data_xxxx # _entry.id xxxx # # _cell.length_a 77.243 _cell.length_b 77.243 _cell.length_c 38.656 _cell.angle_alpha 90.000 _cell.angle_beta 90.000 _cell.angle_gamma 90.000 # _symmetry.entry_id xxxx _symmetry.space_group_name_H-M 'P 43 21 2' _symmetry.Int_Tables_number 96 # loop_ _entity.id _entity.type 1 polymer 2 non-polymer 3 non-polymer 4 non-polymer 5 water # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 LYS n 1 2 VAL n 1 3 PHE n 1 4 GLY n 1 5 ARG n 1 6 CYS n 1 7 GLU n 1 8 LEU n 1 9 ALA n 1 10 ALA n 1 11 ALA n 1 12 MET n 1 13 LYS n 1 14 ARG n 1 15 HIS n 1 16 GLY n 1 17 LEU n 1 18 ASP n 1 19 ASN n 1 20 TYR n 1 21 ARG n 1 22 GLY n 1 23 TYR n 1 24 SER n 1 25 LEU n 1 26 GLY n 1 27 ASN n 1 28 TRP n 1 29 VAL n 1 30 CYS n 1 31 ALA n 1 32 ALA n 1 33 LYS n 1 34 PHE n 1 35 GLU n 1 36 SER n 1 37 ASN n 1 38 PHE n 1 39 ASN n 1 40 THR n 1 41 GLN n 1 42 ALA n 1 43 THR n 1 44 ASN n 1 45 ARG n 1 46 ASN n 1 47 THR n 1 48 ASP n 1 49 GLY n 1 50 SER n 1 51 THR n 1 52 ASP n 1 53 TYR n 1 54 GLY n 1 55 ILE n 1 56 LEU n 1 57 GLN n 1 58 ILE n 1 59 ASN n 1 60 SER n 1 61 ARG n 1 62 TRP n 1 63 TRP n 1 64 CYS n 1 65 ASN n 1 66 ASP n 1 67 GLY n 1 68 ARG n 1 69 THR n 1 70 PRO n 1 71 GLY n 1 72 SER n 1 73 ARG n 1 74 ASN n 1 75 LEU n 1 76 CYS n 1 77 ASN n 1 78 ILE n 1 79 PRO n 1 80 CYS n 1 81 SER n 1 82 ALA n 1 83 LEU n 1 84 LEU n 1 85 SER n 1 86 SER n 1 87 ASP n 1 88 ILE n 1 89 THR n 1 90 ALA n 1 91 SER n 1 92 VAL n 1 93 ASN n 1 94 CYS n 1 95 ALA n 1 96 LYS n 1 97 LYS n 1 98 ILE n 1 99 VAL n 1 100 SER n 1 101 ASP n 1 102 GLY n 1 103 ASN n 1 104 GLY n 1 105 MET n 1 106 ASN n 1 107 ALA n 1 108 TRP n 1 109 VAL n 1 110 ALA n 1 111 TRP n 1 112 ARG n 1 113 ASN n 1 114 ARG n 1 115 CYS n 1 116 LYS n 1 117 GLY n 1 118 THR n 1 119 ASP n 1 120 VAL n 1 121 GLN n 1 122 ALA n 1 123 TRP n 1 124 ILE n 1 125 ARG n 1 126 GLY n 1 127 CYS n 1 128 ARG n 1 129 LEU n # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.ptnr1_label_seq_id _struct_conn.pdbx_prtn1_PDB_ins_code _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.ptnr2_label_seq_id _struct_conn.pdbx_prtn2_PDB_ins_code _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_dist_value _struct_conn.ccp4_link_id 1 disulf SG . 6 . CYS AAA . SG . 127 . CYS AAA . . SS 2 disulf SG . 30 . CYS AAA . SG . 115 . CYS AAA . . SS 3 disulf SG . 64 . CYS AAA . SG . 80 . CYS AAA . . SS 4 disulf SG . 76 . CYS AAA . SG . 94 . CYS AAA . . SS # _software.pdbx_ordinal 1 _software.classification refinement _software.contact_author 'Garib N. Murshudov' _software.contact_author_email garib@mrc-lmb.cam.ac.uk _software.description '(un)restrained refinement or idealisation of macromolecular structures' _software.name refmac _software.version '5.8.0258' _software.date '2019-09-10' _refine.details 'Hydrogens have been added in their riding positions' _refine.B_iso_mean 13.708 _refine.aniso_B[1][1] 0.028 _refine.aniso_B[2][2] 0.028 _refine.aniso_B[3][3] -0.055 _refine.aniso_B[1][2] -0.000 _refine.aniso_B[1][3] -0.000 _refine.aniso_B[2][3] -0.000 # _refine.solvent_model_details 'MASK BULK SOLVENT' _refine.pdbx_solvent_vdw_probe_radii 1.200 _refine.pdbx_solvent_ion_probe_radii 0.800 _refine.pdbx_solvent_shrinkage_radii 0.800 _refine.ls_d_res_high 1.400 _refine.ls_d_res_low 38.623 _refine.ls_number_reflns_R_work 21386 _refine.ls_number_reflns_R_free 2208 _refine.ls_number_reflns_obs 23594 _refine.ls_R_factor_R_work 0.0848 _refine.ls_R_factor_R_free 0.0938 _refine.ls_R_factor_all 0.086 _refine.ls_wR_factor_R_work 0.064 _refine.ls_wR_factor_R_free 0.071 _refine.ls_percent_reflns_obs 99.831 _refine.ls_percent_reflns_R_free 9.358 _refine.correlation_coeff_Fo_to_Fc 0.989 _refine.correlation_coeff_Fo_to_Fc_free 0.990 _refine.pdbx_overall_ESU_R 0.033 _refine.pdbx_overall_ESU_R_Free 0.032 _refine.overall_SU_ML 0.023 _refine.overall_SU_B 0.707 _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work 0.9560 _refine.pdbx_average_fsc_free 0.9523 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' # # loop_ _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_low _refine_ls_shell.d_res_high _refine_ls_shell.number_reflns_all _refine_ls_shell.percent_reflns_obs _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.R_factor_all _refine_ls_shell.number_reflns_R_free _refine_ls_shell.R_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free _refine_ls_shell.pdbx_refine_id 4 38.623 2.794 3157 99.8733 2863 0.067 0.067 290 0.068 0.073 0.992 0.994 'X-RAY DIFFRACTION' 4 2.794 1.979 5444 99.9265 4912 0.042 0.044 528 0.055 0.034 0.995 0.993 'X-RAY DIFFRACTION' 4 1.979 1.616 6904 99.9421 6277 0.092 0.094 623 0.107 0.065 0.983 0.982 'X-RAY DIFFRACTION' 4 1.616 1.400 8122 99.6676 7330 0.215 0.217 765 0.231 0.186 0.893 0.885 'X-RAY DIFFRACTION' # loop_ _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.pdbx_refine_id r_bond_refined_d 1081 0.013 0.013 'X-RAY DIFFRACTION' r_bond_other_d 960 0.001 0.018 'X-RAY DIFFRACTION' r_angle_refined_deg 1461 1.950 1.652 'X-RAY DIFFRACTION' r_angle_other_deg 2223 1.597 1.582 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 128 3.269 5.000 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 61 30.095 20.656 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 166 10.934 15.000 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 11 14.118 15.000 'X-RAY DIFFRACTION' r_chiral_restr 136 0.100 0.200 'X-RAY DIFFRACTION' r_gen_planes_refined 1211 0.008 0.020 'X-RAY DIFFRACTION' r_gen_planes_other 246 0.002 0.020 'X-RAY DIFFRACTION' r_nbd_refined 281 0.228 0.200 'X-RAY DIFFRACTION' r_symmetry_nbd_other 988 0.202 0.200 'X-RAY DIFFRACTION' r_nbtor_refined 542 0.179 0.200 'X-RAY DIFFRACTION' r_symmetry_nbtor_other 483 0.106 0.200 'X-RAY DIFFRACTION' r_xyhbond_nbd_refined 93 0.170 0.200 'X-RAY DIFFRACTION' r_metal_ion_refined 6 0.117 0.200 'X-RAY DIFFRACTION' r_symmetry_nbd_refined 12 0.225 0.200 'X-RAY DIFFRACTION' r_nbd_other 50 0.192 0.200 'X-RAY DIFFRACTION' r_symmetry_xyhbond_nbd_refined 9 0.212 0.200 'X-RAY DIFFRACTION' r_mcbond_it 514 0.646 1.323 'X-RAY DIFFRACTION' r_mcbond_other 514 0.646 1.323 'X-RAY DIFFRACTION' r_mcangle_it 642 0.746 1.986 'X-RAY DIFFRACTION' r_mcangle_other 643 0.746 1.989 'X-RAY DIFFRACTION' r_scbond_it 566 1.049 1.454 'X-RAY DIFFRACTION' r_scbond_other 567 1.048 1.454 'X-RAY DIFFRACTION' r_scangle_it 819 1.348 2.149 'X-RAY DIFFRACTION' r_scangle_other 820 1.347 2.150 'X-RAY DIFFRACTION' r_lrange_it 1358 3.369 17.009 'X-RAY DIFFRACTION' r_lrange_other 1332 3.144 16.645 'X-RAY DIFFRACTION' # # # Sum of Gaussians is used for scattering factors # Mott-Bethe formula is used for scattering factors _ccp4_form_factor.scat_method 'Sum of Gaussians' loop_ _atom_type.symbol _atom_type.scat_Z _atom_type.N_electrons _atom_type.scat_Cromer_Mann_a1 _atom_type.scat_Cromer_Mann_b1 _atom_type.scat_Cromer_Mann_a2 _atom_type.scat_Cromer_Mann_b2 _atom_type.scat_Cromer_Mann_a3 _atom_type.scat_Cromer_Mann_b3 _atom_type.scat_Cromer_Mann_a4 _atom_type.scat_Cromer_Mann_b4 _atom_type.scat_Cromer_Mann_c N 7 7 12.222 0.006 3.135 9.893 2.014 28.997 1.167 0.583 -11.538 H 1 1 0.493 10.511 0.323 26.126 0.140 3.142 0.041 57.800 0.003 C 6 6 2.310 20.844 1.020 10.208 1.589 0.569 0.865 51.651 0.216 O 8 8 3.049 13.277 2.287 5.701 1.546 0.324 0.867 32.909 0.251 S 16 16 6.905 1.468 5.203 22.215 1.438 0.254 1.586 56.172 1.056 CL 17 17 11.460 0.010 7.196 1.166 6.255 18.519 1.645 47.778 -9.338 GD 64 64 25.084 2.253 19.089 0.182 13.859 12.933 3.547 101.398 1.425 # _ccp4_reflns_twin.number_of_domains 1 # _ccp4_refine_ls.jelly_body no _ccp4_refine.details "U values: refined individually" # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_atom_name _atom_site.pdbx_PDB_ins_code _atom_site.pdbx_PDB_residue_name _atom_site.pdbx_PDB_residue_no _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.calc_flag _atom_site.pdbx_PDB_model_num ATOM 1 N N . LYS AAA 1 1 N . LYS 1 2.270 9.245 10.892 1.000 13.531 . 1 LYS AAA N . 1 ATOM 2 H H . LYS AAA 1 1 H . LYS 1 1.866 8.835 11.598 1.000 13.568 . 1 LYS AAA H c 1 ATOM 3 H H2 . LYS AAA 1 1 H2 . LYS 1 2.733 10.026 11.204 1.000 13.568 . 1 LYS AAA H2 c 1 ATOM 4 H H3 . LYS AAA 1 1 H3 . LYS 1 2.904 8.640 10.499 1.000 13.568 . 1 LYS AAA H3 c 1 ATOM 5 C CA . LYS AAA 1 1 CA . LYS 1 1.268 9.618 9.880 1.000 13.652 . 1 LYS AAA CA . 1 ATOM 6 H HA . LYS AAA 1 1 HA . LYS 1 1.476 9.141 9.045 1.000 13.555 . 1 LYS AAA HA c 1 ATOM 7 C CB A LYS AAA 1 1 CB . LYS 1 -0.142 9.233 10.334 0.500 13.483 . 1 LYS AAA CB . 1 ATOM 8 H HB3 . LYS AAA 1 1 HB3 . LYS 1 -0.286 9.595 11.233 0.500 13.468 . 1 LYS AAA HB3 c 1 ATOM 9 H HB2 . LYS AAA 1 1 HB2 . LYS 1 -0.188 8.256 10.398 0.500 13.468 . 1 LYS AAA HB2 c 1 ATOM 10 C CG A LYS AAA 1 1 CG . LYS 1 -1.274 9.705 9.445 0.500 13.252 . 1 LYS AAA CG . 1 ATOM 11 H HG3 . LYS AAA 1 1 HG3 . LYS 1 -1.088 9.427 8.522 0.500 13.388 . 1 LYS AAA HG3 c 1 ATOM 12 H HG2 . LYS AAA 1 1 HG2 . LYS 1 -1.304 10.685 9.463 0.500 13.389 . 1 LYS AAA HG2 c 1 ATOM 13 C CD A LYS AAA 1 1 CD . LYS 1 -2.633 9.165 9.858 0.500 13.604 . 1 LYS AAA CD . 1 ATOM 14 H HD3 . LYS AAA 1 1 HD3 . LYS 1 -2.833 9.446 10.776 0.500 13.639 . 1 LYS AAA HD3 c 1 ATOM 15 H HD2 . LYS AAA 1 1 HD2 . LYS 1 -2.619 8.184 9.830 0.500 13.639 . 1 LYS AAA HD2 c 1 ATOM 16 C CE A LYS AAA 1 1 CE . LYS 1 -3.704 9.679 8.930 0.500 14.116 . 1 LYS AAA CE . 1 ATOM 17 H HE3 . LYS AAA 1 1 HE3 . LYS 1 -3.661 10.653 8.887 0.500 13.858 . 1 LYS AAA HE3 c 1 ATOM 18 H HE2 . LYS AAA 1 1 HE2 . LYS 1 -4.583 9.429 9.273 0.500 13.858 . 1 LYS AAA HE2 c 1 ATOM 19 N NZ A LYS AAA 1 1 NZ . LYS 1 -3.545 9.128 7.562 0.500 13.543 . 1 LYS AAA NZ . 1 ATOM 20 H HZ1 . LYS AAA 1 1 HZ1 . LYS 1 -2.739 9.372 7.224 0.500 13.717 . 1 LYS AAA HZ1 c 1 ATOM 21 H HZ2 . LYS AAA 1 1 HZ2 . LYS 1 -4.202 9.448 7.023 0.500 13.717 . 1 LYS AAA HZ2 c 1 ATOM 22 H HZ3 . LYS AAA 1 1 HZ3 . LYS 1 -3.596 8.223 7.587 0.500 13.717 . 1 LYS AAA HZ3 c 1 ATOM 23 C C . LYS AAA 1 1 C . LYS 1 1.328 11.130 9.618 1.000 13.431 . 1 LYS AAA C . 1 ATOM 24 O O . LYS AAA 1 1 O . LYS 1 1.287 11.946 10.543 1.000 13.487 . 1 LYS AAA O . 1 ATOM 26 N N . VAL AAA 1 2 N . VAL 2 1.388 11.517 8.362 1.000 13.829 . 2 VAL AAA N . 1 ATOM 27 H H . VAL AAA 1 2 H . VAL 2 1.440 10.943 7.657 1.000 13.493 . 2 VAL AAA H c 1 ATOM 28 C CA . VAL AAA 1 2 CA . VAL 2 1.375 12.960 7.989 1.000 12.821 . 2 VAL AAA CA . 1 ATOM 29 H HA . VAL AAA 1 2 HA . VAL 2 1.526 13.496 8.785 1.000 13.478 . 2 VAL AAA HA c 1 ATOM 30 C CB . VAL AAA 1 2 CB . VAL 2 2.431 13.319 6.941 1.000 14.233 . 2 VAL AAA CB . 1 ATOM 31 H HB . VAL AAA 1 2 HB . VAL 2 2.289 12.747 6.147 1.000 14.346 . 2 VAL AAA HB c 1 ATOM 32 C CG1 . VAL AAA 1 2 CG1 . VAL 2 2.302 14.764 6.526 1.000 15.185 . 2 VAL AAA CG1 . 1 ATOM 33 H HG11 . VAL AAA 1 2 HG11 . VAL 2 1.451 14.901 6.074 1.000 14.884 . 2 VAL AAA HG11 c 1 ATOM 34 H HG12 . VAL AAA 1 2 HG12 . VAL 2 3.029 14.994 5.921 1.000 14.886 . 2 VAL AAA HG12 c 1 ATOM 35 H HG13 . VAL AAA 1 2 HG13 . VAL 2 2.345 15.334 7.314 1.000 14.886 . 2 VAL AAA HG13 c 1 ATOM 36 C CG2 . VAL AAA 1 2 CG2 . VAL 2 3.801 13.048 7.492 1.000 15.438 . 2 VAL AAA CG2 . 1 ATOM 37 H HG21 . VAL AAA 1 2 HG21 . VAL 2 3.935 13.573 8.300 1.000 15.057 . 2 VAL AAA HG21 c 1 ATOM 38 H HG22 . VAL AAA 1 2 HG22 . VAL 2 4.471 13.294 6.831 1.000 15.057 . 2 VAL AAA HG22 c 1 ATOM 39 H HG23 . VAL AAA 1 2 HG23 . VAL 2 3.886 12.102 7.702 1.000 15.055 . 2 VAL AAA HG23 c 1 ATOM 40 C C . VAL AAA 1 2 C . VAL 2 -0.042 13.219 7.469 1.000 13.929 . 2 VAL AAA C . 1 ATOM 41 O O . VAL AAA 1 2 O . VAL 2 -0.423 12.737 6.376 1.000 12.746 . 2 VAL AAA O . 1 ATOM 43 N N . PHE AAA 1 3 N . PHE 3 -0.806 13.987 8.221 1.000 14.387 . 3 PHE AAA N . 1 ATOM 44 H H . PHE AAA 1 3 H . PHE 3 -0.526 14.396 8.985 1.000 13.953 . 3 PHE AAA H c 1 ATOM 45 C CA . PHE AAA 1 3 CA . PHE 3 -2.211 14.268 7.892 1.000 13.074 . 3 PHE AAA CA . 1 ATOM 46 H HA . PHE AAA 1 3 HA . PHE 3 -2.646 13.442 7.560 1.000 13.624 . 3 PHE AAA HA c 1 ATOM 47 C CB . PHE AAA 1 3 CB . PHE 3 -2.989 14.804 9.095 1.000 13.383 . 3 PHE AAA CB . 1 ATOM 48 H HB3 . PHE AAA 1 3 HB3 . PHE 3 -3.743 15.335 8.763 1.000 13.433 . 3 PHE AAA HB3 c 1 ATOM 49 H HB2 . PHE AAA 1 3 HB2 . PHE 3 -2.403 15.406 9.600 1.000 13.434 . 3 PHE AAA HB2 c 1 ATOM 50 C CG . PHE AAA 1 3 CG . PHE 3 -3.511 13.762 10.018 1.000 13.916 . 3 PHE AAA CG . 1 ATOM 51 C CD1 . PHE AAA 1 3 CD1 . PHE 3 -2.640 13.052 10.843 1.000 13.302 . 3 PHE AAA CD1 . 1 ATOM 52 H HD1 . PHE AAA 1 3 HD1 . PHE 3 -1.716 13.248 10.829 1.000 13.613 . 3 PHE AAA HD1 c 1 ATOM 53 C CE1 . PHE AAA 1 3 CE1 . PHE 3 -3.138 12.096 11.732 1.000 13.908 . 3 PHE AAA CE1 . 1 ATOM 54 H HE1 . PHE AAA 1 3 HE1 . PHE 3 -2.542 11.620 12.286 1.000 13.707 . 3 PHE AAA HE1 c 1 ATOM 55 C CZ . PHE AAA 1 3 CZ . PHE 3 -4.491 11.805 11.776 1.000 13.607 . 3 PHE AAA CZ . 1 ATOM 56 H HZ . PHE AAA 1 3 HZ . PHE 3 -4.821 11.144 12.364 1.000 13.918 . 3 PHE AAA HZ c 1 ATOM 57 C CD2 . PHE AAA 1 3 CD2 . PHE 3 -4.874 13.466 10.070 1.000 13.914 . 3 PHE AAA CD2 . 1 ATOM 58 H HD2 . PHE AAA 1 3 HD2 . PHE 3 -5.474 13.935 9.516 1.000 14.062 . 3 PHE AAA HD2 c 1 ATOM 59 C CE2 . PHE AAA 1 3 CE2 . PHE 3 -5.351 12.497 10.942 1.000 14.712 . 3 PHE AAA CE2 . 1 ATOM 60 H HE2 . PHE AAA 1 3 HE2 . PHE 3 -6.276 12.312 10.969 1.000 14.213 . 3 PHE AAA HE2 c 1 ATOM 61 C C . PHE AAA 1 3 C . PHE 3 -2.301 15.356 6.818 1.000 14.407 . 3 PHE AAA C . 1 ATOM 62 O O . PHE AAA 1 3 O . PHE 3 -1.419 16.218 6.684 1.000 13.673 . 3 PHE AAA O . 1 ATOM 64 N N . GLY AAA 1 4 N . GLY 4 -3.403 15.298 6.067 1.000 13.928 . 4 GLY AAA N . 1 ATOM 65 H H . GLY AAA 1 4 H . GLY 4 -3.999 14.611 6.107 1.000 13.861 . 4 GLY AAA H c 1 ATOM 66 C CA . GLY AAA 1 4 CA . GLY 4 -3.716 16.345 5.111 1.000 13.217 . 4 GLY AAA CA . 1 ATOM 67 H HA3 . GLY AAA 1 4 HA3 . GLY 4 -4.341 16.006 4.424 1.000 13.428 . 4 GLY AAA HA3 c 1 ATOM 68 H HA2 . GLY AAA 1 4 HA2 . GLY 4 -2.889 16.686 4.686 1.000 13.430 . 4 GLY AAA HA2 c 1 ATOM 69 C C . GLY AAA 1 4 C . GLY 4 -4.366 17.412 5.948 1.000 13.414 . 4 GLY AAA C . 1 ATOM 70 O O . GLY AAA 1 4 O . GLY 4 -4.842 17.076 7.040 1.000 13.102 . 4 GLY AAA O . 1 ATOM 72 N N . ARG AAA 1 5 N . ARG 5 -4.365 18.649 5.478 1.000 12.435 . 5 ARG AAA N . 1 ATOM 73 H H . ARG AAA 1 5 H . ARG 5 -4.013 18.892 4.674 1.000 12.745 . 5 ARG AAA H c 1 ATOM 74 C CA . ARG AAA 1 5 CA . ARG 5 -4.970 19.743 6.285 1.000 12.789 . 5 ARG AAA CA . 1 ATOM 75 H HA . ARG AAA 1 5 HA . ARG 5 -4.451 19.846 7.116 1.000 12.739 . 5 ARG AAA HA c 1 ATOM 76 C CB . ARG AAA 1 5 CB . ARG 5 -4.870 21.040 5.467 1.000 12.862 . 5 ARG AAA CB . 1 ATOM 77 H HB3 . ARG AAA 1 5 HB3 . ARG 5 -5.334 20.906 4.614 1.000 13.395 . 5 ARG AAA HB3 c 1 ATOM 78 H HB2 . ARG AAA 1 5 HB2 . ARG 5 -3.926 21.213 5.271 1.000 13.409 . 5 ARG AAA HB2 c 1 ATOM 79 C CG . ARG AAA 1 5 CG . ARG 5 -5.457 22.261 6.158 1.000 15.304 . 5 ARG AAA CG . 1 ATOM 80 H HG3 . ARG AAA 1 5 HG3 . ARG 5 -5.057 22.362 7.048 1.000 14.803 . 5 ARG AAA HG3 c 1 ATOM 81 H HG2 . ARG AAA 1 5 HG2 . ARG 5 -6.426 22.150 6.264 1.000 14.800 . 5 ARG AAA HG2 c 1 ATOM 82 C CD . ARG AAA 1 5 CD . ARG 5 -5.177 23.519 5.328 1.000 15.818 . 5 ARG AAA CD . 1 ATOM 83 H HD3 . ARG AAA 1 5 HD3 . ARG 5 -4.208 23.629 5.242 1.000 16.242 . 5 ARG AAA HD3 c 1 ATOM 84 H HD2 . ARG AAA 1 5 HD2 . ARG 5 -5.523 24.304 5.800 1.000 16.244 . 5 ARG AAA HD2 c 1 ATOM 85 N NE . ARG AAA 1 5 NE . ARG 5 -5.759 23.458 3.993 1.000 18.288 . 5 ARG AAA NE . 1 ATOM 86 H HE . ARG AAA 1 5 HE . ARG 5 -5.248 23.184 3.341 1.000 17.291 . 5 ARG AAA HE c 1 ATOM 87 C CZ . ARG AAA 1 5 CZ . ARG 5 -7.007 23.838 3.682 1.000 16.739 . 5 ARG AAA CZ . 1 ATOM 88 N NH1 . ARG AAA 1 5 NH1 . ARG 5 -7.810 24.258 4.629 1.000 16.604 . 5 ARG AAA NH1 . 1 ATOM 89 H HH11 . ARG AAA 1 5 HH11 . ARG 5 -7.528 24.312 5.455 1.000 16.686 . 5 ARG AAA HH11 c 1 ATOM 90 H HH12 . ARG AAA 1 5 HH12 . ARG 5 -8.632 24.498 4.430 1.000 16.690 . 5 ARG AAA HH12 c 1 ATOM 91 N NH2 . ARG AAA 1 5 NH2 . ARG 5 -7.459 23.753 2.430 1.000 17.568 . 5 ARG AAA NH2 . 1 ATOM 92 H HH21 . ARG AAA 1 5 HH21 . ARG 5 -6.927 23.464 1.790 1.000 17.275 . 5 ARG AAA HH21 c 1 ATOM 93 H HH22 . ARG AAA 1 5 HH22 . ARG 5 -8.286 23.994 2.243 1.000 17.275 . 5 ARG AAA HH22 c 1 ATOM 94 C C . ARG AAA 1 5 C . ARG 5 -6.439 19.436 6.646 1.000 12.811 . 5 ARG AAA C . 1 ATOM 95 O O . ARG AAA 1 5 O . ARG 5 -6.824 19.483 7.826 1.000 13.360 . 5 ARG AAA O . 1 ATOM 97 N N . CYS AAA 1 6 N . CYS 6 -7.293 19.195 5.664 1.000 13.014 . 6 CYS AAA N . 1 ATOM 98 H H . CYS AAA 1 6 H . CYS 6 -7.081 19.173 4.778 1.000 13.097 . 6 CYS AAA H c 1 ATOM 99 C CA . CYS AAA 1 6 CA . CYS 6 -8.751 18.926 5.949 1.000 13.540 . 6 CYS AAA CA . 1 ATOM 100 H HA . CYS AAA 1 6 HA . CYS 6 -9.084 19.658 6.514 1.000 13.433 . 6 CYS AAA HA c 1 ATOM 101 C CB . CYS AAA 1 6 CB . CYS 6 -9.534 18.939 4.645 1.000 15.151 . 6 CYS AAA CB . 1 ATOM 102 H HB3 . CYS AAA 1 6 HB3 . CYS 6 -10.449 18.639 4.822 1.000 15.106 . 6 CYS AAA HB3 c 1 ATOM 103 H HB2 . CYS AAA 1 6 HB2 . CYS 6 -9.127 18.301 4.024 1.000 15.107 . 6 CYS AAA HB2 c 1 ATOM 104 S SG . CYS AAA 1 6 SG . CYS 6 -9.616 20.572 3.822 1.000 16.777 . 6 CYS AAA SG . 1 ATOM 105 C C . CYS AAA 1 6 C . CYS 6 -8.940 17.623 6.706 1.000 12.046 . 6 CYS AAA C . 1 ATOM 106 O O . CYS AAA 1 6 O . CYS 6 -9.882 17.493 7.473 1.000 12.514 . 6 CYS AAA O . 1 ATOM 108 N N . GLU AAA 1 7 N . GLU 7 -8.089 16.650 6.409 1.000 12.396 . 7 GLU AAA N . 1 ATOM 109 H H . GLU AAA 1 7 H . GLU 7 -7.445 16.725 5.769 1.000 12.378 . 7 GLU AAA H c 1 ATOM 110 C CA . GLU AAA 1 7 CA . GLU 7 -8.127 15.348 7.089 1.000 12.654 . 7 GLU AAA CA . 1 ATOM 111 H HA . GLU AAA 1 7 HA . GLU 7 -9.008 14.944 6.944 1.000 12.494 . 7 GLU AAA HA c 1 ATOM 112 C CB . GLU AAA 1 7 CB . GLU 7 -7.064 14.431 6.511 1.000 12.703 . 7 GLU AAA CB . 1 ATOM 113 H HB3 . GLU AAA 1 7 HB3 . GLU 7 -6.192 14.866 6.603 1.000 12.837 . 7 GLU AAA HB3 c 1 ATOM 114 H HB2 . GLU AAA 1 7 HB2 . GLU 7 -7.241 14.305 5.555 1.000 12.833 . 7 GLU AAA HB2 c 1 ATOM 115 C CG . GLU AAA 1 7 CG . GLU 7 -7.017 13.060 7.199 1.000 13.313 . 7 GLU AAA CG . 1 ATOM 116 H HG3 . GLU AAA 1 7 HG3 . GLU 7 -7.872 12.600 7.055 1.000 13.086 . 7 GLU AAA HG3 c 1 ATOM 117 H HG2 . GLU AAA 1 7 HG2 . GLU 7 -6.903 13.182 8.162 1.000 13.052 . 7 GLU AAA HG2 c 1 ATOM 118 C CD . GLU AAA 1 7 CD . GLU 7 -5.893 12.170 6.682 1.000 12.784 . 7 GLU AAA CD . 1 ATOM 119 O OE1 . GLU AAA 1 7 OE1 . GLU 7 -4.933 12.719 6.129 1.000 14.181 . 7 GLU AAA OE1 . 1 ATOM 120 O OE2 . GLU AAA 1 7 OE2 . GLU 7 -6.077 10.935 6.712 1.000 15.075 . 7 GLU AAA OE2 . 1 ATOM 121 C C . GLU AAA 1 7 C . GLU 7 -7.941 15.579 8.584 1.000 12.038 . 7 GLU AAA C . 1 ATOM 122 O O . GLU AAA 1 7 O . GLU 7 -8.682 15.014 9.382 1.000 12.576 . 7 GLU AAA O . 1 ATOM 124 N N . LEU AAA 1 8 N . LEU 8 -6.956 16.388 8.936 1.000 12.140 . 8 LEU AAA N . 1 ATOM 125 H H . LEU AAA 1 8 H . LEU 8 -6.411 16.818 8.346 1.000 11.953 . 8 LEU AAA H c 1 ATOM 126 C CA . LEU AAA 1 8 CA . LEU 8 -6.672 16.636 10.361 1.000 11.454 . 8 LEU AAA CA . 1 ATOM 127 H HA . LEU AAA 1 8 HA . LEU 8 -6.620 15.770 10.824 1.000 11.459 . 8 LEU AAA HA c 1 ATOM 128 C CB . LEU AAA 1 8 CB . LEU 8 -5.374 17.411 10.569 1.000 11.558 . 8 LEU AAA CB . 1 ATOM 129 H HB3 . LEU AAA 1 8 HB3 . LEU 8 -5.444 18.262 10.093 1.000 11.814 . 8 LEU AAA HB3 c 1 ATOM 130 H HB2 . LEU AAA 1 8 HB2 . LEU 8 -4.644 16.904 10.162 1.000 11.821 . 8 LEU AAA HB2 c 1 ATOM 131 C CG . LEU AAA 1 8 CG . LEU 8 -5.011 17.698 12.027 1.000 12.808 . 8 LEU AAA CG . 1 ATOM 132 H HG . LEU AAA 1 8 HG . LEU 8 -5.722 18.256 12.427 1.000 12.160 . 8 LEU AAA HG c 1 ATOM 133 C CD1 . LEU AAA 1 8 CD1 . LEU 8 -4.884 16.408 12.844 1.000 12.036 . 8 LEU AAA CD1 . 1 ATOM 134 H HD11 . LEU AAA 1 8 HD11 . LEU 8 -5.749 15.967 12.896 1.000 12.265 . 8 LEU AAA HD11 c 1 ATOM 135 H HD12 . LEU AAA 1 8 HD12 . LEU 8 -4.578 16.623 13.743 1.000 12.268 . 8 LEU AAA HD12 c 1 ATOM 136 H HD13 . LEU AAA 1 8 HD13 . LEU 8 -4.241 15.815 12.417 1.000 12.268 . 8 LEU AAA HD13 c 1 ATOM 137 C CD2 . LEU AAA 1 8 CD2 . LEU 8 -3.694 18.475 12.089 1.000 11.512 . 8 LEU AAA CD2 . 1 ATOM 138 H HD21 . LEU AAA 1 8 HD21 . LEU 8 -2.986 17.948 11.681 1.000 11.896 . 8 LEU AAA HD21 c 1 ATOM 139 H HD22 . LEU AAA 1 8 HD22 . LEU 8 -3.468 18.658 13.018 1.000 11.896 . 8 LEU AAA HD22 c 1 ATOM 140 H HD23 . LEU AAA 1 8 HD23 . LEU 8 -3.790 19.316 11.608 1.000 11.896 . 8 LEU AAA HD23 c 1 ATOM 141 C C . LEU AAA 1 8 C . LEU 8 -7.808 17.445 10.955 1.000 10.700 . 8 LEU AAA C . 1 ATOM 142 O O . LEU AAA 1 8 O . LEU 8 -8.212 17.149 12.104 1.000 12.056 . 8 LEU AAA O . 1 ATOM 144 N N . ALA AAA 1 9 N . ALA 9 -8.331 18.418 10.212 1.000 12.751 . 9 ALA AAA N . 1 ATOM 145 H H . ALA AAA 1 9 H . ALA 9 -8.066 18.648 9.371 1.000 11.895 . 9 ALA AAA H c 1 ATOM 146 C CA . ALA AAA 1 9 CA . ALA 9 -9.433 19.245 10.742 1.000 11.307 . 9 ALA AAA CA . 1 ATOM 147 H HA . ALA AAA 1 9 HA . ALA 9 -9.125 19.693 11.564 1.000 11.854 . 9 ALA AAA HA c 1 ATOM 148 C CB . ALA AAA 1 9 CB . ALA 9 -9.840 20.301 9.721 1.000 11.988 . 9 ALA AAA CB . 1 ATOM 149 H HB3 . ALA AAA 1 9 HB3 . ALA 9 -10.134 19.867 8.902 1.000 11.774 . 9 ALA AAA HB3 c 1 ATOM 150 H HB2 . ALA AAA 1 9 HB2 . ALA 9 -9.081 20.876 9.527 1.000 11.774 . 9 ALA AAA HB2 c 1 ATOM 151 H HB1 . ALA AAA 1 9 HB1 . ALA 9 -10.567 20.838 10.080 1.000 11.774 . 9 ALA AAA HB1 c 1 ATOM 152 C C . ALA AAA 1 9 C . ALA 9 -10.619 18.355 11.084 1.000 12.120 . 9 ALA AAA C . 1 ATOM 153 O O . ALA AAA 1 9 O . ALA 9 -11.252 18.522 12.125 1.000 11.520 . 9 ALA AAA O . 1 ATOM 155 N N . ALA AAA 1 10 N . ALA 10 -10.947 17.424 10.185 1.000 12.308 . 10 ALA AAA N . 1 ATOM 156 H H . ALA AAA 1 10 H . ALA 10 -10.522 17.290 9.391 1.000 12.266 . 10 ALA AAA H c 1 ATOM 157 C CA . ALA AAA 1 10 CA . ALA 10 -12.069 16.516 10.412 1.000 12.325 . 10 ALA AAA CA . 1 ATOM 158 H HA . ALA AAA 1 10 HA . ALA 10 -12.878 17.053 10.582 1.000 12.213 . 10 ALA AAA HA c 1 ATOM 159 C CB . ALA AAA 1 10 CB . ALA 10 -12.281 15.688 9.145 1.000 11.797 . 10 ALA AAA CB . 1 ATOM 160 H HB3 . ALA AAA 1 10 HB3 . ALA 10 -11.481 15.170 8.956 1.000 11.958 . 10 ALA AAA HB3 c 1 ATOM 161 H HB2 . ALA AAA 1 10 HB2 . ALA 10 -12.465 16.281 8.396 1.000 11.957 . 10 ALA AAA HB2 c 1 ATOM 162 H HB1 . ALA AAA 1 10 HB1 . ALA 10 -13.033 15.086 9.272 1.000 11.957 . 10 ALA AAA HB1 c 1 ATOM 163 C C . ALA AAA 1 10 C . ALA 10 -11.796 15.645 11.641 1.000 12.188 . 10 ALA AAA C . 1 ATOM 164 O O . ALA AAA 1 10 O . ALA 10 -12.717 15.412 12.435 1.000 12.075 . 10 ALA AAA O . 1 ATOM 166 N N . ALA AAA 1 11 N . ALA 11 -10.577 15.143 11.809 1.000 12.309 . 11 ALA AAA N . 1 ATOM 167 H H . ALA AAA 1 11 H . ALA 11 -9.869 15.291 11.255 1.000 12.308 . 11 ALA AAA H c 1 ATOM 168 C CA . ALA AAA 1 11 CA . ALA 11 -10.258 14.259 12.958 1.000 12.426 . 11 ALA AAA CA . 1 ATOM 169 H HA . ALA AAA 1 11 HA . ALA 11 -10.912 13.522 12.984 1.000 12.406 . 11 ALA AAA HA c 1 ATOM 170 C CB . ALA AAA 1 11 CB . ALA 11 -8.854 13.679 12.803 1.000 12.508 . 11 ALA AAA CB . 1 ATOM 171 H HB3 . ALA AAA 1 11 HB3 . ALA 11 -8.205 14.403 12.769 1.000 12.486 . 11 ALA AAA HB3 c 1 ATOM 172 H HB2 . ALA AAA 1 11 HB2 . ALA 11 -8.804 13.162 11.982 1.000 12.494 . 11 ALA AAA HB2 c 1 ATOM 173 H HB1 . ALA AAA 1 11 HB1 . ALA 11 -8.655 13.103 13.560 1.000 12.486 . 11 ALA AAA HB1 c 1 ATOM 174 C C . ALA AAA 1 11 C . ALA 11 -10.376 15.070 14.249 1.000 12.302 . 11 ALA AAA C . 1 ATOM 175 O O . ALA AAA 1 11 O . ALA 11 -10.911 14.560 15.250 1.000 12.709 . 11 ALA AAA O . 1 ATOM 177 N N . MET AAA 1 12 N . MET 12 -9.863 16.312 14.249 1.000 12.186 . 12 MET AAA N . 1 ATOM 178 H H . MET AAA 1 12 H . MET 12 -9.474 16.704 13.525 1.000 12.343 . 12 MET AAA H c 1 ATOM 179 C CA . MET AAA 1 12 CA . MET 12 -9.895 17.130 15.471 1.000 12.726 . 12 MET AAA CA . 1 ATOM 180 H HA . MET AAA 1 12 HA . MET 12 -9.514 16.607 16.214 1.000 12.722 . 12 MET AAA HA c 1 ATOM 181 C CB . MET AAA 1 12 CB . MET 12 -9.098 18.409 15.276 1.000 13.298 . 12 MET AAA CB . 1 ATOM 182 H HB3 . MET AAA 1 12 HB3 . MET 12 -9.287 19.014 16.021 1.000 13.049 . 12 MET AAA HB3 c 1 ATOM 183 H HB2 . MET AAA 1 12 HB2 . MET 12 -9.399 18.844 14.455 1.000 13.042 . 12 MET AAA HB2 c 1 ATOM 184 C CG . MET AAA 1 12 CG . MET 12 -7.586 18.179 15.193 1.000 12.833 . 12 MET AAA CG . 1 ATOM 185 H HG3 . MET AAA 1 12 HG3 . MET 12 -7.380 17.555 14.466 1.000 12.914 . 12 MET AAA HG3 c 1 ATOM 186 H HG2 . MET AAA 1 12 HG2 . MET 12 -7.259 17.798 16.036 1.000 12.916 . 12 MET AAA HG2 c 1 ATOM 187 S SD . MET AAA 1 12 SD . MET 12 -6.772 19.757 14.888 1.000 12.730 . 12 MET AAA SD . 1 ATOM 188 C CE . MET AAA 1 12 CE . MET 12 -5.140 19.475 15.593 1.000 14.375 . 12 MET AAA CE . 1 ATOM 189 H HE3 . MET AAA 1 12 HE3 . MET 12 -4.720 18.732 15.142 1.000 13.845 . 12 MET AAA HE3 c 1 ATOM 190 H HE2 . MET AAA 1 12 HE2 . MET 12 -5.227 19.275 16.533 1.000 13.845 . 12 MET AAA HE2 c 1 ATOM 191 H HE1 . MET AAA 1 12 HE1 . MET 12 -4.601 20.267 15.480 1.000 13.837 . 12 MET AAA HE1 c 1 ATOM 192 C C . MET AAA 1 12 C . MET 12 -11.335 17.503 15.809 1.000 12.699 . 12 MET AAA C . 1 ATOM 193 O O . MET AAA 1 12 O . MET 12 -11.693 17.510 17.009 1.000 13.082 . 12 MET AAA O . 1 ATOM 195 N N . LYS AAA 1 13 N . LYS 13 -12.169 17.761 14.800 1.000 12.895 . 13 LYS AAA N . 1 ATOM 196 H H . LYS AAA 1 13 H . LYS 13 -11.916 17.739 13.925 1.000 13.127 . 13 LYS AAA H c 1 ATOM 197 C CA . LYS AAA 1 13 CA . LYS 13 -13.600 18.122 15.023 1.000 14.096 . 13 LYS AAA CA . 1 ATOM 198 H HA . LYS AAA 1 13 HA . LYS 13 -13.643 18.859 15.672 1.000 14.050 . 13 LYS AAA HA c 1 ATOM 199 C CB . LYS AAA 1 13 CB . LYS 13 -14.228 18.566 13.712 1.000 14.729 . 13 LYS AAA CB . 1 ATOM 200 H HB3 . LYS AAA 1 13 HB3 . LYS 13 -14.104 17.859 13.045 1.000 14.849 . 13 LYS AAA HB3 c 1 ATOM 201 H HB2 . LYS AAA 1 13 HB2 . LYS 13 -13.766 19.370 13.395 1.000 14.841 . 13 LYS AAA HB2 c 1 ATOM 202 C CG . LYS AAA 1 13 CG . LYS 13 -15.706 18.865 13.842 1.000 15.964 . 13 LYS AAA CG . 1 ATOM 203 H HG3 . LYS AAA 1 13 HG3 . LYS 13 -15.854 19.390 14.656 1.000 15.725 . 13 LYS AAA HG3 c 1 ATOM 204 H HG2 . LYS AAA 1 13 HG2 . LYS 13 -16.195 18.020 13.936 1.000 15.725 . 13 LYS AAA HG2 c 1 ATOM 205 C CD . LYS AAA 1 13 CD . LYS 13 -16.254 19.615 12.669 1.000 16.239 . 13 LYS AAA CD . 1 ATOM 206 H HD3 . LYS AAA 1 13 HD3 . LYS 13 -16.166 19.069 11.858 1.000 16.654 . 13 LYS AAA HD3 c 1 ATOM 207 H HD2 . LYS AAA 1 13 HD2 . LYS 13 -15.747 20.445 12.543 1.000 16.668 . 13 LYS AAA HD2 c 1 ATOM 208 C CE . LYS AAA 1 13 CE . LYS 13 -17.718 19.946 12.898 1.000 18.370 . 13 LYS AAA CE . 1 ATOM 209 H HE3 . LYS AAA 1 13 HE3 . LYS 13 -17.805 20.478 13.712 1.000 18.145 . 13 LYS AAA HE3 c 1 ATOM 210 H HE2 . LYS AAA 1 13 HE2 . LYS 13 -18.220 19.119 13.027 1.000 18.145 . 13 LYS AAA HE2 c 1 ATOM 211 N NZ . LYS AAA 1 13 NZ . LYS 13 -18.315 20.695 11.779 1.000 19.722 . 13 LYS AAA NZ . 1 ATOM 212 H HZ1 . LYS AAA 1 13 HZ1 . LYS 13 -17.921 21.509 11.710 1.000 19.298 . 13 LYS AAA HZ1 c 1 ATOM 213 H HZ2 . LYS AAA 1 13 HZ2 . LYS 13 -19.204 20.805 11.922 1.000 19.298 . 13 LYS AAA HZ2 c 1 ATOM 214 H HZ3 . LYS AAA 1 13 HZ3 . LYS 13 -18.191 20.241 11.007 1.000 19.302 . 13 LYS AAA HZ3 c 1 ATOM 215 C C . LYS AAA 1 13 C . LYS 13 -14.318 16.908 15.590 1.000 14.483 . 13 LYS AAA C . 1 ATOM 216 O O . LYS AAA 1 13 O . LYS 13 -15.089 17.038 16.564 1.000 13.660 . 13 LYS AAA O . 1 ATOM 218 N N . ARG AAA 1 14 N . ARG 14 -14.056 15.739 15.027 1.000 14.123 . 14 ARG AAA N . 1 ATOM 219 H H . ARG AAA 1 14 H . ARG 14 -13.495 15.637 14.316 1.000 14.238 . 14 ARG AAA H c 1 ATOM 220 C CA . ARG AAA 1 14 CA . ARG 14 -14.680 14.490 15.515 1.000 14.246 . 14 ARG AAA CA . 1 ATOM 221 H HA . ARG AAA 1 14 HA . ARG 14 -15.656 14.613 15.467 1.000 14.486 . 14 ARG AAA HA c 1 ATOM 222 C CB . ARG AAA 1 14 CB . ARG 14 -14.313 13.340 14.584 1.000 15.538 . 14 ARG AAA CB . 1 ATOM 223 H HB3 . ARG AAA 1 14 HB3 . ARG 14 -13.336 13.284 14.533 1.000 15.401 . 14 ARG AAA HB3 c 1 ATOM 224 H HB2 . ARG AAA 1 14 HB2 . ARG 14 -14.648 13.547 13.687 1.000 15.401 . 14 ARG AAA HB2 c 1 ATOM 225 C CG . ARG AAA 1 14 CG . ARG 14 -14.859 11.986 15.009 1.000 16.316 . 14 ARG AAA CG . 1 ATOM 226 H HG3 . ARG AAA 1 14 HG3 . ARG 14 -15.804 12.078 15.252 1.000 16.042 . 14 ARG AAA HG3 c 1 ATOM 227 H HG2 . ARG AAA 1 14 HG2 . ARG 14 -14.370 11.671 15.799 1.000 16.029 . 14 ARG AAA HG2 c 1 ATOM 228 C CD . ARG AAA 1 14 CD . ARG 14 -14.732 10.964 13.916 1.000 15.866 . 14 ARG AAA CD . 1 ATOM 229 H HD3 . ARG AAA 1 14 HD3 . ARG 14 -15.277 11.232 13.145 1.000 16.308 . 14 ARG AAA HD3 c 1 ATOM 230 H HD2 . ARG AAA 1 14 HD2 . ARG 14 -15.050 10.094 14.235 1.000 16.317 . 14 ARG AAA HD2 c 1 ATOM 231 N NE . ARG AAA 1 14 NE . ARG 14 -13.326 10.878 13.524 1.000 17.332 . 14 ARG AAA NE . 1 ATOM 232 H HE . ARG AAA 1 14 HE . ARG 14 -13.079 11.313 12.809 1.000 17.039 . 14 ARG AAA HE c 1 ATOM 233 C CZ . ARG AAA 1 14 CZ . ARG 14 -12.412 10.153 14.143 1.000 17.288 . 14 ARG AAA CZ . 1 ATOM 234 N NH1 . ARG AAA 1 14 NH1 . ARG 14 -12.725 9.452 15.229 1.000 18.316 . 14 ARG AAA NH1 . 1 ATOM 235 H HH11 . ARG AAA 1 14 HH11 . ARG 14 -13.544 9.456 15.541 1.000 17.943 . 14 ARG AAA HH11 c 1 ATOM 236 H HH12 . ARG AAA 1 14 HH12 . ARG 14 -12.105 8.979 15.635 1.000 17.954 . 14 ARG AAA HH12 c 1 ATOM 237 N NH2 . ARG AAA 1 14 NH2 . ARG 14 -11.177 10.148 13.663 1.000 18.719 . 14 ARG AAA NH2 . 1 ATOM 238 H HH21 . ARG AAA 1 14 HH21 . ARG 14 -10.980 10.619 12.945 1.000 18.196 . 14 ARG AAA HH21 c 1 ATOM 239 H HH22 . ARG AAA 1 14 HH22 . ARG 14 -10.551 9.679 14.069 1.000 18.196 . 14 ARG AAA HH22 c 1 ATOM 240 C C . ARG AAA 1 14 C . ARG 14 -14.320 14.235 16.975 1.000 14.382 . 14 ARG AAA C . 1 ATOM 241 O O . ARG AAA 1 14 O . ARG 14 -15.170 13.746 17.736 1.000 15.013 . 14 ARG AAA O . 1 ATOM 243 N N . HIS AAA 1 15 N . HIS 15 -13.099 14.565 17.376 1.000 14.624 . 15 HIS AAA N . 1 ATOM 244 H H . HIS AAA 1 15 H . HIS 15 -12.460 14.942 16.848 1.000 14.799 . 15 HIS AAA H c 1 ATOM 245 C CA . HIS AAA 1 15 CA . HIS 15 -12.659 14.334 18.775 1.000 15.630 . 15 HIS AAA CA . 1 ATOM 246 H HA . HIS AAA 1 15 HA . HIS 15 -13.115 13.521 19.098 1.000 15.186 . 15 HIS AAA HA c 1 ATOM 247 C CB . HIS AAA 1 15 CB . HIS 15 -11.173 14.065 18.806 1.000 15.452 . 15 HIS AAA CB . 1 ATOM 248 H HB3 . HIS AAA 1 15 HB3 . HIS 15 -10.854 14.158 19.730 1.000 15.793 . 15 HIS AAA HB3 c 1 ATOM 249 H HB2 . HIS AAA 1 15 HB2 . HIS 15 -10.715 14.745 18.264 1.000 15.802 . 15 HIS AAA HB2 c 1 ATOM 250 C CG . HIS AAA 1 15 CG . HIS 15 -10.785 12.712 18.307 1.000 16.825 . 15 HIS AAA CG . 1 ATOM 251 N ND1 . HIS AAA 1 15 ND1 . HIS 15 -11.062 11.566 18.984 1.000 17.360 . 15 HIS AAA ND1 . 1 ATOM 252 H HD1 . HIS AAA 1 15 HD1 . HIS 15 -11.487 11.514 19.748 0.000 17.410 . 15 HIS AAA HD1 c 1 ATOM 253 C CE1 . HIS AAA 1 15 CE1 . HIS 15 -10.646 10.533 18.303 1.000 16.318 . 15 HIS AAA CE1 . 1 ATOM 254 H HE1 . HIS AAA 1 15 HE1 . HIS 15 -10.721 9.638 18.578 1.000 16.770 . 15 HIS AAA HE1 c 1 ATOM 255 N NE2 . HIS AAA 1 15 NE2 . HIS 15 -10.062 10.944 17.187 1.000 17.227 . 15 HIS AAA NE2 . 1 ATOM 256 H HE2 . HIS AAA 1 15 HE2 . HIS 15 -9.706 10.428 16.573 0.000 17.210 . 15 HIS AAA HE2 c 1 ATOM 257 C CD2 . HIS AAA 1 15 CD2 . HIS 15 -10.163 12.322 17.164 1.000 16.866 . 15 HIS AAA CD2 . 1 ATOM 258 H HD2 . HIS AAA 1 15 HD2 . HIS 15 -9.832 12.884 16.490 1.000 16.907 . 15 HIS AAA HD2 c 1 ATOM 259 C C . HIS AAA 1 15 C . HIS 15 -13.063 15.488 19.704 1.000 14.519 . 15 HIS AAA C . 1 ATOM 260 O O . HIS AAA 1 15 O . HIS 15 -12.576 15.524 20.847 1.000 14.670 . 15 HIS AAA O . 1 ATOM 262 N N . GLY AAA 1 16 N . GLY 16 -13.910 16.384 19.220 1.000 15.231 . 16 GLY AAA N . 1 ATOM 263 H H . GLY AAA 1 16 H . GLY 16 -14.244 16.347 18.378 1.000 14.995 . 16 GLY AAA H c 1 ATOM 264 C CA . GLY AAA 1 16 CA . GLY 16 -14.385 17.536 20.012 1.000 14.959 . 16 GLY AAA CA . 1 ATOM 265 H HA3 . GLY AAA 1 16 HA3 . GLY 16 -14.742 17.188 20.867 1.000 15.070 . 16 GLY AAA HA3 c 1 ATOM 266 H HA2 . GLY AAA 1 16 HA2 . GLY 16 -15.145 17.938 19.534 1.000 15.093 . 16 GLY AAA HA2 c 1 ATOM 267 C C . GLY AAA 1 16 C . GLY 16 -13.383 18.644 20.329 1.000 15.135 . 16 GLY AAA C . 1 ATOM 268 O O . GLY AAA 1 16 O . GLY 16 -13.561 19.303 21.357 1.000 15.458 . 16 GLY AAA O . 1 ATOM 270 N N . LEU AAA 1 17 N . LEU 17 -12.383 18.882 19.499 1.000 15.234 . 17 LEU AAA N . 1 ATOM 271 H H . LEU AAA 1 17 H . LEU 17 -12.245 18.408 18.733 1.000 15.057 . 17 LEU AAA H c 1 ATOM 272 C CA . LEU AAA 1 17 CA . LEU 17 -11.400 19.975 19.747 1.000 14.593 . 17 LEU AAA CA . 1 ATOM 273 H HA . LEU AAA 1 17 HA . LEU 17 -11.259 20.059 20.715 1.000 14.870 . 17 LEU AAA HA c 1 ATOM 274 C CB . LEU AAA 1 17 CB . LEU 17 -10.075 19.692 19.041 1.000 14.835 . 17 LEU AAA CB . 1 ATOM 275 H HB3 . LEU AAA 1 17 HB3 . LEU 17 -9.854 20.471 18.493 1.000 14.796 . 17 LEU AAA HB3 c 1 ATOM 276 H HB2 . LEU AAA 1 17 HB2 . LEU 17 -10.211 18.941 18.430 1.000 14.795 . 17 LEU AAA HB2 c 1 ATOM 277 C CG . LEU AAA 1 17 CG . LEU 17 -8.866 19.372 19.912 1.000 14.918 . 17 LEU AAA CG . 1 ATOM 278 H HG . LEU AAA 1 17 HG . LEU 17 -8.897 18.416 20.155 1.000 14.736 . 17 LEU AAA HG c 1 ATOM 279 C CD1 . LEU AAA 1 17 CD1 . LEU 17 -7.607 19.626 19.068 1.000 14.332 . 17 LEU AAA CD1 . 1 ATOM 280 H HD11 . LEU AAA 1 17 HD11 . LEU 17 -7.612 19.040 18.291 1.000 14.505 . 17 LEU AAA HD11 c 1 ATOM 281 H HD12 . LEU AAA 1 17 HD12 . LEU 17 -6.815 19.446 19.604 1.000 14.505 . 17 LEU AAA HD12 c 1 ATOM 282 H HD13 . LEU AAA 1 17 HD13 . LEU 17 -7.593 20.552 18.773 1.000 14.491 . 17 LEU AAA HD13 c 1 ATOM 283 C CD2 . LEU AAA 1 17 CD2 . LEU 17 -8.863 20.194 21.174 1.000 14.683 . 17 LEU AAA CD2 . 1 ATOM 284 H HD21 . LEU AAA 1 17 HD21 . LEU 17 -9.055 21.125 20.956 1.000 14.746 . 17 LEU AAA HD21 c 1 ATOM 285 H HD22 . LEU AAA 1 17 HD22 . LEU 17 -7.988 20.134 21.597 1.000 14.753 . 17 LEU AAA HD22 c 1 ATOM 286 H HD23 . LEU AAA 1 17 HD23 . LEU 17 -9.541 19.857 21.787 1.000 14.753 . 17 LEU AAA HD23 c 1 ATOM 287 C C . LEU AAA 1 17 C . LEU 17 -11.935 21.303 19.203 1.000 15.175 . 17 LEU AAA C . 1 ATOM 288 O O . LEU AAA 1 17 O . LEU 17 -11.519 22.326 19.682 1.000 15.361 . 17 LEU AAA O . 1 ATOM 290 N N . ASP AAA 1 18 N . ASP 18 -12.802 21.278 18.200 1.000 15.715 . 18 ASP AAA N . 1 ATOM 291 H H . ASP AAA 1 18 H . ASP 18 -13.081 20.509 17.803 1.000 15.452 . 18 ASP AAA H c 1 ATOM 292 C CA . ASP AAA 1 18 CA . ASP 18 -13.363 22.503 17.622 1.000 15.163 . 18 ASP AAA CA . 1 ATOM 293 H HA . ASP AAA 1 18 HA . ASP 18 -12.609 23.070 17.336 1.000 15.186 . 18 ASP AAA HA c 1 ATOM 294 C CB . ASP AAA 1 18 CB . ASP 18 -14.193 22.181 16.380 1.000 14.907 . 18 ASP AAA CB . 1 ATOM 295 H HB3 . ASP AAA 1 18 HB3 . ASP 18 -13.611 21.794 15.696 1.000 14.910 . 18 ASP AAA HB3 c 1 ATOM 296 H HB2 . ASP AAA 1 18 HB2 . ASP 18 -14.570 23.011 16.028 1.000 14.935 . 18 ASP AAA HB2 c 1 ATOM 297 C CG . ASP AAA 1 18 CG . ASP 18 -15.326 21.211 16.650 1.000 14.710 . 18 ASP AAA CG . 1 ATOM 298 O OD1 . ASP AAA 1 18 OD1 . ASP 18 -15.070 20.122 17.249 1.000 15.147 . 18 ASP AAA OD1 . 1 ATOM 299 O OD2 . ASP AAA 1 18 OD2 . ASP 18 -16.473 21.544 16.270 1.000 16.951 . 18 ASP AAA OD2 . 1 ATOM 300 C C . ASP AAA 1 18 C . ASP 18 -14.177 23.277 18.655 1.000 15.020 . 18 ASP AAA C . 1 ATOM 301 O O . ASP AAA 1 18 O . ASP 18 -15.122 22.736 19.246 1.000 13.505 . 18 ASP AAA O . 1 ATOM 303 N N . ASN AAA 1 19 N . ASN 19 -13.759 24.497 18.907 1.000 13.959 . 19 ASN AAA N . 1 ATOM 304 H H . ASN AAA 1 19 H . ASN 19 -13.057 24.877 18.467 1.000 14.407 . 19 ASN AAA H c 1 ATOM 305 C CA . ASN AAA 1 19 CA . ASN 19 -14.374 25.392 19.922 1.000 14.820 . 19 ASN AAA CA . 1 ATOM 306 H HA . ASN AAA 1 19 HA . ASN 19 -13.998 26.290 19.788 1.000 14.408 . 19 ASN AAA HA c 1 ATOM 307 C CB . ASN AAA 1 19 CB . ASN 19 -15.890 25.496 19.679 1.000 15.342 . 19 ASN AAA CB . 1 ATOM 308 H HB3 . ASN AAA 1 19 HB3 . ASN 19 -16.252 26.208 20.245 1.000 15.530 . 19 ASN AAA HB3 c 1 ATOM 309 H HB2 . ASN AAA 1 19 HB2 . ASN 19 -16.316 24.657 19.945 1.000 15.517 . 19 ASN AAA HB2 c 1 ATOM 310 C CG . ASN AAA 1 19 CG . ASN 19 -16.235 25.794 18.233 1.000 16.651 . 19 ASN AAA CG . 1 ATOM 311 O OD1 . ASN AAA 1 19 OD1 . ASN 19 -15.640 26.732 17.692 1.000 19.610 . 19 ASN AAA OD1 . 1 ATOM 312 N ND2 . ASN AAA 1 19 ND2 . ASN 19 -17.201 25.061 17.670 1.000 18.782 . 19 ASN AAA ND2 . 1 ATOM 313 H HD21 . ASN AAA 1 19 HD21 . ASN 19 -17.434 25.201 16.831 0.000 18.770 . 19 ASN AAA HD21 c 1 ATOM 314 H HD22 . ASN AAA 1 19 HD22 . ASN 19 -17.611 24.430 18.141 0.000 18.770 . 19 ASN AAA HD22 c 1 ATOM 315 C C . ASN AAA 1 19 C . ASN 19 -14.069 24.968 21.353 1.000 12.975 . 19 ASN AAA C . 1 ATOM 316 O O . ASN AAA 1 19 O . ASN 19 -14.662 25.502 22.285 1.000 13.049 . 19 ASN AAA O . 1 ATOM 318 N N . TYR AAA 1 20 N . TYR 20 -13.182 24.009 21.548 1.000 13.294 . 20 TYR AAA N . 1 ATOM 319 H H . TYR AAA 1 20 H . TYR 20 -12.718 23.582 20.893 1.000 13.350 . 20 TYR AAA H c 1 ATOM 320 C CA . TYR AAA 1 20 CA . TYR 20 -12.830 23.559 22.912 1.000 13.847 . 20 TYR AAA CA . 1 ATOM 321 H HA . TYR AAA 1 20 HA . TYR 20 -13.663 23.321 23.394 1.000 13.449 . 20 TYR AAA HA c 1 ATOM 322 C CB . TYR AAA 1 20 CB . TYR 20 -11.915 22.347 22.880 1.000 12.487 . 20 TYR AAA CB . 1 ATOM 323 H HB3 . TYR AAA 1 20 HB3 . TYR 20 -11.031 22.623 22.560 1.000 12.965 . 20 TYR AAA HB3 c 1 ATOM 324 H HB2 . TYR AAA 1 20 HB2 . TYR 20 -12.279 21.690 22.252 1.000 12.965 . 20 TYR AAA HB2 c 1 ATOM 325 C CG . TYR AAA 1 20 CG . TYR 20 -11.782 21.718 24.240 1.000 13.206 . 20 TYR AAA CG . 1 ATOM 326 C CD1 . TYR AAA 1 20 CD1 . TYR 20 -12.737 20.831 24.742 1.000 14.104 . 20 TYR AAA CD1 . 1 ATOM 327 H HD1 . TYR AAA 1 20 HD1 . TYR 20 -13.453 20.571 24.187 1.000 13.925 . 20 TYR AAA HD1 c 1 ATOM 328 C CE1 . TYR AAA 1 20 CE1 . TYR 20 -12.646 20.285 26.018 1.000 14.574 . 20 TYR AAA CE1 . 1 ATOM 329 H HE1 . TYR AAA 1 20 HE1 . TYR 20 -13.303 19.687 26.333 1.000 13.962 . 20 TYR AAA HE1 c 1 ATOM 330 C CZ . TYR AAA 1 20 CZ . TYR 20 -11.596 20.672 26.835 1.000 12.816 . 20 TYR AAA CZ . 1 ATOM 331 O OH . TYR AAA 1 20 OH . TYR 20 -11.549 20.167 28.110 1.000 13.615 . 20 TYR AAA OH . 1 ATOM 332 H HH . TYR AAA 1 20 HH . TYR 20 -11.500 19.311 28.087 0.000 13.640 . 20 TYR AAA HH c 1 ATOM 333 C CE2 . TYR AAA 1 20 CE2 . TYR 20 -10.676 21.605 26.371 1.000 13.523 . 20 TYR AAA CE2 . 1 ATOM 334 H HE2 . TYR AAA 1 20 HE2 . TYR 20 -9.946 21.844 26.918 1.000 13.165 . 20 TYR AAA HE2 c 1 ATOM 335 C CD2 . TYR AAA 1 20 CD2 . TYR 20 -10.728 22.072 25.058 1.000 12.591 . 20 TYR AAA CD2 . 1 ATOM 336 H HD2 . TYR AAA 1 20 HD2 . TYR 20 -10.109 22.720 24.768 1.000 12.996 . 20 TYR AAA HD2 c 1 ATOM 337 C C . TYR AAA 1 20 C . TYR 20 -12.161 24.729 23.629 1.000 13.718 . 20 TYR AAA C . 1 ATOM 338 O O . TYR AAA 1 20 O . TYR 20 -11.214 25.297 23.078 1.000 12.031 . 20 TYR AAA O . 1 ATOM 340 N N . ARG AAA 1 21 N . ARG 21 -12.633 25.028 24.832 1.000 14.193 . 21 ARG AAA N . 1 ATOM 341 H H . ARG AAA 1 21 H . ARG 21 -13.277 24.536 25.249 1.000 13.869 . 21 ARG AAA H c 1 ATOM 342 C CA . ARG AAA 1 21 CA . ARG 21 -12.154 26.198 25.622 1.000 13.318 . 21 ARG AAA CA . 1 ATOM 343 H HA . ARG AAA 1 21 HA . ARG 21 -12.742 26.309 26.403 1.000 13.458 . 21 ARG AAA HA c 1 ATOM 344 C CB . ARG AAA 1 21 CB . ARG 21 -10.718 25.961 26.105 1.000 13.606 . 21 ARG AAA CB . 1 ATOM 345 H HB3 . ARG AAA 1 21 HB3 . ARG 21 -10.337 26.818 26.388 1.000 13.650 . 21 ARG AAA HB3 c 1 ATOM 346 H HB2 . ARG AAA 1 21 HB2 . ARG 21 -10.183 25.632 25.353 1.000 13.642 . 21 ARG AAA HB2 c 1 ATOM 347 C CG . ARG AAA 1 21 CG . ARG 21 -10.597 24.969 27.262 1.000 14.069 . 21 ARG AAA CG . 1 ATOM 348 H HG3 . ARG AAA 1 21 HG3 . ARG 21 -9.654 24.738 27.392 1.000 14.086 . 21 ARG AAA HG3 c 1 ATOM 349 H HG2 . ARG AAA 1 21 HG2 . ARG 21 -11.080 24.148 27.033 1.000 14.087 . 21 ARG AAA HG2 c 1 ATOM 350 C CD . ARG AAA 1 21 CD . ARG 21 -11.152 25.519 28.570 1.000 14.643 . 21 ARG AAA CD . 1 ATOM 351 H HD3 . ARG AAA 1 21 HD3 . ARG 21 -11.140 24.801 29.234 1.000 14.980 . 21 ARG AAA HD3 c 1 ATOM 352 H HD2 . ARG AAA 1 21 HD2 . ARG 21 -12.088 25.780 28.436 1.000 14.957 . 21 ARG AAA HD2 c 1 ATOM 353 N NE . ARG AAA 1 21 NE . ARG 21 -10.421 26.650 29.104 0.500 16.557 . 21 ARG AAA NE . 1 ATOM 354 H HE . ARG AAA 1 21 HE . ARG 21 -9.943 27.121 28.549 0.500 16.274 . 21 ARG AAA HE c 1 ATOM 355 C CZ . ARG AAA 1 21 CZ . ARG 21 -10.425 27.035 30.391 0.500 17.104 . 21 ARG AAA CZ . 1 ATOM 356 N NH1 . ARG AAA 1 21 NH1 . ARG 21 -11.125 26.379 31.304 0.500 17.634 . 21 ARG AAA NH1 . 1 ATOM 357 H HH11 . ARG AAA 1 21 HH11 . ARG 21 -11.602 25.678 31.079 0.500 17.406 . 21 ARG AAA HH11 c 1 ATOM 358 H HH12 . ARG AAA 1 21 HH12 . ARG 21 -11.112 26.652 32.139 0.500 17.413 . 21 ARG AAA HH12 c 1 ATOM 359 N NH2 . ARG AAA 1 21 NH2 . ARG 21 -9.722 28.089 30.760 0.500 18.092 . 21 ARG AAA NH2 . 1 ATOM 360 H HH21 . ARG AAA 1 21 HH21 . ARG 21 -9.252 28.533 30.162 0.500 17.689 . 21 ARG AAA HH21 c 1 ATOM 361 H HH22 . ARG AAA 1 21 HH22 . ARG 21 -9.722 28.343 31.603 0.500 17.689 . 21 ARG AAA HH22 c 1 ATOM 362 C C . ARG AAA 1 21 C . ARG 21 -12.215 27.469 24.780 1.000 12.895 . 21 ARG AAA C . 1 ATOM 363 O O . ARG AAA 1 21 O . ARG 21 -11.407 28.383 24.979 1.000 12.228 . 21 ARG AAA O . 1 ATOM 365 N N . GLY AAA 1 22 N . GLY 22 -13.159 27.558 23.851 1.000 12.316 . 22 GLY AAA N . 1 ATOM 366 H H . GLY AAA 1 22 H . GLY 22 -13.743 26.885 23.668 1.000 12.294 . 22 GLY AAA H c 1 ATOM 367 C CA . GLY AAA 1 22 CA . GLY 22 -13.359 28.774 23.067 1.000 11.643 . 22 GLY AAA CA . 1 ATOM 368 H HA3 . GLY AAA 1 22 HA3 . GLY 22 -13.209 29.557 23.653 1.000 11.801 . 22 GLY AAA HA3 c 1 ATOM 369 H HA2 . GLY AAA 1 22 HA2 . GLY 22 -14.304 28.804 22.773 1.000 11.818 . 22 GLY AAA HA2 c 1 ATOM 370 C C . GLY AAA 1 22 C . GLY 22 -12.469 28.893 21.853 1.000 11.627 . 22 GLY AAA C . 1 ATOM 371 O O . GLY AAA 1 22 O . GLY 22 -12.544 29.913 21.119 1.000 11.377 . 22 GLY AAA O . 1 ATOM 373 N N . TYR AAA 1 23 N . TYR 23 -11.606 27.920 21.563 1.000 11.750 . 23 TYR AAA N . 1 ATOM 374 H H . TYR AAA 1 23 H . TYR 23 -11.537 27.142 22.030 1.000 11.530 . 23 TYR AAA H c 1 ATOM 375 C CA . TYR AAA 1 23 CA . TYR 23 -10.664 27.993 20.417 1.000 10.956 . 23 TYR AAA CA . 1 ATOM 376 H HA . TYR AAA 1 23 HA . TYR 23 -10.525 28.946 20.183 1.000 11.119 . 23 TYR AAA HA c 1 ATOM 377 C CB . TYR AAA 1 23 CB . TYR 23 -9.332 27.402 20.791 1.000 10.846 . 23 TYR AAA CB . 1 ATOM 378 H HB3 . TYR AAA 1 23 HB3 . TYR 23 -8.792 27.296 19.980 1.000 10.848 . 23 TYR AAA HB3 c 1 ATOM 379 H HB2 . TYR AAA 1 23 HB2 . TYR 23 -9.474 26.516 21.185 1.000 10.849 . 23 TYR AAA HB2 c 1 ATOM 380 C CG . TYR AAA 1 23 CG . TYR 23 -8.598 28.273 21.769 1.000 10.742 . 23 TYR AAA CG . 1 ATOM 381 C CD1 . TYR AAA 1 23 CD1 . TYR 23 -7.824 29.348 21.347 1.000 10.047 . 23 TYR AAA CD1 . 1 ATOM 382 H HD1 . TYR AAA 1 23 HD1 . TYR 23 -7.781 29.547 20.426 1.000 10.103 . 23 TYR AAA HD1 c 1 ATOM 383 C CE1 . TYR AAA 1 23 CE1 . TYR 23 -7.166 30.161 22.235 1.000 9.532 . 23 TYR AAA CE1 . 1 ATOM 384 H HE1 . TYR AAA 1 23 HE1 . TYR 23 -6.649 30.884 21.921 1.000 9.833 . 23 TYR AAA HE1 c 1 ATOM 385 C CZ . TYR AAA 1 23 CZ . TYR 23 -7.214 29.885 23.597 1.000 10.081 . 23 TYR AAA CZ . 1 ATOM 386 O OH . TYR AAA 1 23 OH . TYR 23 -6.520 30.731 24.434 1.000 9.664 . 23 TYR AAA OH . 1 ATOM 387 H HH . TYR AAA 1 23 HH . TYR 23 -6.823 31.531 24.354 0.000 9.670 . 23 TYR AAA HH c 1 ATOM 388 C CE2 . TYR AAA 1 23 CE2 . TYR 23 -7.977 28.814 24.044 1.000 10.609 . 23 TYR AAA CE2 . 1 ATOM 389 H HE2 . TYR AAA 1 23 HE2 . TYR 23 -8.023 28.624 24.966 1.000 10.490 . 23 TYR AAA HE2 c 1 ATOM 390 C CD2 . TYR AAA 1 23 CD2 . TYR 23 -8.648 28.008 23.135 1.000 10.766 . 23 TYR AAA CD2 . 1 ATOM 391 H HD2 . TYR AAA 1 23 HD2 . TYR 23 -9.161 27.282 23.450 1.000 10.670 . 23 TYR AAA HD2 c 1 ATOM 392 C C . TYR AAA 1 23 C . TYR 23 -11.277 27.286 19.211 1.000 11.082 . 23 TYR AAA C . 1 ATOM 393 O O . TYR AAA 1 23 O . TYR 23 -11.443 26.088 19.173 1.000 11.231 . 23 TYR AAA O . 1 ATOM 395 N N . SER AAA 1 24 N . SER 24 -11.599 28.059 18.197 1.000 11.004 . 24 SER AAA N . 1 ATOM 396 H H . SER AAA 1 24 H . SER 24 -11.511 28.966 18.198 1.000 11.059 . 24 SER AAA H c 1 ATOM 397 C CA . SER AAA 1 24 CA . SER 24 -12.148 27.538 16.930 1.000 11.147 . 24 SER AAA CA . 1 ATOM 398 H HA . SER AAA 1 24 HA . SER 24 -13.003 27.079 17.149 1.000 11.267 . 24 SER AAA HA c 1 ATOM 399 C CB . SER AAA 1 24 CB . SER 24 -12.469 28.676 15.976 1.000 12.072 . 24 SER AAA CB . 1 ATOM 400 H HB3 . SER AAA 1 24 HB3 . SER 24 -13.065 29.319 16.422 1.000 11.536 . 24 SER AAA HB3 c 1 ATOM 401 H HB2 . SER AAA 1 24 HB2 . SER 24 -12.939 28.319 15.188 1.000 11.537 . 24 SER AAA HB2 c 1 ATOM 402 O OG . SER AAA 1 24 OG . SER 24 -11.276 29.340 15.559 1.000 10.783 . 24 SER AAA OG . 1 ATOM 403 H HG . SER AAA 1 24 HG . SER 24 -11.488 29.969 15.030 0.000 10.870 . 24 SER AAA HG c 1 ATOM 404 C C . SER AAA 1 24 C . SER 24 -11.221 26.492 16.291 1.000 10.970 . 24 SER AAA C . 1 ATOM 405 O O . SER AAA 1 24 O . SER 24 -9.999 26.527 16.537 1.000 10.256 . 24 SER AAA O . 1 ATOM 407 N N . LEU AAA 1 25 N . LEU 25 -11.775 25.631 15.443 1.000 10.390 . 25 LEU AAA N . 1 ATOM 408 H H . LEU AAA 1 25 H . LEU 25 -12.661 25.647 15.232 1.000 10.524 . 25 LEU AAA H c 1 ATOM 409 C CA . LEU AAA 1 25 CA . LEU 25 -10.997 24.565 14.759 1.000 10.386 . 25 LEU AAA CA . 1 ATOM 410 H HA . LEU AAA 1 25 HA . LEU 25 -10.685 23.940 15.452 1.000 10.408 . 25 LEU AAA HA c 1 ATOM 411 C CB . LEU AAA 1 25 CB . LEU 25 -11.910 23.823 13.805 1.000 10.562 . 25 LEU AAA CB . 1 ATOM 412 H HB3 . LEU AAA 1 25 HB3 . LEU 25 -12.151 24.436 13.082 1.000 10.460 . 25 LEU AAA HB3 c 1 ATOM 413 H HB2 . LEU AAA 1 25 HB2 . LEU 25 -12.734 23.605 14.285 1.000 10.459 . 25 LEU AAA HB2 c 1 ATOM 414 C CG . LEU AAA 1 25 CG . LEU 25 -11.375 22.532 13.175 1.000 10.307 . 25 LEU AAA CG . 1 ATOM 415 H HG . LEU AAA 1 25 HG . LEU 25 -10.643 22.769 12.554 1.000 10.278 . 25 LEU AAA HG c 1 ATOM 416 C CD1 . LEU AAA 1 25 CD1 . LEU 25 -10.820 21.607 14.229 1.000 10.455 . 25 LEU AAA CD1 . 1 ATOM 417 H HD11 . LEU AAA 1 25 HD11 . LEU 25 -10.019 21.998 14.619 1.000 10.413 . 25 LEU AAA HD11 c 1 ATOM 418 H HD12 . LEU AAA 1 25 HD12 . LEU 25 -10.596 20.752 13.823 1.000 10.418 . 25 LEU AAA HD12 c 1 ATOM 419 H HD13 . LEU AAA 1 25 HD13 . LEU 25 -11.487 21.470 14.925 1.000 10.421 . 25 LEU AAA HD13 c 1 ATOM 420 C CD2 . LEU AAA 1 25 CD2 . LEU 25 -12.485 21.865 12.371 1.000 9.767 . 25 LEU AAA CD2 . 1 ATOM 421 H HD21 . LEU AAA 1 25 HD21 . LEU 25 -13.219 21.628 12.965 1.000 9.948 . 25 LEU AAA HD21 c 1 ATOM 422 H HD22 . LEU AAA 1 25 HD22 . LEU 25 -12.141 21.061 11.944 1.000 9.942 . 25 LEU AAA HD22 c 1 ATOM 423 H HD23 . LEU AAA 1 25 HD23 . LEU 25 -12.806 22.481 11.690 1.000 9.961 . 25 LEU AAA HD23 c 1 ATOM 424 C C . LEU AAA 1 25 C . LEU 25 -9.766 25.111 14.031 1.000 10.329 . 25 LEU AAA C . 1 ATOM 425 O O . LEU AAA 1 25 O . LEU 25 -8.727 24.430 14.047 1.000 9.803 . 25 LEU AAA O . 1 ATOM 427 N N . GLY AAA 1 26 N . GLY 26 -9.822 26.291 13.414 1.000 9.874 . 26 GLY AAA N . 1 ATOM 428 H H . GLY AAA 1 26 H . GLY 26 -10.566 26.816 13.421 1.000 9.956 . 26 GLY AAA H c 1 ATOM 429 C CA . GLY AAA 1 26 CA . GLY 26 -8.685 26.843 12.667 1.000 9.773 . 26 GLY AAA CA . 1 ATOM 430 H HA3 . GLY AAA 1 26 HA3 . GLY 26 -8.965 27.689 12.237 1.000 9.791 . 26 GLY AAA HA3 c 1 ATOM 431 H HA2 . GLY AAA 1 26 HA2 . GLY 26 -8.427 26.206 11.954 1.000 9.781 . 26 GLY AAA HA2 c 1 ATOM 432 C C . GLY AAA 1 26 C . GLY 26 -7.493 27.106 13.558 1.000 9.695 . 26 GLY AAA C . 1 ATOM 433 O O . GLY AAA 1 26 O . GLY 26 -6.354 27.005 13.108 1.000 9.842 . 26 GLY AAA O . 1 ATOM 435 N N . ASN AAA 1 27 N . ASN 27 -7.738 27.412 14.822 1.000 10.374 . 27 ASN AAA N . 1 ATOM 436 H H . ASN AAA 1 27 H . ASN 27 -8.579 27.497 15.161 1.000 10.139 . 27 ASN AAA H c 1 ATOM 437 C CA . ASN AAA 1 27 CA . ASN 27 -6.669 27.666 15.788 1.000 10.077 . 27 ASN AAA CA . 1 ATOM 438 H HA . ASN AAA 1 27 HA . ASN 27 -6.074 28.363 15.426 1.000 10.141 . 27 ASN AAA HA c 1 ATOM 439 C CB . ASN AAA 1 27 CB . ASN 27 -7.229 28.157 17.124 1.000 10.204 . 27 ASN AAA CB . 1 ATOM 440 H HB3 . ASN AAA 1 27 HB3 . ASN 27 -6.571 27.982 17.825 1.000 10.006 . 27 ASN AAA HB3 c 1 ATOM 441 H HB2 . ASN AAA 1 27 HB2 . ASN 27 -8.039 27.654 17.337 1.000 10.006 . 27 ASN AAA HB2 c 1 ATOM 442 C CG . ASN AAA 1 27 CG . ASN 27 -7.551 29.642 17.113 1.000 9.502 . 27 ASN AAA CG . 1 ATOM 443 O OD1 . ASN AAA 1 27 OD1 . ASN 27 -6.616 30.461 17.130 1.000 10.617 . 27 ASN AAA OD1 . 1 ATOM 444 N ND2 . ASN AAA 1 27 ND2 . ASN 27 -8.850 30.020 17.092 1.000 9.046 . 27 ASN AAA ND2 . 1 ATOM 445 H HD21 . ASN AAA 1 27 HD21 . ASN 27 -9.060 30.876 17.085 0.000 9.040 . 27 ASN AAA HD21 c 1 ATOM 446 H HD22 . ASN AAA 1 27 HD22 . ASN 27 -9.486 29.406 17.083 0.000 9.040 . 27 ASN AAA HD22 c 1 ATOM 447 C C . ASN AAA 1 27 C . ASN 27 -5.861 26.397 16.028 1.000 10.006 . 27 ASN AAA C . 1 ATOM 448 O O . ASN AAA 1 27 O . ASN 27 -4.630 26.492 16.086 1.000 9.857 . 27 ASN AAA O . 1 ATOM 450 N N . TRP AAA 1 28 N . TRP 28 -6.543 25.261 16.102 1.000 9.523 . 28 TRP AAA N . 1 ATOM 451 H H . TRP AAA 1 28 H . TRP 28 -7.449 25.218 16.017 1.000 9.709 . 28 TRP AAA H c 1 ATOM 452 C CA . TRP AAA 1 28 CA . TRP 28 -5.919 23.963 16.330 1.000 9.833 . 28 TRP AAA CA . 1 ATOM 453 H HA . TRP AAA 1 28 HA . TRP 28 -5.273 24.083 17.065 1.000 9.717 . 28 TRP AAA HA c 1 ATOM 454 C CB . TRP AAA 1 28 CB . TRP 28 -6.943 22.909 16.803 1.000 9.288 . 28 TRP AAA CB . 1 ATOM 455 H HB3 . TRP AAA 1 28 HB3 . TRP 28 -6.482 22.052 16.905 1.000 9.553 . 28 TRP AAA HB3 c 1 ATOM 456 H HB2 . TRP AAA 1 28 HB2 . TRP 28 -7.625 22.806 16.109 1.000 9.549 . 28 TRP AAA HB2 c 1 ATOM 457 C CG . TRP AAA 1 28 CG . TRP 28 -7.603 23.271 18.095 1.000 9.869 . 28 TRP AAA CG . 1 ATOM 458 C CD1 . TRP AAA 1 28 CD1 . TRP 28 -8.841 23.846 18.289 1.000 9.810 . 28 TRP AAA CD1 . 1 ATOM 459 H HD1 . TRP AAA 1 28 HD1 . TRP 28 -9.466 24.039 17.608 1.000 10.125 . 28 TRP AAA HD1 c 1 ATOM 460 N NE1 . TRP AAA 1 28 NE1 . TRP 28 -9.047 24.091 19.627 1.000 10.898 . 28 TRP AAA NE1 . 1 ATOM 461 H HE1 . TRP AAA 1 28 HE1 . TRP 28 -9.769 24.439 19.979 1.000 10.484 . 28 TRP AAA HE1 c 1 ATOM 462 C CE2 . TRP AAA 1 28 CE2 . TRP 28 -7.936 23.702 20.309 1.000 10.255 . 28 TRP AAA CE2 . 1 ATOM 463 C CD2 . TRP AAA 1 28 CD2 . TRP 28 -7.011 23.168 19.388 1.000 10.140 . 28 TRP AAA CD2 . 1 ATOM 464 C CE3 . TRP AAA 1 28 CE3 . TRP 28 -5.752 22.738 19.829 1.000 10.112 . 28 TRP AAA CE3 . 1 ATOM 465 H HE3 . TRP AAA 1 28 HE3 . TRP 28 -5.128 22.381 19.217 1.000 10.339 . 28 TRP AAA HE3 c 1 ATOM 466 C CZ3 . TRP AAA 1 28 CZ3 . TRP 28 -5.482 22.738 21.196 1.000 10.996 . 28 TRP AAA CZ3 . 1 ATOM 467 H HZ3 . TRP AAA 1 28 HZ3 . TRP 28 -4.645 22.440 21.515 1.000 10.864 . 28 TRP AAA HZ3 c 1 ATOM 468 C CH2 . TRP AAA 1 28 CH2 . TRP 28 -6.433 23.257 22.093 1.000 11.690 . 28 TRP AAA CH2 . 1 ATOM 469 H HH2 . TRP AAA 1 28 HH2 . TRP 28 -6.226 23.282 23.009 1.000 11.177 . 28 TRP AAA HH2 c 1 ATOM 470 C CZ2 . TRP AAA 1 28 CZ2 . TRP 28 -7.637 23.769 21.672 1.000 10.749 . 28 TRP AAA CZ2 . 1 ATOM 471 H HZ2 . TRP AAA 1 28 HZ2 . TRP 28 -8.279 24.073 22.291 1.000 10.782 . 28 TRP AAA HZ2 c 1 ATOM 472 C C . TRP AAA 1 28 C . TRP 28 -5.145 23.483 15.109 1.000 10.095 . 28 TRP AAA C . 1 ATOM 473 O O . TRP AAA 1 28 O . TRP 28 -4.097 22.872 15.290 1.000 9.422 . 28 TRP AAA O . 1 ATOM 475 N N . VAL AAA 1 29 N . VAL 29 -5.719 23.703 13.934 1.000 8.856 . 29 VAL AAA N . 1 ATOM 476 H H . VAL AAA 1 29 H . VAL 29 -6.511 24.140 13.828 1.000 9.198 . 29 VAL AAA H c 1 ATOM 477 C CA . VAL AAA 1 29 CA . VAL 29 -5.098 23.241 12.686 1.000 9.127 . 29 VAL AAA CA . 1 ATOM 478 H HA . VAL AAA 1 29 HA . VAL 29 -4.838 22.310 12.800 1.000 9.004 . 29 VAL AAA HA c 1 ATOM 479 C CB . VAL AAA 1 29 CB . VAL 29 -6.048 23.335 11.489 1.000 8.946 . 29 VAL AAA CB . 1 ATOM 480 H HB . VAL AAA 1 29 HB . VAL 29 -6.389 24.262 11.433 1.000 8.966 . 29 VAL AAA HB c 1 ATOM 481 C CG1 . VAL AAA 1 29 CG1 . VAL 29 -5.282 23.017 10.211 1.000 8.992 . 29 VAL AAA CG1 . 1 ATOM 482 H HG11 . VAL AAA 1 29 HG11 . VAL 29 -4.616 23.707 10.047 1.000 8.977 . 29 VAL AAA HG11 c 1 ATOM 483 H HG12 . VAL AAA 1 29 HG12 . VAL 29 -5.902 22.983 9.462 1.000 8.978 . 29 VAL AAA HG12 c 1 ATOM 484 H HG13 . VAL AAA 1 29 HG13 . VAL 29 -4.840 22.154 10.303 1.000 8.978 . 29 VAL AAA HG13 c 1 ATOM 485 C CG2 . VAL AAA 1 29 CG2 . VAL 29 -7.220 22.393 11.667 1.000 8.828 . 29 VAL AAA CG2 . 1 ATOM 486 H HG21 . VAL AAA 1 29 HG21 . VAL 29 -6.894 21.479 11.738 1.000 8.865 . 29 VAL AAA HG21 c 1 ATOM 487 H HG22 . VAL AAA 1 29 HG22 . VAL 29 -7.814 22.465 10.901 1.000 8.865 . 29 VAL AAA HG22 c 1 ATOM 488 H HG23 . VAL AAA 1 29 HG23 . VAL 29 -7.706 22.626 12.476 1.000 8.867 . 29 VAL AAA HG23 c 1 ATOM 489 C C . VAL AAA 1 29 C . VAL 29 -3.823 24.083 12.508 1.000 8.925 . 29 VAL AAA C . 1 ATOM 490 O O . VAL AAA 1 29 O . VAL 29 -2.783 23.558 12.098 1.000 8.790 . 29 VAL AAA O . 1 ATOM 492 N N . CYS AAA 1 30 N . CYS 30 -3.906 25.383 12.732 1.000 9.271 . 30 CYS AAA N . 1 ATOM 493 H H . CYS AAA 1 30 H . CYS 30 -4.663 25.818 12.994 1.000 9.222 . 30 CYS AAA H c 1 ATOM 494 C CA . CYS AAA 1 30 CA . CYS 30 -2.744 26.279 12.560 1.000 9.410 . 30 CYS AAA CA . 1 ATOM 495 H HA . CYS AAA 1 30 HA . CYS 30 -2.407 26.192 11.638 1.000 9.502 . 30 CYS AAA HA c 1 ATOM 496 C CB . CYS AAA 1 30 CB . CYS 30 -3.169 27.738 12.814 1.000 10.293 . 30 CYS AAA CB . 1 ATOM 497 H HB3 . CYS AAA 1 30 HB3 . CYS 30 -3.513 27.808 13.727 1.000 10.224 . 30 CYS AAA HB3 c 1 ATOM 498 H HB2 . CYS AAA 1 30 HB2 . CYS 30 -3.903 27.959 12.206 1.000 10.228 . 30 CYS AAA HB2 c 1 ATOM 499 S SG . CYS AAA 1 30 SG . CYS 30 -1.860 28.996 12.604 1.000 10.931 . 30 CYS AAA SG . 1 ATOM 500 C C . CYS AAA 1 30 C . CYS 30 -1.664 25.866 13.533 1.000 9.202 . 30 CYS AAA C . 1 ATOM 501 O O . CYS AAA 1 30 O . CYS 30 -0.512 25.746 13.144 1.000 9.014 . 30 CYS AAA O . 1 ATOM 503 N N . ALA AAA 1 31 N . ALA 31 -2.014 25.664 14.789 1.000 9.331 . 31 ALA AAA N . 1 ATOM 504 H H . ALA AAA 1 31 H . ALA 31 -2.855 25.775 15.121 1.000 9.325 . 31 ALA AAA H c 1 ATOM 505 C CA . ALA AAA 1 31 CA . ALA 31 -1.032 25.233 15.801 1.000 9.431 . 31 ALA AAA CA . 1 ATOM 506 H HA . ALA AAA 1 31 HA . ALA 31 -0.347 25.936 15.898 1.000 9.483 . 31 ALA AAA HA c 1 ATOM 507 C CB . ALA AAA 1 31 CB . ALA 31 -1.713 25.018 17.134 1.000 9.805 . 31 ALA AAA CB . 1 ATOM 508 H HB3 . ALA AAA 1 31 HB3 . ALA 31 -2.398 24.333 17.042 1.000 9.689 . 31 ALA AAA HB3 c 1 ATOM 509 H HB2 . ALA AAA 1 31 HB2 . ALA 31 -2.125 25.848 17.427 1.000 9.689 . 31 ALA AAA HB2 c 1 ATOM 510 H HB1 . ALA AAA 1 31 HB1 . ALA 31 -1.058 24.732 17.792 1.000 9.689 . 31 ALA AAA HB1 c 1 ATOM 511 C C . ALA AAA 1 31 C . ALA 31 -0.352 23.943 15.351 1.000 9.432 . 31 ALA AAA C . 1 ATOM 512 O O . ALA AAA 1 31 O . ALA 31 0.858 23.850 15.377 1.000 9.862 . 31 ALA AAA O . 1 ATOM 514 N N . ALA AAA 1 32 N . ALA 32 -1.118 22.967 14.903 1.000 9.259 . 32 ALA AAA N . 1 ATOM 515 H H . ALA AAA 1 32 H . ALA 32 -2.026 23.016 14.841 1.000 9.334 . 32 ALA AAA H c 1 ATOM 516 C CA . ALA AAA 1 32 CA . ALA 32 -0.570 21.662 14.449 1.000 9.402 . 32 ALA AAA CA . 1 ATOM 517 H HA . ALA AAA 1 32 HA . ALA 32 -0.055 21.263 15.187 1.000 9.380 . 32 ALA AAA HA c 1 ATOM 518 C CB . ALA AAA 1 32 CB . ALA 32 -1.737 20.752 14.108 1.000 9.543 . 32 ALA AAA CB . 1 ATOM 519 H HB3 . ALA AAA 1 32 HB3 . ALA 32 -2.263 21.151 13.394 1.000 9.500 . 32 ALA AAA HB3 c 1 ATOM 520 H HB2 . ALA AAA 1 32 HB2 . ALA 32 -2.297 20.633 14.893 1.000 9.500 . 32 ALA AAA HB2 c 1 ATOM 521 H HB1 . ALA AAA 1 32 HB1 . ALA 32 -1.401 19.888 13.817 1.000 9.500 . 32 ALA AAA HB1 c 1 ATOM 522 C C . ALA AAA 1 32 C . ALA 32 0.342 21.837 13.259 1.000 9.274 . 32 ALA AAA C . 1 ATOM 523 O O . ALA AAA 1 32 O . ALA 32 1.410 21.191 13.184 1.000 9.590 . 32 ALA AAA O . 1 ATOM 525 N N . LYS AAA 1 33 N . LYS 33 -0.022 22.740 12.351 1.000 10.319 . 33 LYS AAA N . 1 ATOM 526 H H . LYS AAA 1 33 H . LYS 33 -0.793 23.223 12.393 1.000 10.010 . 33 LYS AAA H c 1 ATOM 527 C CA . LYS AAA 1 33 CA . LYS 33 0.832 23.007 11.171 1.000 10.079 . 33 LYS AAA CA . 1 ATOM 528 H HA . LYS AAA 1 33 HA . LYS 33 0.921 22.174 10.653 1.000 10.366 . 33 LYS AAA HA c 1 ATOM 529 C CB . LYS AAA 1 33 CB . LYS 33 0.215 24.077 10.289 1.000 11.214 . 33 LYS AAA CB . 1 ATOM 530 H HB3 . LYS AAA 1 33 HB3 . LYS 33 -0.037 24.839 10.850 1.000 11.420 . 33 LYS AAA HB3 c 1 ATOM 531 H HB2 . LYS AAA 1 33 HB2 . LYS 33 -0.602 23.717 9.886 1.000 11.427 . 33 LYS AAA HB2 c 1 ATOM 532 C CG . LYS AAA 1 33 CG . LYS 33 1.125 24.572 9.182 1.000 13.519 . 33 LYS AAA CG . 1 ATOM 533 H HG3 . LYS AAA 1 33 HG3 . LYS 33 1.966 24.875 9.584 1.000 13.314 . 33 LYS AAA HG3 c 1 ATOM 534 H HG2 . LYS AAA 1 33 HG2 . LYS 33 0.711 25.350 8.766 1.000 13.342 . 33 LYS AAA HG2 c 1 ATOM 535 C CD . LYS AAA 1 33 CD . LYS 33 1.450 23.563 8.092 1.000 15.287 . 33 LYS AAA CD . 1 ATOM 536 H HD3 . LYS AAA 1 33 HD3 . LYS 33 0.614 23.229 7.703 1.000 15.265 . 33 LYS AAA HD3 c 1 ATOM 537 H HD2 . LYS AAA 1 33 HD2 . LYS 33 1.926 22.803 8.490 1.000 15.265 . 33 LYS AAA HD2 c 1 ATOM 538 C CE . LYS AAA 1 33 CE . LYS 33 2.308 24.163 6.987 1.000 17.177 . 33 LYS AAA CE . 1 ATOM 539 H HE3 . LYS AAA 1 33 HE3 . LYS 33 3.093 24.589 7.379 1.000 17.012 . 33 LYS AAA HE3 c 1 ATOM 540 H HE2 . LYS AAA 1 33 HE2 . LYS 33 1.798 24.848 6.515 1.000 16.995 . 33 LYS AAA HE2 c 1 ATOM 541 N NZ . LYS AAA 1 33 NZ . LYS 33 2.760 23.130 5.998 1.000 18.427 . 33 LYS AAA NZ . 1 ATOM 542 H HZ1 . LYS AAA 1 33 HZ1 . LYS 33 3.255 22.497 6.419 1.000 18.029 . 33 LYS AAA HZ1 c 1 ATOM 543 H HZ2 . LYS AAA 1 33 HZ2 . LYS 33 3.265 23.521 5.354 1.000 18.033 . 33 LYS AAA HZ2 c 1 ATOM 544 H HZ3 . LYS AAA 1 33 HZ3 . LYS 33 2.040 22.736 5.613 1.000 18.033 . 33 LYS AAA HZ3 c 1 ATOM 545 C C . LYS AAA 1 33 C . LYS 33 2.216 23.471 11.604 1.000 10.268 . 33 LYS AAA C . 1 ATOM 546 O O . LYS AAA 1 33 O . LYS 33 3.214 22.872 11.202 1.000 9.100 . 33 LYS AAA O . 1 ATOM 548 N N . PHE AAA 1 34 N . PHE 34 2.286 24.465 12.463 1.000 10.813 . 34 PHE AAA N . 1 ATOM 549 H H . PHE AAA 1 34 H . PHE 34 1.576 24.868 12.868 1.000 10.459 . 34 PHE AAA H c 1 ATOM 550 C CA . PHE AAA 1 34 CA . PHE 34 3.598 25.014 12.849 1.000 9.874 . 34 PHE AAA CA . 1 ATOM 551 H HA . PHE AAA 1 34 HA . PHE 34 4.179 24.967 12.050 1.000 10.363 . 34 PHE AAA HA c 1 ATOM 552 C CB . PHE AAA 1 34 CB . PHE 34 3.457 26.489 13.218 1.000 10.971 . 34 PHE AAA CB . 1 ATOM 553 H HB3 . PHE AAA 1 34 HB3 . PHE 34 4.324 26.826 13.528 1.000 10.676 . 34 PHE AAA HB3 c 1 ATOM 554 H HB2 . PHE AAA 1 34 HB2 . PHE 34 2.811 26.576 13.949 1.000 10.681 . 34 PHE AAA HB2 c 1 ATOM 555 C CG . PHE AAA 1 34 CG . PHE 34 3.000 27.290 12.044 1.000 10.857 . 34 PHE AAA CG . 1 ATOM 556 C CD1 . PHE AAA 1 34 CD1 . PHE 34 3.649 27.172 10.815 1.000 11.575 . 34 PHE AAA CD1 . 1 ATOM 557 H HD1 . PHE AAA 1 34 HD1 . PHE 34 4.386 26.591 10.721 1.000 11.479 . 34 PHE AAA HD1 c 1 ATOM 558 C CE1 . PHE AAA 1 34 CE1 . PHE 34 3.225 27.935 9.740 1.000 11.805 . 34 PHE AAA CE1 . 1 ATOM 559 H HE1 . PHE AAA 1 34 HE1 . PHE 34 3.658 27.842 8.906 1.000 11.737 . 34 PHE AAA HE1 c 1 ATOM 560 C CZ . PHE AAA 1 34 CZ . PHE 34 2.136 28.770 9.850 1.000 11.758 . 34 PHE AAA CZ . 1 ATOM 561 H HZ . PHE AAA 1 34 HZ . PHE 34 1.858 29.289 9.113 1.000 11.891 . 34 PHE AAA HZ c 1 ATOM 562 C CD2 . PHE AAA 1 34 CD2 . PHE 34 1.944 28.158 12.165 1.000 12.123 . 34 PHE AAA CD2 . 1 ATOM 563 H HD2 . PHE AAA 1 34 HD2 . PHE 34 1.499 28.229 12.994 1.000 11.855 . 34 PHE AAA HD2 c 1 ATOM 564 C CE2 . PHE AAA 1 34 CE2 . PHE 34 1.496 28.904 11.087 1.000 12.403 . 34 PHE AAA CE2 . 1 ATOM 565 H HE2 . PHE AAA 1 34 HE2 . PHE 34 0.761 29.488 11.184 1.000 12.126 . 34 PHE AAA HE2 c 1 ATOM 566 C C . PHE AAA 1 34 C . PHE 34 4.323 24.238 13.960 1.000 10.445 . 34 PHE AAA C . 1 ATOM 567 O O . PHE AAA 1 34 O . PHE 34 5.540 24.357 14.104 1.000 10.446 . 34 PHE AAA O . 1 ATOM 569 N N . GLU AAA 1 35 N . GLU 35 3.624 23.390 14.699 1.000 10.255 . 35 GLU AAA N . 1 ATOM 570 H H . GLU AAA 1 35 H . GLU 35 2.732 23.246 14.589 1.000 10.381 . 35 GLU AAA H c 1 ATOM 571 C CA . GLU AAA 1 35 CA . GLU 35 4.240 22.608 15.767 1.000 10.596 . 35 GLU AAA CA . 1 ATOM 572 H HA . GLU AAA 1 35 HA . GLU 35 4.951 23.146 16.183 1.000 10.538 . 35 GLU AAA HA c 1 ATOM 573 C CB . GLU AAA 1 35 CB . GLU 35 3.210 22.222 16.835 1.000 10.593 . 35 GLU AAA CB . 1 ATOM 574 H HB3 . GLU AAA 1 35 HB3 . GLU 35 3.591 21.512 17.394 1.000 10.626 . 35 GLU AAA HB3 c 1 ATOM 575 H HB2 . GLU AAA 1 35 HB2 . GLU 35 2.417 21.859 16.389 1.000 10.626 . 35 GLU AAA HB2 c 1 ATOM 576 C CG . GLU AAA 1 35 CG . GLU 35 2.789 23.374 17.724 1.000 10.732 . 35 GLU AAA CG . 1 ATOM 577 H HG3 . GLU AAA 1 35 HG3 . GLU 35 2.020 23.093 18.265 1.000 10.795 . 35 GLU AAA HG3 c 1 ATOM 578 H HG2 . GLU AAA 1 35 HG2 . GLU 35 2.495 24.119 17.159 1.000 10.793 . 35 GLU AAA HG2 c 1 ATOM 579 C CD . GLU AAA 1 35 CD . GLU 35 3.879 23.890 18.665 1.000 11.147 . 35 GLU AAA CD . 1 ATOM 580 O OE1 . GLU AAA 1 35 OE1 . GLU 35 5.002 23.320 18.677 1.000 10.612 . 35 GLU AAA OE1 . 1 ATOM 581 O OE2 . GLU AAA 1 35 OE2 . GLU 35 3.626 24.893 19.383 1.000 11.634 . 35 GLU AAA OE2 . 1 ATOM 582 C C . GLU AAA 1 35 C . GLU 35 4.865 21.354 15.147 1.000 10.637 . 35 GLU AAA C . 1 ATOM 583 O O . GLU AAA 1 35 O . GLU 35 5.972 20.934 15.523 1.000 10.751 . 35 GLU AAA O . 1 ATOM 585 N N . SER AAA 1 36 N . SER 36 4.158 20.712 14.221 1.000 10.872 . 36 SER AAA N . 1 ATOM 586 H H . SER AAA 1 36 H . SER 36 3.371 21.020 13.882 1.000 10.809 . 36 SER AAA H c 1 ATOM 587 C CA . SER AAA 1 36 CA . SER 36 4.536 19.372 13.675 1.000 10.821 . 36 SER AAA CA . 1 ATOM 588 H HA . SER AAA 1 36 HA . SER 36 5.477 19.194 13.943 1.000 10.903 . 36 SER AAA HA c 1 ATOM 589 C CB . SER AAA 1 36 CB . SER 36 3.682 18.315 14.288 1.000 10.820 . 36 SER AAA CB . 1 ATOM 590 H HB3 . SER AAA 1 36 HB3 . SER 36 3.673 18.426 15.266 1.000 10.371 . 36 SER AAA HB3 c 1 ATOM 591 H HB2 . SER AAA 1 36 HB2 . SER 36 4.055 17.429 14.082 1.000 10.375 . 36 SER AAA HB2 c 1 ATOM 592 O OG . SER AAA 1 36 OG . SER 36 2.355 18.403 13.786 1.000 9.036 . 36 SER AAA OG . 1 ATOM 593 H HG . SER AAA 1 36 HG . SER 36 1.890 17.796 14.147 0.000 9.060 . 36 SER AAA HG c 1 ATOM 594 C C . SER AAA 1 36 C . SER 36 4.460 19.226 12.156 1.000 11.210 . 36 SER AAA C . 1 ATOM 595 O O . SER AAA 1 36 O . SER 36 4.855 18.166 11.642 1.000 11.406 . 36 SER AAA O . 1 ATOM 597 N N . ASN AAA 1 37 N . ASN 37 3.970 20.241 11.455 1.000 11.870 . 37 ASN AAA N . 1 ATOM 598 H H . ASN AAA 1 37 H . ASN 37 3.757 21.045 11.820 1.000 11.775 . 37 ASN AAA H c 1 ATOM 599 C CA . ASN AAA 1 37 CA . ASN 37 3.746 20.163 10.005 1.000 12.186 . 37 ASN AAA CA . 1 ATOM 600 H HA . ASN AAA 1 37 HA . ASN 37 3.283 20.984 9.724 1.000 12.186 . 37 ASN AAA HA c 1 ATOM 601 C CB . ASN AAA 1 37 CB . ASN 37 5.056 20.070 9.207 1.000 13.655 . 37 ASN AAA CB . 1 ATOM 602 H HB3 . ASN AAA 1 37 HB3 . ASN 37 5.397 19.154 9.259 1.000 13.648 . 37 ASN AAA HB3 c 1 ATOM 603 H HB2 . ASN AAA 1 37 HB2 . ASN 37 5.718 20.664 9.616 1.000 13.661 . 37 ASN AAA HB2 c 1 ATOM 604 C CG . ASN AAA 1 37 CG . ASN 37 4.878 20.456 7.738 1.000 15.340 . 37 ASN AAA CG . 1 ATOM 605 O OD1 . ASN AAA 1 37 OD1 . ASN 37 3.893 21.137 7.419 1.000 17.232 . 37 ASN AAA OD1 . 1 ATOM 606 N ND2 . ASN AAA 1 37 ND2 . ASN 37 5.815 20.048 6.864 1.000 16.595 . 37 ASN AAA ND2 . 1 ATOM 607 H HD21 . ASN AAA 1 37 HD21 . ASN 37 5.742 20.255 6.010 0.000 16.610 . 37 ASN AAA HD21 c 1 ATOM 608 H HD22 . ASN AAA 1 37 HD22 . ASN 37 6.505 19.574 7.148 0.000 16.610 . 37 ASN AAA HD22 c 1 ATOM 609 C C . ASN AAA 1 37 C . ASN 37 2.816 18.971 9.740 1.000 11.127 . 37 ASN AAA C . 1 ATOM 610 O O . ASN AAA 1 37 O . ASN 37 3.011 18.247 8.737 1.000 11.237 . 37 ASN AAA O . 1 ATOM 612 N N . PHE AAA 1 38 N . PHE 38 1.822 18.772 10.631 1.000 11.741 . 38 PHE AAA N . 1 ATOM 613 H H . PHE AAA 1 38 H . PHE 38 1.707 19.300 11.363 1.000 11.634 . 38 PHE AAA H c 1 ATOM 614 C CA . PHE AAA 1 38 CA . PHE 38 0.787 17.719 10.547 1.000 11.910 . 38 PHE AAA CA . 1 ATOM 615 H HA . PHE AAA 1 38 HA . PHE 38 0.164 17.838 11.307 1.000 11.869 . 38 PHE AAA HA c 1 ATOM 616 C CB . PHE AAA 1 38 CB . PHE 38 -0.010 17.861 9.241 1.000 11.557 . 38 PHE AAA CB . 1 ATOM 617 H HB3 . PHE AAA 1 38 HB3 . PHE 38 -0.672 17.140 9.207 1.000 11.680 . 38 PHE AAA HB3 c 1 ATOM 618 H HB2 . PHE AAA 1 38 HB2 . PHE 38 0.604 17.733 8.489 1.000 11.681 . 38 PHE AAA HB2 c 1 ATOM 619 C CG . PHE AAA 1 38 CG . PHE 38 -0.720 19.159 9.064 1.000 11.729 . 38 PHE AAA CG . 1 ATOM 620 C CD1 . PHE AAA 1 38 CD1 . PHE 38 -1.208 19.870 10.155 1.000 12.131 . 38 PHE AAA CD1 . 1 ATOM 621 H HD1 . PHE AAA 1 38 HD1 . PHE 38 -1.098 19.543 11.032 1.000 12.020 . 38 PHE AAA HD1 c 1 ATOM 622 C CE1 . PHE AAA 1 38 CE1 . PHE 38 -1.883 21.070 9.925 1.000 11.938 . 38 PHE AAA CE1 . 1 ATOM 623 H HE1 . PHE AAA 1 38 HE1 . PHE 38 -2.224 21.562 10.653 1.000 12.184 . 38 PHE AAA HE1 c 1 ATOM 624 C CZ . PHE AAA 1 38 CZ . PHE 38 -2.063 21.531 8.639 1.000 12.841 . 38 PHE AAA CZ . 1 ATOM 625 H HZ . PHE AAA 1 38 HZ . PHE 38 -2.510 22.350 8.497 1.000 12.546 . 38 PHE AAA HZ c 1 ATOM 626 C CD2 . PHE AAA 1 38 CD2 . PHE 38 -0.896 19.654 7.780 1.000 12.403 . 38 PHE AAA CD2 . 1 ATOM 627 H HD2 . PHE AAA 1 38 HD2 . PHE 38 -0.572 19.161 7.043 1.000 12.295 . 38 PHE AAA HD2 c 1 ATOM 628 C CE2 . PHE AAA 1 38 CE2 . PHE 38 -1.577 20.835 7.567 1.000 12.675 . 38 PHE AAA CE2 . 1 ATOM 629 H HE2 . PHE AAA 1 38 HE2 . PHE 38 -1.693 21.165 6.690 1.000 12.600 . 38 PHE AAA HE2 c 1 ATOM 630 C C . PHE AAA 1 38 C . PHE 38 1.382 16.288 10.645 1.000 12.221 . 38 PHE AAA C . 1 ATOM 631 O O . PHE AAA 1 38 O . PHE 38 0.695 15.343 10.257 1.000 11.491 . 38 PHE AAA O . 1 ATOM 633 N N . ASN AAA 1 39 N . ASN 39 2.594 16.142 11.174 1.000 11.895 . 39 ASN AAA N . 1 ATOM 634 H H . ASN AAA 1 39 H . ASN 39 3.073 16.846 11.491 1.000 12.031 . 39 ASN AAA H c 1 ATOM 635 C CA . ASN AAA 1 39 CA . ASN 39 3.290 14.844 11.341 1.000 12.167 . 39 ASN AAA CA . 1 ATOM 636 H HA . ASN AAA 1 39 HA . ASN 39 2.897 14.202 10.705 1.000 12.106 . 39 ASN AAA HA c 1 ATOM 637 C CB . ASN AAA 1 39 CB . ASN 39 4.769 15.018 10.964 1.000 11.972 . 39 ASN AAA CB . 1 ATOM 638 H HB3 . ASN AAA 1 39 HB3 . ASN 39 5.211 15.565 11.645 1.000 12.146 . 39 ASN AAA HB3 c 1 ATOM 639 H HB2 . ASN AAA 1 39 HB2 . ASN 39 4.828 15.489 10.107 1.000 12.141 . 39 ASN AAA HB2 c 1 ATOM 640 C CG . ASN AAA 1 39 CG . ASN 39 5.491 13.672 10.852 1.000 12.497 . 39 ASN AAA CG . 1 ATOM 641 O OD1 . ASN AAA 1 39 OD1 . ASN 39 4.925 12.614 11.171 1.000 11.726 . 39 ASN AAA OD1 . 1 ATOM 642 N ND2 . ASN AAA 1 39 ND2 . ASN 39 6.755 13.744 10.414 1.000 14.048 . 39 ASN AAA ND2 . 1 ATOM 643 H HD21 . ASN AAA 1 39 HD21 . ASN 39 7.234 13.005 10.323 0.000 14.050 . 39 ASN AAA HD21 c 1 ATOM 644 H HD22 . ASN AAA 1 39 HD22 . ASN 39 7.114 14.527 10.208 0.000 14.050 . 39 ASN AAA HD22 c 1 ATOM 645 C C . ASN AAA 1 39 C . ASN 39 3.098 14.293 12.765 1.000 12.328 . 39 ASN AAA C . 1 ATOM 646 O O . ASN AAA 1 39 O . ASN 39 3.698 14.836 13.696 1.000 12.028 . 39 ASN AAA O . 1 ATOM 648 N N . THR AAA 1 40 N . THR 40 2.363 13.206 12.930 1.000 12.055 . 40 THR AAA N . 1 ATOM 649 H H . THR AAA 1 40 H . THR 40 1.961 12.749 12.255 1.000 11.988 . 40 THR AAA H c 1 ATOM 650 C CA . THR AAA 1 40 CA . THR 40 2.170 12.585 14.276 1.000 11.509 . 40 THR AAA CA . 1 ATOM 651 H HA . THR AAA 1 40 HA . THR 40 1.799 13.272 14.873 1.000 11.659 . 40 THR AAA HA c 1 ATOM 652 C CB . THR AAA 1 40 CB . THR 40 1.197 11.402 14.236 1.000 11.668 . 40 THR AAA CB . 1 ATOM 653 H HB . THR AAA 1 40 HB . THR 40 1.043 11.119 15.167 1.000 11.557 . 40 THR AAA HB c 1 ATOM 654 O OG1 . THR AAA 1 40 OG1 . THR 40 1.733 10.298 13.521 1.000 10.663 . 40 THR AAA OG1 . 1 ATOM 655 H HG1 . THR AAA 1 40 HG1 . THR 40 1.170 9.665 13.517 0.000 10.620 . 40 THR AAA HG1 c 1 ATOM 656 C CG2 . THR AAA 1 40 CG2 . THR 40 -0.136 11.819 13.646 1.000 12.286 . 40 THR AAA CG2 . 1 ATOM 657 H HG21 . THR AAA 1 40 HG21 . THR 40 -0.533 12.515 14.197 1.000 12.098 . 40 THR AAA HG21 c 1 ATOM 658 H HG22 . THR AAA 1 40 HG22 . THR 40 -0.732 11.049 13.621 1.000 12.098 . 40 THR AAA HG22 c 1 ATOM 659 H HG23 . THR AAA 1 40 HG23 . THR 40 -0.007 12.155 12.743 1.000 12.097 . 40 THR AAA HG23 c 1 ATOM 660 C C . THR AAA 1 40 C . THR 40 3.496 12.110 14.863 1.000 11.576 . 40 THR AAA C . 1 ATOM 661 O O . THR AAA 1 40 O . THR 40 3.582 11.964 16.078 1.000 12.659 . 40 THR AAA O . 1 ATOM 663 N N . GLN AAA 1 41 N . GLN 41 4.485 11.828 14.049 1.000 11.688 . 41 GLN AAA N . 1 ATOM 664 H H . GLN AAA 1 41 H . GLN 41 4.450 11.930 13.145 1.000 11.717 . 41 GLN AAA H c 1 ATOM 665 C CA . GLN AAA 1 41 CA . GLN 41 5.765 11.273 14.575 1.000 11.914 . 41 GLN AAA CA . 1 ATOM 666 H HA . GLN AAA 1 41 HA . GLN 41 5.557 10.787 15.406 1.000 12.066 . 41 GLN AAA HA c 1 ATOM 667 C CB . GLN AAA 1 41 CB . GLN 41 6.353 10.272 13.598 1.000 12.194 . 41 GLN AAA CB . 1 ATOM 668 H HB3 . GLN AAA 1 41 HB3 . GLN 41 7.177 9.913 13.988 1.000 12.434 . 41 GLN AAA HB3 c 1 ATOM 669 H HB2 . GLN AAA 1 41 HB2 . GLN 41 6.598 10.752 12.780 1.000 12.427 . 41 GLN AAA HB2 c 1 ATOM 670 C CG . GLN AAA 1 41 CG . GLN 41 5.444 9.114 13.230 1.000 13.518 . 41 GLN AAA CG . 1 ATOM 671 H HG3 . GLN AAA 1 41 HG3 . GLN 41 4.762 9.420 12.595 1.000 13.282 . 41 GLN AAA HG3 c 1 ATOM 672 H HG2 . GLN AAA 1 41 HG2 . GLN 41 4.990 8.783 14.034 1.000 13.284 . 41 GLN AAA HG2 c 1 ATOM 673 C CD . GLN AAA 1 41 CD . GLN 41 6.256 7.980 12.601 1.000 13.914 . 41 GLN AAA CD . 1 ATOM 674 O OE1 . GLN AAA 1 41 OE1 . GLN 41 7.010 7.314 13.325 1.000 15.269 . 41 GLN AAA OE1 . 1 ATOM 675 N NE2 . GLN AAA 1 41 NE2 . GLN 41 6.075 7.749 11.289 1.000 13.207 . 41 GLN AAA NE2 . 1 ATOM 676 H HE21 . GLN AAA 1 41 HE21 . GLN 41 6.529 7.106 10.885 0.000 13.130 . 41 GLN AAA HE21 c 1 ATOM 677 H HE22 . GLN AAA 1 41 HE22 . GLN 41 5.505 8.242 10.826 0.000 13.130 . 41 GLN AAA HE22 c 1 ATOM 678 C C . GLN AAA 1 41 C . GLN 41 6.787 12.361 14.922 1.000 12.676 . 41 GLN AAA C . 1 ATOM 679 O O . GLN AAA 1 41 O . GLN 41 7.881 12.000 15.290 1.000 12.665 . 41 GLN AAA O . 1 ATOM 681 N N . ALA AAA 1 42 N . ALA 42 6.454 13.647 14.820 1.000 12.463 . 42 ALA AAA N . 1 ATOM 682 H H . ALA AAA 1 42 H . ALA 42 5.639 13.959 14.562 1.000 12.402 . 42 ALA AAA H c 1 ATOM 683 C CA . ALA AAA 1 42 CA . ALA 42 7.425 14.715 15.127 1.000 12.034 . 42 ALA AAA CA . 1 ATOM 684 H HA . ALA AAA 1 42 HA . ALA 42 8.219 14.596 14.556 1.000 12.173 . 42 ALA AAA HA c 1 ATOM 685 C CB . ALA AAA 1 42 CB . ALA 42 6.780 16.042 14.812 1.000 11.943 . 42 ALA AAA CB . 1 ATOM 686 H HB3 . ALA AAA 1 42 HB3 . ALA 42 5.983 16.155 15.358 1.000 11.972 . 42 ALA AAA HB3 c 1 ATOM 687 H HB2 . ALA AAA 1 42 HB2 . ALA 42 6.533 16.069 13.872 1.000 11.972 . 42 ALA AAA HB2 c 1 ATOM 688 H HB1 . ALA AAA 1 42 HB1 . ALA 42 7.405 16.761 15.002 1.000 11.971 . 42 ALA AAA HB1 c 1 ATOM 689 C C . ALA AAA 1 42 C . ALA 42 7.857 14.652 16.610 1.000 12.406 . 42 ALA AAA C . 1 ATOM 690 O O . ALA AAA 1 42 O . ALA 42 7.015 14.453 17.504 1.000 12.383 . 42 ALA AAA O . 1 ATOM 692 N N . THR AAA 1 43 N . THR 43 9.146 14.823 16.851 1.000 13.251 . 43 THR AAA N . 1 ATOM 693 H H . THR AAA 1 43 H . THR 43 9.775 14.858 16.201 1.000 13.214 . 43 THR AAA H c 1 ATOM 694 C CA . THR AAA 1 43 CA . THR 43 9.716 14.891 18.202 1.000 13.772 . 43 THR AAA CA . 1 ATOM 695 H HA . THR AAA 1 43 HA . THR 43 9.017 15.162 18.835 1.000 13.505 . 43 THR AAA HA c 1 ATOM 696 C CB . THR AAA 1 43 CB . THR 43 10.337 13.536 18.651 1.000 13.468 . 43 THR AAA CB . 1 ATOM 697 H HB . THR AAA 1 43 HB . THR 43 10.687 13.662 19.565 1.000 13.719 . 43 THR AAA HB c 1 ATOM 698 O OG1 . THR AAA 1 43 OG1 . THR 43 11.440 13.143 17.803 1.000 14.618 . 43 THR AAA OG1 . 1 ATOM 699 H HG1 . THR AAA 1 43 HG1 . THR 43 11.758 12.401 18.070 0.000 14.610 . 43 THR AAA HG1 c 1 ATOM 700 C CG2 . THR AAA 1 43 CG2 . THR 43 9.316 12.417 18.694 1.000 13.368 . 43 THR AAA CG2 . 1 ATOM 701 H HG21 . THR AAA 1 43 HG21 . THR 43 8.594 12.658 19.300 1.000 13.398 . 43 THR AAA HG21 c 1 ATOM 702 H HG22 . THR AAA 1 43 HG22 . THR 43 9.742 11.599 19.008 1.000 13.398 . 43 THR AAA HG22 c 1 ATOM 703 H HG23 . THR AAA 1 43 HG23 . THR 43 8.954 12.270 17.801 1.000 13.397 . 43 THR AAA HG23 c 1 ATOM 704 C C . THR AAA 1 43 C . THR 43 10.795 15.947 18.153 1.000 13.245 . 43 THR AAA C . 1 ATOM 705 O O . THR AAA 1 43 O . THR 43 11.465 16.138 17.106 1.000 13.350 . 43 THR AAA O . 1 ATOM 707 N N . ASN AAA 1 44 N . ASN 44 10.959 16.672 19.256 1.000 13.938 . 44 ASN AAA N . 1 ATOM 708 H H . ASN AAA 1 44 H . ASN 44 10.483 16.536 20.021 1.000 13.769 . 44 ASN AAA H c 1 ATOM 709 C CA . ASN AAA 1 44 CA . ASN 44 11.931 17.768 19.325 1.000 13.936 . 44 ASN AAA CA . 1 ATOM 710 H HA . ASN AAA 1 44 HA . ASN 44 12.703 17.532 18.760 1.000 14.029 . 44 ASN AAA HA c 1 ATOM 711 C CB . ASN AAA 1 44 CB . ASN 44 11.328 19.063 18.771 1.000 15.320 . 44 ASN AAA CB . 1 ATOM 712 H HB3 . ASN AAA 1 44 HB3 . ASN 44 11.918 19.811 18.996 1.000 15.048 . 44 ASN AAA HB3 c 1 ATOM 713 H HB2 . ASN AAA 1 44 HB2 . ASN 44 10.461 19.220 19.198 1.000 15.044 . 44 ASN AAA HB2 c 1 ATOM 714 C CG . ASN AAA 1 44 CG . ASN 44 11.140 19.010 17.256 1.000 15.631 . 44 ASN AAA CG . 1 ATOM 715 O OD1 . ASN AAA 1 44 OD1 . ASN 44 12.157 19.115 16.545 1.000 17.583 . 44 ASN AAA OD1 . 1 ATOM 716 N ND2 . ASN AAA 1 44 ND2 . ASN 44 9.889 18.865 16.780 1.000 16.225 . 44 ASN AAA ND2 . 1 ATOM 717 H HD21 . ASN AAA 1 44 HD21 . ASN 44 9.750 18.830 15.908 0.000 16.080 . 44 ASN AAA HD21 c 1 ATOM 718 H HD22 . ASN AAA 1 44 HD22 . ASN 44 9.208 18.805 17.339 0.000 16.080 . 44 ASN AAA HD22 c 1 ATOM 719 C C . ASN AAA 1 44 C . ASN 44 12.411 17.910 20.770 1.000 13.131 . 44 ASN AAA C . 1 ATOM 720 O O . ASN AAA 1 44 O . ASN 44 11.589 18.083 21.696 1.000 13.989 . 44 ASN AAA O . 1 ATOM 722 N N . ARG AAA 1 45 N . ARG 45 13.743 17.882 20.937 1.000 13.614 . 45 ARG AAA N . 1 ATOM 723 H H . ARG AAA 1 45 H . ARG 45 14.337 17.796 20.251 1.000 13.862 . 45 ARG AAA H c 1 ATOM 724 C CA . ARG AAA 1 45 CA . ARG 45 14.347 17.996 22.268 1.000 15.232 . 45 ARG AAA CA . 1 ATOM 725 H HA . ARG AAA 1 45 HA . ARG 45 13.786 17.504 22.907 1.000 14.484 . 45 ARG AAA HA c 1 ATOM 726 C CB . ARG AAA 1 45 CB . ARG 45 15.766 17.418 22.292 1.000 14.288 . 45 ARG AAA CB . 1 ATOM 727 H HB3 . ARG AAA 1 45 HB3 . ARG 45 16.378 18.066 21.886 1.000 14.738 . 45 ARG AAA HB3 c 1 ATOM 728 H HB2 . ARG AAA 1 45 HB2 . ARG 45 15.784 16.603 21.750 1.000 14.741 . 45 ARG AAA HB2 c 1 ATOM 729 C CG . ARG AAA 1 45 CG . ARG 45 16.250 17.092 23.699 1.000 15.299 . 45 ARG AAA CG . 1 ATOM 730 H HG3 . ARG AAA 1 45 HG3 . ARG 45 16.073 17.844 24.304 1.000 15.037 . 45 ARG AAA HG3 c 1 ATOM 731 H HG2 . ARG AAA 1 45 HG2 . ARG 45 17.213 16.905 23.693 1.000 15.039 . 45 ARG AAA HG2 c 1 ATOM 732 C CD . ARG AAA 1 45 CD . ARG 45 15.485 15.862 24.160 1.000 15.233 . 45 ARG AAA CD . 1 ATOM 733 H HD3 . ARG AAA 1 45 HD3 . ARG 45 15.665 15.135 23.531 1.000 15.171 . 45 ARG AAA HD3 c 1 ATOM 734 H HD2 . ARG AAA 1 45 HD2 . ARG 45 14.528 16.058 24.105 1.000 15.143 . 45 ARG AAA HD2 c 1 ATOM 735 N NE . ARG AAA 1 45 NE . ARG 45 15.771 15.393 25.509 0.500 14.837 . 45 ARG AAA NE . 1 ATOM 736 H HE . ARG AAA 1 45 HE . ARG 45 15.198 15.582 26.136 0.500 14.679 . 45 ARG AAA HE c 1 ATOM 737 C CZ . ARG AAA 1 45 CZ . ARG 45 16.848 14.670 25.846 0.500 14.035 . 45 ARG AAA CZ . 1 ATOM 738 N NH1 . ARG AAA 1 45 NH1 . ARG 45 17.736 14.317 24.948 0.500 14.419 . 45 ARG AAA NH1 . 1 ATOM 739 H HH11 . ARG AAA 1 45 HH11 . ARG 45 17.650 14.571 24.113 0.500 14.293 . 45 ARG AAA HH11 c 1 ATOM 740 H HH12 . ARG AAA 1 45 HH12 . ARG 45 18.434 13.842 25.192 0.500 14.291 . 45 ARG AAA HH12 c 1 ATOM 741 N NH2 . ARG AAA 1 45 NH2 . ARG 45 17.011 14.255 27.086 0.500 13.295 . 45 ARG AAA NH2 . 1 ATOM 742 H HH21 . ARG AAA 1 45 HH21 . ARG 45 16.422 14.474 27.703 0.500 13.601 . 45 ARG AAA HH21 c 1 ATOM 743 H HH22 . ARG AAA 1 45 HH22 . ARG 45 17.722 13.780 27.299 0.500 13.601 . 45 ARG AAA HH22 c 1 ATOM 744 C C . ARG AAA 1 45 C . ARG 45 14.358 19.471 22.653 1.000 13.936 . 45 ARG AAA C . 1 ATOM 745 O O . ARG AAA 1 45 O . ARG 45 14.668 20.367 21.831 1.000 14.193 . 45 ARG AAA O . 1 ATOM 747 N N . ASN AAA 1 46 N . ASN 46 14.037 19.714 23.917 1.000 15.159 . 46 ASN AAA N . 1 ATOM 748 H H . ASN AAA 1 46 H . ASN 46 13.782 19.060 24.498 1.000 14.831 . 46 ASN AAA H c 1 ATOM 749 C CA . ASN AAA 1 46 CA . ASN 46 14.064 21.063 24.510 1.000 15.023 . 46 ASN AAA CA . 1 ATOM 750 H HA . ASN AAA 1 46 HA . ASN 46 14.010 21.732 23.787 1.000 15.001 . 46 ASN AAA HA c 1 ATOM 751 C CB . ASN AAA 1 46 CB . ASN 46 12.871 21.272 25.439 1.000 15.128 . 46 ASN AAA CB . 1 ATOM 752 H HB3 . ASN AAA 1 46 HB3 . ASN 46 12.918 22.177 25.810 1.000 15.428 . 46 ASN AAA HB3 c 1 ATOM 753 H HB2 . ASN AAA 1 46 HB2 . ASN 46 12.941 20.639 26.183 1.000 15.421 . 46 ASN AAA HB2 c 1 ATOM 754 C CG . ASN AAA 1 46 CG . ASN 46 11.533 21.089 24.768 1.000 16.570 . 46 ASN AAA CG . 1 ATOM 755 O OD1 . ASN AAA 1 46 OD1 . ASN 46 11.358 21.563 23.633 1.000 17.705 . 46 ASN AAA OD1 . 1 ATOM 756 N ND2 . ASN AAA 1 46 ND2 . ASN 46 10.579 20.454 25.463 1.000 14.427 . 46 ASN AAA ND2 . 1 ATOM 757 H HD21 . ASN AAA 1 46 HD21 . ASN 46 9.783 20.326 25.104 0.000 14.430 . 46 ASN AAA HD21 c 1 ATOM 758 H HD22 . ASN AAA 1 46 HD22 . ASN 46 10.750 20.162 26.279 0.000 14.430 . 46 ASN AAA HD22 c 1 ATOM 759 C C . ASN AAA 1 46 C . ASN 46 15.395 21.227 25.242 1.000 14.669 . 46 ASN AAA C . 1 ATOM 760 O O . ASN AAA 1 46 O . ASN 46 15.978 20.253 25.652 1.000 13.746 . 46 ASN AAA O . 1 ATOM 762 N N . THR AAA 1 47 N . THR 47 15.835 22.459 25.403 1.000 14.224 . 47 THR AAA N . 1 ATOM 763 H H . THR AAA 1 47 H . THR 47 15.374 23.195 25.130 1.000 14.447 . 47 THR AAA H c 1 ATOM 764 C CA . THR AAA 1 47 CA . THR 47 17.101 22.787 26.091 1.000 14.658 . 47 THR AAA CA . 1 ATOM 765 H HA . THR AAA 1 47 HA . THR 47 17.824 22.377 25.562 1.000 14.696 . 47 THR AAA HA c 1 ATOM 766 C CB . THR AAA 1 47 CB . THR 47 17.336 24.308 26.083 1.000 16.091 . 47 THR AAA CB . 1 ATOM 767 H HB . THR AAA 1 47 HB . THR 47 18.201 24.478 26.527 1.000 16.356 . 47 THR AAA HB c 1 ATOM 768 O OG1 . THR AAA 1 47 OG1 . THR 47 16.322 25.021 26.793 1.000 18.258 . 47 THR AAA OG1 . 1 ATOM 769 H HG1 . THR AAA 1 47 HG1 . THR 47 16.482 25.852 26.765 0.000 18.200 . 47 THR AAA HG1 c 1 ATOM 770 C CG2 . THR AAA 1 47 CG2 . THR 47 17.420 24.844 24.679 1.000 16.962 . 47 THR AAA CG2 . 1 ATOM 771 H HG21 . THR AAA 1 47 HG21 . THR 47 18.145 24.399 24.204 1.000 16.693 . 47 THR AAA HG21 c 1 ATOM 772 H HG22 . THR AAA 1 47 HG22 . THR 47 17.592 25.802 24.707 1.000 16.693 . 47 THR AAA HG22 c 1 ATOM 773 H HG23 . THR AAA 1 47 HG23 . THR 47 16.583 24.682 24.213 1.000 16.702 . 47 THR AAA HG23 c 1 ATOM 774 C C . THR AAA 1 47 C . THR 47 17.172 22.184 27.503 1.000 13.946 . 47 THR AAA C . 1 ATOM 775 O O . THR AAA 1 47 O . THR 47 18.301 21.922 27.972 1.000 14.534 . 47 THR AAA O . 1 ATOM 777 N N . ASP AAA 1 48 N . ASP 48 16.037 22.031 28.195 1.000 15.112 . 48 ASP AAA N . 1 ATOM 778 H H . ASP AAA 1 48 H . ASP 48 15.208 22.209 27.866 1.000 14.609 . 48 ASP AAA H c 1 ATOM 779 C CA . ASP AAA 1 48 CA . ASP 48 16.086 21.562 29.601 1.000 14.172 . 48 ASP AAA CA . 1 ATOM 780 H HA . ASP AAA 1 48 HA . ASP 48 16.905 21.921 30.017 1.000 14.284 . 48 ASP AAA HA c 1 ATOM 781 C CB . ASP AAA 1 48 CB . ASP 48 14.899 22.114 30.368 1.000 14.583 . 48 ASP AAA CB . 1 ATOM 782 H HB3 . ASP AAA 1 48 HB3 . ASP 48 14.879 23.087 30.259 1.000 14.768 . 48 ASP AAA HB3 c 1 ATOM 783 H HB2 . ASP AAA 1 48 HB2 . ASP 48 15.020 21.919 31.319 1.000 14.767 . 48 ASP AAA HB2 c 1 ATOM 784 C CG . ASP AAA 1 48 CG . ASP 48 13.559 21.567 29.943 1.000 15.832 . 48 ASP AAA CG . 1 ATOM 785 O OD1 . ASP AAA 1 48 OD1 . ASP 48 13.499 20.912 28.883 1.000 15.370 . 48 ASP AAA OD1 . 1 ATOM 786 O OD2 . ASP AAA 1 48 OD2 . ASP 48 12.551 21.867 30.622 1.000 15.265 . 48 ASP AAA OD2 . 1 ATOM 787 C C . ASP AAA 1 48 C . ASP 48 16.131 20.017 29.692 1.000 13.463 . 48 ASP AAA C . 1 ATOM 788 O O . ASP AAA 1 48 O . ASP 48 16.109 19.480 30.810 1.000 13.524 . 48 ASP AAA O . 1 ATOM 790 N N . GLY AAA 1 49 N . GLY 49 16.111 19.327 28.570 1.000 14.698 . 49 GLY AAA N . 1 ATOM 791 H H . GLY AAA 1 49 H . GLY 49 16.046 19.706 27.746 1.000 14.055 . 49 GLY AAA H c 1 ATOM 792 C CA . GLY AAA 1 49 CA . GLY 49 16.174 17.858 28.581 1.000 13.259 . 49 GLY AAA CA . 1 ATOM 793 H HA3 . GLY AAA 1 49 HA3 . GLY 49 16.488 17.553 29.469 1.000 13.499 . 49 GLY AAA HA3 c 1 ATOM 794 H HA2 . GLY AAA 1 49 HA2 . GLY 49 16.840 17.565 27.910 1.000 13.499 . 49 GLY AAA HA2 c 1 ATOM 795 C C . GLY AAA 1 49 C . GLY 49 14.855 17.214 28.276 1.000 12.910 . 49 GLY AAA C . 1 ATOM 796 O O . GLY AAA 1 49 O . GLY 49 14.835 16.015 28.035 1.000 13.040 . 49 GLY AAA O . 1 ATOM 798 N N . SER AAA 1 50 N . SER 50 13.763 17.964 28.354 1.000 12.322 . 50 SER AAA N . 1 ATOM 799 H H . SER AAA 1 50 H . SER 50 13.744 18.840 28.600 1.000 12.430 . 50 SER AAA H c 1 ATOM 800 C CA . SER AAA 1 50 CA . SER 50 12.433 17.412 28.038 1.000 12.186 . 50 SER AAA CA . 1 ATOM 801 H HA . SER AAA 1 50 HA . SER 50 12.365 16.508 28.449 1.000 11.797 . 50 SER AAA HA c 1 ATOM 802 C CB . SER AAA 1 50 CB . SER 50 11.327 18.278 28.594 1.000 11.212 . 50 SER AAA CB . 1 ATOM 803 H HB3 . SER AAA 1 50 HB3 . SER 50 11.447 18.367 29.567 1.000 11.584 . 50 SER AAA HB3 c 1 ATOM 804 H HB2 . SER AAA 1 50 HB2 . SER 50 10.465 17.834 28.437 1.000 11.595 . 50 SER AAA HB2 c 1 ATOM 805 O OG . SER AAA 1 50 OG . SER 50 11.304 19.568 28.007 1.000 11.837 . 50 SER AAA OG . 1 ATOM 806 H HG . SER AAA 1 50 HG . SER 50 10.668 20.011 28.352 0.000 11.840 . 50 SER AAA HG c 1 ATOM 807 C C . SER AAA 1 50 C . SER 50 12.327 17.261 26.513 1.000 11.027 . 50 SER AAA C . 1 ATOM 808 O O . SER AAA 1 50 O . SER 50 13.162 17.819 25.754 1.000 11.626 . 50 SER AAA O . 1 ATOM 810 N N . THR AAA 1 51 N . THR 51 11.261 16.616 26.073 1.000 11.485 . 51 THR AAA N . 1 ATOM 811 H H . THR AAA 1 51 H . THR 51 10.624 16.234 26.601 1.000 11.365 . 51 THR AAA H c 1 ATOM 812 C CA . THR AAA 1 51 CA . THR 51 11.018 16.454 24.628 1.000 11.437 . 51 THR AAA CA . 1 ATOM 813 H HA . THR AAA 1 51 HA . THR 51 11.565 17.112 24.142 1.000 11.373 . 51 THR AAA HA c 1 ATOM 814 C CB . THR AAA 1 51 CB . THR 51 11.425 15.038 24.180 1.000 11.734 . 51 THR AAA CB . 1 ATOM 815 H HB . THR AAA 1 51 HB . THR 51 10.888 14.398 24.701 1.000 11.633 . 51 THR AAA HB c 1 ATOM 816 O OG1 . THR AAA 1 51 OG1 . THR 51 12.804 14.753 24.419 1.000 11.564 . 51 THR AAA OG1 . 1 ATOM 817 H HG1 . THR AAA 1 51 HG1 . THR 51 12.982 13.964 24.157 0.000 11.510 . 51 THR AAA HG1 c 1 ATOM 818 C CG2 . THR AAA 1 51 CG2 . THR 51 11.130 14.815 22.712 1.000 11.745 . 51 THR AAA CG2 . 1 ATOM 819 H HG21 . THR AAA 1 51 HG21 . THR 51 10.168 14.831 22.563 1.000 11.739 . 51 THR AAA HG21 c 1 ATOM 820 H HG22 . THR AAA 1 51 HG22 . THR 51 11.484 13.949 22.438 1.000 11.742 . 51 THR AAA HG22 c 1 ATOM 821 H HG23 . THR AAA 1 51 HG23 . THR 51 11.551 15.517 22.184 1.000 11.747 . 51 THR AAA HG23 c 1 ATOM 822 C C . THR AAA 1 51 C . THR 51 9.550 16.724 24.335 1.000 10.772 . 51 THR AAA C . 1 ATOM 823 O O . THR AAA 1 51 O . THR 51 8.667 16.446 25.154 1.000 11.381 . 51 THR AAA O . 1 ATOM 825 N N . ASP AAA 1 52 N . ASP 52 9.290 17.266 23.155 1.000 10.647 . 52 ASP AAA N . 1 ATOM 826 H H . ASP AAA 1 52 H . ASP 52 9.949 17.484 22.564 1.000 10.832 . 52 ASP AAA H c 1 ATOM 827 C CA . ASP AAA 1 52 CA . ASP 52 7.921 17.577 22.655 1.000 11.307 . 52 ASP AAA CA . 1 ATOM 828 H HA . ASP AAA 1 52 HA . ASP 52 7.302 17.592 23.420 1.000 11.529 . 52 ASP AAA HA c 1 ATOM 829 C CB . ASP AAA 1 52 CB . ASP 52 7.854 18.932 21.947 1.000 12.497 . 52 ASP AAA CB . 1 ATOM 830 H HB3 . ASP AAA 1 52 HB3 . ASP 52 6.993 19.011 21.496 1.000 12.228 . 52 ASP AAA HB3 c 1 ATOM 831 H HB2 . ASP AAA 1 52 HB2 . ASP 52 8.563 18.983 21.274 1.000 12.235 . 52 ASP AAA HB2 c 1 ATOM 832 C CG . ASP AAA 1 52 CG . ASP 52 8.012 20.097 22.916 1.000 12.644 . 52 ASP AAA CG . 1 ATOM 833 O OD1 . ASP AAA 1 52 OD1 . ASP 52 8.006 19.844 24.141 1.000 13.313 . 52 ASP AAA OD1 . 1 ATOM 834 O OD2 . ASP AAA 1 52 OD2 . ASP 52 8.134 21.255 22.451 1.000 13.612 . 52 ASP AAA OD2 . 1 ATOM 835 C C . ASP AAA 1 52 C . ASP 52 7.524 16.449 21.729 1.000 12.014 . 52 ASP AAA C . 1 ATOM 836 O O . ASP AAA 1 52 O . ASP 52 8.360 16.048 20.892 1.000 11.609 . 52 ASP AAA O . 1 ATOM 838 N N . TYR AAA 1 53 N . TYR 53 6.309 15.942 21.858 1.000 11.727 . 53 TYR AAA N . 1 ATOM 839 H H . TYR AAA 1 53 H . TYR 53 5.682 16.228 22.453 1.000 11.851 . 53 TYR AAA H c 1 ATOM 840 C CA . TYR AAA 1 53 CA . TYR 53 5.853 14.824 21.003 1.000 11.969 . 53 TYR AAA CA . 1 ATOM 841 H HA . TYR AAA 1 53 HA . TYR 53 6.551 14.639 20.326 1.000 11.688 . 53 TYR AAA HA c 1 ATOM 842 C CB . TYR AAA 1 53 CB . TYR 53 5.649 13.562 21.844 1.000 11.015 . 53 TYR AAA CB . 1 ATOM 843 H HB3 . TYR AAA 1 53 HB3 . TYR 53 5.347 12.838 21.255 1.000 10.972 . 53 TYR AAA HB3 c 1 ATOM 844 H HB2 . TYR AAA 1 53 HB2 . TYR 53 4.940 13.733 22.499 1.000 10.976 . 53 TYR AAA HB2 c 1 ATOM 845 C CG . TYR AAA 1 53 CG . TYR 53 6.882 13.120 22.565 1.000 9.983 . 53 TYR AAA CG . 1 ATOM 846 C CD1 . TYR AAA 1 53 CD1 . TYR 53 7.298 13.723 23.750 1.000 9.513 . 53 TYR AAA CD1 . 1 ATOM 847 H HD1 . TYR AAA 1 53 HD1 . TYR 53 6.795 14.434 24.113 1.000 9.822 . 53 TYR AAA HD1 c 1 ATOM 848 C CE1 . TYR AAA 1 53 CE1 . TYR 53 8.444 13.278 24.417 1.000 10.317 . 53 TYR AAA CE1 . 1 ATOM 849 H HE1 . TYR AAA 1 53 HE1 . TYR 53 8.711 13.695 25.218 1.000 10.006 . 53 TYR AAA HE1 c 1 ATOM 850 C CZ . TYR AAA 1 53 CZ . TYR 53 9.188 12.231 23.912 1.000 9.785 . 53 TYR AAA CZ . 1 ATOM 851 O OH . TYR AAA 1 53 OH . TYR 53 10.322 11.796 24.604 1.000 9.764 . 53 TYR AAA OH . 1 ATOM 852 H HH . TYR AAA 1 53 HH . TYR 53 10.096 11.531 25.391 0.000 9.740 . 53 TYR AAA HH c 1 ATOM 853 C CE2 . TYR AAA 1 53 CE2 . TYR 53 8.805 11.636 22.715 1.000 9.937 . 53 TYR AAA CE2 . 1 ATOM 854 H HE2 . TYR AAA 1 53 HE2 . TYR 53 9.292 10.902 22.378 1.000 9.883 . 53 TYR AAA HE2 c 1 ATOM 855 C CD2 . TYR AAA 1 53 CD2 . TYR 53 7.638 12.047 22.086 1.000 9.807 . 53 TYR AAA CD2 . 1 ATOM 856 H HD2 . TYR AAA 1 53 HD2 . TYR 53 7.387 11.635 21.276 1.000 9.899 . 53 TYR AAA HD2 c 1 ATOM 857 C C . TYR AAA 1 53 C . TYR 53 4.515 14.993 20.281 1.000 11.718 . 53 TYR AAA C . 1 ATOM 858 O O . TYR AAA 1 53 O . TYR 53 3.553 15.544 20.783 1.000 11.492 . 53 TYR AAA O . 1 ATOM 860 N N . GLY AAA 1 54 N . GLY 54 4.500 14.535 19.028 1.000 11.389 . 54 GLY AAA N . 1 ATOM 861 H H . GLY AAA 1 54 H . GLY 54 5.243 14.221 18.605 1.000 11.589 . 54 GLY AAA H c 1 ATOM 862 C CA . GLY AAA 1 54 CA . GLY 54 3.273 14.502 18.230 1.000 11.901 . 54 GLY AAA CA . 1 ATOM 863 H HA3 . GLY AAA 1 54 HA3 . GLY 54 2.533 14.228 18.826 1.000 11.706 . 54 GLY AAA HA3 c 1 ATOM 864 H HA2 . GLY AAA 1 54 HA2 . GLY 54 3.371 13.784 17.561 1.000 11.704 . 54 GLY AAA HA2 c 1 ATOM 865 C C . GLY AAA 1 54 C . GLY 54 2.843 15.761 17.504 1.000 11.570 . 54 GLY AAA C . 1 ATOM 866 O O . GLY AAA 1 54 O . GLY 54 3.538 16.762 17.498 1.000 11.308 . 54 GLY AAA O . 1 ATOM 868 N N . ILE AAA 1 55 N . ILE 55 1.640 15.697 16.933 1.000 11.610 . 55 ILE AAA N . 1 ATOM 869 H H . ILE AAA 1 55 H . ILE 55 1.110 14.963 17.014 1.000 11.650 . 55 ILE AAA H c 1 ATOM 870 C CA . ILE AAA 1 55 CA . ILE 55 1.036 16.766 16.131 1.000 11.731 . 55 ILE AAA CA . 1 ATOM 871 H HA . ILE AAA 1 55 HA . ILE 55 1.586 16.880 15.341 1.000 11.734 . 55 ILE AAA HA c 1 ATOM 872 C CB . ILE AAA 1 55 CB . ILE 55 -0.381 16.386 15.656 1.000 12.699 . 55 ILE AAA CB . 1 ATOM 873 H HB . ILE AAA 1 55 HB . ILE 55 -0.760 17.158 15.169 1.000 12.742 . 55 ILE AAA HB c 1 ATOM 874 C CG1 . ILE AAA 1 55 CG1 . ILE 55 -1.295 16.075 16.843 1.000 13.818 . 55 ILE AAA CG1 . 1 ATOM 875 H HG12 . ILE AAA 1 55 HG12 . ILE 55 -1.076 16.675 17.585 1.000 14.238 . 55 ILE AAA HG12 c 1 ATOM 876 H HG13 . ILE AAA 1 55 HG13 . ILE 55 -1.131 15.157 17.139 1.000 14.264 . 55 ILE AAA HG13 c 1 ATOM 877 C CG2 . ILE AAA 1 55 CG2 . ILE 55 -0.293 15.223 14.703 1.000 12.842 . 55 ILE AAA CG2 . 1 ATOM 878 H HG21 . ILE AAA 1 55 HG21 . ILE 55 0.310 15.443 13.972 1.000 12.798 . 55 ILE AAA HG21 c 1 ATOM 879 H HG22 . ILE AAA 1 55 HG22 . ILE 55 -1.177 15.028 14.344 1.000 12.805 . 55 ILE AAA HG22 c 1 ATOM 880 C CD1 . ILE AAA 1 55 CD1 . ILE 55 -2.744 16.220 16.525 1.000 17.187 . 55 ILE AAA CD1 . 1 ATOM 881 H HD11 . ILE AAA 1 55 HD11 . ILE 55 -2.927 17.135 16.248 1.000 16.068 . 55 ILE AAA HD11 c 1 ATOM 882 H HD12 . ILE AAA 1 55 HD12 . ILE 55 -3.273 16.011 17.315 1.000 16.068 . 55 ILE AAA HD12 c 1 ATOM 883 H HD13 . ILE AAA 1 55 HD13 . ILE 55 -2.983 15.611 15.806 1.000 16.061 . 55 ILE AAA HD13 c 1 ATOM 884 H HG23 . ILE AAA 1 55 HG23 . ILE 55 0.041 14.441 15.172 1.000 12.803 . 55 ILE AAA HG23 c 1 ATOM 885 C C . ILE AAA 1 55 C . ILE 55 0.988 18.109 16.865 1.000 10.985 . 55 ILE AAA C . 1 ATOM 886 O O . ILE AAA 1 55 O . ILE 55 0.965 19.138 16.206 1.000 10.890 . 55 ILE AAA O . 1 ATOM 888 N N . LEU AAA 1 56 N . LEU 56 0.878 18.092 18.180 1.000 11.654 . 56 LEU AAA N . 1 ATOM 889 H H . LEU AAA 1 56 H . LEU 56 0.842 17.328 18.675 1.000 11.465 . 56 LEU AAA H c 1 ATOM 890 C CA . LEU AAA 1 56 CA . LEU 56 0.781 19.339 18.966 1.000 11.508 . 56 LEU AAA CA . 1 ATOM 891 H HA . LEU AAA 1 56 HA . LEU 56 0.811 20.095 18.340 1.000 11.363 . 56 LEU AAA HA c 1 ATOM 892 C CB . LEU AAA 1 56 CB . LEU 56 -0.556 19.359 19.700 1.000 11.445 . 56 LEU AAA CB . 1 ATOM 893 H HB3 . LEU AAA 1 56 HB3 . LEU 56 -0.505 20.008 20.430 1.000 11.613 . 56 LEU AAA HB3 c 1 ATOM 894 H HB2 . LEU AAA 1 56 HB2 . LEU 56 -0.707 18.477 20.096 1.000 11.616 . 56 LEU AAA HB2 c 1 ATOM 895 C CG . LEU AAA 1 56 CG . LEU 56 -1.760 19.714 18.812 1.000 12.129 . 56 LEU AAA CG . 1 ATOM 896 H HG . LEU AAA 1 56 HG . LEU 56 -1.755 19.110 18.029 1.000 12.363 . 56 LEU AAA HG c 1 ATOM 897 C CD1 . LEU AAA 1 56 CD1 . LEU 56 -3.059 19.501 19.565 1.000 13.379 . 56 LEU AAA CD1 . 1 ATOM 898 H HD11 . LEU AAA 1 56 HD11 . LEU 56 -3.130 18.569 19.834 1.000 12.981 . 56 LEU AAA HD11 c 1 ATOM 899 H HD12 . LEU AAA 1 56 HD12 . LEU 56 -3.810 19.730 18.990 1.000 12.981 . 56 LEU AAA HD12 c 1 ATOM 900 H HD13 . LEU AAA 1 56 HD13 . LEU 56 -3.073 20.068 20.356 1.000 12.981 . 56 LEU AAA HD13 c 1 ATOM 901 C CD2 . LEU AAA 1 56 CD2 . LEU 56 -1.621 21.158 18.305 1.000 12.883 . 56 LEU AAA CD2 . 1 ATOM 902 H HD21 . LEU AAA 1 56 HD21 . LEU 56 -1.490 21.756 19.062 1.000 12.644 . 56 LEU AAA HD21 c 1 ATOM 903 H HD22 . LEU AAA 1 56 HD22 . LEU 56 -2.430 21.413 17.828 1.000 12.644 . 56 LEU AAA HD22 c 1 ATOM 904 H HD23 . LEU AAA 1 56 HD23 . LEU 56 -0.859 21.223 17.705 1.000 12.640 . 56 LEU AAA HD23 c 1 ATOM 905 C C . LEU AAA 1 56 C . LEU 56 1.984 19.461 19.893 1.000 10.672 . 56 LEU AAA C . 1 ATOM 906 O O . LEU AAA 1 56 O . LEU 56 1.930 20.269 20.820 1.000 10.571 . 56 LEU AAA O . 1 ATOM 908 N N . GLN AAA 1 57 N . GLN 57 3.029 18.688 19.671 1.000 10.649 . 57 GLN AAA N . 1 ATOM 909 H H . GLN AAA 1 57 H . GLN 57 3.037 18.037 19.039 1.000 10.723 . 57 GLN AAA H c 1 ATOM 910 C CA . GLN AAA 1 57 CA . GLN 57 4.311 18.810 20.423 1.000 10.913 . 57 GLN AAA CA . 1 ATOM 911 H HA . GLN AAA 1 57 HA . GLN 57 4.821 17.980 20.283 1.000 11.030 . 57 GLN AAA HA c 1 ATOM 912 C CB . GLN AAA 1 57 CB . GLN 57 5.105 19.976 19.827 1.000 10.781 . 57 GLN AAA CB . 1 ATOM 913 H HB3 . GLN AAA 1 57 HB3 . GLN 57 5.871 20.172 20.401 1.000 10.676 . 57 GLN AAA HB3 c 1 ATOM 914 H HB2 . GLN AAA 1 57 HB2 . GLN 57 4.532 20.771 19.806 1.000 10.667 . 57 GLN AAA HB2 c 1 ATOM 915 C CG . GLN AAA 1 57 CG . GLN 57 5.587 19.678 18.443 1.000 10.171 . 57 GLN AAA CG . 1 ATOM 916 H HG3 . GLN AAA 1 57 HG3 . GLN 57 5.924 20.504 18.037 1.000 10.311 . 57 GLN AAA HG3 c 1 ATOM 917 H HG2 . GLN AAA 1 57 HG2 . GLN 57 4.836 19.360 17.899 1.000 10.309 . 57 GLN AAA HG2 c 1 ATOM 918 C CD . GLN AAA 1 57 CD . GLN 57 6.678 18.644 18.428 1.000 10.165 . 57 GLN AAA CD . 1 ATOM 919 O OE1 . GLN AAA 1 57 OE1 . GLN 57 7.842 18.981 18.690 1.000 11.171 . 57 GLN AAA OE1 . 1 ATOM 920 N NE2 . GLN AAA 1 57 NE2 . GLN 57 6.334 17.376 18.113 1.000 9.440 . 57 GLN AAA NE2 . 1 ATOM 921 H HE21 . GLN AAA 1 57 HE21 . GLN 57 6.950 16.739 18.093 0.000 9.580 . 57 GLN AAA HE21 c 1 ATOM 922 H HE22 . GLN AAA 1 57 HE22 . GLN 57 5.492 17.177 17.931 0.000 9.580 . 57 GLN AAA HE22 c 1 ATOM 923 C C . GLN AAA 1 57 C . GLN 57 4.091 18.980 21.914 1.000 11.997 . 57 GLN AAA C . 1 ATOM 924 O O . GLN AAA 1 57 O . GLN 57 4.558 19.970 22.506 1.000 11.808 . 57 GLN AAA O . 1 ATOM 926 N N . ILE AAA 1 58 N . ILE 58 3.480 17.976 22.518 1.000 12.329 . 58 ILE AAA N . 1 ATOM 927 H H . ILE AAA 1 58 H . ILE 58 3.181 17.243 22.067 1.000 12.301 . 58 ILE AAA H c 1 ATOM 928 C CA . ILE AAA 1 58 CA . ILE 58 3.213 17.922 23.976 1.000 12.563 . 58 ILE AAA CA . 1 ATOM 929 H HA . ILE AAA 1 58 HA . ILE 58 2.938 18.812 24.260 1.000 12.479 . 58 ILE AAA HA c 1 ATOM 930 C CB . ILE AAA 1 58 CB . ILE 58 2.059 16.967 24.263 1.000 12.250 . 58 ILE AAA CB . 1 ATOM 931 H HB . ILE AAA 1 58 HB . ILE 58 2.241 16.102 23.823 1.000 12.494 . 58 ILE AAA HB c 1 ATOM 932 C CG1 . ILE AAA 1 58 CG1 . ILE 58 0.770 17.557 23.689 1.000 12.411 . 58 ILE AAA CG1 . 1 ATOM 933 H HG12 . ILE AAA 1 58 HG12 . ILE 58 0.903 17.735 22.734 1.000 12.488 . 58 ILE AAA HG12 c 1 ATOM 934 H HG13 . ILE AAA 1 58 HG13 . ILE 58 0.594 18.414 24.132 1.000 12.488 . 58 ILE AAA HG13 c 1 ATOM 935 C CG2 . ILE AAA 1 58 CG2 . ILE 58 1.938 16.751 25.759 1.000 13.040 . 58 ILE AAA CG2 . 1 ATOM 936 H HG21 . ILE AAA 1 58 HG21 . ILE 58 2.758 16.353 26.100 1.000 12.791 . 58 ILE AAA HG21 c 1 ATOM 937 H HG22 . ILE AAA 1 58 HG22 . ILE 58 1.194 16.155 25.945 1.000 12.791 . 58 ILE AAA HG22 c 1 ATOM 938 C CD1 . ILE AAA 1 58 CD1 . ILE 58 -0.437 16.676 23.848 1.000 12.911 . 58 ILE AAA CD1 . 1 ATOM 939 H HD11 . ILE AAA 1 58 HD11 . ILE 58 -0.243 15.790 23.495 1.000 12.755 . 58 ILE AAA HD11 c 1 ATOM 940 H HD12 . ILE AAA 1 58 HD12 . ILE 58 -1.187 17.062 23.362 1.000 12.755 . 58 ILE AAA HD12 c 1 ATOM 941 H HD13 . ILE AAA 1 58 HD13 . ILE 58 -0.666 16.606 24.789 1.000 12.754 . 58 ILE AAA HD13 c 1 ATOM 942 H HG23 . ILE AAA 1 58 HG23 . ILE 58 1.787 17.604 26.200 1.000 12.790 . 58 ILE AAA HG23 c 1 ATOM 943 C C . ILE AAA 1 58 C . ILE 58 4.518 17.579 24.695 1.000 12.646 . 58 ILE AAA C . 1 ATOM 944 O O . ILE AAA 1 58 O . ILE 58 5.148 16.598 24.380 1.000 11.600 . 58 ILE AAA O . 1 ATOM 946 N N . ASN AAA 1 59 N . ASN 59 4.813 18.369 25.729 1.000 12.841 . 59 ASN AAA N . 1 ATOM 947 H H . ASN AAA 1 59 H . ASN 59 4.227 19.000 26.028 1.000 12.891 . 59 ASN AAA H c 1 ATOM 948 C CA . ASN AAA 1 59 CA . ASN 59 6.049 18.335 26.512 1.000 13.224 . 59 ASN AAA CA . 1 ATOM 949 H HA . ASN AAA 1 59 HA . ASN 59 6.796 18.162 25.893 1.000 13.400 . 59 ASN AAA HA c 1 ATOM 950 C CB . ASN AAA 1 59 CB . ASN 59 6.268 19.711 27.117 1.000 14.918 . 59 ASN AAA CB . 1 ATOM 951 H HB3 . ASN AAA 1 59 HB3 . ASN 59 5.658 19.827 27.874 1.000 14.745 . 59 ASN AAA HB3 c 1 ATOM 952 H HB2 . ASN AAA 1 59 HB2 . ASN 59 6.052 20.391 26.446 1.000 14.746 . 59 ASN AAA HB2 c 1 ATOM 953 C CG . ASN AAA 1 59 CG . ASN 59 7.682 19.918 27.587 1.000 16.038 . 59 ASN AAA CG . 1 ATOM 954 O OD1 . ASN AAA 1 59 OD1 . ASN 59 8.313 18.954 28.045 1.000 19.511 . 59 ASN AAA OD1 . 1 ATOM 955 N ND2 . ASN AAA 1 59 ND2 . ASN 59 8.182 21.146 27.456 1.000 18.153 . 59 ASN AAA ND2 . 1 ATOM 956 H HD21 . ASN AAA 1 59 HD21 . ASN 59 9.009 21.320 27.720 0.000 18.080 . 59 ASN AAA HD21 c 1 ATOM 957 H HD22 . ASN AAA 1 59 HD22 . ASN 59 7.688 21.790 27.106 0.000 18.080 . 59 ASN AAA HD22 c 1 ATOM 958 C C . ASN AAA 1 59 C . ASN 59 6.059 17.251 27.603 1.000 12.948 . 59 ASN AAA C . 1 ATOM 959 O O . ASN AAA 1 59 O . ASN 59 5.166 17.159 28.461 1.000 13.272 . 59 ASN AAA O . 1 ATOM 961 N N . SER AAA 1 60 N . SER 60 7.129 16.463 27.634 1.000 13.475 . 60 SER AAA N . 1 ATOM 962 H H . SER AAA 1 60 H . SER 60 7.801 16.515 27.021 1.000 13.096 . 60 SER AAA H c 1 ATOM 963 C CA . SER AAA 1 60 CA . SER 60 7.378 15.414 28.651 1.000 12.444 . 60 SER AAA CA . 1 ATOM 964 H HA . SER AAA 1 60 HA . SER 60 6.560 14.852 28.717 1.000 12.630 . 60 SER AAA HA c 1 ATOM 965 C CB . SER AAA 1 60 CB . SER 60 8.518 14.544 28.194 1.000 12.058 . 60 SER AAA CB . 1 ATOM 966 H HB3 . SER AAA 1 60 HB3 . SER 60 8.328 14.224 27.285 1.000 11.825 . 60 SER AAA HB3 c 1 ATOM 967 H HB2 . SER AAA 1 60 HB2 . SER 60 8.572 13.757 28.782 1.000 11.827 . 60 SER AAA HB2 c 1 ATOM 968 O OG . SER AAA 1 60 OG . SER 60 9.772 15.209 28.197 1.000 10.767 . 60 SER AAA OG . 1 ATOM 969 H HG . SER AAA 1 60 HG . SER 60 10.364 14.663 27.931 0.000 10.670 . 60 SER AAA HG c 1 ATOM 970 C C . SER AAA 1 60 C . SER 60 7.650 16.037 30.049 1.000 12.816 . 60 SER AAA C . 1 ATOM 971 O O . SER AAA 1 60 O . SER 60 7.734 15.303 31.039 1.000 13.491 . 60 SER AAA O . 1 ATOM 973 N N . ARG AAA 1 61 N . ARG 61 7.889 17.336 30.145 1.000 13.397 . 61 ARG AAA N . 1 ATOM 974 H H . ARG AAA 1 61 H . ARG 61 7.898 17.899 29.433 1.000 13.359 . 61 ARG AAA H c 1 ATOM 975 C CA . ARG AAA 1 61 CA . ARG 61 8.200 17.979 31.440 1.000 13.791 . 61 ARG AAA CA . 1 ATOM 976 H HA . ARG AAA 1 61 HA . ARG 61 8.958 17.501 31.847 1.000 13.907 . 61 ARG AAA HA c 1 ATOM 977 C CB . ARG AAA 1 61 CB . ARG 61 8.608 19.454 31.219 1.000 14.585 . 61 ARG AAA CB . 1 ATOM 978 H HB3 . ARG AAA 1 61 HB3 . ARG 61 7.920 19.883 30.667 1.000 14.685 . 61 ARG AAA HB3 c 1 ATOM 979 H HB2 . ARG AAA 1 61 HB2 . ARG 61 9.445 19.467 30.710 1.000 14.688 . 61 ARG AAA HB2 c 1 ATOM 980 C CG . ARG AAA 1 61 CG . ARG 61 8.799 20.287 32.488 1.000 15.895 . 61 ARG AAA CG . 1 ATOM 981 H HG3 . ARG AAA 1 61 HG3 . ARG 61 8.117 20.035 33.143 1.000 15.653 . 61 ARG AAA HG3 c 1 ATOM 982 H HG2 . ARG AAA 1 61 HG2 . ARG 61 8.655 21.232 32.267 1.000 15.645 . 61 ARG AAA HG2 c 1 ATOM 983 C CD . ARG AAA 1 61 CD . ARG 61 10.152 20.153 33.118 0.500 16.188 . 61 ARG AAA CD . 1 ATOM 984 H HD3 . ARG AAA 1 61 HD3 . ARG 61 10.809 20.631 32.569 0.500 16.106 . 61 ARG AAA HD3 c 1 ATOM 985 H HD2 . ARG AAA 1 61 HD2 . ARG 61 10.406 19.206 33.132 0.500 16.106 . 61 ARG AAA HD2 c 1 ATOM 986 N NE . ARG AAA 1 61 NE . ARG 61 10.194 20.676 34.472 0.500 16.134 . 61 ARG AAA NE . 1 ATOM 987 H HE . ARG AAA 1 61 HE . ARG 61 10.677 21.388 34.618 0.500 16.385 . 61 ARG AAA HE c 1 ATOM 988 C CZ . ARG AAA 1 61 CZ . ARG 61 9.629 20.094 35.517 0.500 16.865 . 61 ARG AAA CZ . 1 ATOM 989 N NH1 . ARG AAA 1 61 NH1 . ARG 61 8.868 19.015 35.385 0.500 18.244 . 61 ARG AAA NH1 . 1 ATOM 990 H HH11 . ARG AAA 1 61 HH11 . ARG 61 8.784 18.628 34.603 0.500 17.701 . 61 ARG AAA HH11 c 1 ATOM 991 H HH12 . ARG AAA 1 61 HH12 . ARG 61 8.489 18.662 36.095 0.500 17.710 . 61 ARG AAA HH12 c 1 ATOM 992 N NH2 . ARG AAA 1 61 NH2 . ARG 61 9.730 20.650 36.700 0.500 17.158 . 61 ARG AAA NH2 . 1 ATOM 993 H HH21 . ARG AAA 1 61 HH21 . ARG 61 10.212 21.380 36.802 0.500 17.065 . 61 ARG AAA HH21 c 1 ATOM 994 H HH22 . ARG AAA 1 61 HH22 . ARG 61 9.331 20.280 37.394 0.500 17.065 . 61 ARG AAA HH22 c 1 ATOM 995 C C . ARG AAA 1 61 C . ARG 61 6.978 17.842 32.368 1.000 13.998 . 61 ARG AAA C . 1 ATOM 996 O O . ARG AAA 1 61 O . ARG 61 7.130 17.683 33.598 1.000 13.843 . 61 ARG AAA O . 1 ATOM 998 N N . TRP AAA 1 62 N . TRP 62 5.764 17.943 31.831 1.000 14.741 . 62 TRP AAA N . 1 ATOM 999 H H . TRP AAA 1 62 H . TRP 62 5.627 18.032 30.936 1.000 14.262 . 62 TRP AAA H c 1 ATOM 1000 C CA . TRP AAA 1 62 CA . TRP 62 4.513 17.969 32.621 1.000 13.518 . 62 TRP AAA CA . 1 ATOM 1001 H HA . TRP AAA 1 62 HA . TRP 62 4.748 17.772 33.556 1.000 14.070 . 62 TRP AAA HA c 1 ATOM 1002 C CB . TRP AAA 1 62 CB . TRP 62 3.864 19.339 32.595 1.000 14.726 . 62 TRP AAA CB . 1 ATOM 1003 H HB3 . TRP AAA 1 62 HB3 . TRP 62 3.109 19.327 33.217 1.000 14.848 . 62 TRP AAA HB3 c 1 ATOM 1004 H HB2 . TRP AAA 1 62 HB2 . TRP 62 3.503 19.486 31.696 1.000 14.852 . 62 TRP AAA HB2 c 1 ATOM 1005 C CG . TRP AAA 1 62 CG . TRP 62 4.754 20.479 32.944 1.000 16.621 . 62 TRP AAA CG . 1 ATOM 1006 C CD1 . TRP AAA 1 62 CD1 . TRP 62 5.072 21.511 32.123 1.000 17.176 . 62 TRP AAA CD1 . 1 ATOM 1007 H HD1 . TRP AAA 1 62 HD1 . TRP 62 4.784 21.610 31.228 1.000 17.510 . 62 TRP AAA HD1 c 1 ATOM 1008 N NE1 . TRP AAA 1 62 NE1 . TRP 62 5.904 22.375 32.773 1.000 18.442 . 62 TRP AAA NE1 . 1 ATOM 1009 H HE1 . TRP AAA 1 62 HE1 . TRP 62 6.227 23.113 32.427 1.000 18.276 . 62 TRP AAA HE1 c 1 ATOM 1010 C CE2 . TRP AAA 1 62 CE2 . TRP 62 6.110 21.951 34.064 1.000 18.823 . 62 TRP AAA CE2 . 1 ATOM 1011 C CD2 . TRP AAA 1 62 CD2 . TRP 62 5.416 20.730 34.208 1.000 18.033 . 62 TRP AAA CD2 . 1 ATOM 1012 C CE3 . TRP AAA 1 62 CE3 . TRP 62 5.467 20.050 35.417 1.000 18.518 . 62 TRP AAA CE3 . 1 ATOM 1013 H HE3 . TRP AAA 1 62 HE3 . TRP 62 4.989 19.246 35.543 1.000 18.727 . 62 TRP AAA HE3 c 1 ATOM 1014 C CZ3 . TRP AAA 1 62 CZ3 . TRP 62 6.194 20.606 36.431 1.000 20.099 . 62 TRP AAA CZ3 . 1 ATOM 1015 H HZ3 . TRP AAA 1 62 HZ3 . TRP 62 6.253 20.152 37.257 1.000 19.546 . 62 TRP AAA HZ3 c 1 ATOM 1016 C CH2 . TRP AAA 1 62 CH2 . TRP 62 6.927 21.791 36.251 1.000 20.135 . 62 TRP AAA CH2 . 1 ATOM 1017 H HH2 . TRP AAA 1 62 HH2 . TRP 62 7.416 22.141 36.974 1.000 20.083 . 62 TRP AAA HH2 c 1 ATOM 1018 C CZ2 . TRP AAA 1 62 CZ2 . TRP 62 6.877 22.502 35.070 1.000 21.205 . 62 TRP AAA CZ2 . 1 ATOM 1019 H HZ2 . TRP AAA 1 62 HZ2 . TRP 62 7.354 23.305 34.948 1.000 20.092 . 62 TRP AAA HZ2 c 1 ATOM 1020 C C . TRP AAA 1 62 C . TRP 62 3.464 16.950 32.166 1.000 14.015 . 62 TRP AAA C . 1 ATOM 1021 O O . TRP AAA 1 62 O . TRP 62 2.703 16.487 33.045 1.000 13.596 . 62 TRP AAA O . 1 ATOM 1023 N N . TRP AAA 1 63 N . TRP 63 3.373 16.623 30.889 1.000 13.346 . 63 TRP AAA N . 1 ATOM 1024 H H . TRP AAA 1 63 H . TRP 63 4.019 16.790 30.271 1.000 13.482 . 63 TRP AAA H c 1 ATOM 1025 C CA . TRP AAA 1 63 CA . TRP 63 2.179 15.915 30.355 1.000 13.266 . 63 TRP AAA CA . 1 ATOM 1026 H HA . TRP AAA 1 63 HA . TRP 63 1.456 16.029 31.015 1.000 13.189 . 63 TRP AAA HA c 1 ATOM 1027 C CB . TRP AAA 1 63 CB . TRP 63 1.748 16.636 29.106 1.000 12.478 . 63 TRP AAA CB . 1 ATOM 1028 H HB3 . TRP AAA 1 63 HB3 . TRP 63 0.883 16.289 28.819 1.000 12.674 . 63 TRP AAA HB3 c 1 ATOM 1029 H HB2 . TRP AAA 1 63 HB2 . TRP 63 2.403 16.469 28.400 1.000 12.674 . 63 TRP AAA HB2 c 1 ATOM 1030 C CG . TRP AAA 1 63 CG . TRP 63 1.647 18.097 29.367 1.000 12.528 . 63 TRP AAA CG . 1 ATOM 1031 C CD1 . TRP AAA 1 63 CD1 . TRP 63 2.496 19.093 28.936 1.000 12.282 . 63 TRP AAA CD1 . 1 ATOM 1032 H HD1 . TRP AAA 1 63 HD1 . TRP 63 3.269 18.975 28.407 1.000 12.566 . 63 TRP AAA HD1 c 1 ATOM 1033 N NE1 . TRP AAA 1 63 NE1 . TRP 63 2.072 20.288 29.459 1.000 12.908 . 63 TRP AAA NE1 . 1 ATOM 1034 H HE1 . TRP AAA 1 63 HE1 . TRP 63 2.451 21.059 29.310 1.000 12.836 . 63 TRP AAA HE1 c 1 ATOM 1035 C CE2 . TRP AAA 1 63 CE2 . TRP 63 0.939 20.095 30.191 1.000 12.995 . 63 TRP AAA CE2 . 1 ATOM 1036 C CD2 . TRP AAA 1 63 CD2 . TRP 63 0.646 18.712 30.184 1.000 12.104 . 63 TRP AAA CD2 . 1 ATOM 1037 C CE3 . TRP AAA 1 63 CE3 . TRP 63 -0.487 18.236 30.874 1.000 13.349 . 63 TRP AAA CE3 . 1 ATOM 1038 H HE3 . TRP AAA 1 63 HE3 . TRP 63 -0.697 17.316 30.879 1.000 13.243 . 63 TRP AAA HE3 c 1 ATOM 1039 C CZ3 . TRP AAA 1 63 CZ3 . TRP 63 -1.276 19.148 31.559 1.000 14.396 . 63 TRP AAA CZ3 . 1 ATOM 1040 H HZ3 . TRP AAA 1 63 HZ3 . TRP 63 -2.027 18.846 32.045 1.000 13.845 . 63 TRP AAA HZ3 c 1 ATOM 1041 C CH2 . TRP AAA 1 63 CH2 . TRP 63 -0.944 20.508 31.575 1.000 13.742 . 63 TRP AAA CH2 . 1 ATOM 1042 H HH2 . TRP AAA 1 63 HH2 . TRP 63 -1.500 21.102 32.047 1.000 13.581 . 63 TRP AAA HH2 c 1 ATOM 1043 C CZ2 . TRP AAA 1 63 CZ2 . TRP 63 0.155 21.022 30.903 1.000 12.869 . 63 TRP AAA CZ2 . 1 ATOM 1044 H HZ2 . TRP AAA 1 63 HZ2 . TRP 63 0.354 21.943 30.901 1.000 13.087 . 63 TRP AAA HZ2 c 1 ATOM 1045 C C . TRP AAA 1 63 C . TRP 63 2.295 14.417 30.048 1.000 13.593 . 63 TRP AAA C . 1 ATOM 1046 O O . TRP AAA 1 63 O . TRP 63 1.296 13.718 30.115 1.000 13.505 . 63 TRP AAA O . 1 ATOM 1048 N N . CYS AAA 1 64 N . CYS 64 3.468 13.881 29.713 1.000 14.170 . 64 CYS AAA N . 1 ATOM 1049 H H . CYS AAA 1 64 H . CYS 64 4.254 14.340 29.659 1.000 13.940 . 64 CYS AAA H c 1 ATOM 1050 C CA . CYS AAA 1 64 CA . CYS 64 3.595 12.466 29.385 1.000 13.795 . 64 CYS AAA CA . 1 ATOM 1051 H HA . CYS AAA 1 64 HA . CYS 64 2.857 11.983 29.815 1.000 13.670 . 64 CYS AAA HA c 1 ATOM 1052 C CB . CYS AAA 1 64 CB . CYS 64 3.498 12.243 27.874 1.000 13.757 . 64 CYS AAA CB . 1 ATOM 1053 H HB3 . CYS AAA 1 64 HB3 . CYS 64 2.628 12.564 27.562 1.000 13.436 . 64 CYS AAA HB3 c 1 ATOM 1054 H HB2 . CYS AAA 1 64 HB2 . CYS 64 3.542 11.281 27.693 1.000 13.437 . 64 CYS AAA HB2 c 1 ATOM 1055 S SG . CYS AAA 1 64 SG . CYS 64 4.795 13.067 26.898 1.000 12.411 . 64 CYS AAA SG . 1 ATOM 1056 C C . CYS AAA 1 64 C . CYS 64 4.907 11.908 29.912 1.000 12.836 . 64 CYS AAA C . 1 ATOM 1057 O O . CYS AAA 1 64 O . CYS 64 5.827 12.683 30.224 1.000 13.226 . 64 CYS AAA O . 1 ATOM 1059 N N . ASN AAA 1 65 N . ASN 65 4.985 10.594 29.983 1.000 13.840 . 65 ASN AAA N . 1 ATOM 1060 H H . ASN AAA 1 65 H . ASN 65 4.318 10.026 29.732 1.000 13.490 . 65 ASN AAA H c 1 ATOM 1061 C CA . ASN AAA 1 65 CA . ASN 65 6.210 9.957 30.495 1.000 13.381 . 65 ASN AAA CA . 1 ATOM 1062 H HA . ASN AAA 1 65 HA . ASN 65 6.726 10.624 31.002 1.000 13.627 . 65 ASN AAA HA c 1 ATOM 1063 C CB . ASN AAA 1 65 CB . ASN 65 5.879 8.813 31.437 1.000 14.342 . 65 ASN AAA CB . 1 ATOM 1064 H HB3 . ASN AAA 1 65 HB3 . ASN 65 5.251 8.202 31.001 1.000 14.123 . 65 ASN AAA HB3 c 1 ATOM 1065 H HB2 . ASN AAA 1 65 HB2 . ASN 65 5.460 9.168 32.247 1.000 14.119 . 65 ASN AAA HB2 c 1 ATOM 1066 C CG . ASN AAA 1 65 CG . ASN 65 7.148 8.068 31.804 1.000 14.379 . 65 ASN AAA CG . 1 ATOM 1067 O OD1 . ASN AAA 1 65 OD1 . ASN 65 7.229 6.863 31.505 1.000 16.416 . 65 ASN AAA OD1 . 1 ATOM 1068 N ND2 . ASN AAA 1 65 ND2 . ASN 65 8.114 8.744 32.401 1.000 15.512 . 65 ASN AAA ND2 . 1 ATOM 1069 H HD21 . ASN AAA 1 65 HD21 . ASN 65 8.866 8.339 32.627 0.000 15.390 . 65 ASN AAA HD21 c 1 ATOM 1070 H HD22 . ASN AAA 1 65 HD22 . ASN 65 8.010 9.607 32.572 0.000 15.390 . 65 ASN AAA HD22 c 1 ATOM 1071 C C . ASN AAA 1 65 C . ASN 65 7.073 9.416 29.373 1.000 13.235 . 65 ASN AAA C . 1 ATOM 1072 O O . ASN AAA 1 65 O . ASN 65 6.569 8.578 28.606 1.000 12.611 . 65 ASN AAA O . 1 ATOM 1074 N N . ASP AAA 1 66 N . ASP 66 8.318 9.856 29.258 1.000 13.419 . 66 ASP AAA N . 1 ATOM 1075 H H . ASP AAA 1 66 H . ASP 66 8.667 10.530 29.761 1.000 13.452 . 66 ASP AAA H c 1 ATOM 1076 C CA . ASP AAA 1 66 CA . ASP 66 9.227 9.282 28.247 1.000 13.742 . 66 ASP AAA CA . 1 ATOM 1077 H HA . ASP AAA 1 66 HA . ASP 66 8.724 8.593 27.755 1.000 13.416 . 66 ASP AAA HA c 1 ATOM 1078 C CB . ASP AAA 1 66 CB . ASP 66 9.667 10.314 27.220 1.000 12.670 . 66 ASP AAA CB . 1 ATOM 1079 H HB3 . ASP AAA 1 66 HB3 . ASP 66 8.873 10.699 26.802 1.000 13.068 . 66 ASP AAA HB3 c 1 ATOM 1080 H HB2 . ASP AAA 1 66 HB2 . ASP 66 10.181 9.857 26.524 1.000 13.073 . 66 ASP AAA HB2 c 1 ATOM 1081 C CG . ASP AAA 1 66 CG . ASP 66 10.521 11.457 27.755 1.000 13.334 . 66 ASP AAA CG . 1 ATOM 1082 O OD1 . ASP AAA 1 66 OD1 . ASP 66 10.896 11.447 28.974 1.000 11.583 . 66 ASP AAA OD1 . 1 ATOM 1083 O OD2 . ASP AAA 1 66 OD2 . ASP 66 10.857 12.331 26.947 1.000 12.217 . 66 ASP AAA OD2 . 1 ATOM 1084 C C . ASP AAA 1 66 C . ASP 66 10.419 8.580 28.919 1.000 13.466 . 66 ASP AAA C . 1 ATOM 1085 O O . ASP AAA 1 66 O . ASP 66 11.331 8.142 28.223 1.000 14.738 . 66 ASP AAA O . 1 ATOM 1087 N N . GLY AAA 1 67 N . GLY 67 10.439 8.537 30.244 1.000 13.670 . 67 GLY AAA N . 1 ATOM 1088 H H . GLY AAA 1 67 H . GLY 67 9.812 8.945 30.755 1.000 13.660 . 67 GLY AAA H c 1 ATOM 1089 C CA . GLY AAA 1 67 CA . GLY 67 11.471 7.850 31.014 1.000 13.820 . 67 GLY AAA CA . 1 ATOM 1090 H HA3 . GLY AAA 1 67 HA3 . GLY 67 11.576 6.933 30.655 1.000 14.054 . 67 GLY AAA HA3 c 1 ATOM 1091 H HA2 . GLY AAA 1 67 HA2 . GLY 67 11.168 7.773 31.953 1.000 14.054 . 67 GLY AAA HA2 c 1 ATOM 1092 C C . GLY AAA 1 67 C . GLY 67 12.829 8.555 30.984 1.000 15.009 . 67 GLY AAA C . 1 ATOM 1093 O O . GLY AAA 1 67 O . GLY 67 13.789 8.005 31.545 1.000 14.890 . 67 GLY AAA O . 1 ATOM 1095 N N . ARG AAA 1 68 N . ARG 68 12.935 9.743 30.375 1.000 15.266 . 68 ARG AAA N . 1 ATOM 1096 H H . ARG AAA 1 68 H . ARG 68 12.248 10.190 29.981 1.000 15.066 . 68 ARG AAA H c 1 ATOM 1097 C CA . ARG AAA 1 68 CA . ARG 68 14.250 10.425 30.340 1.000 14.697 . 68 ARG AAA CA . 1 ATOM 1098 H HA . ARG AAA 1 68 HA . ARG 68 14.824 10.022 31.031 1.000 14.936 . 68 ARG AAA HA c 1 ATOM 1099 C CB . ARG AAA 1 68 CB . ARG 68 14.886 10.165 28.976 1.000 15.438 . 68 ARG AAA CB . 1 ATOM 1100 H HB3 . ARG AAA 1 68 HB3 . ARG 68 14.828 9.206 28.778 1.000 15.614 . 68 ARG AAA HB3 c 1 ATOM 1101 H HB2 . ARG AAA 1 68 HB2 . ARG 68 15.835 10.408 29.020 1.000 15.621 . 68 ARG AAA HB2 c 1 ATOM 1102 C CG . ARG AAA 1 68 CG . ARG 68 14.224 10.942 27.851 1.000 17.012 . 68 ARG AAA CG . 1 ATOM 1103 H HG3 . ARG AAA 1 68 HG3 . ARG 68 14.075 11.870 28.122 1.000 16.759 . 68 ARG AAA HG3 c 1 ATOM 1104 H HG2 . ARG AAA 1 68 HG2 . ARG 68 13.358 10.537 27.631 1.000 16.766 . 68 ARG AAA HG2 c 1 ATOM 1105 C CD . ARG AAA 1 68 CD . ARG 68 15.120 10.909 26.639 1.000 17.629 . 68 ARG AAA CD . 1 ATOM 1106 H HD3 . ARG AAA 1 68 HD3 . ARG 68 15.071 10.016 26.236 1.000 17.580 . 68 ARG AAA HD3 c 1 ATOM 1107 H HD2 . ARG AAA 1 68 HD2 . ARG 68 16.047 11.060 26.919 1.000 17.564 . 68 ARG AAA HD2 c 1 ATOM 1108 N NE . ARG AAA 1 68 NE . ARG 68 14.767 11.892 25.645 1.000 18.022 . 68 ARG AAA NE . 1 ATOM 1109 H HE . ARG AAA 1 68 HE . ARG 68 14.225 12.531 25.884 1.000 18.610 . 68 ARG AAA HE c 1 ATOM 1110 C CZ . ARG AAA 1 68 CZ . ARG 68 15.249 11.927 24.405 1.000 20.860 . 68 ARG AAA CZ . 1 ATOM 1111 N NH1 . ARG AAA 1 68 NH1 . ARG 68 16.091 10.986 23.999 1.000 19.589 . 68 ARG AAA NH1 . 1 ATOM 1112 H HH11 . ARG AAA 1 68 HH11 . ARG 68 16.346 10.351 24.548 1.000 19.864 . 68 ARG AAA HH11 c 1 ATOM 1113 H HH12 . ARG AAA 1 68 HH12 . ARG 68 16.414 11.015 23.184 1.000 19.871 . 68 ARG AAA HH12 c 1 ATOM 1114 N NH2 . ARG AAA 1 68 NH2 . ARG 68 14.874 12.920 23.587 1.000 19.127 . 68 ARG AAA NH2 . 1 ATOM 1115 H HH21 . ARG AAA 1 68 HH21 . ARG 68 14.302 13.527 23.870 1.000 19.556 . 68 ARG AAA HH21 c 1 ATOM 1116 H HH22 . ARG AAA 1 68 HH22 . ARG 68 15.175 12.946 22.760 1.000 19.567 . 68 ARG AAA HH22 c 1 ATOM 1117 C C . ARG AAA 1 68 C . ARG 68 14.165 11.921 30.616 1.000 14.661 . 68 ARG AAA C . 1 ATOM 1118 O O . ARG AAA 1 68 O . ARG 68 14.988 12.696 30.122 1.000 15.639 . 68 ARG AAA O . 1 ATOM 1120 N N . THR AAA 1 69 N . THR 69 13.176 12.348 31.386 1.000 15.996 . 69 THR AAA N . 1 ATOM 1121 H H . THR AAA 1 69 H . THR 69 12.525 11.805 31.720 1.000 15.615 . 69 THR AAA H c 1 ATOM 1122 C CA . THR AAA 1 69 CA . THR 69 13.011 13.752 31.792 1.000 15.757 . 69 THR AAA CA . 1 ATOM 1123 H HA . THR AAA 1 69 HA . THR 69 13.800 14.267 31.510 1.000 16.006 . 69 THR AAA HA c 1 ATOM 1124 C CB . THR AAA 1 69 CB . THR 69 11.741 14.374 31.161 1.000 16.192 . 69 THR AAA CB . 1 ATOM 1125 H HB . THR AAA 1 69 HB . THR 69 10.961 13.992 31.627 1.000 15.475 . 69 THR AAA HB c 1 ATOM 1126 O OG1 . THR AAA 1 69 OG1 . THR 69 11.613 14.062 29.771 1.000 14.034 . 69 THR AAA OG1 . 1 ATOM 1127 H HG1 . THR AAA 1 69 HG1 . THR 69 10.904 14.419 29.464 0.000 14.030 . 69 THR AAA HG1 c 1 ATOM 1128 C CG2 . THR AAA 1 69 CG2 . THR 69 11.709 15.876 31.350 1.000 15.114 . 69 THR AAA CG2 . 1 ATOM 1129 H HG21 . THR AAA 1 69 HG21 . THR 69 11.792 16.089 32.296 1.000 15.444 . 69 THR AAA HG21 c 1 ATOM 1130 H HG22 . THR AAA 1 69 HG22 . THR 69 10.867 16.229 31.010 1.000 15.439 . 69 THR AAA HG22 c 1 ATOM 1131 H HG23 . THR AAA 1 69 HG23 . THR 69 12.449 16.281 30.863 1.000 15.439 . 69 THR AAA HG23 c 1 ATOM 1132 C C . THR AAA 1 69 C . THR 69 12.964 13.680 33.315 1.000 16.389 . 69 THR AAA C . 1 ATOM 1133 O O . THR AAA 1 69 O . THR 69 11.885 13.880 33.891 1.000 15.500 . 69 THR AAA O . 1 ATOM 1134 N N . PRO AAA 1 70 N . PRO 70 14.078 13.339 33.989 1.000 16.256 . 70 PRO AAA N . 1 ATOM 1135 C CA . PRO AAA 1 70 CA . PRO 70 14.074 13.174 35.446 1.000 17.272 . 70 PRO AAA CA . 1 ATOM 1136 H HA . PRO AAA 1 70 HA . PRO 70 13.575 12.350 35.674 1.000 16.809 . 70 PRO AAA HA c 1 ATOM 1137 C CB . PRO AAA 1 70 CB . PRO 70 15.562 12.968 35.785 1.000 16.538 . 70 PRO AAA CB . 1 ATOM 1138 H HB3 . PRO AAA 1 70 HB3 . PRO 70 15.777 12.015 35.864 1.000 16.757 . 70 PRO AAA HB3 c 1 ATOM 1139 H HB2 . PRO AAA 1 70 HB2 . PRO 70 15.801 13.421 36.622 1.000 16.757 . 70 PRO AAA HB2 c 1 ATOM 1140 C CG . PRO AAA 1 70 CG . PRO 70 16.278 13.585 34.617 1.000 16.746 . 70 PRO AAA CG . 1 ATOM 1141 H HG3 . PRO AAA 1 70 HG3 . PRO 70 17.180 13.215 34.526 1.000 16.887 . 70 PRO AAA HG3 c 1 ATOM 1142 H HG2 . PRO AAA 1 70 HG2 . PRO 70 16.343 14.556 34.721 1.000 16.887 . 70 PRO AAA HG2 c 1 ATOM 1143 C CD . PRO AAA 1 70 CD . PRO 70 15.428 13.228 33.421 1.000 17.573 . 70 PRO AAA CD . 1 ATOM 1144 H HD3 . PRO AAA 1 70 HD3 . PRO 70 15.610 12.323 33.110 1.000 17.054 . 70 PRO AAA HD3 c 1 ATOM 1145 H HD2 . PRO AAA 1 70 HD2 . PRO 70 15.564 13.858 32.689 1.000 17.053 . 70 PRO AAA HD2 c 1 ATOM 1146 C C . PRO AAA 1 70 C . PRO 70 13.430 14.375 36.137 1.000 16.630 . 70 PRO AAA C . 1 ATOM 1147 O O . PRO AAA 1 70 O . PRO 70 13.629 15.536 35.785 1.000 17.977 . 70 PRO AAA O . 1 ATOM 1149 N N . GLY AAA 1 71 N . GLY 71 12.576 14.086 37.093 1.000 16.257 . 71 GLY AAA N . 1 ATOM 1150 H H . GLY AAA 1 71 H . GLY 71 12.358 13.226 37.302 1.000 16.422 . 71 GLY AAA H c 1 ATOM 1151 C CA . GLY AAA 1 71 CA . GLY 71 11.883 15.092 37.925 1.000 16.575 . 71 GLY AAA CA . 1 ATOM 1152 H HA3 . GLY AAA 1 71 HA3 . GLY 71 12.503 15.842 38.108 1.000 16.774 . 71 GLY AAA HA3 c 1 ATOM 1153 H HA2 . GLY AAA 1 71 HA2 . GLY 71 11.643 14.678 38.792 1.000 16.773 . 71 GLY AAA HA2 c 1 ATOM 1154 C C . GLY AAA 1 71 C . GLY 71 10.629 15.630 37.266 1.000 17.771 . 71 GLY AAA C . 1 ATOM 1155 O O . GLY AAA 1 71 O . GLY 71 9.993 16.563 37.814 1.000 18.209 . 71 GLY AAA O . 1 ATOM 1157 N N . SER AAA 1 72 N . SER 72 10.227 15.069 36.130 1.000 16.603 . 72 SER AAA N . 1 ATOM 1158 H H . SER AAA 1 72 H . SER 72 10.622 14.349 35.737 1.000 16.892 . 72 SER AAA H c 1 ATOM 1159 C CA . SER AAA 1 72 CA . SER 72 9.044 15.566 35.385 1.000 16.701 . 72 SER AAA CA . 1 ATOM 1160 H HA . SER AAA 1 72 HA . SER 72 8.975 16.542 35.536 1.000 16.830 . 72 SER AAA HA c 1 ATOM 1161 C CB . SER AAA 1 72 CB . SER 72 9.241 15.328 33.890 1.000 17.255 . 72 SER AAA CB . 1 ATOM 1162 H HB3 . SER AAA 1 72 HB3 . SER 72 10.108 15.694 33.616 1.000 17.120 . 72 SER AAA HB3 c 1 ATOM 1163 H HB2 . SER AAA 1 72 HB2 . SER 72 8.542 15.801 33.394 1.000 17.105 . 72 SER AAA HB2 c 1 ATOM 1164 O OG . SER AAA 1 72 OG . SER 72 9.186 13.953 33.574 1.000 17.321 . 72 SER AAA OG . 1 ATOM 1165 H HG . SER AAA 1 72 HG . SER 72 9.298 13.860 32.737 0.000 17.420 . 72 SER AAA HG c 1 ATOM 1166 C C . SER AAA 1 72 C . SER 72 7.739 14.920 35.857 1.000 16.869 . 72 SER AAA C . 1 ATOM 1167 O O . SER AAA 1 72 O . SER 72 7.739 13.948 36.647 1.000 16.858 . 72 SER AAA O . 1 ATOM 1169 N N . ARG AAA 1 73 N . ARG 73 6.624 15.465 35.380 1.000 16.352 . 73 ARG AAA N . 1 ATOM 1170 H H . ARG AAA 1 73 H . ARG 73 6.612 16.198 34.839 1.000 16.679 . 73 ARG AAA H c 1 ATOM 1171 C CA . ARG AAA 1 73 CA . ARG 73 5.306 14.912 35.698 1.000 17.244 . 73 ARG AAA CA . 1 ATOM 1172 H HA . ARG AAA 1 73 HA . ARG 73 5.405 14.251 36.421 1.000 16.993 . 73 ARG AAA HA c 1 ATOM 1173 C CB . ARG AAA 1 73 CB . ARG 73 4.391 16.036 36.182 1.000 16.896 . 73 ARG AAA CB . 1 ATOM 1174 H HB3 . ARG AAA 1 73 HB3 . ARG 73 3.524 15.648 36.424 1.000 17.140 . 73 ARG AAA HB3 c 1 ATOM 1175 H HB2 . ARG AAA 1 73 HB2 . ARG 73 4.245 16.661 35.443 1.000 17.126 . 73 ARG AAA HB2 c 1 ATOM 1176 C CG . ARG AAA 1 73 CG . ARG 73 4.939 16.803 37.374 1.000 17.566 . 73 ARG AAA CG . 1 ATOM 1177 H HG3 . ARG AAA 1 73 HG3 . ARG 73 5.651 17.412 37.082 1.000 17.797 . 73 ARG AAA HG3 c 1 ATOM 1178 H HG2 . ARG AAA 1 73 HG2 . ARG 73 5.308 16.179 38.035 1.000 17.797 . 73 ARG AAA HG2 c 1 ATOM 1179 C CD . ARG AAA 1 73 CD . ARG 73 3.812 17.598 37.996 0.500 19.303 . 73 ARG AAA CD . 1 ATOM 1180 H HD3 . ARG AAA 1 73 HD3 . ARG 73 3.039 17.009 38.127 0.500 19.008 . 73 ARG AAA HD3 c 1 ATOM 1181 H HD2 . ARG AAA 1 73 HD2 . ARG 73 3.543 18.309 37.376 0.500 19.016 . 73 ARG AAA HD2 c 1 ATOM 1182 N NE . ARG AAA 1 73 NE . ARG 73 4.166 18.190 39.261 0.500 19.912 . 73 ARG AAA NE . 1 ATOM 1183 H HE . ARG AAA 1 73 HE . ARG 73 4.996 18.126 39.522 0.500 19.857 . 73 ARG AAA HE c 1 ATOM 1184 C CZ . ARG AAA 1 73 CZ . ARG 73 3.298 18.752 40.100 0.500 20.138 . 73 ARG AAA CZ . 1 ATOM 1185 N NH1 . ARG AAA 1 73 NH1 . ARG 73 2.025 18.881 39.774 0.500 21.424 . 73 ARG AAA NH1 . 1 ATOM 1186 H HH11 . ARG AAA 1 73 HH11 . ARG 73 1.733 18.551 39.013 0.500 20.927 . 73 ARG AAA HH11 c 1 ATOM 1187 H HH12 . ARG AAA 1 73 HH12 . ARG 73 1.467 19.267 40.333 0.500 20.927 . 73 ARG AAA HH12 c 1 ATOM 1188 N NH2 . ARG AAA 1 73 NH2 . ARG 73 3.725 19.247 41.235 0.500 19.965 . 73 ARG AAA NH2 . 1 ATOM 1189 H HH21 . ARG AAA 1 73 HH21 . ARG 73 4.576 19.179 41.451 0.500 20.045 . 73 ARG AAA HH21 c 1 ATOM 1190 H HH22 . ARG AAA 1 73 HH22 . ARG 73 3.158 19.641 41.783 0.500 20.045 . 73 ARG AAA HH22 c 1 ATOM 1191 C C . ARG AAA 1 73 C . ARG 73 4.736 14.208 34.464 1.000 17.188 . 73 ARG AAA C . 1 ATOM 1192 O O . ARG AAA 1 73 O . ARG 73 5.284 14.331 33.373 1.000 15.763 . 73 ARG AAA O . 1 ATOM 1194 N N . ASN AAA 1 74 N . ASN 74 3.617 13.517 34.655 1.000 16.687 . 74 ASN AAA N . 1 ATOM 1195 H H . ASN AAA 1 74 H . ASN 74 3.213 13.468 35.471 1.000 16.880 . 74 ASN AAA H c 1 ATOM 1196 C CA . ASN AAA 1 74 CA . ASN 74 2.911 12.756 33.603 1.000 17.033 . 74 ASN AAA CA . 1 ATOM 1197 H HA . ASN AAA 1 74 HA . ASN 74 3.171 13.100 32.716 1.000 16.335 . 74 ASN AAA HA c 1 ATOM 1198 C CB . ASN AAA 1 74 CB . ASN 74 3.275 11.271 33.686 1.000 16.179 . 74 ASN AAA CB . 1 ATOM 1199 H HB3 . ASN AAA 1 74 HB3 . ASN 74 3.084 10.952 34.591 1.000 16.151 . 74 ASN AAA HB3 c 1 ATOM 1200 H HB2 . ASN AAA 1 74 HB2 . ASN 74 4.236 11.175 33.529 1.000 16.156 . 74 ASN AAA HB2 c 1 ATOM 1201 C CG . ASN AAA 1 74 CG . ASN 74 2.529 10.404 32.694 1.000 15.265 . 74 ASN AAA CG . 1 ATOM 1202 O OD1 . ASN AAA 1 74 OD1 . ASN 74 1.985 10.941 31.736 1.000 14.188 . 74 ASN AAA OD1 . 1 ATOM 1203 N ND2 . ASN AAA 1 74 ND2 . ASN 74 2.512 9.084 32.918 1.000 13.874 . 74 ASN AAA ND2 . 1 ATOM 1204 H HD21 . ASN AAA 1 74 HD21 . ASN 74 2.085 8.546 32.361 0.000 13.730 . 74 ASN AAA HD21 c 1 ATOM 1205 H HD22 . ASN AAA 1 74 HD22 . ASN 74 2.924 8.750 33.625 0.000 13.730 . 74 ASN AAA HD22 c 1 ATOM 1206 C C . ASN AAA 1 74 C . ASN 74 1.411 12.987 33.827 1.000 14.714 . 74 ASN AAA C . 1 ATOM 1207 O O . ASN AAA 1 74 O . ASN 74 0.670 12.055 34.104 1.000 14.996 . 74 ASN AAA O . 1 ATOM 1209 N N . LEU AAA 1 75 N . LEU 75 0.999 14.256 33.741 1.000 16.740 . 75 LEU AAA N . 1 ATOM 1210 H H . LEU AAA 1 75 H . LEU 75 1.545 14.942 33.493 1.000 16.040 . 75 LEU AAA H c 1 ATOM 1211 C CA . LEU AAA 1 75 CA . LEU 75 -0.398 14.648 34.031 1.000 15.897 . 75 LEU AAA CA . 1 ATOM 1212 H HA . LEU AAA 1 75 HA . LEU 75 -0.614 14.294 34.922 1.000 15.801 . 75 LEU AAA HA c 1 ATOM 1213 C CB . LEU AAA 1 75 CB . LEU 75 -0.488 16.166 34.086 1.000 14.741 . 75 LEU AAA CB . 1 ATOM 1214 H HB3 . LEU AAA 1 75 HB3 . LEU 75 -1.429 16.428 34.142 1.000 15.429 . 75 LEU AAA HB3 c 1 ATOM 1215 H HB2 . LEU AAA 1 75 HB2 . LEU 75 -0.116 16.539 33.262 1.000 15.430 . 75 LEU AAA HB2 c 1 ATOM 1216 C CG . LEU AAA 1 75 CG . LEU 75 0.267 16.744 35.290 1.000 16.590 . 75 LEU AAA CG . 1 ATOM 1217 H HG . LEU AAA 1 75 HG . LEU 75 1.201 16.424 35.250 1.000 15.893 . 75 LEU AAA HG c 1 ATOM 1218 C CD1 . LEU AAA 1 75 CD1 . LEU 75 0.290 18.259 35.254 1.000 15.823 . 75 LEU AAA CD1 . 1 ATOM 1219 H HD11 . LEU AAA 1 75 HD11 . LEU 75 0.763 18.558 34.457 1.000 16.066 . 75 LEU AAA HD11 c 1 ATOM 1220 H HD12 . LEU AAA 1 75 HD12 . LEU 75 0.744 18.594 36.046 1.000 16.067 . 75 LEU AAA HD12 c 1 ATOM 1221 H HD13 . LEU AAA 1 75 HD13 . LEU 75 -0.622 18.597 35.236 1.000 16.059 . 75 LEU AAA HD13 c 1 ATOM 1222 C CD2 . LEU AAA 1 75 CD2 . LEU 75 -0.337 16.275 36.623 1.000 15.639 . 75 LEU AAA CD2 . 1 ATOM 1223 H HD21 . LEU AAA 1 75 HD21 . LEU 75 -1.291 16.468 36.633 1.000 15.925 . 75 LEU AAA HD21 c 1 ATOM 1224 H HD22 . LEU AAA 1 75 HD22 . LEU 75 0.095 16.746 37.357 1.000 15.926 . 75 LEU AAA HD22 c 1 ATOM 1225 H HD23 . LEU AAA 1 75 HD23 . LEU 75 -0.198 15.318 36.728 1.000 15.925 . 75 LEU AAA HD23 c 1 ATOM 1226 C C . LEU AAA 1 75 C . LEU 75 -1.418 14.069 33.066 1.000 15.789 . 75 LEU AAA C . 1 ATOM 1227 O O . LEU AAA 1 75 O . LEU 75 -2.624 14.088 33.413 1.000 15.651 . 75 LEU AAA O . 1 ATOM 1229 N N . CYS AAA 1 76 N . CYS 76 -1.009 13.614 31.885 1.000 15.222 . 76 CYS AAA N . 1 ATOM 1230 H H . CYS AAA 1 76 H . CYS 76 -0.151 13.631 31.580 1.000 15.234 . 76 CYS AAA H c 1 ATOM 1231 C CA . CYS AAA 1 76 CA . CYS 76 -1.971 13.052 30.914 1.000 14.721 . 76 CYS AAA CA . 1 ATOM 1232 H HA . CYS AAA 1 76 HA . CYS 76 -2.866 13.398 31.138 1.000 15.006 . 76 CYS AAA HA c 1 ATOM 1233 C CB . CYS AAA 1 76 CB . CYS 76 -1.653 13.463 29.481 1.000 15.586 . 76 CYS AAA CB . 1 ATOM 1234 H HB3 . CYS AAA 1 76 HB3 . CYS 76 -2.169 12.903 28.866 1.000 14.892 . 76 CYS AAA HB3 c 1 ATOM 1235 H HB2 . CYS AAA 1 76 HB2 . CYS 76 -0.706 13.310 29.303 1.000 14.890 . 76 CYS AAA HB2 c 1 ATOM 1236 S SG . CYS AAA 1 76 SG . CYS 76 -2.039 15.194 29.140 1.000 13.604 . 76 CYS AAA SG . 1 ATOM 1237 C C . CYS AAA 1 76 C . CYS 76 -1.976 11.537 31.120 1.000 14.866 . 76 CYS AAA C . 1 ATOM 1238 O O . CYS AAA 1 76 O . CYS 76 -2.704 10.845 30.446 1.000 14.653 . 76 CYS AAA O . 1 ATOM 1240 N N . ASN AAA 1 77 N . ASN 77 -1.161 11.064 32.067 1.000 14.622 . 77 ASN AAA N . 1 ATOM 1241 H H . ASN AAA 1 77 H . ASN 77 -0.623 11.591 32.572 1.000 14.727 . 77 ASN AAA H c 1 ATOM 1242 C CA . ASN AAA 1 77 CA . ASN 77 -1.041 9.625 32.385 1.000 14.806 . 77 ASN AAA CA . 1 ATOM 1243 H HA . ASN AAA 1 77 HA . ASN 77 -0.241 9.500 32.946 1.000 14.670 . 77 ASN AAA HA c 1 ATOM 1244 C CB A ASN AAA 1 77 CB . ASN 77 -2.263 9.146 33.198 0.500 14.274 . 77 ASN AAA CB . 1 ATOM 1245 H HB3 . ASN AAA 1 77 HB3 . ASN 77 -2.149 8.197 33.412 0.500 14.291 . 77 ASN AAA HB3 c 1 ATOM 1246 H HB2 . ASN AAA 1 77 HB2 . ASN 77 -3.066 9.237 32.646 0.500 14.290 . 77 ASN AAA HB2 c 1 ATOM 1247 C CG A ASN AAA 1 77 CG . ASN 77 -2.463 9.915 34.485 0.500 13.835 . 77 ASN AAA CG . 1 ATOM 1248 O OD1 A ASN AAA 1 77 OD1 . ASN 77 -1.620 9.849 35.395 0.500 14.076 . 77 ASN AAA OD1 . 1 ATOM 1249 N ND2 A ASN AAA 1 77 ND2 . ASN 77 -3.584 10.625 34.572 0.500 14.386 . 77 ASN AAA ND2 . 1 ATOM 1250 H HD21 . ASN AAA 1 77 HD21 . ASN 77 -3.744 11.098 35.310 0.000 14.120 . 77 ASN AAA HD21 c 1 ATOM 1251 H HD22 . ASN AAA 1 77 HD22 . ASN 77 -4.156 10.634 33.911 0.000 14.120 . 77 ASN AAA HD22 c 1 ATOM 1252 C C . ASN AAA 1 77 C . ASN 77 -0.900 8.757 31.144 1.000 14.811 . 77 ASN AAA C . 1 ATOM 1253 O O . ASN AAA 1 77 O . ASN 77 -1.637 7.775 30.991 1.000 13.647 . 77 ASN AAA O . 1 ATOM 1255 N N . ILE AAA 1 78 N . ILE 78 0.064 9.074 30.293 1.000 14.664 . 78 ILE AAA N . 1 ATOM 1256 H H . ILE AAA 1 78 H . ILE 78 0.633 9.775 30.415 1.000 14.885 . 78 ILE AAA H c 1 ATOM 1257 C CA . ILE AAA 1 78 CA . ILE 78 0.300 8.296 29.052 1.000 15.461 . 78 ILE AAA CA . 1 ATOM 1258 H HA . ILE AAA 1 78 HA . ILE 78 -0.014 7.384 29.181 1.000 15.178 . 78 ILE AAA HA c 1 ATOM 1259 C CB . ILE AAA 1 78 CB . ILE 78 -0.444 8.922 27.863 1.000 15.034 . 78 ILE AAA CB . 1 ATOM 1260 H HB . ILE AAA 1 78 HB . ILE 78 -0.110 8.476 27.046 1.000 15.291 . 78 ILE AAA HB c 1 ATOM 1261 C CG1 . ILE AAA 1 78 CG1 . ILE 78 -0.089 10.396 27.740 1.000 15.944 . 78 ILE AAA CG1 . 1 ATOM 1262 H HG12 . ILE AAA 1 78 HG12 . ILE 78 0.880 10.498 27.840 1.000 15.817 . 78 ILE AAA HG12 c 1 ATOM 1263 H HG13 . ILE AAA 1 78 HG13 . ILE 78 -0.517 10.882 28.477 1.000 15.821 . 78 ILE AAA HG13 c 1 ATOM 1264 C CG2 . ILE AAA 1 78 CG2 . ILE 78 -1.949 8.661 27.932 1.000 15.064 . 78 ILE AAA CG2 . 1 ATOM 1265 H HG21 . ILE AAA 1 78 HG21 . ILE 78 -2.112 7.703 27.975 1.000 15.055 . 78 ILE AAA HG21 c 1 ATOM 1266 H HG22 . ILE AAA 1 78 HG22 . ILE 78 -2.381 9.026 27.141 1.000 15.059 . 78 ILE AAA HG22 c 1 ATOM 1267 C CD1 . ILE AAA 1 78 CD1 . ILE 78 -0.502 11.043 26.440 1.000 16.374 . 78 ILE AAA CD1 . 1 ATOM 1268 H HD11 . ILE AAA 1 78 HD11 . ILE 78 -0.070 10.587 25.697 1.000 16.233 . 78 ILE AAA HD11 c 1 ATOM 1269 H HD12 . ILE AAA 1 78 HD12 . ILE 78 -0.234 11.978 26.444 1.000 16.234 . 78 ILE AAA HD12 c 1 ATOM 1270 H HD13 . ILE AAA 1 78 HD13 . ILE 78 -1.466 10.985 26.337 1.000 16.231 . 78 ILE AAA HD13 c 1 ATOM 1271 H HG23 . ILE AAA 1 78 HG23 . ILE 78 -2.318 9.086 28.724 1.000 15.052 . 78 ILE AAA HG23 c 1 ATOM 1272 C C . ILE AAA 1 78 C . ILE 78 1.779 8.276 28.732 1.000 15.278 . 78 ILE AAA C . 1 ATOM 1273 O O . ILE AAA 1 78 O . ILE 78 2.545 9.185 29.085 1.000 13.863 . 78 ILE AAA O . 1 ATOM 1274 N N . PRO AAA 1 79 N . PRO 79 2.258 7.223 28.041 1.000 14.737 . 79 PRO AAA N . 1 ATOM 1275 C CA . PRO AAA 1 79 CA . PRO 79 3.649 7.219 27.599 1.000 14.012 . 79 PRO AAA CA . 1 ATOM 1276 H HA . PRO AAA 1 79 HA . PRO 79 4.259 7.482 28.332 1.000 14.221 . 79 PRO AAA HA c 1 ATOM 1277 C CB . PRO AAA 1 79 CB . PRO 79 3.900 5.783 27.153 1.000 14.093 . 79 PRO AAA CB . 1 ATOM 1278 H HB3 . PRO AAA 1 79 HB3 . PRO 79 4.200 5.223 27.899 1.000 14.115 . 79 PRO AAA HB3 c 1 ATOM 1279 H HB2 . PRO AAA 1 79 HB2 . PRO 79 4.562 5.743 26.430 1.000 14.112 . 79 PRO AAA HB2 c 1 ATOM 1280 C CG . PRO AAA 1 79 CG . PRO 79 2.536 5.365 26.669 1.000 14.253 . 79 PRO AAA CG . 1 ATOM 1281 H HG3 . PRO AAA 1 79 HG3 . PRO 79 2.456 4.390 26.641 1.000 13.986 . 79 PRO AAA HG3 c 1 ATOM 1282 H HG2 . PRO AAA 1 79 HG2 . PRO 79 2.349 5.729 25.780 1.000 13.987 . 79 PRO AAA HG2 c 1 ATOM 1283 C CD . PRO AAA 1 79 CD . PRO 79 1.600 5.960 27.713 1.000 13.300 . 79 PRO AAA CD . 1 ATOM 1284 H HD3 . PRO AAA 1 79 HD3 . PRO 79 1.530 5.384 28.497 1.000 13.850 . 79 PRO AAA HD3 c 1 ATOM 1285 H HD2 . PRO AAA 1 79 HD2 . PRO 79 0.709 6.110 27.345 1.000 13.854 . 79 PRO AAA HD2 c 1 ATOM 1286 C C . PRO AAA 1 79 C . PRO 79 3.672 8.218 26.438 1.000 14.338 . 79 PRO AAA C . 1 ATOM 1287 O O . PRO AAA 1 79 O . PRO 79 2.721 8.337 25.661 1.000 13.775 . 79 PRO AAA O . 1 ATOM 1289 N N . CYS AAA 1 80 N . CYS 80 4.752 8.982 26.349 1.000 13.215 . 80 CYS AAA N . 1 ATOM 1290 H H . CYS AAA 1 80 H . CYS 80 5.477 8.937 26.899 1.000 13.400 . 80 CYS AAA H c 1 ATOM 1291 C CA . CYS AAA 1 80 CA . CYS 80 4.860 10.008 25.302 1.000 12.929 . 80 CYS AAA CA . 1 ATOM 1292 H HA . CYS AAA 1 80 HA . CYS 80 4.108 10.632 25.423 1.000 12.935 . 80 CYS AAA HA c 1 ATOM 1293 C CB . CYS AAA 1 80 CB . CYS 80 6.150 10.801 25.421 1.000 12.066 . 80 CYS AAA CB . 1 ATOM 1294 H HB3 . CYS AAA 1 80 HB3 . CYS 80 6.199 11.428 24.674 1.000 12.133 . 80 CYS AAA HB3 c 1 ATOM 1295 H HB2 . CYS AAA 1 80 HB2 . CYS 80 6.905 10.183 25.338 1.000 12.138 . 80 CYS AAA HB2 c 1 ATOM 1296 S SG . CYS AAA 1 80 SG . CYS 80 6.357 11.739 26.959 1.000 11.555 . 80 CYS AAA SG . 1 ATOM 1297 C C . CYS AAA 1 80 C . CYS 80 4.723 9.369 23.917 1.000 13.584 . 80 CYS AAA C . 1 ATOM 1298 O O . CYS AAA 1 80 O . CYS 80 4.238 10.028 22.970 1.000 13.172 . 80 CYS AAA O . 1 ATOM 1300 N N . SER AAA 1 81 N . SER 81 5.149 8.137 23.768 1.000 13.291 . 81 SER AAA N . 1 ATOM 1301 H H . SER AAA 1 81 H . SER 81 5.552 7.641 24.416 1.000 13.389 . 81 SER AAA H c 1 ATOM 1302 C CA . SER AAA 1 81 CA . SER 81 5.034 7.429 22.465 1.000 13.401 . 81 SER AAA CA . 1 ATOM 1303 H HA . SER AAA 1 81 HA . SER 81 5.553 7.942 21.788 1.000 13.470 . 81 SER AAA HA c 1 ATOM 1304 C CB . SER AAA 1 81 CB . SER 81 5.624 6.047 22.573 1.000 13.965 . 81 SER AAA CB . 1 ATOM 1305 H HB3 . SER AAA 1 81 HB3 . SER 81 6.584 6.122 22.777 1.000 13.864 . 81 SER AAA HB3 c 1 ATOM 1306 H HB2 . SER AAA 1 81 HB2 . SER 81 5.535 5.592 21.707 1.000 13.864 . 81 SER AAA HB2 c 1 ATOM 1307 O OG . SER AAA 1 81 OG . SER 81 4.996 5.268 23.575 1.000 14.110 . 81 SER AAA OG . 1 ATOM 1308 H HG . SER AAA 1 81 HG . SER 81 5.370 4.507 23.591 0.000 14.030 . 81 SER AAA HG c 1 ATOM 1309 C C . SER AAA 1 81 C . SER 81 3.565 7.369 22.005 1.000 13.322 . 81 SER AAA C . 1 ATOM 1310 O O . SER AAA 1 81 O . SER 81 3.334 7.264 20.811 1.000 13.589 . 81 SER AAA O . 1 ATOM 1312 N N . ALA AAA 1 82 N . ALA 82 2.599 7.334 22.899 1.000 13.779 . 82 ALA AAA N . 1 ATOM 1313 H H . ALA AAA 1 82 H . ALA 82 2.742 7.331 23.799 1.000 13.712 . 82 ALA AAA H c 1 ATOM 1314 C CA . ALA AAA 1 82 CA . ALA 82 1.164 7.274 22.550 1.000 13.953 . 82 ALA AAA CA . 1 ATOM 1315 H HA . ALA AAA 1 82 HA . ALA 82 1.009 6.502 21.958 1.000 13.963 . 82 ALA AAA HA c 1 ATOM 1316 C CB . ALA AAA 1 82 CB . ALA 82 0.334 7.116 23.811 1.000 14.723 . 82 ALA AAA CB . 1 ATOM 1317 H HB3 . ALA AAA 1 82 HB3 . ALA 82 0.467 7.886 24.388 1.000 14.484 . 82 ALA AAA HB3 c 1 ATOM 1318 H HB2 . ALA AAA 1 82 HB2 . ALA 82 0.605 6.309 24.281 1.000 14.485 . 82 ALA AAA HB2 c 1 ATOM 1319 H HB1 . ALA AAA 1 82 HB1 . ALA 82 -0.607 7.050 23.575 1.000 14.500 . 82 ALA AAA HB1 c 1 ATOM 1320 C C . ALA AAA 1 82 C . ALA 82 0.785 8.564 21.803 1.000 13.443 . 82 ALA AAA C . 1 ATOM 1321 O O . ALA AAA 1 82 O . ALA 82 -0.247 8.605 21.147 1.000 14.487 . 82 ALA AAA O . 1 ATOM 1323 N N . LEU AAA 1 83 N . LEU 83 1.586 9.597 21.937 1.000 13.584 . 83 LEU AAA N . 1 ATOM 1324 H H . LEU AAA 1 83 H . LEU 83 2.321 9.582 22.470 1.000 13.477 . 83 LEU AAA H c 1 ATOM 1325 C CA . LEU AAA 1 83 CA . LEU 83 1.365 10.895 21.292 1.000 13.267 . 83 LEU AAA CA . 1 ATOM 1326 H HA . LEU AAA 1 83 HA . LEU 83 0.395 11.049 21.232 1.000 13.595 . 83 LEU AAA HA c 1 ATOM 1327 C CB . LEU AAA 1 83 CB . LEU 83 1.998 12.002 22.138 1.000 13.413 . 83 LEU AAA CB . 1 ATOM 1328 H HB3 . LEU AAA 1 83 HB3 . LEU 83 1.901 12.848 21.658 1.000 13.488 . 83 LEU AAA HB3 c 1 ATOM 1329 H HB2 . LEU AAA 1 83 HB2 . LEU 83 2.955 11.822 22.221 1.000 13.491 . 83 LEU AAA HB2 c 1 ATOM 1330 C CG . LEU AAA 1 83 CG . LEU 83 1.409 12.173 23.538 1.000 13.875 . 83 LEU AAA CG . 1 ATOM 1331 H HG . LEU AAA 1 83 HG . LEU 83 1.455 11.303 24.006 1.000 14.414 . 83 LEU AAA HG c 1 ATOM 1332 C CD1 . LEU AAA 1 83 CD1 . LEU 83 2.240 13.176 24.310 1.000 15.469 . 83 LEU AAA CD1 . 1 ATOM 1333 H HD11 . LEU AAA 1 83 HD11 . LEU 83 3.154 12.853 24.379 1.000 14.950 . 83 LEU AAA HD11 c 1 ATOM 1334 H HD12 . LEU AAA 1 83 HD12 . LEU 83 1.867 13.291 25.201 1.000 14.956 . 83 LEU AAA HD12 c 1 ATOM 1335 H HD13 . LEU AAA 1 83 HD13 . LEU 83 2.233 14.028 23.843 1.000 14.950 . 83 LEU AAA HD13 c 1 ATOM 1336 C CD2 . LEU AAA 1 83 CD2 . LEU 83 -0.069 12.598 23.444 1.000 15.709 . 83 LEU AAA CD2 . 1 ATOM 1337 H HD21 . LEU AAA 1 83 HD21 . LEU 83 -0.145 13.374 22.863 1.000 15.113 . 83 LEU AAA HD21 c 1 ATOM 1338 H HD22 . LEU AAA 1 83 HD22 . LEU 83 -0.399 12.825 24.330 1.000 15.122 . 83 LEU AAA HD22 c 1 ATOM 1339 H HD23 . LEU AAA 1 83 HD23 . LEU 83 -0.597 11.866 23.080 1.000 15.112 . 83 LEU AAA HD23 c 1 ATOM 1340 C C . LEU AAA 1 83 C . LEU 83 1.932 10.869 19.885 1.000 14.522 . 83 LEU AAA C . 1 ATOM 1341 O O . LEU AAA 1 83 O . LEU 83 1.792 11.892 19.183 1.000 14.162 . 83 LEU AAA O . 1 ATOM 1343 N N . LEU AAA 1 84 N . LEU 84 2.538 9.773 19.454 1.000 14.554 . 84 LEU AAA N . 1 ATOM 1344 H H . LEU AAA 1 84 H . LEU 84 2.637 9.024 19.957 1.000 14.326 . 84 LEU AAA H c 1 ATOM 1345 C CA . LEU AAA 1 84 CA . LEU 84 3.147 9.679 18.108 1.000 13.674 . 84 LEU AAA CA . 1 ATOM 1346 H HA . LEU AAA 1 84 HA . LEU 84 3.171 10.578 17.718 1.000 13.942 . 84 LEU AAA HA c 1 ATOM 1347 C CB . LEU AAA 1 84 CB . LEU 84 4.576 9.163 18.274 1.000 13.963 . 84 LEU AAA CB . 1 ATOM 1348 H HB3 . LEU AAA 1 84 HB3 . LEU 84 4.976 9.100 17.384 1.000 13.751 . 84 LEU AAA HB3 c 1 ATOM 1349 H HB2 . LEU AAA 1 84 HB2 . LEU 84 4.526 8.254 18.631 1.000 13.751 . 84 LEU AAA HB2 c 1 ATOM 1350 C CG . LEU AAA 1 84 CG . LEU 84 5.524 9.961 19.155 1.000 13.361 . 84 LEU AAA CG . 1 ATOM 1351 H HG . LEU AAA 1 84 HG . LEU 84 5.151 10.010 20.070 1.000 13.645 . 84 LEU AAA HG c 1 ATOM 1352 C CD1 . LEU AAA 1 84 CD1 . LEU 84 6.885 9.238 19.207 1.000 14.338 . 84 LEU AAA CD1 . 1 ATOM 1353 H HD11 . LEU AAA 1 84 HD11 . LEU 84 6.765 8.345 19.576 1.000 13.761 . 84 LEU AAA HD11 c 1 ATOM 1354 H HD12 . LEU AAA 1 84 HD12 . LEU 84 7.499 9.741 19.770 1.000 13.966 . 84 LEU AAA HD12 c 1 ATOM 1355 H HD13 . LEU AAA 1 84 HD13 . LEU 84 7.251 9.170 18.308 1.000 13.966 . 84 LEU AAA HD13 c 1 ATOM 1356 C CD2 . LEU AAA 1 84 CD2 . LEU 84 5.701 11.380 18.612 1.000 13.294 . 84 LEU AAA CD2 . 1 ATOM 1357 H HD21 . LEU AAA 1 84 HD21 . LEU 84 6.014 11.338 17.691 1.000 13.311 . 84 LEU AAA HD21 c 1 ATOM 1358 H HD22 . LEU AAA 1 84 HD22 . LEU 84 6.354 11.856 19.154 1.000 13.304 . 84 LEU AAA HD22 c 1 ATOM 1359 H HD23 . LEU AAA 1 84 HD23 . LEU 84 4.851 11.850 18.644 1.000 13.310 . 84 LEU AAA HD23 c 1 ATOM 1360 C C . LEU AAA 1 84 C . LEU 84 2.321 8.786 17.199 1.000 13.955 . 84 LEU AAA C . 1 ATOM 1361 O O . LEU AAA 1 84 O . LEU 84 2.666 8.649 16.012 1.000 14.216 . 84 LEU AAA O . 1 ATOM 1363 N N . SER AAA 1 85 N . SER 85 1.255 8.195 17.728 1.000 13.945 . 85 SER AAA N . 1 ATOM 1364 H H . SER AAA 1 85 H . SER 85 0.991 8.313 18.590 1.000 13.967 . 85 SER AAA H c 1 ATOM 1365 C CA . SER AAA 1 85 CA . SER 85 0.358 7.276 16.984 1.000 14.033 . 85 SER AAA CA . 1 ATOM 1366 H HA . SER AAA 1 85 HA . SER 85 0.900 6.497 16.686 1.000 13.982 . 85 SER AAA HA c 1 ATOM 1367 C CB A SER AAA 1 85 CB . SER 85 -0.731 6.775 17.901 0.500 13.191 . 85 SER AAA CB . 1 ATOM 1368 H HB3 . SER AAA 1 85 HB3 . SER 85 -1.206 7.542 18.293 0.500 13.552 . 85 SER AAA HB3 c 1 ATOM 1369 H HB2 . SER AAA 1 85 HB2 . SER 85 -0.327 6.257 18.634 0.500 13.551 . 85 SER AAA HB2 c 1 ATOM 1370 O OG A SER AAA 1 85 OG . SER 85 -1.658 5.954 17.197 0.500 13.905 . 85 SER AAA OG . 1 ATOM 1371 H HG . SER AAA 1 85 HG . SER 85 -2.251 5.692 17.750 0.000 13.850 . 85 SER AAA HG c 1 ATOM 1372 C C . SER AAA 1 85 C . SER 85 -0.274 7.916 15.746 1.000 14.739 . 85 SER AAA C . 1 ATOM 1373 O O . SER AAA 1 85 O . SER 85 -0.285 9.153 15.594 1.000 13.867 . 85 SER AAA O . 1 ATOM 1375 N N . SER AAA 1 86 N . SER 86 -0.783 7.081 14.869 1.000 14.207 . 86 SER AAA N . 1 ATOM 1376 H H . SER AAA 1 86 H . SER 86 -0.729 6.173 14.931 1.000 14.207 . 86 SER AAA H c 1 ATOM 1377 C CA . SER AAA 1 86 CA . SER 86 -1.511 7.542 13.659 1.000 13.698 . 86 SER AAA CA . 1 ATOM 1378 H HA . SER AAA 1 86 HA . SER 86 -1.028 8.322 13.274 1.000 13.968 . 86 SER AAA HA c 1 ATOM 1379 C CB A SER AAA 1 86 CB . SER 86 -1.578 6.430 12.610 0.500 14.011 . 86 SER AAA CB . 1 ATOM 1380 H HB3 . SER AAA 1 86 HB3 . SER 86 -0.664 6.173 12.351 0.500 13.571 . 86 SER AAA HB3 c 1 ATOM 1381 H HB2 . SER AAA 1 86 HB2 . SER 86 -2.037 6.769 11.808 0.500 13.586 . 86 SER AAA HB2 c 1 ATOM 1382 O OG A SER AAA 1 86 OG . SER 86 -2.264 5.296 13.094 0.500 12.498 . 86 SER AAA OG . 1 ATOM 1383 H HG . SER AAA 1 86 HG . SER 86 -2.275 4.706 12.482 0.000 12.490 . 86 SER AAA HG c 1 ATOM 1384 C C . SER AAA 1 86 C . SER 86 -2.892 7.996 14.116 1.000 14.300 . 86 SER AAA C . 1 ATOM 1385 O O . SER AAA 1 86 O . SER 86 -3.539 8.798 13.435 1.000 14.654 . 86 SER AAA O . 1 ATOM 1387 N N . ASP AAA 1 87 N . ASP 87 -3.324 7.471 15.256 1.000 13.906 . 87 ASP AAA N . 1 ATOM 1388 H H . ASP AAA 1 87 H . ASP 87 -2.843 6.857 15.724 1.000 14.194 . 87 ASP AAA H c 1 ATOM 1389 C CA . ASP AAA 1 87 CA . ASP 87 -4.625 7.780 15.884 1.000 14.754 . 87 ASP AAA CA . 1 ATOM 1390 H HA . ASP AAA 1 87 HA . ASP 87 -5.280 8.020 15.187 1.000 14.412 . 87 ASP AAA HA c 1 ATOM 1391 C CB . ASP AAA 1 87 CB . ASP 87 -5.132 6.585 16.689 1.000 14.266 . 87 ASP AAA CB . 1 ATOM 1392 H HB3 . ASP AAA 1 87 HB3 . ASP 87 -4.507 6.400 17.419 1.000 14.677 . 87 ASP AAA HB3 c 1 ATOM 1393 H HB2 . ASP AAA 1 87 HB2 . ASP 87 -5.160 5.800 16.105 1.000 14.706 . 87 ASP AAA HB2 c 1 ATOM 1394 C CG . ASP AAA 1 87 CG . ASP 87 -6.518 6.783 17.283 1.000 15.533 . 87 ASP AAA CG . 1 ATOM 1395 O OD1 . ASP AAA 1 87 OD1 . ASP 87 -6.828 7.884 17.730 1.000 17.202 . 87 ASP AAA OD1 . 1 ATOM 1396 O OD2 . ASP AAA 1 87 OD2 . ASP 87 -7.290 5.840 17.253 1.000 18.219 . 87 ASP AAA OD2 . 1 ATOM 1397 C C . ASP AAA 1 87 C . ASP 87 -4.390 8.975 16.814 1.000 14.317 . 87 ASP AAA C . 1 ATOM 1398 O O . ASP AAA 1 87 O . ASP 87 -3.643 8.800 17.788 1.000 14.972 . 87 ASP AAA O . 1 ATOM 1400 N N . ILE AAA 1 88 N . ILE 88 -4.956 10.141 16.542 1.000 14.078 . 88 ILE AAA N . 1 ATOM 1401 H H . ILE AAA 1 88 H . ILE 88 -5.531 10.277 15.850 1.000 13.917 . 88 ILE AAA H c 1 ATOM 1402 C CA . ILE AAA 1 88 CA . ILE 88 -4.690 11.340 17.394 1.000 13.188 . 88 ILE AAA CA . 1 ATOM 1403 H HA . ILE AAA 1 88 HA . ILE 88 -3.754 11.302 17.653 1.000 13.432 . 88 ILE AAA HA c 1 ATOM 1404 C CB . ILE AAA 1 88 CB . ILE 88 -4.876 12.638 16.599 1.000 13.608 . 88 ILE AAA CB . 1 ATOM 1405 H HB . ILE AAA 1 88 HB . ILE 88 -4.561 13.386 17.165 1.000 13.567 . 88 ILE AAA HB c 1 ATOM 1406 C CG1 . ILE AAA 1 88 CG1 . ILE 88 -6.351 12.875 16.299 1.000 13.580 . 88 ILE AAA CG1 . 1 ATOM 1407 H HG12 . ILE AAA 1 88 HG12 . ILE 88 -6.876 12.703 17.108 1.000 13.638 . 88 ILE AAA HG12 c 1 ATOM 1408 H HG13 . ILE AAA 1 88 HG13 . ILE 88 -6.640 12.240 15.611 1.000 13.656 . 88 ILE AAA HG13 c 1 ATOM 1409 C CG2 . ILE AAA 1 88 CG2 . ILE 88 -4.054 12.638 15.337 1.000 13.854 . 88 ILE AAA CG2 . 1 ATOM 1410 H HG21 . ILE AAA 1 88 HG21 . ILE 88 -3.125 12.442 15.553 1.000 13.779 . 88 ILE AAA HG21 c 1 ATOM 1411 H HG22 . ILE AAA 1 88 HG22 . ILE 88 -4.107 13.511 14.911 1.000 13.779 . 88 ILE AAA HG22 c 1 ATOM 1412 C CD1 . ILE AAA 1 88 CD1 . ILE 88 -6.647 14.273 15.820 1.000 13.791 . 88 ILE AAA CD1 . 1 ATOM 1413 H HD11 . ILE AAA 1 88 HD11 . ILE 88 -6.336 14.916 16.481 1.000 13.726 . 88 ILE AAA HD11 c 1 ATOM 1414 H HD12 . ILE AAA 1 88 HD12 . ILE 88 -7.607 14.378 15.695 1.000 13.726 . 88 ILE AAA HD12 c 1 ATOM 1415 H HD13 . ILE AAA 1 88 HD13 . ILE 88 -6.193 14.433 14.975 1.000 13.727 . 88 ILE AAA HD13 c 1 ATOM 1416 H HG23 . ILE AAA 1 88 HG23 . ILE 88 -4.392 11.960 14.725 1.000 13.779 . 88 ILE AAA HG23 c 1 ATOM 1417 C C . ILE AAA 1 88 C . ILE 88 -5.509 11.410 18.690 1.000 13.181 . 88 ILE AAA C . 1 ATOM 1418 O O . ILE AAA 1 88 O . ILE 88 -5.402 12.414 19.410 1.000 12.952 . 88 ILE AAA O . 1 ATOM 1420 N N . THR AAA 1 89 N . THR 89 -6.266 10.380 19.047 1.000 13.079 . 89 THR AAA N . 1 ATOM 1421 H H . THR AAA 1 89 H . THR 89 -6.324 9.592 18.597 1.000 13.076 . 89 THR AAA H c 1 ATOM 1422 C CA . THR AAA 1 89 CA . THR 89 -7.127 10.438 20.262 1.000 12.939 . 89 THR AAA CA . 1 ATOM 1423 H HA . THR AAA 1 89 HA . THR 89 -7.833 11.104 20.091 1.000 13.033 . 89 THR AAA HA c 1 ATOM 1424 C CB . THR AAA 1 89 CB . THR 89 -7.804 9.094 20.546 1.000 13.443 . 89 THR AAA CB . 1 ATOM 1425 H HB . THR AAA 1 89 HB . THR 89 -7.096 8.412 20.629 1.000 13.384 . 89 THR AAA HB c 1 ATOM 1426 O OG1 . THR AAA 1 89 OG1 . THR 89 -8.695 8.694 19.494 1.000 13.665 . 89 THR AAA OG1 . 1 ATOM 1427 H HG1 . THR AAA 1 89 HG1 . THR 89 -9.050 7.947 19.687 0.000 13.770 . 89 THR AAA HG1 c 1 ATOM 1428 C CG2 . THR AAA 1 89 CG2 . THR 89 -8.553 9.162 21.855 1.000 13.426 . 89 THR AAA CG2 . 1 ATOM 1429 H HG21 . THR AAA 1 89 HG21 . THR 89 -7.922 9.249 22.592 1.000 13.430 . 89 THR AAA HG21 c 1 ATOM 1430 H HG22 . THR AAA 1 89 HG22 . THR 89 -9.074 8.347 21.973 1.000 13.431 . 89 THR AAA HG22 c 1 ATOM 1431 H HG23 . THR AAA 1 89 HG23 . THR 89 -9.152 9.931 21.849 1.000 13.431 . 89 THR AAA HG23 c 1 ATOM 1432 C C . THR AAA 1 89 C . THR 89 -6.318 10.907 21.493 1.000 12.795 . 89 THR AAA C . 1 ATOM 1433 O O . THR AAA 1 89 O . THR 89 -6.737 11.844 22.189 1.000 13.147 . 89 THR AAA O . 1 ATOM 1435 N N . ALA AAA 1 90 N . ALA 90 -5.167 10.296 21.741 1.000 12.870 . 90 ALA AAA N . 1 ATOM 1436 H H . ALA AAA 1 90 H . ALA 90 -4.805 9.655 21.204 1.000 12.757 . 90 ALA AAA H c 1 ATOM 1437 C CA . ALA AAA 1 90 CA . ALA 90 -4.333 10.591 22.933 1.000 12.469 . 90 ALA AAA CA . 1 ATOM 1438 H HA . ALA AAA 1 90 HA . ALA 90 -4.880 10.460 23.743 1.000 12.549 . 90 ALA AAA HA c 1 ATOM 1439 C CB . ALA AAA 1 90 CB . ALA 90 -3.134 9.643 22.981 1.000 12.385 . 90 ALA AAA CB . 1 ATOM 1440 H HB3 . ALA AAA 1 90 HB3 . ALA 90 -2.588 9.767 22.188 1.000 12.411 . 90 ALA AAA HB3 c 1 ATOM 1441 H HB2 . ALA AAA 1 90 HB2 . ALA 90 -3.448 8.723 23.016 1.000 12.411 . 90 ALA AAA HB2 c 1 ATOM 1442 H HB1 . ALA AAA 1 90 HB1 . ALA 90 -2.601 9.832 23.772 1.000 12.411 . 90 ALA AAA HB1 c 1 ATOM 1443 C C . ALA AAA 1 90 C . ALA 90 -3.882 12.048 22.878 1.000 12.571 . 90 ALA AAA C . 1 ATOM 1444 O O . ALA AAA 1 90 O . ALA 90 -3.887 12.712 23.895 1.000 13.114 . 90 ALA AAA O . 1 ATOM 1446 N N . SER AAA 1 91 N . SER 91 -3.386 12.492 21.724 1.000 12.782 . 91 SER AAA N . 1 ATOM 1447 H H . SER AAA 1 91 H . SER 91 -3.316 11.998 20.962 1.000 12.774 . 91 SER AAA H c 1 ATOM 1448 C CA . SER AAA 1 91 CA . SER 91 -2.877 13.875 21.583 1.000 12.951 . 91 SER AAA CA . 1 ATOM 1449 H HA . SER AAA 1 91 HA . SER 91 -2.182 14.017 22.277 1.000 12.849 . 91 SER AAA HA c 1 ATOM 1450 C CB . SER AAA 1 91 CB . SER 91 -2.240 14.085 20.216 1.000 13.113 . 91 SER AAA CB . 1 ATOM 1451 H HB3 . SER AAA 1 91 HB3 . SER 91 -2.197 15.050 20.031 1.000 13.252 . 91 SER AAA HB3 c 1 ATOM 1452 H HB2 . SER AAA 1 91 HB2 . SER 91 -2.815 13.677 19.530 1.000 13.252 . 91 SER AAA HB2 c 1 ATOM 1453 O OG . SER AAA 1 91 OG . SER 91 -0.945 13.544 20.106 1.000 13.892 . 91 SER AAA OG . 1 ATOM 1454 H HG . SER AAA 1 91 HG . SER 91 -0.652 13.694 19.325 0.000 13.870 . 91 SER AAA HG c 1 ATOM 1455 C C . SER AAA 1 91 C . SER 91 -4.004 14.864 21.839 1.000 12.385 . 91 SER AAA C . 1 ATOM 1456 O O . SER AAA 1 91 O . SER 91 -3.811 15.846 22.540 1.000 12.763 . 91 SER AAA O . 1 ATOM 1458 N N . VAL AAA 1 92 N . VAL 92 -5.204 14.562 21.316 1.000 12.788 . 92 VAL AAA N . 1 ATOM 1459 H H . VAL AAA 1 92 H . VAL 92 -5.375 13.829 20.802 1.000 12.645 . 92 VAL AAA H c 1 ATOM 1460 C CA . VAL AAA 1 92 CA . VAL 92 -6.357 15.456 21.553 1.000 12.593 . 92 VAL AAA CA . 1 ATOM 1461 H HA . VAL AAA 1 92 HA . VAL 92 -6.086 16.357 21.300 1.000 12.428 . 92 VAL AAA HA c 1 ATOM 1462 C CB . VAL AAA 1 92 CB . VAL 92 -7.556 15.062 20.665 1.000 12.246 . 92 VAL AAA CB . 1 ATOM 1463 H HB . VAL AAA 1 92 HB . VAL 92 -7.700 14.089 20.768 1.000 12.618 . 92 VAL AAA HB c 1 ATOM 1464 C CG1 . VAL AAA 1 92 CG1 . VAL 92 -8.827 15.784 21.147 1.000 13.193 . 92 VAL AAA CG1 . 1 ATOM 1465 H HG11 . VAL AAA 1 92 HG11 . VAL 92 -9.162 15.352 21.954 1.000 12.895 . 92 VAL AAA HG11 c 1 ATOM 1466 H HG12 . VAL AAA 1 92 HG12 . VAL 92 -9.508 15.742 20.451 1.000 12.905 . 92 VAL AAA HG12 c 1 ATOM 1467 H HG13 . VAL AAA 1 92 HG13 . VAL 92 -8.618 16.715 21.340 1.000 12.899 . 92 VAL AAA HG13 c 1 ATOM 1468 C CG2 . VAL AAA 1 92 CG2 . VAL 92 -7.283 15.339 19.216 1.000 12.934 . 92 VAL AAA CG2 . 1 ATOM 1469 H HG21 . VAL AAA 1 92 HG21 . VAL 92 -7.110 16.289 19.094 1.000 12.718 . 92 VAL AAA HG21 c 1 ATOM 1470 H HG22 . VAL AAA 1 92 HG22 . VAL 92 -8.055 15.080 18.684 1.000 12.718 . 92 VAL AAA HG22 c 1 ATOM 1471 H HG23 . VAL AAA 1 92 HG23 . VAL 92 -6.506 14.829 18.928 1.000 12.719 . 92 VAL AAA HG23 c 1 ATOM 1472 C C . VAL AAA 1 92 C . VAL 92 -6.766 15.492 23.010 1.000 11.888 . 92 VAL AAA C . 1 ATOM 1473 O O . VAL AAA 1 92 O . VAL 92 -7.002 16.593 23.535 1.000 13.257 . 92 VAL AAA O . 1 ATOM 1475 N N . ASN AAA 1 93 N . ASN 93 -6.918 14.332 23.657 1.000 12.676 . 93 ASN AAA N . 1 ATOM 1476 H H . ASN AAA 1 93 H . ASN 93 -6.753 13.518 23.282 1.000 12.565 . 93 ASN AAA H c 1 ATOM 1477 C CA . ASN AAA 1 93 CA . ASN 93 -7.372 14.296 25.058 1.000 12.971 . 93 ASN AAA CA . 1 ATOM 1478 H HA . ASN AAA 1 93 HA . ASN 93 -8.224 14.788 25.120 1.000 13.114 . 93 ASN AAA HA c 1 ATOM 1479 C CB . ASN AAA 1 93 CB . ASN 93 -7.622 12.861 25.538 1.000 14.765 . 93 ASN AAA CB . 1 ATOM 1480 H HB3 . ASN AAA 1 93 HB3 . ASN 93 -7.792 12.877 26.502 1.000 14.558 . 93 ASN AAA HB3 c 1 ATOM 1481 H HB2 . ASN AAA 1 93 HB2 . ASN 93 -6.812 12.333 25.384 1.000 14.562 . 93 ASN AAA HB2 c 1 ATOM 1482 C CG . ASN AAA 1 93 CG . ASN 93 -8.779 12.189 24.850 1.000 15.854 . 93 ASN AAA CG . 1 ATOM 1483 O OD1 . ASN AAA 1 93 OD1 . ASN 93 -9.575 12.895 24.221 1.000 19.487 . 93 ASN AAA OD1 . 1 ATOM 1484 N ND2 . ASN AAA 1 93 ND2 . ASN 93 -8.837 10.862 24.919 1.000 16.001 . 93 ASN AAA ND2 . 1 ATOM 1485 H HD21 . ASN AAA 1 93 HD21 . ASN 93 -9.501 10.426 24.527 0.000 15.990 . 93 ASN AAA HD21 c 1 ATOM 1486 H HD22 . ASN AAA 1 93 HD22 . ASN 93 -8.216 10.413 25.359 0.000 15.990 . 93 ASN AAA HD22 c 1 ATOM 1487 C C . ASN AAA 1 93 C . ASN 93 -6.350 14.986 25.957 1.000 12.297 . 93 ASN AAA C . 1 ATOM 1488 O O . ASN AAA 1 93 O . ASN 93 -6.745 15.667 26.924 1.000 12.929 . 93 ASN AAA O . 1 ATOM 1490 N N . CYS AAA 1 94 N . CYS 94 -5.061 14.899 25.614 1.000 12.333 . 94 CYS AAA N . 1 ATOM 1491 H H . CYS AAA 1 94 H . CYS 94 -4.728 14.446 24.896 1.000 12.238 . 94 CYS AAA H c 1 ATOM 1492 C CA . CYS AAA 1 94 CA . CYS 94 -4.043 15.562 26.426 1.000 11.962 . 94 CYS AAA CA . 1 ATOM 1493 H HA . CYS AAA 1 94 HA . CYS 94 -4.262 15.416 27.374 1.000 12.274 . 94 CYS AAA HA c 1 ATOM 1494 C CB . CYS AAA 1 94 CB . CYS 94 -2.681 14.952 26.141 1.000 12.766 . 94 CYS AAA CB . 1 ATOM 1495 H HB3 . CYS AAA 1 94 HB3 . CYS 94 -2.421 15.173 25.225 1.000 12.502 . 94 CYS AAA HB3 c 1 ATOM 1496 H HB2 . CYS AAA 1 94 HB2 . CYS 94 -2.752 13.978 26.204 1.000 12.501 . 94 CYS AAA HB2 c 1 ATOM 1497 S SG . CYS AAA 1 94 SG . CYS 94 -1.353 15.502 27.267 1.000 12.461 . 94 CYS AAA SG . 1 ATOM 1498 C C . CYS AAA 1 94 C . CYS 94 -4.071 17.047 26.140 1.000 12.423 . 94 CYS AAA C . 1 ATOM 1499 O O . CYS AAA 1 94 O . CYS 94 -3.944 17.837 27.069 1.000 12.518 . 94 CYS AAA O . 1 ATOM 1501 N N . ALA AAA 1 95 N . ALA 95 -4.214 17.421 24.891 1.000 13.534 . 95 ALA AAA N . 1 ATOM 1502 H H . ALA AAA 1 95 H . ALA 95 -4.294 16.854 24.182 1.000 13.066 . 95 ALA AAA H c 1 ATOM 1503 C CA . ALA AAA 1 95 CA . ALA 95 -4.245 18.841 24.513 1.000 12.702 . 95 ALA AAA CA . 1 ATOM 1504 H HA . ALA AAA 1 95 HA . ALA 95 -3.397 19.258 24.795 1.000 12.872 . 95 ALA AAA HA c 1 ATOM 1505 C CB . ALA AAA 1 95 CB . ALA 95 -4.390 18.999 23.042 1.000 13.196 . 95 ALA AAA CB . 1 ATOM 1506 H HB3 . ALA AAA 1 95 HB3 . ALA 95 -5.218 18.582 22.750 1.000 13.042 . 95 ALA AAA HB3 c 1 ATOM 1507 H HB2 . ALA AAA 1 95 HB2 . ALA 95 -3.640 18.575 22.594 1.000 13.042 . 95 ALA AAA HB2 c 1 ATOM 1508 H HB1 . ALA AAA 1 95 HB1 . ALA 95 -4.409 19.945 22.817 1.000 13.042 . 95 ALA AAA HB1 c 1 ATOM 1509 C C . ALA AAA 1 95 C . ALA 95 -5.396 19.535 25.252 1.000 12.304 . 95 ALA AAA C . 1 ATOM 1510 O O . ALA AAA 1 95 O . ALA 95 -5.261 20.724 25.625 1.000 11.931 . 95 ALA AAA O . 1 ATOM 1512 N N . LYS AAA 1 96 N . LYS 96 -6.515 18.851 25.427 1.000 12.497 . 96 LYS AAA N . 1 ATOM 1513 H H . LYS AAA 1 96 H . LYS 96 -6.631 18.001 25.122 1.000 12.506 . 96 LYS AAA H c 1 ATOM 1514 C CA . LYS AAA 1 96 CA . LYS 96 -7.681 19.408 26.114 1.000 12.716 . 96 LYS AAA CA . 1 ATOM 1515 H HA . LYS AAA 1 96 HA . LYS 96 -7.948 20.230 25.642 1.000 12.614 . 96 LYS AAA HA c 1 ATOM 1516 C CB . LYS AAA 1 96 CB . LYS 96 -8.853 18.437 26.093 1.000 12.786 . 96 LYS AAA CB . 1 ATOM 1517 H HB3 . LYS AAA 1 96 HB3 . LYS 96 -9.516 18.733 26.750 1.000 12.641 . 96 LYS AAA HB3 c 1 ATOM 1518 H HB2 . LYS AAA 1 96 HB2 . LYS 96 -8.532 17.553 26.369 1.000 12.642 . 96 LYS AAA HB2 c 1 ATOM 1519 C CG . LYS AAA 1 96 CG . LYS 96 -9.525 18.309 24.753 1.000 12.251 . 96 LYS AAA CG . 1 ATOM 1520 H HG3 . LYS AAA 1 96 HG3 . LYS 96 -8.873 17.990 24.096 1.000 12.485 . 96 LYS AAA HG3 c 1 ATOM 1521 H HG2 . LYS AAA 1 96 HG2 . LYS 96 -9.834 19.195 24.467 1.000 12.483 . 96 LYS AAA HG2 c 1 ATOM 1522 C CD . LYS AAA 1 96 CD . LYS 96 -10.694 17.368 24.787 1.000 12.714 . 96 LYS AAA CD . 1 ATOM 1523 H HD3 . LYS AAA 1 96 HD3 . LYS 96 -11.331 17.682 25.464 1.000 12.635 . 96 LYS AAA HD3 c 1 ATOM 1524 H HD2 . LYS AAA 1 96 HD2 . LYS 96 -10.377 16.483 25.067 1.000 12.635 . 96 LYS AAA HD2 c 1 ATOM 1525 C CE . LYS AAA 1 96 CE . LYS 96 -11.426 17.223 23.465 1.000 12.851 . 96 LYS AAA CE . 1 ATOM 1526 H HE3 . LYS AAA 1 96 HE3 . LYS 96 -10.791 17.011 22.756 1.000 13.295 . 96 LYS AAA HE3 c 1 ATOM 1527 H HE2 . LYS AAA 1 96 HE2 . LYS 96 -11.869 18.063 23.239 1.000 13.295 . 96 LYS AAA HE2 c 1 ATOM 1528 N NZ . LYS AAA 1 96 NZ . LYS 96 -12.454 16.128 23.556 1.000 15.002 . 96 LYS AAA NZ . 1 ATOM 1529 H HZ1 . LYS AAA 1 96 HZ1 . LYS 96 -12.049 15.342 23.758 1.000 14.304 . 96 LYS AAA HZ1 c 1 ATOM 1530 H HZ2 . LYS AAA 1 96 HZ2 . LYS 96 -12.885 16.044 22.763 1.000 14.304 . 96 LYS AAA HZ2 c 1 ATOM 1531 H HZ3 . LYS AAA 1 96 HZ3 . LYS 96 -13.058 16.326 24.203 1.000 14.304 . 96 LYS AAA HZ3 c 1 ATOM 1532 C C . LYS AAA 1 96 C . LYS 96 -7.292 19.776 27.535 1.000 12.335 . 96 LYS AAA C . 1 ATOM 1533 O O . LYS AAA 1 96 O . LYS 96 -7.711 20.795 28.050 1.000 11.951 . 96 LYS AAA O . 1 ATOM 1535 N N . LYS AAA 1 97 N . LYS 97 -6.482 18.949 28.166 1.000 13.051 . 97 LYS AAA N . 1 ATOM 1536 H H . LYS AAA 1 97 H . LYS 97 -6.153 18.181 27.802 1.000 13.154 . 97 LYS AAA H c 1 ATOM 1537 C CA . LYS AAA 1 97 CA . LYS 97 -6.059 19.221 29.547 1.000 14.212 . 97 LYS AAA CA . 1 ATOM 1538 H HA . LYS AAA 1 97 HA . LYS 97 -6.855 19.422 30.092 1.000 13.821 . 97 LYS AAA HA c 1 ATOM 1539 C CB . LYS AAA 1 97 CB . LYS 97 -5.335 18.031 30.136 1.000 15.172 . 97 LYS AAA CB . 1 ATOM 1540 H HB3 . LYS AAA 1 97 HB3 . LYS 97 -4.972 18.282 31.010 1.000 15.469 . 97 LYS AAA HB3 c 1 ATOM 1541 H HB2 . LYS AAA 1 97 HB2 . LYS 97 -4.585 17.794 29.552 1.000 15.464 . 97 LYS AAA HB2 c 1 ATOM 1542 C CG . LYS AAA 1 97 CG . LYS 97 -6.228 16.817 30.307 1.000 17.622 . 97 LYS AAA CG . 1 ATOM 1543 H HG3 . LYS AAA 1 97 HG3 . LYS 97 -6.372 16.411 29.427 1.000 17.487 . 97 LYS AAA HG3 c 1 ATOM 1544 H HG2 . LYS AAA 1 97 HG2 . LYS 97 -7.100 17.115 30.643 1.000 17.465 . 97 LYS AAA HG2 c 1 ATOM 1545 C CD . LYS AAA 1 97 CD . LYS 97 -5.679 15.766 31.242 1.000 19.738 . 97 LYS AAA CD . 1 ATOM 1546 H HD3 . LYS AAA 1 97 HD3 . LYS 97 -5.453 16.183 32.101 1.000 19.147 . 97 LYS AAA HD3 c 1 ATOM 1547 H HD2 . LYS AAA 1 97 HD2 . LYS 97 -4.859 15.387 30.860 1.000 19.152 . 97 LYS AAA HD2 c 1 ATOM 1548 C CE . LYS AAA 1 97 CE . LYS 97 -6.667 14.664 31.477 1.000 19.423 . 97 LYS AAA CE . 1 ATOM 1549 H HE3 . LYS AAA 1 97 HE3 . LYS 97 -7.543 15.045 31.676 1.000 20.308 . 97 LYS AAA HE3 c 1 ATOM 1550 H HE2 . LYS AAA 1 97 HE2 . LYS 97 -6.387 14.129 32.243 1.000 20.336 . 97 LYS AAA HE2 c 1 ATOM 1551 N NZ . LYS AAA 1 97 NZ . LYS 97 -6.779 13.789 30.288 1.000 23.132 . 97 LYS AAA NZ . 1 ATOM 1552 H HZ1 . LYS AAA 1 97 HZ1 . LYS 97 -7.129 14.254 29.593 1.000 21.896 . 97 LYS AAA HZ1 c 1 ATOM 1553 H HZ2 . LYS AAA 1 97 HZ2 . LYS 97 -7.322 13.087 30.475 1.000 21.913 . 97 LYS AAA HZ2 c 1 ATOM 1554 H HZ3 . LYS AAA 1 97 HZ3 . LYS 97 -5.959 13.477 30.057 1.000 21.906 . 97 LYS AAA HZ3 c 1 ATOM 1555 C C . LYS AAA 1 97 C . LYS 97 -5.121 20.413 29.572 1.000 12.529 . 97 LYS AAA C . 1 ATOM 1556 O O . LYS AAA 1 97 O . LYS 97 -5.260 21.273 30.448 1.000 12.982 . 97 LYS AAA O . 1 ATOM 1558 N N . ILE AAA 1 98 N . ILE 98 -4.188 20.479 28.618 1.000 13.881 . 98 ILE AAA N . 1 ATOM 1559 H H . ILE AAA 1 98 H . ILE 98 -4.118 19.884 27.933 1.000 13.333 . 98 ILE AAA H c 1 ATOM 1560 C CA . ILE AAA 1 98 CA . ILE 98 -3.203 21.586 28.599 1.000 13.013 . 98 ILE AAA CA . 1 ATOM 1561 H HA . ILE AAA 1 98 HA . ILE 98 -2.727 21.593 29.449 1.000 12.842 . 98 ILE AAA HA c 1 ATOM 1562 C CB . ILE AAA 1 98 CB . ILE 98 -2.178 21.350 27.461 1.000 11.439 . 98 ILE AAA CB . 1 ATOM 1563 H HB . ILE AAA 1 98 HB . ILE 98 -2.670 21.329 26.604 1.000 11.929 . 98 ILE AAA HB c 1 ATOM 1564 C CG1 . ILE AAA 1 98 CG1 . ILE 98 -1.435 20.037 27.608 1.000 12.201 . 98 ILE AAA CG1 . 1 ATOM 1565 H HG12 . ILE AAA 1 98 HG12 . ILE 98 -2.089 19.311 27.662 1.000 12.014 . 98 ILE AAA HG12 c 1 ATOM 1566 H HG13 . ILE AAA 1 98 HG13 . ILE 98 -0.946 20.055 28.454 1.000 12.010 . 98 ILE AAA HG13 c 1 ATOM 1567 C CG2 . ILE AAA 1 98 CG2 . ILE 98 -1.204 22.535 27.427 1.000 11.750 . 98 ILE AAA CG2 . 1 ATOM 1568 H HG21 . ILE AAA 1 98 HG21 . ILE 98 -1.693 23.358 27.255 1.000 11.656 . 98 ILE AAA HG21 c 1 ATOM 1569 H HG22 . ILE AAA 1 98 HG22 . ILE 98 -0.549 22.402 26.721 1.000 11.656 . 98 ILE AAA HG22 c 1 ATOM 1570 C CD1 . ILE AAA 1 98 CD1 . ILE 98 -0.459 19.717 26.497 1.000 12.149 . 98 ILE AAA CD1 . 1 ATOM 1571 H HD11 . ILE AAA 1 98 HD11 . ILE 98 -0.913 19.772 25.638 1.000 12.165 . 98 ILE AAA HD11 c 1 ATOM 1572 H HD12 . ILE AAA 1 98 HD12 . ILE 98 -0.111 18.817 26.620 1.000 12.166 . 98 ILE AAA HD12 c 1 ATOM 1573 H HD13 . ILE AAA 1 98 HD13 . ILE 98 0.278 20.352 26.514 1.000 12.163 . 98 ILE AAA HD13 c 1 ATOM 1574 H HG23 . ILE AAA 1 98 HG23 . ILE 98 -0.746 22.606 28.282 1.000 11.654 . 98 ILE AAA HG23 c 1 ATOM 1575 C C . ILE AAA 1 98 C . ILE 98 -3.913 22.929 28.421 1.000 12.946 . 98 ILE AAA C . 1 ATOM 1576 O O . ILE AAA 1 98 O . ILE 98 -3.684 23.864 29.162 1.000 13.174 . 98 ILE AAA O . 1 ATOM 1578 N N . VAL AAA 1 99 N . VAL 99 -4.742 23.029 27.396 1.000 13.476 . 99 VAL AAA N . 1 ATOM 1579 H H . VAL AAA 1 99 H . VAL 99 -4.928 22.337 26.833 1.000 13.317 . 99 VAL AAA H c 1 ATOM 1580 C CA . VAL AAA 1 99 CA . VAL 99 -5.439 24.286 27.073 1.000 13.360 . 99 VAL AAA CA . 1 ATOM 1581 H HA . VAL AAA 1 99 HA . VAL 99 -4.765 24.979 26.962 1.000 13.384 . 99 VAL AAA HA c 1 ATOM 1582 C CB . VAL AAA 1 99 CB . VAL 99 -6.199 24.154 25.764 1.000 12.810 . 99 VAL AAA CB . 1 ATOM 1583 H HB . VAL AAA 1 99 HB . VAL 99 -5.606 23.696 25.120 1.000 12.899 . 99 VAL AAA HB c 1 ATOM 1584 C CG1 . VAL AAA 1 99 CG1 . VAL 99 -7.461 23.306 25.933 1.000 12.641 . 99 VAL AAA CG1 . 1 ATOM 1585 H HG11 . VAL AAA 1 99 HG11 . VAL 99 -7.217 22.424 26.261 1.000 12.691 . 99 VAL AAA HG11 c 1 ATOM 1586 H HG12 . VAL AAA 1 99 HG12 . VAL 99 -7.908 23.218 25.074 1.000 12.694 . 99 VAL AAA HG12 c 1 ATOM 1587 H HG13 . VAL AAA 1 99 HG13 . VAL 99 -8.061 23.732 26.566 1.000 12.698 . 99 VAL AAA HG13 c 1 ATOM 1588 C CG2 . VAL AAA 1 99 CG2 . VAL 99 -6.530 25.551 25.197 1.000 12.929 . 99 VAL AAA CG2 . 1 ATOM 1589 H HG21 . VAL AAA 1 99 HG21 . VAL 99 -7.104 26.030 25.818 1.000 12.899 . 99 VAL AAA HG21 c 1 ATOM 1590 H HG22 . VAL AAA 1 99 HG22 . VAL 99 -6.988 25.453 24.344 1.000 12.894 . 99 VAL AAA HG22 c 1 ATOM 1591 H HG23 . VAL AAA 1 99 HG23 . VAL 99 -5.707 26.051 25.064 1.000 12.895 . 99 VAL AAA HG23 c 1 ATOM 1592 C C . VAL AAA 1 99 C . VAL 99 -6.368 24.710 28.221 1.000 13.958 . 99 VAL AAA C . 1 ATOM 1593 O O . VAL AAA 1 99 O . VAL 99 -6.809 25.874 28.265 1.000 14.712 . 99 VAL AAA O . 1 ATOM 1595 N N . SER AAA 1 100 N . SER 100 -6.699 23.793 29.120 1.000 14.217 . 100 SER AAA N . 1 ATOM 1596 H H . SER AAA 1 100 H . SER 100 -6.431 22.926 29.087 1.000 14.310 . 100 SER AAA H c 1 ATOM 1597 C CA . SER AAA 1 100 CA . SER 100 -7.597 24.069 30.273 1.000 14.920 . 100 SER AAA CA . 1 ATOM 1598 H HA . SER AAA 1 100 HA . SER 100 -8.225 24.795 30.012 1.000 14.792 . 100 SER AAA HA c 1 ATOM 1599 C CB . SER AAA 1 100 CB . SER 100 -8.402 22.844 30.616 1.000 15.265 . 100 SER AAA CB . 1 ATOM 1600 H HB3 . SER AAA 1 100 HB3 . SER 100 -9.000 23.057 31.367 1.000 15.367 . 100 SER AAA HB3 c 1 ATOM 1601 H HB2 . SER AAA 1 100 HB2 . SER 100 -7.788 22.136 30.916 1.000 15.364 . 100 SER AAA HB2 c 1 ATOM 1602 O OG . SER AAA 1 100 OG . SER 100 -9.180 22.349 29.537 1.000 16.084 . 100 SER AAA OG . 1 ATOM 1603 H HG . SER AAA 1 100 HG . SER 100 -9.599 21.663 29.811 0.000 15.980 . 100 SER AAA HG c 1 ATOM 1604 C C . SER AAA 1 100 C . SER 100 -6.829 24.523 31.511 1.000 14.638 . 100 SER AAA C . 1 ATOM 1605 O O . SER AAA 1 100 O . SER 100 -7.474 24.881 32.501 1.000 14.415 . 100 SER AAA O . 1 ATOM 1607 N N . ASP AAA 1 101 N . ASP 101 -5.501 24.485 31.504 1.000 14.866 . 101 ASP AAA N . 1 ATOM 1608 H H . ASP AAA 1 101 H . ASP 101 -5.005 24.303 30.763 1.000 14.931 . 101 ASP AAA H c 1 ATOM 1609 C CA . ASP AAA 1 101 CA . ASP 101 -4.707 24.749 32.735 1.000 15.398 . 101 ASP AAA CA . 1 ATOM 1610 H HA . ASP AAA 1 101 HA . ASP 101 -5.166 24.289 33.476 1.000 15.299 . 101 ASP AAA HA c 1 ATOM 1611 C CB . ASP AAA 1 101 CB . ASP 101 -3.330 24.134 32.636 1.000 15.604 . 101 ASP AAA CB . 1 ATOM 1612 H HB3 . ASP AAA 1 101 HB3 . ASP 101 -3.419 23.211 32.322 1.000 15.672 . 101 ASP AAA HB3 c 1 ATOM 1613 H HB2 . ASP AAA 1 101 HB2 . ASP 101 -2.943 24.113 33.532 1.000 15.698 . 101 ASP AAA HB2 c 1 ATOM 1614 C CG . ASP AAA 1 101 CG . ASP 101 -2.349 24.853 31.724 1.000 16.082 . 101 ASP AAA CG . 1 ATOM 1615 O OD1 . ASP AAA 1 101 OD1 . ASP 101 -2.679 25.930 31.187 1.000 17.072 . 101 ASP AAA OD1 . 1 ATOM 1616 O OD2 . ASP AAA 1 101 OD2 . ASP 101 -1.268 24.298 31.527 1.000 17.787 . 101 ASP AAA OD2 . 1 ATOM 1617 C C . ASP AAA 1 101 C . ASP 101 -4.579 26.231 33.130 1.000 15.232 . 101 ASP AAA C . 1 ATOM 1618 O O . ASP AAA 1 101 O . ASP 101 -3.912 26.511 34.142 1.000 15.309 . 101 ASP AAA O . 1 ATOM 1620 N N . GLY AAA 1 102 N . GLY 102 -5.156 27.167 32.394 1.000 15.743 . 102 GLY AAA N . 1 ATOM 1621 H H . GLY AAA 1 102 H . GLY 102 -5.612 26.994 31.626 1.000 15.415 . 102 GLY AAA H c 1 ATOM 1622 C CA . GLY AAA 1 102 CA . GLY 102 -5.075 28.583 32.778 1.000 14.892 . 102 GLY AAA CA . 1 ATOM 1623 H HA3 . GLY AAA 1 102 HA3 . GLY 102 -4.511 28.665 33.587 1.000 15.061 . 102 GLY AAA HA3 c 1 ATOM 1624 H HA2 . GLY AAA 1 102 HA2 . GLY 102 -5.984 28.892 33.022 1.000 15.060 . 102 GLY AAA HA2 c 1 ATOM 1625 C C . GLY AAA 1 102 C . GLY 102 -4.519 29.501 31.699 1.000 14.772 . 102 GLY AAA C . 1 ATOM 1626 O O . GLY AAA 1 102 O . GLY 102 -4.958 30.661 31.608 1.000 14.092 . 102 GLY AAA O . 1 ATOM 1628 N N . ASN AAA 1 103 N . ASN 103 -3.593 29.038 30.872 1.000 14.355 . 103 ASN AAA N . 1 ATOM 1629 H H . ASN AAA 1 103 H . ASN 103 -3.295 28.178 30.868 1.000 14.438 . 103 ASN AAA H c 1 ATOM 1630 C CA . ASN AAA 1 103 CA . ASN 103 -2.967 29.935 29.873 1.000 14.283 . 103 ASN AAA CA . 1 ATOM 1631 H HA . ASN AAA 1 103 HA . ASN 103 -3.214 30.863 30.088 1.000 14.522 . 103 ASN AAA HA c 1 ATOM 1632 C CB . ASN AAA 1 103 CB . ASN 103 -1.451 29.825 29.996 1.000 15.872 . 103 ASN AAA CB . 1 ATOM 1633 H HB3 . ASN AAA 1 103 HB3 . ASN 103 -1.034 30.380 29.306 1.000 15.789 . 103 ASN AAA HB3 c 1 ATOM 1634 H HB2 . ASN AAA 1 103 HB2 . ASN 103 -1.185 28.896 29.839 1.000 15.806 . 103 ASN AAA HB2 c 1 ATOM 1635 C CG . ASN AAA 1 103 CG . ASN 103 -0.946 30.261 31.350 1.000 17.253 . 103 ASN AAA CG . 1 ATOM 1636 O OD1 . ASN AAA 1 103 OD1 . ASN 103 -1.554 31.153 31.958 1.000 18.805 . 103 ASN AAA OD1 . 1 ATOM 1637 N ND2 . ASN AAA 1 103 ND2 . ASN 103 0.186 29.697 31.792 1.000 19.132 . 103 ASN AAA ND2 . 1 ATOM 1638 H HD21 . ASN AAA 1 103 HD21 . ASN 103 0.514 29.927 32.582 0.000 19.210 . 103 ASN AAA HD21 c 1 ATOM 1639 H HD22 . ASN AAA 1 103 HD22 . ASN 103 0.604 29.099 31.297 0.000 19.210 . 103 ASN AAA HD22 c 1 ATOM 1640 C C . ASN AAA 1 103 C . ASN 103 -3.459 29.624 28.474 1.000 13.919 . 103 ASN AAA C . 1 ATOM 1641 O O . ASN AAA 1 103 O . ASN 103 -2.852 30.120 27.517 1.000 14.330 . 103 ASN AAA O . 1 ATOM 1643 N N . GLY AAA 1 104 N . GLY 104 -4.564 28.902 28.331 1.000 12.827 . 104 GLY AAA N . 1 ATOM 1644 H H . GLY AAA 1 104 H . GLY 104 -4.994 28.515 29.033 1.000 12.922 . 104 GLY AAA H c 1 ATOM 1645 C CA . GLY AAA 1 104 CA . GLY 104 -5.195 28.661 27.032 1.000 12.169 . 104 GLY AAA CA . 1 ATOM 1646 H HA3 . GLY AAA 1 104 HA3 . GLY 104 -5.609 29.502 26.715 1.000 12.528 . 104 GLY AAA HA3 c 1 ATOM 1647 H HA2 . GLY AAA 1 104 HA2 . GLY 104 -5.909 27.986 27.140 1.000 12.533 . 104 GLY AAA HA2 c 1 ATOM 1648 C C . GLY AAA 1 104 C . GLY 104 -4.183 28.171 25.998 1.000 13.068 . 104 GLY AAA C . 1 ATOM 1649 O O . GLY AAA 1 104 O . GLY 104 -3.270 27.380 26.313 1.000 12.518 . 104 GLY AAA O . 1 ATOM 1651 N N . MET AAA 1 105 N . MET 105 -4.295 28.630 24.760 1.000 11.787 . 105 MET AAA N . 1 ATOM 1652 H H . MET AAA 1 105 H . MET 105 -4.893 29.264 24.505 1.000 11.925 . 105 MET AAA H c 1 ATOM 1653 C CA . MET AAA 1 105 CA . MET 105 -3.393 28.137 23.693 1.000 11.220 . 105 MET AAA CA . 1 ATOM 1654 H HA . MET AAA 1 105 HA . MET 105 -3.253 27.178 23.866 1.000 11.209 . 105 MET AAA HA c 1 ATOM 1655 C CB . MET AAA 1 105 CB . MET 105 -4.031 28.266 22.306 1.000 10.231 . 105 MET AAA CB . 1 ATOM 1656 H HB3 . MET AAA 1 105 HB3 . MET 105 -3.341 28.168 21.621 1.000 10.299 . 105 MET AAA HB3 c 1 ATOM 1657 H HB2 . MET AAA 1 105 HB2 . MET 105 -4.432 29.153 22.215 1.000 10.297 . 105 MET AAA HB2 c 1 ATOM 1658 C CG . MET AAA 1 105 CG . MET 105 -5.114 27.185 22.104 1.000 9.570 . 105 MET AAA CG . 1 ATOM 1659 H HG3 . MET AAA 1 105 HG3 . MET 105 -5.900 27.405 22.649 1.000 10.064 . 105 MET AAA HG3 c 1 ATOM 1660 H HG2 . MET AAA 1 105 HG2 . MET 105 -4.769 26.317 22.403 1.000 10.065 . 105 MET AAA HG2 c 1 ATOM 1661 S SD . MET AAA 1 105 SD . MET 105 -5.617 27.051 20.371 1.000 11.078 . 105 MET AAA SD . 1 ATOM 1662 C CE . MET AAA 1 105 CE . MET 105 -4.295 26.011 19.733 1.000 11.150 . 105 MET AAA CE . 1 ATOM 1663 H HE3 . MET AAA 1 105 HE3 . MET 105 -4.283 25.175 20.214 1.000 11.126 . 105 MET AAA HE3 c 1 ATOM 1664 H HE2 . MET AAA 1 105 HE2 . MET 105 -3.449 26.461 19.847 1.000 11.127 . 105 MET AAA HE2 c 1 ATOM 1665 H HE1 . MET AAA 1 105 HE1 . MET 105 -4.445 25.841 18.795 1.000 11.127 . 105 MET AAA HE1 c 1 ATOM 1666 C C . MET AAA 1 105 C . MET 105 -2.004 28.804 23.743 1.000 11.661 . 105 MET AAA C . 1 ATOM 1667 O O . MET AAA 1 105 O . MET 105 -1.152 28.438 22.923 1.000 12.027 . 105 MET AAA O . 1 ATOM 1669 N N . ASN AAA 1 106 N . ASN 106 -1.736 29.700 24.681 1.000 11.916 . 106 ASN AAA N . 1 ATOM 1670 H H . ASN AAA 1 106 H . ASN 106 -2.337 29.975 25.305 1.000 12.001 . 106 ASN AAA H c 1 ATOM 1671 C CA . ASN AAA 1 106 CA . ASN 106 -0.411 30.352 24.772 1.000 12.542 . 106 ASN AAA CA . 1 ATOM 1672 H HA . ASN AAA 1 106 HA . ASN 106 -0.176 30.706 23.882 1.000 12.046 . 106 ASN AAA HA c 1 ATOM 1673 C CB . ASN AAA 1 106 CB . ASN 106 -0.423 31.535 25.767 1.000 11.643 . 106 ASN AAA CB . 1 ATOM 1674 H HB3 . ASN AAA 1 106 HB3 . ASN 106 0.498 31.827 25.921 1.000 12.160 . 106 ASN AAA HB3 c 1 ATOM 1675 H HB2 . ASN AAA 1 106 HB2 . ASN 106 -0.789 31.228 26.621 1.000 12.166 . 106 ASN AAA HB2 c 1 ATOM 1676 C CG . ASN AAA 1 106 CG . ASN 106 -1.240 32.718 25.272 1.000 13.000 . 106 ASN AAA CG . 1 ATOM 1677 O OD1 . ASN AAA 1 106 OD1 . ASN 106 -0.874 33.303 24.258 1.000 12.233 . 106 ASN AAA OD1 . 1 ATOM 1678 N ND2 . ASN AAA 1 106 ND2 . ASN 106 -2.374 32.991 25.946 1.000 12.981 . 106 ASN AAA ND2 . 1 ATOM 1679 H HD21 . ASN AAA 1 106 HD21 . ASN 106 -2.885 33.669 25.699 0.000 13.010 . 106 ASN AAA HD21 c 1 ATOM 1680 H HD22 . ASN AAA 1 106 HD22 . ASN 106 -2.604 32.495 26.641 0.000 13.010 . 106 ASN AAA HD22 c 1 ATOM 1681 C C . ASN AAA 1 106 C . ASN 106 0.623 29.289 25.170 1.000 11.504 . 106 ASN AAA C . 1 ATOM 1682 O O . ASN AAA 1 106 O . ASN 106 1.841 29.518 25.149 1.000 12.498 . 106 ASN AAA O . 1 ATOM 1684 N N . ALA AAA 1 107 N . ALA 107 0.138 28.123 25.591 1.000 11.781 . 107 ALA AAA N . 1 ATOM 1685 H H . ALA AAA 1 107 H . ALA 107 -0.743 27.938 25.717 1.000 11.673 . 107 ALA AAA H c 1 ATOM 1686 C CA . ALA AAA 1 107 CA . ALA 107 1.029 27.002 25.977 1.000 11.602 . 107 ALA AAA CA . 1 ATOM 1687 H HA . ALA AAA 1 107 HA . ALA 107 1.662 27.317 26.665 1.000 11.624 . 107 ALA AAA HA c 1 ATOM 1688 C CB . ALA AAA 1 107 CB . ALA 107 0.202 25.872 26.538 1.000 11.586 . 107 ALA AAA CB . 1 ATOM 1689 H HB3 . ALA AAA 1 107 HB3 . ALA 107 -0.442 25.578 25.872 1.000 11.603 . 107 ALA AAA HB3 c 1 ATOM 1690 H HB2 . ALA AAA 1 107 HB2 . ALA 107 -0.269 26.177 27.330 1.000 11.641 . 107 ALA AAA HB2 c 1 ATOM 1691 H HB1 . ALA AAA 1 107 HB1 . ALA 107 0.784 25.130 26.774 1.000 11.603 . 107 ALA AAA HB1 c 1 ATOM 1692 C C . ALA AAA 1 107 C . ALA 107 1.813 26.532 24.755 1.000 11.547 . 107 ALA AAA C . 1 ATOM 1693 O O . ALA AAA 1 107 O . ALA 107 2.908 25.975 24.896 1.000 12.328 . 107 ALA AAA O . 1 ATOM 1695 N N . TRP AAA 1 108 N . TRP 108 1.260 26.790 23.565 1.000 11.433 . 108 TRP AAA N . 1 ATOM 1696 H H . TRP AAA 1 108 H . TRP 108 0.441 27.171 23.455 1.000 11.606 . 108 TRP AAA H c 1 ATOM 1697 C CA . TRP AAA 1 108 CA . TRP 108 1.938 26.429 22.297 1.000 12.075 . 108 TRP AAA CA . 1 ATOM 1698 H HA . TRP AAA 1 108 HA . TRP 108 2.634 25.755 22.476 1.000 11.664 . 108 TRP AAA HA c 1 ATOM 1699 C CB . TRP AAA 1 108 CB . TRP 108 0.918 25.855 21.309 1.000 10.994 . 108 TRP AAA CB . 1 ATOM 1700 H HB3 . TRP AAA 1 108 HB3 . TRP 108 1.321 25.838 20.417 1.000 11.354 . 108 TRP AAA HB3 c 1 ATOM 1701 H HB2 . TRP AAA 1 108 HB2 . TRP 108 0.140 26.448 21.280 1.000 11.354 . 108 TRP AAA HB2 c 1 ATOM 1702 C CG . TRP AAA 1 108 CG . TRP 108 0.478 24.475 21.681 1.000 11.475 . 108 TRP AAA CG . 1 ATOM 1703 C CD1 . TRP AAA 1 108 CD1 . TRP 108 1.143 23.306 21.451 1.000 11.026 . 108 TRP AAA CD1 . 1 ATOM 1704 H HD1 . TRP AAA 1 108 HD1 . TRP 108 1.960 23.224 20.984 1.000 11.433 . 108 TRP AAA HD1 c 1 ATOM 1705 N NE1 . TRP AAA 1 108 NE1 . TRP 108 0.432 22.256 21.963 1.000 12.679 . 108 TRP AAA NE1 . 1 ATOM 1706 H HE1 . TRP AAA 1 108 HE1 . TRP 108 0.683 21.421 21.943 1.000 11.888 . 108 TRP AAA HE1 c 1 ATOM 1707 C CE2 . TRP AAA 1 108 CE2 . TRP 108 -0.697 22.723 22.571 1.000 11.678 . 108 TRP AAA CE2 . 1 ATOM 1708 C CD2 . TRP AAA 1 108 CD2 . TRP 108 -0.691 24.123 22.427 1.000 10.516 . 108 TRP AAA CD2 . 1 ATOM 1709 C CE3 . TRP AAA 1 108 CE3 . TRP 108 -1.785 24.839 22.924 1.000 10.911 . 108 TRP AAA CE3 . 1 ATOM 1710 H HE3 . TRP AAA 1 108 HE3 . TRP 108 -1.806 25.780 22.864 1.000 10.774 . 108 TRP AAA HE3 c 1 ATOM 1711 C CZ3 . TRP AAA 1 108 CZ3 . TRP 108 -2.768 24.153 23.613 1.000 10.481 . 108 TRP AAA CZ3 . 1 ATOM 1712 H HZ3 . TRP AAA 1 108 HZ3 . TRP 108 -3.491 24.637 23.979 1.000 10.678 . 108 TRP AAA HZ3 c 1 ATOM 1713 C CH2 . TRP AAA 1 108 CH2 . TRP 108 -2.729 22.776 23.784 1.000 10.594 . 108 TRP AAA CH2 . 1 ATOM 1714 H HH2 . TRP AAA 1 108 HH2 . TRP 108 -3.439 22.341 24.224 1.000 10.697 . 108 TRP AAA HH2 c 1 ATOM 1715 C CZ2 . TRP AAA 1 108 CZ2 . TRP 108 -1.690 22.033 23.271 1.000 10.859 . 108 TRP AAA CZ2 . 1 ATOM 1716 H HZ2 . TRP AAA 1 108 HZ2 . TRP 108 -1.671 21.094 23.347 1.000 10.998 . 108 TRP AAA HZ2 c 1 ATOM 1717 C C . TRP AAA 1 108 C . TRP 108 2.574 27.724 21.803 1.000 11.670 . 108 TRP AAA C . 1 ATOM 1718 O O . TRP AAA 1 108 O . TRP 108 1.851 28.599 21.262 1.000 11.654 . 108 TRP AAA O . 1 ATOM 1720 N N . VAL AAA 1 109 N . VAL 109 3.889 27.881 21.991 1.000 11.977 . 109 VAL AAA N . 1 ATOM 1721 H H . VAL AAA 1 109 H . VAL 109 4.428 27.254 22.373 1.000 11.816 . 109 VAL AAA H c 1 ATOM 1722 C CA . VAL AAA 1 109 CA . VAL 109 4.567 29.118 21.560 1.000 11.615 . 109 VAL AAA CA . 1 ATOM 1723 H HA . VAL AAA 1 109 HA . VAL 109 4.196 29.863 22.066 1.000 11.784 . 109 VAL AAA HA c 1 ATOM 1724 C CB A VAL AAA 1 109 CB . VAL 109 6.082 29.013 21.877 0.500 11.741 . 109 VAL AAA CB . 1 ATOM 1725 H HB . VAL AAA 1 109 HB . VAL 109 6.399 28.146 21.522 0.500 11.819 . 109 VAL AAA HB c 1 ATOM 1726 C CG1 A VAL AAA 1 109 CG1 . VAL 109 6.883 30.114 21.191 0.500 12.567 . 109 VAL AAA CG1 . 1 ATOM 1727 H HG11 . VAL AAA 1 109 HG11 . VAL 109 6.870 29.978 20.227 0.500 12.307 . 109 VAL AAA HG11 c 1 ATOM 1728 H HG12 . VAL AAA 1 109 HG12 . VAL 109 7.804 30.089 21.507 0.500 12.307 . 109 VAL AAA HG12 c 1 ATOM 1729 H HG13 . VAL AAA 1 109 HG13 . VAL 109 6.493 30.980 21.402 0.500 12.307 . 109 VAL AAA HG13 c 1 ATOM 1730 C CG2 A VAL AAA 1 109 CG2 . VAL 109 6.365 29.033 23.355 0.500 11.409 . 109 VAL AAA CG2 . 1 ATOM 1731 H HG21 . VAL AAA 1 109 HG21 . VAL 109 6.032 29.863 23.738 0.500 11.513 . 109 VAL AAA HG21 c 1 ATOM 1732 H HG22 . VAL AAA 1 109 HG22 . VAL 109 7.325 28.971 23.503 0.500 11.513 . 109 VAL AAA HG22 c 1 ATOM 1733 H HG23 . VAL AAA 1 109 HG23 . VAL 109 5.923 28.280 23.783 0.500 11.526 . 109 VAL AAA HG23 c 1 ATOM 1734 C C . VAL AAA 1 109 C . VAL 109 4.342 29.381 20.078 1.000 12.017 . 109 VAL AAA C . 1 ATOM 1735 O O . VAL AAA 1 109 O . VAL 109 4.200 30.527 19.693 1.000 12.110 . 109 VAL AAA O . 1 ATOM 1737 N N . ALA AAA 1 110 N . ALA 110 4.368 28.345 19.234 1.000 11.542 . 110 ALA AAA N . 1 ATOM 1738 H H . ALA AAA 1 110 H . ALA 110 4.498 27.474 19.469 1.000 11.597 . 110 ALA AAA H c 1 ATOM 1739 C CA . ALA AAA 1 110 CA . ALA 110 4.185 28.553 17.788 1.000 11.303 . 110 ALA AAA CA . 1 ATOM 1740 H HA . ALA AAA 1 110 HA . ALA 110 4.849 29.212 17.480 1.000 11.567 . 110 ALA AAA HA c 1 ATOM 1741 C CB . ALA AAA 1 110 CB . ALA 110 4.405 27.258 17.041 1.000 12.151 . 110 ALA AAA CB . 1 ATOM 1742 H HB3 . ALA AAA 1 110 HB3 . ALA 110 3.756 26.598 17.335 1.000 11.883 . 110 ALA AAA HB3 c 1 ATOM 1743 H HB2 . ALA AAA 1 110 HB2 . ALA 110 5.303 26.930 17.217 1.000 11.883 . 110 ALA AAA HB2 c 1 ATOM 1744 H HB1 . ALA AAA 1 110 HB1 . ALA 110 4.299 27.411 16.087 1.000 11.883 . 110 ALA AAA HB1 c 1 ATOM 1745 C C . ALA AAA 1 110 C . ALA 110 2.778 29.100 17.484 1.000 11.620 . 110 ALA AAA C . 1 ATOM 1746 O O . ALA AAA 1 110 O . ALA 110 2.620 29.841 16.503 1.000 11.212 . 110 ALA AAA O . 1 ATOM 1748 N N . TRP AAA 1 111 N . TRP 111 1.800 28.767 18.307 1.000 11.737 . 111 TRP AAA N . 1 ATOM 1749 H H . TRP AAA 1 111 H . TRP 111 1.891 28.197 19.011 1.000 11.648 . 111 TRP AAA H c 1 ATOM 1750 C CA . TRP AAA 1 111 CA . TRP 111 0.442 29.302 18.117 1.000 11.475 . 111 TRP AAA CA . 1 ATOM 1751 H HA . TRP AAA 1 111 HA . TRP 111 0.182 29.176 17.175 1.000 11.725 . 111 TRP AAA HA c 1 ATOM 1752 C CB . TRP AAA 1 111 CB . TRP 111 -0.574 28.593 19.002 1.000 11.869 . 111 TRP AAA CB . 1 ATOM 1753 H HB3 . TRP AAA 1 111 HB3 . TRP 111 -0.250 28.607 19.923 1.000 11.460 . 111 TRP AAA HB3 c 1 ATOM 1754 H HB2 . TRP AAA 1 111 HB2 . TRP 111 -0.640 27.659 18.716 1.000 11.460 . 111 TRP AAA HB2 c 1 ATOM 1755 C CG . TRP AAA 1 111 CG . TRP 111 -1.922 29.226 18.944 1.000 10.574 . 111 TRP AAA CG . 1 ATOM 1756 C CD1 . TRP AAA 1 111 CD1 . TRP 111 -2.901 28.990 18.013 1.000 10.091 . 111 TRP AAA CD1 . 1 ATOM 1757 H HD1 . TRP AAA 1 111 HD1 . TRP 111 -2.829 28.392 17.285 1.000 10.345 . 111 TRP AAA HD1 c 1 ATOM 1758 N NE1 . TRP AAA 1 111 NE1 . TRP 111 -3.970 29.822 18.234 1.000 10.463 . 111 TRP AAA NE1 . 1 ATOM 1759 H HE1 . TRP AAA 1 111 HE1 . TRP 111 -4.709 29.830 17.773 1.000 10.518 . 111 TRP AAA HE1 c 1 ATOM 1760 C CE2 . TRP AAA 1 111 CE2 . TRP 111 -3.710 30.576 19.344 1.000 10.973 . 111 TRP AAA CE2 . 1 ATOM 1761 C CD2 . TRP AAA 1 111 CD2 . TRP 111 -2.423 30.236 19.816 1.000 10.584 . 111 TRP AAA CD2 . 1 ATOM 1762 C CE3 . TRP AAA 1 111 CE3 . TRP 111 -1.930 30.868 20.963 1.000 10.724 . 111 TRP AAA CE3 . 1 ATOM 1763 H HE3 . TRP AAA 1 111 HE3 . TRP 111 -1.060 30.687 21.283 1.000 10.815 . 111 TRP AAA HE3 c 1 ATOM 1764 C CZ3 . TRP AAA 1 111 CZ3 . TRP 111 -2.726 31.841 21.555 1.000 11.374 . 111 TRP AAA CZ3 . 1 ATOM 1765 H HZ3 . TRP AAA 1 111 HZ3 . TRP 111 -2.411 32.287 22.325 1.000 10.938 . 111 TRP AAA HZ3 c 1 ATOM 1766 C CH2 . TRP AAA 1 111 CH2 . TRP 111 -3.990 32.145 21.075 1.000 10.374 . 111 TRP AAA CH2 . 1 ATOM 1767 H HH2 . TRP AAA 1 111 HH2 . TRP 111 -4.510 32.789 21.522 1.000 10.586 . 111 TRP AAA HH2 c 1 ATOM 1768 C CZ2 . TRP AAA 1 111 CZ2 . TRP 111 -4.507 31.519 19.973 1.000 10.255 . 111 TRP AAA CZ2 . 1 ATOM 1769 H HZ2 . TRP AAA 1 111 HZ2 . TRP 111 -5.366 31.727 19.646 1.000 10.480 . 111 TRP AAA HZ2 c 1 ATOM 1770 C C . TRP AAA 1 111 C . TRP 111 0.472 30.790 18.443 1.000 12.151 . 111 TRP AAA C . 1 ATOM 1771 O O . TRP AAA 1 111 O . TRP 111 -0.081 31.578 17.682 1.000 11.859 . 111 TRP AAA O . 1 ATOM 1773 N N . ARG AAA 1 112 N . ARG 112 1.044 31.128 19.579 1.000 11.669 . 112 ARG AAA N . 1 ATOM 1774 H H . ARG AAA 1 112 H . ARG 112 1.413 30.539 20.168 1.000 11.837 . 112 ARG AAA H c 1 ATOM 1775 C CA . ARG AAA 1 112 CA . ARG 112 1.101 32.554 19.969 1.000 11.898 . 112 ARG AAA CA . 1 ATOM 1776 H HA . ARG AAA 1 112 HA . ARG 112 0.178 32.886 20.043 1.000 12.073 . 112 ARG AAA HA c 1 ATOM 1777 C CB . ARG AAA 1 112 CB . ARG 112 1.791 32.738 21.317 1.000 13.467 . 112 ARG AAA CB . 1 ATOM 1778 H HB3 . ARG AAA 1 112 HB3 . ARG 112 2.692 32.355 21.267 1.000 13.543 . 112 ARG AAA HB3 c 1 ATOM 1779 H HB2 . ARG AAA 1 112 HB2 . ARG 112 1.288 32.247 22.000 1.000 13.543 . 112 ARG AAA HB2 c 1 ATOM 1780 C CG . ARG AAA 1 112 CG . ARG 112 1.892 34.212 21.728 1.000 15.612 . 112 ARG AAA CG . 1 ATOM 1781 H HG3 . ARG AAA 1 112 HG3 . ARG 112 1.025 34.642 21.574 1.000 15.532 . 112 ARG AAA HG3 c 1 ATOM 1782 H HG2 . ARG AAA 1 112 HG2 . ARG 112 2.547 34.657 21.150 1.000 15.536 . 112 ARG AAA HG2 c 1 ATOM 1783 C CD . ARG AAA 1 112 CD . ARG 112 2.299 34.451 23.194 1.000 17.703 . 112 ARG AAA CD . 1 ATOM 1784 H HD3 . ARG AAA 1 112 HD3 . ARG 112 1.549 34.200 23.774 1.000 17.386 . 112 ARG AAA HD3 c 1 ATOM 1785 H HD2 . ARG AAA 1 112 HD2 . ARG 112 2.467 35.408 23.328 1.000 17.410 . 112 ARG AAA HD2 c 1 ATOM 1786 N NE . ARG AAA 1 112 NE . ARG 112 3.480 33.695 23.602 1.000 18.631 . 112 ARG AAA NE . 1 ATOM 1787 H HE . ARG AAA 1 112 HE . ARG 112 3.369 33.000 24.117 1.000 19.137 . 112 ARG AAA HE c 1 ATOM 1788 C CZ . ARG AAA 1 112 CZ . ARG 112 4.725 34.011 23.230 1.000 21.281 . 112 ARG AAA CZ . 1 ATOM 1789 N NH1 . ARG AAA 1 112 NH1 . ARG 112 4.929 35.069 22.464 1.000 21.618 . 112 ARG AAA NH1 . 1 ATOM 1790 H HH11 . ARG AAA 1 112 HH11 . ARG 112 4.257 35.556 22.187 1.000 21.335 . 112 ARG AAA HH11 c 1 ATOM 1791 H HH12 . ARG AAA 1 112 HH12 . ARG 112 5.748 35.280 22.224 1.000 21.375 . 112 ARG AAA HH12 c 1 ATOM 1792 N NH2 . ARG AAA 1 112 NH2 . ARG 112 5.765 33.311 23.643 1.000 21.674 . 112 ARG AAA NH2 . 1 ATOM 1793 H HH21 . ARG AAA 1 112 HH21 . ARG 112 5.643 32.606 24.157 1.000 21.419 . 112 ARG AAA HH21 c 1 ATOM 1794 H HH22 . ARG AAA 1 112 HH22 . ARG 112 6.577 33.537 23.388 1.000 21.419 . 112 ARG AAA HH22 c 1 ATOM 1795 C C . ARG AAA 1 112 C . ARG 112 1.828 33.385 18.911 1.000 11.565 . 112 ARG AAA C . 1 ATOM 1796 O O . ARG AAA 1 112 O . ARG 112 1.360 34.508 18.562 1.000 12.005 . 112 ARG AAA O . 1 ATOM 1798 N N . ASN AAA 1 113 N . ASN 113 2.938 32.883 18.383 1.000 12.056 . 113 ASN AAA N . 1 ATOM 1799 H H . ASN AAA 1 113 H . ASN 113 3.254 32.050 18.574 1.000 11.804 . 113 ASN AAA H c 1 ATOM 1800 C CA . ASN AAA 1 113 CA . ASN 113 3.754 33.650 17.439 1.000 11.473 . 113 ASN AAA CA . 1 ATOM 1801 H HA . ASN AAA 1 113 HA . ASN 113 3.710 34.596 17.710 1.000 11.861 . 113 ASN AAA HA c 1 ATOM 1802 C CB . ASN AAA 1 113 CB . ASN 113 5.219 33.237 17.508 1.000 12.857 . 113 ASN AAA CB . 1 ATOM 1803 H HB3 . ASN AAA 1 113 HB3 . ASN 113 5.704 33.640 16.760 1.000 12.596 . 113 ASN AAA HB3 c 1 ATOM 1804 H HB2 . ASN AAA 1 113 HB2 . ASN 113 5.283 32.263 17.427 1.000 12.597 . 113 ASN AAA HB2 c 1 ATOM 1805 C CG . ASN AAA 1 113 CG . ASN 113 5.854 33.677 18.816 1.000 13.223 . 113 ASN AAA CG . 1 ATOM 1806 O OD1 . ASN AAA 1 113 OD1 . ASN 113 5.520 34.773 19.331 1.000 13.375 . 113 ASN AAA OD1 . 1 ATOM 1807 N ND2 . ASN AAA 1 113 ND2 . ASN 113 6.798 32.877 19.339 1.000 12.241 . 113 ASN AAA ND2 . 1 ATOM 1808 H HD21 . ASN AAA 1 113 HD21 . ASN 113 7.192 33.095 20.096 0.000 12.210 . 113 ASN AAA HD21 c 1 ATOM 1809 H HD22 . ASN AAA 1 113 HD22 . ASN 113 7.030 32.135 18.915 0.000 12.210 . 113 ASN AAA HD22 c 1 ATOM 1810 C C . ASN AAA 1 113 C . ASN 113 3.306 33.569 15.998 1.000 11.578 . 113 ASN AAA C . 1 ATOM 1811 O O . ASN AAA 1 113 O . ASN 113 3.658 34.492 15.227 1.000 11.818 . 113 ASN AAA O . 1 ATOM 1813 N N . ARG AAA 1 114 N . ARG 114 2.570 32.567 15.596 1.000 11.270 . 114 ARG AAA N . 1 ATOM 1814 H H . ARG AAA 1 114 H . ARG 114 2.270 31.902 16.140 1.000 11.687 . 114 ARG AAA H c 1 ATOM 1815 C CA . ARG AAA 1 114 CA . ARG 114 2.220 32.430 14.161 1.000 12.798 . 114 ARG AAA CA . 1 ATOM 1816 H HA . ARG AAA 1 114 HA . ARG 114 2.529 33.241 13.701 1.000 12.107 . 114 ARG AAA HA c 1 ATOM 1817 C CB . ARG AAA 1 114 CB . ARG 114 2.997 31.249 13.582 1.000 11.624 . 114 ARG AAA CB . 1 ATOM 1818 H HB3 . ARG AAA 1 114 HB3 . ARG 114 2.919 31.267 12.606 1.000 11.863 . 114 ARG AAA HB3 c 1 ATOM 1819 H HB2 . ARG AAA 1 114 HB2 . ARG 114 2.593 30.416 13.904 1.000 11.862 . 114 ARG AAA HB2 c 1 ATOM 1820 C CG . ARG AAA 1 114 CG . ARG 114 4.497 31.264 13.969 1.000 11.514 . 114 ARG AAA CG . 1 ATOM 1821 H HG3 . ARG AAA 1 114 HG3 . ARG 114 4.572 31.321 14.944 1.000 11.493 . 114 ARG AAA HG3 c 1 ATOM 1822 H HG2 . ARG AAA 1 114 HG2 . ARG 114 4.910 32.072 13.596 1.000 11.493 . 114 ARG AAA HG2 c 1 ATOM 1823 C CD . ARG AAA 1 114 CD . ARG 114 5.282 30.078 13.511 1.000 11.318 . 114 ARG AAA CD . 1 ATOM 1824 H HD3 . ARG AAA 1 114 HD3 . ARG 114 4.849 29.256 13.827 1.000 11.415 . 114 ARG AAA HD3 c 1 ATOM 1825 H HD2 . ARG AAA 1 114 HD2 . ARG 114 6.184 30.117 13.894 1.000 11.415 . 114 ARG AAA HD2 c 1 ATOM 1826 N NE . ARG AAA 1 114 NE . ARG 114 5.368 30.057 12.057 1.000 11.541 . 114 ARG AAA NE . 1 ATOM 1827 H HE . ARG AAA 1 114 HE . ARG 114 4.966 30.690 11.611 1.000 11.544 . 114 ARG AAA HE c 1 ATOM 1828 C CZ . ARG AAA 1 114 CZ . ARG 114 6.153 29.218 11.377 1.000 11.706 . 114 ARG AAA CZ . 1 ATOM 1829 N NH1 . ARG AAA 1 114 NH1 . ARG 114 6.771 28.258 12.037 1.000 11.002 . 114 ARG AAA NH1 . 1 ATOM 1830 H HH11 . ARG AAA 1 114 HH11 . ARG 114 6.735 28.226 12.913 1.000 11.270 . 114 ARG AAA HH11 c 1 ATOM 1831 H HH12 . ARG AAA 1 114 HH12 . ARG 114 7.270 27.682 11.599 1.000 11.269 . 114 ARG AAA HH12 c 1 ATOM 1832 N NH2 . ARG AAA 1 114 NH2 . ARG 114 6.196 29.266 10.048 1.000 12.703 . 114 ARG AAA NH2 . 1 ATOM 1833 H HH21 . ARG AAA 1 114 HH21 . ARG 114 5.754 29.893 9.616 1.000 12.300 . 114 ARG AAA HH21 c 1 ATOM 1834 H HH22 . ARG AAA 1 114 HH22 . ARG 114 6.683 28.682 9.603 1.000 12.300 . 114 ARG AAA HH22 c 1 ATOM 1835 C C . ARG AAA 1 114 C . ARG 114 0.728 32.296 13.888 1.000 11.969 . 114 ARG AAA C . 1 ATOM 1836 O O . ARG AAA 1 114 O . ARG 114 0.316 32.417 12.728 1.000 11.350 . 114 ARG AAA O . 1 ATOM 1838 N N . CYS AAA 1 115 N . CYS 115 -0.076 32.046 14.910 1.000 11.948 . 115 CYS AAA N . 1 ATOM 1839 H H . CYS AAA 1 115 H . CYS 115 0.187 31.947 15.774 1.000 11.661 . 115 CYS AAA H c 1 ATOM 1840 C CA . CYS AAA 1 115 CA . CYS 115 -1.545 31.871 14.712 1.000 10.736 . 115 CYS AAA CA . 1 ATOM 1841 H HA . CYS AAA 1 115 HA . CYS 115 -1.729 31.907 13.746 1.000 11.189 . 115 CYS AAA HA c 1 ATOM 1842 C CB . CYS AAA 1 115 CB . CYS 115 -1.977 30.499 15.225 1.000 10.335 . 115 CYS AAA CB . 1 ATOM 1843 H HB3 . CYS AAA 1 115 HB3 . CYS 115 -2.934 30.383 15.058 1.000 10.628 . 115 CYS AAA HB3 c 1 ATOM 1844 H HB2 . CYS AAA 1 115 HB2 . CYS 115 -1.835 30.464 16.191 1.000 10.626 . 115 CYS AAA HB2 c 1 ATOM 1845 S SG . CYS AAA 1 115 SG . CYS 115 -1.089 29.109 14.465 1.000 11.188 . 115 CYS AAA SG . 1 ATOM 1846 C C . CYS AAA 1 115 C . CYS 115 -2.384 32.944 15.398 1.000 12.440 . 115 CYS AAA C . 1 ATOM 1847 O O . CYS AAA 1 115 O . CYS 115 -3.341 33.479 14.810 1.000 11.655 . 115 CYS AAA O . 1 ATOM 1849 N N . LYS AAA 1 116 N . LYS 116 -2.026 33.287 16.609 1.000 12.604 . 116 LYS AAA N . 1 ATOM 1850 H H . LYS AAA 1 116 H . LYS 116 -1.299 32.936 17.029 1.000 12.676 . 116 LYS AAA H c 1 ATOM 1851 C CA . LYS AAA 1 116 CA . LYS 116 -2.772 34.269 17.416 1.000 13.120 . 116 LYS AAA CA . 1 ATOM 1852 H HA . LYS AAA 1 116 HA . LYS 116 -3.675 33.918 17.589 1.000 12.786 . 116 LYS AAA HA c 1 ATOM 1853 C CB . LYS AAA 1 116 CB . LYS 116 -2.036 34.454 18.747 1.000 12.797 . 116 LYS AAA CB . 1 ATOM 1854 H HB3 . LYS AAA 1 116 HB3 . LYS 116 -1.168 34.869 18.567 1.000 12.911 . 116 LYS AAA HB3 c 1 ATOM 1855 H HB2 . LYS AAA 1 116 HB2 . LYS 116 -1.873 33.571 19.139 1.000 12.911 . 116 LYS AAA HB2 c 1 ATOM 1856 C CG . LYS AAA 1 116 CG . LYS 116 -2.780 35.305 19.761 1.000 12.973 . 116 LYS AAA CG . 1 ATOM 1857 H HG3 . LYS AAA 1 116 HG3 . LYS 116 -3.661 34.914 19.940 1.000 12.931 . 116 LYS AAA HG3 c 1 ATOM 1858 H HG2 . LYS AAA 1 116 HG2 . LYS 116 -2.901 36.212 19.409 1.000 12.930 . 116 LYS AAA HG2 c 1 ATOM 1859 C CD . LYS AAA 1 116 CD . LYS 116 -1.959 35.349 21.041 1.000 12.974 . 116 LYS AAA CD . 1 ATOM 1860 H HD3 . LYS AAA 1 116 HD3 . LYS 116 -1.092 35.763 20.848 1.000 13.126 . 116 LYS AAA HD3 c 1 ATOM 1861 H HD2 . LYS AAA 1 116 HD2 . LYS 116 -1.792 34.432 21.344 1.000 13.123 . 116 LYS AAA HD2 c 1 ATOM 1862 C CE . LYS AAA 1 116 CE . LYS 116 -2.619 36.107 22.145 1.000 13.635 . 116 LYS AAA CE . 1 ATOM 1863 H HE3 . LYS AAA 1 116 HE3 . LYS 116 -3.472 35.688 22.361 1.000 13.594 . 116 LYS AAA HE3 c 1 ATOM 1864 H HE2 . LYS AAA 1 116 HE2 . LYS 116 -2.798 37.020 21.851 1.000 13.594 . 116 LYS AAA HE2 c 1 ATOM 1865 N NZ . LYS AAA 1 116 NZ . LYS 116 -1.780 36.153 23.377 1.000 14.147 . 116 LYS AAA NZ . 1 ATOM 1866 H HZ1 . LYS AAA 1 116 HZ1 . LYS 116 -1.620 35.310 23.671 1.000 13.988 . 116 LYS AAA HZ1 c 1 ATOM 1867 H HZ2 . LYS AAA 1 116 HZ2 . LYS 116 -2.211 36.618 24.025 1.000 13.988 . 116 LYS AAA HZ2 c 1 ATOM 1868 H HZ3 . LYS AAA 1 116 HZ3 . LYS 116 -0.989 36.559 23.195 1.000 13.988 . 116 LYS AAA HZ3 c 1 ATOM 1869 C C . LYS AAA 1 116 C . LYS 116 -2.881 35.594 16.649 1.000 12.223 . 116 LYS AAA C . 1 ATOM 1870 O O . LYS AAA 1 116 O . LYS 116 -1.850 36.080 16.139 1.000 11.911 . 116 LYS AAA O . 1 ATOM 1872 N N . GLY AAA 1 117 N . GLY 117 -4.078 36.173 16.576 1.000 12.753 . 117 GLY AAA N . 1 ATOM 1873 H H . GLY AAA 1 117 H . GLY 117 -4.835 35.797 16.916 1.000 12.564 . 117 GLY AAA H c 1 ATOM 1874 C CA . GLY AAA 1 117 CA . GLY 117 -4.257 37.482 15.929 1.000 12.486 . 117 GLY AAA CA . 1 ATOM 1875 H HA3 . GLY AAA 1 117 HA3 . GLY 117 -3.502 38.069 16.186 1.000 12.684 . 117 GLY AAA HA3 c 1 ATOM 1876 H HA2 . GLY AAA 1 117 HA2 . GLY 117 -5.085 37.896 16.273 1.000 12.667 . 117 GLY AAA HA2 c 1 ATOM 1877 C C . GLY AAA 1 117 C . GLY 117 -4.334 37.412 14.402 1.000 13.044 . 117 GLY AAA C . 1 ATOM 1878 O O . GLY AAA 1 117 O . GLY 117 -4.279 38.456 13.753 1.000 13.432 . 117 GLY AAA O . 1 ATOM 1880 N N . THR AAA 1 118 N . THR 118 -4.439 36.217 13.832 1.000 13.354 . 118 THR AAA N . 1 ATOM 1881 H H . THR AAA 1 118 H . THR 118 -4.467 35.423 14.275 1.000 13.249 . 118 THR AAA H c 1 ATOM 1882 C CA . THR AAA 1 118 CA . THR 118 -4.536 36.084 12.381 1.000 13.234 . 118 THR AAA CA . 1 ATOM 1883 H HA . THR AAA 1 118 HA . THR 118 -4.481 36.983 11.984 1.000 13.436 . 118 THR AAA HA c 1 ATOM 1884 C CB . THR AAA 1 118 CB . THR 118 -3.383 35.236 11.820 1.000 13.671 . 118 THR AAA CB . 1 ATOM 1885 H HB . THR AAA 1 118 HB . THR 118 -3.352 35.366 10.842 1.000 13.676 . 118 THR AAA HB c 1 ATOM 1886 O OG1 . THR AAA 1 118 OG1 . THR 118 -3.607 33.858 12.090 1.000 12.854 . 118 THR AAA OG1 . 1 ATOM 1887 H HG1 . THR AAA 1 118 HG1 . THR 118 -2.965 33.400 11.779 0.000 12.880 . 118 THR AAA HG1 c 1 ATOM 1888 C CG2 . THR AAA 1 118 CG2 . THR 118 -2.036 35.618 12.403 1.000 15.037 . 118 THR AAA CG2 . 1 ATOM 1889 H HG21 . THR AAA 1 118 HG21 . THR 118 -1.871 36.566 12.247 1.000 14.602 . 118 THR AAA HG21 c 1 ATOM 1890 H HG22 . THR AAA 1 118 HG22 . THR 118 -1.336 35.094 11.975 1.000 14.602 . 118 THR AAA HG22 c 1 ATOM 1891 H HG23 . THR AAA 1 118 HG23 . THR 118 -2.032 35.442 13.361 1.000 14.600 . 118 THR AAA HG23 c 1 ATOM 1892 C C . THR AAA 1 118 C . THR 118 -5.859 35.460 11.969 1.000 13.749 . 118 THR AAA C . 1 ATOM 1893 O O . THR AAA 1 118 O . THR 118 -6.663 35.093 12.818 1.000 13.296 . 118 THR AAA O . 1 ATOM 1895 N N . ASP AAA 1 119 N . ASP 119 -6.060 35.429 10.653 1.000 14.224 . 119 ASP AAA N . 1 ATOM 1896 H H . ASP AAA 1 119 H . ASP 119 -5.481 35.796 10.052 1.000 14.043 . 119 ASP AAA H c 1 ATOM 1897 C CA . ASP AAA 1 119 CA . ASP 119 -7.244 34.811 10.050 1.000 13.939 . 119 ASP AAA CA . 1 ATOM 1898 H HA . ASP AAA 1 119 HA . ASP 119 -8.054 35.070 10.550 1.000 14.143 . 119 ASP AAA HA c 1 ATOM 1899 C CB . ASP AAA 1 119 CB . ASP 119 -7.366 35.208 8.579 1.000 14.792 . 119 ASP AAA CB . 1 ATOM 1900 H HB3 . ASP AAA 1 119 HB3 . ASP 119 -6.544 34.969 8.104 1.000 14.658 . 119 ASP AAA HB3 c 1 ATOM 1901 H HB2 . ASP AAA 1 119 HB2 . ASP 119 -7.489 36.177 8.515 1.000 14.659 . 119 ASP AAA HB2 c 1 ATOM 1902 C CG . ASP AAA 1 119 CG . ASP 119 -8.542 34.522 7.903 1.000 15.108 . 119 ASP AAA CG . 1 ATOM 1903 O OD1 . ASP AAA 1 119 OD1 . ASP 119 -9.056 33.524 8.459 1.000 15.932 . 119 ASP AAA OD1 . 1 ATOM 1904 O OD2 . ASP AAA 1 119 OD2 . ASP 119 -8.942 34.982 6.812 1.000 16.471 . 119 ASP AAA OD2 . 1 ATOM 1905 C C . ASP AAA 1 119 C . ASP 119 -7.010 33.310 10.157 1.000 13.901 . 119 ASP AAA C . 1 ATOM 1906 O O . ASP AAA 1 119 O . ASP 119 -6.380 32.724 9.269 1.000 14.647 . 119 ASP AAA O . 1 ATOM 1908 N N . VAL AAA 1 120 N . VAL 120 -7.451 32.698 11.254 1.000 15.134 . 120 VAL AAA N . 1 ATOM 1909 H H . VAL AAA 1 120 H . VAL 120 -7.883 33.136 11.922 1.000 14.496 . 120 VAL AAA H c 1 ATOM 1910 C CA . VAL AAA 1 120 CA . VAL 120 -7.271 31.230 11.486 1.000 13.755 . 120 VAL AAA CA . 1 ATOM 1911 H HA . VAL AAA 1 120 HA . VAL 120 -6.388 30.992 11.160 1.000 13.924 . 120 VAL AAA HA c 1 ATOM 1912 C CB . VAL AAA 1 120 CB . VAL 120 -7.317 30.891 12.991 1.000 13.237 . 120 VAL AAA CB . 1 ATOM 1913 H HB . VAL AAA 1 120 HB . VAL 120 -7.281 29.908 13.092 1.000 13.535 . 120 VAL AAA HB c 1 ATOM 1914 C CG1 . VAL AAA 1 120 CG1 . VAL 120 -6.116 31.498 13.695 1.000 13.397 . 120 VAL AAA CG1 . 1 ATOM 1915 H HG11 . VAL AAA 1 120 HG11 . VAL 120 -5.297 31.150 13.300 1.000 13.347 . 120 VAL AAA HG11 c 1 ATOM 1916 H HG12 . VAL AAA 1 120 HG12 . VAL 120 -6.142 31.268 14.640 1.000 13.342 . 120 VAL AAA HG12 c 1 ATOM 1917 H HG13 . VAL AAA 1 120 HG13 . VAL 120 -6.136 32.466 13.597 1.000 13.349 . 120 VAL AAA HG13 c 1 ATOM 1918 C CG2 . VAL AAA 1 120 CG2 . VAL 120 -8.586 31.404 13.642 1.000 14.185 . 120 VAL AAA CG2 . 1 ATOM 1919 H HG21 . VAL AAA 1 120 HG21 . VAL 120 -8.586 32.376 13.641 1.000 13.891 . 120 VAL AAA HG21 c 1 ATOM 1920 H HG22 . VAL AAA 1 120 HG22 . VAL 120 -8.630 31.084 14.561 1.000 13.888 . 120 VAL AAA HG22 c 1 ATOM 1921 H HG23 . VAL AAA 1 120 HG23 . VAL 120 -9.360 31.079 13.151 1.000 13.888 . 120 VAL AAA HG23 c 1 ATOM 1922 C C . VAL AAA 1 120 C . VAL 120 -8.287 30.404 10.707 1.000 13.838 . 120 VAL AAA C . 1 ATOM 1923 O O . VAL AAA 1 120 O . VAL 120 -8.043 29.237 10.464 1.000 13.354 . 120 VAL AAA O . 1 ATOM 1925 N N . GLN AAA 1 121 N . GLN 121 -9.412 30.986 10.347 1.000 14.174 . 121 GLN AAA N . 1 ATOM 1926 H H . GLN AAA 1 121 H . GLN 121 -9.605 31.855 10.535 1.000 14.142 . 121 GLN AAA H c 1 ATOM 1927 C CA . GLN AAA 1 121 CA . GLN 121 -10.465 30.280 9.615 1.000 14.360 . 121 GLN AAA CA . 1 ATOM 1928 H HA . GLN AAA 1 121 HA . GLN 121 -10.739 29.492 10.136 1.000 14.326 . 121 GLN AAA HA c 1 ATOM 1929 C CB . GLN AAA 1 121 CB . GLN 121 -11.675 31.165 9.374 1.000 14.932 . 121 GLN AAA CB . 1 ATOM 1930 H HB3 . GLN AAA 1 121 HB3 . GLN 121 -11.428 31.870 8.740 1.000 14.657 . 121 GLN AAA HB3 c 1 ATOM 1931 H HB2 . GLN AAA 1 121 HB2 . GLN 121 -11.921 31.594 10.220 1.000 14.658 . 121 GLN AAA HB2 c 1 ATOM 1932 C CG . GLN AAA 1 121 CG . GLN 121 -12.895 30.387 8.829 1.000 14.359 . 121 GLN AAA CG . 1 ATOM 1933 H HG3 . GLN AAA 1 121 HG3 . GLN 121 -13.714 30.870 9.068 1.000 14.517 . 121 GLN AAA HG3 c 1 ATOM 1934 H HG2 . GLN AAA 1 121 HG2 . GLN 121 -12.932 29.507 9.261 1.000 14.517 . 121 GLN AAA HG2 c 1 ATOM 1935 C CD . GLN AAA 1 121 CD . GLN 121 -12.864 30.192 7.319 1.000 14.468 . 121 GLN AAA CD . 1 ATOM 1936 O OE1 . GLN AAA 1 121 OE1 . GLN 121 -12.170 30.954 6.614 1.000 14.527 . 121 GLN AAA OE1 . 1 ATOM 1937 N NE2 . GLN AAA 1 121 NE2 . GLN 121 -13.598 29.204 6.825 1.000 15.640 . 121 GLN AAA NE2 . 1 ATOM 1938 H HE21 . GLN AAA 1 121 HE21 . GLN 121 -13.612 29.051 5.952 0.000 15.580 . 121 GLN AAA HE21 c 1 ATOM 1939 H HE22 . GLN AAA 1 121 HE22 . GLN 121 -14.078 28.690 7.364 0.000 15.580 . 121 GLN AAA HE22 c 1 ATOM 1940 C C . GLN AAA 1 121 C . GLN 121 -9.870 29.811 8.278 1.000 13.810 . 121 GLN AAA C . 1 ATOM 1941 O O . GLN AAA 1 121 O . GLN 121 -10.316 28.835 7.715 1.000 13.168 . 121 GLN AAA O . 1 ATOM 1943 N N . ALA AAA 1 122 N . ALA 122 -8.898 30.550 7.768 1.000 14.109 . 122 ALA AAA N . 1 ATOM 1944 H H . ALA AAA 1 122 H . ALA 122 -8.588 31.326 8.128 1.000 13.862 . 122 ALA AAA H c 1 ATOM 1945 C CA . ALA AAA 1 122 CA . ALA 122 -8.239 30.191 6.497 1.000 13.381 . 122 ALA AAA CA . 1 ATOM 1946 H HA . ALA AAA 1 122 HA . ALA 122 -8.899 30.256 5.769 1.000 13.567 . 122 ALA AAA HA c 1 ATOM 1947 C CB . ALA AAA 1 122 CB . ALA 122 -7.117 31.155 6.232 1.000 13.274 . 122 ALA AAA CB . 1 ATOM 1948 H HB3 . ALA AAA 1 122 HB3 . ALA 122 -6.476 31.116 6.962 1.000 13.307 . 122 ALA AAA HB3 c 1 ATOM 1949 H HB2 . ALA AAA 1 122 HB2 . ALA 122 -7.472 32.057 6.162 1.000 13.308 . 122 ALA AAA HB2 c 1 ATOM 1950 H HB1 . ALA AAA 1 122 HB1 . ALA 122 -6.673 30.917 5.400 1.000 13.307 . 122 ALA AAA HB1 c 1 ATOM 1951 C C . ALA AAA 1 122 C . ALA 122 -7.704 28.758 6.548 1.000 13.633 . 122 ALA AAA C . 1 ATOM 1952 O O . ALA AAA 1 122 O . ALA 122 -7.623 28.097 5.516 1.000 13.949 . 122 ALA AAA O . 1 ATOM 1954 N N . TRP AAA 1 123 N . TRP 123 -7.339 28.247 7.735 1.000 13.174 . 123 TRP AAA N . 1 ATOM 1955 H H . TRP AAA 1 123 H . TRP 123 -7.411 28.701 8.521 1.000 13.594 . 123 TRP AAA H c 1 ATOM 1956 C CA . TRP AAA 1 123 CA . TRP 123 -6.756 26.895 7.876 1.000 14.509 . 123 TRP AAA CA . 1 ATOM 1957 H HA . TRP AAA 1 123 HA . TRP 123 -6.042 26.807 7.201 1.000 14.355 . 123 TRP AAA HA c 1 ATOM 1958 C CB . TRP AAA 1 123 CB . TRP 123 -6.105 26.764 9.259 1.000 14.232 . 123 TRP AAA CB . 1 ATOM 1959 H HB3 . TRP AAA 1 123 HB3 . TRP 123 -5.849 25.830 9.400 1.000 14.333 . 123 TRP AAA HB3 c 1 ATOM 1960 H HB2 . TRP AAA 1 123 HB2 . TRP 123 -6.761 27.009 9.943 1.000 14.328 . 123 TRP AAA HB2 c 1 ATOM 1961 C CG . TRP AAA 1 123 CG . TRP 123 -4.897 27.639 9.385 1.000 14.380 . 123 TRP AAA CG . 1 ATOM 1962 C CD1 . TRP AAA 1 123 CD1 . TRP 123 -4.851 28.933 9.799 1.000 14.530 . 123 TRP AAA CD1 . 1 ATOM 1963 H HD1 . TRP AAA 1 123 HD1 . TRP 123 -5.588 29.430 10.102 1.000 14.658 . 123 TRP AAA HD1 c 1 ATOM 1964 N NE1 . TRP AAA 1 123 NE1 . TRP 123 -3.594 29.413 9.703 1.000 14.926 . 123 TRP AAA NE1 . 1 ATOM 1965 H HE1 . TRP AAA 1 123 HE1 . TRP 123 -3.346 30.213 9.936 1.000 14.664 . 123 TRP AAA HE1 c 1 ATOM 1966 C CE2 . TRP AAA 1 123 CE2 . TRP 123 -2.766 28.441 9.212 1.000 13.813 . 123 TRP AAA CE2 . 1 ATOM 1967 C CD2 . TRP AAA 1 123 CD2 . TRP 123 -3.561 27.310 8.980 1.000 14.881 . 123 TRP AAA CD2 . 1 ATOM 1968 C CE3 . TRP AAA 1 123 CE3 . TRP 123 -2.950 26.140 8.493 1.000 14.035 . 123 TRP AAA CE3 . 1 ATOM 1969 H HE3 . TRP AAA 1 123 HE3 . TRP 123 -3.467 25.373 8.304 1.000 14.861 . 123 TRP AAA HE3 c 1 ATOM 1970 C CZ3 . TRP AAA 1 123 CZ3 . TRP 123 -1.592 26.168 8.202 1.000 16.711 . 123 TRP AAA CZ3 . 1 ATOM 1971 H HZ3 . TRP AAA 1 123 HZ3 . TRP 123 -1.174 25.394 7.863 1.000 15.856 . 123 TRP AAA HZ3 c 1 ATOM 1972 C CH2 . TRP AAA 1 123 CH2 . TRP 123 -0.822 27.316 8.458 1.000 16.534 . 123 TRP AAA CH2 . 1 ATOM 1973 H HH2 . TRP AAA 1 123 HH2 . TRP 123 0.100 27.307 8.270 1.000 16.294 . 123 TRP AAA HH2 c 1 ATOM 1974 C CZ2 . TRP AAA 1 123 CZ2 . TRP 123 -1.394 28.464 8.945 1.000 16.321 . 123 TRP AAA CZ2 . 1 ATOM 1975 H HZ2 . TRP AAA 1 123 HZ2 . TRP 123 -0.878 29.232 9.119 1.000 15.651 . 123 TRP AAA HZ2 c 1 ATOM 1976 C C . TRP AAA 1 123 C . TRP 123 -7.797 25.784 7.628 1.000 15.415 . 123 TRP AAA C . 1 ATOM 1977 O O . TRP AAA 1 123 O . TRP 123 -7.407 24.624 7.411 1.000 16.018 . 123 TRP AAA O . 1 ATOM 1979 N N . ILE AAA 1 124 N . ILE 124 -9.093 26.089 7.726 1.000 15.983 . 124 ILE AAA N . 1 ATOM 1980 H H . ILE AAA 1 124 H . ILE 124 -9.411 26.910 7.952 1.000 15.862 . 124 ILE AAA H c 1 ATOM 1981 C CA . ILE AAA 1 124 CA . ILE 124 -10.129 25.054 7.478 1.000 16.044 . 124 ILE AAA CA . 1 ATOM 1982 H HA . ILE AAA 1 124 HA . ILE 124 -9.682 24.200 7.346 1.000 16.160 . 124 ILE AAA HA c 1 ATOM 1983 C CB . ILE AAA 1 124 CB . ILE 124 -11.064 24.910 8.676 1.000 16.094 . 124 ILE AAA CB . 1 ATOM 1984 H HB . ILE AAA 1 124 HB . ILE 124 -11.744 24.234 8.436 1.000 16.386 . 124 ILE AAA HB c 1 ATOM 1985 C CG1 . ILE AAA 1 124 CG1 . ILE 124 -11.806 26.210 8.966 1.000 16.547 . 124 ILE AAA CG1 . 1 ATOM 1986 H HG12 . ILE AAA 1 124 HG12 . ILE 124 -12.184 26.555 8.130 1.000 16.493 . 124 ILE AAA HG12 c 1 ATOM 1987 H HG13 . ILE AAA 1 124 HG13 . ILE 124 -11.165 26.871 9.303 1.000 16.485 . 124 ILE AAA HG13 c 1 ATOM 1988 C CG2 . ILE AAA 1 124 CG2 . ILE 124 -10.297 24.375 9.887 1.000 17.260 . 124 ILE AAA CG2 . 1 ATOM 1989 H HG21 . ILE AAA 1 124 HG21 . ILE 124 -9.862 23.536 9.652 1.000 16.892 . 124 ILE AAA HG21 c 1 ATOM 1990 H HG22 . ILE AAA 1 124 HG22 . ILE 124 -10.912 24.222 10.624 1.000 16.892 . 124 ILE AAA HG22 c 1 ATOM 1991 C CD1 . ILE AAA 1 124 CD1 . ILE 124 -12.900 26.063 9.959 1.000 16.784 . 124 ILE AAA CD1 . 1 ATOM 1992 H HD11 . ILE AAA 1 124 HD11 . ILE 124 -13.522 25.377 9.659 1.000 16.711 . 124 ILE AAA HD11 c 1 ATOM 1993 H HD12 . ILE AAA 1 124 HD12 . ILE 124 -13.373 26.909 10.048 1.000 16.711 . 124 ILE AAA HD12 c 1 ATOM 1994 H HD13 . ILE AAA 1 124 HD13 . ILE 124 -12.529 25.809 10.821 1.000 16.712 . 124 ILE AAA HD13 c 1 ATOM 1995 H HG23 . ILE AAA 1 124 HG23 . ILE 124 -9.622 25.022 10.159 1.000 16.891 . 124 ILE AAA HG23 c 1 ATOM 1996 C C . ILE AAA 1 124 C . ILE 124 -10.898 25.384 6.205 1.000 16.682 . 124 ILE AAA C . 1 ATOM 1997 O O . ILE AAA 1 124 O . ILE 124 -11.838 24.667 5.886 1.000 15.818 . 124 ILE AAA O . 1 ATOM 1999 N N . ARG AAA 1 125 N . ARG 125 -10.516 26.447 5.525 1.000 17.628 . 125 ARG AAA N . 1 ATOM 2000 H H . ARG AAA 1 125 H . ARG 125 -9.796 26.948 5.761 1.000 17.533 . 125 ARG AAA H c 1 ATOM 2001 C CA . ARG AAA 1 125 CA . ARG 125 -11.190 26.923 4.300 1.000 18.271 . 125 ARG AAA CA . 1 ATOM 2002 H HA . ARG AAA 1 125 HA . ARG 125 -12.131 27.111 4.522 1.000 18.030 . 125 ARG AAA HA c 1 ATOM 2003 C CB . ARG AAA 1 125 CB . ARG 125 -10.539 28.211 3.811 1.000 19.086 . 125 ARG AAA CB . 1 ATOM 2004 H HB3 . ARG AAA 1 125 HB3 . ARG 125 -9.665 27.990 3.426 1.000 18.751 . 125 ARG AAA HB3 c 1 ATOM 2005 H HB2 . ARG AAA 1 125 HB2 . ARG 125 -10.387 28.793 4.584 1.000 18.755 . 125 ARG AAA HB2 c 1 ATOM 2006 C CG . ARG AAA 1 125 CG . ARG 125 -11.353 28.974 2.771 1.000 18.506 . 125 ARG AAA CG . 1 ATOM 2007 H HG3 . ARG AAA 1 125 HG3 . ARG 125 -12.288 29.036 3.062 1.000 19.148 . 125 ARG AAA HG3 c 1 ATOM 2008 H HG2 . ARG AAA 1 125 HG2 . ARG 125 -11.326 28.496 1.914 1.000 19.143 . 125 ARG AAA HG2 c 1 ATOM 2009 C CD . ARG AAA 1 125 CD . ARG 125 -10.786 30.368 2.588 1.000 20.713 . 125 ARG AAA CD . 1 ATOM 2010 H HD3 . ARG AAA 1 125 HD3 . ARG 125 -11.290 30.846 1.896 1.000 20.620 . 125 ARG AAA HD3 c 1 ATOM 2011 H HD2 . ARG AAA 1 125 HD2 . ARG 125 -9.848 30.310 2.309 1.000 20.626 . 125 ARG AAA HD2 c 1 ATOM 2012 N NE . ARG AAA 1 125 NE . ARG 125 -10.888 31.080 3.859 1.000 22.738 . 125 ARG AAA NE . 1 ATOM 2013 H HE . ARG AAA 1 125 HE . ARG 125 -11.530 30.841 4.399 1.000 22.406 . 125 ARG AAA HE c 1 ATOM 2014 C CZ . ARG AAA 1 125 CZ . ARG 125 -10.153 32.130 4.220 1.000 23.513 . 125 ARG AAA CZ . 1 ATOM 2015 N NH1 . ARG AAA 1 125 NH1 . ARG 125 -9.141 32.550 3.483 1.000 22.171 . 125 ARG AAA NH1 . 1 ATOM 2016 H HH11 . ARG AAA 1 125 HH11 . ARG 125 -8.990 32.196 2.695 1.000 22.565 . 125 ARG AAA HH11 c 1 ATOM 2017 H HH12 . ARG AAA 1 125 HH12 . ARG 125 -8.656 33.231 3.756 1.000 22.570 . 125 ARG AAA HH12 c 1 ATOM 2018 N NH2 . ARG AAA 1 125 NH2 . ARG 125 -10.338 32.676 5.406 1.000 23.135 . 125 ARG AAA NH2 . 1 ATOM 2019 H HH21 . ARG AAA 1 125 HH21 . ARG 125 -10.988 32.389 5.925 1.000 23.161 . 125 ARG AAA HH21 c 1 ATOM 2020 H HH22 . ARG AAA 1 125 HH22 . ARG 125 -9.833 33.350 5.663 1.000 23.145 . 125 ARG AAA HH22 c 1 ATOM 2021 C C . ARG AAA 1 125 C . ARG 125 -11.147 25.800 3.264 1.000 16.929 . 125 ARG AAA C . 1 ATOM 2022 O O . ARG AAA 1 125 O . ARG 125 -10.110 25.174 3.049 1.000 17.374 . 125 ARG AAA O . 1 ATOM 2024 N N . GLY AAA 1 126 N . GLY 126 -12.261 25.583 2.599 1.000 17.246 . 126 GLY AAA N . 1 ATOM 2025 H H . GLY AAA 1 126 H . GLY 126 -13.032 26.040 2.768 1.000 17.238 . 126 GLY AAA H c 1 ATOM 2026 C CA . GLY AAA 1 126 CA . GLY 126 -12.364 24.589 1.523 1.000 17.516 . 126 GLY AAA CA . 1 ATOM 2027 H HA3 . GLY AAA 1 126 HA3 . GLY 126 -11.506 24.561 1.030 1.000 17.597 . 126 GLY AAA HA3 c 1 ATOM 2028 H HA2 . GLY AAA 1 126 HA2 . GLY 126 -13.062 24.883 0.889 1.000 17.599 . 126 GLY AAA HA2 c 1 ATOM 2029 C C . GLY AAA 1 126 C . GLY 126 -12.696 23.208 2.007 1.000 18.153 . 126 GLY AAA C . 1 ATOM 2030 O O . GLY AAA 1 126 O . GLY 126 -13.063 22.367 1.166 1.000 19.760 . 126 GLY AAA O . 1 ATOM 2032 N N . CYS AAA 1 127 N . CYS 127 -12.580 22.940 3.309 1.000 19.455 . 127 CYS AAA N . 1 ATOM 2033 H H . CYS AAA 1 127 H . CYS 127 -12.364 23.558 3.940 1.000 19.184 . 127 CYS AAA H c 1 ATOM 2034 C CA . CYS AAA 1 127 CA . CYS 127 -12.808 21.596 3.887 1.000 19.684 . 127 CYS AAA CA . 1 ATOM 2035 H HA . CYS AAA 1 127 HA . CYS 127 -12.412 20.928 3.282 1.000 19.660 . 127 CYS AAA HA c 1 ATOM 2036 C CB . CYS AAA 1 127 CB . CYS 127 -12.133 21.488 5.250 1.000 19.543 . 127 CYS AAA CB . 1 ATOM 2037 H HB3 . CYS AAA 1 127 HB3 . CYS 127 -12.292 20.590 5.607 1.000 19.260 . 127 CYS AAA HB3 c 1 ATOM 2038 H HB2 . CYS AAA 1 127 HB2 . CYS 127 -12.555 22.126 5.861 1.000 19.245 . 127 CYS AAA HB2 c 1 ATOM 2039 S SG . CYS AAA 1 127 SG . CYS 127 -10.333 21.790 5.269 1.000 18.200 . 127 CYS AAA SG . 1 ATOM 2040 C C . CYS AAA 1 127 C . CYS 127 -14.320 21.328 4.005 1.000 19.964 . 127 CYS AAA C . 1 ATOM 2041 O O . CYS AAA 1 127 O . CYS 127 -15.078 22.255 4.322 1.000 20.501 . 127 CYS AAA O . 1 ATOM 2043 N N . ARG AAA 1 128 N . ARG 128 -14.723 20.085 3.829 1.000 20.134 . 128 ARG AAA N . 1 ATOM 2044 H H . ARG AAA 1 128 H . ARG 128 -14.154 19.418 3.582 1.000 20.266 . 128 ARG AAA H c 1 ATOM 2045 C CA . ARG AAA 1 128 CA . ARG 128 -16.119 19.632 4.010 1.000 20.888 . 128 ARG AAA CA . 1 ATOM 2046 H HA . ARG AAA 1 128 HA . ARG 128 -16.729 20.397 3.900 1.000 20.663 . 128 ARG AAA HA c 1 ATOM 2047 C CB . ARG AAA 1 128 CB . ARG 128 -16.519 18.508 3.046 1.000 20.469 . 128 ARG AAA CB . 1 ATOM 2048 H HB3 . ARG AAA 1 128 HB3 . ARG 128 -17.329 18.080 3.394 1.000 20.246 . 128 ARG AAA HB3 c 1 ATOM 2049 H HB2 . ARG AAA 1 128 HB2 . ARG 128 -15.806 17.836 3.049 1.000 20.243 . 128 ARG AAA HB2 c 1 ATOM 2050 C CG . ARG AAA 1 128 CG . ARG 128 -16.777 18.923 1.618 1.000 19.119 . 128 ARG AAA CG . 1 ATOM 2051 H HG3 . ARG AAA 1 128 HG3 . ARG 128 -16.007 19.426 1.277 1.000 19.568 . 128 ARG AAA HG3 c 1 ATOM 2052 H HG2 . ARG AAA 1 128 HG2 . ARG 128 -17.569 19.500 1.578 1.000 19.566 . 128 ARG AAA HG2 c 1 ATOM 2053 C CD . ARG AAA 1 128 CD . ARG 128 -17.000 17.697 0.755 1.000 19.710 . 128 ARG AAA CD . 1 ATOM 2054 H HD3 . ARG AAA 1 128 HD3 . ARG 128 -16.412 16.974 1.060 1.000 19.537 . 128 ARG AAA HD3 c 1 ATOM 2055 H HD2 . ARG AAA 1 128 HD2 . ARG 128 -16.761 17.903 -0.172 1.000 19.531 . 128 ARG AAA HD2 c 1 ATOM 2056 N NE . ARG AAA 1 128 NE . ARG 128 -18.403 17.239 0.816 1.000 19.558 . 128 ARG AAA NE . 1 ATOM 2057 H HE . ARG AAA 1 128 HE . ARG 128 -18.579 16.545 1.313 1.000 19.221 . 128 ARG AAA HE c 1 ATOM 2058 C CZ . ARG AAA 1 128 CZ . ARG 128 -19.424 17.792 0.155 1.000 18.186 . 128 ARG AAA CZ . 1 ATOM 2059 N NH1 . ARG AAA 1 128 NH1 . ARG 128 -19.185 18.836 -0.633 1.000 18.857 . 128 ARG AAA NH1 . 1 ATOM 2060 H HH11 . ARG AAA 1 128 HH11 . ARG 128 -18.376 19.166 -0.702 1.000 18.678 . 128 ARG AAA HH11 c 1 ATOM 2061 H HH12 . ARG AAA 1 128 HH12 . ARG 128 -19.848 19.207 -1.075 1.000 18.675 . 128 ARG AAA HH12 c 1 ATOM 2062 N NH2 . ARG AAA 1 128 NH2 . ARG 128 -20.660 17.273 0.250 1.000 18.527 . 128 ARG AAA NH2 . 1 ATOM 2063 H HH21 . ARG AAA 1 128 HH21 . ARG 128 -20.805 16.581 0.765 1.000 18.474 . 128 ARG AAA HH21 c 1 ATOM 2064 H HH22 . ARG AAA 1 128 HH22 . ARG 128 -21.327 17.645 -0.190 1.000 18.474 . 128 ARG AAA HH22 c 1 ATOM 2065 C C . ARG AAA 1 128 C . ARG 128 -16.168 19.144 5.446 1.000 20.886 . 128 ARG AAA C . 1 ATOM 2066 O O . ARG AAA 1 128 O . ARG 128 -15.891 17.963 5.679 1.000 23.413 . 128 ARG AAA O . 1 ATOM 2068 N N . LEU AAA 1 129 N . LEU 129 -16.457 20.025 6.371 1.000 21.765 . 129 LEU AAA N . 1 ATOM 2069 H H . LEU AAA 1 129 H . LEU 129 -16.659 20.895 6.191 1.000 21.827 . 129 LEU AAA H c 1 ATOM 2070 C CA . LEU AAA 1 129 CA . LEU 129 -16.477 19.672 7.798 1.000 22.981 . 129 LEU AAA CA . 1 ATOM 2071 H HA . LEU AAA 1 129 HA . LEU 129 -16.159 18.746 7.900 1.000 23.058 . 129 LEU AAA HA c 1 ATOM 2072 C CB . LEU AAA 1 129 CB . LEU 129 -15.545 20.615 8.550 1.000 24.539 . 129 LEU AAA CB . 1 ATOM 2073 H HB3 . LEU AAA 1 129 HB3 . LEU 129 -15.615 20.424 9.507 1.000 23.989 . 129 LEU AAA HB3 c 1 ATOM 2074 H HB2 . LEU AAA 1 129 HB2 . LEU 129 -15.852 21.533 8.406 1.000 23.991 . 129 LEU AAA HB2 c 1 ATOM 2075 C CG . LEU AAA 1 129 CG . LEU 129 -14.084 20.519 8.140 1.000 23.804 . 129 LEU AAA CG . 1 ATOM 2076 H HG . LEU AAA 1 129 HG . LEU 129 -14.024 20.642 7.162 1.000 24.097 . 129 LEU AAA HG c 1 ATOM 2077 C CD1 . LEU AAA 1 129 CD1 . LEU 129 -13.334 21.622 8.799 1.000 24.064 . 129 LEU AAA CD1 . 1 ATOM 2078 H HD11 . LEU AAA 1 129 HD11 . LEU 129 -13.685 22.479 8.499 1.000 23.957 . 129 LEU AAA HD11 c 1 ATOM 2079 H HD12 . LEU AAA 1 129 HD12 . LEU 129 -12.391 21.559 8.567 1.000 23.957 . 129 LEU AAA HD12 c 1 ATOM 2080 H HD13 . LEU AAA 1 129 HD13 . LEU 129 -13.436 21.551 9.763 1.000 23.874 . 129 LEU AAA HD13 c 1 ATOM 2081 C CD2 . LEU AAA 1 129 CD2 . LEU 129 -13.464 19.166 8.498 1.000 24.493 . 129 LEU AAA CD2 . 1 ATOM 2082 H HD21 . LEU AAA 1 129 HD21 . LEU 129 -13.563 19.006 9.453 1.000 24.233 . 129 LEU AAA HD21 c 1 ATOM 2083 H HD22 . LEU AAA 1 129 HD22 . LEU 129 -12.519 19.171 8.267 1.000 24.267 . 129 LEU AAA HD22 c 1 ATOM 2084 H HD23 . LEU AAA 1 129 HD23 . LEU 129 -13.914 18.460 8.003 1.000 24.263 . 129 LEU AAA HD23 c 1 ATOM 2085 C C . LEU AAA 1 129 C . LEU 129 -17.892 19.761 8.342 1.000 23.115 . 129 LEU AAA C . 1 ATOM 2086 O O . LEU AAA 1 129 O . LEU 129 -18.253 18.762 9.016 1.000 23.176 . 129 LEU AAA O . 1 ATOM 2087 O OXT . LEU AAA 1 129 OXT . LEU 129 -18.585 20.804 8.134 1.000 23.719 . 129 LEU AAA OXT . 1 HETATM 2088 N N1 . DO3 AaA 2 . N1 . DO3 284 2.461 24.945 34.479 0.810 19.108 . 284 DO3 AaA N1 . 1 HETATM 2089 N N2 . DO3 AaA 2 . N2 . DO3 284 3.665 25.188 37.029 0.810 17.432 . 284 DO3 AaA N2 . 1 HETATM 2090 N N3 . DO3 AaA 2 . N3 . DO3 284 2.670 22.549 37.886 0.810 18.368 . 284 DO3 AaA N3 . 1 HETATM 2091 N N4 . DO3 AaA 2 . N4 . DO3 284 1.297 22.357 35.326 0.810 19.587 . 284 DO3 AaA N4 . 1 HETATM 2092 O O1 . DO3 AaA 2 . O1 . DO3 284 0.627 26.566 35.958 0.810 22.404 . 284 DO3 AaA O1 . 1 HETATM 2093 O O3 . DO3 AaA 2 . O3 . DO3 284 1.541 25.854 38.619 0.810 15.163 . 284 DO3 AaA O3 . 1 HETATM 2094 O O5 . DO3 AaA 2 . O5 . DO3 284 -0.035 22.929 38.528 0.810 19.393 . 284 DO3 AaA O5 . 1 HETATM 2095 O O7 . DO3 AaA 2 . O7 . DO3 284 -0.815 24.049 35.664 0.810 17.570 . 284 DO3 AaA O7 . 1 HETATM 2096 C C1 . DO3 AaA 2 . C1 . DO3 284 3.744 25.638 34.575 0.810 18.793 . 284 DO3 AaA C1 . 1 HETATM 2097 C C2 . DO3 AaA 2 . C2 . DO3 284 4.486 25.275 35.788 0.810 18.091 . 284 DO3 AaA C2 . 1 HETATM 2098 C C3 . DO3 AaA 2 . C3 . DO3 284 4.406 24.314 37.935 0.810 18.564 . 284 DO3 AaA C3 . 1 HETATM 2099 C C4 . DO3 AaA 2 . C4 . DO3 284 4.096 22.864 37.866 0.810 18.548 . 284 DO3 AaA C4 . 1 HETATM 2100 C C5 . DO3 AaA 2 . C5 . DO3 284 2.429 21.272 37.198 0.810 19.953 . 284 DO3 AaA C5 . 1 HETATM 2101 C C6 . DO3 AaA 2 . C6 . DO3 284 2.180 21.307 35.740 0.810 20.157 . 284 DO3 AaA C6 . 1 HETATM 2102 C C7 . DO3 AaA 2 . C7 . DO3 284 1.635 22.637 33.949 0.810 19.165 . 284 DO3 AaA C7 . 1 HETATM 2103 C C8 . DO3 AaA 2 . C8 . DO3 284 2.645 23.719 33.724 0.810 19.667 . 284 DO3 AaA C8 . 1 HETATM 2104 C C9 . DO3 AaA 2 . C9 . DO3 284 0.874 26.887 34.785 0.810 20.089 . 284 DO3 AaA C9 . 1 HETATM 2105 C C10 . DO3 AaA 2 . C10 . DO3 284 1.420 25.802 33.893 0.810 21.008 . 284 DO3 AaA C10 . 1 HETATM 2106 C C11 . DO3 AaA 2 . C11 . DO3 284 2.470 26.681 38.667 0.810 15.950 . 284 DO3 AaA C11 . 1 HETATM 2107 C C12 . DO3 AaA 2 . C12 . DO3 284 3.529 26.556 37.602 0.810 18.267 . 284 DO3 AaA C12 . 1 HETATM 2108 C C13 . DO3 AaA 2 . C13 . DO3 284 0.659 22.500 39.428 0.810 19.358 . 284 DO3 AaA C13 . 1 HETATM 2109 C C14 . DO3 AaA 2 . C14 . DO3 284 2.152 22.472 39.234 0.810 18.419 . 284 DO3 AaA C14 . 1 HETATM 2110 C C15 . DO3 AaA 2 . C15 . DO3 284 -1.161 22.811 35.134 0.810 19.310 . 284 DO3 AaA C15 . 1 HETATM 2111 C C16 . DO3 AaA 2 . C16 . DO3 284 -0.069 21.842 35.451 0.810 20.654 . 284 DO3 AaA C16 . 1 HETATM 2112 C C17 . DO3 AaA 2 . C17 . DO3 284 -2.478 22.417 35.725 0.810 21.029 . 284 DO3 AaA C17 . 1 HETATM 2113 O O2 . DO3 AaA 2 . O2 . DO3 284 0.668 27.989 34.279 0.810 23.046 . 284 DO3 AaA O2 . 1 HETATM 2114 O O4 . DO3 AaA 2 . O4 . DO3 284 2.638 27.534 39.536 0.810 15.351 . 284 DO3 AaA O4 . 1 HETATM 2115 O O6 . DO3 AaA 2 . O6 . DO3 284 0.253 22.060 40.504 0.810 20.653 . 284 DO3 AaA O6 . 1 HETATM 2116 H HO7 . DO3 AaA 2 . HO7 . DO3 284 -0.081 24.301 35.310 0.000 17.610 . 284 DO3 AaA HO7 c 1 HETATM 2117 H HC11 . DO3 AaA 2 . HC11 . DO3 284 4.291 25.422 33.791 0.810 18.704 . 284 DO3 AaA HC11 c 1 HETATM 2118 H HC12 . DO3 AaA 2 . HC12 . DO3 284 3.592 26.606 34.576 0.810 18.707 . 284 DO3 AaA HC12 c 1 HETATM 2119 H HC21 . DO3 AaA 2 . HC21 . DO3 284 4.918 24.410 35.634 0.810 18.102 . 284 DO3 AaA HC21 c 1 HETATM 2120 H HC22 . DO3 AaA 2 . HC22 . DO3 284 5.194 25.936 35.928 0.810 18.096 . 284 DO3 AaA HC22 c 1 HETATM 2121 H HC31 . DO3 AaA 2 . HC31 . DO3 284 4.242 24.612 38.854 0.810 18.282 . 284 DO3 AaA HC31 c 1 HETATM 2122 H HC32 . DO3 AaA 2 . HC32 . DO3 284 5.364 24.429 37.765 0.810 18.285 . 284 DO3 AaA HC32 c 1 HETATM 2123 H HC41 . DO3 AaA 2 . HC41 . DO3 284 4.484 22.507 37.042 0.810 18.521 . 284 DO3 AaA HC41 c 1 HETATM 2124 H HC42 . DO3 AaA 2 . HC42 . DO3 284 4.533 22.413 38.619 0.810 18.511 . 284 DO3 AaA HC42 c 1 HETATM 2125 H HC51 . DO3 AaA 2 . HC51 . DO3 284 1.658 20.837 37.618 0.810 19.610 . 284 DO3 AaA HC51 c 1 HETATM 2126 H HC52 . DO3 AaA 2 . HC52 . DO3 284 3.201 20.690 37.355 0.810 19.609 . 284 DO3 AaA HC52 c 1 HETATM 2127 H HC61 . DO3 AaA 2 . HC61 . DO3 284 3.040 21.418 35.286 0.810 19.958 . 284 DO3 AaA HC61 c 1 HETATM 2128 H HC62 . DO3 AaA 2 . HC62 . DO3 284 1.810 20.445 35.462 0.810 19.943 . 284 DO3 AaA HC62 c 1 HETATM 2129 H HC71 . DO3 AaA 2 . HC71 . DO3 284 0.818 22.886 33.471 0.810 19.387 . 284 DO3 AaA HC71 c 1 HETATM 2130 H HC72 . DO3 AaA 2 . HC72 . DO3 284 1.969 21.815 33.532 0.810 19.387 . 284 DO3 AaA HC72 c 1 HETATM 2131 H HC81 . DO3 AaA 2 . HC81 . DO3 284 3.530 23.353 33.936 0.810 19.410 . 284 DO3 AaA HC81 c 1 HETATM 2132 H HC82 . DO3 AaA 2 . HC82 . DO3 284 2.647 23.941 32.769 0.810 19.418 . 284 DO3 AaA HC82 c 1 HETATM 2133 H H101 . DO3 AaA 2 . H101 . DO3 284 0.679 25.239 33.615 0.810 20.324 . 284 DO3 AaA H101 c 1 HETATM 2134 H H102 . DO3 AaA 2 . H102 . DO3 284 1.780 26.218 33.093 0.810 20.327 . 284 DO3 AaA H102 c 1 HETATM 2135 H H121 . DO3 AaA 2 . H121 . DO3 284 3.320 27.177 36.885 0.810 17.505 . 284 DO3 AaA H121 c 1 HETATM 2136 H H122 . DO3 AaA 2 . H122 . DO3 284 4.383 26.823 37.980 0.810 17.501 . 284 DO3 AaA H122 c 1 HETATM 2137 H H141 . DO3 AaA 2 . H141 . DO3 284 2.528 23.210 39.741 0.810 18.624 . 284 DO3 AaA H141 c 1 HETATM 2138 H H142 . DO3 AaA 2 . H142 . DO3 284 2.489 21.655 39.639 0.810 18.633 . 284 DO3 AaA H142 c 1 HETATM 2139 H HA . DO3 AaA 2 . HA . DO3 284 -1.256 22.889 34.145 0.810 19.506 . 284 DO3 AaA HA c 1 HETATM 2140 H H161 . DO3 AaA 2 . H161 . DO3 284 -0.200 21.521 36.372 0.810 20.076 . 284 DO3 AaA H161 c 1 HETATM 2141 H H162 . DO3 AaA 2 . H162 . DO3 284 -0.168 21.067 34.852 0.810 20.068 . 284 DO3 AaA H162 c 1 HETATM 2142 H H171 . DO3 AaA 2 . H171 . DO3 284 -2.404 21.538 36.139 0.810 20.484 . 284 DO3 AaA H171 c 1 HETATM 2143 H H172 . DO3 AaA 2 . H172 . DO3 284 -3.152 22.387 35.023 0.810 20.480 . 284 DO3 AaA H172 c 1 HETATM 2144 H H173 . DO3 AaA 2 . H173 . DO3 284 -2.743 23.070 36.398 0.810 20.476 . 284 DO3 AaA H173 c 1 HETATM 2145 N N1 . DO3 AbA 2 . N1 . DO3 285 -1.373 30.324 40.258 0.730 18.191 . 285 DO3 AbA N1 . 1 HETATM 2146 N N2 . DO3 AbA 2 . N2 . DO3 285 -3.718 28.813 40.474 0.730 18.003 . 285 DO3 AbA N2 . 1 HETATM 2147 N N3 . DO3 AbA 2 . N3 . DO3 285 -3.064 28.302 43.270 0.730 20.126 . 285 DO3 AbA N3 . 1 HETATM 2148 N N4 . DO3 AbA 2 . N4 . DO3 285 -0.516 29.682 42.979 0.730 18.768 . 285 DO3 AbA N4 . 1 HETATM 2149 O O1 . DO3 AbA 2 . O1 . DO3 285 -0.973 27.955 38.914 0.730 15.018 . 285 DO3 AbA O1 . 1 HETATM 2150 O O3 . DO3 AbA 2 . O3 . DO3 285 -2.796 26.333 40.484 0.730 17.839 . 285 DO3 AbA O3 . 1 HETATM 2151 O O5 . DO3 AbA 2 . O5 . DO3 285 -1.047 26.388 43.154 0.730 18.427 . 285 DO3 AbA O5 . 1 HETATM 2152 O O7 . DO3 AbA 2 . O7 . DO3 285 0.985 27.941 41.519 0.730 16.422 . 285 DO3 AbA O7 . 1 HETATM 2153 C C1 . DO3 AbA 2 . C1 . DO3 285 -2.543 30.776 39.521 0.730 19.038 . 285 DO3 AbA C1 . 1 HETATM 2154 C C2 . DO3 AbA 2 . C2 . DO3 285 -3.782 30.226 40.057 0.730 20.761 . 285 DO3 AbA C2 . 1 HETATM 2155 C C3 . DO3 AbA 2 . C3 . DO3 285 -4.738 28.708 41.520 0.730 19.098 . 285 DO3 AbA C3 . 1 HETATM 2156 C C4 . DO3 AbA 2 . C4 . DO3 285 -4.309 28.957 42.930 0.730 21.041 . 285 DO3 AbA C4 . 1 HETATM 2157 C C5 . DO3 AbA 2 . C5 . DO3 285 -2.449 28.997 44.404 0.730 21.830 . 285 DO3 AbA C5 . 1 HETATM 2158 C C6 . DO3 AbA 2 . C6 . DO3 285 -1.416 30.014 44.062 0.730 19.849 . 285 DO3 AbA C6 . 1 HETATM 2159 C C7 . DO3 AbA 2 . C7 . DO3 285 -0.159 30.963 42.373 0.730 18.786 . 285 DO3 AbA C7 . 1 HETATM 2160 C C8 . DO3 AbA 2 . C8 . DO3 285 -1.022 31.382 41.201 0.730 19.353 . 285 DO3 AbA C8 . 1 HETATM 2161 C C9 . DO3 AbA 2 . C9 . DO3 285 -0.351 28.892 38.446 0.730 15.881 . 285 DO3 AbA C9 . 1 HETATM 2162 C C10 . DO3 AbA 2 . C10 . DO3 285 -0.277 30.118 39.335 0.730 17.470 . 285 DO3 AbA C10 . 1 HETATM 2163 C C11 . DO3 AbA 2 . C11 . DO3 285 -3.750 26.486 39.768 0.730 18.726 . 285 DO3 AbA C11 . 1 HETATM 2164 C C12 . DO3 AbA 2 . C12 . DO3 285 -4.042 27.918 39.401 0.730 20.240 . 285 DO3 AbA C12 . 1 HETATM 2165 C C13 . DO3 AbA 2 . C13 . DO3 285 -2.075 25.968 43.637 0.730 19.219 . 285 DO3 AbA C13 . 1 HETATM 2166 C C14 . DO3 AbA 2 . C14 . DO3 285 -3.307 26.883 43.639 0.730 20.726 . 285 DO3 AbA C14 . 1 HETATM 2167 C C15 . DO3 AbA 2 . C15 . DO3 285 1.672 28.518 42.611 0.730 18.763 . 285 DO3 AbA C15 . 1 HETATM 2168 C C16 . DO3 AbA 2 . C16 . DO3 285 0.675 29.076 43.587 0.730 18.675 . 285 DO3 AbA C16 . 1 HETATM 2169 C C17 . DO3 AbA 2 . C17 . DO3 285 2.598 27.533 43.288 0.730 18.038 . 285 DO3 AbA C17 . 1 HETATM 2170 O O2 . DO3 AbA 2 . O2 . DO3 285 0.207 28.961 37.326 0.730 15.849 . 285 DO3 AbA O2 . 1 HETATM 2171 O O4 . DO3 AbA 2 . O4 . DO3 285 -4.479 25.575 39.315 0.730 19.739 . 285 DO3 AbA O4 . 1 HETATM 2172 O O6 . DO3 AbA 2 . O6 . DO3 285 -2.221 24.844 44.130 0.730 18.427 . 285 DO3 AbA O6 . 1 HETATM 2173 H HO7 . DO3 AbA 2 . HO7 . DO3 285 0.521 28.543 41.142 0.000 16.490 . 285 DO3 AbA HO7 c 1 HETATM 2174 H HC11 . DO3 AbA 2 . HC11 . DO3 285 -2.590 31.755 39.548 0.730 19.219 . 285 DO3 AbA HC11 c 1 HETATM 2175 H HC12 . DO3 AbA 2 . HC12 . DO3 285 -2.461 30.508 38.582 0.730 19.207 . 285 DO3 AbA HC12 c 1 HETATM 2176 H HC21 . DO3 AbA 2 . HC21 . DO3 285 -4.046 30.773 40.826 0.730 19.671 . 285 DO3 AbA HC21 c 1 HETATM 2177 H HC22 . DO3 AbA 2 . HC22 . DO3 285 -4.481 30.322 39.377 0.730 19.671 . 285 DO3 AbA HC22 c 1 HETATM 2178 H HC31 . DO3 AbA 2 . HC31 . DO3 285 -5.126 27.810 41.484 0.730 19.274 . 285 DO3 AbA HC31 c 1 HETATM 2179 H HC32 . DO3 AbA 2 . HC32 . DO3 285 -5.463 29.335 41.311 0.730 19.276 . 285 DO3 AbA HC32 c 1 HETATM 2180 H HC41 . DO3 AbA 2 . HC41 . DO3 285 -4.212 29.923 43.062 0.730 20.358 . 285 DO3 AbA HC41 c 1 HETATM 2181 H HC42 . DO3 AbA 2 . HC42 . DO3 285 -5.013 28.642 43.536 0.730 20.355 . 285 DO3 AbA HC42 c 1 HETATM 2182 H HC51 . DO3 AbA 2 . HC51 . DO3 285 -2.034 28.331 44.987 0.730 20.937 . 285 DO3 AbA HC51 c 1 HETATM 2183 H HC52 . DO3 AbA 2 . HC52 . DO3 285 -3.154 29.437 44.925 0.730 20.941 . 285 DO3 AbA HC52 c 1 HETATM 2184 H HC61 . DO3 AbA 2 . HC61 . DO3 285 -1.883 30.845 43.836 0.730 20.023 . 285 DO3 AbA HC61 c 1 HETATM 2185 H HC62 . DO3 AbA 2 . HC62 . DO3 285 -0.886 30.193 44.867 0.730 20.021 . 285 DO3 AbA HC62 c 1 HETATM 2186 H HC71 . DO3 AbA 2 . HC71 . DO3 285 0.769 30.919 42.065 0.730 18.908 . 285 DO3 AbA HC71 c 1 HETATM 2187 H HC72 . DO3 AbA 2 . HC72 . DO3 285 -0.202 31.664 43.057 0.730 18.918 . 285 DO3 AbA HC72 c 1 HETATM 2188 H HC81 . DO3 AbA 2 . HC81 . DO3 285 -1.849 31.769 41.559 0.730 18.943 . 285 DO3 AbA HC81 c 1 HETATM 2189 H HC82 . DO3 AbA 2 . HC82 . DO3 285 -0.556 32.094 40.715 0.730 18.934 . 285 DO3 AbA HC82 c 1 HETATM 2190 H H101 . DO3 AbA 2 . H101 . DO3 285 0.546 30.065 39.848 0.730 17.257 . 285 DO3 AbA H101 c 1 HETATM 2191 H H102 . DO3 AbA 2 . H102 . DO3 285 -0.207 30.901 38.765 0.730 17.256 . 285 DO3 AbA H102 c 1 HETATM 2192 H H121 . DO3 AbA 2 . H121 . DO3 285 -3.523 28.156 38.620 0.730 19.342 . 285 DO3 AbA H121 c 1 HETATM 2193 H H122 . DO3 AbA 2 . H122 . DO3 285 -4.983 28.007 39.177 0.730 19.335 . 285 DO3 AbA H122 c 1 HETATM 2194 H H141 . DO3 AbA 2 . H141 . DO3 285 -3.958 26.512 43.023 0.730 20.220 . 285 DO3 AbA H141 c 1 HETATM 2195 H H142 . DO3 AbA 2 . H142 . DO3 285 -3.705 26.859 44.524 0.730 20.226 . 285 DO3 AbA H142 c 1 HETATM 2196 H HA . DO3 AbA 2 . HA . DO3 285 2.227 29.271 42.266 0.730 18.142 . 285 DO3 AbA HA c 1 HETATM 2197 H H161 . DO3 AbA 2 . H161 . DO3 285 0.388 28.349 44.187 0.730 18.721 . 285 DO3 AbA H161 c 1 HETATM 2198 H H162 . DO3 AbA 2 . H162 . DO3 285 1.131 29.753 44.139 0.730 18.724 . 285 DO3 AbA H162 c 1 HETATM 2199 H H171 . DO3 AbA 2 . H171 . DO3 285 2.403 27.500 44.242 0.730 18.260 . 285 DO3 AbA H171 c 1 HETATM 2200 H H172 . DO3 AbA 2 . H172 . DO3 285 3.522 27.814 43.157 0.730 18.258 . 285 DO3 AbA H172 c 1 HETATM 2201 H H173 . DO3 AbA 2 . H173 . DO3 285 2.470 26.649 42.901 0.730 18.255 . 285 DO3 AbA H173 c 1 HETATM 2202 CL CL . CL AcA 3 . CL . CL 286 -8.326 31.171 26.959 1.000 14.436 . 286 CL AcA CL . 1 HETATM 2203 CL CL . CL AdA 3 . CL . CL 287 -11.700 28.727 12.534 1.000 15.061 . 287 CL AdA CL . 1 HETATM 2204 CL CL . CL AeA 3 . CL . CL 288 10.968 10.620 33.262 1.000 23.549 . 288 CL AeA CL . 1 HETATM 2205 CL CL . CL AfA 3 . CL . CL 289 -7.524 9.896 14.313 1.000 29.856 . 289 CL AfA CL . 1 HETATM 2206 GD GD . GD AgA 4 . GD . GD 290 0.951 24.564 36.806 0.810 15.854 . 290 GD AgA GD . 1 HETATM 2207 GD GD . GD AhA 4 . GD . GD 291 -1.378 27.838 41.360 0.730 16.234 . 291 GD AhA GD . 1 HETATM 2208 O O . HOH ZZZ 5 . O . HOH 1 1.592 9.574 6.207 1.000 18.158 . 1 HOH ZZZ O . 1 HETATM 2209 O O . HOH ZZZ 5 . O . HOH 2 -8.468 19.065 0.931 1.000 29.529 . 2 HOH ZZZ O . 1 HETATM 2210 O O . HOH ZZZ 5 . O . HOH 3 0.157 17.481 4.951 1.000 20.449 . 3 HOH ZZZ O . 1 HETATM 2211 O O . HOH ZZZ 5 . O . HOH 4 -2.124 19.874 3.792 1.000 34.914 . 4 HOH ZZZ O . 1 HETATM 2212 O O . HOH ZZZ 5 . O . HOH 5 -6.423 19.324 2.638 1.000 15.896 . 5 HOH ZZZ O . 1 HETATM 2213 O O . HOH ZZZ 5 . O . HOH 6 -6.652 16.490 3.696 1.000 13.431 . 6 HOH ZZZ O . 1 HETATM 2214 O O . HOH ZZZ 5 . O . HOH 7 -9.529 12.179 9.632 1.000 19.554 . 7 HOH ZZZ O . 1 HETATM 2215 O O . HOH ZZZ 5 . O . HOH 8 -7.961 9.903 8.627 1.000 28.822 . 8 HOH ZZZ O . 1 HETATM 2216 O O . HOH ZZZ 5 . O . HOH 9 -2.725 11.314 5.352 1.000 24.956 . 9 HOH ZZZ O . 1 HETATM 2217 O O . HOH ZZZ 5 . O . HOH 10 -14.511 22.287 28.783 1.000 25.458 . 10 HOH ZZZ O . 1 HETATM 2218 O O . HOH ZZZ 5 . O . HOH 11 -14.894 27.740 12.862 1.000 23.192 . 11 HOH ZZZ O . 1 HETATM 2219 O O . HOH ZZZ 5 . O . HOH 12 -16.027 22.775 11.482 1.000 27.666 . 12 HOH ZZZ O . 1 HETATM 2220 O O . HOH ZZZ 5 . O . HOH 13 7.779 26.041 18.698 1.000 21.803 . 13 HOH ZZZ O . 1 HETATM 2221 O O . HOH ZZZ 5 . O . HOH 14 -14.986 8.901 16.998 1.000 24.729 . 14 HOH ZZZ O . 1 HETATM 2222 O O . HOH ZZZ 5 . O . HOH 15 -17.788 12.674 16.861 1.000 27.800 . 15 HOH ZZZ O . 1 HETATM 2223 O O . HOH ZZZ 5 . O . HOH 16 -11.971 11.861 11.220 1.000 20.310 . 16 HOH ZZZ O . 1 HETATM 2224 O O . HOH ZZZ 5 . O . HOH 17 -16.342 14.342 20.696 1.000 25.674 . 17 HOH ZZZ O . 1 HETATM 2225 O O . HOH ZZZ 5 . O . HOH 18 -9.939 8.037 16.072 1.000 32.256 . 18 HOH ZZZ O . 1 HETATM 2226 O O . HOH ZZZ 5 . O . HOH 19 -15.935 19.480 22.573 1.000 25.287 . 19 HOH ZZZ O . 1 HETATM 2227 O O . HOH ZZZ 5 . O . HOH 20 -16.289 23.649 14.309 1.000 22.202 . 20 HOH ZZZ O . 1 HETATM 2228 O O . HOH ZZZ 5 . O . HOH 21 -19.042 21.123 16.496 1.000 31.703 . 21 HOH ZZZ O . 1 HETATM 2229 O O . HOH ZZZ 5 . O . HOH 22 -14.603 25.724 15.225 1.000 14.537 . 22 HOH ZZZ O . 1 HETATM 2230 O O . HOH ZZZ 5 . O . HOH 23 -13.169 18.131 28.594 1.000 31.989 . 23 HOH ZZZ O . 1 HETATM 2231 O O . HOH ZZZ 5 . O . HOH 24 -9.564 19.189 30.325 1.000 29.153 . 24 HOH ZZZ O . 1 HETATM 2232 O O . HOH ZZZ 5 . O . HOH 25 -14.655 23.488 26.211 1.000 20.816 . 25 HOH ZZZ O . 1 HETATM 2233 O O . HOH ZZZ 5 . O . HOH 26 -10.640 29.216 28.253 1.000 31.006 . 26 HOH ZZZ O . 1 HETATM 2234 O O . HOH ZZZ 5 . O . HOH 27 -10.727 31.034 24.660 1.000 12.590 . 27 HOH ZZZ O . 1 HETATM 2235 O O . HOH ZZZ 5 . O . HOH 28 -13.608 27.947 28.848 1.000 32.821 . 28 HOH ZZZ O . 1 HETATM 2236 O O . HOH ZZZ 5 . O . HOH 29 -15.582 26.646 26.098 1.000 30.887 . 29 HOH ZZZ O . 1 HETATM 2237 O O . HOH ZZZ 5 . O . HOH 30 -14.549 31.723 21.383 1.000 19.425 . 30 HOH ZZZ O . 1 HETATM 2238 O O . HOH ZZZ 5 . O . HOH 31 -14.877 28.425 20.170 1.000 30.460 . 31 HOH ZZZ O . 1 HETATM 2239 O O . HOH ZZZ 5 . O . HOH 32 -14.407 30.949 18.565 1.000 22.264 . 32 HOH ZZZ O . 1 HETATM 2240 O O . HOH ZZZ 5 . O . HOH 33 11.019 5.251 33.925 1.000 32.527 . 33 HOH ZZZ O . 1 HETATM 2241 O O . HOH ZZZ 5 . O . HOH 34 -11.735 30.907 18.453 1.000 11.822 . 34 HOH ZZZ O . 1 HETATM 2242 O O . HOH ZZZ 5 . O . HOH 35 -11.850 32.486 15.822 1.000 25.312 . 35 HOH ZZZ O . 1 HETATM 2243 O O . HOH ZZZ 5 . O . HOH 36 7.328 22.951 39.784 1.000 28.420 . 36 HOH ZZZ O . 1 HETATM 2244 O O . HOH ZZZ 5 . O . HOH 37 -6.228 33.163 17.301 1.000 13.759 . 37 HOH ZZZ O . 1 HETATM 2245 O O . HOH ZZZ 5 . O . HOH 38 -9.518 32.883 16.674 1.000 13.948 . 38 HOH ZZZ O . 1 HETATM 2246 O O . HOH ZZZ 5 . O . HOH 39 -6.605 8.671 32.877 1.000 32.768 . 39 HOH ZZZ O . 1 HETATM 2247 O O . HOH ZZZ 5 . O . HOH 40 1.731 3.857 17.398 1.000 26.233 . 40 HOH ZZZ O . 1 HETATM 2248 O O . HOH ZZZ 5 . O . HOH 41 -3.000 5.784 23.666 1.000 28.220 . 41 HOH ZZZ O . 1 HETATM 2249 O O . HOH ZZZ 5 . O . HOH 42 0.783 2.953 24.683 1.000 31.064 . 42 HOH ZZZ O . 1 HETATM 2250 O O . HOH ZZZ 5 . O . HOH 43 -5.143 8.958 26.226 1.000 29.559 . 43 HOH ZZZ O . 1 HETATM 2251 O O . HOH ZZZ 5 . O . HOH 44 5.216 23.634 9.438 1.000 21.509 . 44 HOH ZZZ O . 1 HETATM 2252 O O . HOH ZZZ 5 . O . HOH 45 3.557 24.484 3.462 1.000 34.926 . 45 HOH ZZZ O . 1 HETATM 2253 O O . HOH ZZZ 5 . O . HOH 46 5.647 24.142 6.747 1.000 31.789 . 46 HOH ZZZ O . 1 HETATM 2254 O O . HOH ZZZ 5 . O . HOH 47 7.372 25.187 16.032 1.000 15.091 . 47 HOH ZZZ O . 1 HETATM 2255 O O . HOH ZZZ 5 . O . HOH 48 5.568 25.942 20.270 1.000 22.053 . 48 HOH ZZZ O . 1 HETATM 2256 O O . HOH ZZZ 5 . O . HOH 49 8.152 19.780 14.374 1.000 28.294 . 49 HOH ZZZ O . 1 HETATM 2257 O O . HOH ZZZ 5 . O . HOH 50 7.056 23.628 20.314 1.000 20.889 . 50 HOH ZZZ O . 1 HETATM 2258 O O . HOH ZZZ 5 . O . HOH 51 -8.312 19.713 32.992 1.000 34.925 . 51 HOH ZZZ O . 1 HETATM 2259 O O . HOH ZZZ 5 . O . HOH 52 -3.605 20.045 34.250 1.000 26.167 . 52 HOH ZZZ O . 1 HETATM 2260 O O . HOH ZZZ 5 . O . HOH 53 7.403 17.004 11.263 1.000 17.056 . 53 HOH ZZZ O . 1 HETATM 2261 O O . HOH ZZZ 5 . O . HOH 54 2.365 18.734 5.861 1.000 17.130 . 54 HOH ZZZ O . 1 HETATM 2262 O O . HOH ZZZ 5 . O . HOH 55 4.781 10.172 9.986 1.000 12.352 . 55 HOH ZZZ O . 1 HETATM 2263 O O . HOH ZZZ 5 . O . HOH 56 -2.824 35.446 7.769 1.000 33.840 . 56 HOH ZZZ O . 1 HETATM 2264 O O . HOH ZZZ 5 . O . HOH 57 -0.506 38.547 19.884 1.000 20.695 . 57 HOH ZZZ O . 1 HETATM 2265 O O . HOH ZZZ 5 . O . HOH 58 13.690 13.690 19.328 0.500 3.956 . 58 HOH ZZZ O . 1 HETATM 2266 O O . HOH ZZZ 5 . O . HOH 59 10.605 12.437 15.335 1.000 11.729 . 59 HOH ZZZ O . 1 HETATM 2267 O O . HOH ZZZ 5 . O . HOH 60 14.455 17.708 16.496 1.000 28.069 . 60 HOH ZZZ O . 1 HETATM 2268 O O . HOH ZZZ 5 . O . HOH 61 15.546 15.546 19.328 0.500 20.220 . 61 HOH ZZZ O . 1 HETATM 2269 O O . HOH ZZZ 5 . O . HOH 62 15.801 17.918 18.752 1.000 20.425 . 62 HOH ZZZ O . 1 HETATM 2270 O O . HOH ZZZ 5 . O . HOH 63 10.978 22.006 20.782 1.000 32.628 . 63 HOH ZZZ O . 1 HETATM 2271 O O . HOH ZZZ 5 . O . HOH 64 18.731 19.279 25.208 1.000 25.555 . 64 HOH ZZZ O . 1 HETATM 2272 O O . HOH ZZZ 5 . O . HOH 65 13.562 24.093 27.800 1.000 18.173 . 65 HOH ZZZ O . 1 HETATM 2273 O O . HOH ZZZ 5 . O . HOH 66 20.980 21.455 26.448 1.000 30.710 . 66 HOH ZZZ O . 1 HETATM 2274 O O . HOH ZZZ 5 . O . HOH 67 14.305 24.437 23.974 1.000 28.588 . 67 HOH ZZZ O . 1 HETATM 2275 O O . HOH ZZZ 5 . O . HOH 68 12.340 23.673 32.721 1.000 25.155 . 68 HOH ZZZ O . 1 HETATM 2276 O O . HOH ZZZ 5 . O . HOH 69 18.096 19.184 32.932 1.000 23.156 . 69 HOH ZZZ O . 1 HETATM 2277 O O . HOH ZZZ 5 . O . HOH 70 15.267 16.639 31.780 1.000 26.239 . 70 HOH ZZZ O . 1 HETATM 2278 O O . HOH ZZZ 5 . O . HOH 71 10.248 22.151 29.555 1.000 25.072 . 71 HOH ZZZ O . 1 HETATM 2279 O O . HOH ZZZ 5 . O . HOH 72 8.615 23.050 24.096 1.000 26.335 . 72 HOH ZZZ O . 1 HETATM 2280 O O . HOH ZZZ 5 . O . HOH 73 0.808 15.963 20.257 1.000 11.126 . 73 HOH ZZZ O . 1 HETATM 2281 O O . HOH ZZZ 5 . O . HOH 74 8.747 21.609 19.265 1.000 14.233 . 74 HOH ZZZ O . 1 HETATM 2282 O O . HOH ZZZ 5 . O . HOH 75 5.066 22.516 22.260 1.000 20.781 . 75 HOH ZZZ O . 1 HETATM 2283 O O . HOH ZZZ 5 . O . HOH 76 3.092 20.862 26.022 1.000 15.816 . 76 HOH ZZZ O . 1 HETATM 2284 O O . HOH ZZZ 5 . O . HOH 77 7.208 13.275 32.129 1.000 10.093 . 77 HOH ZZZ O . 1 HETATM 2285 O O . HOH ZZZ 5 . O . HOH 78 2.985 23.162 29.102 1.000 20.571 . 78 HOH ZZZ O . 1 HETATM 2286 O O . HOH ZZZ 5 . O . HOH 79 9.467 7.658 34.598 1.000 36.673 . 79 HOH ZZZ O . 1 HETATM 2287 O O . HOH ZZZ 5 . O . HOH 80 6.866 11.345 33.582 1.000 17.979 . 80 HOH ZZZ O . 1 HETATM 2288 O O . HOH ZZZ 5 . O . HOH 81 4.703 5.196 30.399 1.000 15.887 . 81 HOH ZZZ O . 1 HETATM 2289 O O . HOH ZZZ 5 . O . HOH 82 9.645 4.851 31.446 1.000 11.592 . 82 HOH ZZZ O . 1 HETATM 2290 O O . HOH ZZZ 5 . O . HOH 83 8.950 11.952 31.074 1.000 15.186 . 83 HOH ZZZ O . 1 HETATM 2291 O O . HOH ZZZ 5 . O . HOH 84 12.984 13.910 27.049 1.000 14.588 . 84 HOH ZZZ O . 1 HETATM 2292 O O . HOH ZZZ 5 . O . HOH 85 13.718 6.425 33.861 1.000 28.412 . 85 HOH ZZZ O . 1 HETATM 2293 O O . HOH ZZZ 5 . O . HOH 86 16.472 7.295 29.861 1.000 25.783 . 86 HOH ZZZ O . 1 HETATM 2294 O O . HOH ZZZ 5 . O . HOH 87 17.954 9.412 25.347 1.000 18.474 . 87 HOH ZZZ O . 1 HETATM 2295 O O . HOH ZZZ 5 . O . HOH 88 6.322 11.388 36.111 1.000 27.934 . 88 HOH ZZZ O . 1 HETATM 2296 O O . HOH ZZZ 5 . O . HOH 89 4.798 17.036 43.449 1.000 34.741 . 89 HOH ZZZ O . 1 HETATM 2297 O O . HOH ZZZ 5 . O . HOH 90 5.810 20.109 40.073 1.000 37.696 . 90 HOH ZZZ O . 1 HETATM 2298 O O . HOH ZZZ 5 . O . HOH 91 4.890 21.664 42.436 1.000 33.736 . 91 HOH ZZZ O . 1 HETATM 2299 O O . HOH ZZZ 5 . O . HOH 92 2.276 20.802 42.678 1.000 35.063 . 92 HOH ZZZ O . 1 HETATM 2300 O O . HOH ZZZ 5 . O . HOH 93 4.580 7.947 35.003 1.000 29.373 . 93 HOH ZZZ O . 1 HETATM 2301 O O . HOH ZZZ 5 . O . HOH 94 2.386 13.246 37.381 1.000 29.000 . 94 HOH ZZZ O . 1 HETATM 2302 O O . HOH ZZZ 5 . O . HOH 95 1.868 6.410 31.488 1.000 17.976 . 95 HOH ZZZ O . 1 HETATM 2303 O O . HOH ZZZ 5 . O . HOH 96 -5.797 10.595 31.304 1.000 37.369 . 96 HOH ZZZ O . 1 HETATM 2304 O O . HOH ZZZ 5 . O . HOH 97 -4.690 12.221 32.862 1.000 34.552 . 97 HOH ZZZ O . 1 HETATM 2305 O O . HOH ZZZ 5 . O . HOH 98 3.595 5.358 18.680 1.000 20.417 . 98 HOH ZZZ O . 1 HETATM 2306 O O . HOH ZZZ 5 . O . HOH 99 2.487 4.042 22.540 1.000 21.905 . 99 HOH ZZZ O . 1 HETATM 2307 O O . HOH ZZZ 5 . O . HOH 100 6.513 3.170 24.335 1.000 20.446 . 100 HOH ZZZ O . 1 HETATM 2308 O O . HOH ZZZ 5 . O . HOH 101 -2.083 6.607 21.197 1.000 21.038 . 101 HOH ZZZ O . 1 HETATM 2309 O O . HOH ZZZ 5 . O . HOH 102 0.129 13.298 17.532 1.000 22.780 . 102 HOH ZZZ O . 1 HETATM 2310 O O . HOH ZZZ 5 . O . HOH 103 -1.290 11.263 17.228 1.000 11.589 . 103 HOH ZZZ O . 1 HETATM 2311 O O . HOH ZZZ 5 . O . HOH 104 -2.362 4.383 19.625 1.000 34.871 . 104 HOH ZZZ O . 1 HETATM 2312 O O . HOH ZZZ 5 . O . HOH 105 -2.896 4.561 15.536 1.000 37.007 . 105 HOH ZZZ O . 1 HETATM 2313 O O . HOH ZZZ 5 . O . HOH 106 1.119 3.020 12.558 1.000 34.188 . 106 HOH ZZZ O . 1 HETATM 2314 O O . HOH ZZZ 5 . O . HOH 107 2.175 4.403 10.396 1.000 32.596 . 107 HOH ZZZ O . 1 HETATM 2315 O O . HOH ZZZ 5 . O . HOH 108 -1.671 5.408 9.537 1.000 27.369 . 108 HOH ZZZ O . 1 HETATM 2316 O O . HOH ZZZ 5 . O . HOH 109 -5.241 5.401 12.802 0.500 15.982 . 109 HOH ZZZ O . 1 HETATM 2317 O O . HOH ZZZ 5 . O . HOH 110 -4.850 3.743 14.243 0.500 29.410 . 110 HOH ZZZ O . 1 HETATM 2318 O O . HOH ZZZ 5 . O . HOH 111 -5.363 8.501 11.717 1.000 25.523 . 111 HOH ZZZ O . 1 HETATM 2319 O O . HOH ZZZ 5 . O . HOH 112 0.217 4.392 14.763 1.000 19.408 . 112 HOH ZZZ O . 1 HETATM 2320 O O . HOH ZZZ 5 . O . HOH 113 2.039 6.508 11.816 1.000 19.452 . 113 HOH ZZZ O . 1 HETATM 2321 O O . HOH ZZZ 5 . O . HOH 114 -2.156 10.340 19.744 1.000 12.776 . 114 HOH ZZZ O . 1 HETATM 2322 O O . HOH ZZZ 5 . O . HOH 115 -4.262 7.820 20.290 1.000 13.923 . 115 HOH ZZZ O . 1 HETATM 2323 O O . HOH ZZZ 5 . O . HOH 116 -11.004 7.691 19.902 1.000 26.221 . 116 HOH ZZZ O . 1 HETATM 2324 O O . HOH ZZZ 5 . O . HOH 117 -3.990 11.450 26.366 1.000 14.923 . 117 HOH ZZZ O . 1 HETATM 2325 O O . HOH ZZZ 5 . O . HOH 118 -8.611 15.454 28.513 1.000 28.568 . 118 HOH ZZZ O . 1 HETATM 2326 O O . HOH ZZZ 5 . O . HOH 119 -14.737 17.438 25.017 1.000 44.005 . 119 HOH ZZZ O . 1 HETATM 2327 O O . HOH ZZZ 5 . O . HOH 120 -15.267 14.965 22.847 1.000 31.885 . 120 HOH ZZZ O . 1 HETATM 2328 O O . HOH ZZZ 5 . O . HOH 121 -4.952 12.109 28.890 1.000 22.334 . 121 HOH ZZZ O . 1 HETATM 2329 O O . HOH ZZZ 5 . O . HOH 122 -5.981 21.144 33.008 1.000 22.289 . 122 HOH ZZZ O . 1 HETATM 2330 O O . HOH ZZZ 5 . O . HOH 123 -6.754 27.700 30.139 1.000 16.906 . 123 HOH ZZZ O . 1 HETATM 2331 O O . HOH ZZZ 5 . O . HOH 124 -12.146 23.046 29.422 1.000 27.179 . 124 HOH ZZZ O . 1 HETATM 2332 O O . HOH ZZZ 5 . O . HOH 125 -7.319 26.285 34.979 1.000 32.771 . 125 HOH ZZZ O . 1 HETATM 2333 O O . HOH ZZZ 5 . O . HOH 126 -2.228 26.629 28.887 1.000 28.145 . 126 HOH ZZZ O . 1 HETATM 2334 O O . HOH ZZZ 5 . O . HOH 127 -3.582 29.066 36.429 1.000 27.413 . 127 HOH ZZZ O . 1 HETATM 2335 O O . HOH ZZZ 5 . O . HOH 128 0.298 25.493 29.892 1.000 30.780 . 128 HOH ZZZ O . 1 HETATM 2336 O O . HOH ZZZ 5 . O . HOH 129 -2.598 30.639 34.877 1.000 39.530 . 129 HOH ZZZ O . 1 HETATM 2337 O O . HOH ZZZ 5 . O . HOH 130 5.498 25.761 23.060 1.000 21.193 . 130 HOH ZZZ O . 1 HETATM 2338 O O . HOH ZZZ 5 . O . HOH 131 1.509 37.035 18.713 1.000 24.725 . 131 HOH ZZZ O . 1 HETATM 2339 O O . HOH ZZZ 5 . O . HOH 132 4.154 31.883 10.059 1.000 11.753 . 132 HOH ZZZ O . 1 HETATM 2340 O O . HOH ZZZ 5 . O . HOH 133 0.678 33.034 10.182 1.000 31.942 . 133 HOH ZZZ O . 1 HETATM 2341 O O . HOH ZZZ 5 . O . HOH 134 0.011 36.269 25.890 1.000 23.806 . 134 HOH ZZZ O . 1 HETATM 2342 O O . HOH ZZZ 5 . O . HOH 135 -0.865 38.460 14.914 1.000 22.099 . 135 HOH ZZZ O . 1 HETATM 2343 O O . HOH ZZZ 5 . O . HOH 136 0.323 37.763 22.465 1.000 23.121 . 136 HOH ZZZ O . 1 HETATM 2344 O O . HOH ZZZ 5 . O . HOH 137 0.706 35.468 15.618 1.000 15.567 . 137 HOH ZZZ O . 1 HETATM 2345 O O . HOH ZZZ 5 . O . HOH 138 -3.843 41.018 13.980 1.000 31.551 . 138 HOH ZZZ O . 1 HETATM 2346 O O . HOH ZZZ 5 . O . HOH 139 -3.353 38.954 18.728 1.000 20.565 . 139 HOH ZZZ O . 1 HETATM 2347 O O . HOH ZZZ 5 . O . HOH 140 -7.009 36.995 17.465 1.000 8.181 . 140 HOH ZZZ O . 1 HETATM 2348 O O . HOH ZZZ 5 . O . HOH 141 -7.336 34.868 15.456 1.000 12.636 . 141 HOH ZZZ O . 1 HETATM 2349 O O . HOH ZZZ 5 . O . HOH 142 -7.969 37.352 5.840 1.000 24.461 . 142 HOH ZZZ O . 1 HETATM 2350 O O . HOH ZZZ 5 . O . HOH 143 -4.272 33.120 7.897 1.000 21.443 . 143 HOH ZZZ O . 1 HETATM 2351 O O . HOH ZZZ 5 . O . HOH 144 -4.326 37.061 8.867 1.000 25.363 . 144 HOH ZZZ O . 1 HETATM 2352 O O . HOH ZZZ 5 . O . HOH 145 -2.866 32.105 10.079 1.000 18.862 . 145 HOH ZZZ O . 1 HETATM 2353 O O . HOH ZZZ 5 . O . HOH 146 -21.960 19.307 -2.325 1.000 25.142 . 146 HOH ZZZ O . 1 HETATM 2354 O O . HOH ZZZ 5 . O . HOH 147 -15.280 15.788 7.328 1.000 22.920 . 147 HOH ZZZ O . 1 HETATM 2355 O O . HOH ZZZ 5 . O . HOH 148 -23.021 19.413 0.518 1.000 30.910 . 148 HOH ZZZ O . 1 HETATM 2356 O O . HOH ZZZ 5 . O . HOH 149 -16.628 16.213 9.193 0.500 14.244 . 149 HOH ZZZ O . 1 HETATM 2357 O O . HOH ZZZ 5 . O . HOH 150 -1.962 24.069 39.550 1.000 27.161 . 150 HOH ZZZ O . 1 HETATM 2358 O O . HOH ZZZ 5 . O . HOH 151 5.034 28.274 40.667 1.000 17.071 . 151 HOH ZZZ O . 1 HETATM 2359 O O . HOH ZZZ 5 . O . HOH 152 -0.957 25.501 37.775 1.000 20.392 . 152 HOH ZZZ O . 1 HETATM 2360 O O . HOH ZZZ 5 . O . HOH 153 -0.099 23.267 43.235 1.000 29.037 . 153 HOH ZZZ O . 1 HETATM 2361 O O . HOH ZZZ 5 . O . HOH 154 -0.232 25.609 40.770 1.000 24.954 . 154 HOH ZZZ O . 1 # data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh DO3 DO3 '10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLO' NON-POLYMER 57 29 # data_link_list loop_ _chem_link.id _chem_link.comp_id_1 _chem_link.mod_id_1 _chem_link.group_comp_1 _chem_link.comp_id_2 _chem_link.mod_id_2 _chem_link.group_comp_2 _chem_link.name SS . CYS-SS peptide . CYS-SS peptide SS-bridge # data_mod_list loop_ _chem_mod.id _chem_mod.name _chem_mod.comp_id _chem_mod.group_id CYS-SS 'HG-deletete' CYS . # data_comp_DO3 loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge _chem_comp_atom.x _chem_comp_atom.y _chem_comp_atom.z DO3 N1 N NT 0.000 2.371 24.783 34.120 DO3 N2 N NT 0.000 3.674 25.345 36.762 DO3 N3 N NT 0.000 2.860 22.644 38.071 DO3 N4 N NT 0.000 1.388 22.154 35.457 DO3 O1 O OC -1.000 -0.527 26.094 34.765 DO3 O3 O OC -1.000 0.852 26.506 37.433 DO3 O5 O OC -1.000 0.559 24.247 39.689 DO3 O7 O OH1 0.000 -0.531 23.877 36.844 DO3 C1 C CH2 0.000 3.607 25.589 34.228 DO3 C2 C CH2 0.000 4.427 25.346 35.489 DO3 C3 C CH2 0.000 4.407 24.645 37.840 DO3 C4 C CH2 0.000 4.239 23.130 37.850 DO3 C5 C CH2 0.000 2.631 21.289 37.524 DO3 C6 C CH2 0.000 2.411 21.219 36.017 DO3 C7 C CH2 0.000 1.596 22.361 33.989 DO3 C8 C CH2 0.000 2.638 23.413 33.629 DO3 C9 C C 0.000 0.502 26.501 34.194 DO3 C10 C CH2 0.000 1.291 25.488 33.364 DO3 C11 C C 0.000 1.933 26.684 38.025 DO3 C12 C CH2 0.000 3.202 26.702 37.173 DO3 C13 C C 0.000 0.911 23.053 39.638 DO3 C14 C CH2 0.000 2.406 22.771 39.490 DO3 C15 C CH1 0.000 -0.966 22.972 35.836 DO3 C16 C CH2 0.000 -0.006 21.792 35.792 DO3 C17 C CH3 0.000 -2.412 22.556 36.069 DO3 O2 O O 0.000 0.938 27.669 34.231 DO3 O4 O O 0.000 2.068 26.847 39.255 DO3 O6 O O 0.000 0.149 22.067 39.702 DO3 HO7 H H 0.000 0.076 24.376 36.524 DO3 HC11 H H 0.000 4.177 25.398 33.453 DO3 HC12 H H 0.000 3.385 26.542 34.189 DO3 HC21 H H 0.000 4.885 24.485 35.386 DO3 HC22 H H 0.000 5.119 26.037 35.541 DO3 HC31 H H 0.000 4.125 24.993 38.710 DO3 HC32 H H 0.000 5.364 24.845 37.753 DO3 HC41 H H 0.000 4.574 22.782 36.998 DO3 HC42 H H 0.000 4.813 22.764 38.555 DO3 HC51 H H 0.000 1.855 20.885 37.964 DO3 HC52 H H 0.000 3.406 20.729 37.744 DO3 HC61 H H 0.000 3.271 21.385 35.579 DO3 HC62 H H 0.000 2.145 20.303 35.791 DO3 HC71 H H 0.000 0.749 22.607 33.568 DO3 HC72 H H 0.000 1.873 21.510 33.587 DO3 HC81 H H 0.000 3.505 23.111 33.973 DO3 HC82 H H 0.000 2.713 23.445 32.652 DO3 H101 H H 0.000 0.665 24.843 33.005 DO3 H102 H H 0.000 1.688 25.952 32.608 DO3 H121 H H 0.000 3.029 27.243 36.390 DO3 H122 H H 0.000 3.909 27.141 37.676 DO3 H141 H H 0.000 2.892 23.481 39.932 DO3 H142 H H 0.000 2.612 21.946 39.963 DO3 HA H H 0.000 -0.925 23.442 34.958 DO3 H161 H H 0.000 -0.035 21.346 36.667 DO3 H162 H H 0.000 -0.338 21.148 35.124 DO3 H171 H H 0.000 -2.459 21.599 36.249 DO3 H172 H H 0.000 -2.937 22.760 35.274 DO3 H173 H H 0.000 -2.778 23.044 36.829 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type _chem_comp_bond.value_dist _chem_comp_bond.value_dist_esd DO3 N1 C1 SINGLE 1.470 0.011 DO3 N1 C8 SINGLE 1.470 0.011 DO3 N1 C10 SINGLE 1.464 0.019 DO3 N2 C2 SINGLE 1.470 0.011 DO3 N2 C3 SINGLE 1.470 0.011 DO3 N2 C12 SINGLE 1.464 0.019 DO3 N3 C4 SINGLE 1.470 0.011 DO3 N3 C5 SINGLE 1.470 0.011 DO3 N3 C14 SINGLE 1.464 0.019 DO3 N4 C6 SINGLE 1.471 0.018 DO3 N4 C7 SINGLE 1.471 0.018 DO3 N4 C16 SINGLE 1.471 0.010 DO3 O1 C9 SINGLE 1.247 0.019 DO3 O3 C11 SINGLE 1.247 0.019 DO3 O5 C13 SINGLE 1.247 0.019 DO3 O7 C15 SINGLE 1.422 0.010 DO3 C1 C2 SINGLE 1.512 0.020 DO3 C3 C4 SINGLE 1.512 0.020 DO3 C5 C6 SINGLE 1.512 0.020 DO3 C7 C8 SINGLE 1.512 0.020 DO3 C9 C10 SINGLE 1.527 0.012 DO3 C9 O2 DOUBLE 1.247 0.019 DO3 C11 C12 SINGLE 1.527 0.012 DO3 C11 O4 DOUBLE 1.247 0.019 DO3 C13 C14 SINGLE 1.527 0.012 DO3 C13 O6 DOUBLE 1.247 0.019 DO3 C15 C16 SINGLE 1.519 0.010 DO3 C15 C17 SINGLE 1.519 0.010 DO3 O7 HO7 SINGLE 0.848 0.020 DO3 C1 HC11 SINGLE 0.980 0.015 DO3 C1 HC12 SINGLE 0.980 0.015 DO3 C2 HC21 SINGLE 0.980 0.015 DO3 C2 HC22 SINGLE 0.980 0.015 DO3 C3 HC31 SINGLE 0.980 0.015 DO3 C3 HC32 SINGLE 0.980 0.015 DO3 C4 HC41 SINGLE 0.980 0.015 DO3 C4 HC42 SINGLE 0.980 0.015 DO3 C5 HC51 SINGLE 0.980 0.015 DO3 C5 HC52 SINGLE 0.980 0.015 DO3 C6 HC61 SINGLE 0.980 0.015 DO3 C6 HC62 SINGLE 0.980 0.015 DO3 C7 HC71 SINGLE 0.980 0.015 DO3 C7 HC72 SINGLE 0.980 0.015 DO3 C8 HC81 SINGLE 0.980 0.015 DO3 C8 HC82 SINGLE 0.980 0.015 DO3 C10 H101 SINGLE 0.971 0.020 DO3 C10 H102 SINGLE 0.971 0.020 DO3 C12 H121 SINGLE 0.971 0.020 DO3 C12 H122 SINGLE 0.971 0.020 DO3 C14 H141 SINGLE 0.971 0.020 DO3 C14 H142 SINGLE 0.971 0.020 DO3 C15 HA SINGLE 0.997 0.010 DO3 C16 H161 SINGLE 0.985 0.016 DO3 C16 H162 SINGLE 0.985 0.016 DO3 C17 H171 SINGLE 0.974 0.015 DO3 C17 H172 SINGLE 0.974 0.015 DO3 C17 H173 SINGLE 0.974 0.015 # # loop_ _chem_comp_angle.comp_id _chem_comp_angle.atom_id_1 _chem_comp_angle.atom_id_2 _chem_comp_angle.atom_id_3 _chem_comp_angle.value_angle _chem_comp_angle.value_angle_esd DO3 C1 N1 C8 112.482 2.920 DO3 C1 N1 C10 112.657 1.500 DO3 C8 N1 C10 112.657 1.500 DO3 C2 N2 C3 112.482 2.920 DO3 C2 N2 C12 112.657 1.500 DO3 C3 N2 C12 112.657 1.500 DO3 C4 N3 C5 112.482 2.920 DO3 C4 N3 C14 112.657 1.500 DO3 C5 N3 C14 112.657 1.500 DO3 C6 N4 C7 112.482 2.920 DO3 C6 N4 C16 113.154 2.180 DO3 C7 N4 C16 113.154 2.180 DO3 C15 O7 HO7 108.707 1.880 DO3 N1 C1 C2 113.220 1.920 DO3 N1 C1 HC11 109.110 1.500 DO3 N1 C1 HC12 109.110 1.500 DO3 C2 C1 HC11 108.926 1.500 DO3 C2 C1 HC12 108.926 1.500 DO3 HC11 C1 HC12 107.844 1.500 DO3 N2 C2 C1 113.220 1.920 DO3 N2 C2 HC21 109.110 1.500 DO3 N2 C2 HC22 109.110 1.500 DO3 C1 C2 HC21 108.926 1.500 DO3 C1 C2 HC22 108.926 1.500 DO3 HC21 C2 HC22 107.844 1.500 DO3 N2 C3 C4 113.220 1.920 DO3 N2 C3 HC31 109.110 1.500 DO3 N2 C3 HC32 109.110 1.500 DO3 C4 C3 HC31 108.926 1.500 DO3 C4 C3 HC32 108.926 1.500 DO3 HC31 C3 HC32 107.844 1.500 DO3 N3 C4 C3 113.220 1.920 DO3 N3 C4 HC41 109.110 1.500 DO3 N3 C4 HC42 109.110 1.500 DO3 C3 C4 HC41 108.926 1.500 DO3 C3 C4 HC42 108.926 1.500 DO3 HC41 C4 HC42 107.844 1.500 DO3 N3 C5 C6 113.220 1.920 DO3 N3 C5 HC51 109.110 1.500 DO3 N3 C5 HC52 109.110 1.500 DO3 C6 C5 HC51 108.926 1.500 DO3 C6 C5 HC52 108.926 1.500 DO3 HC51 C5 HC52 107.844 1.500 DO3 N4 C6 C5 113.220 1.920 DO3 N4 C6 HC61 109.110 1.500 DO3 N4 C6 HC62 109.110 1.500 DO3 C5 C6 HC61 108.926 1.500 DO3 C5 C6 HC62 108.926 1.500 DO3 HC61 C6 HC62 107.844 1.500 DO3 N4 C7 C8 113.220 1.920 DO3 N4 C7 HC71 109.110 1.500 DO3 N4 C7 HC72 109.110 1.500 DO3 C8 C7 HC71 108.926 1.500 DO3 C8 C7 HC72 108.926 1.500 DO3 HC71 C7 HC72 107.844 1.500 DO3 N1 C8 C7 113.220 1.920 DO3 N1 C8 HC81 109.110 1.500 DO3 N1 C8 HC82 109.110 1.500 DO3 C7 C8 HC81 108.926 1.500 DO3 C7 C8 HC82 108.926 1.500 DO3 HC81 C8 HC82 107.844 1.500 DO3 O1 C9 C10 117.146 1.780 DO3 O1 C9 O2 125.708 1.500 DO3 C10 C9 O2 117.146 1.780 DO3 N1 C10 C9 112.134 2.590 DO3 N1 C10 H101 108.627 1.500 DO3 N1 C10 H102 108.627 1.500 DO3 C9 C10 H101 108.544 1.500 DO3 C9 C10 H102 108.544 1.500 DO3 H101 C10 H102 107.487 1.500 DO3 O3 C11 C12 117.146 1.780 DO3 O3 C11 O4 125.708 1.500 DO3 C12 C11 O4 117.146 1.780 DO3 N2 C12 C11 112.134 2.590 DO3 N2 C12 H121 108.627 1.500 DO3 N2 C12 H122 108.627 1.500 DO3 C11 C12 H121 108.544 1.500 DO3 C11 C12 H122 108.544 1.500 DO3 H121 C12 H122 107.487 1.500 DO3 O5 C13 C14 117.146 1.780 DO3 O5 C13 O6 125.708 1.500 DO3 C14 C13 O6 117.146 1.780 DO3 N3 C14 C13 112.134 2.590 DO3 N3 C14 H141 108.627 1.500 DO3 N3 C14 H142 108.627 1.500 DO3 C13 C14 H141 108.544 1.500 DO3 C13 C14 H142 108.544 1.500 DO3 H141 C14 H142 107.487 1.500 DO3 O7 C15 C16 109.290 2.070 DO3 O7 C15 C17 110.466 2.070 DO3 O7 C15 HA 108.535 1.500 DO3 C16 C15 C17 112.758 1.500 DO3 C16 C15 HA 108.552 1.500 DO3 C17 C15 HA 108.424 1.500 DO3 N4 C16 C15 112.438 2.650 DO3 N4 C16 H161 109.034 1.500 DO3 N4 C16 H162 109.034 1.500 DO3 C15 C16 H161 108.725 1.500 DO3 C15 C16 H162 108.725 1.500 DO3 H161 C16 H162 107.873 1.500 DO3 C15 C17 H171 109.488 1.500 DO3 C15 C17 H172 109.488 1.500 DO3 C15 C17 H173 109.488 1.500 DO3 H171 C17 H172 109.425 1.500 DO3 H171 C17 H173 109.425 1.500 DO3 H172 C17 H173 109.425 1.500 # # loop_ _chem_comp_tor.comp_id _chem_comp_tor.id _chem_comp_tor.atom_id_1 _chem_comp_tor.atom_id_2 _chem_comp_tor.atom_id_3 _chem_comp_tor.atom_id_4 _chem_comp_tor.value_angle _chem_comp_tor.value_angle_esd _chem_comp_tor.period sp3_sp3_7 DO3 C7 C8 N1 C1 180.000 10.000 3 sp3_sp3_14 DO3 C9 C10 N1 C1 -60.000 10.000 3 sp3_sp3_2 DO3 C2 C1 N1 C8 -60.000 10.000 3 sp3_sp3_85 DO3 N2 C3 C4 N3 180.000 10.000 3 sp3_sp3_94 DO3 N3 C5 C6 N4 180.000 10.000 3 sp3_sp3_103 DO3 N4 C7 C8 N1 180.000 10.000 3 sp2_sp3_2 DO3 O1 C9 C10 N1 120.000 10.000 6 sp2_sp3_8 DO3 O3 C11 C12 N2 120.000 10.000 6 sp3_sp3_25 DO3 C4 C3 N2 C2 180.000 10.000 3 sp3_sp3_31 DO3 C11 C12 N2 C2 180.000 10.000 3 sp3_sp3_19 DO3 C1 C2 N2 C3 180.000 10.000 3 sp2_sp3_14 DO3 O5 C13 C14 N3 120.000 10.000 6 sp3_sp3_112 DO3 O7 C15 C16 N4 180.000 10.000 3 sp3_sp3_124 DO3 O7 C15 C17 H171 60.000 10.000 3 sp3_sp3_37 DO3 C3 C4 N3 C5 180.000 10.000 3 sp3_sp3_43 DO3 C6 C5 N3 C4 180.000 10.000 3 sp3_sp3_49 DO3 C13 C14 N3 C4 180.000 10.000 3 sp3_sp3_55 DO3 C5 C6 N4 C7 180.000 10.000 3 sp3_sp3_61 DO3 C8 C7 N4 C6 180.000 10.000 3 sp3_sp3_67 DO3 C15 C16 N4 C6 180.000 10.000 3 sp3_sp3_74 DO3 C16 C15 O7 HO7 60.000 10.000 3 sp3_sp3_76 DO3 N1 C1 C2 N2 180.000 10.000 3 # loop_ _chem_comp_chir.comp_id _chem_comp_chir.id _chem_comp_chir.atom_id _chem_comp_chir.volume_flag _chem_comp_chir.volume_three DO3 1 N1 nosign 2.1068 DO3 2 N3 sign 2.1068 DO3 3 C15 nosign 2.3878 loop_ _chem_comp_chir_atom.comp_id _chem_comp_chir_atom.chir_id _chem_comp_chir_atom.atom_id DO3 1 C10 DO3 1 C1 DO3 1 C8 DO3 2 C14 DO3 2 C4 DO3 2 C5 DO3 3 O7 DO3 3 C16 DO3 3 C17 # loop_ _chem_comp_plane_atom.comp_id _chem_comp_plane_atom.plane_id _chem_comp_plane_atom.atom_id _chem_comp_plane_atom.dist_esd DO3 plan-1 C10 0.020 DO3 plan-1 C9 0.020 DO3 plan-1 O1 0.020 DO3 plan-1 O2 0.020 DO3 plan-2 C11 0.020 DO3 plan-2 C12 0.020 DO3 plan-2 O3 0.020 DO3 plan-2 O4 0.020 DO3 plan-3 C13 0.020 DO3 plan-3 C14 0.020 DO3 plan-3 O5 0.020 DO3 plan-3 O6 0.020 # data_link_SS loop_ _chem_link_bond.link_id _chem_link_bond.atom_1_comp_id _chem_link_bond.atom_id_1 _chem_link_bond.atom_2_comp_id _chem_link_bond.atom_id_2 _chem_link_bond.bond_type _chem_link_bond.value_dist _chem_link_bond.value_dist_esd SS 1 SG 2 SG single 2.031 0.020 # loop_ _chem_link_angle.link_id _chem_link_angle.atom_1_comp_id _chem_link_angle.atom_id_1 _chem_link_angle.atom_2_comp_id _chem_link_angle.atom_id_2 _chem_link_angle.atom_3_comp_id _chem_link_angle.atom_id_3 _chem_link_angle.value_angle _chem_link_angle.value_angle_esd SS 1 CB 1 SG 2 SG 103.800 1.800 SS 1 SG 2 SG 2 CB 103.800 1.800 # loop_ _chem_link_tor.link_id _chem_link_tor.atom_1_comp_id _chem_link_tor.atom_id_1 _chem_link_tor.atom_2_comp_id _chem_link_tor.atom_id_2 _chem_link_tor.atom_3_comp_id _chem_link_tor.atom_id_3 _chem_link_tor.atom_4_comp_id _chem_link_tor.atom_id_4 _chem_link_tor.value_angle _chem_link_tor.value_angle_esd _chem_link_tor.period SS 1 CB 1 SG 2 SG 2 CB 90.000 10.000 2 # data_mod_CYS-SS loop_ _chem_mod_atom.mod_id _chem_mod_atom.function _chem_mod_atom.atom_id _chem_mod_atom.new_atom_id _chem_mod_atom.new_type_symbol _chem_mod_atom.new_type_energy _chem_mod_atom.new_partial_charge CYS-SS delete HG . . . 0.000