CA   polymer     1 1 Y N N 97  
PRD_002560 C64  C64  C 0 1 N N N -7.709  -2.143 7.175  16.118  3.790  1.459  SER 13 C    polymer     1 1 Y N Y 98  
PRD_002560 O19  O19  O 0 1 N N N -8.133  -1.248 7.947  16.520  3.112  2.381  SER 13 O    polymer     1 1 Y N Y 99  
PRD_002560 C65  C65  C 0 1 N N N -9.765  -3.658 7.579  16.421  5.012  -0.681 SER 13 CB   polymer     1 1 N N N 100 
PRD_002560 O20  O20  O 0 1 N N N -10.574 -4.726 6.954  17.383  5.663  -1.514 SER 13 OG   polymer     1 1 N N N 101 
PRD_002560 N17  N17  N 0 1 N N N -6.403  -2.014 6.702  14.791  3.821  1.156  ILE 14 N    polymer     1 1 Y Y N 102 
PRD_002560 C66  C66  C 0 1 N N S -5.429  -0.886 7.056  13.927  2.931  1.964  ILE 14 CA   polymer     1 1 Y N N 103 
PRD_002560 C67  C67  C 0 1 N N N -4.947  -0.231 5.767  14.548  1.557  1.977  ILE 14 C    polymer     1 1 Y N Y 104 
PRD_002560 O21  O21  O 0 1 N N N -5.432  0.835  5.378  15.600  1.369  1.413  ILE 14 O    polymer     1 1 Y N Y 105 
PRD_002560 C68  C68  C 0 1 N N S -4.252  -1.381 7.975  12.531  2.861  1.340  ILE 14 CB   polymer     1 1 N N N 106 
PRD_002560 C69  C69  C 0 1 N N N -4.750  -2.104 9.267  11.674  1.862  2.119  ILE 14 CG1  polymer     1 1 N N N 107 
PRD_002560 C70  C70  C 0 1 N N N -3.226  -0.261 8.410  12.646  2.407  -0.117 ILE 14 CG2  polymer     1 1 N N N 108 
PRD_002560 C71  C71  C 0 1 N N N -3.841  -3.162 9.959  10.194  2.129  1.834  ILE 14 CD1  polymer     1 1 N N N 109 
PRD_002560 C72  C72  C 0 1 N N N 7.684   5.230  -4.187 -21.293 1.517  -0.919 IG8 15 CA   non-polymer 2 2 N N N 110 
PRD_002560 C73  C73  C 0 1 N N N 6.585   4.178  -4.487 -20.198 0.840  -0.135 IG8 15 C    non-polymer 2 2 Y N Y 111 
PRD_002560 O22  O22  O 0 1 N N N 5.879   3.641  -3.648 -20.252 0.803  1.076  IG8 15 O    non-polymer 2 2 Y N Y 112 
PRD_002560 C74  C74  C 0 1 N N R 8.390   4.951  -2.833 -22.344 2.069  0.047  IG8 15 CB   non-polymer 2 2 N N N 113 
PRD_002560 C75  C75  C 0 1 N N N 9.165   3.644  -2.914 -23.390 2.863  -0.738 IG8 15 CG2  non-polymer 2 2 N N N 114 
PRD_002560 O23  O23  O 0 1 N N N 9.348   6.009  -2.845 -22.980 0.987  0.729  IG8 15 OG1  non-polymer 2 2 N N N 115 
PRD_002560 C76  C76  C 0 1 N N N 9.815   3.173  -1.570 -24.369 3.520  0.237  IG8 15 CD   non-polymer 2 2 N N N 116 
PRD_002560 C77  C77  C 0 1 N N N 10.236  1.657  -1.438 -25.416 4.313  -0.548 IG8 15 CE   non-polymer 2 2 N N N 117 
PRD_002560 C78  C78  C 0 1 N N N 11.321  1.055  -2.312 -26.395 4.970  0.427  IG8 15 CZ   non-polymer 2 2 N N N 118 
PRD_002560 C79  C79  C 0 1 N N N 12.792  1.446  -2.021 -27.441 5.764  -0.358 IG8 15 CH   non-polymer 2 2 N N N 119 
PRD_002560 C80  C80  C 0 1 N N N 13.848  0.421  -4.191 -29.467 7.214  -0.167 IG8 15 CI   non-polymer 2 2 N N N 120 
PRD_002560 C81  C81  C 0 1 N N N 13.947  0.599  -2.652 -28.421 6.420  0.618  IG8 15 CT   non-polymer 2 2 N N N 121 
PRD_002560 H1   H1   H 0 1 N N N 6.368   4.979  -6.334 -19.074 0.371  -1.742 LEU 1  H    polymer     1 1 Y Y N 122 
PRD_002560 H2   H2   H 0 1 N N N 5.075   3.468  -7.423 -17.952 0.025  0.917  LEU 1  HA   polymer     1 1 Y N N 123 
PRD_002560 H3   H3   H 0 1 N N N 5.791   1.476  -5.237 -19.627 -1.833 0.763  LEU 1  HB2  polymer     1 1 N N N 124 
PRD_002560 H4   H4   H 0 1 N N N 4.720   1.135  -6.638 -18.801 -2.419 -0.700 LEU 1  HB3  polymer     1 1 N N N 125 
PRD_002560 H5   H5   H 0 1 N N N 6.643   1.594  -8.160 -16.684 -2.626 0.636  LEU 1  HG   polymer     1 1 N N N 126 
PRD_002560 H6   H6   H 0 0 N N N 8.914   1.506  -7.259 -18.531 -2.066 3.000  LEU 1  HD11 polymer     1 1 N N N 127 
PRD_002560 H7   H7   H 0 0 N N N 8.051   2.955  -6.641 -16.796 -2.460 3.079  LEU 1  HD12 polymer     1 1 N N N 128 
PRD_002560 H8   H8   H 0 0 N N N 8.267   1.519  -5.583 -17.327 -0.920 2.361  LEU 1  HD13 polymer     1 1 N N N 129 
PRD_002560 H9   H9   H 0 0 N N N 7.801   -0.521 -7.620 -18.184 -4.573 0.306  LEU 1  HD21 polymer     1 1 N N N 130 
PRD_002560 H10  H10  H 0 0 N N N 7.066   -0.497 -5.981 -17.402 -4.632 1.905  LEU 1  HD22 polymer     1 1 N N N 131 
PRD_002560 H11  H11  H 0 0 N N N 6.021   -0.670 -7.432 -19.099 -4.114 1.763  LEU 1  HD23 polymer     1 1 N N N 132 
PRD_002560 H12  H12  H 0 1 N N N 3.872   5.408  -5.725 -15.729 -1.211 0.688  DGL 2  H    polymer     1 1 Y Y N 133 
PRD_002560 H13  H13  H 0 1 N N N 1.238   4.235  -5.592 -14.488 -0.006 -1.665 DGL 2  HA   polymer     1 1 Y N N 134 
PRD_002560 H14  H14  H 0 1 N N N 1.608   6.572  -6.535 -13.306 -2.141 -2.261 DGL 2  HB2  polymer     1 1 N N N 135 
PRD_002560 H15  H15  H 0 1 N N N 0.352   6.461  -5.256 -14.349 -3.002 -1.105 DGL 2  HB3  polymer     1 1 N N N 136 
PRD_002560 H16  H16  H 0 1 N N N 1.672   8.445  -4.885 -16.354 -2.257 -2.358 DGL 2  HG2  polymer     1 1 N N N 137 
PRD_002560 H17  H17  H 0 1 N N N 2.059   7.250  -3.601 -15.311 -1.396 -3.515 DGL 2  HG3  polymer     1 1 N N N 138 
PRD_002560 H18  H18  H 0 1 N N N 5.288   7.146  -4.682 -15.892 -4.654 -5.095 DGL 2  HE2  polymer     1 1 N N N 139 
PRD_002560 H19  H19  H 0 1 N N N 3.875   4.937  -3.217 -11.884 -0.662 -1.433 DGN 3  H    polymer     1 1 Y Y N 140 
PRD_002560 H20  H20  H 0 1 N N N 2.352   4.694  -0.825 -11.155 -1.008 1.374  DGN 3  HA   polymer     1 1 Y N N 141 
PRD_002560 H21  H21  H 0 1 N N N 4.473   4.245  0.317  -9.873  1.153  1.414  DGN 3  HB2  polymer     1 1 N N N 142 
PRD_002560 H22  H22  H 0 1 N N N 5.282   3.849  -1.237 -10.630 1.591  -0.137 DGN 3  HB3  polymer     1 1 N N N 143 
PRD_002560 H23  H23  H 0 1 N N N 5.771   6.099  -0.187 -12.872 1.414  0.908  DGN 3  HG2  polymer     1 1 N N N 144 
PRD_002560 H24  H24  H 0 1 N N N 5.315   6.064  -1.924 -12.115 0.976  2.458  DGN 3  HG3  polymer     1 1 N N N 145 
PRD_002560 H25  H25  H 0 0 N N N 2.904   8.665  -1.191 -13.586 3.210  2.786  DGN 3  HE21 polymer     1 1 N N N 146 
PRD_002560 H26  H26  H 0 0 N N N 4.064   8.052  -2.321 -12.657 4.609  2.727  DGN 3  HE22 polymer     1 1 N N N 147 
PRD_002560 H27  H27  H 0 1 N N N 4.163   2.186  -2.731 -8.495  -0.578 1.411  DVA 4  H    polymer     1 1 Y Y N 148 
PRD_002560 H28  H28  H 0 1 N N N 3.190   -0.016 -1.124 -7.303  -1.273 -1.162 DVA 4  HA   polymer     1 1 Y N N 149 
PRD_002560 H29  H29  H 0 1 N N N 4.295   0.108  -3.906 -7.266  -3.189 1.212  DVA 4  HB   polymer     1 1 N N N 150 
PRD_002560 H30  H30  H 0 0 N N N 6.050   -1.232 -2.722 -8.309  -3.471 -1.643 DVA 4  HG11 polymer     1 1 N N N 151 
PRD_002560 H31  H31  H 0 0 N N N 5.717   0.375  -1.991 -8.308  -4.752 -0.407 DVA 4  HG12 polymer     1 1 N N N 152 
PRD_002560 H32  H32  H 0 0 N N N 5.063   -1.113 -1.225 -9.313  -3.300 -0.183 DVA 4  HG13 polymer     1 1 N N N 153 
PRD_002560 H33  H33  H 0 0 N N N 4.328   -2.320 -4.158 -5.057  -3.112 0.187  DVA 4  HG21 polymer     1 1 N N N 154 
PRD_002560 H34  H34  H 0 0 N N N 3.271   -2.497 -2.717 -5.872  -4.600 -0.351 DVA 4  HG22 polymer     1 1 N N N 155 
PRD_002560 H35  H35  H 0 0 N N N 2.649   -1.682 -4.191 -5.766  -3.200 -1.443 DVA 4  HG23 polymer     1 1 N N N 156 
PRD_002560 H36  H36  H 0 1 N N N 1.659   1.814  -3.832 -4.785  -1.387 -0.882 DLE 5  H    polymer     1 1 Y Y N 157 
PRD_002560 H37  H37  H 0 1 N N N -0.410  -0.159 -4.178 -3.846  -0.411 1.719  DLE 5  HA   polymer     1 1 Y N N 158 
PRD_002560 H38  H38  H 0 1 N N N -0.176  2.807  -4.999 -4.251  1.704  0.653  DLE 5  HB2  polymer     1 1 N N N 159 
PRD_002560 H39  H39  H 0 1 N N N 0.154   1.364  -6.017 -2.502  1.408  0.508  DLE 5  HB3  polymer     1 1 N N N 160 
PRD_002560 H40  H40  H 0 1 N N N -2.460  0.924  -5.138 -4.497  0.632  -1.658 DLE 5  HG   polymer     1 1 N N N 161 
PRD_002560 H41  H41  H 0 0 N N N -3.632  3.059  -5.681 -2.797  3.156  -1.418 DLE 5  HD11 polymer     1 1 N N N 162 
PRD_002560 H42  H42  H 0 0 N N N -2.530  3.326  -4.288 -3.771  2.691  -2.833 DLE 5  HD12 polymer     1 1 N N N 163 
PRD_002560 H43  H43  H 0 0 N N N -2.056  3.884  -5.928 -4.571  3.083  -1.292 DLE 5  HD13 polymer     1 1 N N N 164 
PRD_002560 H44  H44  H 0 0 N N N -3.065  1.627  -7.416 -2.432  0.612  -3.052 DLE 5  HD21 polymer     1 1 N N N 165 
PRD_002560 H45  H45  H 0 0 N N N -1.514  2.520  -7.572 -1.471  1.028  -1.612 DLE 5  HD22 polymer     1 1 N N N 166 
PRD_002560 H46  H46  H 0 0 N N N -1.510  0.727  -7.462 -2.322  -0.534 -1.694 DLE 5  HD23 polymer     1 1 N N N 167 
PRD_002560 H47  H47  H 0 1 N N N -0.065  2.636  -1.847 -1.178  -0.069 1.315  DGN 6  H    polymer     1 1 Y Y N 168 
PRD_002560 H48  H48  H 0 1 N N N -2.812  2.668  -0.951 -0.200  -2.011 -0.634 DGN 6  HA   polymer     1 1 Y N N 169 
PRD_002560 H49  H49  H 0 1 N N N -0.345  3.420  0.731  0.961   -3.360 1.140  DGN 6  HB2  polymer     1 1 N N N 170 
PRD_002560 H50  H50  H 0 1 N N N -1.007  4.490  -0.550 0.055   -2.453 2.375  DGN 6  HB3  polymer     1 1 N N N 171 
PRD_002560 H51  H51  H 0 1 N N N -3.072  4.797  0.651  -2.079  -3.223 1.373  DGN 6  HG2  polymer     1 1 N N N 172 
PRD_002560 H52  H52  H 0 1 N N N -2.660  3.499  1.823  -1.173  -4.130 0.139  DGN 6  HG3  polymer     1 1 N N N 173 
PRD_002560 H53  H53  H 0 0 N N N -0.949  7.305  2.102  -2.730  -5.833 1.530  DGN 6  HE21 polymer     1 1 N N N 174 
PRD_002560 H54  H54  H 0 0 N N N -1.433  6.665  0.567  -1.888  -6.638 2.741  DGN 6  HE22 polymer     1 1 N N N 175 
PRD_002560 H55  H55  H 0 1 N N N 0.043   0.689  0.037  2.427   -2.228 -0.072 DVA 7  H    polymer     1 1 Y Y N 176 
PRD_002560 H56  H56  H 0 1 N N N -1.186  -0.499 2.366  3.436   0.246  1.107  DVA 7  HA   polymer     1 1 Y N N 177 
PRD_002560 H57  H57  H 0 1 N N N 1.238   -1.172 0.600  4.671   0.862  -0.992 DVA 7  HB   polymer     1 1 N N N 178 
PRD_002560 H58  H58  H 0 0 N N N 2.652   -0.592 2.513  2.828   -1.233 -2.229 DVA 7  HG11 polymer     1 1 N N N 179 
PRD_002560 H59  H59  H 0 0 N N N 1.650   0.803  1.987  3.897   -0.131 -3.129 DVA 7  HG12 polymer     1 1 N N N 180 
PRD_002560 H60  H60  H 0 0 N N N 1.197   -0.125 3.456  4.594   -1.373 -2.062 DVA 7  HG13 polymer     1 1 N N N 181 
PRD_002560 H61  H61  H 0 0 N N N 1.951   -2.838 2.362  1.632   0.729  -1.247 DVA 7  HG21 polymer     1 1 N N N 182 
PRD_002560 H62  H62  H 0 0 N N N 0.376   -2.602 3.193  2.547   1.987  -0.380 DVA 7  HG22 polymer     1 1 N N N 183 
PRD_002560 H63  H63  H 0 0 N N N 0.423   -3.306 1.540  2.702   1.831  -2.147 DVA 7  HG23 polymer     1 1 N N N 184 
PRD_002560 H64  H64  H 0 1 N N N -0.830  -1.440 -1.159 6.078   0.187  0.577  DLE 8  H    polymer     1 1 Y Y N 185 
PRD_002560 H65  H65  H 0 1 N N N -1.993  -4.065 -0.944 7.024   -2.567 0.360  DLE 8  HA   polymer     1 1 Y N N 186 
PRD_002560 H66  H66  H 0 1 N N N -2.305  -3.668 -3.489 8.202   -2.445 2.576  DLE 8  HB2  polymer     1 1 N N N 187 
PRD_002560 H67  H67  H 0 1 N N N -1.520  -2.072 -3.236 7.315   -0.943 2.926  DLE 8  HB3  polymer     1 1 N N N 188 
PRD_002560 H68  H68  H 0 1 N N N 0.382   -3.445 -2.077 5.161   -2.196 2.605  DLE 8  HG   polymer     1 1 N N N 189 
PRD_002560 H69  H69  H 0 0 N N N 0.628   -5.788 -2.983 5.257   -4.674 2.553  DLE 8  HD11 polymer     1 1 N N N 190 
PRD_002560 H70  H70  H 0 0 N N N -0.883  -5.669 -2.019 6.059   -3.974 1.127  DLE 8  HD12 polymer     1 1 N N N 191 
PRD_002560 H71  H71  H 0 0 N N N -0.958  -5.650 -3.814 7.034   -4.603 2.476  DLE 8  HD13 polymer     1 1 N N N 192 
PRD_002560 H72  H72  H 0 0 N N N 1.413   -3.858 -4.310 6.139   -1.890 4.863  DLE 8  HD21 polymer     1 1 N N N 193 
PRD_002560 H73  H73  H 0 0 N N N -0.202  -3.735 -5.086 5.304   -3.457 4.735  DLE 8  HD22 polymer     1 1 N N N 194 
PRD_002560 H74  H74  H 0 0 N N N 0.534   -2.292 -4.308 7.081   -3.387 4.658  DLE 8  HD23 polymer     1 1 N N N 195 
PRD_002560 H75  H75  H 0 1 N N N -3.338  -0.636 -1.747 9.657   -2.394 0.909  DGN 9  H    polymer     1 1 Y Y N 196 
PRD_002560 H76  H76  H 0 1 N N N -6.051  -1.300 -1.805 10.690  0.238  0.181  DGN 9  HA   polymer     1 1 Y N N 197 
PRD_002560 H77  H77  H 0 1 N N N -4.655  1.197  -0.673 11.842  -0.582 -1.845 DGN 9  HB2  polymer     1 1 N N N 198 
PRD_002560 H78  H78  H 0 1 N N N -5.064  0.921  -2.400 11.084  -2.180 -1.640 DGN 9  HB3  polymer     1 1 N N N 199 
PRD_002560 H79  H79  H 0 1 N N N -7.519  0.711  -1.671 8.842   -1.145 -1.865 DGN 9  HG2  polymer     1 1 N N N 200 
PRD_002560 H80  H80  H 0 1 N N N -7.004  1.281  -0.047 9.599   0.452  -2.070 DGN 9  HG3  polymer     1 1 N N N 201 
PRD_002560 H81  H81  H 0 0 N N N -7.682  4.654  -1.311 8.111   -0.113 -4.244 DGN 9  HE21 polymer     1 1 N N N 202 
PRD_002560 H82  H82  H 0 0 N N N -8.501  3.333  -0.548 9.028   -0.712 -5.518 DGN 9  HE22 polymer     1 1 N N N 203 
PRD_002560 H83  H83  H 0 1 N N N -3.857  -0.668 1.091  13.285  -0.005 -0.007 DSN 10 H    polymer     1 1 Y Y N 204 
PRD_002560 H84  H84  H 0 1 N N N -5.935  -0.549 2.957  14.258  -2.450 1.285  DSN 10 HA   polymer     1 1 Y N N 205 
PRD_002560 H85  H85  H 0 1 N N N -2.972  -1.171 3.349  14.184  -1.405 3.321  DSN 10 HB2  polymer     1 1 N N N 206 
PRD_002560 H86  H86  H 0 1 N N N -3.818  0.401  3.548  15.671  -0.618 2.739  DSN 10 HB3  polymer     1 1 N N N 207 
PRD_002560 H87  H87  H 0 1 N N N -3.650  -3.304 2.580  16.708  -2.686 1.032  VAL 11 H    polymer     1 1 Y Y N 208 
PRD_002560 H88  H88  H 0 1 N N N -5.596  -5.371 2.903  18.583  -2.363 -0.402 VAL 11 HA   polymer     1 1 Y N N 209 
PRD_002560 H89  H89  H 0 1 N N N -3.777  -6.922 3.178  18.101  -1.858 -2.651 VAL 11 HB   polymer     1 1 N N N 210 
PRD_002560 H90  H90  H 0 0 N N N -2.431  -6.562 1.081  15.423  -2.671 -1.432 VAL 11 HG11 polymer     1 1 N N N 211 
PRD_002560 H91  H91  H 0 0 N N N -4.188  -6.272 0.839  15.892  -2.876 -3.137 VAL 11 HG12 polymer     1 1 N N N 212 
PRD_002560 H92  H92  H 0 0 N N N -3.060  -4.882 0.986  16.747  -3.780 -1.864 VAL 11 HG13 polymer     1 1 N N N 213 
PRD_002560 H93  H93  H 0 0 N N N -1.420  -6.347 3.109  15.503  -0.471 -2.191 VAL 11 HG21 polymer     1 1 N N N 214 
PRD_002560 H94  H94  H 0 0 N N N -1.838  -4.610 3.300  16.952  0.417  -1.661 VAL 11 HG22 polymer     1 1 N N N 215 
PRD_002560 H95  H95  H 0 0 N N N -2.219  -5.776 4.613  16.800  -0.107 -3.355 VAL 11 HG23 polymer     1 1 N N N 216 
PRD_002560 H96  H96  H 0 1 N N N -5.726  -6.857 4.759  18.623  0.245  -2.195 LEU 12 H    polymer     1 1 Y Y N 217 
PRD_002560 H97  H97  H 0 1 N N N -6.571  -7.170 6.798  19.884  1.775  -0.051 LEU 12 HA   polymer     1 1 Y N N 218 
PRD_002560 H98  H98  H 0 1 N N N -4.180  -5.666 7.802  19.360  2.460  -2.979 LEU 12 HB2  polymer     1 1 N N N 219 
PRD_002560 H99  H99  H 0 1 N N N -5.279  -6.729 8.745  20.317  3.463  -1.862 LEU 12 HB3  polymer     1 1 N N N 220 
PRD_002560 H100 H100 H 0 1 N N N -3.878  -7.946 6.366  20.920  0.545  -2.519 LEU 12 HG   polymer     1 1 N N N 221 
PRD_002560 H101 H101 H 0 0 N N N -1.883  -8.257 7.783  22.249  3.118  -3.483 LEU 12 HD11 polymer     1 1 N N N 222 
PRD_002560 H102 H102 H 0 0 N N N -2.209  -6.518 7.474  22.815  1.466  -3.826 LEU 12 HD12 polymer     1 1 N N N 223 
PRD_002560 H103 H103 H 0 0 N N N -2.643  -7.246 9.058  21.256  2.026  -4.479 LEU 12 HD13 polymer     1 1 N N N 224 
PRD_002560 H104 H104 H 0 0 N N N -3.795  -9.857 7.950  22.498  2.694  -1.034 LEU 12 HD21 polymer     1 1 N N N 225 
PRD_002560 H105 H105 H 0 0 N N N -4.449  -8.809 9.254  21.683  1.301  -0.284 LEU 12 HD22 polymer     1 1 N N N 226 
PRD_002560 H106 H106 H 0 0 N N N -5.465  -9.208 7.828  23.064  1.042  -1.377 LEU 12 HD23 polymer     1 1 N N N 227 
PRD_002560 H107 H107 H 0 1 N N N -7.919  -5.094 5.556  19.129  3.903  0.803  SER 13 H    polymer     1 1 Y Y N 228 
PRD_002560 H108 H108 H 0 1 N N N -8.970  -3.052 5.744  17.378  5.495  1.192  SER 13 HA   polymer     1 1 Y N N 229 
PRD_002560 H109 H109 H 0 1 N N N -9.431  -3.988 8.574  16.043  4.125  -1.188 SER 13 HB2  polymer     1 1 N N N 230 
PRD_002560 H110 H110 H 0 1 N N N -10.376 -2.749 7.680  15.596  5.694  -0.478 SER 13 HB3  polymer     1 1 N N N 231 
PRD_002560 H111 H111 H 0 1 N N N -11.330 -4.911 7.498  17.032  5.950  -2.369 SER 13 HG   polymer     1 1 N N N 232 
PRD_002560 H112 H112 H 0 1 N N N -6.073  -2.721 6.076  14.434  4.390  0.456  ILE 14 H    polymer     1 1 Y Y N 233 
PRD_002560 H113 H113 H 0 1 N N N -5.989  -0.130 7.626  13.856  3.312  2.983  ILE 14 HA   polymer     1 1 Y N N 234 
PRD_002560 H114 H114 H 0 1 N N N -3.684  -2.121 7.393  12.066  3.846  1.378  ILE 14 HB   polymer     1 1 N N N 235 
PRD_002560 H115 H115 H 0 0 N N N -4.952  -1.321 10.013 11.926  0.848  1.810  ILE 14 HG12 polymer     1 1 N N N 236 
PRD_002560 H116 H116 H 0 0 N N N -5.689  -2.613 9.006  11.864  1.974  3.186  ILE 14 HG13 polymer     1 1 N N N 237 
PRD_002560 H117 H117 H 0 0 N N N -2.446  -0.705 9.046  11.658  2.407  -0.577 ILE 14 HG21 polymer     1 1 N N N 238 
PRD_002560 H118 H118 H 0 0 N N N -2.762  0.179  7.515  13.300  3.090  -0.660 ILE 14 HG22 polymer     1 1 N N N 239 
PRD_002560 H119 H119 H 0 0 N N N -3.755  0.523  8.972  13.064  1.401  -0.152 ILE 14 HG23 polymer     1 1 N N N 240 
PRD_002560 H120 H120 H 0 0 N N N -4.353  -3.562 10.847 9.903   3.077  2.285  ILE 14 HD11 polymer     1 1 N N N 241 
PRD_002560 H121 H121 H 0 0 N N N -3.632  -3.982 9.256  10.034  2.174  0.757  ILE 14 HD12 polymer     1 1 N N N 242 
PRD_002560 H122 H122 H 0 0 N N N -2.895  -2.690 10.263 9.592   1.325  2.257  ILE 14 HD13 polymer     1 1 N N N 243 
PRD_002560 H123 H123 H 0 1 N N N 8.433   5.203  -4.992 -20.871 2.334  -1.503 IG8 15 HA1  non-polymer 2 2 N N N 244 
PRD_002560 H124 H124 H 0 1 N N N 7.222   6.228  -4.149 -21.760 0.795  -1.589 IG8 15 HA2  non-polymer 2 2 N N N 245 
PRD_002560 H125 H125 H 0 1 N N N 7.691   4.980  -1.984 -21.861 2.724  0.773  IG8 15 HB   non-polymer 2 2 N N N 246 
PRD_002560 H126 H126 H 0 0 N N N 8.473   2.858  -3.252 -22.894 3.634  -1.329 IG8 15 HG21 non-polymer 2 2 N N N 247 
PRD_002560 H127 H127 H 0 0 N N N 9.968   3.769  -3.655 -23.934 2.191  -1.402 IG8 15 HG22 non-polymer 2 2 N N N 248 
PRD_002560 H128 H128 H 0 1 N N N 9.873   5.970  -2.054 -23.431 0.364  0.143  IG8 15 HG1  non-polymer 2 2 N N N 249 
PRD_002560 H129 H129 H 0 1 N N N 10.721  3.778  -1.416 -24.865 2.749  0.827  IG8 15 HD1  non-polymer 2 2 N N N 250 
PRD_002560 H130 H130 H 0 1 N N N 9.093   3.382  -0.767 -23.826 4.192  0.900  IG8 15 HD2  non-polymer 2 2 N N N 251 
PRD_002560 H131 H131 H 0 1 N N N 10.562  1.515  -0.397 -24.920 5.084  -1.138 IG8 15 HE1  non-polymer 2 2 N N N 252 
PRD_002560 H132 H132 H 0 1 N N N 9.327   1.066  -1.621 -25.959 3.641  -1.211 IG8 15 HE2  non-polymer 2 2 N N N 253 
PRD_002560 H133 H133 H 0 1 N N N 11.248  -0.038 -2.216 -26.891 4.199  1.018  IG8 15 HZ1  non-polymer 2 2 N N N 254 
PRD_002560 H134 H134 H 0 1 N N N 11.104  1.348  -3.350 -25.851 5.642  1.091  IG8 15 HZ2  non-polymer 2 2 N N N 255 
PRD_002560 H135 H135 H 0 1 N N N 12.925  2.481  -2.370 -26.945 6.534  -0.948 IG8 15 HH1  non-polymer 2 2 N N N 256 
PRD_002560 H136 H136 H 0 1 N N N 12.925  1.408  -0.930 -27.985 5.091  -1.021 IG8 15 HH2  non-polymer 2 2 N N N 257 
PRD_002560 H137 H137 H 0 1 N N N 14.696  -0.184 -4.546 -28.971 7.984  -0.758 IG8 15 HI2  non-polymer 2 2 N N N 258 
PRD_002560 H138 H138 H 0 1 N N N 12.905  -0.087 -4.441 -30.011 6.541  -0.831 IG8 15 HI3  non-polymer 2 2 N N N 259 
PRD_002560 H139 H139 H 0 1 N N N 13.873  1.408  -4.676 -30.165 7.681  0.527  IG8 15 HI1  non-polymer 2 2 N N N 260 
PRD_002560 H140 H140 H 0 1 N N N 14.901  1.096  -2.424 -28.917 5.650  1.208  IG8 15 HT1  non-polymer 2 2 N N N 261 
PRD_002560 H141 H141 H 0 1 N N N 13.934  -0.399 -2.189 -27.877 7.092  1.281  IG8 15 HT2  non-polymer 2 2 N N N 262 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
PRD_002560 N1  C1   SING N N 1   
PRD_002560 N1  H1   SING N N 2   
PRD_002560 C1  C2   SING N N 3   
PRD_002560 C1  C3   SING N N 4   
PRD_002560 C1  H2   SING N N 5   
PRD_002560 C2  O1   DOUB N N 6   
PRD_002560 C3  C4   SING N N 7   
PRD_002560 C3  H3   SING N N 8   
PRD_002560 C3  H4   SING N N 9   
PRD_002560 C4  C5   SING N N 10  
PRD_002560 C4  C6   SING N N 11  
PRD_002560 C4  H5   SING N N 12  
PRD_002560 C5  H6   SING N N 13  
PRD_002560 C5  H7   SING N N 14  
PRD_002560 C5  H8   SING N N 15  
PRD_002560 C6  H9   SING N N 16  
PRD_002560 C6  H10  SING N N 17  
PRD_002560 C6  H11  SING N N 18  
PRD_002560 N2  C7   SING N N 19  
PRD_002560 N2  H12  SING N N 20  
PRD_002560 C7  C8   SING N N 21  
PRD_002560 C7  C9   SING N N 22  
PRD_002560 C7  H13  SING N N 23  
PRD_002560 C8  O2   DOUB N N 24  
PRD_002560 C9  C10  SING N N 25  
PRD_002560 C9  H14  SING N N 26  
PRD_002560 C9  H15  SING N N 27  
PRD_002560 C10 C11  SING N N 28  
PRD_002560 C10 H16  SING N N 29  
PRD_002560 C10 H17  SING N N 30  
PRD_002560 C11 O3   DOUB N N 31  
PRD_002560 C11 O4   SING N N 32  
PRD_002560 O4  H18  SING N N 33  
PRD_002560 N3  C12  SING N N 34  
PRD_002560 N3  H19  SING N N 35  
PRD_002560 C12 C13  SING N N 36  
PRD_002560 C12 C14  SING N N 37  
PRD_002560 C12 H20  SING N N 38  
PRD_002560 C13 O5   DOUB N N 39  
PRD_002560 C14 C15  SING N N 40  
PRD_002560 C14 H21  SING N N 41  
PRD_002560 C14 H22  SING N N 42  
PRD_002560 C15 C16  SING N N 43  
PRD_002560 C15 H23  SING N N 44  
PRD_002560 C15 H24  SING N N 45  
PRD_002560 C16 O6   DOUB N N 46  
PRD_002560 C16 N4   SING N N 47  
PRD_002560 N4  H25  SING N N 48  
PRD_002560 N4  H26  SING N N 49  
PRD_002560 N5  C17  SING N N 50  
PRD_002560 N5  H27  SING N N 51  
PRD_002560 C17 C18  SING N N 52  
PRD_002560 C17 C21  SING N N 53  
PRD_002560 C17 H28  SING N N 54  
PRD_002560 C18 C19  SING N N 55  
PRD_002560 C18 C20  SING N N 56  
PRD_002560 C18 H29  SING N N 57  
PRD_002560 C19 H30  SING N N 58  
PRD_002560 C19 H31  SING N N 59  
PRD_002560 C19 H32  SING N N 60  
PRD_002560 C20 H33  SING N N 61  
PRD_002560 C20 H34  SING N N 62  
PRD_002560 C20 H35  SING N N 63  
PRD_002560 C21 O7   DOUB N N 64  
PRD_002560 N6  C22  SING N N 65  
PRD_002560 N6  H36  SING N N 66  
PRD_002560 C22 C23  SING N N 67  
PRD_002560 C22 C27  SING N N 68  
PRD_002560 C22 H37  SING N N 69  
PRD_002560 C23 C24  SING N N 70  
PRD_002560 C23 H38  SING N N 71  
PRD_002560 C23 H39  SING N N 72  
PRD_002560 C24 C25  SING N N 73  
PRD_002560 C24 C26  SING N N 74  
PRD_002560 C24 H40  SING N N 75  
PRD_002560 C25 H41  SING N N 76  
PRD_002560 C25 H42  SING N N 77  
PRD_002560 C25 H43  SING N N 78  
PRD_002560 C26 H44  SING N N 79  
PRD_002560 C26 H45  SING N N 80  
PRD_002560 C26 H46  SING N N 81  
PRD_002560 C27 O8   DOUB N N 82  
PRD_002560 N7  C28  SING N N 83  
PRD_002560 N7  H47  SING N N 84  
PRD_002560 C28 C29  SING N N 85  
PRD_002560 C28 C30  SING N N 86  
PRD_002560 C28 H48  SING N N 87  
PRD_002560 C29 O9   DOUB N N 88  
PRD_002560 C30 C31  SING N N 89  
PRD_002560 C30 H49  SING N N 90  
PRD_002560 C30 H50  SING N N 91  
PRD_002560 C31 C32  SING N N 92  
PRD_002560 C31 H51  SING N N 93  
PRD_002560 C31 H52  SING N N 94  
PRD_002560 C32 O10  DOUB N N 95  
PRD_002560 C32 N8   SING N N 96  
PRD_002560 N8  H53  SING N N 97  
PRD_002560 N8  H54  SING N N 98  
PRD_002560 N9  C33  SING N N 99  
PRD_002560 N9  H55  SING N N 100 
PRD_002560 C33 C34  SING N N 101 
PRD_002560 C33 C37  SING N N 102 
PRD_002560 C33 H56  SING N N 103 
PRD_002560 C34 C35  SING N N 104 
PRD_002560 C34 C36  SING N N 105 
PRD_002560 C34 H57  SING N N 106 
PRD_002560 C35 H58  SING N N 107 
PRD_002560 C35 H59  SING N N 108 
PRD_002560 C35 H60  SING N N 109 
PRD_002560 C36 H61  SING N N 110 
PRD_002560 C36 H62  SING N N 111 
PRD_002560 C36 H63  SING N N 112 
PRD_002560 C37 O11  DOUB N N 113 
PRD_002560 N10 C38  SING N N 114 
PRD_002560 N10 H64  SING N N 115 
PRD_002560 C38 C39  SING N N 116 
PRD_002560 C38 C43  SING N N 117 
PRD_002560 C38 H65  SING N N 118 
PRD_002560 C39 C40  SING N N 119 
PRD_002560 C39 H66  SING N N 120 
PRD_002560 C39 H67  SING N N 121 
PRD_002560 C40 C41  SING N N 122 
PRD_002560 C40 C42  SING N N 123 
PRD_002560 C40 H68  SING N N 124 
PRD_002560 C41 H69  SING N N 125 
PRD_002560 C41 H70  SING N N 126 
PRD_002560 C41 H71  SING N N 127 
PRD_002560 C42 H72  SING N N 128 
PRD_002560 C42 H73  SING N N 129 
PRD_002560 C42 H74  SING N N 130 
PRD_002560 C43 O12  DOUB N N 131 
PRD_002560 N11 C44  SING N N 132 
PRD_002560 N11 H75  SING N N 133 
PRD_002560 C44 C45  SING N N 134 
PRD_002560 C44 C46  SING N N 135 
PRD_002560 C44 H76  SING N N 136 
PRD_002560 C45 O13  DOUB N N 137 
PRD_002560 C46 C47  SING N N 138 
PRD_002560 C46 H77  SING N N 139 
PRD_002560 C46 H78  SING N N 140 
PRD_002560 C47 C48  SING N N 141 
PRD_002560 C47 H79  SING N N 142 
PRD_002560 C47 H80  SING N N 143 
PRD_002560 C48 O14  DOUB N N 144 
PRD_002560 C48 N12  SING N N 145 
PRD_002560 N12 H81  SING N N 146 
PRD_002560 N12 H82  SING N N 147 
PRD_002560 N13 C49  SING N N 148 
PRD_002560 N13 H83  SING N N 149 
PRD_002560 C49 C50  SING N N 150 
PRD_002560 C49 C51  SING N N 151 
PRD_002560 C49 H84  SING N N 152 
PRD_002560 C50 O15  DOUB N N 153 
PRD_002560 C51 O16  SING N N 154 
PRD_002560 C51 H85  SING N N 155 
PRD_002560 C51 H86  SING N N 156 
PRD_002560 N14 C52  SING N N 157 
PRD_002560 N14 H87  SING N N 158 
PRD_002560 C52 C53  SING N N 159 
PRD_002560 C52 C54  SING N N 160 
PRD_002560 C52 H88  SING N N 161 
PRD_002560 C53 O17  DOUB N N 162 
PRD_002560 C54 C55  SING N N 163 
PRD_002560 C54 C56  SING N N 164 
PRD_002560 C54 H89  SING N N 165 
PRD_002560 C55 H90  SING N N 166 
PRD_002560 C55 H91  SING N N 167 
PRD_002560 C55 H92  SING N N 168 
PRD_002560 C56 H93  SING N N 169 
PRD_002560 C56 H94  SING N N 170 
PRD_002560 C56 H95  SING N N 171 
PRD_002560 N15 C57  SING N N 172 
PRD_002560 N15 H96  SING N N 173 
PRD_002560 C57 C58  SING N N 174 
PRD_002560 C57 C59  SING N N 175 
PRD_002560 C57 H97  SING N N 176 
PRD_002560 C58 O18  DOUB N N 177 
PRD_002560 C59 C60  SING N N 178 
PRD_002560 C59 H98  SING N N 179 
PRD_002560 C59 H99  SING N N 180 
PRD_002560 C60 C61  SING N N 181 
PRD_002560 C60 C62  SING N N 182 
PRD_002560 C60 H100 SING N N 183 
PRD_002560 C61 H101 SING N N 184 
PRD_002560 C61 H102 SING N N 185 
PRD_002560 C61 H103 SING N N 186 
PRD_002560 C62 H104 SING N N 187 
PRD_002560 C62 H105 SING N N 188 
PRD_002560 C62 H106 SING N N 189 
PRD_002560 N16 C63  SING N N 190 
PRD_002560 N16 H107 SING N N 191 
PRD_002560 C63 C64  SING N N 192 
PRD_002560 C63 C65  SING N N 193 
PRD_002560 C63 H108 SING N N 194 
PRD_002560 C64 O19  DOUB N N 195 
PRD_002560 C65 O20  SING N N 196 
PRD_002560 C65 H109 SING N N 197 
PRD_002560 C65 H110 SING N N 198 
PRD_002560 O20 H111 SING N N 199 
PRD_002560 N17 C66  SING N N 200 
PRD_002560 N17 H112 SING N N 201 
PRD_002560 C66 C67  SING N N 202 
PRD_002560 C66 C68  SING N N 203 
PRD_002560 C66 H113 SING N N 204 
PRD_002560 C67 O21  DOUB N N 205 
PRD_002560 C68 C69  SING N N 206 
PRD_002560 C68 C70  SING N N 207 
PRD_002560 C68 H114 SING N N 208 
PRD_002560 C69 C71  SING N N 209 
PRD_002560 C69 H115 SING N N 210 
PRD_002560 C69 H116 SING N N 211 
PRD_002560 C70 H117 SING N N 212 
PRD_002560 C70 H118 SING N N 213 
PRD_002560 C70 H119 SING N N 214 
PRD_002560 C71 H120 SING N N 215 
PRD_002560 C71 H121 SING N N 216 
PRD_002560 C71 H122 SING N N 217 
PRD_002560 O23 C74  SING N N 218 
PRD_002560 C73 C72  SING N N 219 
PRD_002560 C73 O22  DOUB N N 220 
PRD_002560 C72 C74  SING N N 221 
PRD_002560 C74 C75  SING N N 222 
PRD_002560 C75 C76  SING N N 223 
PRD_002560 C76 C77  SING N N 224 
PRD_002560 C77 C78  SING N N 225 
PRD_002560 C78 C79  SING N N 226 
PRD_002560 C79 C81  SING N N 227 
PRD_002560 C81 C80  SING N N 228 
PRD_002560 C72 H123 SING N N 229 
PRD_002560 C72 H124 SING N N 230 
PRD_002560 C74 H125 SING N N 231 
PRD_002560 C75 H126 SING N N 232 
PRD_002560 C75 H127 SING N N 233 
PRD_002560 O23 H128 SING N N 234 
PRD_002560 C76 H129 SING N N 235 
PRD_002560 C76 H130 SING N N 236 
PRD_002560 C77 H131 SING N N 237 
PRD_002560 C77 H132 SING N N 238 
PRD_002560 C78 H133 SING N N 239 
PRD_002560 C78 H134 SING N N 240 
PRD_002560 C79 H135 SING N N 241 
PRD_002560 C79 H136 SING N N 242 
PRD_002560 C80 H137 SING N N 243 
PRD_002560 C80 H138 SING N N 244 
PRD_002560 C80 H139 SING N N 245 
PRD_002560 C81 H140 SING N N 246 
PRD_002560 C81 H141 SING N N 247 
PRD_002560 C2  N2   SING N N 248 
PRD_002560 C8  N3   SING N N 249 
PRD_002560 C13 N5   SING N N 250 
PRD_002560 C21 N6   SING N N 251 
PRD_002560 C27 N7   SING N N 252 
PRD_002560 C29 N9   SING N N 253 
PRD_002560 C37 N10  SING N N 254 
PRD_002560 C43 N11  SING N N 255 
PRD_002560 C45 N13  SING N N 256 
PRD_002560 C50 N14  SING N N 257 
PRD_002560 O16 C67  SING N N 258 
PRD_002560 C53 N15  SING N N 259 
PRD_002560 C58 N16  SING N N 260 
PRD_002560 C64 N17  SING N N 261 
PRD_002560 N1  C73  SING N N 262 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
PRD_002560 SMILES_CANONICAL CACTVS               3.385 "CCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1COC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)CC"  
PRD_002560 SMILES           CACTVS               3.385 "CCCCCCC[CH](O)CC(=O)N[CH](CC(C)C)C(=O)N[CH](CCC(O)=O)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](C(C)C)C(=O)N[CH](CC(C)C)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](C(C)C)C(=O)N[CH](CC(C)C)C(=O)N[CH](CCC(N)=O)C(=O)N[CH]1COC(=O)[CH](NC(=O)[CH](CO)NC(=O)[CH](CC(C)C)NC(=O)[CH](NC1=O)C(C)C)[CH](C)CC"                        
PRD_002560 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCC[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)CC(C)C)CO)[C@@H](C)CC)O" 
PRD_002560 SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCC(CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC1COC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)C)CC(C)C)CO)C(C)CC)O"                                                                        
# 
_pdbx_chem_comp_identifier.comp_id           PRD_002560 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "(4~{R})-5-[[(2~{R})-5-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-5-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-5-azanyl-1-[[(3~{S},6~{S},9~{S},12~{S},15~{R})-3-[(2~{S})-butan-2-yl]-6-(hydroxymethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentakis(oxidanylidene)-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-[[(2~{S})-4-methyl-2-[[(3~{R})-3-oxidanyldecanoyl]amino]pentanoyl]amino]-5-oxidanylidene-pentanoic acid" 
# 
