data_PRDCC_000734
# 
_chem_comp.id                                    PRD_000734 
_chem_comp.name                                  "ALL-D KALATA B1" 
_chem_comp.formula                               "C117 H180 N35 O39 S6" 
_chem_comp.formula_weight                        2893.282 
_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_ordinal 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
PRD_000734 N1   N1   N 0 1 N N N -4.223  2.263  -4.889 -4.223  2.263  -4.889 DCY 1  N    polymer 1 1 1   ? ? ? 
PRD_000734 C1   C1   C 0 1 N N S -4.493  0.860  -4.618 -4.493  0.860  -4.618 DCY 1  CA   polymer 1 1 2   ? ? ? 
PRD_000734 C2   C2   C 0 1 N N N -3.953  -0.011 -5.741 -3.953  -0.011 -5.741 DCY 1  C    polymer 1 1 3   ? ? ? 
PRD_000734 O1   O1   O 0 1 N N N -4.466  -1.095 -6.006 -4.466  -1.095 -6.006 DCY 1  O    polymer 1 1 4   ? ? ? 
PRD_000734 C3   C3   C 0 1 N N N -3.859  0.446  -3.288 -3.859  0.446  -3.288 DCY 1  CB   polymer 1 1 5   ? ? ? 
PRD_000734 S1   S1   S 0 1 N N N -4.371  1.472  -1.875 -4.371  1.472  -1.875 DCY 1  SG   polymer 1 1 6   ? ? ? 
PRD_000734 N2   N2   N 0 1 N N N -2.901  0.469  -6.398 -2.901  0.469  -6.398 GLY 2  N    polymer 1 1 7   ? ? ? 
PRD_000734 C4   C4   C 0 1 N N N -2.295  -0.284 -7.482 -2.295  -0.284 -7.482 GLY 2  CA   polymer 1 1 8   ? ? ? 
PRD_000734 C5   C5   C 0 1 N N N -1.382  -1.372 -6.959 -1.382  -1.372 -6.959 GLY 2  C    polymer 1 1 9   ? ? ? 
PRD_000734 O2   O2   O 0 1 N N N -0.709  -2.060 -7.723 -0.709  -2.060 -7.723 GLY 2  O    polymer 1 1 10  ? ? ? 
PRD_000734 N3   N3   N 0 1 N N N -1.365  -1.515 -5.644 -1.365  -1.515 -5.644 DGL 3  N    polymer 1 1 11  ? ? ? 
PRD_000734 C6   C6   C 0 1 N N R -0.546  -2.507 -4.983 -0.546  -2.507 -4.983 DGL 3  CA   polymer 1 1 12  ? ? ? 
PRD_000734 C7   C7   C 0 1 N N N 0.830   -1.957 -4.690 0.830   -1.957 -4.690 DGL 3  C    polymer 1 1 13  ? ? ? 
PRD_000734 O3   O3   O 0 1 N N N 1.011   -0.752 -4.514 1.011   -0.752 -4.514 DGL 3  O    polymer 1 1 14  ? ? ? 
PRD_000734 C8   C8   C 0 1 N N N -1.190  -2.926 -3.664 -1.190  -2.926 -3.664 DGL 3  CB   polymer 1 1 15  ? ? ? 
PRD_000734 C9   C9   C 0 1 N N N -2.532  -3.594 -3.825 -2.532  -3.594 -3.825 DGL 3  CG   polymer 1 1 16  ? ? ? 
PRD_000734 C10  C10  C 0 1 N N N -3.471  -3.266 -2.683 -3.471  -3.266 -2.683 DGL 3  CD   polymer 1 1 17  ? ? ? 
PRD_000734 O4   O4   O 0 1 N N N -3.124  -3.563 -1.521 -3.124  -3.563 -1.521 DGL 3  OE1  polymer 1 1 18  ? ? ? 
PRD_000734 O5   O5   O 0 1 N N N -4.549  -2.702 -2.938 -4.549  -2.702 -2.938 DGL 3  OE2  polymer 1 1 19  ? ? ? 
PRD_000734 N4   N4   N 0 1 N N N 1.787   -2.848 -4.608 1.787   -2.848 -4.608 DTH 4  N    polymer 1 1 20  ? ? ? 
PRD_000734 C11  C11  C 0 1 N N R 3.149   -2.477 -4.297 3.149   -2.477 -4.297 DTH 4  CA   polymer 1 1 21  ? ? ? 
PRD_000734 C12  C12  C 0 1 N N S 4.133   -2.868 -5.414 4.133   -2.868 -5.414 DTH 4  CB   polymer 1 1 22  ? ? ? 
PRD_000734 C13  C13  C 0 1 N N N 4.104   -4.366 -5.676 4.104   -4.366 -5.676 DTH 4  CG2  polymer 1 1 23  ? ? ? 
PRD_000734 O6   O6   O 0 1 N N N 3.808   -2.166 -6.619 3.808   -2.166 -6.619 DTH 4  OG1  polymer 1 1 24  ? ? ? 
PRD_000734 C14  C14  C 0 1 N N N 3.578   -3.142 -3.006 3.578   -3.142 -3.006 DTH 4  C    polymer 1 1 25  ? ? ? 
PRD_000734 O7   O7   O 0 1 N N N 3.054   -4.192 -2.638 3.054   -4.192 -2.638 DTH 4  O    polymer 1 1 26  ? ? ? 
PRD_000734 N5   N5   N 0 1 N N N 4.532   -2.546 -2.323 4.532   -2.546 -2.323 DCY 5  N    polymer 1 1 27  ? ? ? 
PRD_000734 C15  C15  C 0 1 N N S 5.011   -3.115 -1.084 5.011   -3.115 -1.084 DCY 5  CA   polymer 1 1 28  ? ? ? 
PRD_000734 C16  C16  C 0 1 N N N 6.507   -3.068 -1.012 6.507   -3.068 -1.012 DCY 5  C    polymer 1 1 29  ? ? ? 
PRD_000734 O8   O8   O 0 1 N N N 7.091   -2.539 -0.073 7.091   -2.539 -0.073 DCY 5  O    polymer 1 1 30  ? ? ? 
PRD_000734 C17  C17  C 0 1 N N N 4.399   -2.435 0.129  4.399   -2.435 0.129  DCY 5  CB   polymer 1 1 31  ? ? ? 
PRD_000734 S2   S2   S 0 1 N N N 4.563   -0.624 0.175  4.563   -0.624 0.175  DCY 5  SG   polymer 1 1 32  ? ? ? 
PRD_000734 N6   N6   N 0 1 N N N 7.110   -3.666 -2.009 7.110   -3.666 -2.009 DVA 6  N    polymer 1 1 33  ? ? ? 
PRD_000734 C18  C18  C 0 1 N N R 8.560   -3.757 -2.088 8.560   -3.757 -2.088 DVA 6  CA   polymer 1 1 34  ? ? ? 
PRD_000734 C19  C19  C 0 1 N N N 9.011   -4.513 -3.359 9.011   -4.513 -3.359 DVA 6  CB   polymer 1 1 35  ? ? ? 
PRD_000734 C20  C20  C 0 1 N N N 8.417   -3.868 -4.603 8.417   -3.868 -4.603 DVA 6  CG1  polymer 1 1 36  ? ? ? 
PRD_000734 C21  C21  C 0 1 N N N 10.530  -4.557 -3.454 10.530  -4.557 -3.454 DVA 6  CG2  polymer 1 1 37  ? ? ? 
PRD_000734 C22  C22  C 0 1 N N N 9.069   -4.485 -0.848 9.069   -4.485 -0.848 DVA 6  C    polymer 1 1 38  ? ? ? 
PRD_000734 O9   O9   O 0 1 N N N 10.122  -4.163 -0.299 10.122  -4.163 -0.299 DVA 6  O    polymer 1 1 39  ? ? ? 
PRD_000734 N7   N7   N 0 1 N N N 8.274   -5.452 -0.400 8.274   -5.452 -0.400 GLY 7  N    polymer 1 1 40  ? ? ? 
PRD_000734 C23  C23  C 0 1 N N N 8.603   -6.209 0.789  8.603   -6.209 0.789  GLY 7  CA   polymer 1 1 41  ? ? ? 
PRD_000734 C24  C24  C 0 1 N N N 7.952   -5.623 2.031  7.952   -5.623 2.031  GLY 7  C    polymer 1 1 42  ? ? ? 
PRD_000734 O10  O10  O 0 1 N N N 8.194   -6.091 3.140  8.194   -6.091 3.140  GLY 7  O    polymer 1 1 43  ? ? ? 
PRD_000734 N8   N8   N 0 1 N N N 7.124   -4.592 1.844  7.124   -4.592 1.844  GLY 8  N    polymer 1 1 44  ? ? ? 
PRD_000734 C25  C25  C 0 1 N N N 6.460   -3.962 2.967  6.460   -3.962 2.967  GLY 8  CA   polymer 1 1 45  ? ? ? 
PRD_000734 C26  C26  C 0 1 N N N 5.138   -4.619 3.304  5.138   -4.619 3.304  GLY 8  C    polymer 1 1 46  ? ? ? 
PRD_000734 O11  O11  O 0 1 N N N 4.825   -4.838 4.472  4.825   -4.838 4.472  GLY 8  O    polymer 1 1 47  ? ? ? 
PRD_000734 N9   N9   N 0 1 N N N 4.353   -4.935 2.282  4.353   -4.935 2.282  DTH 9  N    polymer 1 1 48  ? ? ? 
PRD_000734 C27  C27  C 0 1 N N R 3.059   -5.567 2.490  3.059   -5.567 2.490  DTH 9  CA   polymer 1 1 49  ? ? ? 
PRD_000734 C28  C28  C 0 1 N N S 3.195   -7.107 2.558  3.195   -7.107 2.558  DTH 9  CB   polymer 1 1 50  ? ? ? 
PRD_000734 C29  C29  C 0 1 N N N 3.803   -7.668 1.279  3.803   -7.668 1.279  DTH 9  CG2  polymer 1 1 51  ? ? ? 
PRD_000734 O12  O12  O 0 1 N N N 4.017   -7.473 3.673  4.017   -7.473 3.673  DTH 9  OG1  polymer 1 1 52  ? ? ? 
PRD_000734 C30  C30  C 0 1 N N N 2.072   -5.188 1.389  2.072   -5.188 1.389  DTH 9  C    polymer 1 1 53  ? ? ? 
PRD_000734 O13  O13  O 0 1 N N N 2.454   -5.046 0.228  2.454   -5.046 0.228  DTH 9  O    polymer 1 1 54  ? ? ? 
PRD_000734 N10  N10  N 0 1 N N N 0.810   -5.017 1.764  0.810   -5.017 1.764  DCY 10 N    polymer 1 1 55  ? ? ? 
PRD_000734 C31  C31  C 0 1 N N S -0.233  -4.655 0.814  -0.233  -4.655 0.814  DCY 10 CA   polymer 1 1 56  ? ? ? 
PRD_000734 C32  C32  C 0 1 N N N -1.208  -5.814 0.637  -1.208  -5.814 0.637  DCY 10 C    polymer 1 1 57  ? ? ? 
PRD_000734 O14  O14  O 0 1 N N N -1.000  -6.888 1.207  -1.000  -6.888 1.207  DCY 10 O    polymer 1 1 58  ? ? ? 
PRD_000734 C33  C33  C 0 1 N N N -0.950  -3.384 1.281  -0.950  -3.384 1.281  DCY 10 CB   polymer 1 1 59  ? ? ? 
PRD_000734 S3   S3   S 0 1 N N N 0.150   -1.933 1.341  0.150   -1.933 1.341  DCY 10 SG   polymer 1 1 60  ? ? ? 
PRD_000734 N11  N11  N 0 1 N N N -2.244  -5.629 -0.171 -2.244  -5.629 -0.171 DSG 11 N    polymer 1 1 61  ? ? ? 
PRD_000734 C34  C34  C 0 1 N N R -3.197  -6.703 -0.425 -3.197  -6.703 -0.425 DSG 11 CA   polymer 1 1 62  ? ? ? 
PRD_000734 C35  C35  C 0 1 N N N -4.630  -6.342 -0.050 -4.630  -6.342 -0.050 DSG 11 C    polymer 1 1 63  ? ? ? 
PRD_000734 O15  O15  O 0 1 N N N -5.355  -7.181 0.486  -5.355  -7.181 0.486  DSG 11 O    polymer 1 1 64  ? ? ? 
PRD_000734 C36  C36  C 0 1 N N N -3.159  -7.111 -1.905 -3.159  -7.111 -1.905 DSG 11 CB   polymer 1 1 65  ? ? ? 
PRD_000734 C37  C37  C 0 1 N N N -1.965  -7.985 -2.267 -1.965  -7.985 -2.267 DSG 11 CG   polymer 1 1 66  ? ? ? 
PRD_000734 O16  O16  O 0 1 N N N -1.805  -8.380 -3.420 -1.805  -8.380 -3.420 DSG 11 OD1  polymer 1 1 67  ? ? ? 
PRD_000734 N12  N12  N 0 1 N N N -1.122  -8.299 -1.294 -1.122  -8.299 -1.294 DSG 11 ND2  polymer 1 1 68  ? ? ? 
PRD_000734 N13  N13  N 0 1 N N N -5.065  -5.122 -0.345 -5.065  -5.122 -0.345 DTH 12 N    polymer 1 1 69  ? ? ? 
PRD_000734 C38  C38  C 0 1 N N R -6.434  -4.747 -0.040 -6.434  -4.747 -0.040 DTH 12 CA   polymer 1 1 70  ? ? ? 
PRD_000734 C39  C39  C 0 1 N N S -7.040  -3.871 -1.166 -7.040  -3.871 -1.166 DTH 12 CB   polymer 1 1 71  ? ? ? 
PRD_000734 C40  C40  C 0 1 N N N -8.548  -3.741 -1.013 -8.548  -3.741 -1.013 DTH 12 CG2  polymer 1 1 72  ? ? ? 
PRD_000734 O17  O17  O 0 1 N N N -6.443  -2.572 -1.180 -6.443  -2.572 -1.180 DTH 12 OG1  polymer 1 1 73  ? ? ? 
PRD_000734 C41  C41  C 0 1 N N N -6.539  -4.033 1.308  -6.539  -4.033 1.308  DTH 12 C    polymer 1 1 74  ? ? ? 
PRD_000734 O18  O18  O 0 1 N N N -5.813  -3.071 1.582  -5.813  -3.071 1.582  DTH 12 O    polymer 1 1 75  ? ? ? 
PRD_000734 N14  N14  N 0 1 N N N -7.453  -4.503 2.179  -7.453  -4.503 2.179  DPR 13 N    polymer 1 1 76  ? ? ? 
PRD_000734 C42  C42  C 0 1 N N R -7.661  -3.915 3.500  -7.661  -3.915 3.500  DPR 13 CA   polymer 1 1 77  ? ? ? 
PRD_000734 C43  C43  C 0 1 N N N -8.868  -4.677 4.069  -8.868  -4.677 4.069  DPR 13 CB   polymer 1 1 78  ? ? ? 
PRD_000734 C44  C44  C 0 1 N N N -9.475  -5.387 2.904  -9.475  -5.387 2.904  DPR 13 CG   polymer 1 1 79  ? ? ? 
PRD_000734 C45  C45  C 0 1 N N N -8.350  -5.645 1.944  -8.350  -5.645 1.944  DPR 13 CD   polymer 1 1 80  ? ? ? 
PRD_000734 C46  C46  C 0 1 N N N -7.962  -2.426 3.401  -7.962  -2.426 3.401  DPR 13 C    polymer 1 1 81  ? ? ? 
PRD_000734 O19  O19  O 0 1 N N N -8.862  -2.003 2.670  -8.862  -2.003 2.670  DPR 13 O    polymer 1 1 82  ? ? ? 
PRD_000734 N15  N15  N 0 1 N N N -7.183  -1.634 4.111  -7.183  -1.634 4.111  GLY 14 N    polymer 1 1 83  ? ? ? 
PRD_000734 C47  C47  C 0 1 N N N -7.355  -0.202 4.066  -7.355  -0.202 4.066  GLY 14 CA   polymer 1 1 84  ? ? ? 
PRD_000734 C48  C48  C 0 1 N N N -6.157  0.468  3.435  -6.157  0.468  3.435  GLY 14 C    polymer 1 1 85  ? ? ? 
PRD_000734 O20  O20  O 0 1 N N N -5.863  1.628  3.716  -5.863  1.628  3.716  GLY 14 O    polymer 1 1 86  ? ? ? 
PRD_000734 N16  N16  N 0 1 N N N -5.453  -0.273 2.588  -5.453  -0.273 2.588  DCY 15 N    polymer 1 1 87  ? ? ? 
PRD_000734 C49  C49  C 0 1 N N S -4.274  0.255  1.937  -4.274  0.255  1.937  DCY 15 CA   polymer 1 1 88  ? ? ? 
PRD_000734 C50  C50  C 0 1 N N N -3.049  0.003  2.790  -3.049  0.003  2.790  DCY 15 C    polymer 1 1 89  ? ? ? 
PRD_000734 O21  O21  O 0 1 N N N -2.800  -1.112 3.250  -2.800  -1.112 3.250  DCY 15 O    polymer 1 1 90  ? ? ? 
PRD_000734 C51  C51  C 0 1 N N N -4.088  -0.353 0.545  -4.088  -0.353 0.545  DCY 15 CB   polymer 1 1 91  ? ? ? 
PRD_000734 S4   S4   S 0 1 N N N -5.350  0.176  -0.660 -5.350  0.176  -0.660 DCY 15 SG   polymer 1 1 92  ? ? ? 
PRD_000734 N17  N17  N 0 1 N N N -2.300  1.056  2.994  -2.300  1.056  2.994  DTH 16 N    polymer 1 1 93  ? ? ? 
PRD_000734 C52  C52  C 0 1 N N R -1.088  1.010  3.783  -1.088  1.010  3.783  DTH 16 CA   polymer 1 1 94  ? ? ? 
PRD_000734 C53  C53  C 0 1 N N S -1.094  2.100  4.876  -1.094  2.100  4.876  DTH 16 CB   polymer 1 1 95  ? ? ? 
PRD_000734 C54  C54  C 0 1 N N N -1.054  3.498  4.271  -1.054  3.498  4.271  DTH 16 CG2  polymer 1 1 96  ? ? ? 
PRD_000734 O22  O22  O 0 1 N N N -2.271  1.965  5.680  -2.271  1.965  5.680  DTH 16 OG1  polymer 1 1 97  ? ? ? 
PRD_000734 C55  C55  C 0 1 N N N 0.124   1.176  2.882  0.124   1.176  2.882  DTH 16 C    polymer 1 1 98  ? ? ? 
PRD_000734 O23  O23  O 0 1 N N N 0.028   1.751  1.799  0.028   1.751  1.799  DTH 16 O    polymer 1 1 99  ? ? ? 
PRD_000734 N18  N18  N 0 1 N N N 1.250   0.641  3.309  1.250   0.641  3.309  DCY 17 N    polymer 1 1 100 ? ? ? 
PRD_000734 C56  C56  C 0 1 N N S 2.457   0.707  2.511  2.457   0.707  2.511  DCY 17 CA   polymer 1 1 101 ? ? ? 
PRD_000734 C57  C57  C 0 1 N N N 3.101   2.086  2.506  3.101   2.086  2.506  DCY 17 C    polymer 1 1 102 ? ? ? 
PRD_000734 O24  O24  O 0 1 N N N 3.126   2.799  3.509  3.126   2.799  3.509  DCY 17 O    polymer 1 1 103 ? ? ? 
PRD_000734 C58  C58  C 0 1 N N N 3.473   -0.328 2.995  3.473   -0.328 2.995  DCY 17 CB   polymer 1 1 104 ? ? ? 
PRD_000734 S5   S5   S 0 1 N N N 5.069   -0.274 2.111  5.069   -0.274 2.111  DCY 17 SG   polymer 1 1 105 ? ? ? 
PRD_000734 N19  N19  N 0 1 N N N 3.642   2.411  1.353  3.642   2.411  1.353  DSN 18 N    polymer 1 1 106 ? ? ? 
PRD_000734 C59  C59  C 0 1 N N R 4.348   3.647  1.097  4.348   3.647  1.097  DSN 18 CA   polymer 1 1 107 ? ? ? 
PRD_000734 C60  C60  C 0 1 N N N 5.433   3.308  0.091  5.433   3.308  0.091  DSN 18 C    polymer 1 1 108 ? ? ? 
PRD_000734 O25  O25  O 0 1 N N N 5.407   3.755  -1.057 5.407   3.755  -1.057 DSN 18 O    polymer 1 1 109 ? ? ? 
PRD_000734 C61  C61  C 0 1 N N N 3.396   4.714  0.549  3.396   4.714  0.549  DSN 18 CB   polymer 1 1 110 ? ? ? 
PRD_000734 O26  O26  O 0 1 N N N 2.324   4.938  1.449  2.324   4.938  1.449  DSN 18 OG   polymer 1 1 111 ? ? ? 
PRD_000734 N20  N20  N 0 1 N N N 6.326   2.423  0.553  6.326   2.423  0.553  DTR 19 N    polymer 1 1 112 ? ? ? 
PRD_000734 C62  C62  C 0 1 N N R 7.431   1.858  -0.222 7.431   1.858  -0.222 DTR 19 CA   polymer 1 1 113 ? ? ? 
PRD_000734 C63  C63  C 0 1 N N N 8.639   1.643  0.700  8.639   1.643  0.700  DTR 19 CB   polymer 1 1 114 ? ? ? 
PRD_000734 C64  C64  C 0 1 Y N N 9.589   0.590  0.206  9.589   0.590  0.206  DTR 19 CG   polymer 1 1 115 ? ? ? 
PRD_000734 C65  C65  C 0 1 Y N N 9.631   -0.714 0.603  9.631   -0.714 0.603  DTR 19 CD1  polymer 1 1 116 ? ? ? 
PRD_000734 N21  N21  N 0 1 Y N N 10.628  -1.380 -0.064 10.628  -1.380 -0.064 DTR 19 NE1  polymer 1 1 117 ? ? ? 
PRD_000734 C66  C66  C 0 1 Y N N 11.269  -0.502 -0.897 11.269  -0.502 -0.897 DTR 19 CE2  polymer 1 1 118 ? ? ? 
PRD_000734 C67  C67  C 0 1 Y N N 12.340  -0.706 -1.764 12.340  -0.706 -1.764 DTR 19 CZ2  polymer 1 1 119 ? ? ? 
PRD_000734 C68  C68  C 0 1 Y N N 12.783  0.368  -2.488 12.783  0.368  -2.488 DTR 19 CH2  polymer 1 1 120 ? ? ? 
PRD_000734 C69  C69  C 0 1 Y N N 12.183  1.627  -2.363 12.183  1.627  -2.363 DTR 19 CZ3  polymer 1 1 121 ? ? ? 
PRD_000734 C70  C70  C 0 1 Y N N 11.119  1.830  -1.505 11.119  1.830  -1.505 DTR 19 CE3  polymer 1 1 122 ? ? ? 
PRD_000734 C71  C71  C 0 1 Y N N 10.646  0.752  -0.752 10.646  0.752  -0.752 DTR 19 CD2  polymer 1 1 123 ? ? ? 
PRD_000734 C72  C72  C 0 1 N N N 7.841   2.701  -1.426 7.841   2.701  -1.426 DTR 19 C    polymer 1 1 124 ? ? ? 
PRD_000734 O27  O27  O 0 1 N N N 8.181   3.878  -1.294 8.181   3.878  -1.294 DTR 19 O    polymer 1 1 125 ? ? ? 
PRD_000734 N22  N22  N 0 1 N N N 7.806   2.098  -2.628 7.806   2.098  -2.628 DPR 20 N    polymer 1 1 126 ? ? ? 
PRD_000734 C73  C73  C 0 1 N N R 7.413   0.708  -2.832 7.413   0.708  -2.832 DPR 20 CA   polymer 1 1 127 ? ? ? 
PRD_000734 C74  C74  C 0 1 N N N 8.358   0.284  -3.956 8.358   0.284  -3.956 DPR 20 CB   polymer 1 1 128 ? ? ? 
PRD_000734 C75  C75  C 0 1 N N N 8.725   1.549  -4.689 8.725   1.549  -4.689 DPR 20 CG   polymer 1 1 129 ? ? ? 
PRD_000734 C76  C76  C 0 1 N N N 8.162   2.713  -3.903 8.162   2.713  -3.903 DPR 20 CD   polymer 1 1 130 ? ? ? 
PRD_000734 C77  C77  C 0 1 N N N 5.962   0.532  -3.293 5.962   0.532  -3.293 DPR 20 C    polymer 1 1 131 ? ? ? 
PRD_000734 O28  O28  O 0 1 N N N 5.639   -0.465 -3.936 5.639   -0.465 -3.936 DPR 20 O    polymer 1 1 132 ? ? ? 
PRD_000734 N23  N23  N 0 1 N N N 5.089   1.482  -2.980 5.089   1.482  -2.980 DVA 21 N    polymer 1 1 133 ? ? ? 
PRD_000734 C78  C78  C 0 1 N N R 3.694   1.383  -3.407 3.694   1.383  -3.407 DVA 21 CA   polymer 1 1 134 ? ? ? 
PRD_000734 C79  C79  C 0 1 N N N 3.353   2.444  -4.481 3.353   2.444  -4.481 DVA 21 CB   polymer 1 1 135 ? ? ? 
PRD_000734 C80  C80  C 0 1 N N N 3.702   3.845  -3.998 3.702   3.845  -3.998 DVA 21 CG1  polymer 1 1 136 ? ? ? 
PRD_000734 C81  C81  C 0 1 N N N 4.064   2.132  -5.789 4.064   2.132  -5.789 DVA 21 CG2  polymer 1 1 137 ? ? ? 
PRD_000734 C82  C82  C 0 1 N N N 2.714   1.529  -2.249 2.714   1.529  -2.249 DVA 21 C    polymer 1 1 138 ? ? ? 
PRD_000734 O29  O29  O 0 1 N N N 2.974   2.228  -1.281 2.974   2.228  -1.281 DVA 21 O    polymer 1 1 139 ? ? ? 
PRD_000734 N24  N24  N 0 1 N N N 1.581   0.859  -2.362 1.581   0.859  -2.362 DCY 22 N    polymer 1 1 140 ? ? ? 
PRD_000734 C83  C83  C 0 1 N N S 0.548   0.915  -1.339 0.548   0.915  -1.339 DCY 22 CA   polymer 1 1 141 ? ? ? 
PRD_000734 C84  C84  C 0 1 N N N -0.452  2.021  -1.628 -0.452  2.021  -1.628 DCY 22 C    polymer 1 1 142 ? ? ? 
PRD_000734 O30  O30  O 0 1 N N N -0.887  2.201  -2.769 -0.887  2.201  -2.769 DCY 22 O    polymer 1 1 143 ? ? ? 
PRD_000734 C85  C85  C 0 1 N N N -0.182  -0.423 -1.259 -0.182  -0.423 -1.259 DCY 22 CB   polymer 1 1 144 ? ? ? 
PRD_000734 S6   S6   S 0 1 N N N 0.828   -1.770 -0.567 0.828   -1.770 -0.567 DCY 22 SG   polymer 1 1 145 ? ? ? 
PRD_000734 N25  N25  N 0 1 N N N -0.823  2.756  -0.593 -0.823  2.756  -0.593 DTH 23 N    polymer 1 1 146 ? ? ? 
PRD_000734 C86  C86  C 0 1 N N R -1.776  3.837  -0.735 -1.776  3.837  -0.735 DTH 23 CA   polymer 1 1 147 ? ? ? 
PRD_000734 C87  C87  C 0 1 N N S -1.132  5.213  -0.476 -1.132  5.213  -0.476 DTH 23 CB   polymer 1 1 148 ? ? ? 
PRD_000734 C88  C88  C 0 1 N N N -0.719  5.369  0.980  -0.719  5.369  0.980  DTH 23 CG2  polymer 1 1 149 ? ? ? 
PRD_000734 O31  O31  O 0 1 N N N 0.014   5.384  -1.318 0.014   5.384  -1.318 DTH 23 OG1  polymer 1 1 150 ? ? ? 
PRD_000734 C89  C89  C 0 1 N N N -2.951  3.679  0.215  -2.951  3.679  0.215  DTH 23 C    polymer 1 1 151 ? ? ? 
PRD_000734 O32  O32  O 0 1 N N N -2.849  3.045  1.263  -2.849  3.045  1.263  DTH 23 O    polymer 1 1 152 ? ? ? 
PRD_000734 N26  N26  N 0 1 N N N -4.054  4.286  -0.154 -4.054  4.286  -0.154 DAR 24 N    polymer 1 1 153 ? ? ? 
PRD_000734 C90  C90  C 0 1 N N R -5.255  4.263  0.644  -5.255  4.263  0.644  DAR 24 CA   polymer 1 1 154 ? ? ? 
PRD_000734 C91  C91  C 0 1 N N N -6.431  3.822  -0.214 -6.431  3.822  -0.214 DAR 24 CB   polymer 1 1 155 ? ? ? 
PRD_000734 C92  C92  C 0 1 N N N -7.728  3.610  0.551  -7.728  3.610  0.551  DAR 24 CG   polymer 1 1 156 ? ? ? 
PRD_000734 C93  C93  C 0 1 N N N -8.741  2.852  -0.293 -8.741  2.852  -0.293 DAR 24 CD   polymer 1 1 157 ? ? ? 
PRD_000734 N27  N27  N 0 1 N N N -8.369  1.443  -0.457 -8.369  1.443  -0.457 DAR 24 NE   polymer 1 1 158 ? ? ? 
PRD_000734 C94  C94  C 0 1 N N N -8.641  0.488  0.435  -8.641  0.488  0.435  DAR 24 CZ   polymer 1 1 159 ? ? ? 
PRD_000734 N28  N28  N 0 1 N N N -9.398  0.756  1.495  -9.398  0.756  1.495  DAR 24 NH1  polymer 1 1 160 ? ? ? 
PRD_000734 N29  N29  N 1 1 N N N -8.173  -0.743 0.262  -8.173  -0.743 0.262  DAR 24 NH2  polymer 1 1 161 ? ? ? 
PRD_000734 C95  C95  C 0 1 N N N -5.482  5.646  1.193  -5.482  5.646  1.193  DAR 24 C    polymer 1 1 162 ? ? ? 
PRD_000734 O33  O33  O 0 1 N N N -5.568  6.602  0.424  -5.568  6.602  0.424  DAR 24 O    polymer 1 1 163 ? ? ? 
PRD_000734 N30  N30  N 0 1 N N N -5.514  5.742  2.518  -5.514  5.742  2.518  DSG 25 N    polymer 1 1 164 ? ? ? 
PRD_000734 C96  C96  C 0 1 N N R -5.670  7.009  3.243  -5.670  7.009  3.243  DSG 25 CA   polymer 1 1 165 ? ? ? 
PRD_000734 C97  C97  C 0 1 N N N -4.700  8.087  2.748  -4.700  8.087  2.748  DSG 25 C    polymer 1 1 166 ? ? ? 
PRD_000734 O34  O34  O 0 1 N N N -4.880  9.270  3.038  -4.880  9.270  3.038  DSG 25 O    polymer 1 1 167 ? ? ? 
PRD_000734 C98  C98  C 0 1 N N N -7.128  7.535  3.238  -7.128  7.535  3.238  DSG 25 CB   polymer 1 1 168 ? ? ? 
PRD_000734 C99  C99  C 0 1 N N N -7.675  7.909  1.869  -7.675  7.909  1.869  DSG 25 CG   polymer 1 1 169 ? ? ? 
PRD_000734 O35  O35  O 0 1 N N N -8.186  7.061  1.136  -8.186  7.061  1.136  DSG 25 OD1  polymer 1 1 170 ? ? ? 
PRD_000734 N31  N31  N 0 1 N N N -7.569  9.181  1.513  -7.569  9.181  1.513  DSG 25 ND2  polymer 1 1 171 ? ? ? 
PRD_000734 N32  N32  N 0 1 N N N -3.656  7.673  2.026  -3.656  7.673  2.026  GLY 26 N    polymer 1 1 172 ? ? ? 
PRD_000734 C100 C100 C 0 1 N N N -2.669  8.627  1.544  -2.669  8.627  1.544  GLY 26 CA   polymer 1 1 173 ? ? ? 
PRD_000734 C101 C101 C 0 1 N N N -2.571  8.708  0.030  -2.571  8.708  0.030  GLY 26 C    polymer 1 1 174 ? ? ? 
PRD_000734 O36  O36  O 0 1 N N N -1.655  9.333  -0.499 -1.655  9.333  -0.499 GLY 26 O    polymer 1 1 175 ? ? ? 
PRD_000734 N33  N33  N 0 1 N N N -3.505  8.089  -0.673 -3.505  8.089  -0.673 DLE 27 N    polymer 1 1 176 ? ? ? 
PRD_000734 C102 C102 C 0 1 N N R -3.496  8.119  -2.129 -3.496  8.119  -2.129 DLE 27 CA   polymer 1 1 177 ? ? ? 
PRD_000734 C103 C103 C 0 1 N N N -4.891  8.459  -2.661 -4.891  8.459  -2.661 DLE 27 CB   polymer 1 1 178 ? ? ? 
PRD_000734 C104 C104 C 0 1 N N N -5.524  9.715  -2.068 -5.524  9.715  -2.068 DLE 27 CG   polymer 1 1 179 ? ? ? 
PRD_000734 C105 C105 C 0 1 N N N -4.707  10.949 -2.423 -4.707  10.949 -2.423 DLE 27 CD1  polymer 1 1 180 ? ? ? 
PRD_000734 C106 C106 C 0 1 N N N -6.959  9.866  -2.549 -6.959  9.866  -2.549 DLE 27 CD2  polymer 1 1 181 ? ? ? 
PRD_000734 C107 C107 C 0 1 N N N -3.067  6.776  -2.686 -3.067  6.776  -2.686 DLE 27 C    polymer 1 1 182 ? ? ? 
PRD_000734 O37  O37  O 0 1 N N N -3.674  5.756  -2.366 -3.674  5.756  -2.366 DLE 27 O    polymer 1 1 183 ? ? ? 
PRD_000734 N34  N34  N 0 1 N N N -2.020  6.743  -3.523 -2.020  6.743  -3.523 DPR 28 N    polymer 1 1 184 ? ? ? 
PRD_000734 C108 C108 C 0 1 N N R -1.518  5.503  -4.119 -1.518  5.503  -4.119 DPR 28 CA   polymer 1 1 185 ? ? ? 
PRD_000734 C109 C109 C 0 1 N N N -0.135  5.883  -4.673 -0.135  5.883  -4.673 DPR 28 CB   polymer 1 1 186 ? ? ? 
PRD_000734 C110 C110 C 0 1 N N N 0.115   7.291  -4.226 0.115   7.291  -4.226 DPR 28 CG   polymer 1 1 187 ? ? ? 
PRD_000734 C111 C111 C 0 1 N N N -1.233  7.899  -3.955 -1.233  7.899  -3.955 DPR 28 CD   polymer 1 1 188 ? ? ? 
PRD_000734 C112 C112 C 0 1 N N N -2.426  4.993  -5.226 -2.426  4.993  -5.226 DPR 28 C    polymer 1 1 189 ? ? ? 
PRD_000734 O38  O38  O 0 1 N N N -1.988  4.688  -6.334 -1.988  4.688  -6.334 DPR 28 O    polymer 1 1 190 ? ? ? 
PRD_000734 N35  N35  N 0 1 N N N -3.698  4.910  -4.902 -3.698  4.910  -4.902 DVA 29 N    polymer 1 1 191 ? ? ? 
PRD_000734 C113 C113 C 0 1 N N R -4.709  4.451  -5.836 -4.709  4.451  -5.836 DVA 29 CA   polymer 1 1 192 ? ? ? 
PRD_000734 C114 C114 C 0 1 N N N -5.988  5.315  -5.742 -5.988  5.315  -5.742 DVA 29 CB   polymer 1 1 193 ? ? ? 
PRD_000734 C115 C115 C 0 1 N N N -6.536  5.326  -4.320 -6.536  5.326  -4.320 DVA 29 CG1  polymer 1 1 194 ? ? ? 
PRD_000734 C116 C116 C 0 1 N N N -5.713  6.732  -6.225 -5.713  6.732  -6.225 DVA 29 CG2  polymer 1 1 195 ? ? ? 
PRD_000734 C117 C117 C 0 1 N N N -5.078  2.992  -5.597 -5.078  2.992  -5.597 DVA 29 C    polymer 1 1 196 ? ? ? 
PRD_000734 O39  O39  O 0 1 N N N -6.121  2.531  -6.052 -6.121  2.531  -6.052 DVA 29 O    polymer 1 1 197 ? ? ? 
PRD_000734 H1   H1   H 0 1 N N N -3.386  2.683  -4.539 -3.386  2.683  -4.539 DCY 1  H    polymer 1 1 198 ? ? ? 
PRD_000734 H2   H2   H 0 1 N N N -5.580  0.705  -4.547 -5.580  0.705  -4.547 DCY 1  HA   polymer 1 1 199 ? ? ? 
PRD_000734 H3   H3   H 0 1 N N N -4.142  -0.596 -3.079 -4.142  -0.596 -3.079 DCY 1  HB2  polymer 1 1 200 ? ? ? 
PRD_000734 H4   H4   H 0 1 N N N -2.766  0.516  -3.389 -2.766  0.516  -3.389 DCY 1  HB3  polymer 1 1 201 ? ? ? 
PRD_000734 H5   H5   H 0 1 N N N -2.523  1.359  -6.143 -2.523  1.359  -6.143 GLY 2  H    polymer 1 1 202 ? ? ? 
PRD_000734 H6   H6   H 0 1 N N N -3.091  -0.745 -8.086 -3.091  -0.745 -8.086 GLY 2  HA2  polymer 1 1 203 ? ? ? 
PRD_000734 H7   H7   H 0 1 N N N -1.709  0.403  -8.110 -1.709  0.403  -8.110 GLY 2  HA3  polymer 1 1 204 ? ? ? 
PRD_000734 H8   H8   H 0 1 N N N -1.939  -0.915 -5.087 -1.939  -0.915 -5.087 DGL 3  H    polymer 1 1 205 ? ? ? 
PRD_000734 H9   H9   H 0 1 N N N -0.446  -3.395 -5.625 -0.446  -3.395 -5.625 DGL 3  HA   polymer 1 1 206 ? ? ? 
PRD_000734 H10  H10  H 0 1 N N N -0.513  -3.628 -3.155 -0.513  -3.628 -3.155 DGL 3  HB2  polymer 1 1 207 ? ? ? 
PRD_000734 H11  H11  H 0 1 N N N -1.322  -2.028 -3.042 -1.322  -2.028 -3.042 DGL 3  HB3  polymer 1 1 208 ? ? ? 
PRD_000734 H12  H12  H 0 1 N N N -2.987  -3.254 -4.767 -2.987  -3.254 -4.767 DGL 3  HG2  polymer 1 1 209 ? ? ? 
PRD_000734 H13  H13  H 0 1 N N N -2.384  -4.683 -3.861 -2.384  -4.683 -3.861 DGL 3  HG3  polymer 1 1 210 ? ? ? 
PRD_000734 H14  H14  H 0 1 N N N -5.026  -2.551 -2.131 -5.026  -2.551 -2.131 DGL 3  HE2  polymer 1 1 211 ? ? ? 
PRD_000734 H15  H15  H 0 1 N N N 1.569   -3.811 -4.765 1.569   -3.811 -4.765 DTH 4  H    polymer 1 1 212 ? ? ? 
PRD_000734 H16  H16  H 0 1 N N N 3.205   -1.387 -4.160 3.205   -1.387 -4.160 DTH 4  HA   polymer 1 1 213 ? ? ? 
PRD_000734 H17  H17  H 0 1 N N N 5.147   -2.592 -5.089 5.147   -2.592 -5.089 DTH 4  HB   polymer 1 1 214 ? ? ? 
PRD_000734 H18  H18  H 0 0 N N N 4.816   -4.612 -6.477 4.816   -4.613 -6.477 DTH 4  HG21 polymer 1 1 215 ? ? ? 
PRD_000734 H19  H19  H 0 0 N N N 4.384   -4.904 -4.758 4.384   -4.904 -4.758 DTH 4  HG22 polymer 1 1 216 ? ? ? 
PRD_000734 H20  H20  H 0 0 N N N 3.091   -4.665 -5.982 3.091   -4.665 -5.982 DTH 4  HG23 polymer 1 1 217 ? ? ? 
PRD_000734 H21  H21  H 0 1 N N N 4.419   -2.412 -7.304 4.419   -2.412 -7.304 DTH 4  HG1  polymer 1 1 218 ? ? ? 
PRD_000734 H22  H22  H 0 1 N N N 4.928   -1.693 -2.664 4.928   -1.693 -2.664 DCY 5  H    polymer 1 1 219 ? ? ? 
PRD_000734 H23  H23  H 0 1 N N N 4.710   -4.173 -1.052 4.710   -4.173 -1.052 DCY 5  HA   polymer 1 1 220 ? ? ? 
PRD_000734 H24  H24  H 0 1 N N N 3.327   -2.679 0.150  3.327   -2.679 0.150  DCY 5  HB2  polymer 1 1 221 ? ? ? 
PRD_000734 H25  H25  H 0 1 N N N 4.885   -2.843 1.028  4.885   -2.842 1.028  DCY 5  HB3  polymer 1 1 222 ? ? ? 
PRD_000734 H26  H26  H 0 1 N N N 6.558   -4.072 -2.737 6.558   -4.072 -2.737 DVA 6  H    polymer 1 1 223 ? ? ? 
PRD_000734 H27  H27  H 0 1 N N N 8.995   -2.747 -2.109 8.995   -2.747 -2.109 DVA 6  HA   polymer 1 1 224 ? ? ? 
PRD_000734 H28  H28  H 0 1 N N N 8.638   -5.546 -3.292 8.638   -5.546 -3.292 DVA 6  HB   polymer 1 1 225 ? ? ? 
PRD_000734 H29  H29  H 0 0 N N N 8.748   -4.418 -5.496 8.748   -4.418 -5.496 DVA 6  HG11 polymer 1 1 226 ? ? ? 
PRD_000734 H30  H30  H 0 0 N N N 7.319   -3.896 -4.542 7.319   -3.896 -4.542 DVA 6  HG12 polymer 1 1 227 ? ? ? 
PRD_000734 H31  H31  H 0 0 N N N 8.754   -2.823 -4.671 8.754   -2.823 -4.671 DVA 6  HG13 polymer 1 1 228 ? ? ? 
PRD_000734 H32  H32  H 0 0 N N N 10.825  -5.099 -4.365 10.825  -5.099 -4.365 DVA 6  HG21 polymer 1 1 229 ? ? ? 
PRD_000734 H33  H33  H 0 0 N N N 10.925  -3.531 -3.494 10.925  -3.531 -3.494 DVA 6  HG22 polymer 1 1 230 ? ? ? 
PRD_000734 H34  H34  H 0 0 N N N 10.938  -5.073 -2.572 10.938  -5.073 -2.572 DVA 6  HG23 polymer 1 1 231 ? ? ? 
PRD_000734 H35  H35  H 0 1 N N N 7.431   -5.661 -0.895 7.431   -5.661 -0.895 GLY 7  H    polymer 1 1 232 ? ? ? 
PRD_000734 H36  H36  H 0 1 N N N 8.255   -7.244 0.659  8.255   -7.244 0.659  GLY 7  HA2  polymer 1 1 233 ? ? ? 
PRD_000734 H37  H37  H 0 1 N N N 9.695   -6.204 0.923  9.695   -6.204 0.923  GLY 7  HA3  polymer 1 1 234 ? ? ? 
PRD_000734 H38  H38  H 0 1 N N N 6.960   -4.251 0.918  6.960   -4.251 0.918  GLY 8  H    polymer 1 1 235 ? ? ? 
PRD_000734 H39  H39  H 0 1 N N N 7.119   -4.024 3.846  7.119   -4.024 3.846  GLY 8  HA2  polymer 1 1 236 ? ? ? 
PRD_000734 H40  H40  H 0 1 N N N 6.276   -2.906 2.720  6.276   -2.906 2.720  GLY 8  HA3  polymer 1 1 237 ? ? ? 
PRD_000734 H41  H41  H 0 1 N N N 4.657   -4.735 1.350  4.657   -4.735 1.350  DTH 9  H    polymer 1 1 238 ? ? ? 
PRD_000734 H42  H42  H 0 1 N N N 2.645   -5.224 3.450  2.645   -5.224 3.450  DTH 9  HA   polymer 1 1 239 ? ? ? 
PRD_000734 H43  H43  H 0 1 N N N 2.189   -7.535 2.683  2.189   -7.535 2.683  DTH 9  HB   polymer 1 1 240 ? ? ? 
PRD_000734 H44  H44  H 0 0 N N N 3.885   -8.762 1.361  3.885   -8.762 1.361  DTH 9  HG21 polymer 1 1 241 ? ? ? 
PRD_000734 H45  H45  H 0 0 N N N 3.160   -7.412 0.424  3.160   -7.412 0.424  DTH 9  HG22 polymer 1 1 242 ? ? ? 
PRD_000734 H46  H46  H 0 0 N N N 4.803   -7.235 1.128  4.803   -7.235 1.128  DTH 9  HG23 polymer 1 1 243 ? ? ? 
PRD_000734 H47  H47  H 0 1 N N N 4.379   -6.690 4.071  4.379   -6.690 4.071  DTH 9  HG1  polymer 1 1 244 ? ? ? 
PRD_000734 H48  H48  H 0 1 N N N 0.569   -5.140 2.727  0.568   -5.140 2.727  DCY 10 H    polymer 1 1 245 ? ? ? 
PRD_000734 H49  H49  H 0 1 N N N 0.229   -4.445 -0.162 0.229   -4.445 -0.162 DCY 10 HA   polymer 1 1 246 ? ? ? 
PRD_000734 H50  H50  H 0 1 N N N -1.775  -3.171 0.586  -1.775  -3.171 0.586  DCY 10 HB2  polymer 1 1 247 ? ? ? 
PRD_000734 H51  H51  H 0 1 N N N -1.355  -3.559 2.288  -1.355  -3.559 2.288  DCY 10 HB3  polymer 1 1 248 ? ? ? 
PRD_000734 H52  H52  H 0 1 N N N -2.373  -4.741 -0.612 -2.373  -4.741 -0.612 DSG 11 H    polymer 1 1 249 ? ? ? 
PRD_000734 H53  H53  H 0 1 N N N -2.905  -7.580 0.171  -2.905  -7.580 0.171  DSG 11 HA   polymer 1 1 250 ? ? ? 
PRD_000734 H54  H54  H 0 1 N N N -4.080  -7.667 -2.136 -4.080  -7.667 -2.136 DSG 11 HB2  polymer 1 1 251 ? ? ? 
PRD_000734 H55  H55  H 0 1 N N N -3.119  -6.197 -2.516 -3.119  -6.198 -2.516 DSG 11 HB3  polymer 1 1 252 ? ? ? 
PRD_000734 H56  H56  H 0 0 N N N -0.327  -8.874 -1.487 -0.327  -8.874 -1.487 DSG 11 HD21 polymer 1 1 253 ? ? ? 
PRD_000734 H57  H57  H 0 0 N N N -1.281  -7.961 -0.366 -1.281  -7.961 -0.366 DSG 11 HD22 polymer 1 1 254 ? ? ? 
PRD_000734 H58  H58  H 0 1 N N N -4.450  -4.462 -0.777 -4.450  -4.462 -0.777 DTH 12 H    polymer 1 1 255 ? ? ? 
PRD_000734 H59  H59  H 0 1 N N N -7.040  -5.663 0.023  -7.040  -5.663 0.023  DTH 12 HA   polymer 1 1 256 ? ? ? 
PRD_000734 H60  H60  H 0 1 N N N -6.838  -4.372 -2.124 -6.838  -4.372 -2.124 DTH 12 HB   polymer 1 1 257 ? ? ? 
PRD_000734 H61  H61  H 0 0 N N N -8.947  -3.115 -1.825 -8.947  -3.115 -1.825 DTH 12 HG21 polymer 1 1 258 ? ? ? 
PRD_000734 H62  H62  H 0 0 N N N -9.008  -4.739 -1.059 -9.009  -4.739 -1.059 DTH 12 HG22 polymer 1 1 259 ? ? ? 
PRD_000734 H63  H63  H 0 0 N N N -8.779  -3.275 -0.044 -8.779  -3.275 -0.044 DTH 12 HG23 polymer 1 1 260 ? ? ? 
PRD_000734 H64  H64  H 0 1 N N N -6.086  -2.378 -0.321 -6.086  -2.378 -0.322 DTH 12 HG1  polymer 1 1 261 ? ? ? 
PRD_000734 H65  H65  H 0 1 N N N -6.783  -4.078 4.142  -6.783  -4.078 4.142  DPR 13 HA   polymer 1 1 262 ? ? ? 
PRD_000734 H66  H66  H 0 1 N N N -8.542  -5.399 4.832  -8.542  -5.399 4.832  DPR 13 HB2  polymer 1 1 263 ? ? ? 
PRD_000734 H67  H67  H 0 1 N N N -9.591  -3.976 4.512  -9.591  -3.976 4.512  DPR 13 HB3  polymer 1 1 264 ? ? ? 
PRD_000734 H68  H68  H 0 1 N N N -9.926  -6.336 3.228  -9.926  -6.337 3.228  DPR 13 HG2  polymer 1 1 265 ? ? ? 
PRD_000734 H69  H69  H 0 1 N N N -10.244 -4.758 2.432  -10.244 -4.758 2.431  DPR 13 HG3  polymer 1 1 266 ? ? ? 
PRD_000734 H70  H70  H 0 1 N N N -8.711  -5.658 0.905  -8.711  -5.658 0.905  DPR 13 HD2  polymer 1 1 267 ? ? ? 
PRD_000734 H71  H71  H 0 1 N N N -7.847  -6.597 2.170  -7.847  -6.597 2.170  DPR 13 HD3  polymer 1 1 268 ? ? ? 
PRD_000734 H72  H72  H 0 1 N N N -6.467  -2.029 4.686  -6.466  -2.029 4.686  GLY 14 H    polymer 1 1 269 ? ? ? 
PRD_000734 H73  H73  H 0 1 N N N -8.252  0.034  3.475  -8.252  0.034  3.475  GLY 14 HA2  polymer 1 1 270 ? ? ? 
PRD_000734 H74  H74  H 0 1 N N N -7.481  0.177  5.091  -7.481  0.177  5.091  GLY 14 HA3  polymer 1 1 271 ? ? ? 
PRD_000734 H75  H75  H 0 1 N N N -5.742  -1.211 2.397  -5.742  -1.211 2.397  DCY 15 H    polymer 1 1 272 ? ? ? 
PRD_000734 H76  H76  H 0 1 N N N -4.389  1.342  1.818  -4.389  1.342  1.818  DCY 15 HA   polymer 1 1 273 ? ? ? 
PRD_000734 H77  H77  H 0 1 N N N -3.099  -0.056 0.165  -3.099  -0.056 0.166  DCY 15 HB2  polymer 1 1 274 ? ? ? 
PRD_000734 H78  H78  H 0 1 N N N -4.132  -1.448 0.636  -4.132  -1.448 0.636  DCY 15 HB3  polymer 1 1 275 ? ? ? 
PRD_000734 H79  H79  H 0 1 N N N -2.576  1.927  2.588  -2.576  1.927  2.589  DTH 16 H    polymer 1 1 276 ? ? ? 
PRD_000734 H80  H80  H 0 1 N N N -1.017  0.031  4.280  -1.017  0.031  4.280  DTH 16 HA   polymer 1 1 277 ? ? ? 
PRD_000734 H81  H81  H 0 1 N N N -0.199  1.965  5.502  -0.199  1.965  5.502  DTH 16 HB   polymer 1 1 278 ? ? ? 
PRD_000734 H82  H82  H 0 0 N N N -1.059  4.247  5.077  -1.059  4.247  5.077  DTH 16 HG21 polymer 1 1 279 ? ? ? 
PRD_000734 H83  H83  H 0 0 N N N -0.139  3.612  3.671  -0.139  3.612  3.671  DTH 16 HG22 polymer 1 1 280 ? ? ? 
PRD_000734 H84  H84  H 0 0 N N N -1.935  3.645  3.628  -1.935  3.645  3.628  DTH 16 HG23 polymer 1 1 281 ? ? ? 
PRD_000734 H85  H85  H 0 1 N N N -2.274  2.636  6.353  -2.274  2.636  6.352  DTH 16 HG1  polymer 1 1 282 ? ? ? 
PRD_000734 H86  H86  H 0 1 N N N 1.272   0.182  4.197  1.271   0.183  4.197  DCY 17 H    polymer 1 1 283 ? ? ? 
PRD_000734 H87  H87  H 0 1 N N N 2.201   0.457  1.471  2.201   0.457  1.471  DCY 17 HA   polymer 1 1 284 ? ? ? 
PRD_000734 H88  H88  H 0 1 N N N 3.664   -0.151 4.064  3.664   -0.151 4.064  DCY 17 HB2  polymer 1 1 285 ? ? ? 
PRD_000734 H89  H89  H 0 1 N N N 3.037   -1.329 2.861  3.037   -1.329 2.861  DCY 17 HB3  polymer 1 1 286 ? ? ? 
PRD_000734 H90  H90  H 0 1 N N N 3.560   1.758  0.600  3.560   1.758  0.600  DSN 18 H    polymer 1 1 287 ? ? ? 
PRD_000734 H91  H91  H 0 1 N N N 4.813   4.019  2.022  4.813   4.019  2.022  DSN 18 HA   polymer 1 1 288 ? ? ? 
PRD_000734 H92  H92  H 0 1 N N N 3.950   5.653  0.406  3.950   5.654  0.406  DSN 18 HB2  polymer 1 1 289 ? ? ? 
PRD_000734 H93  H93  H 0 1 N N N 2.992   4.376  -0.417 2.992   4.376  -0.417 DSN 18 HB3  polymer 1 1 290 ? ? ? 
PRD_000734 H94  H94  H 0 1 N N N 1.745   5.602  1.093  1.745   5.602  1.093  DSN 18 HG   polymer 1 1 291 ? ? ? 
PRD_000734 H95  H95  H 0 1 N N N 6.230   2.125  1.503  6.230   2.125  1.503  DTR 19 H    polymer 1 1 292 ? ? ? 
PRD_000734 H96  H96  H 0 1 N N N 7.122   0.871  -0.597 7.122   0.871  -0.597 DTR 19 HA   polymer 1 1 293 ? ? ? 
PRD_000734 H97  H97  H 0 1 N N N 9.186   2.594  0.785  9.186   2.594  0.785  DTR 19 HB2  polymer 1 1 294 ? ? ? 
PRD_000734 H98  H98  H 0 1 N N N 8.271   1.342  1.692  8.271   1.342  1.692  DTR 19 HB3  polymer 1 1 295 ? ? ? 
PRD_000734 H99  H99  H 0 1 N N N 8.974   -1.158 1.336  8.974   -1.158 1.336  DTR 19 HD1  polymer 1 1 296 ? ? ? 
PRD_000734 H100 H100 H 0 1 N N N 10.851  -2.349 0.041  10.851  -2.349 0.041  DTR 19 HE1  polymer 1 1 297 ? ? ? 
PRD_000734 H101 H101 H 0 1 N N N 12.804  -1.676 -1.861 12.804  -1.676 -1.862 DTR 19 HZ2  polymer 1 1 298 ? ? ? 
PRD_000734 H102 H102 H 0 1 N N N 13.612  0.242  -3.169 13.612  0.242  -3.169 DTR 19 HH2  polymer 1 1 299 ? ? ? 
PRD_000734 H103 H103 H 0 1 N N N 12.558  2.454  -2.947 12.558  2.454  -2.947 DTR 19 HZ3  polymer 1 1 300 ? ? ? 
PRD_000734 H104 H104 H 0 1 N N N 10.661  2.804  -1.418 10.661  2.804  -1.418 DTR 19 HE3  polymer 1 1 301 ? ? ? 
PRD_000734 H105 H105 H 0 1 N N N 7.600   0.105  -1.931 7.600   0.105  -1.931 DPR 20 HA   polymer 1 1 302 ? ? ? 
PRD_000734 H106 H106 H 0 1 N N N 9.258   -0.191 -3.540 9.258   -0.191 -3.540 DPR 20 HB2  polymer 1 1 303 ? ? ? 
PRD_000734 H107 H107 H 0 1 N N N 7.853   -0.419 -4.635 7.853   -0.419 -4.635 DPR 20 HB3  polymer 1 1 304 ? ? ? 
PRD_000734 H108 H108 H 0 1 N N N 9.819   1.638  -4.759 9.819   1.638  -4.759 DPR 20 HG2  polymer 1 1 305 ? ? ? 
PRD_000734 H109 H109 H 0 1 N N N 8.293   1.535  -5.700 8.293   1.535  -5.700 DPR 20 HG3  polymer 1 1 306 ? ? ? 
PRD_000734 H110 H110 H 0 1 N N N 7.277   3.136  -4.400 7.277   3.136  -4.400 DPR 20 HD2  polymer 1 1 307 ? ? ? 
PRD_000734 H111 H111 H 0 1 N N N 8.917   3.501  -3.766 8.917   3.501  -3.766 DPR 20 HD3  polymer 1 1 308 ? ? ? 
PRD_000734 H112 H112 H 0 1 N N N 5.388   2.273  -2.447 5.389   2.273  -2.447 DVA 21 H    polymer 1 1 309 ? ? ? 
PRD_000734 H113 H113 H 0 1 N N N 3.535   0.393  -3.858 3.536   0.393  -3.858 DVA 21 HA   polymer 1 1 310 ? ? ? 
PRD_000734 H114 H114 H 0 1 N N N 2.269   2.404  -4.662 2.269   2.404  -4.662 DVA 21 HB   polymer 1 1 311 ? ? ? 
PRD_000734 H115 H115 H 0 0 N N N 3.450   4.576  -4.780 3.450   4.576  -4.780 DVA 21 HG11 polymer 1 1 312 ? ? ? 
PRD_000734 H116 H116 H 0 0 N N N 3.130   4.071  -3.086 3.130   4.071  -3.086 DVA 21 HG12 polymer 1 1 313 ? ? ? 
PRD_000734 H117 H117 H 0 0 N N N 4.779   3.900  -3.779 4.779   3.900  -3.779 DVA 21 HG13 polymer 1 1 314 ? ? ? 
PRD_000734 H118 H118 H 0 0 N N N 3.809   2.897  -6.537 3.809   2.897  -6.537 DVA 21 HG21 polymer 1 1 315 ? ? ? 
PRD_000734 H119 H119 H 0 0 N N N 5.151   2.130  -5.624 5.152   2.130  -5.624 DVA 21 HG22 polymer 1 1 316 ? ? ? 
PRD_000734 H120 H120 H 0 0 N N N 3.746   1.143  -6.152 3.746   1.143  -6.152 DVA 21 HG23 polymer 1 1 317 ? ? ? 
PRD_000734 H121 H121 H 0 1 N N N 1.429   0.297  -3.175 1.429   0.297  -3.175 DCY 22 H    polymer 1 1 318 ? ? ? 
PRD_000734 H122 H122 H 0 1 N N N 1.014   1.114  -0.363 1.014   1.114  -0.363 DCY 22 HA   polymer 1 1 319 ? ? ? 
PRD_000734 H123 H123 H 0 1 N N N -1.072  -0.295 -0.625 -1.072  -0.295 -0.625 DCY 22 HB2  polymer 1 1 320 ? ? ? 
PRD_000734 H124 H124 H 0 1 N N N -0.494  -0.709 -2.274 -0.494  -0.709 -2.274 DCY 22 HB3  polymer 1 1 321 ? ? ? 
PRD_000734 H125 H125 H 0 1 N N N -0.437  2.561  0.308  -0.437  2.561  0.308  DTH 23 H    polymer 1 1 322 ? ? ? 
PRD_000734 H126 H126 H 0 1 N N N -2.167  3.837  -1.763 -2.167  3.837  -1.763 DTH 23 HA   polymer 1 1 323 ? ? ? 
PRD_000734 H127 H127 H 0 1 N N N -1.877  5.988  -0.709 -1.877  5.988  -0.709 DTH 23 HB   polymer 1 1 324 ? ? ? 
PRD_000734 H128 H128 H 0 0 N N N -0.264  6.360  1.129  -0.264  6.360  1.129  DTH 23 HG21 polymer 1 1 325 ? ? ? 
PRD_000734 H129 H129 H 0 0 N N N -1.605  5.272  1.625  -1.605  5.272  1.625  DTH 23 HG22 polymer 1 1 326 ? ? ? 
PRD_000734 H130 H130 H 0 0 N N N 0.011   4.588  1.240  0.011   4.588  1.240  DTH 23 HG23 polymer 1 1 327 ? ? ? 
PRD_000734 H131 H131 H 0 1 N N N 0.405   6.234  -1.153 0.405   6.234  -1.153 DTH 23 HG1  polymer 1 1 328 ? ? ? 
PRD_000734 H132 H132 H 0 1 N N N -4.062  4.783  -1.021 -4.062  4.784  -1.021 DAR 24 H    polymer 1 1 329 ? ? ? 
PRD_000734 H133 H133 H 0 1 N N N -5.138  3.558  1.480  -5.138  3.557  1.480  DAR 24 HA   polymer 1 1 330 ? ? ? 
PRD_000734 H134 H134 H 0 1 N N N -6.606  4.593  -0.979 -6.606  4.593  -0.979 DAR 24 HB2  polymer 1 1 331 ? ? ? 
PRD_000734 H135 H135 H 0 1 N N N -6.162  2.874  -0.703 -6.162  2.874  -0.703 DAR 24 HB3  polymer 1 1 332 ? ? ? 
PRD_000734 H136 H136 H 0 1 N N N -7.517  3.034  1.464  -7.517  3.033  1.464  DAR 24 HG2  polymer 1 1 333 ? ? ? 
PRD_000734 H137 H137 H 0 1 N N N -8.148  4.589  0.825  -8.148  4.589  0.825  DAR 24 HG3  polymer 1 1 334 ? ? ? 
PRD_000734 H138 H138 H 0 1 N N N -9.724  2.906  0.197  -9.724  2.906  0.197  DAR 24 HD2  polymer 1 1 335 ? ? ? 
PRD_000734 H139 H139 H 0 1 N N N -8.800  3.322  -1.286 -8.800  3.322  -1.286 DAR 24 HD3  polymer 1 1 336 ? ? ? 
PRD_000734 H140 H140 H 0 1 N N N -7.881  1.181  -1.290 -7.881  1.181  -1.289 DAR 24 HE   polymer 1 1 337 ? ? ? 
PRD_000734 H141 H141 H 0 0 N N N -9.610  0.034  2.153  -9.610  0.034  2.153  DAR 24 HH11 polymer 1 1 338 ? ? ? 
PRD_000734 H142 H142 H 0 0 N N N -9.755  1.680  1.634  -9.755  1.680  1.634  DAR 24 HH12 polymer 1 1 339 ? ? ? 
PRD_000734 H143 H143 H 0 0 N N N -8.391  -1.459 0.926  -8.391  -1.459 0.926  DAR 24 HH21 polymer 1 1 340 ? ? ? 
PRD_000734 H144 H144 H 0 0 N N N -7.603  -0.954 -0.532 -7.603  -0.954 -0.532 DAR 24 HH22 polymer 1 1 341 ? ? ? 
PRD_000734 H145 H145 H 0 1 N N N -5.427  4.902  3.053  -5.427  4.902  3.053  DSG 25 H    polymer 1 1 342 ? ? ? 
PRD_000734 H146 H146 H 0 1 N N N -5.414  6.817  4.295  -5.414  6.817  4.295  DSG 25 HA   polymer 1 1 343 ? ? ? 
PRD_000734 H147 H147 H 0 1 N N N -7.774  6.752  3.661  -7.774  6.752  3.661  DSG 25 HB2  polymer 1 1 344 ? ? ? 
PRD_000734 H148 H148 H 0 1 N N N -7.170  8.429  3.877  -7.170  8.429  3.877  DSG 25 HB3  polymer 1 1 345 ? ? ? 
PRD_000734 H149 H149 H 0 0 N N N -7.910  9.481  0.622  -7.910  9.481  0.622  DSG 25 HD21 polymer 1 1 346 ? ? ? 
PRD_000734 H150 H150 H 0 0 N N N -7.148  9.841  2.135  -7.148  9.841  2.135  DSG 25 HD22 polymer 1 1 347 ? ? ? 
PRD_000734 H151 H151 H 0 1 N N N -3.552  6.701  1.815  -3.552  6.701  1.815  GLY 26 H    polymer 1 1 348 ? ? ? 
PRD_000734 H152 H152 H 0 1 N N N -2.936  9.623  1.926  -2.936  9.623  1.926  GLY 26 HA2  polymer 1 1 349 ? ? ? 
PRD_000734 H153 H153 H 0 1 N N N -1.685  8.335  1.939  -1.685  8.335  1.939  GLY 26 HA3  polymer 1 1 350 ? ? ? 
PRD_000734 H154 H154 H 0 1 N N N -4.230  7.592  -0.196 -4.230  7.592  -0.196 DLE 27 H    polymer 1 1 351 ? ? ? 
PRD_000734 H155 H155 H 0 1 N N N -2.791  8.888  -2.477 -2.791  8.888  -2.477 DLE 27 HA   polymer 1 1 352 ? ? ? 
PRD_000734 H156 H156 H 0 1 N N N -4.816  8.597  -3.750 -4.816  8.597  -3.750 DLE 27 HB2  polymer 1 1 353 ? ? ? 
PRD_000734 H157 H157 H 0 1 N N N -5.554  7.609  -2.444 -5.554  7.609  -2.444 DLE 27 HB3  polymer 1 1 354 ? ? ? 
PRD_000734 H158 H158 H 0 1 N N N -5.535  9.611  -0.973 -5.535  9.611  -0.973 DLE 27 HG   polymer 1 1 355 ? ? ? 
PRD_000734 H159 H159 H 0 0 N N N -5.180  11.841 -1.986 -5.180  11.841 -1.986 DLE 27 HD11 polymer 1 1 356 ? ? ? 
PRD_000734 H160 H160 H 0 0 N N N -3.688  10.842 -2.023 -3.688  10.842 -2.023 DLE 27 HD12 polymer 1 1 357 ? ? ? 
PRD_000734 H161 H161 H 0 0 N N N -4.662  11.056 -3.517 -4.662  11.056 -3.517 DLE 27 HD13 polymer 1 1 358 ? ? ? 
PRD_000734 H162 H162 H 0 0 N N N -7.399  10.775 -2.113 -7.399  10.775 -2.112 DLE 27 HD21 polymer 1 1 359 ? ? ? 
PRD_000734 H163 H163 H 0 0 N N N -6.972  9.943  -3.646 -6.972  9.943  -3.646 DLE 27 HD22 polymer 1 1 360 ? ? ? 
PRD_000734 H164 H164 H 0 0 N N N -7.545  8.989  -2.236 -7.545  8.989  -2.236 DLE 27 HD23 polymer 1 1 361 ? ? ? 
PRD_000734 H165 H165 H 0 1 N N N -1.402  4.726  -3.349 -1.402  4.726  -3.349 DPR 28 HA   polymer 1 1 362 ? ? ? 
PRD_000734 H166 H166 H 0 1 N N N 0.637   5.211  -4.269 0.637   5.211  -4.269 DPR 28 HB2  polymer 1 1 363 ? ? ? 
PRD_000734 H167 H167 H 0 1 N N N -0.134  5.825  -5.771 -0.134  5.825  -5.771 DPR 28 HB3  polymer 1 1 364 ? ? ? 
PRD_000734 H168 H168 H 0 1 N N N 0.725   7.296  -3.311 0.725   7.296  -3.311 DPR 28 HG2  polymer 1 1 365 ? ? ? 
PRD_000734 H169 H169 H 0 1 N N N 0.634   7.854  -5.016 0.634   7.854  -5.016 DPR 28 HG3  polymer 1 1 366 ? ? ? 
PRD_000734 H170 H170 H 0 1 N N N -1.656  8.350  -4.865 -1.656  8.350  -4.865 DPR 28 HD2  polymer 1 1 367 ? ? ? 
PRD_000734 H171 H171 H 0 1 N N N -1.174  8.659  -3.162 -1.174  8.659  -3.162 DPR 28 HD3  polymer 1 1 368 ? ? ? 
PRD_000734 H172 H172 H 0 1 N N N -3.978  5.173  -3.979 -3.978  5.173  -3.979 DVA 29 H    polymer 1 1 369 ? ? ? 
PRD_000734 H173 H173 H 0 1 N N N -4.318  4.540  -6.860 -4.318  4.540  -6.860 DVA 29 HA   polymer 1 1 370 ? ? ? 
PRD_000734 H174 H174 H 0 1 N N N -6.748  4.868  -6.400 -6.748  4.868  -6.400 DVA 29 HB   polymer 1 1 371 ? ? ? 
PRD_000734 H175 H175 H 0 0 N N N -7.444  5.946  -4.281 -7.444  5.946  -4.281 DVA 29 HG11 polymer 1 1 372 ? ? ? 
PRD_000734 H176 H176 H 0 0 N N N -6.781  4.298  -4.014 -6.781  4.298  -4.014 DVA 29 HG12 polymer 1 1 373 ? ? ? 
PRD_000734 H177 H177 H 0 0 N N N -5.779  5.741  -3.639 -5.779  5.741  -3.639 DVA 29 HG13 polymer 1 1 374 ? ? ? 
PRD_000734 H178 H178 H 0 0 N N N -6.633  7.330  -6.151 -6.633  7.330  -6.151 DVA 29 HG21 polymer 1 1 375 ? ? ? 
PRD_000734 H179 H179 H 0 0 N N N -4.929  7.186  -5.601 -4.929  7.186  -5.601 DVA 29 HG22 polymer 1 1 376 ? ? ? 
PRD_000734 H180 H180 H 0 0 N N N -5.378  6.704  -7.272 -5.378  6.704  -7.272 DVA 29 HG23 polymer 1 1 377 ? ? ? 
# 
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_000734 N1   C1   SING N N 1   
PRD_000734 N1   H1   SING N N 2   
PRD_000734 C1   C2   SING N N 3   
PRD_000734 C1   C3   SING N N 4   
PRD_000734 C1   H2   SING N N 5   
PRD_000734 C2   O1   DOUB N N 6   
PRD_000734 C3   S1   SING N N 7   
PRD_000734 C3   H3   SING N N 8   
PRD_000734 C3   H4   SING N N 9   
PRD_000734 N2   C4   SING N N 10  
PRD_000734 N2   H5   SING N N 11  
PRD_000734 C4   C5   SING N N 12  
PRD_000734 C4   H6   SING N N 13  
PRD_000734 C4   H7   SING N N 14  
PRD_000734 C5   O2   DOUB N N 15  
PRD_000734 N3   C6   SING N N 16  
PRD_000734 N3   H8   SING N N 17  
PRD_000734 C6   C7   SING N N 18  
PRD_000734 C6   C8   SING N N 19  
PRD_000734 C6   H9   SING N N 20  
PRD_000734 C7   O3   DOUB N N 21  
PRD_000734 C8   C9   SING N N 22  
PRD_000734 C8   H10  SING N N 23  
PRD_000734 C8   H11  SING N N 24  
PRD_000734 C9   C10  SING N N 25  
PRD_000734 C9   H12  SING N N 26  
PRD_000734 C9   H13  SING N N 27  
PRD_000734 C10  O4   DOUB N N 28  
PRD_000734 C10  O5   SING N N 29  
PRD_000734 O5   H14  SING N N 30  
PRD_000734 N4   C11  SING N N 31  
PRD_000734 N4   H15  SING N N 32  
PRD_000734 C11  C12  SING N N 33  
PRD_000734 C11  C14  SING N N 34  
PRD_000734 C11  H16  SING N N 35  
PRD_000734 C12  C13  SING N N 36  
PRD_000734 C12  O6   SING N N 37  
PRD_000734 C12  H17  SING N N 38  
PRD_000734 C13  H18  SING N N 39  
PRD_000734 C13  H19  SING N N 40  
PRD_000734 C13  H20  SING N N 41  
PRD_000734 O6   H21  SING N N 42  
PRD_000734 C14  O7   DOUB N N 43  
PRD_000734 N5   C15  SING N N 44  
PRD_000734 N5   H22  SING N N 45  
PRD_000734 C15  C16  SING N N 46  
PRD_000734 C15  C17  SING N N 47  
PRD_000734 C15  H23  SING N N 48  
PRD_000734 C16  O8   DOUB N N 49  
PRD_000734 C17  S2   SING N N 50  
PRD_000734 C17  H24  SING N N 51  
PRD_000734 C17  H25  SING N N 52  
PRD_000734 N6   C18  SING N N 53  
PRD_000734 N6   H26  SING N N 54  
PRD_000734 C18  C19  SING N N 55  
PRD_000734 C18  C22  SING N N 56  
PRD_000734 C18  H27  SING N N 57  
PRD_000734 C19  C20  SING N N 58  
PRD_000734 C19  C21  SING N N 59  
PRD_000734 C19  H28  SING N N 60  
PRD_000734 C20  H29  SING N N 61  
PRD_000734 C20  H30  SING N N 62  
PRD_000734 C20  H31  SING N N 63  
PRD_000734 C21  H32  SING N N 64  
PRD_000734 C21  H33  SING N N 65  
PRD_000734 C21  H34  SING N N 66  
PRD_000734 C22  O9   DOUB N N 67  
PRD_000734 N7   C23  SING N N 68  
PRD_000734 N7   H35  SING N N 69  
PRD_000734 C23  C24  SING N N 70  
PRD_000734 C23  H36  SING N N 71  
PRD_000734 C23  H37  SING N N 72  
PRD_000734 C24  O10  DOUB N N 73  
PRD_000734 N8   C25  SING N N 74  
PRD_000734 N8   H38  SING N N 75  
PRD_000734 C25  C26  SING N N 76  
PRD_000734 C25  H39  SING N N 77  
PRD_000734 C25  H40  SING N N 78  
PRD_000734 C26  O11  DOUB N N 79  
PRD_000734 N9   C27  SING N N 80  
PRD_000734 N9   H41  SING N N 81  
PRD_000734 C27  C28  SING N N 82  
PRD_000734 C27  C30  SING N N 83  
PRD_000734 C27  H42  SING N N 84  
PRD_000734 C28  C29  SING N N 85  
PRD_000734 C28  O12  SING N N 86  
PRD_000734 C28  H43  SING N N 87  
PRD_000734 C29  H44  SING N N 88  
PRD_000734 C29  H45  SING N N 89  
PRD_000734 C29  H46  SING N N 90  
PRD_000734 O12  H47  SING N N 91  
PRD_000734 C30  O13  DOUB N N 92  
PRD_000734 N10  C31  SING N N 93  
PRD_000734 N10  H48  SING N N 94  
PRD_000734 C31  C32  SING N N 95  
PRD_000734 C31  C33  SING N N 96  
PRD_000734 C31  H49  SING N N 97  
PRD_000734 C32  O14  DOUB N N 98  
PRD_000734 C33  S3   SING N N 99  
PRD_000734 C33  H50  SING N N 100 
PRD_000734 C33  H51  SING N N 101 
PRD_000734 N11  C34  SING N N 102 
PRD_000734 N11  H52  SING N N 103 
PRD_000734 C34  C35  SING N N 104 
PRD_000734 C34  C36  SING N N 105 
PRD_000734 C34  H53  SING N N 106 
PRD_000734 C35  O15  DOUB N N 107 
PRD_000734 C36  C37  SING N N 108 
PRD_000734 C36  H54  SING N N 109 
PRD_000734 C36  H55  SING N N 110 
PRD_000734 C37  O16  DOUB N N 111 
PRD_000734 C37  N12  SING N N 112 
PRD_000734 N12  H56  SING N N 113 
PRD_000734 N12  H57  SING N N 114 
PRD_000734 N13  C38  SING N N 115 
PRD_000734 N13  H58  SING N N 116 
PRD_000734 C38  C39  SING N N 117 
PRD_000734 C38  C41  SING N N 118 
PRD_000734 C38  H59  SING N N 119 
PRD_000734 C39  C40  SING N N 120 
PRD_000734 C39  O17  SING N N 121 
PRD_000734 C39  H60  SING N N 122 
PRD_000734 C40  H61  SING N N 123 
PRD_000734 C40  H62  SING N N 124 
PRD_000734 C40  H63  SING N N 125 
PRD_000734 O17  H64  SING N N 126 
PRD_000734 C41  O18  DOUB N N 127 
PRD_000734 N14  C42  SING N N 128 
PRD_000734 N14  C45  SING N N 129 
PRD_000734 C42  C43  SING N N 130 
PRD_000734 C42  C46  SING N N 131 
PRD_000734 C42  H65  SING N N 132 
PRD_000734 C43  C44  SING N N 133 
PRD_000734 C43  H66  SING N N 134 
PRD_000734 C43  H67  SING N N 135 
PRD_000734 C44  C45  SING N N 136 
PRD_000734 C44  H68  SING N N 137 
PRD_000734 C44  H69  SING N N 138 
PRD_000734 C45  H70  SING N N 139 
PRD_000734 C45  H71  SING N N 140 
PRD_000734 C46  O19  DOUB N N 141 
PRD_000734 N15  C47  SING N N 142 
PRD_000734 N15  H72  SING N N 143 
PRD_000734 C47  C48  SING N N 144 
PRD_000734 C47  H73  SING N N 145 
PRD_000734 C47  H74  SING N N 146 
PRD_000734 C48  O20  DOUB N N 147 
PRD_000734 N16  C49  SING N N 148 
PRD_000734 N16  H75  SING N N 149 
PRD_000734 C49  C50  SING N N 150 
PRD_000734 C49  C51  SING N N 151 
PRD_000734 C49  H76  SING N N 152 
PRD_000734 C50  O21  DOUB N N 153 
PRD_000734 C51  S4   SING N N 154 
PRD_000734 C51  H77  SING N N 155 
PRD_000734 C51  H78  SING N N 156 
PRD_000734 N17  C52  SING N N 157 
PRD_000734 N17  H79  SING N N 158 
PRD_000734 C52  C53  SING N N 159 
PRD_000734 C52  C55  SING N N 160 
PRD_000734 C52  H80  SING N N 161 
PRD_000734 C53  C54  SING N N 162 
PRD_000734 C53  O22  SING N N 163 
PRD_000734 C53  H81  SING N N 164 
PRD_000734 C54  H82  SING N N 165 
PRD_000734 C54  H83  SING N N 166 
PRD_000734 C54  H84  SING N N 167 
PRD_000734 O22  H85  SING N N 168 
PRD_000734 C55  O23  DOUB N N 169 
PRD_000734 N18  C56  SING N N 170 
PRD_000734 N18  H86  SING N N 171 
PRD_000734 C56  C57  SING N N 172 
PRD_000734 C56  C58  SING N N 173 
PRD_000734 C56  H87  SING N N 174 
PRD_000734 C57  O24  DOUB N N 175 
PRD_000734 C58  S5   SING N N 176 
PRD_000734 C58  H88  SING N N 177 
PRD_000734 C58  H89  SING N N 178 
PRD_000734 N19  C59  SING N N 179 
PRD_000734 N19  H90  SING N N 180 
PRD_000734 C59  C60  SING N N 181 
PRD_000734 C59  C61  SING N N 182 
PRD_000734 C59  H91  SING N N 183 
PRD_000734 C60  O25  DOUB N N 184 
PRD_000734 C61  O26  SING N N 185 
PRD_000734 C61  H92  SING N N 186 
PRD_000734 C61  H93  SING N N 187 
PRD_000734 O26  H94  SING N N 188 
PRD_000734 N20  C62  SING N N 189 
PRD_000734 N20  H95  SING N N 190 
PRD_000734 C62  C63  SING N N 191 
PRD_000734 C62  C72  SING N N 192 
PRD_000734 C62  H96  SING N N 193 
PRD_000734 C63  C64  SING N N 194 
PRD_000734 C63  H97  SING N N 195 
PRD_000734 C63  H98  SING N N 196 
PRD_000734 C64  C65  DOUB Y N 197 
PRD_000734 C64  C71  SING Y N 198 
PRD_000734 C65  N21  SING Y N 199 
PRD_000734 C65  H99  SING N N 200 
PRD_000734 N21  C66  SING Y N 201 
PRD_000734 N21  H100 SING N N 202 
PRD_000734 C66  C67  DOUB Y N 203 
PRD_000734 C66  C71  SING Y N 204 
PRD_000734 C67  C68  SING Y N 205 
PRD_000734 C67  H101 SING N N 206 
PRD_000734 C68  C69  DOUB Y N 207 
PRD_000734 C68  H102 SING N N 208 
PRD_000734 C69  C70  SING Y N 209 
PRD_000734 C69  H103 SING N N 210 
PRD_000734 C70  C71  DOUB Y N 211 
PRD_000734 C70  H104 SING N N 212 
PRD_000734 C72  O27  DOUB N N 213 
PRD_000734 N22  C73  SING N N 214 
PRD_000734 N22  C76  SING N N 215 
PRD_000734 C73  C74  SING N N 216 
PRD_000734 C73  C77  SING N N 217 
PRD_000734 C73  H105 SING N N 218 
PRD_000734 C74  C75  SING N N 219 
PRD_000734 C74  H106 SING N N 220 
PRD_000734 C74  H107 SING N N 221 
PRD_000734 C75  C76  SING N N 222 
PRD_000734 C75  H108 SING N N 223 
PRD_000734 C75  H109 SING N N 224 
PRD_000734 C76  H110 SING N N 225 
PRD_000734 C76  H111 SING N N 226 
PRD_000734 C77  O28  DOUB N N 227 
PRD_000734 N23  C78  SING N N 228 
PRD_000734 N23  H112 SING N N 229 
PRD_000734 C78  C79  SING N N 230 
PRD_000734 C78  C82  SING N N 231 
PRD_000734 C78  H113 SING N N 232 
PRD_000734 C79  C80  SING N N 233 
PRD_000734 C79  C81  SING N N 234 
PRD_000734 C79  H114 SING N N 235 
PRD_000734 C80  H115 SING N N 236 
PRD_000734 C80  H116 SING N N 237 
PRD_000734 C80  H117 SING N N 238 
PRD_000734 C81  H118 SING N N 239 
PRD_000734 C81  H119 SING N N 240 
PRD_000734 C81  H120 SING N N 241 
PRD_000734 C82  O29  DOUB N N 242 
PRD_000734 N24  C83  SING N N 243 
PRD_000734 N24  H121 SING N N 244 
PRD_000734 C83  C84  SING N N 245 
PRD_000734 C83  C85  SING N N 246 
PRD_000734 C83  H122 SING N N 247 
PRD_000734 C84  O30  DOUB N N 248 
PRD_000734 C85  S6   SING N N 249 
PRD_000734 C85  H123 SING N N 250 
PRD_000734 C85  H124 SING N N 251 
PRD_000734 N25  C86  SING N N 252 
PRD_000734 N25  H125 SING N N 253 
PRD_000734 C86  C87  SING N N 254 
PRD_000734 C86  C89  SING N N 255 
PRD_000734 C86  H126 SING N N 256 
PRD_000734 C87  C88  SING N N 257 
PRD_000734 C87  O31  SING N N 258 
PRD_000734 C87  H127 SING N N 259 
PRD_000734 C88  H128 SING N N 260 
PRD_000734 C88  H129 SING N N 261 
PRD_000734 C88  H130 SING N N 262 
PRD_000734 O31  H131 SING N N 263 
PRD_000734 C89  O32  DOUB N N 264 
PRD_000734 N26  C90  SING N N 265 
PRD_000734 N26  H132 SING N N 266 
PRD_000734 C90  C91  SING N N 267 
PRD_000734 C90  C95  SING N N 268 
PRD_000734 C90  H133 SING N N 269 
PRD_000734 C91  C92  SING N N 270 
PRD_000734 C91  H134 SING N N 271 
PRD_000734 C91  H135 SING N N 272 
PRD_000734 C92  C93  SING N N 273 
PRD_000734 C92  H136 SING N N 274 
PRD_000734 C92  H137 SING N N 275 
PRD_000734 C93  N27  SING N N 276 
PRD_000734 C93  H138 SING N N 277 
PRD_000734 C93  H139 SING N N 278 
PRD_000734 N27  C94  SING N N 279 
PRD_000734 N27  H140 SING N N 280 
PRD_000734 C94  N28  SING N N 281 
PRD_000734 C94  N29  DOUB N N 282 
PRD_000734 N28  H141 SING N N 283 
PRD_000734 N28  H142 SING N N 284 
PRD_000734 N29  H143 SING N N 285 
PRD_000734 N29  H144 SING N N 286 
PRD_000734 C95  O33  DOUB N N 287 
PRD_000734 N30  C96  SING N N 288 
PRD_000734 N30  H145 SING N N 289 
PRD_000734 C96  C97  SING N N 290 
PRD_000734 C96  C98  SING N N 291 
PRD_000734 C96  H146 SING N N 292 
PRD_000734 C97  O34  DOUB N N 293 
PRD_000734 C98  C99  SING N N 294 
PRD_000734 C98  H147 SING N N 295 
PRD_000734 C98  H148 SING N N 296 
PRD_000734 C99  O35  DOUB N N 297 
PRD_000734 C99  N31  SING N N 298 
PRD_000734 N31  H149 SING N N 299 
PRD_000734 N31  H150 SING N N 300 
PRD_000734 N32  C100 SING N N 301 
PRD_000734 N32  H151 SING N N 302 
PRD_000734 C100 C101 SING N N 303 
PRD_000734 C100 H152 SING N N 304 
PRD_000734 C100 H153 SING N N 305 
PRD_000734 C101 O36  DOUB N N 306 
PRD_000734 N33  C102 SING N N 307 
PRD_000734 N33  H154 SING N N 308 
PRD_000734 C102 C103 SING N N 309 
PRD_000734 C102 C107 SING N N 310 
PRD_000734 C102 H155 SING N N 311 
PRD_000734 C103 C104 SING N N 312 
PRD_000734 C103 H156 SING N N 313 
PRD_000734 C103 H157 SING N N 314 
PRD_000734 C104 C105 SING N N 315 
PRD_000734 C104 C106 SING N N 316 
PRD_000734 C104 H158 SING N N 317 
PRD_000734 C105 H159 SING N N 318 
PRD_000734 C105 H160 SING N N 319 
PRD_000734 C105 H161 SING N N 320 
PRD_000734 C106 H162 SING N N 321 
PRD_000734 C106 H163 SING N N 322 
PRD_000734 C106 H164 SING N N 323 
PRD_000734 C107 O37  DOUB N N 324 
PRD_000734 N34  C108 SING N N 325 
PRD_000734 N34  C111 SING N N 326 
PRD_000734 C108 C109 SING N N 327 
PRD_000734 C108 C112 SING N N 328 
PRD_000734 C108 H165 SING N N 329 
PRD_000734 C109 C110 SING N N 330 
PRD_000734 C109 H166 SING N N 331 
PRD_000734 C109 H167 SING N N 332 
PRD_000734 C110 C111 SING N N 333 
PRD_000734 C110 H168 SING N N 334 
PRD_000734 C110 H169 SING N N 335 
PRD_000734 C111 H170 SING N N 336 
PRD_000734 C111 H171 SING N N 337 
PRD_000734 C112 O38  DOUB N N 338 
PRD_000734 N35  C113 SING N N 339 
PRD_000734 N35  H172 SING N N 340 
PRD_000734 C113 C114 SING N N 341 
PRD_000734 C113 C117 SING N N 342 
PRD_000734 C113 H173 SING N N 343 
PRD_000734 C114 C115 SING N N 344 
PRD_000734 C114 C116 SING N N 345 
PRD_000734 C114 H174 SING N N 346 
PRD_000734 C115 H175 SING N N 347 
PRD_000734 C115 H176 SING N N 348 
PRD_000734 C115 H177 SING N N 349 
PRD_000734 C116 H178 SING N N 350 
PRD_000734 C116 H179 SING N N 351 
PRD_000734 C116 H180 SING N N 352 
PRD_000734 C117 O39  DOUB N N 353 
PRD_000734 N1   C117 SING N N 354 
PRD_000734 C2   N2   SING N N 355 
PRD_000734 C5   N3   SING N N 356 
PRD_000734 C7   N4   SING N N 357 
PRD_000734 C14  N5   SING N N 358 
PRD_000734 C16  N6   SING N N 359 
PRD_000734 C22  N7   SING N N 360 
PRD_000734 C24  N8   SING N N 361 
PRD_000734 C26  N9   SING N N 362 
PRD_000734 C30  N10  SING N N 363 
PRD_000734 C32  N11  SING N N 364 
PRD_000734 C35  N13  SING N N 365 
PRD_000734 C41  N14  SING N N 366 
PRD_000734 C46  N15  SING N N 367 
PRD_000734 C48  N16  SING N N 368 
PRD_000734 C50  N17  SING N N 369 
PRD_000734 C55  N18  SING N N 370 
PRD_000734 C57  N19  SING N N 371 
PRD_000734 C60  N20  SING N N 372 
PRD_000734 C72  N22  SING N N 373 
PRD_000734 C77  N23  SING N N 374 
PRD_000734 C82  N24  SING N N 375 
PRD_000734 C84  N25  SING N N 376 
PRD_000734 C89  N26  SING N N 377 
PRD_000734 C95  N30  SING N N 378 
PRD_000734 C97  N32  SING N N 379 
PRD_000734 C101 N33  SING N N 380 
PRD_000734 C107 N34  SING N N 381 
PRD_000734 C112 N35  SING N N 382 
PRD_000734 S1   S4   SING N N 383 
PRD_000734 S2   S5   SING N N 384 
PRD_000734 S3   S6   SING N N 385 
# 
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_000734 InChI            InChI                1.03  
;InChI=1S/C117H179N35O39S6/c1-49(2)32-65-114(189)150-29-18-24-75(150)105(180)144-86(51(5)6)108(183)137-68-43-192-193-44-69-101(176)147-91(56(12)157)113(188)140-71-46-195-196-47-72(141-112(187)90(55(11)156)146-96(171)62(26-27-84(166)167)129-80(162)39-126-94(68)169)102(177)143-85(50(3)4)107(182)128-37-79(161)124-38-83(165)142-88(53(9)154)110(185)139-70(99(174)134-64(35-78(119)160)97(172)149-92(57(13)158)116(191)152-31-17-23-74(152)104(179)127-41-82(164)131-69)45-194-197-48-73(103(178)148-89(54(10)155)111(186)132-61(22-16-28-122-117(120)121)95(170)133-63(34-77(118)159)93(168)125-40-81(163)130-65)138-109(184)87(52(7)8)145-106(181)76-25-19-30-151(76)115(190)66(135-98(173)67(42-153)136-100(71)175)33-58-36-123-60-21-15-14-20-59(58)60/h14-15,20-21,36,49-57,61-76,85-92,123,153-158H,16-19,22-35,37-48H2,1-13H3,(H2,118,159)(H2,119,160)(H,124,161)(H,125,168)(H,126,169)(H,127,179)(H,128,182)(H,129,162)(H,130,163)(H,131,164)(H,132,186)(H,133,170)(H,134,174)(H,135,173)(H,136,175)(H,137,183)(H,138,184)(H,139,185)(H,140,188)(H,141,187)(H,142,165)(H,143,177)(H,144,180)(H,145,181)(H,146,171)(H,147,176)(H,148,178)(H,149,172)(H,166,167)(H4,120,121,122)/p+1/t53-,54-,55-,56-,57-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,85-,86-,87-,88-,89-,90-,91-,92-/m1/s1
;
PRD_000734 InChIKey         InChI                1.03  HWCVTYJVEWESOJ-OPQUNZKSSA-O 
PRD_000734 SMILES_CANONICAL CACTVS               3.370 "CC(C)C[C@H]1NC(=O)CNC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](NC(=O)[C@H]2CSSC[C@H]3NC(=O)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](NC(=O)[C@H]4CSSC[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](NC(=O)[C@H]5CCCN5C1=O)C(C)C)C(=O)NCC(=O)N[C@H](CCC(O)=O)C(=O)N[C@H]([C@@H](C)O)C(=O)N4)NC(=O)CNC(=O)[C@H]6CCCN6C(=O)[C@H](NC(=O)[C@@H](CC(N)=O)NC3=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](CO)C(=O)N[C@H](Cc7c[nH]c8ccccc78)C(=O)N9CCC[C@@H]9C(=O)N[C@H](C(C)C)C(=O)N2)C(C)C)[C@@H](C)O)[C@@H](C)O" 
PRD_000734 SMILES           CACTVS               3.370 "CC(C)C[CH]1NC(=O)CNC(=O)[CH](CC(N)=O)NC(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH](NC(=O)[CH]2CSSC[CH]3NC(=O)[CH](NC(=O)CNC(=O)CNC(=O)[CH](NC(=O)[CH]4CSSC[CH](NC(=O)[CH](NC(=O)[CH](CSSC[CH](NC(=O)[CH](NC(=O)[CH]5CCCN5C1=O)C(C)C)C(=O)NCC(=O)N[CH](CCC(O)=O)C(=O)N[CH]([CH](C)O)C(=O)N4)NC(=O)CNC(=O)[CH]6CCCN6C(=O)[CH](NC(=O)[CH](CC(N)=O)NC3=O)[CH](C)O)[CH](C)O)C(=O)N[CH](CO)C(=O)N[CH](Cc7c[nH]c8ccccc78)C(=O)N9CCC[CH]9C(=O)N[CH](C(C)C)C(=O)N2)C(C)C)[CH](C)O)[CH](C)O" 
PRD_000734 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C[C@H]([C@@H]1C(=O)N[C@@H]2CSSC[C@@H]3C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](C(=O)N4CCC[C@@H]4C(=O)N[C@@H](C(=O)N[C@@H]5CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)NCC(=O)NCC(=O)N1)C(C)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC5=O)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N6CCC[C@@H]6C(=O)N[C@@H](C(=O)N3)C(C)C)Cc7c[nH]c8c7cccc8)CO)[C@@H](C)O)NC(=O)CNC(=O)[C@H]9CCCN9C(=O)[C@H](NC(=O)[C@H](NC2=O)CC(=O)N)[C@@H](C)O)C(C)C)CC(C)C)CC(=O)N)CCCNC(=[NH2+])N)[C@@H](C)O)O" 
PRD_000734 SMILES           "OpenEye OEToolkits" 1.7.6 "CC(C)CC1C(=O)N2CCCC2C(=O)NC(C(=O)NC3CSSCC4C(=O)NC(C(=O)NC5CSSCC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC(=O)N)CCCNC(=[NH2+])N)C(C)O)NC(=O)C(NC(=O)C6CCCN6C(=O)C(NC(=O)C(NC5=O)CO)Cc7c[nH]c8c7cccc8)C(C)C)C(=O)NC(C(=O)NC(C(=O)N9CCCC9C(=O)NCC(=O)N4)C(C)O)CC(=O)N)C(C)O)C(C)C)NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCC(=O)O)C(C)O)C(C)O)C(C)C" 
# 
