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 13.457 _refine.aniso_B[1][1] 0.029 _refine.aniso_B[2][2] 0.029 _refine.aniso_B[3][3] -0.059 _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 1.200 _refine.ls_d_res_low 38.623 _refine.ls_number_reflns_R_work 28616 _refine.ls_number_reflns_R_free 2881 _refine.ls_number_reflns_obs 31497 _refine.ls_R_factor_R_work 0.1188 _refine.ls_R_factor_R_free 0.1242 _refine.ls_R_factor_all 0.119 _refine.ls_wR_factor_R_work 0.076 _refine.ls_wR_factor_R_free 0.081 _refine.ls_percent_reflns_obs 84.840 _refine.ls_percent_reflns_R_free 9.147 _refine.correlation_coeff_Fo_to_Fc 0.986 _refine.correlation_coeff_Fo_to_Fc_free 0.988 _refine.pdbx_overall_ESU_R 0.035 _refine.pdbx_overall_ESU_R_Free 0.034 _refine.overall_SU_ML 0.026 _refine.overall_SU_B 0.778 _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work 0.8460 _refine.pdbx_average_fsc_free 0.8475 _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 2.397 4920 99.8374 4467 0.063 0.064 445 0.068 0.065 0.992 0.993 'X-RAY DIFFRACTION' 4 2.397 1.696 8540 99.9532 7720 0.059 0.060 816 0.071 0.042 0.993 0.993 'X-RAY DIFFRACTION' 4 1.696 1.385 10884 99.6692 9848 0.199 0.201 1000 0.216 0.162 0.909 0.905 'X-RAY DIFFRACTION' 4 1.385 1.200 12774 56.3723 6581 0.402 0.402 620 0.402 0.392 0.480 0.460 '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 1.904 1.652 'X-RAY DIFFRACTION' r_angle_other_deg 2223 1.587 1.582 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 128 3.334 5.000 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 61 30.100 20.656 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 166 10.928 15.000 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 11 14.131 15.000 'X-RAY DIFFRACTION' r_chiral_restr 136 0.098 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 285 0.227 0.200 'X-RAY DIFFRACTION' r_symmetry_nbd_other 999 0.201 0.200 'X-RAY DIFFRACTION' r_nbtor_refined 542 0.179 0.200 'X-RAY DIFFRACTION' r_symmetry_nbtor_other 476 0.105 0.200 'X-RAY DIFFRACTION' r_xyhbond_nbd_refined 95 0.170 0.200 'X-RAY DIFFRACTION' r_metal_ion_refined 6 0.121 0.200 'X-RAY DIFFRACTION' r_symmetry_nbd_refined 12 0.229 0.200 'X-RAY DIFFRACTION' r_nbd_other 50 0.193 0.200 'X-RAY DIFFRACTION' r_symmetry_xyhbond_nbd_refined 10 0.202 0.200 'X-RAY DIFFRACTION' r_mcbond_it 514 0.621 1.296 'X-RAY DIFFRACTION' r_mcbond_other 514 0.621 1.296 'X-RAY DIFFRACTION' r_mcangle_it 642 0.722 1.946 'X-RAY DIFFRACTION' r_mcangle_other 643 0.721 1.948 'X-RAY DIFFRACTION' r_scbond_it 566 1.003 1.426 'X-RAY DIFFRACTION' r_scbond_other 567 1.002 1.426 'X-RAY DIFFRACTION' r_scangle_it 819 1.309 2.108 'X-RAY DIFFRACTION' r_scangle_other 820 1.309 2.108 'X-RAY DIFFRACTION' r_lrange_it 1365 3.454 16.828 'X-RAY DIFFRACTION' r_lrange_other 1337 3.207 16.423 '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 9.243 10.891 1.000 13.325 . 1 LYS AAA N . 1 ATOM 2 H H . LYS AAA 1 1 H . LYS 1 1.867 8.826 11.594 1.000 13.366 . 1 LYS AAA H c 1 ATOM 3 H H2 . LYS AAA 1 1 H2 . LYS 1 2.726 10.027 11.208 1.000 13.366 . 1 LYS AAA H2 c 1 ATOM 4 H H3 . LYS AAA 1 1 H3 . LYS 1 2.909 8.646 10.495 1.000 13.366 . 1 LYS AAA H3 c 1 ATOM 5 C CA . LYS AAA 1 1 CA . LYS 1 1.263 9.616 9.878 1.000 13.461 . 1 LYS AAA CA . 1 ATOM 6 H HA . LYS AAA 1 1 HA . LYS 1 1.470 9.138 9.042 1.000 13.356 . 1 LYS AAA HA c 1 ATOM 7 C CB A LYS AAA 1 1 CB . LYS 1 -0.146 9.231 10.334 0.500 13.356 . 1 LYS AAA CB . 1 ATOM 8 H HB3 . LYS AAA 1 1 HB3 . LYS 1 -0.287 9.593 11.234 0.500 13.302 . 1 LYS AAA HB3 c 1 ATOM 9 H HB2 . LYS AAA 1 1 HB2 . LYS 1 -0.193 8.254 10.397 0.500 13.302 . 1 LYS AAA HB2 c 1 ATOM 10 C CG A LYS AAA 1 1 CG . LYS 1 -1.278 9.708 9.448 0.500 13.026 . 1 LYS AAA CG . 1 ATOM 11 H HG3 . LYS AAA 1 1 HG3 . LYS 1 -1.092 9.435 8.524 0.500 13.151 . 1 LYS AAA HG3 c 1 ATOM 12 H HG2 . LYS AAA 1 1 HG2 . LYS 1 -1.309 10.688 9.471 0.500 13.151 . 1 LYS AAA HG2 c 1 ATOM 13 C CD A LYS AAA 1 1 CD . LYS 1 -2.636 9.166 9.858 0.500 13.230 . 1 LYS AAA CD . 1 ATOM 14 H HD3 . LYS AAA 1 1 HD3 . LYS 1 -2.837 9.444 10.777 0.500 13.260 . 1 LYS AAA HD3 c 1 ATOM 15 H HD2 . LYS AAA 1 1 HD2 . LYS 1 -2.622 8.186 9.825 0.500 13.259 . 1 LYS AAA HD2 c 1 ATOM 16 C CE A LYS AAA 1 1 CE . LYS 1 -3.709 9.682 8.932 0.500 13.561 . 1 LYS AAA CE . 1 ATOM 17 H HE3 . LYS AAA 1 1 HE3 . LYS 1 -3.665 10.657 8.891 0.500 13.368 . 1 LYS AAA HE3 c 1 ATOM 18 H HE2 . LYS AAA 1 1 HE2 . LYS 1 -4.587 9.432 9.276 0.500 13.368 . 1 LYS AAA HE2 c 1 ATOM 19 N NZ A LYS AAA 1 1 NZ . LYS 1 -3.553 9.135 7.563 0.500 13.076 . 1 LYS AAA NZ . 1 ATOM 20 H HZ1 . LYS AAA 1 1 HZ1 . LYS 1 -2.746 9.376 7.226 0.500 13.224 . 1 LYS AAA HZ1 c 1 ATOM 21 H HZ2 . LYS AAA 1 1 HZ2 . LYS 1 -4.208 9.460 7.026 0.500 13.224 . 1 LYS AAA HZ2 c 1 ATOM 22 H HZ3 . LYS AAA 1 1 HZ3 . LYS 1 -3.608 8.230 7.585 0.500 13.224 . 1 LYS AAA HZ3 c 1 ATOM 23 C C . LYS AAA 1 1 C . LYS 1 1.329 11.130 9.617 1.000 13.155 . 1 LYS AAA C . 1 ATOM 24 O O . LYS AAA 1 1 O . LYS 1 1.287 11.944 10.543 1.000 13.177 . 1 LYS AAA O . 1 ATOM 26 N N . VAL AAA 1 2 N . VAL 2 1.392 11.516 8.362 1.000 13.477 . 2 VAL AAA N . 1 ATOM 27 H H . VAL AAA 1 2 H . VAL 2 1.449 10.944 7.656 1.000 13.193 . 2 VAL AAA H c 1 ATOM 28 C CA . VAL AAA 1 2 CA . VAL 2 1.374 12.958 7.991 1.000 12.606 . 2 VAL AAA CA . 1 ATOM 29 H HA . VAL AAA 1 2 HA . VAL 2 1.526 13.494 8.787 1.000 13.210 . 2 VAL AAA HA c 1 ATOM 30 C CB . VAL AAA 1 2 CB . VAL 2 2.430 13.318 6.943 1.000 14.001 . 2 VAL AAA CB . 1 ATOM 31 H HB . VAL AAA 1 2 HB . VAL 2 2.286 12.747 6.149 1.000 14.048 . 2 VAL AAA HB c 1 ATOM 32 C CG1 . VAL AAA 1 2 CG1 . VAL 2 2.303 14.763 6.528 1.000 14.856 . 2 VAL AAA CG1 . 1 ATOM 33 H HG11 . VAL AAA 1 2 HG11 . VAL 2 1.457 14.898 6.066 1.000 14.586 . 2 VAL AAA HG11 c 1 ATOM 34 H HG12 . VAL AAA 1 2 HG12 . VAL 2 3.037 14.994 5.932 1.000 14.588 . 2 VAL AAA HG12 c 1 ATOM 35 H HG13 . VAL AAA 1 2 HG13 . VAL 2 2.335 15.332 7.317 1.000 14.588 . 2 VAL AAA HG13 c 1 ATOM 36 C CG2 . VAL AAA 1 2 CG2 . VAL 2 3.801 13.040 7.493 1.000 14.916 . 2 VAL AAA CG2 . 1 ATOM 37 H HG21 . VAL AAA 1 2 HG21 . VAL 2 3.937 13.560 8.304 1.000 14.629 . 2 VAL AAA HG21 c 1 ATOM 38 H HG22 . VAL AAA 1 2 HG22 . VAL 2 4.471 13.289 6.833 1.000 14.629 . 2 VAL AAA HG22 c 1 ATOM 39 H HG23 . VAL AAA 1 2 HG23 . VAL 2 3.884 12.093 7.697 1.000 14.627 . 2 VAL AAA HG23 c 1 ATOM 40 C C . VAL AAA 1 2 C . VAL 2 -0.041 13.217 7.472 1.000 13.585 . 2 VAL AAA C . 1 ATOM 41 O O . VAL AAA 1 2 O . VAL 2 -0.425 12.738 6.380 1.000 12.435 . 2 VAL AAA O . 1 ATOM 43 N N . PHE AAA 1 3 N . PHE 3 -0.800 13.985 8.223 1.000 14.022 . 3 PHE AAA N . 1 ATOM 44 H H . PHE AAA 1 3 H . PHE 3 -0.519 14.394 8.987 1.000 13.630 . 3 PHE AAA H c 1 ATOM 45 C CA . PHE AAA 1 3 CA . PHE 3 -2.208 14.270 7.893 1.000 12.856 . 3 PHE AAA CA . 1 ATOM 46 H HA . PHE AAA 1 3 HA . PHE 3 -2.643 13.443 7.560 1.000 13.353 . 3 PHE AAA HA c 1 ATOM 47 C CB . PHE AAA 1 3 CB . PHE 3 -2.989 14.805 9.094 1.000 13.109 . 3 PHE AAA CB . 1 ATOM 48 H HB3 . PHE AAA 1 3 HB3 . PHE 3 -3.744 15.334 8.760 1.000 13.167 . 3 PHE AAA HB3 c 1 ATOM 49 H HB2 . PHE AAA 1 3 HB2 . PHE 3 -2.405 15.408 9.599 1.000 13.168 . 3 PHE AAA HB2 c 1 ATOM 50 C CG . PHE AAA 1 3 CG . PHE 3 -3.512 13.760 10.018 1.000 13.623 . 3 PHE AAA CG . 1 ATOM 51 C CD1 . PHE AAA 1 3 CD1 . PHE 3 -2.643 13.048 10.846 1.000 13.078 . 3 PHE AAA CD1 . 1 ATOM 52 H HD1 . PHE AAA 1 3 HD1 . PHE 3 -1.719 13.241 10.829 1.000 13.348 . 3 PHE AAA HD1 c 1 ATOM 53 C CE1 . PHE AAA 1 3 CE1 . PHE 3 -3.138 12.088 11.733 1.000 13.602 . 3 PHE AAA CE1 . 1 ATOM 54 H HE1 . PHE AAA 1 3 HE1 . PHE 3 -2.542 11.611 12.286 1.000 13.408 . 3 PHE AAA HE1 c 1 ATOM 55 C CZ . PHE AAA 1 3 CZ . PHE 3 -4.490 11.800 11.775 1.000 13.266 . 3 PHE AAA CZ . 1 ATOM 56 H HZ . PHE AAA 1 3 HZ . PHE 3 -4.822 11.140 12.363 1.000 13.570 . 3 PHE AAA HZ c 1 ATOM 57 C CD2 . PHE AAA 1 3 CD2 . PHE 3 -4.873 13.464 10.072 1.000 13.596 . 3 PHE AAA CD2 . 1 ATOM 58 H HD2 . PHE AAA 1 3 HD2 . PHE 3 -5.475 13.935 9.519 1.000 13.727 . 3 PHE AAA HD2 c 1 ATOM 59 C CE2 . PHE AAA 1 3 CE2 . PHE 3 -5.350 12.497 10.944 1.000 14.284 . 3 PHE AAA CE2 . 1 ATOM 60 H HE2 . PHE AAA 1 3 HE2 . PHE 3 -6.275 12.312 10.971 1.000 13.840 . 3 PHE AAA HE2 c 1 ATOM 61 C C . PHE AAA 1 3 C . PHE 3 -2.297 15.356 6.817 1.000 14.110 . 3 PHE AAA C . 1 ATOM 62 O O . PHE AAA 1 3 O . PHE 3 -1.414 16.218 6.679 1.000 13.389 . 3 PHE AAA O . 1 ATOM 64 N N . GLY AAA 1 4 N . GLY 4 -3.402 15.297 6.065 1.000 13.648 . 4 GLY AAA N . 1 ATOM 65 H H . GLY AAA 1 4 H . GLY 4 -3.996 14.608 6.104 1.000 13.564 . 4 GLY AAA H c 1 ATOM 66 C CA . GLY AAA 1 4 CA . GLY 4 -3.720 16.347 5.111 1.000 12.885 . 4 GLY AAA CA . 1 ATOM 67 H HA3 . GLY AAA 1 4 HA3 . GLY 4 -4.350 16.010 4.428 1.000 13.092 . 4 GLY AAA HA3 c 1 ATOM 68 H HA2 . GLY AAA 1 4 HA2 . GLY 4 -2.895 16.686 4.680 1.000 13.094 . 4 GLY AAA HA2 c 1 ATOM 69 C C . GLY AAA 1 4 C . GLY 4 -4.362 17.417 5.948 1.000 13.014 . 4 GLY AAA C . 1 ATOM 70 O O . GLY AAA 1 4 O . GLY 4 -4.842 17.078 7.037 1.000 12.759 . 4 GLY AAA O . 1 ATOM 72 N N . ARG AAA 1 5 N . ARG 5 -4.364 18.650 5.480 1.000 12.114 . 5 ARG AAA N . 1 ATOM 73 H H . ARG AAA 1 5 H . ARG 5 -4.012 18.894 4.675 1.000 12.432 . 5 ARG AAA H c 1 ATOM 74 C CA . ARG AAA 1 5 CA . ARG 5 -4.970 19.745 6.284 1.000 12.579 . 5 ARG AAA CA . 1 ATOM 75 H HA . ARG AAA 1 5 HA . ARG 5 -4.451 19.850 7.114 1.000 12.476 . 5 ARG AAA HA c 1 ATOM 76 C CB . ARG AAA 1 5 CB . ARG 5 -4.872 21.036 5.464 1.000 12.495 . 5 ARG AAA CB . 1 ATOM 77 H HB3 . ARG AAA 1 5 HB3 . ARG 5 -5.337 20.899 4.612 1.000 13.055 . 5 ARG AAA HB3 c 1 ATOM 78 H HB2 . ARG AAA 1 5 HB2 . ARG 5 -3.929 21.209 5.267 1.000 13.070 . 5 ARG AAA HB2 c 1 ATOM 79 C CG . ARG AAA 1 5 CG . ARG 5 -5.460 22.254 6.152 1.000 14.890 . 5 ARG AAA CG . 1 ATOM 80 H HG3 . ARG AAA 1 5 HG3 . ARG 5 -5.066 22.352 7.045 1.000 14.395 . 5 ARG AAA HG3 c 1 ATOM 81 H HG2 . ARG AAA 1 5 HG2 . ARG 5 -6.430 22.145 6.252 1.000 14.392 . 5 ARG AAA HG2 c 1 ATOM 82 C CD . ARG AAA 1 5 CD . ARG 5 -5.175 23.511 5.329 1.000 15.377 . 5 ARG AAA CD . 1 ATOM 83 H HD3 . ARG AAA 1 5 HD3 . ARG 5 -4.205 23.619 5.245 1.000 15.796 . 5 ARG AAA HD3 c 1 ATOM 84 H HD2 . ARG AAA 1 5 HD2 . ARG 5 -5.520 24.297 5.802 1.000 15.799 . 5 ARG AAA HD2 c 1 ATOM 85 N NE . ARG AAA 1 5 NE . ARG 5 -5.757 23.448 3.996 1.000 17.790 . 5 ARG AAA NE . 1 ATOM 86 H HE . ARG AAA 1 5 HE . ARG 5 -5.247 23.173 3.345 1.000 16.925 . 5 ARG AAA HE c 1 ATOM 87 C CZ . ARG AAA 1 5 CZ . ARG 5 -7.007 23.830 3.687 1.000 16.664 . 5 ARG AAA CZ . 1 ATOM 88 N NH1 . ARG AAA 1 5 NH1 . ARG 5 -7.812 24.260 4.630 1.000 16.335 . 5 ARG AAA NH1 . 1 ATOM 89 H HH11 . ARG AAA 1 5 HH11 . ARG 5 -7.534 24.315 5.457 1.000 16.474 . 5 ARG AAA HH11 c 1 ATOM 90 H HH12 . ARG AAA 1 5 HH12 . ARG 5 -8.633 24.501 4.427 1.000 16.478 . 5 ARG AAA HH12 c 1 ATOM 91 N NH2 . ARG AAA 1 5 NH2 . ARG 5 -7.457 23.751 2.433 1.000 17.589 . 5 ARG AAA NH2 . 1 ATOM 92 H HH21 . ARG AAA 1 5 HH21 . ARG 5 -6.926 23.458 1.794 1.000 17.239 . 5 ARG AAA HH21 c 1 ATOM 93 H HH22 . ARG AAA 1 5 HH22 . ARG 5 -8.283 23.993 2.245 1.000 17.239 . 5 ARG AAA HH22 c 1 ATOM 94 C C . ARG AAA 1 5 C . ARG 5 -6.440 19.432 6.646 1.000 12.595 . 5 ARG AAA C . 1 ATOM 95 O O . ARG AAA 1 5 O . ARG 5 -6.821 19.477 7.824 1.000 13.129 . 5 ARG AAA O . 1 ATOM 97 N N . CYS AAA 1 6 N . CYS 6 -7.298 19.197 5.667 1.000 12.829 . 6 CYS AAA N . 1 ATOM 98 H H . CYS AAA 1 6 H . CYS 6 -7.086 19.178 4.781 1.000 12.895 . 6 CYS AAA H c 1 ATOM 99 C CA . CYS AAA 1 6 CA . CYS 6 -8.752 18.929 5.947 1.000 13.313 . 6 CYS AAA CA . 1 ATOM 100 H HA . CYS AAA 1 6 HA . CYS 6 -9.087 19.660 6.512 1.000 13.233 . 6 CYS AAA HA c 1 ATOM 101 C CB . CYS AAA 1 6 CB . CYS 6 -9.531 18.941 4.643 1.000 14.748 . 6 CYS AAA CB . 1 ATOM 102 H HB3 . CYS AAA 1 6 HB3 . CYS 6 -10.446 18.639 4.818 1.000 14.778 . 6 CYS AAA HB3 c 1 ATOM 103 H HB2 . CYS AAA 1 6 HB2 . CYS 6 -9.120 18.305 4.023 1.000 14.779 . 6 CYS AAA HB2 c 1 ATOM 104 S SG . CYS AAA 1 6 SG . CYS 6 -9.614 20.572 3.824 1.000 16.513 . 6 CYS AAA SG . 1 ATOM 105 C C . CYS AAA 1 6 C . CYS 6 -8.946 17.623 6.702 1.000 12.049 . 6 CYS AAA C . 1 ATOM 106 O O . CYS AAA 1 6 O . CYS 6 -9.882 17.499 7.476 1.000 12.341 . 6 CYS AAA O . 1 ATOM 108 N N . GLU AAA 1 7 N . GLU 7 -8.092 16.648 6.409 1.000 12.130 . 7 GLU AAA N . 1 ATOM 109 H H . GLU AAA 1 7 H . GLU 7 -7.446 16.723 5.770 1.000 12.156 . 7 GLU AAA H c 1 ATOM 110 C CA . GLU AAA 1 7 CA . GLU 7 -8.131 15.348 7.089 1.000 12.301 . 7 GLU AAA CA . 1 ATOM 111 H HA . GLU AAA 1 7 HA . GLU 7 -9.012 14.945 6.944 1.000 12.171 . 7 GLU AAA HA c 1 ATOM 112 C CB . GLU AAA 1 7 CB . GLU 7 -7.066 14.431 6.505 1.000 12.351 . 7 GLU AAA CB . 1 ATOM 113 H HB3 . GLU AAA 1 7 HB3 . GLU 7 -6.195 14.869 6.592 1.000 12.481 . 7 GLU AAA HB3 c 1 ATOM 114 H HB2 . GLU AAA 1 7 HB2 . GLU 7 -7.248 14.303 5.551 1.000 12.477 . 7 GLU AAA HB2 c 1 ATOM 115 C CG . GLU AAA 1 7 CG . GLU 7 -7.013 13.062 7.197 1.000 12.942 . 7 GLU AAA CG . 1 ATOM 116 H HG3 . GLU AAA 1 7 HG3 . GLU 7 -7.868 12.601 7.060 1.000 12.730 . 7 GLU AAA HG3 c 1 ATOM 117 H HG2 . GLU AAA 1 7 HG2 . GLU 7 -6.897 13.188 8.160 1.000 12.698 . 7 GLU AAA HG2 c 1 ATOM 118 C CD . GLU AAA 1 7 CD . GLU 7 -5.894 12.166 6.686 1.000 12.461 . 7 GLU AAA CD . 1 ATOM 119 O OE1 . GLU AAA 1 7 OE1 . GLU 7 -4.933 12.713 6.133 1.000 14.012 . 7 GLU AAA OE1 . 1 ATOM 120 O OE2 . GLU AAA 1 7 OE2 . GLU 7 -6.076 10.931 6.711 1.000 14.688 . 7 GLU AAA OE2 . 1 ATOM 121 C C . GLU AAA 1 7 C . GLU 7 -7.947 15.585 8.583 1.000 11.748 . 7 GLU AAA C . 1 ATOM 122 O O . GLU AAA 1 7 O . GLU 7 -8.684 15.012 9.378 1.000 12.381 . 7 GLU AAA O . 1 ATOM 124 N N . LEU AAA 1 8 N . LEU 8 -6.953 16.385 8.938 1.000 12.026 . 8 LEU AAA N . 1 ATOM 125 H H . LEU AAA 1 8 H . LEU 8 -6.400 16.807 8.349 1.000 11.774 . 8 LEU AAA H c 1 ATOM 126 C CA . LEU AAA 1 8 CA . LEU 8 -6.672 16.636 10.364 1.000 11.248 . 8 LEU AAA CA . 1 ATOM 127 H HA . LEU AAA 1 8 HA . LEU 8 -6.619 15.770 10.828 1.000 11.254 . 8 LEU AAA HA c 1 ATOM 128 C CB . LEU AAA 1 8 CB . LEU 8 -5.371 17.410 10.566 1.000 11.246 . 8 LEU AAA CB . 1 ATOM 129 H HB3 . LEU AAA 1 8 HB3 . LEU 8 -5.441 18.260 10.089 1.000 11.533 . 8 LEU AAA HB3 c 1 ATOM 130 H HB2 . LEU AAA 1 8 HB2 . LEU 8 -4.643 16.901 10.158 1.000 11.538 . 8 LEU AAA HB2 c 1 ATOM 131 C CG . LEU AAA 1 8 CG . LEU 8 -5.006 17.699 12.022 1.000 12.511 . 8 LEU AAA CG . 1 ATOM 132 H HG . LEU AAA 1 8 HG . LEU 8 -5.719 18.256 12.420 1.000 11.874 . 8 LEU AAA HG c 1 ATOM 133 C CD1 . LEU AAA 1 8 CD1 . LEU 8 -4.886 16.413 12.842 1.000 11.740 . 8 LEU AAA CD1 . 1 ATOM 134 H HD11 . LEU AAA 1 8 HD11 . LEU 8 -5.758 15.987 12.912 1.000 11.969 . 8 LEU AAA HD11 c 1 ATOM 135 H HD12 . LEU AAA 1 8 HD12 . LEU 8 -4.559 16.626 13.734 1.000 11.971 . 8 LEU AAA HD12 c 1 ATOM 136 H HD13 . LEU AAA 1 8 HD13 . LEU 8 -4.263 15.806 12.405 1.000 11.971 . 8 LEU AAA HD13 c 1 ATOM 137 C CD2 . LEU AAA 1 8 CD2 . LEU 8 -3.694 18.479 12.091 1.000 11.282 . 8 LEU AAA CD2 . 1 ATOM 138 H HD21 . LEU AAA 1 8 HD21 . LEU 8 -2.983 17.956 11.683 1.000 11.647 . 8 LEU AAA HD21 c 1 ATOM 139 H HD22 . LEU AAA 1 8 HD22 . LEU 8 -3.471 18.659 13.021 1.000 11.647 . 8 LEU AAA HD22 c 1 ATOM 140 H HD23 . LEU AAA 1 8 HD23 . LEU 8 -3.792 19.321 11.613 1.000 11.647 . 8 LEU AAA HD23 c 1 ATOM 141 C C . LEU AAA 1 8 C . LEU 8 -7.814 17.441 10.953 1.000 10.519 . 8 LEU AAA C . 1 ATOM 142 O O . LEU AAA 1 8 O . LEU 8 -8.210 17.150 12.099 1.000 11.921 . 8 LEU AAA O . 1 ATOM 144 N N . ALA AAA 1 9 N . ALA 9 -8.333 18.420 10.214 1.000 12.510 . 9 ALA AAA N . 1 ATOM 145 H H . ALA AAA 1 9 H . ALA 9 -8.064 18.651 9.375 1.000 11.669 . 9 ALA AAA H c 1 ATOM 146 C CA . ALA AAA 1 9 CA . ALA 9 -9.434 19.251 10.739 1.000 11.065 . 9 ALA AAA CA . 1 ATOM 147 H HA . ALA AAA 1 9 HA . ALA 9 -9.128 19.700 11.562 1.000 11.606 . 9 ALA AAA HA c 1 ATOM 148 C CB . ALA AAA 1 9 CB . ALA 9 -9.841 20.305 9.718 1.000 11.700 . 9 ALA AAA CB . 1 ATOM 149 H HB3 . ALA AAA 1 9 HB3 . ALA 9 -10.137 19.869 8.901 1.000 11.501 . 9 ALA AAA HB3 c 1 ATOM 150 H HB2 . ALA AAA 1 9 HB2 . ALA 9 -9.081 20.878 9.521 1.000 11.501 . 9 ALA AAA HB2 c 1 ATOM 151 H HB1 . ALA AAA 1 9 HB1 . ALA 9 -10.567 20.842 10.077 1.000 11.501 . 9 ALA AAA HB1 c 1 ATOM 152 C C . ALA AAA 1 9 C . ALA 9 -10.617 18.354 11.080 1.000 11.891 . 9 ALA AAA C . 1 ATOM 153 O O . ALA AAA 1 9 O . ALA 9 -11.251 18.522 12.124 1.000 11.277 . 9 ALA AAA O . 1 ATOM 155 N N . ALA AAA 1 10 N . ALA 10 -10.944 17.420 10.186 1.000 11.950 . 10 ALA AAA N . 1 ATOM 156 H H . ALA AAA 1 10 H . ALA 10 -10.517 17.284 9.392 1.000 11.952 . 10 ALA AAA H c 1 ATOM 157 C CA . ALA AAA 1 10 CA . ALA 10 -12.067 16.513 10.411 1.000 12.022 . 10 ALA AAA CA . 1 ATOM 158 H HA . ALA AAA 1 10 HA . ALA 10 -12.876 17.050 10.578 1.000 11.896 . 10 ALA AAA HA c 1 ATOM 159 C CB . ALA AAA 1 10 CB . ALA 10 -12.275 15.688 9.146 1.000 11.422 . 10 ALA AAA CB . 1 ATOM 160 H HB3 . ALA AAA 1 10 HB3 . ALA 10 -11.475 15.168 8.960 1.000 11.605 . 10 ALA AAA HB3 c 1 ATOM 161 H HB2 . ALA AAA 1 10 HB2 . ALA 10 -12.456 16.281 8.397 1.000 11.604 . 10 ALA AAA HB2 c 1 ATOM 162 H HB1 . ALA AAA 1 10 HB1 . ALA 10 -13.029 15.087 9.270 1.000 11.604 . 10 ALA AAA HB1 c 1 ATOM 163 C C . ALA AAA 1 10 C . ALA 10 -11.797 15.644 11.640 1.000 11.940 . 10 ALA AAA C . 1 ATOM 164 O O . ALA AAA 1 10 O . ALA 10 -12.716 15.409 12.436 1.000 11.756 . 10 ALA AAA O . 1 ATOM 166 N N . ALA AAA 1 11 N . ALA 11 -10.574 15.147 11.809 1.000 12.114 . 11 ALA AAA N . 1 ATOM 167 H H . ALA AAA 1 11 H . ALA 11 -9.866 15.299 11.256 1.000 12.114 . 11 ALA AAA H c 1 ATOM 168 C CA . ALA AAA 1 11 CA . ALA 11 -10.254 14.263 12.956 1.000 12.289 . 11 ALA AAA CA . 1 ATOM 169 H HA . ALA AAA 1 11 HA . ALA 11 -10.907 13.526 12.982 1.000 12.245 . 11 ALA AAA HA c 1 ATOM 170 C CB . ALA AAA 1 11 CB . ALA 11 -8.853 13.684 12.799 1.000 12.351 . 11 ALA AAA CB . 1 ATOM 171 H HB3 . ALA AAA 1 11 HB3 . ALA 11 -8.205 14.407 12.763 1.000 12.335 . 11 ALA AAA HB3 c 1 ATOM 172 H HB2 . ALA AAA 1 11 HB2 . ALA 11 -8.805 13.167 11.978 1.000 12.343 . 11 ALA AAA HB2 c 1 ATOM 173 H HB1 . ALA AAA 1 11 HB1 . ALA 11 -8.653 13.108 13.555 1.000 12.335 . 11 ALA AAA HB1 c 1 ATOM 174 C C . ALA AAA 1 11 C . ALA 11 -10.366 15.071 14.251 1.000 12.118 . 11 ALA AAA C . 1 ATOM 175 O O . ALA AAA 1 11 O . ALA 11 -10.906 14.559 15.251 1.000 12.300 . 11 ALA AAA O . 1 ATOM 177 N N . MET AAA 1 12 N . MET 12 -9.860 16.314 14.247 1.000 11.930 . 12 MET AAA N . 1 ATOM 178 H H . MET AAA 1 12 H . MET 12 -9.476 16.709 13.521 1.000 12.119 . 12 MET AAA H c 1 ATOM 179 C CA . MET AAA 1 12 CA . MET 12 -9.893 17.130 15.471 1.000 12.537 . 12 MET AAA CA . 1 ATOM 180 H HA . MET AAA 1 12 HA . MET 12 -9.513 16.605 16.213 1.000 12.504 . 12 MET AAA HA c 1 ATOM 181 C CB . MET AAA 1 12 CB . MET 12 -9.096 18.409 15.281 1.000 13.090 . 12 MET AAA CB . 1 ATOM 182 H HB3 . MET AAA 1 12 HB3 . MET 12 -9.284 19.011 16.029 1.000 12.840 . 12 MET AAA HB3 c 1 ATOM 183 H HB2 . MET AAA 1 12 HB2 . MET 12 -9.399 18.848 14.462 1.000 12.833 . 12 MET AAA HB2 c 1 ATOM 184 C CG . MET AAA 1 12 CG . MET 12 -7.593 18.181 15.195 1.000 12.601 . 12 MET AAA CG . 1 ATOM 185 H HG3 . MET AAA 1 12 HG3 . MET 12 -7.389 17.556 14.468 1.000 12.672 . 12 MET AAA HG3 c 1 ATOM 186 H HG2 . MET AAA 1 12 HG2 . MET 12 -7.265 17.800 16.038 1.000 12.673 . 12 MET AAA HG2 c 1 ATOM 187 S SD . MET AAA 1 12 SD . MET 12 -6.775 19.757 14.887 1.000 12.431 . 12 MET AAA SD . 1 ATOM 188 C CE . MET AAA 1 12 CE . MET 12 -5.145 19.476 15.594 1.000 14.009 . 12 MET AAA CE . 1 ATOM 189 H HE3 . MET AAA 1 12 HE3 . MET 12 -4.725 18.730 15.147 1.000 13.501 . 12 MET AAA HE3 c 1 ATOM 190 H HE2 . MET AAA 1 12 HE2 . MET 12 -5.233 19.279 16.535 1.000 13.501 . 12 MET AAA HE2 c 1 ATOM 191 H HE1 . MET AAA 1 12 HE1 . MET 12 -4.604 20.266 15.479 1.000 13.493 . 12 MET AAA HE1 c 1 ATOM 192 C C . MET AAA 1 12 C . MET 12 -11.334 17.499 15.807 1.000 12.448 . 12 MET AAA C . 1 ATOM 193 O O . MET AAA 1 12 O . MET 12 -11.686 17.506 17.010 1.000 12.818 . 12 MET AAA O . 1 ATOM 195 N N . LYS AAA 1 13 N . LYS 13 -12.167 17.760 14.799 1.000 12.731 . 13 LYS AAA N . 1 ATOM 196 H H . LYS AAA 1 13 H . LYS 13 -11.914 17.741 13.925 1.000 12.922 . 13 LYS AAA H c 1 ATOM 197 C CA . LYS AAA 1 13 CA . LYS 13 -13.597 18.121 15.021 1.000 13.845 . 13 LYS AAA CA . 1 ATOM 198 H HA . LYS AAA 1 13 HA . LYS 13 -13.640 18.859 15.669 1.000 13.773 . 13 LYS AAA HA c 1 ATOM 199 C CB . LYS AAA 1 13 CB . LYS 13 -14.229 18.563 13.710 1.000 14.428 . 13 LYS AAA CB . 1 ATOM 200 H HB3 . LYS AAA 1 13 HB3 . LYS 13 -14.109 17.853 13.044 1.000 14.526 . 13 LYS AAA HB3 c 1 ATOM 201 H HB2 . LYS AAA 1 13 HB2 . LYS 13 -13.766 19.364 13.389 1.000 14.519 . 13 LYS AAA HB2 c 1 ATOM 202 C CG . LYS AAA 1 13 CG . LYS 13 -15.706 18.867 13.845 1.000 15.504 . 13 LYS AAA CG . 1 ATOM 203 H HG3 . LYS AAA 1 13 HG3 . LYS 13 -15.850 19.391 14.660 1.000 15.353 . 13 LYS AAA HG3 c 1 ATOM 204 H HG2 . LYS AAA 1 13 HG2 . LYS 13 -16.198 18.023 13.937 1.000 15.352 . 13 LYS AAA HG2 c 1 ATOM 205 C CD . LYS AAA 1 13 CD . LYS 13 -16.253 19.621 12.674 1.000 15.989 . 13 LYS AAA CD . 1 ATOM 206 H HD3 . LYS AAA 1 13 HD3 . LYS 13 -16.155 19.083 11.860 1.000 16.311 . 13 LYS AAA HD3 c 1 ATOM 207 H HD2 . LYS AAA 1 13 HD2 . LYS 13 -15.752 20.456 12.558 1.000 16.326 . 13 LYS AAA HD2 c 1 ATOM 208 C CE . LYS AAA 1 13 CE . LYS 13 -17.721 19.938 12.899 1.000 17.931 . 13 LYS AAA CE . 1 ATOM 209 H HE3 . LYS AAA 1 13 HE3 . LYS 13 -17.817 20.459 13.718 1.000 17.749 . 13 LYS AAA HE3 c 1 ATOM 210 H HE2 . LYS AAA 1 13 HE2 . LYS 13 -18.217 19.106 13.014 1.000 17.749 . 13 LYS AAA HE2 c 1 ATOM 211 N NZ . LYS AAA 1 13 NZ . LYS 13 -18.315 20.695 11.782 1.000 19.255 . 13 LYS AAA NZ . 1 ATOM 212 H HZ1 . LYS AAA 1 13 HZ1 . LYS 13 -17.931 21.515 11.729 1.000 18.839 . 13 LYS AAA HZ1 c 1 ATOM 213 H HZ2 . LYS AAA 1 13 HZ2 . LYS 13 -19.207 20.792 11.916 1.000 18.839 . 13 LYS AAA HZ2 c 1 ATOM 214 H HZ3 . LYS AAA 1 13 HZ3 . LYS 13 -18.177 20.253 11.005 1.000 18.842 . 13 LYS AAA HZ3 c 1 ATOM 215 C C . LYS AAA 1 13 C . LYS 13 -14.316 16.908 15.593 1.000 14.046 . 13 LYS AAA C . 1 ATOM 216 O O . LYS AAA 1 13 O . LYS 13 -15.087 17.040 16.564 1.000 13.234 . 13 LYS AAA O . 1 ATOM 218 N N . ARG AAA 1 14 N . ARG 14 -14.056 15.738 15.029 1.000 13.870 . 14 ARG AAA N . 1 ATOM 219 H H . ARG AAA 1 14 H . ARG 14 -13.495 15.636 14.319 1.000 13.965 . 14 ARG AAA H c 1 ATOM 220 C CA . ARG AAA 1 14 CA . ARG 14 -14.680 14.489 15.513 1.000 14.086 . 14 ARG AAA CA . 1 ATOM 221 H HA . ARG AAA 1 14 HA . ARG 14 -15.656 14.615 15.469 1.000 14.292 . 14 ARG AAA HA c 1 ATOM 222 C CB . ARG AAA 1 14 CB . ARG 14 -14.322 13.339 14.580 1.000 15.352 . 14 ARG AAA CB . 1 ATOM 223 H HB3 . ARG AAA 1 14 HB3 . ARG 14 -13.345 13.282 14.520 1.000 15.184 . 14 ARG AAA HB3 c 1 ATOM 224 H HB2 . ARG AAA 1 14 HB2 . ARG 14 -14.664 13.545 13.686 1.000 15.184 . 14 ARG AAA HB2 c 1 ATOM 225 C CG . ARG AAA 1 14 CG . ARG 14 -14.863 11.985 15.008 1.000 15.963 . 14 ARG AAA CG . 1 ATOM 226 H HG3 . ARG AAA 1 14 HG3 . ARG 14 -15.809 12.074 15.251 1.000 15.793 . 14 ARG AAA HG3 c 1 ATOM 227 H HG2 . ARG AAA 1 14 HG2 . ARG 14 -14.373 11.671 15.798 1.000 15.780 . 14 ARG AAA HG2 c 1 ATOM 228 C CD . ARG AAA 1 14 CD . ARG 14 -14.731 10.968 13.913 1.000 15.786 . 14 ARG AAA CD . 1 ATOM 229 H HD3 . ARG AAA 1 14 HD3 . ARG 14 -15.274 11.239 13.141 1.000 16.142 . 14 ARG AAA HD3 c 1 ATOM 230 H HD2 . ARG AAA 1 14 HD2 . ARG 14 -15.052 10.097 14.228 1.000 16.150 . 14 ARG AAA HD2 c 1 ATOM 231 N NE . ARG AAA 1 14 NE . ARG 14 -13.326 10.878 13.522 1.000 17.157 . 14 ARG AAA NE . 1 ATOM 232 H HE . ARG AAA 1 14 HE . ARG 14 -13.079 11.311 12.806 1.000 16.910 . 14 ARG AAA HE c 1 ATOM 233 C CZ . ARG AAA 1 14 CZ . ARG 14 -12.410 10.152 14.140 1.000 17.248 . 14 ARG AAA CZ . 1 ATOM 234 N NH1 . ARG AAA 1 14 NH1 . ARG 14 -12.720 9.453 15.227 1.000 18.045 . 14 ARG AAA NH1 . 1 ATOM 235 H HH11 . ARG AAA 1 14 HH11 . ARG 14 -13.539 9.458 15.540 1.000 17.747 . 14 ARG AAA HH11 c 1 ATOM 236 H HH12 . ARG AAA 1 14 HH12 . ARG 14 -12.099 8.980 15.631 1.000 17.756 . 14 ARG AAA HH12 c 1 ATOM 237 N NH2 . ARG AAA 1 14 NH2 . ARG 14 -11.176 10.146 13.657 1.000 18.342 . 14 ARG AAA NH2 . 1 ATOM 238 H HH21 . ARG AAA 1 14 HH21 . ARG 14 -10.981 10.616 12.937 1.000 17.936 . 14 ARG AAA HH21 c 1 ATOM 239 H HH22 . ARG AAA 1 14 HH22 . ARG 14 -10.549 9.677 14.061 1.000 17.936 . 14 ARG AAA HH22 c 1 ATOM 240 C C . ARG AAA 1 14 C . ARG 14 -14.318 14.233 16.973 1.000 14.168 . 14 ARG AAA C . 1 ATOM 241 O O . ARG AAA 1 14 O . ARG 14 -15.169 13.746 17.732 1.000 14.749 . 14 ARG AAA O . 1 ATOM 243 N N . HIS AAA 1 15 N . HIS 15 -13.101 14.564 17.378 1.000 14.359 . 15 HIS AAA N . 1 ATOM 244 H H . HIS AAA 1 15 H . HIS 15 -12.463 14.944 16.851 1.000 14.562 . 15 HIS AAA H c 1 ATOM 245 C CA . HIS AAA 1 15 CA . HIS 15 -12.660 14.333 18.776 1.000 15.435 . 15 HIS AAA CA . 1 ATOM 246 H HA . HIS AAA 1 15 HA . HIS 15 -13.118 13.522 19.102 1.000 14.997 . 15 HIS AAA HA c 1 ATOM 247 C CB . HIS AAA 1 15 CB . HIS 15 -11.172 14.059 18.803 1.000 15.311 . 15 HIS AAA CB . 1 ATOM 248 H HB3 . HIS AAA 1 15 HB3 . HIS 15 -10.851 14.150 19.727 1.000 15.600 . 15 HIS AAA HB3 c 1 ATOM 249 H HB2 . HIS AAA 1 15 HB2 . HIS 15 -10.714 14.741 18.262 1.000 15.609 . 15 HIS AAA HB2 c 1 ATOM 250 C CG . HIS AAA 1 15 CG . HIS 15 -10.785 12.709 18.301 1.000 16.510 . 15 HIS AAA CG . 1 ATOM 251 N ND1 . HIS AAA 1 15 ND1 . HIS 15 -11.059 11.561 18.980 1.000 17.222 . 15 HIS AAA ND1 . 1 ATOM 252 H HD1 . HIS AAA 1 15 HD1 . HIS 15 -11.483 11.522 19.752 0.000 17.190 . 15 HIS AAA HD1 c 1 ATOM 253 C CE1 . HIS AAA 1 15 CE1 . HIS 15 -10.636 10.526 18.304 1.000 16.082 . 15 HIS AAA CE1 . 1 ATOM 254 H HE1 . HIS AAA 1 15 HE1 . HIS 15 -10.712 9.630 18.577 1.000 16.537 . 15 HIS AAA HE1 c 1 ATOM 255 N NE2 . HIS AAA 1 15 NE2 . HIS 15 -10.061 10.941 17.189 1.000 16.905 . 15 HIS AAA NE2 . 1 ATOM 256 H HE2 . HIS AAA 1 15 HE2 . HIS 15 -9.709 10.425 16.578 0.000 17.110 . 15 HIS AAA HE2 c 1 ATOM 257 C CD2 . HIS AAA 1 15 CD2 . HIS 15 -10.159 12.317 17.164 1.000 16.665 . 15 HIS AAA CD2 . 1 ATOM 258 H HD2 . HIS AAA 1 15 HD2 . HIS 15 -9.832 12.878 16.487 1.000 16.653 . 15 HIS AAA HD2 c 1 ATOM 259 C C . HIS AAA 1 15 C . HIS 15 -13.061 15.489 19.698 1.000 14.376 . 15 HIS AAA C . 1 ATOM 260 O O . HIS AAA 1 15 O . HIS 15 -12.575 15.517 20.845 1.000 14.474 . 15 HIS AAA O . 1 ATOM 262 N N . GLY AAA 1 16 N . GLY 16 -13.911 16.385 19.221 1.000 14.855 . 16 GLY AAA N . 1 ATOM 263 H H . GLY AAA 1 16 H . GLY 16 -14.247 16.348 18.379 1.000 14.672 . 16 GLY AAA H c 1 ATOM 264 C CA . GLY AAA 1 16 CA . GLY 16 -14.388 17.536 20.014 1.000 14.571 . 16 GLY AAA CA . 1 ATOM 265 H HA3 . GLY AAA 1 16 HA3 . GLY 16 -14.747 17.188 20.869 1.000 14.714 . 16 GLY AAA HA3 c 1 ATOM 266 H HA2 . GLY AAA 1 16 HA2 . GLY 16 -15.146 17.941 19.535 1.000 14.738 . 16 GLY AAA HA2 c 1 ATOM 267 C C . GLY AAA 1 16 C . GLY 16 -13.381 18.641 20.332 1.000 14.875 . 16 GLY AAA C . 1 ATOM 268 O O . GLY AAA 1 16 O . GLY 16 -13.563 19.307 21.357 1.000 15.192 . 16 GLY AAA O . 1 ATOM 270 N N . LEU AAA 1 17 N . LEU 17 -12.380 18.879 19.499 1.000 14.919 . 17 LEU AAA N . 1 ATOM 271 H H . LEU AAA 1 17 H . LEU 17 -12.241 18.404 18.735 1.000 14.764 . 17 LEU AAA H c 1 ATOM 272 C CA . LEU AAA 1 17 CA . LEU 17 -11.400 19.975 19.746 1.000 14.318 . 17 LEU AAA CA . 1 ATOM 273 H HA . LEU AAA 1 17 HA . LEU 17 -11.257 20.058 20.714 1.000 14.587 . 17 LEU AAA HA c 1 ATOM 274 C CB . LEU AAA 1 17 CB . LEU 17 -10.073 19.691 19.040 1.000 14.569 . 17 LEU AAA CB . 1 ATOM 275 H HB3 . LEU AAA 1 17 HB3 . LEU 17 -9.854 20.468 18.488 1.000 14.512 . 17 LEU AAA HB3 c 1 ATOM 276 H HB2 . LEU AAA 1 17 HB2 . LEU 17 -10.208 18.938 18.432 1.000 14.511 . 17 LEU AAA HB2 c 1 ATOM 277 C CG . LEU AAA 1 17 CG . LEU 17 -8.866 19.377 19.910 1.000 14.583 . 17 LEU AAA CG . 1 ATOM 278 H HG . LEU AAA 1 17 HG . LEU 17 -8.898 18.423 20.160 1.000 14.456 . 17 LEU AAA HG c 1 ATOM 279 C CD1 . LEU AAA 1 17 CD1 . LEU 17 -7.603 19.620 19.067 1.000 14.179 . 17 LEU AAA CD1 . 1 ATOM 280 H HD11 . LEU AAA 1 17 HD11 . LEU 17 -7.610 19.028 18.294 1.000 14.297 . 17 LEU AAA HD11 c 1 ATOM 281 H HD12 . LEU AAA 1 17 HD12 . LEU 17 -6.813 19.440 19.605 1.000 14.297 . 17 LEU AAA HD12 c 1 ATOM 282 H HD13 . LEU AAA 1 17 HD13 . LEU 17 -7.586 20.543 18.765 1.000 14.283 . 17 LEU AAA HD13 c 1 ATOM 283 C CD2 . LEU AAA 1 17 CD2 . LEU 17 -8.864 20.205 21.166 1.000 14.379 . 17 LEU AAA CD2 . 1 ATOM 284 H HD21 . LEU AAA 1 17 HD21 . LEU 17 -9.089 21.128 20.948 1.000 14.432 . 17 LEU AAA HD21 c 1 ATOM 285 H HD22 . LEU AAA 1 17 HD22 . LEU 17 -7.979 20.174 21.573 1.000 14.439 . 17 LEU AAA HD22 c 1 ATOM 286 H HD23 . LEU AAA 1 17 HD23 . LEU 17 -9.520 19.850 21.793 1.000 14.439 . 17 LEU AAA HD23 c 1 ATOM 287 C C . LEU AAA 1 17 C . LEU 17 -11.933 21.304 19.205 1.000 14.885 . 17 LEU AAA C . 1 ATOM 288 O O . LEU AAA 1 17 O . LEU 17 -11.516 22.326 19.683 1.000 14.944 . 17 LEU AAA O . 1 ATOM 290 N N . ASP AAA 1 18 N . ASP 18 -12.801 21.281 18.202 1.000 15.438 . 18 ASP AAA N . 1 ATOM 291 H H . ASP AAA 1 18 H . ASP 18 -13.082 20.511 17.808 1.000 15.159 . 18 ASP AAA H c 1 ATOM 292 C CA . ASP AAA 1 18 CA . ASP 18 -13.364 22.505 17.617 1.000 14.835 . 18 ASP AAA CA . 1 ATOM 293 H HA . ASP AAA 1 18 HA . ASP 18 -12.610 23.072 17.329 1.000 14.878 . 18 ASP AAA HA c 1 ATOM 294 C CB . ASP AAA 1 18 CB . ASP 18 -14.196 22.184 16.377 1.000 14.502 . 18 ASP AAA CB . 1 ATOM 295 H HB3 . ASP AAA 1 18 HB3 . ASP 18 -13.614 21.801 15.690 1.000 14.548 . 18 ASP AAA HB3 c 1 ATOM 296 H HB2 . ASP AAA 1 18 HB2 . ASP 18 -14.576 23.015 16.027 1.000 14.573 . 18 ASP AAA HB2 c 1 ATOM 297 C CG . ASP AAA 1 18 CG . ASP 18 -15.327 21.210 16.643 1.000 14.410 . 18 ASP AAA CG . 1 ATOM 298 O OD1 . ASP AAA 1 18 OD1 . ASP 18 -15.072 20.127 17.250 1.000 14.873 . 18 ASP AAA OD1 . 1 ATOM 299 O OD2 . ASP AAA 1 18 OD2 . ASP 18 -16.475 21.541 16.273 1.000 16.696 . 18 ASP AAA OD2 . 1 ATOM 300 C C . ASP AAA 1 18 C . ASP 18 -14.173 23.280 18.652 1.000 14.834 . 18 ASP AAA C . 1 ATOM 301 O O . ASP AAA 1 18 O . ASP 18 -15.121 22.736 19.248 1.000 13.243 . 18 ASP AAA O . 1 ATOM 303 N N . ASN AAA 1 19 N . ASN 19 -13.751 24.500 18.909 1.000 13.566 . 19 ASN AAA N . 1 ATOM 304 H H . ASN AAA 1 19 H . ASN 19 -13.045 24.876 18.474 1.000 14.068 . 19 ASN AAA H c 1 ATOM 305 C CA . ASN AAA 1 19 CA . ASN 19 -14.370 25.396 19.921 1.000 14.460 . 19 ASN AAA CA . 1 ATOM 306 H HA . ASN AAA 1 19 HA . ASN 19 -13.991 26.294 19.788 1.000 14.077 . 19 ASN AAA HA c 1 ATOM 307 C CB . ASN AAA 1 19 CB . ASN 19 -15.886 25.506 19.680 1.000 15.061 . 19 ASN AAA CB . 1 ATOM 308 H HB3 . ASN AAA 1 19 HB3 . ASN 19 -16.244 26.221 20.244 1.000 15.207 . 19 ASN AAA HB3 c 1 ATOM 309 H HB2 . ASN AAA 1 19 HB2 . ASN 19 -16.315 24.669 19.949 1.000 15.193 . 19 ASN AAA HB2 c 1 ATOM 310 C CG . ASN AAA 1 19 CG . ASN 19 -16.231 25.800 18.237 1.000 16.260 . 19 ASN AAA CG . 1 ATOM 311 O OD1 . ASN AAA 1 19 OD1 . ASN 19 -15.637 26.729 17.690 1.000 19.276 . 19 ASN AAA OD1 . 1 ATOM 312 N ND2 . ASN AAA 1 19 ND2 . ASN 19 -17.193 25.064 17.673 1.000 18.367 . 19 ASN AAA ND2 . 1 ATOM 313 H HD21 . ASN AAA 1 19 HD21 . ASN 19 -17.431 25.205 16.828 0.000 18.470 . 19 ASN AAA HD21 c 1 ATOM 314 H HD22 . ASN AAA 1 19 HD22 . ASN 19 -17.606 24.430 18.136 0.000 18.470 . 19 ASN AAA HD22 c 1 ATOM 315 C C . ASN AAA 1 19 C . ASN 19 -14.069 24.973 21.354 1.000 12.742 . 19 ASN AAA C . 1 ATOM 316 O O . ASN AAA 1 19 O . ASN 19 -14.666 25.505 22.287 1.000 12.760 . 19 ASN AAA O . 1 ATOM 318 N N . TYR AAA 1 20 N . TYR 20 -13.182 24.007 21.550 1.000 13.174 . 20 TYR AAA N . 1 ATOM 319 H H . TYR AAA 1 20 H . TYR 20 -12.721 23.578 20.895 1.000 13.150 . 20 TYR AAA H c 1 ATOM 320 C CA . TYR AAA 1 20 CA . TYR 20 -12.831 23.558 22.914 1.000 13.498 . 20 TYR AAA CA . 1 ATOM 321 H HA . TYR AAA 1 20 HA . TYR 20 -13.663 23.321 23.397 1.000 13.183 . 20 TYR AAA HA c 1 ATOM 322 C CB . TYR AAA 1 20 CB . TYR 20 -11.918 22.345 22.880 1.000 12.241 . 20 TYR AAA CB . 1 ATOM 323 H HB3 . TYR AAA 1 20 HB3 . TYR 20 -11.034 22.618 22.557 1.000 12.669 . 20 TYR AAA HB3 c 1 ATOM 324 H HB2 . TYR AAA 1 20 HB2 . TYR 20 -12.286 21.686 22.254 1.000 12.669 . 20 TYR AAA HB2 c 1 ATOM 325 C CG . TYR AAA 1 20 CG . TYR 20 -11.784 21.721 24.243 1.000 12.842 . 20 TYR AAA CG . 1 ATOM 326 C CD1 . TYR AAA 1 20 CD1 . TYR 20 -12.737 20.833 24.745 1.000 13.693 . 20 TYR AAA CD1 . 1 ATOM 327 H HD1 . TYR AAA 1 20 HD1 . TYR 20 -13.453 20.570 24.191 1.000 13.554 . 20 TYR AAA HD1 c 1 ATOM 328 C CE1 . TYR AAA 1 20 CE1 . TYR 20 -12.644 20.291 26.021 1.000 14.257 . 20 TYR AAA CE1 . 1 ATOM 329 H HE1 . TYR AAA 1 20 HE1 . TYR 20 -13.298 19.690 26.336 1.000 13.626 . 20 TYR AAA HE1 c 1 ATOM 330 C CZ . TYR AAA 1 20 CZ . TYR 20 -11.594 20.679 26.837 1.000 12.502 . 20 TYR AAA CZ . 1 ATOM 331 O OH . TYR AAA 1 20 OH . TYR 20 -11.548 20.167 28.110 1.000 13.401 . 20 TYR AAA OH . 1 ATOM 332 H HH . TYR AAA 1 20 HH . TYR 20 -11.499 19.312 28.085 0.000 13.510 . 20 TYR AAA HH c 1 ATOM 333 C CE2 . TYR AAA 1 20 CE2 . TYR 20 -10.674 21.611 26.374 1.000 13.186 . 20 TYR AAA CE2 . 1 ATOM 334 H HE2 . TYR AAA 1 20 HE2 . TYR 20 -9.944 21.850 26.921 1.000 12.854 . 20 TYR AAA HE2 c 1 ATOM 335 C CD2 . TYR AAA 1 20 CD2 . TYR 20 -10.731 22.080 25.061 1.000 12.342 . 20 TYR AAA CD2 . 1 ATOM 336 H HD2 . TYR AAA 1 20 HD2 . TYR 20 -10.110 22.726 24.769 1.000 12.699 . 20 TYR AAA HD2 c 1 ATOM 337 C C . TYR AAA 1 20 C . TYR 20 -12.163 24.730 23.625 1.000 13.473 . 20 TYR AAA C . 1 ATOM 338 O O . TYR AAA 1 20 O . TYR 20 -11.213 25.296 23.076 1.000 11.849 . 20 TYR AAA O . 1 ATOM 340 N N . ARG AAA 1 21 N . ARG 21 -12.633 25.025 24.827 1.000 13.690 . 21 ARG AAA N . 1 ATOM 341 H H . ARG AAA 1 21 H . ARG 21 -13.274 24.531 25.245 1.000 13.478 . 21 ARG AAA H c 1 ATOM 342 C CA . ARG AAA 1 21 CA . ARG 21 -12.156 26.195 25.620 1.000 13.022 . 21 ARG AAA CA . 1 ATOM 343 H HA . ARG AAA 1 21 HA . ARG 21 -12.745 26.303 26.400 1.000 13.110 . 21 ARG AAA HA c 1 ATOM 344 C CB . ARG AAA 1 21 CB . ARG 21 -10.721 25.959 26.105 1.000 13.293 . 21 ARG AAA CB . 1 ATOM 345 H HB3 . ARG AAA 1 21 HB3 . ARG 21 -10.342 26.816 26.388 1.000 13.311 . 21 ARG AAA HB3 c 1 ATOM 346 H HB2 . ARG AAA 1 21 HB2 . ARG 21 -10.186 25.632 25.353 1.000 13.304 . 21 ARG AAA HB2 c 1 ATOM 347 C CG . ARG AAA 1 21 CG . ARG 21 -10.596 24.968 27.258 1.000 13.627 . 21 ARG AAA CG . 1 ATOM 348 H HG3 . ARG AAA 1 21 HG3 . ARG 21 -9.653 24.736 27.383 1.000 13.751 . 21 ARG AAA HG3 c 1 ATOM 349 H HG2 . ARG AAA 1 21 HG2 . ARG 21 -11.081 24.148 27.031 1.000 13.751 . 21 ARG AAA HG2 c 1 ATOM 350 C CD . ARG AAA 1 21 CD . ARG 21 -11.143 25.515 28.566 1.000 14.539 . 21 ARG AAA CD . 1 ATOM 351 H HD3 . ARG AAA 1 21 HD3 . ARG 21 -11.127 24.796 29.229 1.000 14.699 . 21 ARG AAA HD3 c 1 ATOM 352 H HD2 . ARG AAA 1 21 HD2 . ARG 21 -12.080 25.774 28.436 1.000 14.675 . 21 ARG AAA HD2 c 1 ATOM 353 N NE . ARG AAA 1 21 NE . ARG 21 -10.412 26.647 29.101 0.500 16.020 . 21 ARG AAA NE . 1 ATOM 354 H HE . ARG AAA 1 21 HE . ARG 21 -9.935 27.121 28.547 0.500 15.924 . 21 ARG AAA HE c 1 ATOM 355 C CZ . ARG AAA 1 21 CZ . ARG 21 -10.431 27.037 30.385 0.500 16.876 . 21 ARG AAA CZ . 1 ATOM 356 N NH1 . ARG AAA 1 21 NH1 . ARG 21 -11.133 26.376 31.295 0.500 17.523 . 21 ARG AAA NH1 . 1 ATOM 357 H HH11 . ARG AAA 1 21 HH11 . ARG 21 -11.607 25.674 31.067 0.500 17.243 . 21 ARG AAA HH11 c 1 ATOM 358 H HH12 . ARG AAA 1 21 HH12 . ARG 21 -11.128 26.650 32.130 0.500 17.251 . 21 ARG AAA HH12 c 1 ATOM 359 N NH2 . ARG AAA 1 21 NH2 . ARG 21 -9.734 28.092 30.758 0.500 17.757 . 21 ARG AAA NH2 . 1 ATOM 360 H HH21 . ARG AAA 1 21 HH21 . ARG 21 -9.260 28.537 30.163 0.500 17.393 . 21 ARG AAA HH21 c 1 ATOM 361 H HH22 . ARG AAA 1 21 HH22 . ARG 21 -9.740 28.346 31.602 0.500 17.393 . 21 ARG AAA HH22 c 1 ATOM 362 C C . ARG AAA 1 21 C . ARG 21 -12.217 27.469 24.781 1.000 12.539 . 21 ARG AAA C . 1 ATOM 363 O O . ARG AAA 1 21 O . ARG 21 -11.405 28.382 24.976 1.000 11.972 . 21 ARG AAA O . 1 ATOM 365 N N . GLY AAA 1 22 N . GLY 22 -13.159 27.558 23.849 1.000 12.013 . 22 GLY AAA N . 1 ATOM 366 H H . GLY AAA 1 22 H . GLY 22 -13.743 26.884 23.665 1.000 12.005 . 22 GLY AAA H c 1 ATOM 367 C CA . GLY AAA 1 22 CA . GLY 22 -13.361 28.773 23.066 1.000 11.447 . 22 GLY AAA CA . 1 ATOM 368 H HA3 . GLY AAA 1 22 HA3 . GLY 22 -13.212 29.556 23.652 1.000 11.585 . 22 GLY AAA HA3 c 1 ATOM 369 H HA2 . GLY AAA 1 22 HA2 . GLY 22 -14.306 28.802 22.773 1.000 11.602 . 22 GLY AAA HA2 c 1 ATOM 370 C C . GLY AAA 1 22 C . GLY 22 -12.470 28.893 21.851 1.000 11.448 . 22 GLY AAA C . 1 ATOM 371 O O . GLY AAA 1 22 O . GLY 22 -12.547 29.915 21.119 1.000 11.196 . 22 GLY AAA O . 1 ATOM 373 N N . TYR AAA 1 23 N . TYR 23 -11.606 27.924 21.566 1.000 11.335 . 23 TYR AAA N . 1 ATOM 374 H H . TYR AAA 1 23 H . TYR 23 -11.531 27.150 22.040 1.000 11.187 . 23 TYR AAA H c 1 ATOM 375 C CA . TYR AAA 1 23 CA . TYR 23 -10.668 27.992 20.418 1.000 10.606 . 23 TYR AAA CA . 1 ATOM 376 H HA . TYR AAA 1 23 HA . TYR 23 -10.528 28.945 20.182 1.000 10.786 . 23 TYR AAA HA c 1 ATOM 377 C CB . TYR AAA 1 23 CB . TYR 23 -9.333 27.399 20.793 1.000 10.640 . 23 TYR AAA CB . 1 ATOM 378 H HB3 . TYR AAA 1 23 HB3 . TYR 23 -8.792 27.292 19.982 1.000 10.571 . 23 TYR AAA HB3 c 1 ATOM 379 H HB2 . TYR AAA 1 23 HB2 . TYR 23 -9.475 26.513 21.187 1.000 10.572 . 23 TYR AAA HB2 c 1 ATOM 380 C CG . TYR AAA 1 23 CG . TYR 23 -8.598 28.271 21.772 1.000 10.382 . 23 TYR AAA CG . 1 ATOM 381 C CD1 . TYR AAA 1 23 CD1 . TYR 23 -7.826 29.347 21.349 1.000 9.713 . 23 TYR AAA CD1 . 1 ATOM 382 H HD1 . TYR AAA 1 23 HD1 . TYR 23 -7.781 29.546 20.428 1.000 9.783 . 23 TYR AAA HD1 c 1 ATOM 383 C CE1 . TYR AAA 1 23 CE1 . TYR 23 -7.166 30.159 22.237 1.000 9.273 . 23 TYR AAA CE1 . 1 ATOM 384 H HE1 . TYR AAA 1 23 HE1 . TYR 23 -6.649 30.882 21.923 1.000 9.557 . 23 TYR AAA HE1 c 1 ATOM 385 C CZ . TYR AAA 1 23 CZ . TYR 23 -7.212 29.881 23.597 1.000 9.844 . 23 TYR AAA CZ . 1 ATOM 386 O OH . TYR AAA 1 23 OH . TYR 23 -6.518 30.734 24.431 1.000 9.429 . 23 TYR AAA OH . 1 ATOM 387 H HH . TYR AAA 1 23 HH . TYR 23 -6.825 31.531 24.354 0.000 9.550 . 23 TYR AAA HH c 1 ATOM 388 C CE2 . TYR AAA 1 23 CE2 . TYR 23 -7.977 28.812 24.044 1.000 10.223 . 23 TYR AAA CE2 . 1 ATOM 389 H HE2 . TYR AAA 1 23 HE2 . TYR 23 -8.023 28.621 24.966 1.000 10.148 . 23 TYR AAA HE2 c 1 ATOM 390 C CD2 . TYR AAA 1 23 CD2 . TYR 23 -8.649 28.009 23.134 1.000 10.395 . 23 TYR AAA CD2 . 1 ATOM 391 H HD2 . TYR AAA 1 23 HD2 . TYR 23 -9.160 27.281 23.449 1.000 10.306 . 23 TYR AAA HD2 c 1 ATOM 392 C C . TYR AAA 1 23 C . TYR 23 -11.280 27.284 19.212 1.000 10.734 . 23 TYR AAA C . 1 ATOM 393 O O . TYR AAA 1 23 O . TYR 23 -11.444 26.089 19.178 1.000 10.946 . 23 TYR AAA O . 1 ATOM 395 N N . SER AAA 1 24 N . SER 24 -11.599 28.055 18.193 1.000 10.887 . 24 SER AAA N . 1 ATOM 396 H H . SER AAA 1 24 H . SER 24 -11.506 28.962 18.191 1.000 10.854 . 24 SER AAA H c 1 ATOM 397 C CA . SER AAA 1 24 CA . SER 24 -12.149 27.533 16.928 1.000 10.891 . 24 SER AAA CA . 1 ATOM 398 H HA . SER AAA 1 24 HA . SER 24 -13.004 27.076 17.147 1.000 11.018 . 24 SER AAA HA c 1 ATOM 399 C CB . SER AAA 1 24 CB . SER 24 -12.470 28.671 15.977 1.000 11.718 . 24 SER AAA CB . 1 ATOM 400 H HB3 . SER AAA 1 24 HB3 . SER 24 -13.066 29.313 16.426 1.000 11.244 . 24 SER AAA HB3 c 1 ATOM 401 H HB2 . SER AAA 1 24 HB2 . SER 24 -12.940 28.316 15.190 1.000 11.245 . 24 SER AAA HB2 c 1 ATOM 402 O OG . SER AAA 1 24 OG . SER 24 -11.279 29.341 15.559 1.000 10.581 . 24 SER AAA OG . 1 ATOM 403 H HG . SER AAA 1 24 HG . SER 24 -11.486 29.967 15.031 0.000 10.700 . 24 SER AAA HG c 1 ATOM 404 C C . SER AAA 1 24 C . SER 24 -11.222 26.486 16.294 1.000 10.706 . 24 SER AAA C . 1 ATOM 405 O O . SER AAA 1 24 O . SER 24 -9.999 26.532 16.539 1.000 10.002 . 24 SER AAA O . 1 ATOM 407 N N . LEU AAA 1 25 N . LEU 25 -11.774 25.626 15.442 1.000 10.061 . 25 LEU AAA N . 1 ATOM 408 H H . LEU AAA 1 25 H . LEU 25 -12.660 25.642 15.229 1.000 10.204 . 25 LEU AAA H c 1 ATOM 409 C CA . LEU AAA 1 25 CA . LEU 25 -10.996 24.566 14.758 1.000 10.033 . 25 LEU AAA CA . 1 ATOM 410 H HA . LEU AAA 1 25 HA . LEU 25 -10.684 23.941 15.451 1.000 10.091 . 25 LEU AAA HA c 1 ATOM 411 C CB . LEU AAA 1 25 CB . LEU 25 -11.917 23.823 13.809 1.000 10.324 . 25 LEU AAA CB . 1 ATOM 412 H HB3 . LEU AAA 1 25 HB3 . LEU 25 -12.165 24.435 13.088 1.000 10.201 . 25 LEU AAA HB3 c 1 ATOM 413 H HB2 . LEU AAA 1 25 HB2 . LEU 25 -12.736 23.601 14.295 1.000 10.201 . 25 LEU AAA HB2 c 1 ATOM 414 C CG . LEU AAA 1 25 CG . LEU 25 -11.379 22.534 13.174 1.000 10.096 . 25 LEU AAA CG . 1 ATOM 415 H HG . LEU AAA 1 25 HG . LEU 25 -10.650 22.775 12.552 1.000 10.030 . 25 LEU AAA HG c 1 ATOM 416 C CD1 . LEU AAA 1 25 CD1 . LEU 25 -10.816 21.610 14.230 1.000 10.133 . 25 LEU AAA CD1 . 1 ATOM 417 H HD11 . LEU AAA 1 25 HD11 . LEU 25 -10.001 21.994 14.600 1.000 10.125 . 25 LEU AAA HD11 c 1 ATOM 418 H HD12 . LEU AAA 1 25 HD12 . LEU 25 -10.612 20.747 13.829 1.000 10.130 . 25 LEU AAA HD12 c 1 ATOM 419 H HD13 . LEU AAA 1 25 HD13 . LEU 25 -11.470 21.489 14.941 1.000 10.133 . 25 LEU AAA HD13 c 1 ATOM 420 C CD2 . LEU AAA 1 25 CD2 . LEU 25 -12.489 21.864 12.371 1.000 9.503 . 25 LEU AAA CD2 . 1 ATOM 421 H HD21 . LEU AAA 1 25 HD21 . LEU 25 -13.216 21.615 12.967 1.000 9.698 . 25 LEU AAA HD21 c 1 ATOM 422 H HD22 . LEU AAA 1 25 HD22 . LEU 25 -12.140 21.067 11.935 1.000 9.693 . 25 LEU AAA HD22 c 1 ATOM 423 H HD23 . LEU AAA 1 25 HD23 . LEU 25 -12.820 22.483 11.698 1.000 9.712 . 25 LEU AAA HD23 c 1 ATOM 424 C C . LEU AAA 1 25 C . LEU 25 -9.764 25.110 14.033 1.000 10.028 . 25 LEU AAA C . 1 ATOM 425 O O . LEU AAA 1 25 O . LEU 25 -8.726 24.429 14.044 1.000 9.601 . 25 LEU AAA O . 1 ATOM 427 N N . GLY AAA 1 26 N . GLY 26 -9.821 26.291 13.414 1.000 9.673 . 26 GLY AAA N . 1 ATOM 428 H H . GLY AAA 1 26 H . GLY 26 -10.565 26.816 13.421 1.000 9.722 . 26 GLY AAA H c 1 ATOM 429 C CA . GLY AAA 1 26 CA . GLY 26 -8.682 26.841 12.663 1.000 9.531 . 26 GLY AAA CA . 1 ATOM 430 H HA3 . GLY AAA 1 26 HA3 . GLY 26 -8.961 27.687 12.233 1.000 9.549 . 26 GLY AAA HA3 c 1 ATOM 431 H HA2 . GLY AAA 1 26 HA2 . GLY 26 -8.426 26.202 11.952 1.000 9.539 . 26 GLY AAA HA2 c 1 ATOM 432 C C . GLY AAA 1 26 C . GLY 26 -7.492 27.102 13.558 1.000 9.416 . 26 GLY AAA C . 1 ATOM 433 O O . GLY AAA 1 26 O . GLY 26 -6.352 27.004 13.107 1.000 9.638 . 26 GLY AAA O . 1 ATOM 435 N N . ASN AAA 1 27 N . ASN 27 -7.737 27.412 14.823 1.000 10.043 . 27 ASN AAA N . 1 ATOM 436 H H . ASN AAA 1 27 H . ASN 27 -8.578 27.499 15.160 1.000 9.829 . 27 ASN AAA H c 1 ATOM 437 C CA . ASN AAA 1 27 CA . ASN 27 -6.667 27.665 15.789 1.000 9.779 . 27 ASN AAA CA . 1 ATOM 438 H HA . ASN AAA 1 27 HA . ASN 27 -6.071 28.361 15.427 1.000 9.836 . 27 ASN AAA HA c 1 ATOM 439 C CB . ASN AAA 1 27 CB . ASN 27 -7.226 28.159 17.124 1.000 9.928 . 27 ASN AAA CB . 1 ATOM 440 H HB3 . ASN AAA 1 27 HB3 . ASN 27 -6.566 27.986 17.825 1.000 9.724 . 27 ASN AAA HB3 c 1 ATOM 441 H HB2 . ASN AAA 1 27 HB2 . ASN 27 -8.034 27.654 17.340 1.000 9.723 . 27 ASN AAA HB2 c 1 ATOM 442 C CG . ASN AAA 1 27 CG . ASN 27 -7.553 29.645 17.113 1.000 9.220 . 27 ASN AAA CG . 1 ATOM 443 O OD1 . ASN AAA 1 27 OD1 . ASN 27 -6.619 30.462 17.128 1.000 10.371 . 27 ASN AAA OD1 . 1 ATOM 444 N ND2 . ASN AAA 1 27 ND2 . ASN 27 -8.849 30.026 17.091 1.000 8.760 . 27 ASN AAA ND2 . 1 ATOM 445 H HD21 . ASN AAA 1 27 HD21 . ASN 27 -9.057 30.884 17.085 0.000 8.930 . 27 ASN AAA HD21 c 1 ATOM 446 H HD22 . ASN AAA 1 27 HD22 . ASN 27 -9.489 29.416 17.085 0.000 8.930 . 27 ASN AAA HD22 c 1 ATOM 447 C C . ASN AAA 1 27 C . ASN 27 -5.862 26.395 16.027 1.000 9.682 . 27 ASN AAA C . 1 ATOM 448 O O . ASN AAA 1 27 O . ASN 27 -4.628 26.488 16.083 1.000 9.497 . 27 ASN AAA O . 1 ATOM 450 N N . TRP AAA 1 28 N . TRP 28 -6.545 25.257 16.103 1.000 9.294 . 28 TRP AAA N . 1 ATOM 451 H H . TRP AAA 1 28 H . TRP 28 -7.451 25.213 16.018 1.000 9.447 . 28 TRP AAA H c 1 ATOM 452 C CA . TRP AAA 1 28 CA . TRP 28 -5.916 23.960 16.333 1.000 9.558 . 28 TRP AAA CA . 1 ATOM 453 H HA . TRP AAA 1 28 HA . TRP 28 -5.271 24.079 17.069 1.000 9.451 . 28 TRP AAA HA c 1 ATOM 454 C CB . TRP AAA 1 28 CB . TRP 28 -6.944 22.910 16.801 1.000 9.075 . 28 TRP AAA CB . 1 ATOM 455 H HB3 . TRP AAA 1 28 HB3 . TRP 28 -6.487 22.050 16.897 1.000 9.330 . 28 TRP AAA HB3 c 1 ATOM 456 H HB2 . TRP AAA 1 28 HB2 . TRP 28 -7.627 22.813 16.106 1.000 9.327 . 28 TRP AAA HB2 c 1 ATOM 457 C CG . TRP AAA 1 28 CG . TRP 28 -7.606 23.264 18.096 1.000 9.675 . 28 TRP AAA CG . 1 ATOM 458 C CD1 . TRP AAA 1 28 CD1 . TRP 28 -8.841 23.846 18.289 1.000 9.556 . 28 TRP AAA CD1 . 1 ATOM 459 H HD1 . TRP AAA 1 28 HD1 . TRP 28 -9.468 24.036 17.608 1.000 9.859 . 28 TRP AAA HD1 c 1 ATOM 460 N NE1 . TRP AAA 1 28 NE1 . TRP 28 -9.043 24.090 19.627 1.000 10.547 . 28 TRP AAA NE1 . 1 ATOM 461 H HE1 . TRP AAA 1 28 HE1 . TRP 28 -9.766 24.435 19.979 1.000 10.167 . 28 TRP AAA HE1 c 1 ATOM 462 C CE2 . TRP AAA 1 28 CE2 . TRP 28 -7.935 23.699 20.311 1.000 9.932 . 28 TRP AAA CE2 . 1 ATOM 463 C CD2 . TRP AAA 1 28 CD2 . TRP 28 -7.010 23.170 19.387 1.000 9.816 . 28 TRP AAA CD2 . 1 ATOM 464 C CE3 . TRP AAA 1 28 CE3 . TRP 28 -5.750 22.741 19.830 1.000 9.883 . 28 TRP AAA CE3 . 1 ATOM 465 H HE3 . TRP AAA 1 28 HE3 . TRP 28 -5.127 22.382 19.219 1.000 10.071 . 28 TRP AAA HE3 c 1 ATOM 466 C CZ3 . TRP AAA 1 28 CZ3 . TRP 28 -5.483 22.740 21.197 1.000 10.716 . 28 TRP AAA CZ3 . 1 ATOM 467 H HZ3 . TRP AAA 1 28 HZ3 . TRP 28 -4.646 22.443 21.516 1.000 10.584 . 28 TRP AAA HZ3 c 1 ATOM 468 C CH2 . TRP AAA 1 28 CH2 . TRP 28 -6.435 23.259 22.095 1.000 11.365 . 28 TRP AAA CH2 . 1 ATOM 469 H HH2 . TRP AAA 1 28 HH2 . TRP 28 -6.227 23.285 23.011 1.000 10.847 . 28 TRP AAA HH2 c 1 ATOM 470 C CZ2 . TRP AAA 1 28 CZ2 . TRP 28 -7.639 23.769 21.674 1.000 10.330 . 28 TRP AAA CZ2 . 1 ATOM 471 H HZ2 . TRP AAA 1 28 HZ2 . TRP 28 -8.281 24.074 22.293 1.000 10.420 . 28 TRP AAA HZ2 c 1 ATOM 472 C C . TRP AAA 1 28 C . TRP 28 -5.144 23.483 15.108 1.000 9.758 . 28 TRP AAA C . 1 ATOM 473 O O . TRP AAA 1 28 O . TRP 28 -4.094 22.873 15.289 1.000 9.162 . 28 TRP AAA O . 1 ATOM 475 N N . VAL AAA 1 29 N . VAL 29 -5.718 23.704 13.934 1.000 8.589 . 29 VAL AAA N . 1 ATOM 476 H H . VAL AAA 1 29 H . VAL 29 -6.511 24.140 13.829 1.000 8.898 . 29 VAL AAA H c 1 ATOM 477 C CA . VAL AAA 1 29 CA . VAL 29 -5.097 23.244 12.685 1.000 8.785 . 29 VAL AAA CA . 1 ATOM 478 H HA . VAL AAA 1 29 HA . VAL 29 -4.837 22.312 12.799 1.000 8.721 . 29 VAL AAA HA c 1 ATOM 479 C CB . VAL AAA 1 29 CB . VAL 29 -6.045 23.335 11.490 1.000 8.716 . 29 VAL AAA CB . 1 ATOM 480 H HB . VAL AAA 1 29 HB . VAL 29 -6.388 24.261 11.434 1.000 8.712 . 29 VAL AAA HB c 1 ATOM 481 C CG1 . VAL AAA 1 29 CG1 . VAL 29 -5.278 23.019 10.211 1.000 8.782 . 29 VAL AAA CG1 . 1 ATOM 482 H HG11 . VAL AAA 1 29 HG11 . VAL 29 -4.629 23.723 10.035 1.000 8.762 . 29 VAL AAA HG11 c 1 ATOM 483 H HG12 . VAL AAA 1 29 HG12 . VAL 29 -5.902 22.962 9.466 1.000 8.762 . 29 VAL AAA HG12 c 1 ATOM 484 H HG13 . VAL AAA 1 29 HG13 . VAL 29 -4.815 22.168 10.312 1.000 8.762 . 29 VAL AAA HG13 c 1 ATOM 485 C CG2 . VAL AAA 1 29 CG2 . VAL 29 -7.220 22.389 11.667 1.000 8.561 . 29 VAL AAA CG2 . 1 ATOM 486 H HG21 . VAL AAA 1 29 HG21 . VAL 29 -6.894 21.475 11.734 1.000 8.609 . 29 VAL AAA HG21 c 1 ATOM 487 H HG22 . VAL AAA 1 29 HG22 . VAL 29 -7.816 22.465 10.901 1.000 8.609 . 29 VAL AAA HG22 c 1 ATOM 488 H HG23 . VAL AAA 1 29 HG23 . VAL 29 -7.706 22.619 12.478 1.000 8.611 . 29 VAL AAA HG23 c 1 ATOM 489 C C . VAL AAA 1 29 C . VAL 29 -3.822 24.085 12.505 1.000 8.703 . 29 VAL AAA C . 1 ATOM 490 O O . VAL AAA 1 29 O . VAL 29 -2.779 23.555 12.099 1.000 8.541 . 29 VAL AAA O . 1 ATOM 492 N N . CYS AAA 1 30 N . CYS 30 -3.905 25.384 12.732 1.000 8.973 . 30 CYS AAA N . 1 ATOM 493 H H . CYS AAA 1 30 H . CYS 30 -4.661 25.820 12.996 1.000 8.950 . 30 CYS AAA H c 1 ATOM 494 C CA . CYS AAA 1 30 CA . CYS 30 -2.742 26.279 12.558 1.000 9.138 . 30 CYS AAA CA . 1 ATOM 495 H HA . CYS AAA 1 30 HA . CYS 30 -2.407 26.193 11.636 1.000 9.252 . 30 CYS AAA HA c 1 ATOM 496 C CB . CYS AAA 1 30 CB . CYS 30 -3.168 27.737 12.815 1.000 10.075 . 30 CYS AAA CB . 1 ATOM 497 H HB3 . CYS AAA 1 30 HB3 . CYS 30 -3.509 27.806 13.729 1.000 9.982 . 30 CYS AAA HB3 c 1 ATOM 498 H HB2 . CYS AAA 1 30 HB2 . CYS 30 -3.903 27.959 12.209 1.000 9.985 . 30 CYS AAA HB2 c 1 ATOM 499 S SG . CYS AAA 1 30 SG . CYS 30 -1.862 28.995 12.604 1.000 10.669 . 30 CYS AAA SG . 1 ATOM 500 C C . CYS AAA 1 30 C . CYS 30 -1.662 25.866 13.532 1.000 9.018 . 30 CYS AAA C . 1 ATOM 501 O O . CYS AAA 1 30 O . CYS 30 -0.508 25.748 13.144 1.000 8.731 . 30 CYS AAA O . 1 ATOM 503 N N . ALA AAA 1 31 N . ALA 31 -2.013 25.666 14.789 1.000 9.039 . 31 ALA AAA N . 1 ATOM 504 H H . ALA AAA 1 31 H . ALA 31 -2.854 25.781 15.120 1.000 9.055 . 31 ALA AAA H c 1 ATOM 505 C CA . ALA AAA 1 31 CA . ALA 31 -1.036 25.233 15.803 1.000 9.127 . 31 ALA AAA CA . 1 ATOM 506 H HA . ALA AAA 1 31 HA . ALA 31 -0.351 25.936 15.900 1.000 9.173 . 31 ALA AAA HA c 1 ATOM 507 C CB . ALA AAA 1 31 CB . ALA 31 -1.709 25.017 17.137 1.000 9.405 . 31 ALA AAA CB . 1 ATOM 508 H HB3 . ALA AAA 1 31 HB3 . ALA 31 -2.394 24.333 17.048 1.000 9.319 . 31 ALA AAA HB3 c 1 ATOM 509 H HB2 . ALA AAA 1 31 HB2 . ALA 31 -2.118 25.847 17.433 1.000 9.319 . 31 ALA AAA HB2 c 1 ATOM 510 H HB1 . ALA AAA 1 31 HB1 . ALA 31 -1.050 24.730 17.791 1.000 9.319 . 31 ALA AAA HB1 c 1 ATOM 511 C C . ALA AAA 1 31 C . ALA 31 -0.350 23.944 15.352 1.000 9.177 . 31 ALA AAA C . 1 ATOM 512 O O . ALA AAA 1 31 O . ALA 31 0.859 23.849 15.379 1.000 9.621 . 31 ALA AAA O . 1 ATOM 514 N N . ALA AAA 1 32 N . ALA 32 -1.113 22.969 14.903 1.000 9.134 . 32 ALA AAA N . 1 ATOM 515 H H . ALA AAA 1 32 H . ALA 32 -2.021 23.019 14.840 1.000 9.153 . 32 ALA AAA H c 1 ATOM 516 C CA . ALA AAA 1 32 CA . ALA 32 -0.566 21.661 14.448 1.000 9.170 . 32 ALA AAA CA . 1 ATOM 517 H HA . ALA AAA 1 32 HA . ALA 32 -0.051 21.260 15.185 1.000 9.148 . 32 ALA AAA HA c 1 ATOM 518 C CB . ALA AAA 1 32 CB . ALA 32 -1.736 20.753 14.106 1.000 9.246 . 32 ALA AAA CB . 1 ATOM 519 H HB3 . ALA AAA 1 32 HB3 . ALA 32 -2.261 21.153 13.393 1.000 9.222 . 32 ALA AAA HB3 c 1 ATOM 520 H HB2 . ALA AAA 1 32 HB2 . ALA 32 -2.297 20.634 14.892 1.000 9.222 . 32 ALA AAA HB2 c 1 ATOM 521 H HB1 . ALA AAA 1 32 HB1 . ALA 32 -1.402 19.888 13.814 1.000 9.222 . 32 ALA AAA HB1 c 1 ATOM 522 C C . ALA AAA 1 32 C . ALA 32 0.344 21.836 13.256 1.000 9.001 . 32 ALA AAA C . 1 ATOM 523 O O . ALA AAA 1 32 O . ALA 32 1.410 21.190 13.182 1.000 9.410 . 32 ALA AAA O . 1 ATOM 525 N N . LYS AAA 1 33 N . LYS 33 -0.017 22.742 12.353 1.000 10.006 . 33 LYS AAA N . 1 ATOM 526 H H . LYS AAA 1 33 H . LYS 33 -0.784 23.230 12.399 1.000 9.709 . 33 LYS AAA H c 1 ATOM 527 C CA . LYS AAA 1 33 CA . LYS 33 0.833 23.004 11.172 1.000 9.769 . 33 LYS AAA CA . 1 ATOM 528 H HA . LYS AAA 1 33 HA . LYS 33 0.920 22.170 10.655 1.000 10.101 . 33 LYS AAA HA c 1 ATOM 529 C CB . LYS AAA 1 33 CB . LYS 33 0.212 24.075 10.289 1.000 10.978 . 33 LYS AAA CB . 1 ATOM 530 H HB3 . LYS AAA 1 33 HB3 . LYS 33 -0.046 24.835 10.850 1.000 11.140 . 33 LYS AAA HB3 c 1 ATOM 531 H HB2 . LYS AAA 1 33 HB2 . LYS 33 -0.601 23.712 9.880 1.000 11.148 . 33 LYS AAA HB2 c 1 ATOM 532 C CG . LYS AAA 1 33 CG . LYS 33 1.131 24.574 9.188 1.000 13.174 . 33 LYS AAA CG . 1 ATOM 533 H HG3 . LYS AAA 1 33 HG3 . LYS 33 1.973 24.868 9.596 1.000 13.005 . 33 LYS AAA HG3 c 1 ATOM 534 H HG2 . LYS AAA 1 33 HG2 . LYS 33 0.725 25.358 8.777 1.000 13.032 . 33 LYS AAA HG2 c 1 ATOM 535 C CD . LYS AAA 1 33 CD . LYS 33 1.454 23.572 8.094 1.000 14.979 . 33 LYS AAA CD . 1 ATOM 536 H HD3 . LYS AAA 1 33 HD3 . LYS 33 0.617 23.236 7.709 1.000 14.918 . 33 LYS AAA HD3 c 1 ATOM 537 H HD2 . LYS AAA 1 33 HD2 . LYS 33 1.933 22.811 8.487 1.000 14.918 . 33 LYS AAA HD2 c 1 ATOM 538 C CE . LYS AAA 1 33 CE . LYS 33 2.304 24.170 6.981 1.000 16.736 . 33 LYS AAA CE . 1 ATOM 539 H HE3 . LYS AAA 1 33 HE3 . LYS 33 3.086 24.606 7.369 1.000 16.643 . 33 LYS AAA HE3 c 1 ATOM 540 H HE2 . LYS AAA 1 33 HE2 . LYS 33 1.787 24.847 6.505 1.000 16.626 . 33 LYS AAA HE2 c 1 ATOM 541 N NZ . LYS AAA 1 33 NZ . LYS 33 2.764 23.133 6.000 1.000 18.162 . 33 LYS AAA NZ . 1 ATOM 542 H HZ1 . LYS AAA 1 33 HZ1 . LYS 33 3.258 22.504 6.427 1.000 17.707 . 33 LYS AAA HZ1 c 1 ATOM 543 H HZ2 . LYS AAA 1 33 HZ2 . LYS 33 3.271 23.523 5.356 1.000 17.710 . 33 LYS AAA HZ2 c 1 ATOM 544 H HZ3 . LYS AAA 1 33 HZ3 . LYS 33 2.046 22.736 5.614 1.000 17.710 . 33 LYS AAA HZ3 c 1 ATOM 545 C C . LYS AAA 1 33 C . LYS 33 2.219 23.466 11.603 1.000 10.127 . 33 LYS AAA C . 1 ATOM 546 O O . LYS AAA 1 33 O . LYS 33 3.215 22.871 11.198 1.000 9.020 . 33 LYS AAA O . 1 ATOM 548 N N . PHE AAA 1 34 N . PHE 34 2.287 24.463 12.463 1.000 10.552 . 34 PHE AAA N . 1 ATOM 549 H H . PHE AAA 1 34 H . PHE 34 1.576 24.866 12.866 1.000 10.244 . 34 PHE AAA H c 1 ATOM 550 C CA . PHE AAA 1 34 CA . PHE 34 3.595 25.015 12.848 1.000 9.688 . 34 PHE AAA CA . 1 ATOM 551 H HA . PHE AAA 1 34 HA . PHE 34 4.177 24.968 12.049 1.000 10.171 . 34 PHE AAA HA c 1 ATOM 552 C CB . PHE AAA 1 34 CB . PHE 34 3.451 26.488 13.216 1.000 10.720 . 34 PHE AAA CB . 1 ATOM 553 H HB3 . PHE AAA 1 34 HB3 . PHE 34 4.316 26.826 13.532 1.000 10.431 . 34 PHE AAA HB3 c 1 ATOM 554 H HB2 . PHE AAA 1 34 HB2 . PHE 34 2.800 26.575 13.944 1.000 10.435 . 34 PHE AAA HB2 c 1 ATOM 555 C CG . PHE AAA 1 34 CG . PHE 34 3.002 27.290 12.042 1.000 10.561 . 34 PHE AAA CG . 1 ATOM 556 C CD1 . PHE AAA 1 34 CD1 . PHE 34 3.651 27.169 10.812 1.000 11.269 . 34 PHE AAA CD1 . 1 ATOM 557 H HD1 . PHE AAA 1 34 HD1 . PHE 34 4.389 26.589 10.719 1.000 11.166 . 34 PHE AAA HD1 c 1 ATOM 558 C CE1 . PHE AAA 1 34 CE1 . PHE 34 3.230 27.936 9.736 1.000 11.460 . 34 PHE AAA CE1 . 1 ATOM 559 H HE1 . PHE AAA 1 34 HE1 . PHE 34 3.662 27.844 8.903 1.000 11.410 . 34 PHE AAA HE1 c 1 ATOM 560 C CZ . PHE AAA 1 34 CZ . PHE 34 2.142 28.771 9.847 1.000 11.447 . 34 PHE AAA CZ . 1 ATOM 561 H HZ . PHE AAA 1 34 HZ . PHE 34 1.863 29.290 9.110 1.000 11.576 . 34 PHE AAA HZ c 1 ATOM 562 C CD2 . PHE AAA 1 34 CD2 . PHE 34 1.945 28.158 12.162 1.000 11.717 . 34 PHE AAA CD2 . 1 ATOM 563 H HD2 . PHE AAA 1 34 HD2 . PHE 34 1.497 28.229 12.990 1.000 11.506 . 34 PHE AAA HD2 c 1 ATOM 564 C CE2 . PHE AAA 1 34 CE2 . PHE 34 1.500 28.900 11.082 1.000 12.113 . 34 PHE AAA CE2 . 1 ATOM 565 H HE2 . PHE AAA 1 34 HE2 . PHE 34 0.767 29.486 11.178 1.000 11.805 . 34 PHE AAA HE2 c 1 ATOM 566 C C . PHE AAA 1 34 C . PHE 34 4.317 24.235 13.958 1.000 10.364 . 34 PHE AAA C . 1 ATOM 567 O O . PHE AAA 1 34 O . PHE 34 5.537 24.358 14.100 1.000 10.160 . 34 PHE AAA O . 1 ATOM 569 N N . GLU AAA 1 35 N . GLU 35 3.618 23.389 14.700 1.000 10.073 . 35 GLU AAA N . 1 ATOM 570 H H . GLU AAA 1 35 H . GLU 35 2.725 23.246 14.591 1.000 10.212 . 35 GLU AAA H c 1 ATOM 571 C CA . GLU AAA 1 35 CA . GLU 35 4.237 22.609 15.766 1.000 10.372 . 35 GLU AAA CA . 1 ATOM 572 H HA . GLU AAA 1 35 HA . GLU 35 4.949 23.148 16.180 1.000 10.308 . 35 GLU AAA HA c 1 ATOM 573 C CB . GLU AAA 1 35 CB . GLU 35 3.210 22.223 16.837 1.000 10.357 . 35 GLU AAA CB . 1 ATOM 574 H HB3 . GLU AAA 1 35 HB3 . GLU 35 3.592 21.515 17.396 1.000 10.398 . 35 GLU AAA HB3 c 1 ATOM 575 H HB2 . GLU AAA 1 35 HB2 . GLU 35 2.416 21.859 16.392 1.000 10.398 . 35 GLU AAA HB2 c 1 ATOM 576 C CG . GLU AAA 1 35 CG . GLU 35 2.788 23.376 17.725 1.000 10.518 . 35 GLU AAA CG . 1 ATOM 577 H HG3 . GLU AAA 1 35 HG3 . GLU 35 2.020 23.095 18.267 1.000 10.562 . 35 GLU AAA HG3 c 1 ATOM 578 H HG2 . GLU AAA 1 35 HG2 . GLU 35 2.494 24.121 17.161 1.000 10.560 . 35 GLU AAA HG2 c 1 ATOM 579 C CD . GLU AAA 1 35 CD . GLU 35 3.879 23.890 18.664 1.000 10.877 . 35 GLU AAA CD . 1 ATOM 580 O OE1 . GLU AAA 1 35 OE1 . GLU 35 5.000 23.318 18.677 1.000 10.422 . 35 GLU AAA OE1 . 1 ATOM 581 O OE2 . GLU AAA 1 35 OE2 . GLU 35 3.626 24.894 19.380 1.000 11.351 . 35 GLU AAA OE2 . 1 ATOM 582 C C . GLU AAA 1 35 C . GLU 35 4.863 21.353 15.145 1.000 10.348 . 35 GLU AAA C . 1 ATOM 583 O O . GLU AAA 1 35 O . GLU 35 5.971 20.935 15.522 1.000 10.393 . 35 GLU AAA O . 1 ATOM 585 N N . SER AAA 1 36 N . SER 36 4.155 20.713 14.218 1.000 10.589 . 36 SER AAA N . 1 ATOM 586 H H . SER AAA 1 36 H . SER 36 3.368 21.019 13.878 1.000 10.513 . 36 SER AAA H c 1 ATOM 587 C CA . SER AAA 1 36 CA . SER 36 4.537 19.373 13.676 1.000 10.489 . 36 SER AAA CA . 1 ATOM 588 H HA . SER AAA 1 36 HA . SER 36 5.478 19.197 13.945 1.000 10.589 . 36 SER AAA HA c 1 ATOM 589 C CB . SER AAA 1 36 CB . SER 36 3.685 18.316 14.285 1.000 10.431 . 36 SER AAA CB . 1 ATOM 590 H HB3 . SER AAA 1 36 HB3 . SER 36 3.678 18.423 15.263 1.000 10.049 . 36 SER AAA HB3 c 1 ATOM 591 H HB2 . SER AAA 1 36 HB2 . SER 36 4.059 17.431 14.075 1.000 10.053 . 36 SER AAA HB2 c 1 ATOM 592 O OG . SER AAA 1 36 OG . SER 36 2.357 18.405 13.785 1.000 8.850 . 36 SER AAA OG . 1 ATOM 593 H HG . SER AAA 1 36 HG . SER 36 1.891 17.794 14.146 0.000 8.940 . 36 SER AAA HG c 1 ATOM 594 C C . SER AAA 1 36 C . SER 36 4.462 19.229 12.155 1.000 10.985 . 36 SER AAA C . 1 ATOM 595 O O . SER AAA 1 36 O . SER 36 4.854 18.164 11.639 1.000 11.178 . 36 SER AAA O . 1 ATOM 597 N N . ASN AAA 1 37 N . ASN 37 3.973 20.248 11.455 1.000 11.566 . 37 ASN AAA N . 1 ATOM 598 H H . ASN AAA 1 37 H . ASN 37 3.763 21.054 11.819 1.000 11.538 . 37 ASN AAA H c 1 ATOM 599 C CA . ASN AAA 1 37 CA . ASN 37 3.747 20.163 10.004 1.000 12.095 . 37 ASN AAA CA . 1 ATOM 600 H HA . ASN AAA 1 37 HA . ASN 37 3.283 20.983 9.721 1.000 12.011 . 37 ASN AAA HA c 1 ATOM 601 C CB . ASN AAA 1 37 CB . ASN 37 5.054 20.068 9.201 1.000 13.415 . 37 ASN AAA CB . 1 ATOM 602 H HB3 . ASN AAA 1 37 HB3 . ASN 37 5.394 19.152 9.251 1.000 13.432 . 37 ASN AAA HB3 c 1 ATOM 603 H HB2 . ASN AAA 1 37 HB2 . ASN 37 5.719 20.661 9.607 1.000 13.444 . 37 ASN AAA HB2 c 1 ATOM 604 C CG . ASN AAA 1 37 CG . ASN 37 4.871 20.454 7.736 1.000 15.029 . 37 ASN AAA CG . 1 ATOM 605 O OD1 . ASN AAA 1 37 OD1 . ASN 37 3.893 21.142 7.420 1.000 17.143 . 37 ASN AAA OD1 . 1 ATOM 606 N ND2 . ASN AAA 1 37 ND2 . ASN 37 5.804 20.049 6.859 1.000 16.292 . 37 ASN AAA ND2 . 1 ATOM 607 H HD21 . ASN AAA 1 37 HD21 . ASN 37 5.738 20.256 6.004 0.000 16.340 . 37 ASN AAA HD21 c 1 ATOM 608 H HD22 . ASN AAA 1 37 HD22 . ASN 37 6.508 19.579 7.141 0.000 16.340 . 37 ASN AAA HD22 c 1 ATOM 609 C C . ASN AAA 1 37 C . ASN 37 2.815 18.970 9.745 1.000 10.961 . 37 ASN AAA C . 1 ATOM 610 O O . ASN AAA 1 37 O . ASN 37 3.011 18.250 8.739 1.000 11.051 . 37 ASN AAA O . 1 ATOM 612 N N . PHE AAA 1 38 N . PHE 38 1.823 18.773 10.636 1.000 11.449 . 38 PHE AAA N . 1 ATOM 613 H H . PHE AAA 1 38 H . PHE 38 1.706 19.301 11.369 1.000 11.383 . 38 PHE AAA H c 1 ATOM 614 C CA . PHE AAA 1 38 CA . PHE 38 0.789 17.716 10.547 1.000 11.671 . 38 PHE AAA CA . 1 ATOM 615 H HA . PHE AAA 1 38 HA . PHE 38 0.163 17.833 11.305 1.000 11.574 . 38 PHE AAA HA c 1 ATOM 616 C CB . PHE AAA 1 38 CB . PHE 38 -0.006 17.859 9.237 1.000 11.259 . 38 PHE AAA CB . 1 ATOM 617 H HB3 . PHE AAA 1 38 HB3 . PHE 38 -0.668 17.137 9.201 1.000 11.391 . 38 PHE AAA HB3 c 1 ATOM 618 H HB2 . PHE AAA 1 38 HB2 . PHE 38 0.609 17.731 8.486 1.000 11.392 . 38 PHE AAA HB2 c 1 ATOM 619 C CG . PHE AAA 1 38 CG . PHE 38 -0.717 19.158 9.061 1.000 11.411 . 38 PHE AAA CG . 1 ATOM 620 C CD1 . PHE AAA 1 38 CD1 . PHE 38 -1.203 19.875 10.155 1.000 11.657 . 38 PHE AAA CD1 . 1 ATOM 621 H HD1 . PHE AAA 1 38 HD1 . PHE 38 -1.089 19.549 11.032 1.000 11.601 . 38 PHE AAA HD1 c 1 ATOM 622 C CE1 . PHE AAA 1 38 CE1 . PHE 38 -1.876 21.076 9.925 1.000 11.533 . 38 PHE AAA CE1 . 1 ATOM 623 H HE1 . PHE AAA 1 38 HE1 . PHE 38 -2.215 21.570 10.653 1.000 11.764 . 38 PHE AAA HE1 c 1 ATOM 624 C CZ . PHE AAA 1 38 CZ . PHE 38 -2.062 21.533 8.637 1.000 12.434 . 38 PHE AAA CZ . 1 ATOM 625 H HZ . PHE AAA 1 38 HZ . PHE 38 -2.507 22.353 8.495 1.000 12.138 . 38 PHE AAA HZ c 1 ATOM 626 C CD2 . PHE AAA 1 38 CD2 . PHE 38 -0.898 19.650 7.774 1.000 11.913 . 38 PHE AAA CD2 . 1 ATOM 627 H HD2 . PHE AAA 1 38 HD2 . PHE 38 -0.576 19.157 7.037 1.000 11.868 . 38 PHE AAA HD2 c 1 ATOM 628 C CE2 . PHE AAA 1 38 CE2 . PHE 38 -1.575 20.835 7.564 1.000 12.265 . 38 PHE AAA CE2 . 1 ATOM 629 H HE2 . PHE AAA 1 38 HE2 . PHE 38 -1.697 21.164 6.688 1.000 12.175 . 38 PHE AAA HE2 c 1 ATOM 630 C C . PHE AAA 1 38 C . PHE 38 1.383 16.287 10.643 1.000 11.802 . 38 PHE AAA C . 1 ATOM 631 O O . PHE AAA 1 38 O . PHE 38 0.696 15.342 10.255 1.000 11.171 . 38 PHE AAA O . 1 ATOM 633 N N . ASN AAA 1 39 N . ASN 39 2.591 16.138 11.175 1.000 11.609 . 39 ASN AAA N . 1 ATOM 634 H H . ASN AAA 1 39 H . ASN 39 3.070 16.842 11.495 1.000 11.719 . 39 ASN AAA H c 1 ATOM 635 C CA . ASN AAA 1 39 CA . ASN 39 3.289 14.841 11.341 1.000 11.904 . 39 ASN AAA CA . 1 ATOM 636 H HA . ASN AAA 1 39 HA . ASN 39 2.898 14.198 10.704 1.000 11.829 . 39 ASN AAA HA c 1 ATOM 637 C CB . ASN AAA 1 39 CB . ASN 39 4.769 15.015 10.969 1.000 11.639 . 39 ASN AAA CB . 1 ATOM 638 H HB3 . ASN AAA 1 39 HB3 . ASN 39 5.209 15.559 11.652 1.000 11.825 . 39 ASN AAA HB3 c 1 ATOM 639 H HB2 . ASN AAA 1 39 HB2 . ASN 39 4.831 15.487 10.113 1.000 11.819 . 39 ASN AAA HB2 c 1 ATOM 640 C CG . ASN AAA 1 39 CG . ASN 39 5.489 13.672 10.856 1.000 12.143 . 39 ASN AAA CG . 1 ATOM 641 O OD1 . ASN AAA 1 39 OD1 . ASN 39 4.923 12.612 11.172 1.000 11.560 . 39 ASN AAA OD1 . 1 ATOM 642 N ND2 . ASN AAA 1 39 ND2 . ASN 39 6.754 13.745 10.424 1.000 13.685 . 39 ASN AAA ND2 . 1 ATOM 643 H HD21 . ASN AAA 1 39 HD21 . ASN 39 7.233 13.004 10.329 0.000 13.820 . 39 ASN AAA HD21 c 1 ATOM 644 H HD22 . ASN AAA 1 39 HD22 . ASN 39 7.110 14.526 10.220 0.000 13.820 . 39 ASN AAA HD22 c 1 ATOM 645 C C . ASN AAA 1 39 C . ASN 39 3.097 14.293 12.765 1.000 12.087 . 39 ASN AAA C . 1 ATOM 646 O O . ASN AAA 1 39 O . ASN 39 3.699 14.838 13.695 1.000 11.785 . 39 ASN AAA O . 1 ATOM 648 N N . THR AAA 1 40 N . THR 40 2.361 13.207 12.931 1.000 11.703 . 40 THR AAA N . 1 ATOM 649 H H . THR AAA 1 40 H . THR 40 1.957 12.751 12.256 1.000 11.671 . 40 THR AAA H c 1 ATOM 650 C CA . THR AAA 1 40 CA . THR 40 2.169 12.584 14.279 1.000 11.197 . 40 THR AAA CA . 1 ATOM 651 H HA . THR AAA 1 40 HA . THR 40 1.797 13.270 14.877 1.000 11.338 . 40 THR AAA HA c 1 ATOM 652 C CB . THR AAA 1 40 CB . THR 40 1.194 11.401 14.233 1.000 11.412 . 40 THR AAA CB . 1 ATOM 653 H HB . THR AAA 1 40 HB . THR 40 1.040 11.116 15.164 1.000 11.254 . 40 THR AAA HB c 1 ATOM 654 O OG1 . THR AAA 1 40 OG1 . THR 40 1.734 10.298 13.518 1.000 10.343 . 40 THR AAA OG1 . 1 ATOM 655 H HG1 . THR AAA 1 40 HG1 . THR 40 1.171 9.663 13.516 0.000 10.550 . 40 THR AAA HG1 c 1 ATOM 656 C CG2 . THR AAA 1 40 CG2 . THR 40 -0.139 11.816 13.645 1.000 11.903 . 40 THR AAA CG2 . 1 ATOM 657 H HG21 . THR AAA 1 40 HG21 . THR 40 -0.537 12.510 14.198 1.000 11.755 . 40 THR AAA HG21 c 1 ATOM 658 H HG22 . THR AAA 1 40 HG22 . THR 40 -0.734 11.046 13.619 1.000 11.755 . 40 THR AAA HG22 c 1 ATOM 659 H HG23 . THR AAA 1 40 HG23 . THR 40 -0.012 12.155 12.742 1.000 11.754 . 40 THR AAA HG23 c 1 ATOM 660 C C . THR AAA 1 40 C . THR 40 3.496 12.111 14.863 1.000 11.200 . 40 THR AAA C . 1 ATOM 661 O O . THR AAA 1 40 O . THR 40 3.580 11.961 16.079 1.000 12.294 . 40 THR AAA O . 1 ATOM 663 N N . GLN AAA 1 41 N . GLN 41 4.487 11.833 14.046 1.000 11.471 . 41 GLN AAA N . 1 ATOM 664 H H . GLN AAA 1 41 H . GLN 41 4.454 11.942 13.143 1.000 11.454 . 41 GLN AAA H c 1 ATOM 665 C CA . GLN AAA 1 41 CA . GLN 41 5.764 11.274 14.571 1.000 11.660 . 41 GLN AAA CA . 1 ATOM 666 H HA . GLN AAA 1 41 HA . GLN 41 5.554 10.786 15.400 1.000 11.811 . 41 GLN AAA HA c 1 ATOM 667 C CB . GLN AAA 1 41 CB . GLN 41 6.355 10.274 13.594 1.000 11.967 . 41 GLN AAA CB . 1 ATOM 668 H HB3 . GLN AAA 1 41 HB3 . GLN 41 7.179 9.915 13.984 1.000 12.173 . 41 GLN AAA HB3 c 1 ATOM 669 H HB2 . GLN AAA 1 41 HB2 . GLN 41 6.601 10.754 12.776 1.000 12.166 . 41 GLN AAA HB2 c 1 ATOM 670 C CG . GLN AAA 1 41 CG . GLN 41 5.444 9.117 13.225 1.000 13.167 . 41 GLN AAA CG . 1 ATOM 671 H HG3 . GLN AAA 1 41 HG3 . GLN 41 4.765 9.423 12.587 1.000 12.970 . 41 GLN AAA HG3 c 1 ATOM 672 H HG2 . GLN AAA 1 41 HG2 . GLN 41 4.985 8.791 14.029 1.000 12.971 . 41 GLN AAA HG2 c 1 ATOM 673 C CD . GLN AAA 1 41 CD . GLN 41 6.250 7.979 12.604 1.000 13.593 . 41 GLN AAA CD . 1 ATOM 674 O OE1 . GLN AAA 1 41 OE1 . GLN 41 7.011 7.315 13.325 1.000 14.956 . 41 GLN AAA OE1 . 1 ATOM 675 N NE2 . GLN AAA 1 41 NE2 . GLN 41 6.074 7.751 11.296 1.000 13.088 . 41 GLN AAA NE2 . 1 ATOM 676 H HE21 . GLN AAA 1 41 HE21 . GLN 41 6.522 7.100 10.890 0.000 13.090 . 41 GLN AAA HE21 c 1 ATOM 677 H HE22 . GLN AAA 1 41 HE22 . GLN 41 5.509 8.245 10.827 0.000 13.090 . 41 GLN AAA HE22 c 1 ATOM 678 C C . GLN AAA 1 41 C . GLN 41 6.790 12.359 14.923 1.000 12.359 . 41 GLN AAA C . 1 ATOM 679 O O . GLN AAA 1 41 O . GLN 41 7.885 12.000 15.293 1.000 12.376 . 41 GLN AAA O . 1 ATOM 681 N N . ALA AAA 1 42 N . ALA 42 6.459 13.643 14.820 1.000 12.239 . 42 ALA AAA N . 1 ATOM 682 H H . ALA AAA 1 42 H . ALA 42 5.643 13.953 14.561 1.000 12.157 . 42 ALA AAA H c 1 ATOM 683 C CA . ALA AAA 1 42 CA . ALA 42 7.426 14.714 15.127 1.000 11.807 . 42 ALA AAA CA . 1 ATOM 684 H HA . ALA AAA 1 42 HA . ALA 42 8.222 14.596 14.558 1.000 11.925 . 42 ALA AAA HA c 1 ATOM 685 C CB . ALA AAA 1 42 CB . ALA 42 6.779 16.038 14.807 1.000 11.741 . 42 ALA AAA CB . 1 ATOM 686 H HB3 . ALA AAA 1 42 HB3 . ALA 42 5.985 16.154 15.354 1.000 11.762 . 42 ALA AAA HB3 c 1 ATOM 687 H HB2 . ALA AAA 1 42 HB2 . ALA 42 6.530 16.060 13.868 1.000 11.762 . 42 ALA AAA HB2 c 1 ATOM 688 H HB1 . ALA AAA 1 42 HB1 . ALA 42 7.406 16.759 14.991 1.000 11.761 . 42 ALA AAA HB1 c 1 ATOM 689 C C . ALA AAA 1 42 C . ALA 42 7.856 14.653 16.610 1.000 12.043 . 42 ALA AAA C . 1 ATOM 690 O O . ALA AAA 1 42 O . ALA 42 7.017 14.455 17.505 1.000 12.104 . 42 ALA AAA O . 1 ATOM 692 N N . THR AAA 1 43 N . THR 43 9.143 14.822 16.849 1.000 12.953 . 43 THR AAA N . 1 ATOM 693 H H . THR AAA 1 43 H . THR 43 9.771 14.857 16.197 1.000 12.928 . 43 THR AAA H c 1 ATOM 694 C CA . THR AAA 1 43 CA . THR 43 9.718 14.889 18.197 1.000 13.595 . 43 THR AAA CA . 1 ATOM 695 H HA . THR AAA 1 43 HA . THR 43 9.018 15.160 18.830 1.000 13.284 . 43 THR AAA HA c 1 ATOM 696 C CB . THR AAA 1 43 CB . THR 43 10.336 13.536 18.651 1.000 13.185 . 43 THR AAA CB . 1 ATOM 697 H HB . THR AAA 1 43 HB . THR 43 10.688 13.665 19.564 1.000 13.465 . 43 THR AAA HB c 1 ATOM 698 O OG1 . THR AAA 1 43 OG1 . THR 43 11.435 13.142 17.802 1.000 14.432 . 43 THR AAA OG1 . 1 ATOM 699 H HG1 . THR AAA 1 43 HG1 . THR 43 11.756 12.406 18.075 0.000 14.410 . 43 THR AAA HG1 c 1 ATOM 700 C CG2 . THR AAA 1 43 CG2 . THR 43 9.324 12.411 18.696 1.000 13.044 . 43 THR AAA CG2 . 1 ATOM 701 H HG21 . THR AAA 1 43 HG21 . THR 43 8.599 12.649 19.302 1.000 13.087 . 43 THR AAA HG21 c 1 ATOM 702 H HG22 . THR AAA 1 43 HG22 . THR 43 9.755 11.597 19.011 1.000 13.087 . 43 THR AAA HG22 c 1 ATOM 703 H HG23 . THR AAA 1 43 HG23 . THR 43 8.963 12.261 17.804 1.000 13.085 . 43 THR AAA HG23 c 1 ATOM 704 C C . THR AAA 1 43 C . THR 43 10.796 15.948 18.151 1.000 13.070 . 43 THR AAA C . 1 ATOM 705 O O . THR AAA 1 43 O . THR 43 11.464 16.137 17.109 1.000 13.032 . 43 THR AAA O . 1 ATOM 707 N N . ASN AAA 1 44 N . ASN 44 10.955 16.670 19.256 1.000 13.751 . 44 ASN AAA N . 1 ATOM 708 H H . ASN AAA 1 44 H . ASN 44 10.477 16.533 20.020 1.000 13.614 . 44 ASN AAA H c 1 ATOM 709 C CA . ASN AAA 1 44 CA . ASN 44 11.929 17.765 19.325 1.000 13.875 . 44 ASN AAA CA . 1 ATOM 710 H HA . ASN AAA 1 44 HA . ASN 44 12.701 17.529 18.759 1.000 13.870 . 44 ASN AAA HA c 1 ATOM 711 C CB . ASN AAA 1 44 CB . ASN 44 11.325 19.062 18.767 1.000 15.038 . 44 ASN AAA CB . 1 ATOM 712 H HB3 . ASN AAA 1 44 HB3 . ASN 44 11.915 19.810 18.993 1.000 14.830 . 44 ASN AAA HB3 c 1 ATOM 713 H HB2 . ASN AAA 1 44 HB2 . ASN 44 10.458 19.219 19.194 1.000 14.823 . 44 ASN AAA HB2 c 1 ATOM 714 C CG . ASN AAA 1 44 CG . ASN 44 11.137 19.014 17.255 1.000 15.369 . 44 ASN AAA CG . 1 ATOM 715 O OD1 . ASN AAA 1 44 OD1 . ASN 44 12.152 19.117 16.538 1.000 17.401 . 44 ASN AAA OD1 . 1 ATOM 716 N ND2 . ASN AAA 1 44 ND2 . ASN 44 9.888 18.867 16.773 1.000 16.264 . 44 ASN AAA ND2 . 1 ATOM 717 H HD21 . ASN AAA 1 44 HD21 . ASN 44 9.749 18.835 15.905 0.000 16.210 . 44 ASN AAA HD21 c 1 ATOM 718 H HD22 . ASN AAA 1 44 HD22 . ASN 44 9.207 18.804 17.336 0.000 16.210 . 44 ASN AAA HD22 c 1 ATOM 719 C C . ASN AAA 1 44 C . ASN 44 12.411 17.907 20.771 1.000 12.908 . 44 ASN AAA C . 1 ATOM 720 O O . ASN AAA 1 44 O . ASN 44 11.587 18.089 21.694 1.000 13.561 . 44 ASN AAA O . 1 ATOM 722 N N . ARG AAA 1 45 N . ARG 45 13.743 17.882 20.939 1.000 13.325 . 45 ARG AAA N . 1 ATOM 723 H H . ARG AAA 1 45 H . ARG 45 14.337 17.796 20.253 1.000 13.571 . 45 ARG AAA H c 1 ATOM 724 C CA . ARG AAA 1 45 CA . ARG 45 14.348 18.000 22.267 1.000 14.844 . 45 ARG AAA CA . 1 ATOM 725 H HA . ARG AAA 1 45 HA . ARG 45 13.786 17.508 22.905 1.000 14.154 . 45 ARG AAA HA c 1 ATOM 726 C CB . ARG AAA 1 45 CB . ARG 45 15.764 17.418 22.293 1.000 14.144 . 45 ARG AAA CB . 1 ATOM 727 H HB3 . ARG AAA 1 45 HB3 . ARG 45 16.381 18.063 21.888 1.000 14.499 . 45 ARG AAA HB3 c 1 ATOM 728 H HB2 . ARG AAA 1 45 HB2 . ARG 45 15.781 16.601 21.752 1.000 14.500 . 45 ARG AAA HB2 c 1 ATOM 729 C CG . ARG AAA 1 45 CG . ARG 45 16.241 17.092 23.703 1.000 14.987 . 45 ARG AAA CG . 1 ATOM 730 H HG3 . ARG AAA 1 45 HG3 . ARG 45 16.057 17.842 24.307 1.000 14.742 . 45 ARG AAA HG3 c 1 ATOM 731 H HG2 . ARG AAA 1 45 HG2 . ARG 45 17.206 16.911 23.702 1.000 14.744 . 45 ARG AAA HG2 c 1 ATOM 732 C CD . ARG AAA 1 45 CD . ARG 45 15.484 15.860 24.161 1.000 14.817 . 45 ARG AAA CD . 1 ATOM 733 H HD3 . ARG AAA 1 45 HD3 . ARG 45 15.668 15.136 23.529 1.000 14.798 . 45 ARG AAA HD3 c 1 ATOM 734 H HD2 . ARG AAA 1 45 HD2 . ARG 45 14.527 16.052 24.106 1.000 14.771 . 45 ARG AAA HD2 c 1 ATOM 735 N NE . ARG AAA 1 45 NE . ARG 45 15.773 15.386 25.509 0.500 14.498 . 45 ARG AAA NE . 1 ATOM 736 H HE . ARG AAA 1 45 HE . ARG 45 15.199 15.571 26.136 0.500 14.303 . 45 ARG AAA HE c 1 ATOM 737 C CZ . ARG AAA 1 45 CZ . ARG 45 16.851 14.668 25.846 0.500 13.619 . 45 ARG AAA CZ . 1 ATOM 738 N NH1 . ARG AAA 1 45 NH1 . ARG 45 17.741 14.320 24.948 0.500 13.940 . 45 ARG AAA NH1 . 1 ATOM 739 H HH11 . ARG AAA 1 45 HH11 . ARG 45 17.654 14.576 24.114 0.500 13.843 . 45 ARG AAA HH11 c 1 ATOM 740 H HH12 . ARG AAA 1 45 HH12 . ARG 45 18.440 13.846 25.192 0.500 13.840 . 45 ARG AAA HH12 c 1 ATOM 741 N NH2 . ARG AAA 1 45 NH2 . ARG 45 17.011 14.250 27.086 0.500 12.974 . 45 ARG AAA NH2 . 1 ATOM 742 H HH21 . ARG AAA 1 45 HH21 . ARG 45 16.419 14.466 27.702 0.500 13.247 . 45 ARG AAA HH21 c 1 ATOM 743 H HH22 . ARG AAA 1 45 HH22 . ARG 45 17.723 13.777 27.301 0.500 13.247 . 45 ARG AAA HH22 c 1 ATOM 744 C C . ARG AAA 1 45 C . ARG 45 14.355 19.471 22.656 1.000 13.509 . 45 ARG AAA C . 1 ATOM 745 O O . ARG AAA 1 45 O . ARG 45 14.666 20.365 21.834 1.000 13.947 . 45 ARG AAA O . 1 ATOM 747 N N . ASN AAA 1 46 N . ASN 46 14.037 19.712 23.920 1.000 14.859 . 46 ASN AAA N . 1 ATOM 748 H H . ASN AAA 1 46 H . ASN 46 13.786 19.057 24.502 1.000 14.539 . 46 ASN AAA H c 1 ATOM 749 C CA . ASN AAA 1 46 CA . ASN 46 14.063 21.060 24.513 1.000 14.900 . 46 ASN AAA CA . 1 ATOM 750 H HA . ASN AAA 1 46 HA . ASN 46 14.009 21.728 23.790 1.000 14.783 . 46 ASN AAA HA c 1 ATOM 751 C CB . ASN AAA 1 46 CB . ASN 46 12.871 21.270 25.443 1.000 14.933 . 46 ASN AAA CB . 1 ATOM 752 H HB3 . ASN AAA 1 46 HB3 . ASN 46 12.918 22.175 25.813 1.000 15.262 . 46 ASN AAA HB3 c 1 ATOM 753 H HB2 . ASN AAA 1 46 HB2 . ASN 46 12.940 20.638 26.187 1.000 15.254 . 46 ASN AAA HB2 c 1 ATOM 754 C CG . ASN AAA 1 46 CG . ASN 46 11.531 21.088 24.772 1.000 16.428 . 46 ASN AAA CG . 1 ATOM 755 O OD1 . ASN AAA 1 46 OD1 . ASN 46 11.356 21.555 23.634 1.000 17.407 . 46 ASN AAA OD1 . 1 ATOM 756 N ND2 . ASN AAA 1 46 ND2 . ASN 46 10.581 20.449 25.467 1.000 14.384 . 46 ASN AAA ND2 . 1 ATOM 757 H HD21 . ASN AAA 1 46 HD21 . ASN 46 9.780 20.329 25.105 0.000 14.310 . 46 ASN AAA HD21 c 1 ATOM 758 H HD22 . ASN AAA 1 46 HD22 . ASN 46 10.748 20.160 26.279 0.000 14.310 . 46 ASN AAA HD22 c 1 ATOM 759 C C . ASN AAA 1 46 C . ASN 46 15.392 21.228 25.245 1.000 14.307 . 46 ASN AAA C . 1 ATOM 760 O O . ASN AAA 1 46 O . ASN 46 15.975 20.254 25.654 1.000 13.371 . 46 ASN AAA O . 1 ATOM 762 N N . THR AAA 1 47 N . THR 47 15.832 22.460 25.409 1.000 13.996 . 47 THR AAA N . 1 ATOM 763 H H . THR AAA 1 47 H . THR 47 15.370 23.196 25.139 1.000 14.179 . 47 THR AAA H c 1 ATOM 764 C CA . THR AAA 1 47 CA . THR 47 17.101 22.788 26.093 1.000 14.395 . 47 THR AAA CA . 1 ATOM 765 H HA . THR AAA 1 47 HA . THR 47 17.823 22.377 25.566 1.000 14.413 . 47 THR AAA HA c 1 ATOM 766 C CB . THR AAA 1 47 CB . THR 47 17.335 24.306 26.085 1.000 15.692 . 47 THR AAA CB . 1 ATOM 767 H HB . THR AAA 1 47 HB . THR 47 18.199 24.476 26.531 1.000 16.002 . 47 THR AAA HB c 1 ATOM 768 O OG1 . THR AAA 1 47 OG1 . THR 47 16.320 25.020 26.794 1.000 17.958 . 47 THR AAA OG1 . 1 ATOM 769 H HG1 . THR AAA 1 47 HG1 . THR 47 16.486 25.855 26.766 0.000 18.170 . 47 THR AAA HG1 c 1 ATOM 770 C CG2 . THR AAA 1 47 CG2 . THR 47 17.421 24.841 24.681 1.000 16.560 . 47 THR AAA CG2 . 1 ATOM 771 H HG21 . THR AAA 1 47 HG21 . THR 47 18.150 24.400 24.210 1.000 16.291 . 47 THR AAA HG21 c 1 ATOM 772 H HG22 . THR AAA 1 47 HG22 . THR 47 17.588 25.800 24.709 1.000 16.291 . 47 THR AAA HG22 c 1 ATOM 773 H HG23 . THR AAA 1 47 HG23 . THR 47 16.587 24.674 24.212 1.000 16.301 . 47 THR AAA HG23 c 1 ATOM 774 C C . THR AAA 1 47 C . THR 47 17.168 22.189 27.506 1.000 13.670 . 47 THR AAA C . 1 ATOM 775 O O . THR AAA 1 47 O . THR 47 18.296 21.922 27.973 1.000 14.174 . 47 THR AAA O . 1 ATOM 777 N N . ASP AAA 1 48 N . ASP 48 16.036 22.031 28.196 1.000 14.732 . 48 ASP AAA N . 1 ATOM 778 H H . ASP AAA 1 48 H . ASP 48 15.206 22.205 27.866 1.000 14.264 . 48 ASP AAA H c 1 ATOM 779 C CA . ASP AAA 1 48 CA . ASP 48 16.086 21.565 29.599 1.000 13.836 . 48 ASP AAA CA . 1 ATOM 780 H HA . ASP AAA 1 48 HA . ASP 48 16.905 21.922 30.014 1.000 13.951 . 48 ASP AAA HA c 1 ATOM 781 C CB . ASP AAA 1 48 CB . ASP 48 14.900 22.117 30.365 1.000 14.232 . 48 ASP AAA CB . 1 ATOM 782 H HB3 . ASP AAA 1 48 HB3 . ASP 48 14.879 23.090 30.256 1.000 14.402 . 48 ASP AAA HB3 c 1 ATOM 783 H HB2 . ASP AAA 1 48 HB2 . ASP 48 15.021 21.921 31.317 1.000 14.402 . 48 ASP AAA HB2 c 1 ATOM 784 C CG . ASP AAA 1 48 CG . ASP 48 13.560 21.568 29.940 1.000 15.397 . 48 ASP AAA CG . 1 ATOM 785 O OD1 . ASP AAA 1 48 OD1 . ASP 48 13.497 20.913 28.879 1.000 15.013 . 48 ASP AAA OD1 . 1 ATOM 786 O OD2 . ASP AAA 1 48 OD2 . ASP 48 12.550 21.871 30.620 1.000 14.946 . 48 ASP AAA OD2 . 1 ATOM 787 C C . ASP AAA 1 48 C . ASP 48 16.127 20.021 29.689 1.000 13.192 . 48 ASP AAA C . 1 ATOM 788 O O . ASP AAA 1 48 O . ASP 48 16.113 19.480 30.806 1.000 13.230 . 48 ASP AAA O . 1 ATOM 790 N N . GLY AAA 1 49 N . GLY 49 16.109 19.329 28.568 1.000 14.288 . 49 GLY AAA N . 1 ATOM 791 H H . GLY AAA 1 49 H . GLY 49 16.043 19.708 27.744 1.000 13.729 . 49 GLY AAA H c 1 ATOM 792 C CA . GLY AAA 1 49 CA . GLY 49 16.177 17.864 28.582 1.000 13.050 . 49 GLY AAA CA . 1 ATOM 793 H HA3 . GLY AAA 1 49 HA3 . GLY 49 16.488 17.560 29.471 1.000 13.234 . 49 GLY AAA HA3 c 1 ATOM 794 H HA2 . GLY AAA 1 49 HA2 . GLY 49 16.845 17.571 27.913 1.000 13.235 . 49 GLY AAA HA2 c 1 ATOM 795 C C . GLY AAA 1 49 C . GLY 49 14.856 17.218 28.273 1.000 12.652 . 49 GLY AAA C . 1 ATOM 796 O O . GLY AAA 1 49 O . GLY 49 14.837 16.016 28.037 1.000 12.738 . 49 GLY AAA O . 1 ATOM 798 N N . SER AAA 1 50 N . SER 50 13.761 17.965 28.354 1.000 12.143 . 50 SER AAA N . 1 ATOM 799 H H . SER AAA 1 50 H . SER 50 13.741 18.840 28.604 1.000 12.208 . 50 SER AAA H c 1 ATOM 800 C CA . SER AAA 1 50 CA . SER 50 12.429 17.416 28.038 1.000 11.907 . 50 SER AAA CA . 1 ATOM 801 H HA . SER AAA 1 50 HA . SER 50 12.358 16.513 28.450 1.000 11.561 . 50 SER AAA HA c 1 ATOM 802 C CB . SER AAA 1 50 CB . SER 50 11.326 18.281 28.591 1.000 11.071 . 50 SER AAA CB . 1 ATOM 803 H HB3 . SER AAA 1 50 HB3 . SER 50 11.444 18.369 29.564 1.000 11.392 . 50 SER AAA HB3 c 1 ATOM 804 H HB2 . SER AAA 1 50 HB2 . SER 50 10.463 17.838 28.431 1.000 11.403 . 50 SER AAA HB2 c 1 ATOM 805 O OG . SER AAA 1 50 OG . SER 50 11.305 19.575 28.004 1.000 11.610 . 50 SER AAA OG . 1 ATOM 806 H HG . SER AAA 1 50 HG . SER 50 10.672 20.012 28.351 0.000 11.680 . 50 SER AAA HG c 1 ATOM 807 C C . SER AAA 1 50 C . SER 50 12.326 17.263 26.514 1.000 10.735 . 50 SER AAA C . 1 ATOM 808 O O . SER AAA 1 50 O . SER 50 13.164 17.815 25.757 1.000 11.342 . 50 SER AAA O . 1 ATOM 810 N N . THR AAA 1 51 N . THR 51 11.261 16.616 26.071 1.000 11.288 . 51 THR AAA N . 1 ATOM 811 H H . THR AAA 1 51 H . THR 51 10.624 16.234 26.599 1.000 11.126 . 51 THR AAA H c 1 ATOM 812 C CA . THR AAA 1 51 CA . THR 51 11.017 16.452 24.625 1.000 11.163 . 51 THR AAA CA . 1 ATOM 813 H HA . THR AAA 1 51 HA . THR 51 11.565 17.107 24.138 1.000 11.131 . 51 THR AAA HA c 1 ATOM 814 C CB . THR AAA 1 51 CB . THR 51 11.420 15.034 24.180 1.000 11.563 . 51 THR AAA CB . 1 ATOM 815 H HB . THR AAA 1 51 HB . THR 51 10.882 14.396 24.700 1.000 11.432 . 51 THR AAA HB c 1 ATOM 816 O OG1 . THR AAA 1 51 OG1 . THR 51 12.803 14.749 24.420 1.000 11.501 . 51 THR AAA OG1 . 1 ATOM 817 H HG1 . THR AAA 1 51 HG1 . THR 51 12.980 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 11.132 14.814 22.711 1.000 11.416 . 51 THR AAA CG2 . 1 ATOM 819 H HG21 . THR AAA 1 51 HG21 . THR 51 10.169 14.817 22.561 1.000 11.458 . 51 THR AAA HG21 c 1 ATOM 820 H HG22 . THR AAA 1 51 HG22 . THR 51 11.498 13.954 22.434 1.000 11.462 . 51 THR AAA HG22 c 1 ATOM 821 H HG23 . THR AAA 1 51 HG23 . THR 51 11.544 15.523 22.187 1.000 11.466 . 51 THR AAA HG23 c 1 ATOM 822 C C . THR AAA 1 51 C . THR 51 9.548 16.725 24.336 1.000 10.493 . 51 THR AAA C . 1 ATOM 823 O O . THR AAA 1 51 O . THR 51 8.666 16.446 25.155 1.000 11.177 . 51 THR AAA O . 1 ATOM 825 N N . ASP AAA 1 52 N . ASP 52 9.292 17.264 23.155 1.000 10.437 . 52 ASP AAA N . 1 ATOM 826 H H . ASP AAA 1 52 H . ASP 52 9.951 17.477 22.563 1.000 10.601 . 52 ASP AAA H c 1 ATOM 827 C CA . ASP AAA 1 52 CA . ASP 52 7.924 17.581 22.652 1.000 11.080 . 52 ASP AAA CA . 1 ATOM 828 H HA . ASP AAA 1 52 HA . ASP 52 7.305 17.597 23.416 1.000 11.278 . 52 ASP AAA HA c 1 ATOM 829 C CB . ASP AAA 1 52 CB . ASP 52 7.857 18.936 21.945 1.000 12.262 . 52 ASP AAA CB . 1 ATOM 830 H HB3 . ASP AAA 1 52 HB3 . ASP 52 6.997 19.015 21.492 1.000 11.987 . 52 ASP AAA HB3 c 1 ATOM 831 H HB2 . ASP AAA 1 52 HB2 . ASP 52 8.567 18.990 21.274 1.000 11.994 . 52 ASP AAA HB2 c 1 ATOM 832 C CG . ASP AAA 1 52 CG . ASP 52 8.010 20.100 22.915 1.000 12.376 . 52 ASP AAA CG . 1 ATOM 833 O OD1 . ASP AAA 1 52 OD1 . ASP 52 8.002 19.845 24.139 1.000 13.005 . 52 ASP AAA OD1 . 1 ATOM 834 O OD2 . ASP AAA 1 52 OD2 . ASP 52 8.133 21.257 22.452 1.000 13.410 . 52 ASP AAA OD2 . 1 ATOM 835 C C . ASP AAA 1 52 C . ASP 52 7.522 16.454 21.724 1.000 11.640 . 52 ASP AAA C . 1 ATOM 836 O O . ASP AAA 1 52 O . ASP 52 8.358 16.052 20.893 1.000 11.303 . 52 ASP AAA O . 1 ATOM 838 N N . TYR AAA 1 53 N . TYR 53 6.309 15.941 21.859 1.000 11.473 . 53 TYR AAA N . 1 ATOM 839 H H . TYR AAA 1 53 H . TYR 53 5.684 16.224 22.457 1.000 11.550 . 53 TYR AAA H c 1 ATOM 840 C CA . TYR AAA 1 53 CA . TYR 53 5.855 14.820 21.007 1.000 11.634 . 53 TYR AAA CA . 1 ATOM 841 H HA . TYR AAA 1 53 HA . TYR 53 6.554 14.635 20.331 1.000 11.388 . 53 TYR AAA HA c 1 ATOM 842 C CB . TYR AAA 1 53 CB . TYR 53 5.655 13.563 21.850 1.000 10.702 . 53 TYR AAA CB . 1 ATOM 843 H HB3 . TYR AAA 1 53 HB3 . TYR 53 5.350 12.838 21.264 1.000 10.668 . 53 TYR AAA HB3 c 1 ATOM 844 H HB2 . TYR AAA 1 53 HB2 . TYR 53 4.948 13.736 22.507 1.000 10.672 . 53 TYR AAA HB2 c 1 ATOM 845 C CG . TYR AAA 1 53 CG . TYR 53 6.889 13.120 22.570 1.000 9.724 . 53 TYR AAA CG . 1 ATOM 846 C CD1 . TYR AAA 1 53 CD1 . TYR 53 7.311 13.722 23.753 1.000 9.299 . 53 TYR AAA CD1 . 1 ATOM 847 H HD1 . TYR AAA 1 53 HD1 . TYR 53 6.806 14.431 24.117 1.000 9.549 . 53 TYR AAA HD1 c 1 ATOM 848 C CE1 . TYR AAA 1 53 CE1 . TYR 53 8.447 13.278 24.426 1.000 9.862 . 53 TYR AAA CE1 . 1 ATOM 849 H HE1 . TYR AAA 1 53 HE1 . TYR 53 8.716 13.697 25.225 1.000 9.692 . 53 TYR AAA HE1 c 1 ATOM 850 C CZ . TYR AAA 1 53 CZ . TYR 53 9.189 12.235 23.913 1.000 9.634 . 53 TYR AAA CZ . 1 ATOM 851 O OH . TYR AAA 1 53 OH . TYR 53 10.319 11.796 24.601 1.000 9.606 . 53 TYR AAA OH . 1 ATOM 852 H HH . TYR AAA 1 53 HH . TYR 53 10.099 11.529 25.388 0.000 9.700 . 53 TYR AAA HH c 1 ATOM 853 C CE2 . TYR AAA 1 53 CE2 . TYR 53 8.808 11.638 22.719 1.000 9.784 . 53 TYR AAA CE2 . 1 ATOM 854 H HE2 . TYR AAA 1 53 HE2 . TYR 53 9.295 10.905 22.382 1.000 9.709 . 53 TYR AAA HE2 c 1 ATOM 855 C CD2 . TYR AAA 1 53 CD2 . TYR 53 7.642 12.049 22.089 1.000 9.598 . 53 TYR AAA CD2 . 1 ATOM 856 H HD2 . TYR AAA 1 53 HD2 . TYR 53 7.391 11.638 21.279 1.000 9.687 . 53 TYR AAA HD2 c 1 ATOM 857 C C . TYR AAA 1 53 C . TYR 53 4.518 14.990 20.279 1.000 11.465 . 53 TYR AAA C . 1 ATOM 858 O O . TYR AAA 1 53 O . TYR 53 3.557 15.544 20.784 1.000 11.245 . 53 TYR AAA O . 1 ATOM 860 N N . GLY AAA 1 54 N . GLY 54 4.500 14.535 19.026 1.000 11.153 . 54 GLY AAA N . 1 ATOM 861 H H . GLY AAA 1 54 H . GLY 54 5.245 14.227 18.601 1.000 11.353 . 54 GLY AAA H c 1 ATOM 862 C CA . GLY AAA 1 54 CA . GLY 54 3.275 14.495 18.226 1.000 11.685 . 54 GLY AAA CA . 1 ATOM 863 H HA3 . GLY AAA 1 54 HA3 . GLY 54 2.536 14.215 18.820 1.000 11.483 . 54 GLY AAA HA3 c 1 ATOM 864 H HA2 . GLY AAA 1 54 HA2 . GLY 54 3.379 13.779 17.555 1.000 11.481 . 54 GLY AAA HA2 c 1 ATOM 865 C C . GLY AAA 1 54 C . GLY 54 2.842 15.758 17.504 1.000 11.351 . 54 GLY AAA C . 1 ATOM 866 O O . GLY AAA 1 54 O . GLY 54 3.537 16.759 17.498 1.000 11.068 . 54 GLY AAA O . 1 ATOM 868 N N . ILE AAA 1 55 N . ILE 55 1.639 15.696 16.931 1.000 11.351 . 55 ILE AAA N . 1 ATOM 869 H H . ILE AAA 1 55 H . ILE 55 1.110 14.961 17.011 1.000 11.419 . 55 ILE AAA H c 1 ATOM 870 C CA . ILE AAA 1 55 CA . ILE 55 1.037 16.769 16.130 1.000 11.556 . 55 ILE AAA CA . 1 ATOM 871 H HA . ILE AAA 1 55 HA . ILE 55 1.587 16.884 15.340 1.000 11.515 . 55 ILE AAA HA c 1 ATOM 872 C CB . ILE AAA 1 55 CB . ILE 55 -0.379 16.390 15.658 1.000 12.424 . 55 ILE AAA CB . 1 ATOM 873 H HB . ILE AAA 1 55 HB . ILE 55 -0.759 17.163 15.172 1.000 12.477 . 55 ILE AAA HB c 1 ATOM 874 C CG1 . ILE AAA 1 55 CG1 . ILE 55 -1.290 16.080 16.849 1.000 13.525 . 55 ILE AAA CG1 . 1 ATOM 875 H HG12 . ILE AAA 1 55 HG12 . ILE 55 -1.074 16.685 17.587 1.000 13.945 . 55 ILE AAA HG12 c 1 ATOM 876 H HG13 . ILE AAA 1 55 HG13 . ILE 55 -1.122 15.164 17.149 1.000 13.972 . 55 ILE AAA HG13 c 1 ATOM 877 C CG2 . ILE AAA 1 55 CG2 . ILE 55 -0.294 15.226 14.701 1.000 12.525 . 55 ILE AAA CG2 . 1 ATOM 878 H HG21 . ILE AAA 1 55 HG21 . ILE 55 0.321 15.441 13.978 1.000 12.494 . 55 ILE AAA HG21 c 1 ATOM 879 H HG22 . ILE AAA 1 55 HG22 . ILE 55 -1.176 15.045 14.331 1.000 12.502 . 55 ILE AAA HG22 c 1 ATOM 880 C CD1 . ILE AAA 1 55 CD1 . ILE 55 -2.740 16.219 16.524 1.000 16.877 . 55 ILE AAA CD1 . 1 ATOM 881 H HD11 . ILE AAA 1 55 HD11 . ILE 55 -2.925 17.131 16.241 1.000 15.762 . 55 ILE AAA HD11 c 1 ATOM 882 H HD12 . ILE AAA 1 55 HD12 . ILE 55 -3.272 16.012 17.313 1.000 15.762 . 55 ILE AAA HD12 c 1 ATOM 883 H HD13 . ILE AAA 1 55 HD13 . ILE 55 -2.974 15.605 15.807 1.000 15.755 . 55 ILE AAA HD13 c 1 ATOM 884 H HG23 . ILE AAA 1 55 HG23 . ILE 55 0.024 14.439 15.172 1.000 12.500 . 55 ILE AAA HG23 c 1 ATOM 885 C C . ILE AAA 1 55 C . ILE 55 0.987 18.111 16.866 1.000 10.768 . 55 ILE AAA C . 1 ATOM 886 O O . ILE AAA 1 55 O . ILE 55 0.966 19.138 16.203 1.000 10.678 . 55 ILE AAA O . 1 ATOM 888 N N . LEU AAA 1 56 N . LEU 56 0.879 18.094 18.182 1.000 11.320 . 56 LEU AAA N . 1 ATOM 889 H H . LEU AAA 1 56 H . LEU 56 0.847 17.331 18.677 1.000 11.184 . 56 LEU AAA H c 1 ATOM 890 C CA . LEU AAA 1 56 CA . LEU 56 0.780 19.341 18.967 1.000 11.279 . 56 LEU AAA CA . 1 ATOM 891 H HA . LEU AAA 1 56 HA . LEU 56 0.807 20.097 18.340 1.000 11.103 . 56 LEU AAA HA c 1 ATOM 892 C CB . LEU AAA 1 56 CB . LEU 56 -0.561 19.356 19.700 1.000 11.187 . 56 LEU AAA CB . 1 ATOM 893 H HB3 . LEU AAA 1 56 HB3 . LEU 56 -0.512 20.001 20.433 1.000 11.367 . 56 LEU AAA HB3 c 1 ATOM 894 H HB2 . LEU AAA 1 56 HB2 . LEU 56 -0.712 18.472 20.090 1.000 11.369 . 56 LEU AAA HB2 c 1 ATOM 895 C CG . LEU AAA 1 56 CG . LEU 56 -1.758 19.714 18.811 1.000 11.889 . 56 LEU AAA CG . 1 ATOM 896 H HG . LEU AAA 1 56 HG . LEU 56 -1.753 19.112 18.026 1.000 12.126 . 56 LEU AAA HG c 1 ATOM 897 C CD1 . LEU AAA 1 56 CD1 . LEU 56 -3.058 19.502 19.563 1.000 13.265 . 56 LEU AAA CD1 . 1 ATOM 898 H HD11 . LEU AAA 1 56 HD11 . LEU 56 -3.129 18.570 19.832 1.000 12.825 . 56 LEU AAA HD11 c 1 ATOM 899 H HD12 . LEU AAA 1 56 HD12 . LEU 56 -3.808 19.731 18.987 1.000 12.825 . 56 LEU AAA HD12 c 1 ATOM 900 H HD13 . LEU AAA 1 56 HD13 . LEU 56 -3.072 20.070 20.353 1.000 12.825 . 56 LEU AAA HD13 c 1 ATOM 901 C CD2 . LEU AAA 1 56 CD2 . LEU 56 -1.621 21.156 18.308 1.000 12.561 . 56 LEU AAA CD2 . 1 ATOM 902 H HD21 . LEU AAA 1 56 HD21 . LEU 56 -1.475 21.751 19.065 1.000 12.349 . 56 LEU AAA HD21 c 1 ATOM 903 H HD22 . LEU AAA 1 56 HD22 . LEU 56 -2.436 21.416 17.844 1.000 12.349 . 56 LEU AAA HD22 c 1 ATOM 904 H HD23 . LEU AAA 1 56 HD23 . LEU 56 -0.867 21.220 17.696 1.000 12.344 . 56 LEU AAA HD23 c 1 ATOM 905 C C . LEU AAA 1 56 C . LEU 56 1.983 19.468 19.896 1.000 10.411 . 56 LEU AAA C . 1 ATOM 906 O O . LEU AAA 1 56 O . LEU 56 1.926 20.272 20.820 1.000 10.287 . 56 LEU AAA O . 1 ATOM 908 N N . GLN AAA 1 57 N . GLN 57 3.028 18.695 19.675 1.000 10.371 . 57 GLN AAA N . 1 ATOM 909 H H . GLN AAA 1 57 H . GLN 57 3.035 18.044 19.043 1.000 10.445 . 57 GLN AAA H c 1 ATOM 910 C CA . GLN AAA 1 57 CA . GLN 57 4.310 18.814 20.424 1.000 10.620 . 57 GLN AAA CA . 1 ATOM 911 H HA . GLN AAA 1 57 HA . GLN 57 4.821 17.985 20.282 1.000 10.759 . 57 GLN AAA HA c 1 ATOM 912 C CB . GLN AAA 1 57 CB . GLN 57 5.099 19.980 19.827 1.000 10.580 . 57 GLN AAA CB . 1 ATOM 913 H HB3 . GLN AAA 1 57 HB3 . GLN 57 5.862 20.181 20.402 1.000 10.442 . 57 GLN AAA HB3 c 1 ATOM 914 H HB2 . GLN AAA 1 57 HB2 . GLN 57 4.522 20.772 19.802 1.000 10.433 . 57 GLN AAA HB2 c 1 ATOM 915 C CG . GLN AAA 1 57 CG . GLN 57 5.585 19.678 18.444 1.000 9.923 . 57 GLN AAA CG . 1 ATOM 916 H HG3 . GLN AAA 1 57 HG3 . GLN 57 5.919 20.504 18.036 1.000 10.087 . 57 GLN AAA HG3 c 1 ATOM 917 H HG2 . GLN AAA 1 57 HG2 . GLN 57 4.836 19.357 17.899 1.000 10.086 . 57 GLN AAA HG2 c 1 ATOM 918 C CD . GLN AAA 1 57 CD . GLN 57 6.681 18.648 18.431 1.000 9.978 . 57 GLN AAA CD . 1 ATOM 919 O OE1 . GLN AAA 1 57 OE1 . GLN 57 7.845 18.982 18.691 1.000 10.892 . 57 GLN AAA OE1 . 1 ATOM 920 N NE2 . GLN AAA 1 57 NE2 . GLN 57 6.337 17.383 18.113 1.000 9.277 . 57 GLN AAA NE2 . 1 ATOM 921 H HE21 . GLN AAA 1 57 HE21 . GLN 57 6.950 16.746 18.096 0.000 9.370 . 57 GLN AAA HE21 c 1 ATOM 922 H HE22 . GLN AAA 1 57 HE22 . GLN 57 5.493 17.184 17.925 0.000 9.370 . 57 GLN AAA HE22 c 1 ATOM 923 C C . GLN AAA 1 57 C . GLN 57 4.090 18.981 21.915 1.000 11.710 . 57 GLN AAA C . 1 ATOM 924 O O . GLN AAA 1 57 O . GLN 57 4.554 19.971 22.508 1.000 11.467 . 57 GLN AAA O . 1 ATOM 926 N N . ILE AAA 1 58 N . ILE 58 3.478 17.974 22.518 1.000 12.100 . 58 ILE AAA N . 1 ATOM 927 H H . ILE AAA 1 58 H . ILE 58 3.181 17.241 22.066 1.000 12.060 . 58 ILE AAA H c 1 ATOM 928 C CA . ILE AAA 1 58 CA . ILE 58 3.214 17.921 23.973 1.000 12.339 . 58 ILE AAA CA . 1 ATOM 929 H HA . ILE AAA 1 58 HA . ILE 58 2.937 18.812 24.255 1.000 12.230 . 58 ILE AAA HA c 1 ATOM 930 C CB . ILE AAA 1 58 CB . ILE 58 2.060 16.968 24.261 1.000 12.093 . 58 ILE AAA CB . 1 ATOM 931 H HB . ILE AAA 1 58 HB . ILE 58 2.240 16.104 23.818 1.000 12.297 . 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 12.131 . 58 ILE AAA CG1 . 1 ATOM 933 H HG12 . ILE AAA 1 58 HG12 . ILE 58 0.902 17.739 22.734 1.000 12.199 . 58 ILE AAA HG12 c 1 ATOM 934 H HG13 . ILE AAA 1 58 HG13 . ILE 58 0.590 18.411 24.136 1.000 12.199 . 58 ILE AAA HG13 c 1 ATOM 935 C CG2 . ILE AAA 1 58 CG2 . ILE 58 1.939 16.745 25.755 1.000 12.868 . 58 ILE AAA CG2 . 1 ATOM 936 H HG21 . ILE AAA 1 58 HG21 . ILE 58 2.757 16.344 26.094 1.000 12.622 . 58 ILE AAA HG21 c 1 ATOM 937 H HG22 . ILE AAA 1 58 HG22 . ILE 58 1.193 16.150 25.938 1.000 12.622 . 58 ILE AAA HG22 c 1 ATOM 938 C CD1 . ILE AAA 1 58 CD1 . ILE 58 -0.432 16.670 23.845 1.000 12.465 . 58 ILE AAA CD1 . 1 ATOM 939 H HD11 . ILE AAA 1 58 HD11 . ILE 58 -0.224 15.778 23.513 1.000 12.361 . 58 ILE AAA HD11 c 1 ATOM 940 H HD12 . ILE AAA 1 58 HD12 . ILE 58 -1.176 17.039 23.337 1.000 12.361 . 58 ILE AAA HD12 c 1 ATOM 941 H HD13 . ILE AAA 1 58 HD13 . ILE 58 -0.678 16.618 24.783 1.000 12.362 . 58 ILE AAA HD13 c 1 ATOM 942 H HG23 . ILE AAA 1 58 HG23 . ILE 58 1.789 17.596 26.201 1.000 12.621 . 58 ILE AAA HG23 c 1 ATOM 943 C C . ILE AAA 1 58 C . ILE 58 4.517 17.581 24.696 1.000 12.237 . 58 ILE AAA C . 1 ATOM 944 O O . ILE AAA 1 58 O . ILE 58 5.151 16.599 24.379 1.000 11.338 . 58 ILE AAA O . 1 ATOM 946 N N . ASN AAA 1 59 N . ASN 59 4.814 18.370 25.730 1.000 12.494 . 59 ASN AAA N . 1 ATOM 947 H H . ASN AAA 1 59 H . ASN 59 4.228 19.001 26.030 1.000 12.538 . 59 ASN AAA H c 1 ATOM 948 C CA . ASN AAA 1 59 CA . ASN 59 6.052 18.337 26.514 1.000 12.910 . 59 ASN AAA CA . 1 ATOM 949 H HA . ASN AAA 1 59 HA . ASN 59 6.799 18.163 25.895 1.000 13.072 . 59 ASN AAA HA c 1 ATOM 950 C CB . ASN AAA 1 59 CB . ASN 59 6.271 19.711 27.120 1.000 14.595 . 59 ASN AAA CB . 1 ATOM 951 H HB3 . ASN AAA 1 59 HB3 . ASN 59 5.663 19.825 27.879 1.000 14.410 . 59 ASN AAA HB3 c 1 ATOM 952 H HB2 . ASN AAA 1 59 HB2 . ASN 59 6.053 20.392 26.451 1.000 14.411 . 59 ASN AAA HB2 c 1 ATOM 953 C CG . ASN AAA 1 59 CG . ASN 59 7.685 19.916 27.587 1.000 15.650 . 59 ASN AAA CG . 1 ATOM 954 O OD1 . ASN AAA 1 59 OD1 . ASN 59 8.315 18.956 28.047 1.000 19.173 . 59 ASN AAA OD1 . 1 ATOM 955 N ND2 . ASN AAA 1 59 ND2 . ASN 59 8.183 21.142 27.451 1.000 17.808 . 59 ASN AAA ND2 . 1 ATOM 956 H HD21 . ASN AAA 1 59 HD21 . ASN 59 9.010 21.315 27.721 0.000 17.980 . 59 ASN AAA HD21 c 1 ATOM 957 H HD22 . ASN AAA 1 59 HD22 . ASN 59 7.691 21.788 27.106 0.000 17.980 . 59 ASN AAA HD22 c 1 ATOM 958 C C . ASN AAA 1 59 C . ASN 59 6.060 17.252 27.606 1.000 12.601 . 59 ASN AAA C . 1 ATOM 959 O O . ASN AAA 1 59 O . ASN 59 5.163 17.165 28.463 1.000 12.917 . 59 ASN AAA O . 1 ATOM 961 N N . SER AAA 1 60 N . SER 60 7.128 16.465 27.633 1.000 13.210 . 60 SER AAA N . 1 ATOM 962 H H . SER AAA 1 60 H . SER 60 7.799 16.517 27.018 1.000 12.814 . 60 SER AAA H c 1 ATOM 963 C CA . SER AAA 1 60 CA . SER 60 7.380 15.414 28.648 1.000 12.191 . 60 SER AAA CA . 1 ATOM 964 H HA . SER AAA 1 60 HA . SER 60 6.561 14.853 28.714 1.000 12.365 . 60 SER AAA HA c 1 ATOM 965 C CB . SER AAA 1 60 CB . SER 60 8.516 14.540 28.190 1.000 11.746 . 60 SER AAA CB . 1 ATOM 966 H HB3 . SER AAA 1 60 HB3 . SER 60 8.327 14.221 27.281 1.000 11.579 . 60 SER AAA HB3 c 1 ATOM 967 H HB2 . SER AAA 1 60 HB2 . SER 60 8.569 13.753 28.778 1.000 11.581 . 60 SER AAA HB2 c 1 ATOM 968 O OG . SER AAA 1 60 OG . SER 60 9.769 15.207 28.197 1.000 10.662 . 60 SER AAA OG . 1 ATOM 969 H HG . SER AAA 1 60 HG . SER 60 10.363 14.667 27.932 0.000 10.690 . 60 SER AAA HG c 1 ATOM 970 C C . SER AAA 1 60 C . SER 60 7.650 16.035 30.047 1.000 12.574 . 60 SER AAA C . 1 ATOM 971 O O . SER AAA 1 60 O . SER 60 7.731 15.301 31.039 1.000 13.141 . 60 SER AAA O . 1 ATOM 973 N N . ARG AAA 1 61 N . ARG 61 7.881 17.335 30.144 1.000 13.134 . 61 ARG AAA N . 1 ATOM 974 H H . ARG AAA 1 61 H . ARG 61 7.882 17.900 29.433 1.000 13.101 . 61 ARG AAA H c 1 ATOM 975 C CA . ARG AAA 1 61 CA . ARG 61 8.197 17.977 31.440 1.000 13.525 . 61 ARG AAA CA . 1 ATOM 976 H HA . ARG AAA 1 61 HA . ARG 61 8.955 17.498 31.847 1.000 13.708 . 61 ARG AAA HA c 1 ATOM 977 C CB . ARG AAA 1 61 CB . ARG 61 8.602 19.453 31.221 1.000 14.417 . 61 ARG AAA CB . 1 ATOM 978 H HB3 . ARG AAA 1 61 HB3 . ARG 61 7.914 19.880 30.670 1.000 14.494 . 61 ARG AAA HB3 c 1 ATOM 979 H HB2 . ARG AAA 1 61 HB2 . ARG 61 9.439 19.467 30.712 1.000 14.499 . 61 ARG AAA HB2 c 1 ATOM 980 C CG . ARG AAA 1 61 CG . ARG 61 8.793 20.291 32.487 1.000 15.731 . 61 ARG AAA CG . 1 ATOM 981 H HG3 . ARG AAA 1 61 HG3 . ARG 61 8.109 20.046 33.142 1.000 15.472 . 61 ARG AAA HG3 c 1 ATOM 982 H HG2 . ARG AAA 1 61 HG2 . ARG 61 8.656 21.236 32.261 1.000 15.465 . 61 ARG AAA HG2 c 1 ATOM 983 C CD . ARG AAA 1 61 CD . ARG 61 10.145 20.148 33.117 0.500 15.956 . 61 ARG AAA CD . 1 ATOM 984 H HD3 . ARG AAA 1 61 HD3 . ARG 61 10.807 20.617 32.565 0.500 15.904 . 61 ARG AAA HD3 c 1 ATOM 985 H HD2 . ARG AAA 1 61 HD2 . ARG 61 10.391 19.199 33.137 0.500 15.904 . 61 ARG AAA HD2 c 1 ATOM 986 N NE . ARG AAA 1 61 NE . ARG 61 10.191 20.679 34.467 0.500 15.961 . 61 ARG AAA NE . 1 ATOM 987 H HE . ARG AAA 1 61 HE . ARG 61 10.674 21.391 34.609 0.500 16.233 . 61 ARG AAA HE c 1 ATOM 988 C CZ . ARG AAA 1 61 CZ . ARG 61 9.619 20.107 35.513 0.500 16.842 . 61 ARG AAA CZ . 1 ATOM 989 N NH1 . ARG AAA 1 61 NH1 . ARG 61 8.869 19.021 35.384 0.500 17.981 . 61 ARG AAA NH1 . 1 ATOM 990 H HH11 . ARG AAA 1 61 HH11 . ARG 61 8.784 18.635 34.600 0.500 17.521 . 61 ARG AAA HH11 c 1 ATOM 991 H HH12 . ARG AAA 1 61 HH12 . ARG 61 8.488 18.669 36.093 0.500 17.529 . 61 ARG AAA HH12 c 1 ATOM 992 N NH2 . ARG AAA 1 61 NH2 . ARG 61 9.733 20.662 36.700 0.500 17.103 . 61 ARG AAA NH2 . 1 ATOM 993 H HH21 . ARG AAA 1 61 HH21 . ARG 61 10.214 21.394 36.798 0.500 17.009 . 61 ARG AAA HH21 c 1 ATOM 994 H HH22 . ARG AAA 1 61 HH22 . ARG 61 9.333 20.297 37.395 0.500 17.009 . 61 ARG AAA HH22 c 1 ATOM 995 C C . ARG AAA 1 61 C . ARG 61 6.975 17.844 32.369 1.000 13.992 . 61 ARG AAA C . 1 ATOM 996 O O . ARG AAA 1 61 O . ARG 61 7.130 17.687 33.601 1.000 13.538 . 61 ARG AAA O . 1 ATOM 998 N N . TRP AAA 1 62 N . TRP 62 5.762 17.943 31.827 1.000 14.451 . 62 TRP AAA N . 1 ATOM 999 H H . TRP AAA 1 62 H . TRP 62 5.626 18.029 30.932 1.000 14.075 . 62 TRP AAA H c 1 ATOM 1000 C CA . TRP AAA 1 62 CA . TRP 62 4.512 17.974 32.618 1.000 13.376 . 62 TRP AAA CA . 1 ATOM 1001 H HA . TRP AAA 1 62 HA . TRP 62 4.746 17.780 33.555 1.000 13.885 . 62 TRP AAA HA c 1 ATOM 1002 C CB . TRP AAA 1 62 CB . TRP 62 3.863 19.344 32.587 1.000 14.570 . 62 TRP AAA CB . 1 ATOM 1003 H HB3 . TRP AAA 1 62 HB3 . TRP 62 3.101 19.332 33.202 1.000 14.653 . 62 TRP AAA HB3 c 1 ATOM 1004 H HB2 . TRP AAA 1 62 HB2 . TRP 62 3.510 19.491 31.685 1.000 14.657 . 62 TRP AAA HB2 c 1 ATOM 1005 C CG . TRP AAA 1 62 CG . TRP 62 4.747 20.488 32.945 1.000 16.264 . 62 TRP AAA CG . 1 ATOM 1006 C CD1 . TRP AAA 1 62 CD1 . TRP 62 5.069 21.519 32.125 1.000 16.938 . 62 TRP AAA CD1 . 1 ATOM 1007 H HD1 . TRP AAA 1 62 HD1 . TRP 62 4.782 21.618 31.230 1.000 17.225 . 62 TRP AAA HD1 c 1 ATOM 1008 N NE1 . TRP AAA 1 62 NE1 . TRP 62 5.906 22.379 32.774 1.000 18.145 . 62 TRP AAA NE1 . 1 ATOM 1009 H HE1 . TRP AAA 1 62 HE1 . TRP 62 6.227 23.119 32.430 1.000 17.953 . 62 TRP AAA HE1 c 1 ATOM 1010 C CE2 . TRP AAA 1 62 CE2 . TRP 62 6.113 21.952 34.063 1.000 18.344 . 62 TRP AAA CE2 . 1 ATOM 1011 C CD2 . TRP AAA 1 62 CD2 . TRP 62 5.412 20.737 34.208 1.000 17.537 . 62 TRP AAA CD2 . 1 ATOM 1012 C CE3 . TRP AAA 1 62 CE3 . TRP 62 5.475 20.052 35.417 1.000 18.088 . 62 TRP AAA CE3 . 1 ATOM 1013 H HE3 . TRP AAA 1 62 HE3 . TRP 62 4.993 19.251 35.546 1.000 18.329 . 62 TRP AAA HE3 c 1 ATOM 1014 C CZ3 . TRP AAA 1 62 CZ3 . TRP 62 6.198 20.611 36.434 1.000 19.830 . 62 TRP AAA CZ3 . 1 ATOM 1015 H HZ3 . TRP AAA 1 62 HZ3 . TRP 62 6.260 20.155 37.259 1.000 19.254 . 62 TRP AAA HZ3 c 1 ATOM 1016 C CH2 . TRP AAA 1 62 CH2 . TRP 62 6.934 21.796 36.253 1.000 19.968 . 62 TRP AAA CH2 . 1 ATOM 1017 H HH2 . TRP AAA 1 62 HH2 . TRP 62 7.425 22.146 36.975 1.000 19.839 . 62 TRP AAA HH2 c 1 ATOM 1018 C CZ2 . TRP AAA 1 62 CZ2 . TRP 62 6.882 22.504 35.073 1.000 20.867 . 62 TRP AAA CZ2 . 1 ATOM 1019 H HZ2 . TRP AAA 1 62 HZ2 . TRP 62 7.358 23.307 34.949 1.000 19.760 . 62 TRP AAA HZ2 c 1 ATOM 1020 C C . TRP AAA 1 62 C . TRP 62 3.463 16.950 32.165 1.000 13.795 . 62 TRP AAA C . 1 ATOM 1021 O O . TRP AAA 1 62 O . TRP 62 2.708 16.478 33.046 1.000 13.349 . 62 TRP AAA O . 1 ATOM 1023 N N . TRP AAA 1 63 N . TRP 63 3.377 16.622 30.887 1.000 13.139 . 63 TRP AAA N . 1 ATOM 1024 H H . TRP AAA 1 63 H . TRP 63 4.025 16.786 30.270 1.000 13.262 . 63 TRP AAA H c 1 ATOM 1025 C CA . TRP AAA 1 63 CA . TRP 63 2.180 15.920 30.352 1.000 13.019 . 63 TRP AAA CA . 1 ATOM 1026 H HA . TRP AAA 1 63 HA . TRP 63 1.459 16.033 31.014 1.000 12.899 . 63 TRP AAA HA c 1 ATOM 1027 C CB . TRP AAA 1 63 CB . TRP 63 1.744 16.639 29.104 1.000 12.197 . 63 TRP AAA CB . 1 ATOM 1028 H HB3 . TRP AAA 1 63 HB3 . TRP 63 0.878 16.291 28.821 1.000 12.422 . 63 TRP AAA HB3 c 1 ATOM 1029 H HB2 . TRP AAA 1 63 HB2 . TRP 63 2.396 16.470 28.396 1.000 12.423 . 63 TRP AAA HB2 c 1 ATOM 1030 C CG . TRP AAA 1 63 CG . TRP 63 1.645 18.098 29.364 1.000 12.343 . 63 TRP AAA CG . 1 ATOM 1031 C CD1 . TRP AAA 1 63 CD1 . TRP 63 2.497 19.091 28.939 1.000 12.043 . 63 TRP AAA CD1 . 1 ATOM 1032 H HD1 . TRP AAA 1 63 HD1 . TRP 63 3.270 18.972 28.411 1.000 12.310 . 63 TRP AAA HD1 c 1 ATOM 1033 N NE1 . TRP AAA 1 63 NE1 . TRP 63 2.074 20.286 29.460 1.000 12.566 . 63 TRP AAA NE1 . 1 ATOM 1034 H HE1 . TRP AAA 1 63 HE1 . TRP 63 2.457 21.055 29.314 1.000 12.525 . 63 TRP AAA HE1 c 1 ATOM 1035 C CE2 . TRP AAA 1 63 CE2 . TRP 63 0.943 20.097 30.192 1.000 12.663 . 63 TRP AAA CE2 . 1 ATOM 1036 C CD2 . TRP AAA 1 63 CD2 . TRP 63 0.645 18.716 30.181 1.000 11.981 . 63 TRP AAA CD2 . 1 ATOM 1037 C CE3 . TRP AAA 1 63 CE3 . TRP 63 -0.492 18.243 30.869 1.000 12.970 . 63 TRP AAA CE3 . 1 ATOM 1038 H HE3 . TRP AAA 1 63 HE3 . TRP 63 -0.705 17.325 30.873 1.000 12.965 . 63 TRP AAA HE3 c 1 ATOM 1039 C CZ3 . TRP AAA 1 63 CZ3 . TRP 63 -1.279 19.159 31.550 1.000 14.201 . 63 TRP AAA CZ3 . 1 ATOM 1040 H HZ3 . TRP AAA 1 63 HZ3 . TRP 63 -2.031 18.859 32.036 1.000 13.548 . 63 TRP AAA HZ3 c 1 ATOM 1041 C CH2 . TRP AAA 1 63 CH2 . TRP 63 -0.941 20.514 31.574 1.000 13.306 . 63 TRP AAA CH2 . 1 ATOM 1042 H HH2 . TRP AAA 1 63 HH2 . TRP 63 -1.499 21.110 32.042 1.000 13.232 . 63 TRP AAA HH2 c 1 ATOM 1043 C CZ2 . TRP AAA 1 63 CZ2 . TRP 63 0.158 21.023 30.898 1.000 12.526 . 63 TRP AAA CZ2 . 1 ATOM 1044 H HZ2 . TRP AAA 1 63 HZ2 . TRP 63 0.361 21.943 30.900 1.000 12.736 . 63 TRP AAA HZ2 c 1 ATOM 1045 C C . TRP AAA 1 63 C . TRP 63 2.299 14.421 30.049 1.000 13.113 . 63 TRP AAA C . 1 ATOM 1046 O O . TRP AAA 1 63 O . TRP 63 1.301 13.724 30.114 1.000 13.082 . 63 TRP AAA O . 1 ATOM 1048 N N . CYS AAA 1 64 N . CYS 64 3.469 13.886 29.709 1.000 13.819 . 64 CYS AAA N . 1 ATOM 1049 H H . CYS AAA 1 64 H . CYS 64 4.254 14.344 29.649 1.000 13.533 . 64 CYS AAA H c 1 ATOM 1050 C CA . CYS AAA 1 64 CA . CYS 64 3.595 12.466 29.381 1.000 13.342 . 64 CYS AAA CA . 1 ATOM 1051 H HA . CYS AAA 1 64 HA . CYS 64 2.856 11.984 29.811 1.000 13.240 . 64 CYS AAA HA c 1 ATOM 1052 C CB . CYS AAA 1 64 CB . CYS 64 3.499 12.243 27.871 1.000 13.308 . 64 CYS AAA CB . 1 ATOM 1053 H HB3 . CYS AAA 1 64 HB3 . CYS 64 2.629 12.566 27.559 1.000 13.032 . 64 CYS AAA HB3 c 1 ATOM 1054 H HB2 . CYS AAA 1 64 HB2 . CYS 64 3.542 11.282 27.690 1.000 13.033 . 64 CYS AAA HB2 c 1 ATOM 1055 S SG . CYS AAA 1 64 SG . CYS 64 4.795 13.066 26.898 1.000 12.142 . 64 CYS AAA SG . 1 ATOM 1056 C C . CYS AAA 1 64 C . CYS 64 4.906 11.907 29.910 1.000 12.401 . 64 CYS AAA C . 1 ATOM 1057 O O . CYS AAA 1 64 O . CYS 64 5.825 12.679 30.222 1.000 12.758 . 64 CYS AAA O . 1 ATOM 1059 N N . ASN AAA 1 65 N . ASN 65 4.983 10.594 29.985 1.000 13.533 . 65 ASN AAA N . 1 ATOM 1060 H H . ASN AAA 1 65 H . ASN 65 4.314 10.027 29.736 1.000 13.171 . 65 ASN AAA H c 1 ATOM 1061 C CA . ASN AAA 1 65 CA . ASN 65 6.205 9.951 30.497 1.000 13.158 . 65 ASN AAA CA . 1 ATOM 1062 H HA . ASN AAA 1 65 HA . ASN 65 6.723 10.618 31.002 1.000 13.361 . 65 ASN AAA HA c 1 ATOM 1063 C CB . ASN AAA 1 65 CB . ASN 65 5.882 8.811 31.439 1.000 13.925 . 65 ASN AAA CB . 1 ATOM 1064 H HB3 . ASN AAA 1 65 HB3 . ASN 65 5.254 8.198 31.006 1.000 13.792 . 65 ASN AAA HB3 c 1 ATOM 1065 H HB2 . ASN AAA 1 65 HB2 . ASN 65 5.463 9.167 32.250 1.000 13.788 . 65 ASN AAA HB2 c 1 ATOM 1066 C CG . ASN AAA 1 65 CG . ASN 65 7.147 8.067 31.807 1.000 14.126 . 65 ASN AAA CG . 1 ATOM 1067 O OD1 . ASN AAA 1 65 OD1 . ASN 65 7.226 6.865 31.513 1.000 16.187 . 65 ASN AAA OD1 . 1 ATOM 1068 N ND2 . ASN AAA 1 65 ND2 . ASN 65 8.117 8.743 32.397 1.000 15.235 . 65 ASN AAA ND2 . 1 ATOM 1069 H HD21 . ASN AAA 1 65 HD21 . ASN 65 8.866 8.339 32.630 0.000 15.400 . 65 ASN AAA HD21 c 1 ATOM 1070 H HD22 . ASN AAA 1 65 HD22 . ASN 65 8.010 9.607 32.575 0.000 15.400 . 65 ASN AAA HD22 c 1 ATOM 1071 C C . ASN AAA 1 65 C . ASN 65 7.068 9.415 29.368 1.000 13.059 . 65 ASN AAA C . 1 ATOM 1072 O O . ASN AAA 1 65 O . ASN 65 6.563 8.580 28.605 1.000 12.344 . 65 ASN AAA O . 1 ATOM 1074 N N . ASP AAA 1 66 N . ASP 66 8.318 9.854 29.259 1.000 13.093 . 66 ASP AAA N . 1 ATOM 1075 H H . ASP AAA 1 66 H . ASP 66 8.670 10.524 29.766 1.000 13.172 . 66 ASP AAA H c 1 ATOM 1076 C CA . ASP AAA 1 66 CA . ASP 66 9.227 9.279 28.244 1.000 13.456 . 66 ASP AAA CA . 1 ATOM 1077 H HA . ASP AAA 1 66 HA . ASP 66 8.724 8.589 27.754 1.000 13.191 . 66 ASP AAA HA c 1 ATOM 1078 C CB . ASP AAA 1 66 CB . ASP 66 9.667 10.313 27.215 1.000 12.554 . 66 ASP AAA CB . 1 ATOM 1079 H HB3 . ASP AAA 1 66 HB3 . ASP 66 8.874 10.696 26.794 1.000 12.876 . 66 ASP AAA HB3 c 1 ATOM 1080 H HB2 . ASP AAA 1 66 HB2 . ASP 66 10.185 9.857 26.520 1.000 12.881 . 66 ASP AAA HB2 c 1 ATOM 1081 C CG . ASP AAA 1 66 CG . ASP 66 10.518 11.459 27.754 1.000 13.056 . 66 ASP AAA CG . 1 ATOM 1082 O OD1 . ASP AAA 1 66 OD1 . ASP 66 10.897 11.446 28.973 1.000 11.431 . 66 ASP AAA OD1 . 1 ATOM 1083 O OD2 . ASP AAA 1 66 OD2 . ASP 66 10.852 12.330 26.947 1.000 11.912 . 66 ASP AAA OD2 . 1 ATOM 1084 C C . ASP AAA 1 66 C . ASP 66 10.419 8.582 28.919 1.000 13.367 . 66 ASP AAA C . 1 ATOM 1085 O O . ASP AAA 1 66 O . ASP 66 11.327 8.144 28.220 1.000 14.476 . 66 ASP AAA O . 1 ATOM 1087 N N . GLY AAA 1 67 N . GLY 67 10.437 8.533 30.247 1.000 13.624 . 67 GLY AAA N . 1 ATOM 1088 H H . GLY AAA 1 67 H . GLY 67 9.807 8.937 30.757 1.000 13.544 . 67 GLY AAA H c 1 ATOM 1089 C CA . GLY AAA 1 67 CA . GLY 67 11.470 7.849 31.020 1.000 13.535 . 67 GLY AAA CA . 1 ATOM 1090 H HA3 . GLY AAA 1 67 HA3 . GLY 67 11.573 6.930 30.668 1.000 13.870 . 67 GLY AAA HA3 c 1 ATOM 1091 H HA2 . GLY AAA 1 67 HA2 . GLY 67 11.169 7.779 31.961 1.000 13.870 . 67 GLY AAA HA2 c 1 ATOM 1092 C C . GLY AAA 1 67 C . GLY 67 12.825 8.554 30.981 1.000 14.920 . 67 GLY AAA C . 1 ATOM 1093 O O . GLY AAA 1 67 O . GLY 67 13.788 8.003 31.544 1.000 14.623 . 67 GLY AAA O . 1 ATOM 1095 N N . ARG AAA 1 68 N . ARG 68 12.931 9.744 30.375 1.000 15.102 . 68 ARG AAA N . 1 ATOM 1096 H H . ARG AAA 1 68 H . ARG 68 12.244 10.192 29.984 1.000 14.886 . 68 ARG AAA H c 1 ATOM 1097 C CA . ARG AAA 1 68 CA . ARG 68 14.246 10.427 30.340 1.000 14.397 . 68 ARG AAA CA . 1 ATOM 1098 H HA . ARG AAA 1 68 HA . ARG 68 14.820 10.025 31.031 1.000 14.675 . 68 ARG AAA HA c 1 ATOM 1099 C CB . ARG AAA 1 68 CB . ARG 68 14.881 10.167 28.976 1.000 15.132 . 68 ARG AAA CB . 1 ATOM 1100 H HB3 . ARG AAA 1 68 HB3 . ARG 68 14.824 9.208 28.781 1.000 15.295 . 68 ARG AAA HB3 c 1 ATOM 1101 H HB2 . ARG AAA 1 68 HB2 . ARG 68 15.830 10.409 29.021 1.000 15.302 . 68 ARG AAA HB2 c 1 ATOM 1102 C CG . ARG AAA 1 68 CG . ARG 68 14.224 10.940 27.845 1.000 16.638 . 68 ARG AAA CG . 1 ATOM 1103 H HG3 . ARG AAA 1 68 HG3 . ARG 68 14.073 11.868 28.112 1.000 16.380 . 68 ARG AAA HG3 c 1 ATOM 1104 H HG2 . ARG AAA 1 68 HG2 . ARG 68 13.359 10.534 27.624 1.000 16.386 . 68 ARG AAA HG2 c 1 ATOM 1105 C CD . ARG AAA 1 68 CD . ARG 68 15.119 10.906 26.633 1.000 17.150 . 68 ARG AAA CD . 1 ATOM 1106 H HD3 . ARG AAA 1 68 HD3 . ARG 68 15.063 10.015 26.227 1.000 17.140 . 68 ARG AAA HD3 c 1 ATOM 1107 H HD2 . ARG AAA 1 68 HD2 . ARG 68 16.048 11.048 26.915 1.000 17.124 . 68 ARG AAA HD2 c 1 ATOM 1108 N NE . ARG AAA 1 68 NE . ARG 68 14.775 11.897 25.643 1.000 17.598 . 68 ARG AAA NE . 1 ATOM 1109 H HE . ARG AAA 1 68 HE . ARG 68 14.229 12.534 25.880 1.000 18.142 . 68 ARG AAA HE c 1 ATOM 1110 C CZ . ARG AAA 1 68 CZ . ARG 68 15.251 11.929 24.403 1.000 20.267 . 68 ARG AAA CZ . 1 ATOM 1111 N NH1 . ARG AAA 1 68 NH1 . ARG 68 16.092 10.988 23.999 1.000 19.157 . 68 ARG AAA NH1 . 1 ATOM 1112 H HH11 . ARG AAA 1 68 HH11 . ARG 68 16.345 10.352 24.547 1.000 19.393 . 68 ARG AAA HH11 c 1 ATOM 1113 H HH12 . ARG AAA 1 68 HH12 . ARG 68 16.414 11.016 23.183 1.000 19.399 . 68 ARG AAA HH12 c 1 ATOM 1114 N NH2 . ARG AAA 1 68 NH2 . ARG 68 14.876 12.921 23.586 1.000 18.882 . 68 ARG AAA NH2 . 1 ATOM 1115 H HH21 . ARG AAA 1 68 HH21 . ARG 68 14.307 13.529 23.869 1.000 19.200 . 68 ARG AAA HH21 c 1 ATOM 1116 H HH22 . ARG AAA 1 68 HH22 . ARG 68 15.179 12.947 22.759 1.000 19.211 . 68 ARG AAA HH22 c 1 ATOM 1117 C C . ARG AAA 1 68 C . ARG 68 14.160 11.922 30.615 1.000 14.437 . 68 ARG AAA C . 1 ATOM 1118 O O . ARG AAA 1 68 O . ARG 68 14.990 12.696 30.125 1.000 15.373 . 68 ARG AAA O . 1 ATOM 1120 N N . THR AAA 1 69 N . THR 69 13.174 12.349 31.390 1.000 15.748 . 69 THR AAA N . 1 ATOM 1121 H H . THR AAA 1 69 H . THR 69 12.526 11.806 31.729 1.000 15.344 . 69 THR AAA H c 1 ATOM 1122 C CA . THR AAA 1 69 CA . THR 69 13.012 13.754 31.790 1.000 15.381 . 69 THR AAA CA . 1 ATOM 1123 H HA . THR AAA 1 69 HA . THR 69 13.801 14.267 31.506 1.000 15.707 . 69 THR AAA HA c 1 ATOM 1124 C CB . THR AAA 1 69 CB . THR 69 11.742 14.374 31.164 1.000 15.934 . 69 THR AAA CB . 1 ATOM 1125 H HB . THR AAA 1 69 HB . THR 69 10.963 13.992 31.632 1.000 15.231 . 69 THR AAA HB c 1 ATOM 1126 O OG1 . THR AAA 1 69 OG1 . THR 69 11.614 14.062 29.773 1.000 13.758 . 69 THR AAA OG1 . 1 ATOM 1127 H HG1 . THR AAA 1 69 HG1 . THR 69 10.909 14.421 29.466 0.000 13.890 . 69 THR AAA HG1 c 1 ATOM 1128 C CG2 . THR AAA 1 69 CG2 . THR 69 11.708 15.878 31.345 1.000 15.065 . 69 THR AAA CG2 . 1 ATOM 1129 H HG21 . THR AAA 1 69 HG21 . THR 69 11.808 16.096 32.289 1.000 15.333 . 69 THR AAA HG21 c 1 ATOM 1130 H HG22 . THR AAA 1 69 HG22 . THR 69 10.858 16.226 31.020 1.000 15.328 . 69 THR AAA HG22 c 1 ATOM 1131 H HG23 . THR AAA 1 69 HG23 . THR 69 12.437 16.283 30.842 1.000 15.328 . 69 THR AAA HG23 c 1 ATOM 1132 C C . THR AAA 1 69 C . THR 69 12.965 13.684 33.313 1.000 16.175 . 69 THR AAA C . 1 ATOM 1133 O O . THR AAA 1 69 O . THR 69 11.889 13.886 33.889 1.000 15.204 . 69 THR AAA O . 1 ATOM 1134 N N . PRO AAA 1 70 N . PRO 70 14.077 13.347 33.988 1.000 15.990 . 70 PRO AAA N . 1 ATOM 1135 C CA . PRO AAA 1 70 CA . PRO 70 14.073 13.178 35.442 1.000 17.056 . 70 PRO AAA CA . 1 ATOM 1136 H HA . PRO AAA 1 70 HA . PRO 70 13.574 12.353 35.667 1.000 16.651 . 70 PRO AAA HA c 1 ATOM 1137 C CB . PRO AAA 1 70 CB . PRO 70 15.561 12.974 35.784 1.000 16.367 . 70 PRO AAA CB . 1 ATOM 1138 H HB3 . PRO AAA 1 70 HB3 . PRO 70 15.777 12.020 35.864 1.000 16.563 . 70 PRO AAA HB3 c 1 ATOM 1139 H HB2 . PRO AAA 1 70 HB2 . PRO 70 15.797 13.427 36.621 1.000 16.563 . 70 PRO AAA HB2 c 1 ATOM 1140 C CG . PRO AAA 1 70 CG . PRO 70 16.278 13.591 34.617 1.000 16.521 . 70 PRO AAA CG . 1 ATOM 1141 H HG3 . PRO AAA 1 70 HG3 . PRO 70 17.180 13.222 34.527 1.000 16.669 . 70 PRO AAA HG3 c 1 ATOM 1142 H HG2 . PRO AAA 1 70 HG2 . PRO 70 16.341 14.563 34.720 1.000 16.669 . 70 PRO AAA HG2 c 1 ATOM 1143 C CD . PRO AAA 1 70 CD . PRO 70 15.427 13.232 33.421 1.000 17.322 . 70 PRO AAA CD . 1 ATOM 1144 H HD3 . PRO AAA 1 70 HD3 . PRO 70 15.608 12.324 33.113 1.000 16.805 . 70 PRO AAA HD3 c 1 ATOM 1145 H HD2 . PRO AAA 1 70 HD2 . PRO 70 15.564 13.858 32.687 1.000 16.804 . 70 PRO AAA HD2 c 1 ATOM 1146 C C . PRO AAA 1 70 C . PRO 70 13.433 14.376 36.138 1.000 16.721 . 70 PRO AAA C . 1 ATOM 1147 O O . PRO AAA 1 70 O . PRO 70 13.632 15.536 35.783 1.000 17.887 . 70 PRO AAA O . 1 ATOM 1149 N N . GLY AAA 1 71 N . GLY 71 12.576 14.079 37.091 1.000 16.100 . 71 GLY AAA N . 1 ATOM 1150 H H . GLY AAA 1 71 H . GLY 71 12.359 13.219 37.299 1.000 16.342 . 71 GLY AAA H c 1 ATOM 1151 C CA . GLY AAA 1 71 CA . GLY 71 11.884 15.088 37.920 1.000 16.507 . 71 GLY AAA CA . 1 ATOM 1152 H HA3 . GLY AAA 1 71 HA3 . GLY 71 12.503 15.841 38.094 1.000 16.667 . 71 GLY AAA HA3 c 1 ATOM 1153 H HA2 . GLY AAA 1 71 HA2 . GLY 71 11.652 14.680 38.791 1.000 16.665 . 71 GLY AAA HA2 c 1 ATOM 1154 C C . GLY AAA 1 71 C . GLY 71 10.622 15.621 37.269 1.000 17.621 . 71 GLY AAA C . 1 ATOM 1155 O O . GLY AAA 1 71 O . GLY 71 9.994 16.560 37.818 1.000 17.876 . 71 GLY AAA O . 1 ATOM 1157 N N . SER AAA 1 72 N . SER 72 10.222 15.068 36.131 1.000 16.442 . 72 SER AAA N . 1 ATOM 1158 H H . SER AAA 1 72 H . SER 72 10.617 14.350 35.736 1.000 16.708 . 72 SER AAA H c 1 ATOM 1159 C CA . SER AAA 1 72 CA . SER 72 9.044 15.567 35.382 1.000 16.431 . 72 SER AAA CA . 1 ATOM 1160 H HA . SER AAA 1 72 HA . SER 72 8.975 16.543 35.535 1.000 16.548 . 72 SER AAA HA c 1 ATOM 1161 C CB . SER AAA 1 72 CB . SER 72 9.236 15.330 33.888 1.000 16.922 . 72 SER AAA CB . 1 ATOM 1162 H HB3 . SER AAA 1 72 HB3 . SER 72 10.103 15.696 33.611 1.000 16.808 . 72 SER AAA HB3 c 1 ATOM 1163 H HB2 . SER AAA 1 72 HB2 . SER 72 8.536 15.801 33.393 1.000 16.792 . 72 SER AAA HB2 c 1 ATOM 1164 O OG . SER AAA 1 72 OG . SER 72 9.181 13.952 33.572 1.000 17.004 . 72 SER AAA OG . 1 ATOM 1165 H HG . SER AAA 1 72 HG . SER 72 9.299 13.866 32.740 0.000 17.050 . 72 SER AAA HG c 1 ATOM 1166 C C . SER AAA 1 72 C . SER 72 7.740 14.920 35.856 1.000 16.486 . 72 SER AAA C . 1 ATOM 1167 O O . SER AAA 1 72 O . SER 72 7.741 13.947 36.646 1.000 16.510 . 72 SER AAA O . 1 ATOM 1169 N N . ARG AAA 1 73 N . ARG 73 6.625 15.469 35.380 1.000 15.983 . 73 ARG AAA N . 1 ATOM 1170 H H . ARG AAA 1 73 H . ARG 73 6.616 16.205 34.844 1.000 16.352 . 73 ARG AAA H c 1 ATOM 1171 C CA . ARG AAA 1 73 CA . ARG 73 5.304 14.917 35.692 1.000 17.075 . 73 ARG AAA CA . 1 ATOM 1172 H HA . ARG AAA 1 73 HA . ARG 73 5.404 14.255 36.414 1.000 16.738 . 73 ARG AAA HA c 1 ATOM 1173 C CB . ARG AAA 1 73 CB . ARG 73 4.384 16.033 36.183 1.000 16.658 . 73 ARG AAA CB . 1 ATOM 1174 H HB3 . ARG AAA 1 73 HB3 . ARG 73 3.522 15.639 36.432 1.000 16.913 . 73 ARG AAA HB3 c 1 ATOM 1175 H HB2 . ARG AAA 1 73 HB2 . ARG 73 4.227 16.657 35.444 1.000 16.900 . 73 ARG AAA HB2 c 1 ATOM 1176 C CG . ARG AAA 1 73 CG . ARG 73 4.936 16.805 37.370 1.000 17.312 . 73 ARG AAA CG . 1 ATOM 1177 H HG3 . ARG AAA 1 73 HG3 . ARG 73 5.652 17.408 37.075 1.000 17.535 . 73 ARG AAA HG3 c 1 ATOM 1178 H HG2 . ARG AAA 1 73 HG2 . ARG 73 5.302 16.183 38.035 1.000 17.535 . 73 ARG AAA HG2 c 1 ATOM 1179 C CD . ARG AAA 1 73 CD . ARG 73 3.815 17.609 37.987 0.500 18.999 . 73 ARG AAA CD . 1 ATOM 1180 H HD3 . ARG AAA 1 73 HD3 . ARG 73 3.035 17.027 38.113 0.500 18.685 . 73 ARG AAA HD3 c 1 ATOM 1181 H HD2 . ARG AAA 1 73 HD2 . ARG 73 3.556 18.324 37.367 0.500 18.694 . 73 ARG AAA HD2 c 1 ATOM 1182 N NE . ARG AAA 1 73 NE . ARG 73 4.169 18.194 39.255 0.500 19.468 . 73 ARG AAA NE . 1 ATOM 1183 H HE . ARG AAA 1 73 HE . ARG 73 4.999 18.131 39.516 0.500 19.463 . 73 ARG AAA HE c 1 ATOM 1184 C CZ . ARG AAA 1 73 CZ . ARG 73 3.300 18.750 40.097 0.500 19.748 . 73 ARG AAA CZ . 1 ATOM 1185 N NH1 . ARG AAA 1 73 NH1 . ARG 73 2.028 18.875 39.769 0.500 20.877 . 73 ARG AAA NH1 . 1 ATOM 1186 H HH11 . ARG AAA 1 73 HH11 . ARG 73 1.739 18.550 39.006 0.500 20.446 . 73 ARG AAA HH11 c 1 ATOM 1187 H HH12 . ARG AAA 1 73 HH12 . ARG 73 1.468 19.258 40.329 0.500 20.446 . 73 ARG AAA HH12 c 1 ATOM 1188 N NH2 . ARG AAA 1 73 NH2 . ARG 73 3.724 19.240 41.236 0.500 19.821 . 73 ARG AAA NH2 . 1 ATOM 1189 H HH21 . ARG AAA 1 73 HH21 . ARG 73 4.575 19.173 41.452 0.500 19.809 . 73 ARG AAA HH21 c 1 ATOM 1190 H HH22 . ARG AAA 1 73 HH22 . ARG 73 3.155 19.629 41.785 0.500 19.809 . 73 ARG AAA HH22 c 1 ATOM 1191 C C . ARG AAA 1 73 C . ARG 73 4.738 14.207 34.458 1.000 16.848 . 73 ARG AAA C . 1 ATOM 1192 O O . ARG AAA 1 73 O . ARG 73 5.290 14.326 33.371 1.000 15.433 . 73 ARG AAA O . 1 ATOM 1194 N N . ASN AAA 1 74 N . ASN 74 3.619 13.516 34.653 1.000 16.371 . 74 ASN AAA N . 1 ATOM 1195 H H . ASN AAA 1 74 H . ASN 74 3.216 13.467 35.470 1.000 16.545 . 74 ASN AAA H c 1 ATOM 1196 C CA . ASN AAA 1 74 CA . ASN 74 2.913 12.752 33.603 1.000 16.655 . 74 ASN AAA CA . 1 ATOM 1197 H HA . ASN AAA 1 74 HA . ASN 74 3.170 13.097 32.716 1.000 16.010 . 74 ASN AAA HA c 1 ATOM 1198 C CB . ASN AAA 1 74 CB . ASN 74 3.276 11.267 33.683 1.000 15.825 . 74 ASN AAA CB . 1 ATOM 1199 H HB3 . ASN AAA 1 74 HB3 . ASN 74 3.086 10.946 34.588 1.000 15.806 . 74 ASN AAA HB3 c 1 ATOM 1200 H HB2 . ASN AAA 1 74 HB2 . ASN 74 4.237 11.171 33.527 1.000 15.810 . 74 ASN AAA HB2 c 1 ATOM 1201 C CG . ASN AAA 1 74 CG . ASN 74 2.531 10.401 32.690 1.000 14.964 . 74 ASN AAA CG . 1 ATOM 1202 O OD1 . ASN AAA 1 74 OD1 . ASN 74 1.983 10.938 31.736 1.000 13.952 . 74 ASN AAA OD1 . 1 ATOM 1203 N ND2 . ASN AAA 1 74 ND2 . ASN 74 2.510 9.081 32.911 1.000 13.536 . 74 ASN AAA ND2 . 1 ATOM 1204 H HD21 . ASN AAA 1 74 HD21 . ASN 74 2.085 8.544 32.361 0.000 13.660 . 74 ASN AAA HD21 c 1 ATOM 1205 H HD22 . ASN AAA 1 74 HD22 . ASN 74 2.924 8.748 33.625 0.000 13.660 . 74 ASN AAA HD22 c 1 ATOM 1206 C C . ASN AAA 1 74 C . ASN 74 1.417 12.990 33.835 1.000 14.513 . 74 ASN AAA C . 1 ATOM 1207 O O . ASN AAA 1 74 O . ASN 74 0.673 12.053 34.106 1.000 14.748 . 74 ASN AAA O . 1 ATOM 1209 N N . LEU AAA 1 75 N . LEU 75 1.003 14.258 33.744 1.000 16.260 . 75 LEU AAA N . 1 ATOM 1210 H H . LEU AAA 1 75 H . LEU 75 1.548 14.943 33.491 1.000 15.664 . 75 LEU AAA H c 1 ATOM 1211 C CA . LEU AAA 1 75 CA . LEU 75 -0.396 14.648 34.035 1.000 15.553 . 75 LEU AAA CA . 1 ATOM 1212 H HA . LEU AAA 1 75 HA . LEU 75 -0.612 14.293 34.925 1.000 15.457 . 75 LEU AAA HA c 1 ATOM 1213 C CB . LEU AAA 1 75 CB . LEU 75 -0.482 16.167 34.094 1.000 14.580 . 75 LEU AAA CB . 1 ATOM 1214 H HB3 . LEU AAA 1 75 HB3 . LEU 75 -1.422 16.431 34.155 1.000 15.146 . 75 LEU AAA HB3 c 1 ATOM 1215 H HB2 . LEU AAA 1 75 HB2 . LEU 75 -0.115 16.540 33.268 1.000 15.147 . 75 LEU AAA HB2 c 1 ATOM 1216 C CG . LEU AAA 1 75 CG . LEU 75 0.280 16.747 35.289 1.000 16.068 . 75 LEU AAA CG . 1 ATOM 1217 H HG . LEU AAA 1 75 HG . LEU 75 1.215 16.431 35.246 1.000 15.557 . 75 LEU AAA HG c 1 ATOM 1218 C CD1 . LEU AAA 1 75 CD1 . LEU 75 0.289 18.262 35.251 1.000 15.577 . 75 LEU AAA CD1 . 1 ATOM 1219 H HD11 . LEU AAA 1 75 HD11 . LEU 75 0.763 18.565 34.457 1.000 15.737 . 75 LEU AAA HD11 c 1 ATOM 1220 H HD12 . LEU AAA 1 75 HD12 . LEU 75 0.735 18.604 36.045 1.000 15.738 . 75 LEU AAA HD12 c 1 ATOM 1221 H HD13 . LEU AAA 1 75 HD13 . LEU 75 -0.626 18.593 35.227 1.000 15.731 . 75 LEU AAA HD13 c 1 ATOM 1222 C CD2 . LEU AAA 1 75 CD2 . LEU 75 -0.322 16.278 36.620 1.000 15.430 . 75 LEU AAA CD2 . 1 ATOM 1223 H HD21 . LEU AAA 1 75 HD21 . LEU 75 -1.281 16.446 36.620 1.000 15.624 . 75 LEU AAA HD21 c 1 ATOM 1224 H HD22 . LEU AAA 1 75 HD22 . LEU 75 0.093 16.766 37.353 1.000 15.624 . 75 LEU AAA HD22 c 1 ATOM 1225 H HD23 . LEU AAA 1 75 HD23 . LEU 75 -0.159 15.326 36.736 1.000 15.623 . 75 LEU AAA HD23 c 1 ATOM 1226 C C . LEU AAA 1 75 C . LEU 75 -1.419 14.071 33.066 1.000 15.378 . 75 LEU AAA C . 1 ATOM 1227 O O . LEU AAA 1 75 O . LEU 75 -2.623 14.087 33.410 1.000 15.360 . 75 LEU AAA O . 1 ATOM 1229 N N . CYS AAA 1 76 N . CYS 76 -1.015 13.613 31.885 1.000 15.065 . 76 CYS AAA N . 1 ATOM 1230 H H . CYS AAA 1 76 H . CYS 76 -0.156 13.630 31.582 1.000 14.999 . 76 CYS AAA H c 1 ATOM 1231 C CA . CYS AAA 1 76 CA . CYS 76 -1.975 13.046 30.909 1.000 14.489 . 76 CYS AAA CA . 1 ATOM 1232 H HA . CYS AAA 1 76 HA . CYS 76 -2.872 13.388 31.130 1.000 14.728 . 76 CYS AAA HA c 1 ATOM 1233 C CB . CYS AAA 1 76 CB . CYS 76 -1.652 13.460 29.479 1.000 15.212 . 76 CYS AAA CB . 1 ATOM 1234 H HB3 . CYS AAA 1 76 HB3 . CYS 76 -2.166 12.902 28.860 1.000 14.595 . 76 CYS AAA HB3 c 1 ATOM 1235 H HB2 . CYS AAA 1 76 HB2 . CYS 76 -0.704 13.308 29.303 1.000 14.593 . 76 CYS AAA HB2 c 1 ATOM 1236 S SG . CYS AAA 1 76 SG . CYS 76 -2.037 15.194 29.140 1.000 13.400 . 76 CYS AAA SG . 1 ATOM 1237 C C . CYS AAA 1 76 C . CYS 76 -1.976 11.532 31.113 1.000 14.462 . 76 CYS AAA C . 1 ATOM 1238 O O . CYS AAA 1 76 O . CYS 76 -2.707 10.846 30.444 1.000 14.345 . 76 CYS AAA O . 1 ATOM 1240 N N . ASN AAA 1 77 N . ASN 77 -1.160 11.060 32.060 1.000 14.161 . 77 ASN AAA N . 1 ATOM 1241 H H . ASN AAA 1 77 H . ASN 77 -0.618 11.589 32.559 1.000 14.267 . 77 ASN AAA H c 1 ATOM 1242 C CA . ASN AAA 1 77 CA . ASN 77 -1.043 9.625 32.389 1.000 14.277 . 77 ASN AAA CA . 1 ATOM 1243 H HA . ASN AAA 1 77 HA . ASN 77 -0.245 9.502 32.956 1.000 14.184 . 77 ASN AAA HA c 1 ATOM 1244 C CB A ASN AAA 1 77 CB . ASN 77 -2.267 9.152 33.194 0.500 13.790 . 77 ASN AAA CB . 1 ATOM 1245 H HB3 . ASN AAA 1 77 HB3 . ASN 77 -2.159 8.202 33.405 0.500 13.829 . 77 ASN AAA HB3 c 1 ATOM 1246 H HB2 . ASN AAA 1 77 HB2 . ASN 77 -3.067 9.249 32.638 0.500 13.828 . 77 ASN AAA HB2 c 1 ATOM 1247 C CG A ASN AAA 1 77 CG . ASN 77 -2.470 9.917 34.481 0.500 13.481 . 77 ASN AAA CG . 1 ATOM 1248 O OD1 A ASN AAA 1 77 OD1 . ASN 77 -1.630 9.853 35.394 0.500 14.044 . 77 ASN AAA OD1 . 1 ATOM 1249 N ND2 A ASN AAA 1 77 ND2 . ASN 77 -3.592 10.618 34.567 0.500 14.106 . 77 ASN AAA ND2 . 1 ATOM 1250 H HD21 . ASN AAA 1 77 HD21 . ASN 77 -3.755 11.099 35.307 0.000 14.130 . 77 ASN AAA HD21 c 1 ATOM 1251 H HD22 . ASN AAA 1 77 HD22 . ASN 77 -4.164 10.629 33.908 0.000 14.130 . 77 ASN AAA HD22 c 1 ATOM 1252 C C . ASN AAA 1 77 C . ASN 77 -0.894 8.760 31.147 1.000 14.395 . 77 ASN AAA C . 1 ATOM 1253 O O . ASN AAA 1 77 O . ASN 77 -1.632 7.778 30.989 1.000 13.388 . 77 ASN AAA O . 1 ATOM 1255 N N . ILE AAA 1 78 N . ILE 78 0.069 9.077 30.293 1.000 14.222 . 78 ILE AAA N . 1 ATOM 1256 H H . ILE AAA 1 78 H . ILE 78 0.638 9.778 30.414 1.000 14.438 . 78 ILE AAA H c 1 ATOM 1257 C CA . ILE AAA 1 78 CA . ILE 78 0.303 8.297 29.051 1.000 14.968 . 78 ILE AAA CA . 1 ATOM 1258 H HA . ILE AAA 1 78 HA . ILE 78 -0.012 7.385 29.180 1.000 14.753 . 78 ILE AAA HA c 1 ATOM 1259 C CB . ILE AAA 1 78 CB . ILE 78 -0.441 8.923 27.861 1.000 14.763 . 78 ILE AAA CB . 1 ATOM 1260 H HB . ILE AAA 1 78 HB . ILE 78 -0.107 8.479 27.042 1.000 14.984 . 78 ILE AAA HB c 1 ATOM 1261 C CG1 . ILE AAA 1 78 CG1 . ILE 78 -0.088 10.401 27.744 1.000 15.735 . 78 ILE AAA CG1 . 1 ATOM 1262 H HG12 . ILE AAA 1 78 HG12 . ILE 78 0.880 10.506 27.849 1.000 15.630 . 78 ILE AAA HG12 c 1 ATOM 1263 H HG13 . ILE AAA 1 78 HG13 . ILE 78 -0.523 10.885 28.478 1.000 15.634 . 78 ILE AAA HG13 c 1 ATOM 1264 C CG2 . ILE AAA 1 78 CG2 . ILE 78 -1.943 8.669 27.930 1.000 14.771 . 78 ILE AAA CG2 . 1 ATOM 1265 H HG21 . ILE AAA 1 78 HG21 . ILE 78 -2.109 7.711 27.983 1.000 14.769 . 78 ILE AAA HG21 c 1 ATOM 1266 H HG22 . ILE AAA 1 78 HG22 . ILE 78 -2.373 9.025 27.133 1.000 14.773 . 78 ILE AAA HG22 c 1 ATOM 1267 C CD1 . ILE AAA 1 78 CD1 . ILE 78 -0.498 11.043 26.437 1.000 16.337 . 78 ILE AAA CD1 . 1 ATOM 1268 H HD11 . ILE AAA 1 78 HD11 . ILE 78 -0.063 10.584 25.698 1.000 16.141 . 78 ILE AAA HD11 c 1 ATOM 1269 H HD12 . ILE AAA 1 78 HD12 . ILE 78 -0.230 11.979 26.438 1.000 16.143 . 78 ILE AAA HD12 c 1 ATOM 1270 H HD13 . ILE AAA 1 78 HD13 . ILE 78 -1.462 10.984 26.332 1.000 16.138 . 78 ILE AAA HD13 c 1 ATOM 1271 H HG23 . ILE AAA 1 78 HG23 . ILE 78 -2.313 9.103 28.716 1.000 14.765 . 78 ILE AAA HG23 c 1 ATOM 1272 C C . ILE AAA 1 78 C . ILE 78 1.781 8.277 28.729 1.000 14.858 . 78 ILE AAA C . 1 ATOM 1273 O O . ILE AAA 1 78 O . ILE 78 2.548 9.182 29.084 1.000 13.723 . 78 ILE AAA O . 1 ATOM 1274 N N . PRO AAA 1 79 N . PRO 79 2.259 7.224 28.042 1.000 14.534 . 79 PRO AAA N . 1 ATOM 1275 C CA . PRO AAA 1 79 CA . PRO 79 3.649 7.219 27.600 1.000 13.777 . 79 PRO AAA CA . 1 ATOM 1276 H HA . PRO AAA 1 79 HA . PRO 79 4.259 7.482 28.332 1.000 13.964 . 79 PRO AAA HA c 1 ATOM 1277 C CB . PRO AAA 1 79 CB . PRO 79 3.899 5.783 27.157 1.000 13.871 . 79 PRO AAA CB . 1 ATOM 1278 H HB3 . PRO AAA 1 79 HB3 . PRO 79 4.198 5.224 27.903 1.000 13.854 . 79 PRO AAA HB3 c 1 ATOM 1279 H HB2 . PRO AAA 1 79 HB2 . PRO 79 4.561 5.741 26.434 1.000 13.851 . 79 PRO AAA HB2 c 1 ATOM 1280 C CG . PRO AAA 1 79 CG . PRO 79 2.534 5.364 26.673 1.000 13.875 . 79 PRO AAA CG . 1 ATOM 1281 H HG3 . PRO AAA 1 79 HG3 . PRO 79 2.452 4.389 26.651 1.000 13.689 . 79 PRO AAA HG3 c 1 ATOM 1282 H HG2 . PRO AAA 1 79 HG2 . PRO 79 2.350 5.722 25.781 1.000 13.690 . 79 PRO AAA HG2 c 1 ATOM 1283 C CD . PRO AAA 1 79 CD . PRO 79 1.598 5.965 27.708 1.000 13.105 . 79 PRO AAA CD . 1 ATOM 1284 H HD3 . PRO AAA 1 79 HD3 . PRO 79 1.519 5.390 28.491 1.000 13.610 . 79 PRO AAA HD3 c 1 ATOM 1285 H HD2 . PRO AAA 1 79 HD2 . PRO 79 0.711 6.120 27.333 1.000 13.614 . 79 PRO AAA HD2 c 1 ATOM 1286 C C . PRO AAA 1 79 C . PRO 79 3.673 8.215 26.438 1.000 13.945 . 79 PRO AAA C . 1 ATOM 1287 O O . PRO AAA 1 79 O . PRO 79 2.725 8.332 25.660 1.000 13.348 . 79 PRO AAA O . 1 ATOM 1289 N N . CYS AAA 1 80 N . CYS 80 4.753 8.977 26.347 1.000 12.877 . 80 CYS AAA N . 1 ATOM 1290 H H . CYS AAA 1 80 H . CYS 80 5.481 8.928 26.893 1.000 13.046 . 80 CYS AAA H c 1 ATOM 1291 C CA . CYS AAA 1 80 CA . CYS 80 4.859 10.008 25.303 1.000 12.573 . 80 CYS AAA CA . 1 ATOM 1292 H HA . CYS AAA 1 80 HA . CYS 80 4.108 10.632 25.425 1.000 12.602 . 80 CYS AAA HA c 1 ATOM 1293 C CB . CYS AAA 1 80 CB . CYS 80 6.150 10.795 25.424 1.000 11.776 . 80 CYS AAA CB . 1 ATOM 1294 H HB3 . CYS AAA 1 80 HB3 . CYS 80 6.204 11.419 24.674 1.000 11.832 . 80 CYS AAA HB3 c 1 ATOM 1295 H HB2 . CYS AAA 1 80 HB2 . CYS 80 6.903 10.175 25.345 1.000 11.837 . 80 CYS AAA HB2 c 1 ATOM 1296 S SG . CYS AAA 1 80 SG . CYS 80 6.356 11.739 26.958 1.000 11.280 . 80 CYS AAA SG . 1 ATOM 1297 C C . CYS AAA 1 80 C . CYS 80 4.724 9.368 23.919 1.000 13.262 . 80 CYS AAA C . 1 ATOM 1298 O O . CYS AAA 1 80 O . CYS 80 4.240 10.024 22.972 1.000 12.972 . 80 CYS AAA O . 1 ATOM 1300 N N . SER AAA 1 81 N . SER 81 5.146 8.134 23.766 1.000 12.917 . 81 SER AAA N . 1 ATOM 1301 H H . SER AAA 1 81 H . SER 81 5.546 7.635 24.414 1.000 13.052 . 81 SER AAA H c 1 ATOM 1302 C CA . SER AAA 1 81 CA . SER 81 5.033 7.427 22.466 1.000 13.139 . 81 SER AAA CA . 1 ATOM 1303 H HA . SER AAA 1 81 HA . SER 81 5.553 7.941 21.790 1.000 13.205 . 81 SER AAA HA c 1 ATOM 1304 C CB . SER AAA 1 81 CB . SER 81 5.627 6.048 22.579 1.000 13.731 . 81 SER AAA CB . 1 ATOM 1305 H HB3 . SER AAA 1 81 HB3 . SER 81 6.585 6.126 22.790 1.000 13.649 . 81 SER AAA HB3 c 1 ATOM 1306 H HB2 . SER AAA 1 81 HB2 . SER 81 5.546 5.591 21.712 1.000 13.649 . 81 SER AAA HB2 c 1 ATOM 1307 O OG . SER AAA 1 81 OG . SER 81 4.990 5.267 23.580 1.000 13.991 . 81 SER AAA OG . 1 ATOM 1308 H HG . SER AAA 1 81 HG . SER 81 5.362 4.508 23.596 0.000 14.010 . 81 SER AAA HG c 1 ATOM 1309 C C . SER AAA 1 81 C . SER 81 3.565 7.368 22.001 1.000 13.130 . 81 SER AAA C . 1 ATOM 1310 O O . SER AAA 1 81 O . SER 81 3.335 7.265 20.809 1.000 13.244 . 81 SER AAA O . 1 ATOM 1312 N N . ALA AAA 1 82 N . ALA 82 2.599 7.332 22.899 1.000 13.719 . 82 ALA AAA N . 1 ATOM 1313 H H . ALA AAA 1 82 H . ALA 82 2.743 7.327 23.798 1.000 13.610 . 82 ALA AAA H c 1 ATOM 1314 C CA . ALA AAA 1 82 CA . ALA 82 1.162 7.273 22.552 1.000 13.857 . 82 ALA AAA CA . 1 ATOM 1315 H HA . ALA AAA 1 82 HA . ALA 82 1.006 6.500 21.961 1.000 13.826 . 82 ALA AAA HA c 1 ATOM 1316 C CB . ALA AAA 1 82 CB . ALA 82 0.330 7.119 23.810 1.000 14.478 . 82 ALA AAA CB . 1 ATOM 1317 H HB3 . ALA AAA 1 82 HB3 . ALA 82 0.462 7.892 24.384 1.000 14.287 . 82 ALA AAA HB3 c 1 ATOM 1318 H HB2 . ALA AAA 1 82 HB2 . ALA 82 0.602 6.315 24.284 1.000 14.287 . 82 ALA AAA HB2 c 1 ATOM 1319 H HB1 . ALA AAA 1 82 HB1 . ALA 82 -0.610 7.051 23.572 1.000 14.304 . 82 ALA AAA HB1 c 1 ATOM 1320 C C . ALA AAA 1 82 C . ALA 82 0.786 8.561 21.804 1.000 13.242 . 82 ALA AAA C . 1 ATOM 1321 O O . ALA AAA 1 82 O . ALA 82 -0.249 8.601 21.147 1.000 14.197 . 82 ALA AAA O . 1 ATOM 1323 N N . LEU AAA 1 83 N . LEU 83 1.591 9.593 21.942 1.000 13.293 . 83 LEU AAA N . 1 ATOM 1324 H H . LEU AAA 1 83 H . LEU 83 2.325 9.579 22.476 1.000 13.231 . 83 LEU AAA H c 1 ATOM 1325 C CA . LEU AAA 1 83 CA . LEU 83 1.366 10.894 21.291 1.000 13.074 . 83 LEU AAA CA . 1 ATOM 1326 H HA . LEU AAA 1 83 HA . LEU 83 0.395 11.046 21.235 1.000 13.319 . 83 LEU AAA HA c 1 ATOM 1327 C CB . LEU AAA 1 83 CB . LEU 83 2.001 12.004 22.132 1.000 13.101 . 83 LEU AAA CB . 1 ATOM 1328 H HB3 . LEU AAA 1 83 HB3 . LEU 83 1.901 12.849 21.651 1.000 13.249 . 83 LEU AAA HB3 c 1 ATOM 1329 H HB2 . LEU AAA 1 83 HB2 . LEU 83 2.958 11.825 22.214 1.000 13.250 . 83 LEU AAA HB2 c 1 ATOM 1330 C CG . LEU AAA 1 83 CG . LEU 83 1.414 12.174 23.532 1.000 13.762 . 83 LEU AAA CG . 1 ATOM 1331 H HG . LEU AAA 1 83 HG . LEU 83 1.463 11.303 23.997 1.000 14.239 . 83 LEU AAA HG c 1 ATOM 1332 C CD1 . LEU AAA 1 83 CD1 . LEU 83 2.243 13.178 24.314 1.000 15.227 . 83 LEU AAA CD1 . 1 ATOM 1333 H HD11 . LEU AAA 1 83 HD11 . LEU 83 3.156 12.854 24.390 1.000 14.754 . 83 LEU AAA HD11 c 1 ATOM 1334 H HD12 . LEU AAA 1 83 HD12 . LEU 83 1.863 13.292 25.202 1.000 14.757 . 83 LEU AAA HD12 c 1 ATOM 1335 H HD13 . LEU AAA 1 83 HD13 . LEU 83 2.240 14.031 23.848 1.000 14.751 . 83 LEU AAA HD13 c 1 ATOM 1336 C CD2 . LEU AAA 1 83 CD2 . LEU 83 -0.066 12.590 23.443 1.000 15.612 . 83 LEU AAA CD2 . 1 ATOM 1337 H HD21 . LEU AAA 1 83 HD21 . LEU 83 -0.151 13.350 22.841 1.000 15.009 . 83 LEU AAA HD21 c 1 ATOM 1338 H HD22 . LEU AAA 1 83 HD22 . LEU 83 -0.388 12.840 24.326 1.000 15.019 . 83 LEU AAA HD22 c 1 ATOM 1339 H HD23 . LEU AAA 1 83 HD23 . LEU 83 -0.596 11.847 23.104 1.000 15.008 . 83 LEU AAA HD23 c 1 ATOM 1340 C C . LEU AAA 1 83 C . LEU 83 1.927 10.867 19.880 1.000 14.094 . 83 LEU AAA C . 1 ATOM 1341 O O . LEU AAA 1 83 O . LEU 83 1.789 11.893 19.181 1.000 13.916 . 83 LEU AAA O . 1 ATOM 1343 N N . LEU AAA 1 84 N . LEU 84 2.540 9.774 19.452 1.000 14.079 . 84 LEU AAA N . 1 ATOM 1344 H H . LEU AAA 1 84 H . LEU 84 2.641 9.026 19.956 1.000 13.909 . 84 LEU AAA H c 1 ATOM 1345 C CA . LEU AAA 1 84 CA . LEU 84 3.150 9.679 18.108 1.000 13.381 . 84 LEU AAA CA . 1 ATOM 1346 H HA . LEU AAA 1 84 HA . LEU 84 3.176 10.577 17.718 1.000 13.619 . 84 LEU AAA HA c 1 ATOM 1347 C CB . LEU AAA 1 84 CB . LEU 84 4.578 9.159 18.274 1.000 13.693 . 84 LEU AAA CB . 1 ATOM 1348 H HB3 . LEU AAA 1 84 HB3 . LEU 84 4.977 9.094 17.383 1.000 13.498 . 84 LEU AAA HB3 c 1 ATOM 1349 H HB2 . LEU AAA 1 84 HB2 . LEU 84 4.526 8.251 18.632 1.000 13.498 . 84 LEU AAA HB2 c 1 ATOM 1350 C CG . LEU AAA 1 84 CG . LEU 84 5.529 9.957 19.155 1.000 13.186 . 84 LEU AAA CG . 1 ATOM 1351 H HG . LEU AAA 1 84 HG . LEU 84 5.156 10.005 20.069 1.000 13.405 . 84 LEU AAA HG c 1 ATOM 1352 C CD1 . LEU AAA 1 84 CD1 . LEU 84 6.881 9.230 19.208 1.000 14.017 . 84 LEU AAA CD1 . 1 ATOM 1353 H HD11 . LEU AAA 1 84 HD11 . LEU 84 6.757 8.340 19.579 1.000 13.528 . 84 LEU AAA HD11 c 1 ATOM 1354 H HD12 . LEU AAA 1 84 HD12 . LEU 84 7.498 9.732 19.769 1.000 13.702 . 84 LEU AAA HD12 c 1 ATOM 1355 H HD13 . LEU AAA 1 84 HD13 . LEU 84 7.247 9.158 18.309 1.000 13.702 . 84 LEU AAA HD13 c 1 ATOM 1356 C CD2 . LEU AAA 1 84 CD2 . LEU 84 5.706 11.378 18.615 1.000 13.019 . 84 LEU AAA CD2 . 1 ATOM 1357 H HD21 . LEU AAA 1 84 HD21 . LEU 84 6.011 11.340 17.692 1.000 13.067 . 84 LEU AAA HD21 c 1 ATOM 1358 H HD22 . LEU AAA 1 84 HD22 . LEU 84 6.365 11.850 19.154 1.000 13.060 . 84 LEU AAA HD22 c 1 ATOM 1359 H HD23 . LEU AAA 1 84 HD23 . LEU 84 4.857 11.851 18.657 1.000 13.066 . 84 LEU AAA HD23 c 1 ATOM 1360 C C . LEU AAA 1 84 C . LEU 84 2.320 8.784 17.201 1.000 13.656 . 84 LEU AAA C . 1 ATOM 1361 O O . LEU AAA 1 84 O . LEU 84 2.663 8.652 16.016 1.000 13.909 . 84 LEU AAA O . 1 ATOM 1363 N N . SER AAA 1 85 N . SER 85 1.253 8.194 17.728 1.000 13.655 . 85 SER AAA N . 1 ATOM 1364 H H . SER AAA 1 85 H . SER 85 0.989 8.312 18.590 1.000 13.690 . 85 SER AAA H c 1 ATOM 1365 C CA . SER AAA 1 85 CA . SER 85 0.357 7.273 16.988 1.000 13.808 . 85 SER AAA CA . 1 ATOM 1366 H HA . SER AAA 1 85 HA . SER 85 0.898 6.492 16.694 1.000 13.747 . 85 SER AAA HA c 1 ATOM 1367 C CB A SER AAA 1 85 CB . SER 85 -0.731 6.777 17.904 0.500 13.035 . 85 SER AAA CB . 1 ATOM 1368 H HB3 . SER AAA 1 85 HB3 . SER 85 -1.201 7.546 18.300 0.500 13.372 . 85 SER AAA HB3 c 1 ATOM 1369 H HB2 . SER AAA 1 85 HB2 . SER 85 -0.330 6.255 18.635 0.500 13.372 . 85 SER AAA HB2 c 1 ATOM 1370 O OG A SER AAA 1 85 OG . SER 85 -1.663 5.965 17.195 0.500 13.715 . 85 SER AAA OG . 1 ATOM 1371 H HG . SER AAA 1 85 HG . SER 85 -2.252 5.693 17.740 0.000 13.720 . 85 SER AAA HG c 1 ATOM 1372 C C . SER AAA 1 85 C . SER 85 -0.269 7.911 15.743 1.000 14.453 . 85 SER AAA C . 1 ATOM 1373 O O . SER AAA 1 85 O . SER 85 -0.282 9.153 15.591 1.000 13.635 . 85 SER AAA O . 1 ATOM 1375 N N . SER AAA 1 86 N . SER 86 -0.784 7.080 14.869 1.000 13.843 . 86 SER AAA N . 1 ATOM 1376 H H . SER AAA 1 86 H . SER 86 -0.737 6.172 14.933 1.000 13.885 . 86 SER AAA H c 1 ATOM 1377 C CA . SER AAA 1 86 CA . SER 86 -1.511 7.544 13.659 1.000 13.436 . 86 SER AAA CA . 1 ATOM 1378 H HA . SER AAA 1 86 HA . SER 86 -1.029 8.327 13.278 1.000 13.634 . 86 SER AAA HA c 1 ATOM 1379 C CB A SER AAA 1 86 CB . SER 86 -1.576 6.439 12.606 0.500 13.636 . 86 SER AAA CB . 1 ATOM 1380 H HB3 . SER AAA 1 86 HB3 . SER 86 -0.662 6.180 12.351 0.500 13.257 . 86 SER AAA HB3 c 1 ATOM 1381 H HB2 . SER AAA 1 86 HB2 . SER 86 -2.029 6.783 11.803 0.500 13.273 . 86 SER AAA HB2 c 1 ATOM 1382 O OG A SER AAA 1 86 OG . SER 86 -2.267 5.305 13.081 0.500 12.264 . 86 SER AAA OG . 1 ATOM 1383 H HG . SER AAA 1 86 HG . SER 86 -2.282 4.713 12.477 0.000 12.410 . 86 SER AAA HG c 1 ATOM 1384 C C . SER AAA 1 86 C . SER 86 -2.893 7.995 14.117 1.000 13.866 . 86 SER AAA C . 1 ATOM 1385 O O . SER AAA 1 86 O . SER 86 -3.541 8.796 13.439 1.000 14.404 . 86 SER AAA O . 1 ATOM 1387 N N . ASP AAA 1 87 N . ASP 87 -3.325 7.471 15.256 1.000 13.596 . 87 ASP AAA N . 1 ATOM 1388 H H . ASP AAA 1 87 H . ASP 87 -2.845 6.855 15.724 1.000 13.874 . 87 ASP AAA H c 1 ATOM 1389 C CA . ASP AAA 1 87 CA . ASP 87 -4.624 7.783 15.882 1.000 14.525 . 87 ASP AAA CA . 1 ATOM 1390 H HA . ASP AAA 1 87 HA . ASP 87 -5.279 8.025 15.187 1.000 14.147 . 87 ASP AAA HA c 1 ATOM 1391 C CB . ASP AAA 1 87 CB . ASP 87 -5.128 6.585 16.682 1.000 14.048 . 87 ASP AAA CB . 1 ATOM 1392 H HB3 . ASP AAA 1 87 HB3 . ASP 87 -4.501 6.394 17.409 1.000 14.486 . 87 ASP AAA HB3 c 1 ATOM 1393 H HB2 . ASP AAA 1 87 HB2 . ASP 87 -5.160 5.803 16.094 1.000 14.516 . 87 ASP AAA HB2 c 1 ATOM 1394 C CG . ASP AAA 1 87 CG . ASP 87 -6.513 6.784 17.281 1.000 15.453 . 87 ASP AAA CG . 1 ATOM 1395 O OD1 . ASP AAA 1 87 OD1 . ASP 87 -6.825 7.883 17.735 1.000 17.051 . 87 ASP AAA OD1 . 1 ATOM 1396 O OD2 . ASP AAA 1 87 OD2 . ASP 87 -7.286 5.839 17.255 1.000 18.158 . 87 ASP AAA OD2 . 1 ATOM 1397 C C . ASP AAA 1 87 C . ASP 87 -4.388 8.974 16.817 1.000 13.978 . 87 ASP AAA C . 1 ATOM 1398 O O . ASP AAA 1 87 O . ASP 87 -3.644 8.798 17.792 1.000 14.618 . 87 ASP AAA O . 1 ATOM 1400 N N . ILE AAA 1 88 N . ILE 88 -4.957 10.138 16.549 1.000 13.814 . 88 ILE AAA N . 1 ATOM 1401 H H . ILE AAA 1 88 H . ILE 88 -5.537 10.271 15.860 1.000 13.636 . 88 ILE AAA H c 1 ATOM 1402 C CA . ILE AAA 1 88 CA . ILE 88 -4.688 11.342 17.395 1.000 12.927 . 88 ILE AAA CA . 1 ATOM 1403 H HA . ILE AAA 1 88 HA . ILE 88 -3.752 11.305 17.654 1.000 13.154 . 88 ILE AAA HA c 1 ATOM 1404 C CB . ILE AAA 1 88 CB . ILE 88 -4.877 12.637 16.596 1.000 13.281 . 88 ILE AAA CB . 1 ATOM 1405 H HB . ILE AAA 1 88 HB . ILE 88 -4.561 13.387 17.158 1.000 13.260 . 88 ILE AAA HB c 1 ATOM 1406 C CG1 . ILE AAA 1 88 CG1 . ILE 88 -6.352 12.875 16.295 1.000 13.277 . 88 ILE AAA CG1 . 1 ATOM 1407 H HG12 . ILE AAA 1 88 HG12 . ILE 88 -6.876 12.701 17.104 1.000 13.326 . 88 ILE AAA HG12 c 1 ATOM 1408 H HG13 . ILE AAA 1 88 HG13 . ILE 88 -6.640 12.239 15.607 1.000 13.344 . 88 ILE AAA HG13 c 1 ATOM 1409 C CG2 . ILE AAA 1 88 CG2 . ILE 88 -4.054 12.631 15.332 1.000 13.544 . 88 ILE AAA CG2 . 1 ATOM 1410 H HG21 . ILE AAA 1 88 HG21 . ILE 88 -3.128 12.425 15.548 1.000 13.463 . 88 ILE AAA HG21 c 1 ATOM 1411 H HG22 . ILE AAA 1 88 HG22 . ILE 88 -4.099 13.506 14.908 1.000 13.463 . 88 ILE AAA HG22 c 1 ATOM 1412 C CD1 . ILE AAA 1 88 CD1 . ILE 88 -6.653 14.271 15.817 1.000 13.474 . 88 ILE AAA CD1 . 1 ATOM 1413 H HD11 . ILE AAA 1 88 HD11 . ILE 88 -6.334 14.915 16.473 1.000 13.414 . 88 ILE AAA HD11 c 1 ATOM 1414 H HD12 . ILE AAA 1 88 HD12 . ILE 88 -7.614 14.375 15.703 1.000 13.414 . 88 ILE AAA HD12 c 1 ATOM 1415 H HD13 . ILE AAA 1 88 HD13 . ILE 88 -6.208 14.429 14.967 1.000 13.414 . 88 ILE AAA HD13 c 1 ATOM 1416 H HG23 . ILE AAA 1 88 HG23 . ILE 88 -4.399 11.959 14.719 1.000 13.464 . 88 ILE AAA HG23 c 1 ATOM 1417 C C . ILE AAA 1 88 C . ILE 88 -5.510 11.411 18.690 1.000 12.901 . 88 ILE AAA C . 1 ATOM 1418 O O . ILE AAA 1 88 O . ILE 88 -5.402 12.412 19.412 1.000 12.750 . 88 ILE AAA O . 1 ATOM 1420 N N . THR AAA 1 89 N . THR 89 -6.269 10.382 19.047 1.000 12.842 . 89 THR AAA N . 1 ATOM 1421 H H . THR AAA 1 89 H . THR 89 -6.329 9.594 18.596 1.000 12.844 . 89 THR AAA H c 1 ATOM 1422 C CA . THR AAA 1 89 CA . THR 89 -7.127 10.440 20.262 1.000 12.772 . 89 THR AAA CA . 1 ATOM 1423 H HA . THR AAA 1 89 HA . THR 89 -7.835 11.103 20.092 1.000 12.773 . 89 THR AAA HA c 1 ATOM 1424 C CB . THR AAA 1 89 CB . THR 89 -7.798 9.095 20.548 1.000 13.070 . 89 THR AAA CB . 1 ATOM 1425 H HB . THR AAA 1 89 HB . THR 89 -7.089 8.414 20.631 1.000 13.077 . 89 THR AAA HB c 1 ATOM 1426 O OG1 . THR AAA 1 89 OG1 . THR 89 -8.688 8.700 19.495 1.000 13.453 . 89 THR AAA OG1 . 1 ATOM 1427 H HG1 . THR AAA 1 89 HG1 . THR 89 -9.048 7.949 19.688 0.000 13.590 . 89 THR AAA HG1 c 1 ATOM 1428 C CG2 . THR AAA 1 89 CG2 . THR 89 -8.550 9.164 21.857 1.000 13.031 . 89 THR AAA CG2 . 1 ATOM 1429 H HG21 . THR AAA 1 89 HG21 . THR 89 -7.920 9.231 22.596 1.000 13.041 . 89 THR AAA HG21 c 1 ATOM 1430 H HG22 . THR AAA 1 89 HG22 . THR 89 -9.087 8.357 21.964 1.000 13.042 . 89 THR AAA HG22 c 1 ATOM 1431 H HG23 . THR AAA 1 89 HG23 . THR 89 -9.135 9.944 21.856 1.000 13.042 . 89 THR AAA HG23 c 1 ATOM 1432 C C . THR AAA 1 89 C . THR 89 -6.318 10.910 21.493 1.000 12.418 . 89 THR AAA C . 1 ATOM 1433 O O . THR AAA 1 89 O . THR 89 -6.741 11.844 22.191 1.000 12.849 . 89 THR AAA O . 1 ATOM 1435 N N . ALA AAA 1 90 N . ALA 90 -5.168 10.298 21.743 1.000 12.535 . 90 ALA AAA N . 1 ATOM 1436 H H . ALA AAA 1 90 H . ALA 90 -4.807 9.657 21.205 1.000 12.414 . 90 ALA AAA H c 1 ATOM 1437 C CA . ALA AAA 1 90 CA . ALA 90 -4.333 10.586 22.934 1.000 12.144 . 90 ALA AAA CA . 1 ATOM 1438 H HA . ALA AAA 1 90 HA . ALA 90 -4.882 10.456 23.743 1.000 12.267 . 90 ALA AAA HA c 1 ATOM 1439 C CB . ALA AAA 1 90 CB . ALA 90 -3.137 9.638 22.984 1.000 12.182 . 90 ALA AAA CB . 1 ATOM 1440 H HB3 . ALA AAA 1 90 HB3 . ALA 90 -2.589 9.762 22.192 1.000 12.170 . 90 ALA AAA HB3 c 1 ATOM 1441 H HB2 . ALA AAA 1 90 HB2 . ALA 90 -3.452 8.719 23.018 1.000 12.170 . 90 ALA AAA HB2 c 1 ATOM 1442 H HB1 . ALA AAA 1 90 HB1 . ALA 90 -2.606 9.827 23.776 1.000 12.170 . 90 ALA AAA HB1 c 1 ATOM 1443 C C . ALA AAA 1 90 C . ALA 90 -3.880 12.043 22.879 1.000 12.361 . 90 ALA AAA C . 1 ATOM 1444 O O . ALA AAA 1 90 O . ALA 90 -3.886 12.707 23.896 1.000 12.885 . 90 ALA AAA O . 1 ATOM 1446 N N . SER AAA 1 91 N . SER 91 -3.389 12.490 21.723 1.000 12.542 . 91 SER AAA N . 1 ATOM 1447 H H . SER AAA 1 91 H . SER 91 -3.323 11.998 20.959 1.000 12.535 . 91 SER AAA H c 1 ATOM 1448 C CA . SER AAA 1 91 CA . SER 91 -2.879 13.870 21.583 1.000 12.686 . 91 SER AAA CA . 1 ATOM 1449 H HA . SER AAA 1 91 HA . SER 91 -2.182 14.010 22.277 1.000 12.591 . 91 SER AAA HA c 1 ATOM 1450 C CB . SER AAA 1 91 CB . SER 91 -2.243 14.084 20.218 1.000 12.879 . 91 SER AAA CB . 1 ATOM 1451 H HB3 . SER AAA 1 91 HB3 . SER 91 -2.201 15.050 20.036 1.000 12.964 . 91 SER AAA HB3 c 1 ATOM 1452 H HB2 . SER AAA 1 91 HB2 . SER 91 -2.819 13.677 19.531 1.000 12.964 . 91 SER AAA HB2 c 1 ATOM 1453 O OG . SER AAA 1 91 OG . SER 91 -0.949 13.544 20.108 1.000 13.454 . 91 SER AAA OG . 1 ATOM 1454 H HG . SER AAA 1 91 HG . SER 91 -0.656 13.697 19.330 0.000 13.700 . 91 SER AAA HG c 1 ATOM 1455 C C . SER AAA 1 91 C . SER 91 -4.005 14.863 21.841 1.000 12.101 . 91 SER AAA C . 1 ATOM 1456 O O . SER AAA 1 91 O . SER 91 -3.811 15.847 22.542 1.000 12.554 . 91 SER AAA O . 1 ATOM 1458 N N . VAL AAA 1 92 N . VAL 92 -5.204 14.564 21.319 1.000 12.616 . 92 VAL AAA N . 1 ATOM 1459 H H . VAL AAA 1 92 H . VAL 92 -5.375 13.830 20.807 1.000 12.409 . 92 VAL AAA H c 1 ATOM 1460 C CA . VAL AAA 1 92 CA . VAL 92 -6.358 15.460 21.551 1.000 12.263 . 92 VAL AAA CA . 1 ATOM 1461 H HA . VAL AAA 1 92 HA . VAL 92 -6.087 16.361 21.298 1.000 12.198 . 92 VAL AAA HA c 1 ATOM 1462 C CB . VAL AAA 1 92 CB . VAL 92 -7.557 15.063 20.670 1.000 12.023 . 92 VAL AAA CB . 1 ATOM 1463 H HB . VAL AAA 1 92 HB . VAL 92 -7.698 14.090 20.774 1.000 12.356 . 92 VAL AAA HB c 1 ATOM 1464 C CG1 . VAL AAA 1 92 CG1 . VAL 92 -8.830 15.784 21.150 1.000 12.999 . 92 VAL AAA CG1 . 1 ATOM 1465 H HG11 . VAL AAA 1 92 HG11 . VAL 92 -9.179 15.338 21.943 1.000 12.692 . 92 VAL AAA HG11 c 1 ATOM 1466 H HG12 . VAL AAA 1 92 HG12 . VAL 92 -9.502 15.761 20.445 1.000 12.702 . 92 VAL AAA HG12 c 1 ATOM 1467 H HG13 . VAL AAA 1 92 HG13 . VAL 92 -8.618 16.710 21.365 1.000 12.697 . 92 VAL AAA HG13 c 1 ATOM 1468 C CG2 . VAL AAA 1 92 CG2 . VAL 92 -7.278 15.340 19.224 1.000 12.585 . 92 VAL AAA CG2 . 1 ATOM 1469 H HG21 . VAL AAA 1 92 HG21 . VAL 92 -7.105 16.290 19.102 1.000 12.410 . 92 VAL AAA HG21 c 1 ATOM 1470 H HG22 . VAL AAA 1 92 HG22 . VAL 92 -8.048 15.081 18.688 1.000 12.410 . 92 VAL AAA HG22 c 1 ATOM 1471 H HG23 . VAL AAA 1 92 HG23 . VAL 92 -6.500 14.830 18.939 1.000 12.411 . 92 VAL AAA HG23 c 1 ATOM 1472 C C . VAL AAA 1 92 C . VAL 92 -6.765 15.492 23.008 1.000 11.815 . 92 VAL AAA C . 1 ATOM 1473 O O . VAL AAA 1 92 O . VAL 92 -7.001 16.591 23.535 1.000 13.027 . 92 VAL AAA O . 1 ATOM 1475 N N . ASN AAA 1 93 N . ASN 93 -6.921 14.331 23.655 1.000 12.526 . 93 ASN AAA N . 1 ATOM 1476 H H . ASN AAA 1 93 H . ASN 93 -6.758 13.518 23.280 1.000 12.390 . 93 ASN AAA H c 1 ATOM 1477 C CA . ASN AAA 1 93 CA . ASN 93 -7.377 14.296 25.056 1.000 12.632 . 93 ASN AAA CA . 1 ATOM 1478 H HA . ASN AAA 1 93 HA . ASN 93 -8.229 14.787 25.119 1.000 12.845 . 93 ASN AAA HA c 1 ATOM 1479 C CB . ASN AAA 1 93 CB . ASN 93 -7.621 12.862 25.539 1.000 14.500 . 93 ASN AAA CB . 1 ATOM 1480 H HB3 . ASN AAA 1 93 HB3 . ASN 93 -7.794 12.878 26.502 1.000 14.274 . 93 ASN AAA HB3 c 1 ATOM 1481 H HB2 . ASN AAA 1 93 HB2 . ASN 93 -6.809 12.336 25.387 1.000 14.278 . 93 ASN AAA HB2 c 1 ATOM 1482 C CG . ASN AAA 1 93 CG . ASN 93 -8.776 12.188 24.847 1.000 15.592 . 93 ASN AAA CG . 1 ATOM 1483 O OD1 . ASN AAA 1 93 OD1 . ASN 93 -9.574 12.891 24.216 1.000 19.062 . 93 ASN AAA OD1 . 1 ATOM 1484 N ND2 . ASN AAA 1 93 ND2 . ASN 93 -8.830 10.864 24.919 1.000 15.751 . 93 ASN AAA ND2 . 1 ATOM 1485 H HD21 . ASN AAA 1 93 HD21 . ASN 93 -9.496 10.427 24.532 0.000 15.830 . 93 ASN AAA HD21 c 1 ATOM 1486 H HD22 . ASN AAA 1 93 HD22 . ASN 93 -8.205 10.418 25.354 0.000 15.830 . 93 ASN AAA HD22 c 1 ATOM 1487 C C . ASN AAA 1 93 C . ASN 93 -6.352 14.982 25.959 1.000 12.058 . 93 ASN AAA C . 1 ATOM 1488 O O . ASN AAA 1 93 O . ASN 93 -6.747 15.667 26.929 1.000 12.644 . 93 ASN AAA O . 1 ATOM 1490 N N . CYS AAA 1 94 N . CYS 94 -5.063 14.898 25.616 1.000 12.002 . 94 CYS AAA N . 1 ATOM 1491 H H . CYS AAA 1 94 H . CYS 94 -4.733 14.446 24.897 1.000 11.981 . 94 CYS AAA H c 1 ATOM 1492 C CA . CYS AAA 1 94 CA . CYS 94 -4.040 15.558 26.425 1.000 11.847 . 94 CYS AAA CA . 1 ATOM 1493 H HA . CYS AAA 1 94 HA . CYS 94 -4.257 15.411 27.373 1.000 12.023 . 94 CYS AAA HA c 1 ATOM 1494 C CB . CYS AAA 1 94 CB . CYS 94 -2.675 14.948 26.139 1.000 12.344 . 94 CYS AAA CB . 1 ATOM 1495 H HB3 . CYS AAA 1 94 HB3 . CYS 94 -2.415 15.170 25.223 1.000 12.189 . 94 CYS AAA HB3 c 1 ATOM 1496 H HB2 . CYS AAA 1 94 HB2 . CYS 94 -2.744 13.974 26.202 1.000 12.188 . 94 CYS AAA HB2 c 1 ATOM 1497 S SG . CYS AAA 1 94 SG . CYS 94 -1.353 15.502 27.264 1.000 12.185 . 94 CYS AAA SG . 1 ATOM 1498 C C . CYS AAA 1 94 C . CYS 94 -4.074 17.047 26.143 1.000 12.107 . 94 CYS AAA C . 1 ATOM 1499 O O . CYS AAA 1 94 O . CYS 94 -3.942 17.837 27.069 1.000 12.157 . 94 CYS AAA O . 1 ATOM 1501 N N . ALA AAA 1 95 N . ALA 95 -4.217 17.425 24.894 1.000 13.191 . 95 ALA AAA N . 1 ATOM 1502 H H . ALA AAA 1 95 H . ALA 95 -4.297 16.858 24.185 1.000 12.721 . 95 ALA AAA H c 1 ATOM 1503 C CA . ALA AAA 1 95 CA . ALA 95 -4.247 18.846 24.511 1.000 12.326 . 95 ALA AAA CA . 1 ATOM 1504 H HA . ALA AAA 1 95 HA . ALA 95 -3.398 19.263 24.790 1.000 12.531 . 95 ALA AAA HA c 1 ATOM 1505 C CB . ALA AAA 1 95 CB . ALA 95 -4.393 18.995 23.040 1.000 12.756 . 95 ALA AAA CB . 1 ATOM 1506 H HB3 . ALA AAA 1 95 HB3 . ALA 95 -5.221 18.575 22.752 1.000 12.622 . 95 ALA AAA HB3 c 1 ATOM 1507 H HB2 . ALA AAA 1 95 HB2 . ALA 95 -3.643 18.568 22.594 1.000 12.622 . 95 ALA AAA HB2 c 1 ATOM 1508 H HB1 . ALA AAA 1 95 HB1 . ALA 95 -4.413 19.939 22.809 1.000 12.622 . 95 ALA AAA HB1 c 1 ATOM 1509 C C . ALA AAA 1 95 C . ALA 95 -5.395 19.540 25.248 1.000 12.136 . 95 ALA AAA C . 1 ATOM 1510 O O . ALA AAA 1 95 O . ALA 95 -5.257 20.725 25.623 1.000 11.733 . 95 ALA AAA O . 1 ATOM 1512 N N . LYS AAA 1 96 N . LYS 96 -6.514 18.852 25.430 1.000 12.329 . 96 LYS AAA N . 1 ATOM 1513 H H . LYS AAA 1 96 H . LYS 96 -6.628 17.999 25.130 1.000 12.321 . 96 LYS AAA H c 1 ATOM 1514 C CA . LYS AAA 1 96 CA . LYS 96 -7.681 19.412 26.113 1.000 12.482 . 96 LYS AAA CA . 1 ATOM 1515 H HA . LYS AAA 1 96 HA . LYS 96 -7.947 20.234 25.641 1.000 12.347 . 96 LYS AAA HA c 1 ATOM 1516 C CB . LYS AAA 1 96 CB . LYS 96 -8.853 18.439 26.093 1.000 12.397 . 96 LYS AAA CB . 1 ATOM 1517 H HB3 . LYS AAA 1 96 HB3 . LYS 96 -9.516 18.735 26.751 1.000 12.334 . 96 LYS AAA HB3 c 1 ATOM 1518 H HB2 . LYS AAA 1 96 HB2 . LYS 96 -8.531 17.556 26.368 1.000 12.334 . 96 LYS AAA HB2 c 1 ATOM 1519 C CG . LYS AAA 1 96 CG . LYS 96 -9.530 18.309 24.756 1.000 12.046 . 96 LYS AAA CG . 1 ATOM 1520 H HG3 . LYS AAA 1 96 HG3 . LYS 96 -8.877 17.997 24.096 1.000 12.193 . 96 LYS AAA HG3 c 1 ATOM 1521 H HG2 . LYS AAA 1 96 HG2 . LYS 96 -9.846 19.193 24.473 1.000 12.191 . 96 LYS AAA HG2 c 1 ATOM 1522 C CD . LYS AAA 1 96 CD . LYS 96 -10.693 17.358 24.788 1.000 12.313 . 96 LYS AAA CD . 1 ATOM 1523 H HD3 . LYS AAA 1 96 HD3 . LYS 96 -11.330 17.661 25.470 1.000 12.307 . 96 LYS AAA HD3 c 1 ATOM 1524 H HD2 . LYS AAA 1 96 HD2 . LYS 96 -10.369 16.472 25.058 1.000 12.307 . 96 LYS AAA HD2 c 1 ATOM 1525 C CE . LYS AAA 1 96 CE . LYS 96 -11.426 17.224 23.467 1.000 12.561 . 96 LYS AAA CE . 1 ATOM 1526 H HE3 . LYS AAA 1 96 HE3 . LYS 96 -10.792 17.012 22.756 1.000 12.962 . 96 LYS AAA HE3 c 1 ATOM 1527 H HE2 . LYS AAA 1 96 HE2 . LYS 96 -11.867 18.066 23.245 1.000 12.962 . 96 LYS AAA HE2 c 1 ATOM 1528 N NZ . LYS AAA 1 96 NZ . LYS 96 -12.455 16.132 23.559 1.000 14.639 . 96 LYS AAA NZ . 1 ATOM 1529 H HZ1 . LYS AAA 1 96 HZ1 . LYS 96 -12.052 15.345 23.759 1.000 13.965 . 96 LYS AAA HZ1 c 1 ATOM 1530 H HZ2 . LYS AAA 1 96 HZ2 . LYS 96 -12.889 16.050 22.766 1.000 13.965 . 96 LYS AAA HZ2 c 1 ATOM 1531 H HZ3 . LYS AAA 1 96 HZ3 . LYS 96 -13.058 16.331 24.207 1.000 13.965 . 96 LYS AAA HZ3 c 1 ATOM 1532 C C . LYS AAA 1 96 C . LYS 96 -7.289 19.778 27.536 1.000 12.014 . 96 LYS AAA C . 1 ATOM 1533 O O . LYS AAA 1 96 O . LYS 96 -7.715 20.797 28.051 1.000 11.748 . 96 LYS AAA O . 1 ATOM 1535 N N . LYS AAA 1 97 N . LYS 97 -6.479 18.952 28.164 1.000 12.639 . 97 LYS AAA N . 1 ATOM 1536 H H . LYS AAA 1 97 H . LYS 97 -6.150 18.185 27.799 1.000 12.779 . 97 LYS AAA H c 1 ATOM 1537 C CA . LYS AAA 1 97 CA . LYS 97 -6.058 19.221 29.546 1.000 13.864 . 97 LYS AAA CA . 1 ATOM 1538 H HA . LYS AAA 1 97 HA . LYS 97 -6.855 19.421 30.090 1.000 13.506 . 97 LYS AAA HA c 1 ATOM 1539 C CB . LYS AAA 1 97 CB . LYS 97 -5.336 18.032 30.137 1.000 14.768 . 97 LYS AAA CB . 1 ATOM 1540 H HB3 . LYS AAA 1 97 HB3 . LYS 97 -4.976 18.282 31.013 1.000 15.066 . 97 LYS AAA HB3 c 1 ATOM 1541 H HB2 . LYS AAA 1 97 HB2 . LYS 97 -4.584 17.796 29.555 1.000 15.061 . 97 LYS AAA HB2 c 1 ATOM 1542 C CG . LYS AAA 1 97 CG . LYS 97 -6.232 16.821 30.301 1.000 17.158 . 97 LYS AAA CG . 1 ATOM 1543 H HG3 . LYS AAA 1 97 HG3 . LYS 97 -6.371 16.415 29.420 1.000 17.076 . 97 LYS AAA HG3 c 1 ATOM 1544 H HG2 . LYS AAA 1 97 HG2 . LYS 97 -7.106 17.119 30.633 1.000 17.053 . 97 LYS AAA HG2 c 1 ATOM 1545 C CD . LYS AAA 1 97 CD . LYS 97 -5.683 15.777 31.238 1.000 19.453 . 97 LYS AAA CD . 1 ATOM 1546 H HD3 . LYS AAA 1 97 HD3 . LYS 97 -5.467 16.196 32.099 1.000 18.847 . 97 LYS AAA HD3 c 1 ATOM 1547 H HD2 . LYS AAA 1 97 HD2 . LYS 97 -4.857 15.406 30.862 1.000 18.852 . 97 LYS AAA HD2 c 1 ATOM 1548 C CE . LYS AAA 1 97 CE . LYS 97 -6.664 14.667 31.465 1.000 19.273 . 97 LYS AAA CE . 1 ATOM 1549 H HE3 . LYS AAA 1 97 HE3 . LYS 97 -7.543 15.041 31.662 1.000 20.115 . 97 LYS AAA HE3 c 1 ATOM 1550 H HE2 . LYS AAA 1 97 HE2 . LYS 97 -6.383 14.133 32.232 1.000 20.143 . 97 LYS AAA HE2 c 1 ATOM 1551 N NZ . LYS AAA 1 97 NZ . LYS 97 -6.768 13.788 30.278 1.000 22.938 . 97 LYS AAA NZ . 1 ATOM 1552 H HZ1 . LYS AAA 1 97 HZ1 . LYS 97 -7.132 14.246 29.585 1.000 21.716 . 97 LYS AAA HZ1 c 1 ATOM 1553 H HZ2 . LYS AAA 1 97 HZ2 . LYS 97 -7.295 13.075 30.469 1.000 21.734 . 97 LYS AAA HZ2 c 1 ATOM 1554 H HZ3 . LYS AAA 1 97 HZ3 . LYS 97 -5.944 13.492 30.040 1.000 21.728 . 97 LYS AAA HZ3 c 1 ATOM 1555 C C . LYS AAA 1 97 C . LYS 97 -5.123 20.415 29.573 1.000 12.354 . 97 LYS AAA C . 1 ATOM 1556 O O . LYS AAA 1 97 O . LYS 97 -5.267 21.271 30.446 1.000 12.839 . 97 LYS AAA O . 1 ATOM 1558 N N . ILE AAA 1 98 N . ILE 98 -4.188 20.482 28.622 1.000 13.631 . 98 ILE AAA N . 1 ATOM 1559 H H . ILE AAA 1 98 H . ILE 98 -4.118 19.889 27.936 1.000 13.079 . 98 ILE AAA H c 1 ATOM 1560 C CA . ILE AAA 1 98 CA . ILE 98 -3.200 21.587 28.604 1.000 12.672 . 98 ILE AAA CA . 1 ATOM 1561 H HA . ILE AAA 1 98 HA . ILE 98 -2.724 21.594 29.453 1.000 12.581 . 98 ILE AAA HA c 1 ATOM 1562 C CB . ILE AAA 1 98 CB . ILE 98 -2.178 21.353 27.464 1.000 11.324 . 98 ILE AAA CB . 1 ATOM 1563 H HB . ILE AAA 1 98 HB . ILE 98 -2.673 21.334 26.608 1.000 11.746 . 98 ILE AAA HB c 1 ATOM 1564 C CG1 . ILE AAA 1 98 CG1 . ILE 98 -1.440 20.037 27.611 1.000 11.940 . 98 ILE AAA CG1 . 1 ATOM 1565 H HG12 . ILE AAA 1 98 HG12 . ILE 98 -2.095 19.313 27.662 1.000 11.785 . 98 ILE AAA HG12 c 1 ATOM 1566 H HG13 . ILE AAA 1 98 HG13 . ILE 98 -0.951 20.053 28.457 1.000 11.781 . 98 ILE AAA HG13 c 1 ATOM 1567 C CG2 . ILE AAA 1 98 CG2 . ILE 98 -1.206 22.538 27.429 1.000 11.632 . 98 ILE AAA CG2 . 1 ATOM 1568 H HG21 . ILE AAA 1 98 HG21 . ILE 98 -1.694 23.360 27.252 1.000 11.539 . 98 ILE AAA HG21 c 1 ATOM 1569 H HG22 . ILE AAA 1 98 HG22 . ILE 98 -0.547 22.402 26.727 1.000 11.538 . 98 ILE AAA HG22 c 1 ATOM 1570 C CD1 . ILE AAA 1 98 CD1 . ILE 98 -0.464 19.716 26.500 1.000 11.873 . 98 ILE AAA CD1 . 1 ATOM 1571 H HD11 . ILE AAA 1 98 HD11 . ILE 98 -0.913 19.792 25.640 1.000 11.894 . 98 ILE AAA HD11 c 1 ATOM 1572 H HD12 . ILE AAA 1 98 HD12 . ILE 98 -0.132 18.808 26.612 1.000 11.895 . 98 ILE AAA HD12 c 1 ATOM 1573 H HD13 . ILE AAA 1 98 HD13 . ILE 98 0.284 20.338 26.530 1.000 11.893 . 98 ILE AAA HD13 c 1 ATOM 1574 H HG23 . ILE AAA 1 98 HG23 . ILE 98 -0.751 22.612 28.286 1.000 11.537 . 98 ILE AAA HG23 c 1 ATOM 1575 C C . ILE AAA 1 98 C . ILE 98 -3.909 22.930 28.422 1.000 12.695 . 98 ILE AAA C . 1 ATOM 1576 O O . ILE AAA 1 98 O . ILE 98 -3.681 23.871 29.166 1.000 12.858 . 98 ILE AAA O . 1 ATOM 1578 N N . VAL AAA 1 99 N . VAL 99 -4.740 23.025 27.396 1.000 13.223 . 99 VAL AAA N . 1 ATOM 1579 H H . VAL AAA 1 99 H . VAL 99 -4.928 22.333 26.835 1.000 13.046 . 99 VAL AAA H c 1 ATOM 1580 C CA . VAL AAA 1 99 CA . VAL 99 -5.435 24.286 27.076 1.000 13.023 . 99 VAL AAA CA . 1 ATOM 1581 H HA . VAL AAA 1 99 HA . VAL 99 -4.759 24.979 26.964 1.000 13.074 . 99 VAL AAA HA c 1 ATOM 1582 C CB . VAL AAA 1 99 CB . VAL 99 -6.199 24.155 25.764 1.000 12.639 . 99 VAL AAA CB . 1 ATOM 1583 H HB . VAL AAA 1 99 HB . VAL 99 -5.608 23.696 25.119 1.000 12.671 . 99 VAL AAA HB c 1 ATOM 1584 C CG1 . VAL AAA 1 99 CG1 . VAL 99 -7.462 23.309 25.933 1.000 12.520 . 99 VAL AAA CG1 . 1 ATOM 1585 H HG11 . VAL AAA 1 99 HG11 . VAL 99 -7.219 22.427 26.262 1.000 12.554 . 99 VAL AAA HG11 c 1 ATOM 1586 H HG12 . VAL AAA 1 99 HG12 . VAL 99 -7.908 23.220 25.073 1.000 12.557 . 99 VAL AAA HG12 c 1 ATOM 1587 H HG13 . VAL AAA 1 99 HG13 . VAL 99 -8.062 23.737 26.564 1.000 12.561 . 99 VAL AAA HG13 c 1 ATOM 1588 C CG2 . VAL AAA 1 99 CG2 . VAL 99 -6.538 25.547 25.191 1.000 12.569 . 99 VAL AAA CG2 . 1 ATOM 1589 H HG21 . VAL AAA 1 99 HG21 . VAL 99 -7.118 26.024 25.808 1.000 12.596 . 99 VAL AAA HG21 c 1 ATOM 1590 H HG22 . VAL AAA 1 99 HG22 . VAL 99 -6.992 25.443 24.336 1.000 12.592 . 99 VAL AAA HG22 c 1 ATOM 1591 H HG23 . VAL AAA 1 99 HG23 . VAL 99 -5.718 26.052 25.060 1.000 12.593 . 99 VAL AAA HG23 c 1 ATOM 1592 C C . VAL AAA 1 99 C . VAL 99 -6.363 24.710 28.226 1.000 13.505 . 99 VAL AAA C . 1 ATOM 1593 O O . VAL AAA 1 99 O . VAL 99 -6.813 25.869 28.266 1.000 14.341 . 99 VAL AAA O . 1 ATOM 1595 N N . SER AAA 1 100 N . SER 100 -6.701 23.796 29.125 1.000 13.938 . 100 SER AAA N . 1 ATOM 1596 H H . SER AAA 1 100 H . SER 100 -6.433 22.928 29.092 1.000 13.987 . 100 SER AAA H c 1 ATOM 1597 C CA . SER AAA 1 100 CA . SER 100 -7.600 24.066 30.278 1.000 14.630 . 100 SER AAA CA . 1 ATOM 1598 H HA . SER AAA 1 100 HA . SER 100 -8.229 24.793 30.019 1.000 14.486 . 100 SER AAA HA c 1 ATOM 1599 C CB . SER AAA 1 100 CB . SER 100 -8.405 22.842 30.619 1.000 14.837 . 100 SER AAA CB . 1 ATOM 1600 H HB3 . SER AAA 1 100 HB3 . SER 100 -9.005 23.055 31.369 1.000 14.954 . 100 SER AAA HB3 c 1 ATOM 1601 H HB2 . SER AAA 1 100 HB2 . SER 100 -7.792 22.134 30.921 1.000 14.952 . 100 SER AAA HB2 c 1 ATOM 1602 O OG . SER AAA 1 100 OG . SER 100 -9.181 22.348 29.540 1.000 15.572 . 100 SER AAA OG . 1 ATOM 1603 H HG . SER AAA 1 100 HG . SER 100 -9.604 21.666 29.801 0.000 15.810 . 100 SER AAA HG c 1 ATOM 1604 C C . SER AAA 1 100 C . SER 100 -6.829 24.518 31.513 1.000 14.386 . 100 SER AAA C . 1 ATOM 1605 O O . SER AAA 1 100 O . SER 100 -7.473 24.875 32.501 1.000 14.177 . 100 SER AAA O . 1 ATOM 1607 N N . ASP AAA 1 101 N . ASP 101 -5.501 24.485 31.505 1.000 14.628 . 101 ASP AAA N . 1 ATOM 1608 H H . ASP AAA 1 101 H . ASP 101 -5.005 24.308 30.763 1.000 14.672 . 101 ASP AAA H c 1 ATOM 1609 C CA . ASP AAA 1 101 CA . ASP 101 -4.706 24.743 32.737 1.000 15.085 . 101 ASP AAA CA . 1 ATOM 1610 H HA . ASP AAA 1 101 HA . ASP 101 -5.166 24.282 33.478 1.000 15.061 . 101 ASP AAA HA c 1 ATOM 1611 C CB . ASP AAA 1 101 CB . ASP 101 -3.326 24.133 32.638 1.000 15.492 . 101 ASP AAA CB . 1 ATOM 1612 H HB3 . ASP AAA 1 101 HB3 . ASP 101 -3.410 23.210 32.323 1.000 15.511 . 101 ASP AAA HB3 c 1 ATOM 1613 H HB2 . ASP AAA 1 101 HB2 . ASP 101 -2.939 24.114 33.534 1.000 15.536 . 101 ASP AAA HB2 c 1 ATOM 1614 C CG . ASP AAA 1 101 CG . ASP 101 -2.347 24.857 31.729 1.000 15.968 . 101 ASP AAA CG . 1 ATOM 1615 O OD1 . ASP AAA 1 101 OD1 . ASP 101 -2.677 25.930 31.186 1.000 16.841 . 101 ASP AAA OD1 . 1 ATOM 1616 O OD2 . ASP AAA 1 101 OD2 . ASP 101 -1.274 24.298 31.526 1.000 17.392 . 101 ASP AAA OD2 . 1 ATOM 1617 C C . ASP AAA 1 101 C . ASP 101 -4.576 26.223 33.131 1.000 15.038 . 101 ASP AAA C . 1 ATOM 1618 O O . ASP AAA 1 101 O . ASP 101 -3.907 26.505 34.142 1.000 15.119 . 101 ASP AAA O . 1 ATOM 1620 N N . GLY AAA 1 102 N . GLY 102 -5.154 27.159 32.392 1.000 15.592 . 102 GLY AAA N . 1 ATOM 1621 H H . GLY AAA 1 102 H . GLY 102 -5.610 26.985 31.624 1.000 15.205 . 102 GLY AAA H c 1 ATOM 1622 C CA . GLY AAA 1 102 CA . GLY 102 -5.077 28.578 32.773 1.000 14.542 . 102 GLY AAA CA . 1 ATOM 1623 H HA3 . GLY AAA 1 102 HA3 . GLY 102 -4.519 28.660 33.586 1.000 14.770 . 102 GLY AAA HA3 c 1 ATOM 1624 H HA2 . GLY AAA 1 102 HA2 . GLY 102 -5.988 28.886 33.011 1.000 14.768 . 102 GLY AAA HA2 c 1 ATOM 1625 C C . GLY AAA 1 102 C . GLY 102 -4.515 29.500 31.700 1.000 14.481 . 102 GLY AAA C . 1 ATOM 1626 O O . GLY AAA 1 102 O . GLY 102 -4.960 30.663 31.608 1.000 13.930 . 102 GLY AAA O . 1 ATOM 1628 N N . ASN AAA 1 103 N . ASN 103 -3.589 29.039 30.873 1.000 13.932 . 103 ASN AAA N . 1 ATOM 1629 H H . ASN AAA 1 103 H . ASN 103 -3.288 28.179 30.870 1.000 14.090 . 103 ASN AAA H c 1 ATOM 1630 C CA . ASN AAA 1 103 CA . ASN 103 -2.965 29.934 29.873 1.000 14.047 . 103 ASN AAA CA . 1 ATOM 1631 H HA . ASN AAA 1 103 HA . ASN 103 -3.209 30.862 30.091 1.000 14.221 . 103 ASN AAA HA c 1 ATOM 1632 C CB . ASN AAA 1 103 CB . ASN 103 -1.450 29.820 29.991 1.000 15.551 . 103 ASN AAA CB . 1 ATOM 1633 H HB3 . ASN AAA 1 103 HB3 . ASN 103 -1.032 30.373 29.300 1.000 15.523 . 103 ASN AAA HB3 c 1 ATOM 1634 H HB2 . ASN AAA 1 103 HB2 . ASN 103 -1.187 28.890 29.839 1.000 15.539 . 103 ASN AAA HB2 c 1 ATOM 1635 C CG . ASN AAA 1 103 CG . ASN 103 -0.948 30.262 31.345 1.000 17.083 . 103 ASN AAA CG . 1 ATOM 1636 O OD1 . ASN AAA 1 103 OD1 . ASN 103 -1.552 31.155 31.952 1.000 18.466 . 103 ASN AAA OD1 . 1 ATOM 1637 N ND2 . ASN AAA 1 103 ND2 . ASN 103 0.177 29.690 31.792 1.000 18.846 . 103 ASN AAA ND2 . 1 ATOM 1638 H HD21 . ASN AAA 1 103 HD21 . ASN 103 0.514 29.926 32.580 0.000 18.960 . 103 ASN AAA HD21 c 1 ATOM 1639 H HD22 . ASN AAA 1 103 HD22 . ASN 103 0.603 29.096 31.296 0.000 18.960 . 103 ASN AAA HD22 c 1 ATOM 1640 C C . ASN AAA 1 103 C . ASN 103 -3.461 29.631 28.472 1.000 13.609 . 103 ASN AAA C . 1 ATOM 1641 O O . ASN AAA 1 103 O . ASN 103 -2.854 30.117 27.516 1.000 13.983 . 103 ASN AAA O . 1 ATOM 1643 N N . GLY AAA 1 104 N . GLY 104 -4.562 28.903 28.331 1.000 12.664 . 104 GLY AAA N . 1 ATOM 1644 H H . GLY AAA 1 104 H . GLY 104 -4.990 28.516 29.034 1.000 12.720 . 104 GLY AAA H c 1 ATOM 1645 C CA . GLY AAA 1 104 CA . GLY 104 -5.193 28.656 27.029 1.000 11.985 . 104 GLY AAA CA . 1 ATOM 1646 H HA3 . GLY AAA 1 104 HA3 . GLY 104 -5.612 29.494 26.710 1.000 12.317 . 104 GLY AAA HA3 c 1 ATOM 1647 H HA2 . GLY AAA 1 104 HA2 . GLY 104 -5.903 27.977 27.137 1.000 12.321 . 104 GLY AAA HA2 c 1 ATOM 1648 C C . GLY AAA 1 104 C . GLY 104 -4.176 28.170 25.997 1.000 12.745 . 104 GLY AAA C . 1 ATOM 1649 O O . GLY AAA 1 104 O . GLY 104 -3.266 27.380 26.316 1.000 12.267 . 104 GLY AAA O . 1 ATOM 1651 N N . MET AAA 1 105 N . MET 105 -4.291 28.627 24.759 1.000 11.505 . 105 MET AAA N . 1 ATOM 1652 H H . MET AAA 1 105 H . MET 105 -4.891 29.259 24.504 1.000 11.631 . 105 MET AAA H c 1 ATOM 1653 C CA . MET AAA 1 105 CA . MET 105 -3.390 28.135 23.692 1.000 10.923 . 105 MET AAA CA . 1 ATOM 1654 H HA . MET AAA 1 105 HA . MET 105 -3.248 27.177 23.864 1.000 10.899 . 105 MET AAA HA c 1 ATOM 1655 C CB . MET AAA 1 105 CB . MET 105 -4.034 28.267 22.305 1.000 9.933 . 105 MET AAA CB . 1 ATOM 1656 H HB3 . MET AAA 1 105 HB3 . MET 105 -3.346 28.170 21.618 1.000 10.012 . 105 MET AAA HB3 c 1 ATOM 1657 H HB2 . MET AAA 1 105 HB2 . MET 105 -4.434 29.155 22.217 1.000 10.010 . 105 MET AAA HB2 c 1 ATOM 1658 C CG . MET AAA 1 105 CG . MET 105 -5.118 27.187 22.103 1.000 9.318 . 105 MET AAA CG . 1 ATOM 1659 H HG3 . MET AAA 1 105 HG3 . MET 105 -5.904 27.409 22.646 1.000 9.797 . 105 MET AAA HG3 c 1 ATOM 1660 H HG2 . MET AAA 1 105 HG2 . MET 105 -4.775 26.319 22.404 1.000 9.798 . 105 MET AAA HG2 c 1 ATOM 1661 S SD . MET AAA 1 105 SD . MET 105 -5.618 27.052 20.370 1.000 10.806 . 105 MET AAA SD . 1 ATOM 1662 C CE . MET AAA 1 105 CE . MET 105 -4.297 26.014 19.731 1.000 10.902 . 105 MET AAA CE . 1 ATOM 1663 H HE3 . MET AAA 1 105 HE3 . MET 105 -4.281 25.179 20.214 1.000 10.870 . 105 MET AAA HE3 c 1 ATOM 1664 H HE2 . MET AAA 1 105 HE2 . MET 105 -3.451 26.466 19.841 1.000 10.872 . 105 MET AAA HE2 c 1 ATOM 1665 H HE1 . MET AAA 1 105 HE1 . MET 105 -4.449 25.840 18.794 1.000 10.872 . 105 MET AAA HE1 c 1 ATOM 1666 C C . MET AAA 1 105 C . MET 105 -2.000 28.805 23.738 1.000 11.277 . 105 MET AAA C . 1 ATOM 1667 O O . MET AAA 1 105 O . MET 105 -1.148 28.436 22.920 1.000 11.703 . 105 MET AAA O . 1 ATOM 1669 N N . ASN AAA 1 106 N . ASN 106 -1.733 29.698 24.679 1.000 11.521 . 106 ASN AAA N . 1 ATOM 1670 H H . ASN AAA 1 106 H . ASN 106 -2.334 29.970 25.305 1.000 11.594 . 106 ASN AAA H c 1 ATOM 1671 C CA . ASN AAA 1 106 CA . ASN 106 -0.411 30.351 24.770 1.000 12.079 . 106 ASN AAA CA . 1 ATOM 1672 H HA . ASN AAA 1 106 HA . ASN 106 -0.175 30.705 23.881 1.000 11.670 . 106 ASN AAA HA c 1 ATOM 1673 C CB . ASN AAA 1 106 CB . ASN 106 -0.426 31.534 25.763 1.000 11.317 . 106 ASN AAA CB . 1 ATOM 1674 H HB3 . ASN AAA 1 106 HB3 . ASN 106 0.496 31.828 25.915 1.000 11.825 . 106 ASN AAA HB3 c 1 ATOM 1675 H HB2 . ASN AAA 1 106 HB2 . ASN 106 -0.789 31.227 26.617 1.000 11.829 . 106 ASN AAA HB2 c 1 ATOM 1676 C CG . ASN AAA 1 106 CG . ASN 106 -1.245 32.717 25.271 1.000 12.774 . 106 ASN AAA CG . 1 ATOM 1677 O OD1 . ASN AAA 1 106 OD1 . ASN 106 -0.872 33.305 24.260 1.000 11.969 . 106 ASN AAA OD1 . 1 ATOM 1678 N ND2 . ASN AAA 1 106 ND2 . ASN 106 -2.380 32.991 25.946 1.000 12.628 . 106 ASN AAA ND2 . 1 ATOM 1679 H HD21 . ASN AAA 1 106 HD21 . ASN 106 -2.886 33.671 25.694 0.000 12.820 . 106 ASN AAA HD21 c 1 ATOM 1680 H HD22 . ASN AAA 1 106 HD22 . ASN 106 -2.616 32.494 26.636 0.000 12.820 . 106 ASN AAA HD22 c 1 ATOM 1681 C C . ASN AAA 1 106 C . ASN 106 0.619 29.286 25.169 1.000 11.282 . 106 ASN AAA C . 1 ATOM 1682 O O . ASN AAA 1 106 O . ASN 106 1.838 29.515 25.141 1.000 12.202 . 106 ASN AAA O . 1 ATOM 1684 N N . ALA AAA 1 107 N . ALA 107 0.138 28.120 25.593 1.000 11.518 . 107 ALA AAA N . 1 ATOM 1685 H H . ALA AAA 1 107 H . ALA 107 -0.743 27.937 25.721 1.000 11.447 . 107 ALA AAA H c 1 ATOM 1686 C CA . ALA AAA 1 107 CA . ALA 107 1.026 26.998 25.976 1.000 11.456 . 107 ALA AAA CA . 1 ATOM 1687 H HA . ALA AAA 1 107 HA . ALA 107 1.660 27.311 26.663 1.000 11.435 . 107 ALA AAA HA c 1 ATOM 1688 C CB . ALA AAA 1 107 CB . ALA 107 0.201 25.868 26.537 1.000 11.347 . 107 ALA AAA CB . 1 ATOM 1689 H HB3 . ALA AAA 1 107 HB3 . ALA 107 -0.445 25.574 25.873 1.000 11.389 . 107 ALA AAA HB3 c 1 ATOM 1690 H HB2 . ALA AAA 1 107 HB2 . ALA 107 -0.267 26.171 27.331 1.000 11.418 . 107 ALA AAA HB2 c 1 ATOM 1691 H HB1 . ALA AAA 1 107 HB1 . ALA 107 0.784 25.125 26.771 1.000 11.389 . 107 ALA AAA HB1 c 1 ATOM 1692 C C . ALA AAA 1 107 C . ALA 107 1.809 26.527 24.755 1.000 11.387 . 107 ALA AAA C . 1 ATOM 1693 O O . ALA AAA 1 107 O . ALA 107 2.909 25.978 24.893 1.000 12.026 . 107 ALA AAA O . 1 ATOM 1695 N N . TRP AAA 1 108 N . TRP 108 1.256 26.789 23.569 1.000 11.255 . 108 TRP AAA N . 1 ATOM 1696 H H . TRP AAA 1 108 H . TRP 108 0.438 27.171 23.459 1.000 11.423 . 108 TRP AAA H c 1 ATOM 1697 C CA . TRP AAA 1 108 CA . TRP 108 1.935 26.429 22.299 1.000 11.859 . 108 TRP AAA CA . 1 ATOM 1698 H HA . TRP AAA 1 108 HA . TRP 108 2.632 25.756 22.479 1.000 11.408 . 108 TRP AAA HA c 1 ATOM 1699 C CB . TRP AAA 1 108 CB . TRP 108 0.918 25.852 21.307 1.000 10.695 . 108 TRP AAA CB . 1 ATOM 1700 H HB3 . TRP AAA 1 108 HB3 . TRP 108 1.324 25.833 20.417 1.000 11.066 . 108 TRP AAA HB3 c 1 ATOM 1701 H HB2 . TRP AAA 1 108 HB2 . TRP 108 0.140 26.445 21.274 1.000 11.066 . 108 TRP AAA HB2 c 1 ATOM 1702 C CG . TRP AAA 1 108 CG . TRP 108 0.476 24.476 21.679 1.000 11.148 . 108 TRP AAA CG . 1 ATOM 1703 C CD1 . TRP AAA 1 108 CD1 . TRP 108 1.141 23.306 21.451 1.000 10.937 . 108 TRP AAA CD1 . 1 ATOM 1704 H HD1 . TRP AAA 1 108 HD1 . TRP 108 1.957 23.224 20.981 1.000 11.244 . 108 TRP AAA HD1 c 1 ATOM 1705 N NE1 . TRP AAA 1 108 NE1 . TRP 108 0.431 22.253 21.962 1.000 12.418 . 108 TRP AAA NE1 . 1 ATOM 1706 H HE1 . TRP AAA 1 108 HE1 . TRP 108 0.681 21.419 21.939 1.000 11.674 . 108 TRP AAA HE1 c 1 ATOM 1707 C CE2 . TRP AAA 1 108 CE2 . TRP 108 -0.701 22.719 22.567 1.000 11.453 . 108 TRP AAA CE2 . 1 ATOM 1708 C CD2 . TRP AAA 1 108 CD2 . TRP 108 -0.692 24.123 22.428 1.000 10.334 . 108 TRP AAA CD2 . 1 ATOM 1709 C CE3 . TRP AAA 1 108 CE3 . TRP 108 -1.786 24.836 22.924 1.000 10.691 . 108 TRP AAA CE3 . 1 ATOM 1710 H HE3 . TRP AAA 1 108 HE3 . TRP 108 -1.806 25.777 22.866 1.000 10.556 . 108 TRP AAA HE3 c 1 ATOM 1711 C CZ3 . TRP AAA 1 108 CZ3 . TRP 108 -2.768 24.154 23.617 1.000 10.242 . 108 TRP AAA CZ3 . 1 ATOM 1712 H HZ3 . TRP AAA 1 108 HZ3 . TRP 108 -3.491 24.638 23.982 1.000 10.439 . 108 TRP AAA HZ3 c 1 ATOM 1713 C CH2 . TRP AAA 1 108 CH2 . TRP 108 -2.731 22.776 23.787 1.000 10.335 . 108 TRP AAA CH2 . 1 ATOM 1714 H HH2 . TRP AAA 1 108 HH2 . TRP 108 -3.441 22.342 24.226 1.000 10.442 . 108 TRP AAA HH2 c 1 ATOM 1715 C CZ2 . TRP AAA 1 108 CZ2 . TRP 108 -1.695 22.032 23.270 1.000 10.579 . 108 TRP AAA CZ2 . 1 ATOM 1716 H HZ2 . TRP AAA 1 108 HZ2 . TRP 108 -1.677 21.093 23.348 1.000 10.739 . 108 TRP AAA HZ2 c 1 ATOM 1717 C C . TRP AAA 1 108 C . TRP 108 2.570 27.724 21.804 1.000 11.301 . 108 TRP AAA C . 1 ATOM 1718 O O . TRP AAA 1 108 O . TRP 108 1.850 28.596 21.265 1.000 11.318 . 108 TRP AAA O . 1 ATOM 1720 N N . VAL AAA 1 109 N . VAL 109 3.884 27.878 21.993 1.000 11.772 . 109 VAL AAA N . 1 ATOM 1721 H H . VAL AAA 1 109 H . VAL 109 4.421 27.251 22.377 1.000 11.577 . 109 VAL AAA H c 1 ATOM 1722 C CA . VAL AAA 1 109 CA . VAL 109 4.567 29.113 21.561 1.000 11.433 . 109 VAL AAA CA . 1 ATOM 1723 H HA . VAL AAA 1 109 HA . VAL 109 4.200 29.859 22.068 1.000 11.555 . 109 VAL AAA HA c 1 ATOM 1724 C CB A VAL AAA 1 109 CB . VAL 109 6.083 29.007 21.868 0.500 11.461 . 109 VAL AAA CB . 1 ATOM 1725 H HB . VAL AAA 1 109 HB . VAL 109 6.397 28.139 21.513 0.500 11.558 . 109 VAL AAA HB c 1 ATOM 1726 C CG1 A VAL AAA 1 109 CG1 . VAL 109 6.881 30.107 21.178 0.500 12.069 . 109 VAL AAA CG1 . 1 ATOM 1727 H HG11 . VAL AAA 1 109 HG11 . VAL 109 6.889 29.953 20.217 0.500 11.878 . 109 VAL AAA HG11 c 1 ATOM 1728 H HG12 . VAL AAA 1 109 HG12 . VAL 109 7.795 30.102 21.513 0.500 11.879 . 109 VAL AAA HG12 c 1 ATOM 1729 H HG13 . VAL AAA 1 109 HG13 . VAL 109 6.472 30.971 21.365 0.500 11.879 . 109 VAL AAA HG13 c 1 ATOM 1730 C CG2 A VAL AAA 1 109 CG2 . VAL 109 6.366 29.028 23.346 0.500 11.334 . 109 VAL AAA CG2 . 1 ATOM 1731 H HG21 . VAL AAA 1 109 HG21 . VAL 109 6.043 29.863 23.726 0.500 11.376 . 109 VAL AAA HG21 c 1 ATOM 1732 H HG22 . VAL AAA 1 109 HG22 . VAL 109 7.325 28.956 23.493 0.500 11.376 . 109 VAL AAA HG22 c 1 ATOM 1733 H HG23 . VAL AAA 1 109 HG23 . VAL 109 5.916 28.281 23.776 0.500 11.388 . 109 VAL AAA HG23 c 1 ATOM 1734 C C . VAL AAA 1 109 C . VAL 109 4.337 29.378 20.079 1.000 11.713 . 109 VAL AAA C . 1 ATOM 1735 O O . VAL AAA 1 109 O . VAL 109 4.194 30.527 19.695 1.000 11.815 . 109 VAL AAA O . 1 ATOM 1737 N N . ALA AAA 1 110 N . ALA 110 4.370 28.346 19.236 1.000 11.246 . 110 ALA AAA N . 1 ATOM 1738 H H . ALA AAA 1 110 H . ALA 110 4.508 27.477 19.471 1.000 11.303 . 110 ALA AAA H c 1 ATOM 1739 C CA . ALA AAA 1 110 CA . ALA 110 4.180 28.551 17.789 1.000 11.023 . 110 ALA AAA CA . 1 ATOM 1740 H HA . ALA AAA 1 110 HA . ALA 110 4.843 29.211 17.479 1.000 11.261 . 110 ALA AAA HA c 1 ATOM 1741 C CB . ALA AAA 1 110 CB . ALA 110 4.399 27.260 17.042 1.000 11.777 . 110 ALA AAA CB . 1 ATOM 1742 H HB3 . ALA AAA 1 110 HB3 . ALA 110 3.747 26.601 17.332 1.000 11.539 . 110 ALA AAA HB3 c 1 ATOM 1743 H HB2 . ALA AAA 1 110 HB2 . ALA 110 5.295 26.929 17.220 1.000 11.539 . 110 ALA AAA HB2 c 1 ATOM 1744 H HB1 . ALA AAA 1 110 HB1 . ALA 110 4.297 27.416 16.088 1.000 11.539 . 110 ALA AAA HB1 c 1 ATOM 1745 C C . ALA AAA 1 110 C . ALA 110 2.774 29.098 17.486 1.000 11.308 . 110 ALA AAA C . 1 ATOM 1746 O O . ALA AAA 1 110 O . ALA 110 2.617 29.841 16.502 1.000 10.893 . 110 ALA AAA O . 1 ATOM 1748 N N . TRP AAA 1 111 N . TRP 111 1.795 28.768 18.309 1.000 11.536 . 111 TRP AAA N . 1 ATOM 1749 H H . TRP AAA 1 111 H . TRP 111 1.886 28.199 19.014 1.000 11.402 . 111 TRP AAA H c 1 ATOM 1750 C CA . TRP AAA 1 111 CA . TRP 111 0.437 29.302 18.117 1.000 11.197 . 111 TRP AAA CA . 1 ATOM 1751 H HA . TRP AAA 1 111 HA . TRP 111 0.179 29.176 17.176 1.000 11.471 . 111 TRP AAA HA c 1 ATOM 1752 C CB . TRP AAA 1 111 CB . TRP 111 -0.576 28.587 19.002 1.000 11.700 . 111 TRP AAA CB . 1 ATOM 1753 H HB3 . TRP AAA 1 111 HB3 . TRP 111 -0.252 28.599 19.924 1.000 11.248 . 111 TRP AAA HB3 c 1 ATOM 1754 H HB2 . TRP AAA 1 111 HB2 . TRP 111 -0.641 27.653 18.713 1.000 11.248 . 111 TRP AAA HB2 c 1 ATOM 1755 C CG . TRP AAA 1 111 CG . TRP 111 -1.925 29.221 18.942 1.000 10.341 . 111 TRP AAA CG . 1 ATOM 1756 C CD1 . TRP AAA 1 111 CD1 . TRP 111 -2.902 28.986 18.011 1.000 9.825 . 111 TRP AAA CD1 . 1 ATOM 1757 H HD1 . TRP AAA 1 111 HD1 . TRP 111 -2.830 28.388 17.283 1.000 10.067 . 111 TRP AAA HD1 c 1 ATOM 1758 N NE1 . TRP AAA 1 111 NE1 . TRP 111 -3.971 29.823 18.230 1.000 10.118 . 111 TRP AAA NE1 . 1 ATOM 1759 H HE1 . TRP AAA 1 111 HE1 . TRP 111 -4.711 29.828 17.771 1.000 10.202 . 111 TRP AAA HE1 c 1 ATOM 1760 C CE2 . TRP AAA 1 111 CE2 . TRP 111 -3.714 30.574 19.343 1.000 10.651 . 111 TRP AAA CE2 . 1 ATOM 1761 C CD2 . TRP AAA 1 111 CD2 . TRP 111 -2.425 30.234 19.809 1.000 10.243 . 111 TRP AAA CD2 . 1 ATOM 1762 C CE3 . TRP AAA 1 111 CE3 . TRP 111 -1.928 30.868 20.955 1.000 10.511 . 111 TRP AAA CE3 . 1 ATOM 1763 H HE3 . TRP AAA 1 111 HE3 . TRP 111 -1.061 30.680 21.277 1.000 10.531 . 111 TRP AAA HE3 c 1 ATOM 1764 C CZ3 . TRP AAA 1 111 CZ3 . TRP 111 -2.723 31.837 21.557 1.000 10.976 . 111 TRP AAA CZ3 . 1 ATOM 1765 H HZ3 . TRP AAA 1 111 HZ3 . TRP 111 -2.404 32.281 22.325 1.000 10.633 . 111 TRP AAA HZ3 c 1 ATOM 1766 C CH2 . TRP AAA 1 111 CH2 . TRP 111 -3.990 32.143 21.078 1.000 10.158 . 111 TRP AAA CH2 . 1 ATOM 1767 H HH2 . TRP AAA 1 111 HH2 . TRP 111 -4.507 32.789 21.525 1.000 10.315 . 111 TRP AAA HH2 c 1 ATOM 1768 C CZ2 . TRP AAA 1 111 CZ2 . TRP 111 -4.509 31.519 19.975 1.000 9.981 . 111 TRP AAA CZ2 . 1 ATOM 1769 H HZ2 . TRP AAA 1 111 HZ2 . TRP 111 -5.367 31.729 19.649 1.000 10.207 . 111 TRP AAA HZ2 c 1 ATOM 1770 C C . TRP AAA 1 111 C . TRP 111 0.468 30.789 18.443 1.000 11.819 . 111 TRP AAA C . 1 ATOM 1771 O O . TRP AAA 1 111 O . TRP 111 -0.084 31.583 17.683 1.000 11.612 . 111 TRP AAA O . 1 ATOM 1773 N N . ARG AAA 1 112 N . ARG 112 1.041 31.130 19.578 1.000 11.422 . 112 ARG AAA N . 1 ATOM 1774 H H . ARG AAA 1 112 H . ARG 112 1.412 30.541 20.166 1.000 11.589 . 112 ARG AAA H c 1 ATOM 1775 C CA . ARG AAA 1 112 CA . ARG 112 1.097 32.555 19.969 1.000 11.730 . 112 ARG AAA CA . 1 ATOM 1776 H HA . ARG AAA 1 112 HA . ARG 112 0.173 32.887 20.044 1.000 11.882 . 112 ARG AAA HA c 1 ATOM 1777 C CB . ARG AAA 1 112 CB . ARG 112 1.788 32.739 21.316 1.000 13.236 . 112 ARG AAA CB . 1 ATOM 1778 H HB3 . ARG AAA 1 112 HB3 . ARG 112 2.690 32.360 21.264 1.000 13.327 . 112 ARG AAA HB3 c 1 ATOM 1779 H HB2 . ARG AAA 1 112 HB2 . ARG 112 1.288 32.245 21.999 1.000 13.327 . 112 ARG AAA HB2 c 1 ATOM 1780 C CG . ARG AAA 1 112 CG . ARG 112 1.886 34.208 21.733 1.000 15.375 . 112 ARG AAA CG . 1 ATOM 1781 H HG3 . ARG AAA 1 112 HG3 . ARG 112 1.018 34.637 21.578 1.000 15.279 . 112 ARG AAA HG3 c 1 ATOM 1782 H HG2 . ARG AAA 1 112 HG2 . ARG 112 2.539 34.656 21.155 1.000 15.283 . 112 ARG AAA HG2 c 1 ATOM 1783 C CD . ARG AAA 1 112 CD . ARG 112 2.289 34.450 23.192 1.000 17.385 . 112 ARG AAA CD . 1 ATOM 1784 H HD3 . ARG AAA 1 112 HD3 . ARG 112 1.540 34.199 23.773 1.000 17.101 . 112 ARG AAA HD3 c 1 ATOM 1785 H HD2 . ARG AAA 1 112 HD2 . ARG 112 2.458 35.407 23.324 1.000 17.125 . 112 ARG AAA HD2 c 1 ATOM 1786 N NE . ARG AAA 1 112 NE . ARG 112 3.470 33.693 23.593 1.000 18.370 . 112 ARG AAA NE . 1 ATOM 1787 H HE . ARG AAA 1 112 HE . ARG 112 3.359 32.997 24.106 1.000 18.825 . 112 ARG AAA HE c 1 ATOM 1788 C CZ . ARG AAA 1 112 CZ . ARG 112 4.716 34.015 23.228 1.000 20.845 . 112 ARG AAA CZ . 1 ATOM 1789 N NH1 . ARG AAA 1 112 NH1 . ARG 112 4.925 35.076 22.466 1.000 21.419 . 112 ARG AAA NH1 . 1 ATOM 1790 H HH11 . ARG AAA 1 112 HH11 . ARG 112 4.254 35.566 22.189 1.000 21.059 . 112 ARG AAA HH11 c 1 ATOM 1791 H HH12 . ARG AAA 1 112 HH12 . ARG 112 5.745 35.287 22.231 1.000 21.098 . 112 ARG AAA HH12 c 1 ATOM 1792 N NH2 . ARG AAA 1 112 NH2 . ARG 112 5.754 33.311 23.639 1.000 21.361 . 112 ARG AAA NH2 . 1 ATOM 1793 H HH21 . ARG AAA 1 112 HH21 . ARG 112 5.629 32.604 24.149 1.000 21.073 . 112 ARG AAA HH21 c 1 ATOM 1794 H HH22 . ARG AAA 1 112 HH22 . ARG 112 6.567 33.538 23.388 1.000 21.073 . 112 ARG AAA HH22 c 1 ATOM 1795 C C . ARG AAA 1 112 C . ARG 112 1.823 33.387 18.910 1.000 11.417 . 112 ARG AAA C . 1 ATOM 1796 O O . ARG AAA 1 112 O . ARG 112 1.358 34.513 18.563 1.000 11.758 . 112 ARG AAA O . 1 ATOM 1798 N N . ASN AAA 1 113 N . ASN 113 2.933 32.883 18.379 1.000 11.845 . 113 ASN AAA N . 1 ATOM 1799 H H . ASN AAA 1 113 H . ASN 113 3.246 32.048 18.567 1.000 11.613 . 113 ASN AAA H c 1 ATOM 1800 C CA . ASN AAA 1 113 CA . ASN 113 3.751 33.653 17.437 1.000 11.284 . 113 ASN AAA CA . 1 ATOM 1801 H HA . ASN AAA 1 113 HA . ASN 113 3.704 34.599 17.708 1.000 11.649 . 113 ASN AAA HA c 1 ATOM 1802 C CB . ASN AAA 1 113 CB . ASN 113 5.219 33.245 17.504 1.000 12.626 . 113 ASN AAA CB . 1 ATOM 1803 H HB3 . ASN AAA 1 113 HB3 . ASN 113 5.702 33.652 16.756 1.000 12.334 . 113 ASN AAA HB3 c 1 ATOM 1804 H HB2 . ASN AAA 1 113 HB2 . ASN 113 5.286 32.272 17.420 1.000 12.336 . 113 ASN AAA HB2 c 1 ATOM 1805 C CG . ASN AAA 1 113 CG . ASN 113 5.856 33.683 18.812 1.000 12.810 . 113 ASN AAA CG . 1 ATOM 1806 O OD1 . ASN AAA 1 113 OD1 . ASN 113 5.522 34.772 19.333 1.000 13.051 . 113 ASN AAA OD1 . 1 ATOM 1807 N ND2 . ASN AAA 1 113 ND2 . ASN 113 6.792 32.876 19.337 1.000 12.099 . 113 ASN AAA ND2 . 1 ATOM 1808 H HD21 . ASN AAA 1 113 HD21 . ASN 113 7.194 33.091 20.098 0.000 12.220 . 113 ASN AAA HD21 c 1 ATOM 1809 H HD22 . ASN AAA 1 113 HD22 . ASN 113 7.017 32.124 18.924 0.000 12.220 . 113 ASN AAA HD22 c 1 ATOM 1810 C C . ASN AAA 1 113 C . ASN 113 3.303 33.572 15.995 1.000 11.335 . 113 ASN AAA C . 1 ATOM 1811 O O . ASN AAA 1 113 O . ASN 113 3.656 34.493 15.226 1.000 11.600 . 113 ASN AAA O . 1 ATOM 1813 N N . ARG AAA 1 114 N . ARG 114 2.567 32.569 15.594 1.000 11.079 . 114 ARG AAA N . 1 ATOM 1814 H H . ARG AAA 1 114 H . ARG 114 2.268 31.905 16.138 1.000 11.448 . 114 ARG AAA H c 1 ATOM 1815 C CA . ARG AAA 1 114 CA . ARG 114 2.218 32.429 14.157 1.000 12.438 . 114 ARG AAA CA . 1 ATOM 1816 H HA . ARG AAA 1 114 HA . ARG 114 2.526 33.240 13.697 1.000 11.802 . 114 ARG AAA HA c 1 ATOM 1817 C CB . ARG AAA 1 114 CB . ARG 114 2.997 31.247 13.579 1.000 11.301 . 114 ARG AAA CB . 1 ATOM 1818 H HB3 . ARG AAA 1 114 HB3 . ARG 114 2.921 31.268 12.603 1.000 11.538 . 114 ARG AAA HB3 c 1 ATOM 1819 H HB2 . ARG AAA 1 114 HB2 . ARG 114 2.590 30.415 13.898 1.000 11.538 . 114 ARG AAA HB2 c 1 ATOM 1820 C CG . ARG AAA 1 114 CG . ARG 114 4.493 31.261 13.969 1.000 11.216 . 114 ARG AAA CG . 1 ATOM 1821 H HG3 . ARG AAA 1 114 HG3 . ARG 114 4.565 31.316 14.945 1.000 11.211 . 114 ARG AAA HG3 c 1 ATOM 1822 H HG2 . ARG AAA 1 114 HG2 . ARG 114 4.907 32.070 13.599 1.000 11.211 . 114 ARG AAA HG2 c 1 ATOM 1823 C CD . ARG AAA 1 114 CD . ARG 114 5.278 30.080 13.513 1.000 11.110 . 114 ARG AAA CD . 1 ATOM 1824 H HD3 . ARG AAA 1 114 HD3 . ARG 114 4.845 29.257 13.827 1.000 11.176 . 114 ARG AAA HD3 c 1 ATOM 1825 H HD2 . ARG AAA 1 114 HD2 . ARG 114 6.179 30.119 13.897 1.000 11.175 . 114 ARG AAA HD2 c 1 ATOM 1826 N NE . ARG AAA 1 114 NE . ARG 114 5.366 30.059 12.058 1.000 11.286 . 114 ARG AAA NE . 1 ATOM 1827 H HE . ARG AAA 1 114 HE . ARG 114 4.962 30.691 11.613 1.000 11.251 . 114 ARG AAA HE c 1 ATOM 1828 C CZ . ARG AAA 1 114 CZ . ARG 114 6.148 29.219 11.376 1.000 11.253 . 114 ARG AAA CZ . 1 ATOM 1829 N NH1 . ARG AAA 1 114 NH1 . ARG 114 6.769 28.260 12.039 1.000 10.807 . 114 ARG AAA NH1 . 1 ATOM 1830 H HH11 . ARG AAA 1 114 HH11 . ARG 114 6.732 28.228 12.914 1.000 10.994 . 114 ARG AAA HH11 c 1 ATOM 1831 H HH12 . ARG AAA 1 114 HH12 . ARG 114 7.268 27.683 11.601 1.000 10.993 . 114 ARG AAA HH12 c 1 ATOM 1832 N NH2 . ARG AAA 1 114 NH2 . ARG 114 6.192 29.267 10.047 1.000 12.279 . 114 ARG AAA NH2 . 1 ATOM 1833 H HH21 . ARG AAA 1 114 HH21 . ARG 114 5.750 29.894 9.615 1.000 11.883 . 114 ARG AAA HH21 c 1 ATOM 1834 H HH22 . ARG AAA 1 114 HH22 . ARG 114 6.680 28.683 9.602 1.000 11.883 . 114 ARG AAA HH22 c 1 ATOM 1835 C C . ARG AAA 1 114 C . ARG 114 0.726 32.295 13.888 1.000 11.676 . 114 ARG AAA C . 1 ATOM 1836 O O . ARG AAA 1 114 O . ARG 114 0.318 32.418 12.727 1.000 11.086 . 114 ARG AAA O . 1 ATOM 1838 N N . CYS AAA 1 115 N . CYS 115 -0.078 32.042 14.912 1.000 11.705 . 115 CYS AAA N . 1 ATOM 1839 H H . CYS AAA 1 115 H . CYS 115 0.184 31.938 15.775 1.000 11.417 . 115 CYS AAA H c 1 ATOM 1840 C CA . CYS AAA 1 115 CA . CYS 115 -1.546 31.872 14.709 1.000 10.538 . 115 CYS AAA CA . 1 ATOM 1841 H HA . CYS AAA 1 115 HA . CYS 115 -1.728 31.909 13.742 1.000 10.967 . 115 CYS AAA HA c 1 ATOM 1842 C CB . CYS AAA 1 115 CB . CYS 115 -1.979 30.499 15.220 1.000 10.170 . 115 CYS AAA CB . 1 ATOM 1843 H HB3 . CYS AAA 1 115 HB3 . CYS 115 -2.936 30.382 15.049 1.000 10.429 . 115 CYS AAA HB3 c 1 ATOM 1844 H HB2 . CYS AAA 1 115 HB2 . CYS 115 -1.841 30.464 16.186 1.000 10.427 . 115 CYS AAA HB2 c 1 ATOM 1845 S SG . CYS AAA 1 115 SG . CYS 115 -1.088 29.109 14.465 1.000 10.908 . 115 CYS AAA SG . 1 ATOM 1846 C C . CYS AAA 1 115 C . CYS 115 -2.385 32.948 15.396 1.000 12.116 . 115 CYS AAA C . 1 ATOM 1847 O O . CYS AAA 1 115 O . CYS 115 -3.343 33.482 14.810 1.000 11.417 . 115 CYS AAA O . 1 ATOM 1849 N N . LYS AAA 1 116 N . LYS 116 -2.030 33.285 16.613 1.000 12.380 . 116 LYS AAA N . 1 ATOM 1850 H H . LYS AAA 1 116 H . LYS 116 -1.309 32.925 17.036 1.000 12.403 . 116 LYS AAA H c 1 ATOM 1851 C CA . LYS AAA 1 116 CA . LYS 116 -2.771 34.273 17.417 1.000 12.786 . 116 LYS AAA CA . 1 ATOM 1852 H HA . LYS AAA 1 116 HA . LYS 116 -3.675 33.925 17.593 1.000 12.523 . 116 LYS AAA HA c 1 ATOM 1853 C CB . LYS AAA 1 116 CB . LYS 116 -2.034 34.461 18.744 1.000 12.542 . 116 LYS AAA CB . 1 ATOM 1854 H HB3 . LYS AAA 1 116 HB3 . LYS 116 -1.167 34.879 18.563 1.000 12.638 . 116 LYS AAA HB3 c 1 ATOM 1855 H HB2 . LYS AAA 1 116 HB2 . LYS 116 -1.866 33.579 19.136 1.000 12.638 . 116 LYS AAA HB2 c 1 ATOM 1856 C CG . LYS AAA 1 116 CG . LYS 116 -2.777 35.308 19.761 1.000 12.717 . 116 LYS AAA CG . 1 ATOM 1857 H HG3 . LYS AAA 1 116 HG3 . LYS 116 -3.659 34.917 19.939 1.000 12.641 . 116 LYS AAA HG3 c 1 ATOM 1858 H HG2 . LYS AAA 1 116 HG2 . LYS 116 -2.898 36.217 19.412 1.000 12.640 . 116 LYS AAA HG2 c 1 ATOM 1859 C CD . LYS AAA 1 116 CD . LYS 116 -1.956 35.348 21.043 1.000 12.572 . 116 LYS AAA CD . 1 ATOM 1860 H HD3 . LYS AAA 1 116 HD3 . LYS 116 -1.085 35.758 20.851 1.000 12.776 . 116 LYS AAA HD3 c 1 ATOM 1861 H HD2 . LYS AAA 1 116 HD2 . LYS 116 -1.795 34.431 21.349 1.000 12.773 . 116 LYS AAA HD2 c 1 ATOM 1862 C CE . LYS AAA 1 116 CE . LYS 116 -2.617 36.114 22.143 1.000 13.310 . 116 LYS AAA CE . 1 ATOM 1863 H HE3 . LYS AAA 1 116 HE3 . LYS 116 -3.474 35.700 22.355 1.000 13.263 . 116 LYS AAA HE3 c 1 ATOM 1864 H HE2 . LYS AAA 1 116 HE2 . LYS 116 -2.789 37.028 21.846 1.000 13.263 . 116 LYS AAA HE2 c 1 ATOM 1865 N NZ . LYS AAA 1 116 NZ . LYS 116 -1.782 36.156 23.378 1.000 13.879 . 116 LYS AAA NZ . 1 ATOM 1866 H HZ1 . LYS AAA 1 116 HZ1 . LYS 116 -1.627 35.312 23.673 1.000 13.701 . 116 LYS AAA HZ1 c 1 ATOM 1867 H HZ2 . LYS AAA 1 116 HZ2 . LYS 116 -2.215 36.622 24.025 1.000 13.701 . 116 LYS AAA HZ2 c 1 ATOM 1868 H HZ3 . LYS AAA 1 116 HZ3 . LYS 116 -0.990 36.559 23.201 1.000 13.701 . 116 LYS AAA HZ3 c 1 ATOM 1869 C C . LYS AAA 1 116 C . LYS 116 -2.877 35.595 16.647 1.000 12.064 . 116 LYS AAA C . 1 ATOM 1870 O O . LYS AAA 1 116 O . LYS 116 -1.849 36.081 16.135 1.000 11.606 . 116 LYS AAA O . 1 ATOM 1872 N N . GLY AAA 1 117 N . GLY 117 -4.075 36.175 16.577 1.000 12.579 . 117 GLY AAA N . 1 ATOM 1873 H H . GLY AAA 1 117 H . GLY 117 -4.831 35.800 16.919 1.000 12.377 . 117 GLY AAA H c 1 ATOM 1874 C CA . GLY AAA 1 117 CA . GLY 117 -4.254 37.484 15.928 1.000 12.245 . 117 GLY AAA CA . 1 ATOM 1875 H HA3 . GLY AAA 1 117 HA3 . GLY 117 -3.500 38.072 16.185 1.000 12.443 . 117 GLY AAA HA3 c 1 ATOM 1876 H HA2 . GLY AAA 1 117 HA2 . GLY 117 -5.083 37.899 16.272 1.000 12.425 . 117 GLY AAA HA2 c 1 ATOM 1877 C C . GLY AAA 1 117 C . GLY 117 -4.331 37.413 14.404 1.000 12.734 . 117 GLY AAA C . 1 ATOM 1878 O O . GLY AAA 1 117 O . GLY 117 -4.278 38.454 13.752 1.000 13.277 . 117 GLY AAA O . 1 ATOM 1880 N N . THR AAA 1 118 N . THR 118 -4.436 36.223 13.833 1.000 13.038 . 118 THR AAA N . 1 ATOM 1881 H H . THR AAA 1 118 H . THR 118 -4.464 35.429 14.278 1.000 12.941 . 118 THR AAA H c 1 ATOM 1882 C CA . THR AAA 1 118 CA . THR 118 -4.533 36.084 12.382 1.000 12.945 . 118 THR AAA CA . 1 ATOM 1883 H HA . THR AAA 1 118 HA . THR 118 -4.477 36.983 11.984 1.000 13.090 . 118 THR AAA HA c 1 ATOM 1884 C CB . THR AAA 1 118 CB . THR 118 -3.381 35.237 11.819 1.000 13.335 . 118 THR AAA CB . 1 ATOM 1885 H HB . THR AAA 1 118 HB . THR 118 -3.350 35.367 10.841 1.000 13.350 . 118 THR AAA HB c 1 ATOM 1886 O OG1 . THR AAA 1 118 OG1 . THR 118 -3.607 33.858 12.093 1.000 12.718 . 118 THR AAA OG1 . 1 ATOM 1887 H HG1 . THR AAA 1 118 HG1 . THR 118 -2.966 33.398 11.778 0.000 12.740 . 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 14.481 . 118 THR AAA CG2 . 1 ATOM 1889 H HG21 . THR AAA 1 118 HG21 . THR 118 -1.875 36.568 12.259 1.000 14.118 . 118 THR AAA HG21 c 1 ATOM 1890 H HG22 . THR AAA 1 118 HG22 . THR 118 -1.334 35.101 11.968 1.000 14.118 . 118 THR AAA HG22 c 1 ATOM 1891 H HG23 . THR AAA 1 118 HG23 . THR 118 -2.029 35.430 13.359 1.000 14.116 . 118 THR AAA HG23 c 1 ATOM 1892 C C . THR AAA 1 118 C . THR 118 -5.860 35.467 11.972 1.000 13.229 . 118 THR AAA C . 1 ATOM 1893 O O . THR AAA 1 118 O . THR 118 -6.663 35.090 12.820 1.000 12.987 . 118 THR AAA O . 1 ATOM 1895 N N . ASP AAA 1 119 N . ASP 119 -6.064 35.439 10.657 1.000 13.874 . 119 ASP AAA N . 1 ATOM 1896 H H . ASP AAA 1 119 H . ASP 119 -5.488 35.812 10.057 1.000 13.657 . 119 ASP AAA H c 1 ATOM 1897 C CA . ASP AAA 1 119 CA . ASP 119 -7.245 34.815 10.053 1.000 13.603 . 119 ASP AAA CA . 1 ATOM 1898 H HA . ASP AAA 1 119 HA . ASP 119 -8.056 35.074 10.550 1.000 13.846 . 119 ASP AAA HA c 1 ATOM 1899 C CB . ASP AAA 1 119 CB . ASP 119 -7.367 35.207 8.583 1.000 14.517 . 119 ASP AAA CB . 1 ATOM 1900 H HB3 . ASP AAA 1 119 HB3 . ASP 119 -6.544 34.969 8.109 1.000 14.400 . 119 ASP AAA HB3 c 1 ATOM 1901 H HB2 . ASP AAA 1 119 HB2 . ASP 119 -7.491 36.176 8.517 1.000 14.401 . 119 ASP AAA HB2 c 1 ATOM 1902 C CG . ASP AAA 1 119 CG . ASP 119 -8.542 34.519 7.905 1.000 14.977 . 119 ASP AAA CG . 1 ATOM 1903 O OD1 . ASP AAA 1 119 OD1 . ASP 119 -9.058 33.520 8.459 1.000 15.655 . 119 ASP AAA OD1 . 1 ATOM 1904 O OD2 . ASP AAA 1 119 OD2 . ASP 119 -8.939 34.980 6.815 1.000 16.205 . 119 ASP AAA OD2 . 1 ATOM 1905 C C . ASP AAA 1 119 C . ASP 119 -7.015 33.312 10.160 1.000 13.724 . 119 ASP AAA C . 1 ATOM 1906 O O . ASP AAA 1 119 O . ASP 119 -6.380 32.728 9.270 1.000 14.362 . 119 ASP AAA O . 1 ATOM 1908 N N . VAL AAA 1 120 N . VAL 120 -7.449 32.697 11.258 1.000 14.799 . 120 VAL AAA N . 1 ATOM 1909 H H . VAL AAA 1 120 H . VAL 120 -7.876 33.134 11.930 1.000 14.224 . 120 VAL AAA H c 1 ATOM 1910 C CA . VAL AAA 1 120 CA . VAL 120 -7.269 31.229 11.485 1.000 13.522 . 120 VAL AAA CA . 1 ATOM 1911 H HA . VAL AAA 1 120 HA . VAL 120 -6.385 30.991 11.159 1.000 13.663 . 120 VAL AAA HA c 1 ATOM 1912 C CB . VAL AAA 1 120 CB . VAL 120 -7.317 30.892 12.991 1.000 13.017 . 120 VAL AAA CB . 1 ATOM 1913 H HB . VAL AAA 1 120 HB . VAL 120 -7.285 29.909 13.091 1.000 13.267 . 120 VAL AAA HB c 1 ATOM 1914 C CG1 . VAL AAA 1 120 CG1 . VAL 120 -6.114 31.490 13.696 1.000 13.156 . 120 VAL AAA CG1 . 1 ATOM 1915 H HG11 . VAL AAA 1 120 HG11 . VAL 120 -5.298 31.140 13.299 1.000 13.112 . 120 VAL AAA HG11 c 1 ATOM 1916 H HG12 . VAL AAA 1 120 HG12 . VAL 120 -6.141 31.256 14.639 1.000 13.107 . 120 VAL AAA HG12 c 1 ATOM 1917 H HG13 . VAL AAA 1 120 HG13 . VAL 120 -6.130 32.458 13.602 1.000 13.114 . 120 VAL AAA HG13 c 1 ATOM 1918 C CG2 . VAL AAA 1 120 CG2 . VAL 120 -8.583 31.406 13.646 1.000 13.736 . 120 VAL AAA CG2 . 1 ATOM 1919 H HG21 . VAL AAA 1 120 HG21 . VAL 120 -8.571 32.379 13.667 1.000 13.514 . 120 VAL AAA HG21 c 1 ATOM 1920 H HG22 . VAL AAA 1 120 HG22 . VAL 120 -8.636 31.066 14.557 1.000 13.506 . 120 VAL AAA HG22 c 1 ATOM 1921 H HG23 . VAL AAA 1 120 HG23 . VAL 120 -9.359 31.102 13.143 1.000 13.510 . 120 VAL AAA HG23 c 1 ATOM 1922 C C . VAL AAA 1 120 C . VAL 120 -8.289 30.402 10.709 1.000 13.538 . 120 VAL AAA C . 1 ATOM 1923 O O . VAL AAA 1 120 O . VAL 120 -8.040 29.234 10.464 1.000 12.954 . 120 VAL AAA O . 1 ATOM 1925 N N . GLN AAA 1 121 N . GLN 121 -9.415 30.984 10.345 1.000 13.898 . 121 GLN AAA N . 1 ATOM 1926 H H . GLN AAA 1 121 H . GLN 121 -9.606 31.855 10.528 1.000 13.859 . 121 GLN AAA H c 1 ATOM 1927 C CA . GLN AAA 1 121 CA . GLN 121 -10.471 30.276 9.616 1.000 14.073 . 121 GLN AAA CA . 1 ATOM 1928 H HA . GLN AAA 1 121 HA . GLN 121 -10.743 29.489 10.137 1.000 14.033 . 121 GLN AAA HA c 1 ATOM 1929 C CB . GLN AAA 1 121 CB . GLN 121 -11.682 31.167 9.378 1.000 14.518 . 121 GLN AAA CB . 1 ATOM 1930 H HB3 . GLN AAA 1 121 HB3 . GLN 121 -11.432 31.875 8.749 1.000 14.307 . 121 GLN AAA HB3 c 1 ATOM 1931 H HB2 . GLN AAA 1 121 HB2 . GLN 121 -11.927 31.592 10.226 1.000 14.308 . 121 GLN AAA HB2 c 1 ATOM 1932 C CG . GLN AAA 1 121 CG . GLN 121 -12.901 30.397 8.828 1.000 14.081 . 121 GLN AAA CG . 1 ATOM 1933 H HG3 . GLN AAA 1 121 HG3 . GLN 121 -13.718 30.886 9.061 1.000 14.215 . 121 GLN AAA HG3 c 1 ATOM 1934 H HG2 . GLN AAA 1 121 HG2 . GLN 121 -12.946 29.519 9.263 1.000 14.215 . 121 GLN AAA HG2 c 1 ATOM 1935 C CD . GLN AAA 1 121 CD . GLN 121 -12.864 30.197 7.321 1.000 14.217 . 121 GLN AAA CD . 1 ATOM 1936 O OE1 . GLN AAA 1 121 OE1 . GLN 121 -12.170 30.951 6.612 1.000 14.271 . 121 GLN AAA OE1 . 1 ATOM 1937 N NE2 . GLN AAA 1 121 NE2 . GLN 121 -13.600 29.208 6.834 1.000 15.453 . 121 GLN AAA NE2 . 1 ATOM 1938 H HE21 . GLN AAA 1 121 HE21 . GLN 121 -13.612 29.054 5.956 0.000 15.640 . 121 GLN AAA HE21 c 1 ATOM 1939 H HE22 . GLN AAA 1 121 HE22 . GLN 121 -14.079 28.698 7.370 0.000 15.640 . 121 GLN AAA HE22 c 1 ATOM 1940 C C . GLN AAA 1 121 C . GLN 121 -9.872 29.808 8.280 1.000 13.597 . 121 GLN AAA C . 1 ATOM 1941 O O . GLN AAA 1 121 O . GLN 121 -10.316 28.838 7.716 1.000 13.000 . 121 GLN AAA O . 1 ATOM 1943 N N . ALA AAA 1 122 N . ALA 122 -8.900 30.547 7.770 1.000 13.822 . 122 ALA AAA N . 1 ATOM 1944 H H . ALA AAA 1 122 H . ALA 122 -8.591 31.323 8.131 1.000 13.608 . 122 ALA AAA H c 1 ATOM 1945 C CA . ALA AAA 1 122 CA . ALA 122 -8.239 30.193 6.500 1.000 13.161 . 122 ALA AAA CA . 1 ATOM 1946 H HA . ALA AAA 1 122 HA . ALA 122 -8.897 30.258 5.771 1.000 13.289 . 122 ALA AAA HA c 1 ATOM 1947 C CB . ALA AAA 1 122 CB . ALA 122 -7.113 31.153 6.237 1.000 12.886 . 122 ALA AAA CB . 1 ATOM 1948 H HB3 . ALA AAA 1 122 HB3 . ALA 122 -6.471 31.109 6.965 1.000 12.970 . 122 ALA AAA HB3 c 1 ATOM 1949 H HB2 . ALA AAA 1 122 HB2 . ALA 122 -7.465 32.057 6.170 1.000 12.971 . 122 ALA AAA HB2 c 1 ATOM 1950 H HB1 . ALA AAA 1 122 HB1 . ALA 122 -6.672 30.916 5.404 1.000 12.970 . 122 ALA AAA HB1 c 1 ATOM 1951 C C . ALA AAA 1 122 C . ALA 122 -7.705 28.757 6.553 1.000 13.397 . 122 ALA AAA C . 1 ATOM 1952 O O . ALA AAA 1 122 O . ALA 122 -7.623 28.101 5.514 1.000 13.599 . 122 ALA AAA O . 1 ATOM 1954 N N . TRP AAA 1 123 N . TRP 123 -7.338 28.245 7.737 1.000 12.902 . 123 TRP AAA N . 1 ATOM 1955 H H . TRP AAA 1 123 H . TRP 123 -7.409 28.698 8.523 1.000 13.310 . 123 TRP AAA H c 1 ATOM 1956 C CA . TRP AAA 1 123 CA . TRP 123 -6.757 26.893 7.877 1.000 14.139 . 123 TRP AAA CA . 1 ATOM 1957 H HA . TRP AAA 1 123 HA . TRP 123 -6.046 26.805 7.200 1.000 14.057 . 123 TRP AAA HA c 1 ATOM 1958 C CB . TRP AAA 1 123 CB . TRP 123 -6.100 26.762 9.258 1.000 14.109 . 123 TRP AAA CB . 1 ATOM 1959 H HB3 . TRP AAA 1 123 HB3 . TRP 123 -5.843 25.828 9.396 1.000 14.103 . 123 TRP AAA HB3 c 1 ATOM 1960 H HB2 . TRP AAA 1 123 HB2 . TRP 123 -6.754 27.004 9.944 1.000 14.098 . 123 TRP AAA HB2 c 1 ATOM 1961 C CG . TRP AAA 1 123 CG . TRP 123 -4.894 27.636 9.384 1.000 14.051 . 123 TRP AAA CG . 1 ATOM 1962 C CD1 . TRP AAA 1 123 CD1 . TRP 123 -4.854 28.933 9.795 1.000 14.241 . 123 TRP AAA CD1 . 1 ATOM 1963 H HD1 . TRP AAA 1 123 HD1 . TRP 123 -5.592 29.428 10.101 1.000 14.410 . 123 TRP AAA HD1 c 1 ATOM 1964 N NE1 . TRP AAA 1 123 NE1 . TRP 123 -3.593 29.412 9.704 1.000 14.875 . 123 TRP AAA NE1 . 1 ATOM 1965 H HE1 . TRP AAA 1 123 HE1 . TRP 123 -3.346 30.213 9.935 1.000 14.517 . 123 TRP AAA HE1 c 1 ATOM 1966 C CE2 . TRP AAA 1 123 CE2 . TRP 123 -2.766 28.439 9.211 1.000 13.677 . 123 TRP AAA CE2 . 1 ATOM 1967 C CD2 . TRP AAA 1 123 CD2 . TRP 123 -3.558 27.306 8.980 1.000 14.596 . 123 TRP AAA CD2 . 1 ATOM 1968 C CE3 . TRP AAA 1 123 CE3 . TRP 123 -2.948 26.139 8.491 1.000 13.863 . 123 TRP AAA CE3 . 1 ATOM 1969 H HE3 . TRP AAA 1 123 HE3 . TRP 123 -3.464 25.371 8.303 1.000 14.601 . 123 TRP AAA HE3 c 1 ATOM 1970 C CZ3 . TRP AAA 1 123 CZ3 . TRP 123 -1.591 26.166 8.200 1.000 16.235 . 123 TRP AAA CZ3 . 1 ATOM 1971 H HZ3 . TRP AAA 1 123 HZ3 . TRP 123 -1.173 25.391 7.863 1.000 15.510 . 123 TRP AAA HZ3 c 1 ATOM 1972 C CH2 . TRP AAA 1 123 CH2 . TRP 123 -0.822 27.313 8.457 1.000 16.207 . 123 TRP AAA CH2 . 1 ATOM 1973 H HH2 . TRP AAA 1 123 HH2 . TRP 123 0.100 27.303 8.269 1.000 15.945 . 123 TRP AAA HH2 c 1 ATOM 1974 C CZ2 . TRP AAA 1 123 CZ2 . TRP 123 -1.393 28.462 8.944 1.000 15.973 . 123 TRP AAA CZ2 . 1 ATOM 1975 H HZ2 . TRP AAA 1 123 HZ2 . TRP 123 -0.877 29.230 9.118 1.000 15.368 . 123 TRP AAA HZ2 c 1 ATOM 1976 C C . TRP AAA 1 123 C . TRP 123 -7.799 25.785 7.632 1.000 15.075 . 123 TRP AAA C . 1 ATOM 1977 O O . TRP AAA 1 123 O . TRP 123 -7.407 24.623 7.407 1.000 15.668 . 123 TRP AAA O . 1 ATOM 1979 N N . ILE AAA 1 124 N . ILE 124 -9.095 26.092 7.724 1.000 15.626 . 124 ILE AAA N . 1 ATOM 1980 H H . ILE AAA 1 124 H . ILE 124 -9.413 26.914 7.948 1.000 15.541 . 124 ILE AAA H c 1 ATOM 1981 C CA . ILE AAA 1 124 CA . ILE 124 -10.132 25.054 7.474 1.000 15.838 . 124 ILE AAA CA . 1 ATOM 1982 H HA . ILE AAA 1 124 HA . ILE 124 -9.683 24.200 7.342 1.000 15.904 . 124 ILE AAA HA c 1 ATOM 1983 C CB . ILE AAA 1 124 CB . ILE 124 -11.067 24.906 8.673 1.000 15.865 . 124 ILE AAA CB . 1 ATOM 1984 H HB . ILE AAA 1 124 HB . ILE 124 -11.746 24.229 8.435 1.000 16.159 . 124 ILE AAA HB c 1 ATOM 1985 C CG1 . ILE AAA 1 124 CG1 . ILE 124 -11.807 26.208 8.962 1.000 16.361 . 124 ILE AAA CG1 . 1 ATOM 1986 H HG12 . ILE AAA 1 124 HG12 . ILE 124 -12.187 26.553 8.127 1.000 16.288 . 124 ILE AAA HG12 c 1 ATOM 1987 H HG13 . ILE AAA 1 124 HG13 . ILE 124 -11.166 26.868 9.299 1.000 16.280 . 124 ILE AAA HG13 c 1 ATOM 1988 C CG2 . ILE AAA 1 124 CG2 . ILE 124 -10.292 24.373 9.881 1.000 16.977 . 124 ILE AAA CG2 . 1 ATOM 1989 H HG21 . ILE AAA 1 124 HG21 . ILE 124 -9.847 23.541 9.641 1.000 16.626 . 124 ILE AAA HG21 c 1 ATOM 1990 H HG22 . ILE AAA 1 124 HG22 . ILE 124 -10.906 24.208 10.618 1.000 16.626 . 124 ILE AAA HG22 c 1 ATOM 1991 C CD1 . ILE AAA 1 124 CD1 . ILE 124 -12.902 26.057 9.959 1.000 16.564 . 124 ILE AAA CD1 . 1 ATOM 1992 H HD11 . ILE AAA 1 124 HD11 . ILE 124 -13.520 25.366 9.662 1.000 16.501 . 124 ILE AAA HD11 c 1 ATOM 1993 H HD12 . ILE AAA 1 124 HD12 . ILE 124 -13.379 26.901 10.047 1.000 16.501 . 124 ILE AAA HD12 c 1 ATOM 1994 H HD13 . ILE AAA 1 124 HD13 . ILE 124 -12.527 25.807 10.821 1.000 16.502 . 124 ILE AAA HD13 c 1 ATOM 1995 H HG23 . ILE AAA 1 124 HG23 . ILE 124 -9.626 25.027 10.156 1.000 16.625 . 124 ILE AAA HG23 c 1 ATOM 1996 C C . ILE AAA 1 124 C . ILE 124 -10.897 25.382 6.200 1.000 16.392 . 124 ILE AAA C . 1 ATOM 1997 O O . ILE AAA 1 124 O . ILE 124 -11.838 24.669 5.882 1.000 15.581 . 124 ILE AAA O . 1 ATOM 1999 N N . ARG AAA 1 125 N . ARG 125 -10.513 26.447 5.524 1.000 17.349 . 125 ARG AAA N . 1 ATOM 2000 H H . ARG AAA 1 125 H . ARG 125 -9.792 26.947 5.760 1.000 17.239 . 125 ARG AAA H c 1 ATOM 2001 C CA . ARG AAA 1 125 CA . ARG 125 -11.191 26.920 4.302 1.000 17.938 . 125 ARG AAA CA . 1 ATOM 2002 H HA . ARG AAA 1 125 HA . ARG 125 -12.132 27.108 4.526 1.000 17.690 . 125 ARG AAA HA c 1 ATOM 2003 C CB . ARG AAA 1 125 CB . ARG 125 -10.539 28.205 3.816 1.000 18.686 . 125 ARG AAA CB . 1 ATOM 2004 H HB3 . ARG AAA 1 125 HB3 . ARG 125 -9.667 27.984 3.427 1.000 18.454 . 125 ARG AAA HB3 c 1 ATOM 2005 H HB2 . ARG AAA 1 125 HB2 . ARG 125 -10.384 28.786 4.589 1.000 18.470 . 125 ARG AAA HB2 c 1 ATOM 2006 C CG . ARG AAA 1 125 CG . ARG 125 -11.356 28.970 2.782 1.000 18.463 . 125 ARG AAA CG . 1 ATOM 2007 H HG3 . ARG AAA 1 125 HG3 . ARG 125 -12.290 29.029 3.076 1.000 18.972 . 125 ARG AAA HG3 c 1 ATOM 2008 H HG2 . ARG AAA 1 125 HG2 . ARG 125 -11.330 28.496 1.924 1.000 18.966 . 125 ARG AAA HG2 c 1 ATOM 2009 C CD . ARG AAA 1 125 CD . ARG 125 -10.794 30.368 2.603 1.000 20.446 . 125 ARG AAA CD . 1 ATOM 2010 H HD3 . ARG AAA 1 125 HD3 . ARG 125 -11.299 30.844 1.910 1.000 20.407 . 125 ARG AAA HD3 c 1 ATOM 2011 H HD2 . ARG AAA 1 125 HD2 . ARG 125 -9.856 30.312 2.324 1.000 20.414 . 125 ARG AAA HD2 c 1 ATOM 2012 N NE . ARG AAA 1 125 NE . ARG 125 -10.896 31.083 3.872 1.000 22.454 . 125 ARG AAA NE . 1 ATOM 2013 H HE . ARG AAA 1 125 HE . ARG 125 -11.533 30.841 4.417 1.000 22.117 . 125 ARG AAA HE c 1 ATOM 2014 C CZ . ARG AAA 1 125 CZ . ARG 125 -10.154 32.130 4.234 1.000 23.174 . 125 ARG AAA CZ . 1 ATOM 2015 N NH1 . ARG AAA 1 125 NH1 . ARG 125 -9.150 32.559 3.487 1.000 21.988 . 125 ARG AAA NH1 . 1 ATOM 2016 H HH11 . ARG AAA 1 125 HH11 . ARG 125 -9.001 32.203 2.699 1.000 22.332 . 125 ARG AAA HH11 c 1 ATOM 2017 H HH12 . ARG AAA 1 125 HH12 . ARG 125 -8.664 33.240 3.758 1.000 22.337 . 125 ARG AAA HH12 c 1 ATOM 2018 N NH2 . ARG AAA 1 125 NH2 . ARG 125 -10.341 32.681 5.416 1.000 22.847 . 125 ARG AAA NH2 . 1 ATOM 2019 H HH21 . ARG AAA 1 125 HH21 . ARG 125 -10.988 32.392 5.938 1.000 22.862 . 125 ARG AAA HH21 c 1 ATOM 2020 H HH22 . ARG AAA 1 125 HH22 . ARG 125 -9.837 33.356 5.671 1.000 22.847 . 125 ARG AAA HH22 c 1 ATOM 2021 C C . ARG AAA 1 125 C . ARG 125 -11.150 25.800 3.264 1.000 16.566 . 125 ARG AAA C . 1 ATOM 2022 O O . ARG AAA 1 125 O . ARG 125 -10.111 25.174 3.048 1.000 17.054 . 125 ARG AAA O . 1 ATOM 2024 N N . GLY AAA 1 126 N . GLY 126 -12.265 25.587 2.596 1.000 16.965 . 126 GLY AAA N . 1 ATOM 2025 H H . GLY AAA 1 126 H . GLY 126 -13.034 26.047 2.762 1.000 16.961 . 126 GLY AAA H c 1 ATOM 2026 C CA . GLY AAA 1 126 CA . GLY 126 -12.366 24.591 1.523 1.000 17.336 . 126 GLY AAA CA . 1 ATOM 2027 H HA3 . GLY AAA 1 126 HA3 . GLY 126 -11.507 24.561 1.032 1.000 17.386 . 126 GLY AAA HA3 c 1 ATOM 2028 H HA2 . GLY AAA 1 126 HA2 . GLY 126 -13.063 24.884 0.887 1.000 17.388 . 126 GLY AAA HA2 c 1 ATOM 2029 C C . GLY AAA 1 126 C . GLY 126 -12.701 23.208 2.012 1.000 17.947 . 126 GLY AAA C . 1 ATOM 2030 O O . GLY AAA 1 126 O . GLY 126 -13.066 22.364 1.170 1.000 19.632 . 126 GLY AAA O . 1 ATOM 2032 N N . CYS AAA 1 127 N . CYS 127 -12.581 22.939 3.312 1.000 19.184 . 127 CYS AAA N . 1 ATOM 2033 H H . CYS AAA 1 127 H . CYS 127 -12.364 23.558 3.941 1.000 18.933 . 127 CYS AAA H c 1 ATOM 2034 C CA . CYS AAA 1 127 CA . CYS 127 -12.807 21.595 3.893 1.000 19.436 . 127 CYS AAA CA . 1 ATOM 2035 H HA . CYS AAA 1 127 HA . CYS 127 -12.412 20.926 3.289 1.000 19.390 . 127 CYS AAA HA c 1 ATOM 2036 C CB . CYS AAA 1 127 CB . CYS 127 -12.130 21.487 5.257 1.000 19.228 . 127 CYS AAA CB . 1 ATOM 2037 H HB3 . CYS AAA 1 127 HB3 . CYS 127 -12.288 20.589 5.614 1.000 18.982 . 127 CYS AAA HB3 c 1 ATOM 2038 H HB2 . CYS AAA 1 127 HB2 . CYS 127 -12.552 22.124 5.869 1.000 18.968 . 127 CYS AAA HB2 c 1 ATOM 2039 S SG . CYS AAA 1 127 SG . CYS 127 -10.333 21.792 5.271 1.000 17.972 . 127 CYS AAA SG . 1 ATOM 2040 C C . CYS AAA 1 127 C . CYS 127 -14.319 21.324 4.012 1.000 19.692 . 127 CYS AAA C . 1 ATOM 2041 O O . CYS AAA 1 127 O . CYS 127 -15.078 22.252 4.331 1.000 20.176 . 127 CYS AAA O . 1 ATOM 2043 N N . ARG AAA 1 128 N . ARG 128 -14.725 20.083 3.824 1.000 19.888 . 128 ARG AAA N . 1 ATOM 2044 H H . ARG AAA 1 128 H . ARG 128 -14.158 19.418 3.567 1.000 20.024 . 128 ARG AAA H c 1 ATOM 2045 C CA . ARG AAA 1 128 CA . ARG 128 -16.123 19.632 4.009 1.000 20.693 . 128 ARG AAA CA . 1 ATOM 2046 H HA . ARG AAA 1 128 HA . ARG 128 -16.732 20.397 3.897 1.000 20.396 . 128 ARG AAA HA c 1 ATOM 2047 C CB . ARG AAA 1 128 CB . ARG 128 -16.522 18.510 3.043 1.000 20.068 . 128 ARG AAA CB . 1 ATOM 2048 H HB3 . ARG AAA 1 128 HB3 . ARG 128 -17.334 18.083 3.388 1.000 19.934 . 128 ARG AAA HB3 c 1 ATOM 2049 H HB2 . ARG AAA 1 128 HB2 . ARG 128 -15.811 17.836 3.048 1.000 19.931 . 128 ARG AAA HB2 c 1 ATOM 2050 C CG . ARG AAA 1 128 CG . ARG 128 -16.774 18.926 1.614 1.000 18.887 . 128 ARG AAA CG . 1 ATOM 2051 H HG3 . ARG AAA 1 128 HG3 . ARG 128 -16.001 19.424 1.274 1.000 19.268 . 128 ARG AAA HG3 c 1 ATOM 2052 H HG2 . ARG AAA 1 128 HG2 . ARG 128 -17.563 19.509 1.571 1.000 19.266 . 128 ARG AAA HG2 c 1 ATOM 2053 C CD . ARG AAA 1 128 CD . ARG 128 -17.004 17.698 0.756 1.000 19.350 . 128 ARG AAA CD . 1 ATOM 2054 H HD3 . ARG AAA 1 128 HD3 . ARG 128 -16.416 16.976 1.062 1.000 19.217 . 128 ARG AAA HD3 c 1 ATOM 2055 H HD2 . ARG AAA 1 128 HD2 . ARG 128 -16.764 17.902 -0.171 1.000 19.212 . 128 ARG AAA HD2 c 1 ATOM 2056 N NE . ARG AAA 1 128 NE . ARG 128 -18.405 17.237 0.813 1.000 19.239 . 128 ARG AAA NE . 1 ATOM 2057 H HE . ARG AAA 1 128 HE . ARG 128 -18.580 16.540 1.306 1.000 18.912 . 128 ARG AAA HE c 1 ATOM 2058 C CZ . ARG AAA 1 128 CZ . ARG 128 -19.424 17.792 0.154 1.000 17.915 . 128 ARG AAA CZ . 1 ATOM 2059 N NH1 . ARG AAA 1 128 NH1 . ARG 128 -19.191 18.840 -0.625 1.000 18.647 . 128 ARG AAA NH1 . 1 ATOM 2060 H HH11 . ARG AAA 1 128 HH11 . ARG 128 -18.383 19.173 -0.694 1.000 18.446 . 128 ARG AAA HH11 c 1 ATOM 2061 H HH12 . ARG AAA 1 128 HH12 . ARG 128 -19.855 19.211 -1.065 1.000 18.443 . 128 ARG AAA HH12 c 1 ATOM 2062 N NH2 . ARG AAA 1 128 NH2 . ARG 128 -20.657 17.271 0.249 1.000 18.360 . 128 ARG AAA NH2 . 1 ATOM 2063 H HH21 . ARG AAA 1 128 HH21 . ARG 128 -20.799 16.575 0.760 1.000 18.269 . 128 ARG AAA HH21 c 1 ATOM 2064 H HH22 . ARG AAA 1 128 HH22 . ARG 128 -21.325 17.643 -0.188 1.000 18.269 . 128 ARG AAA HH22 c 1 ATOM 2065 C C . ARG AAA 1 128 C . ARG 128 -16.182 19.140 5.445 1.000 20.577 . 128 ARG AAA C . 1 ATOM 2066 O O . ARG AAA 1 128 O . ARG 128 -15.893 17.965 5.677 1.000 23.094 . 128 ARG AAA O . 1 ATOM 2068 N N . LEU AAA 1 129 N . LEU 129 -16.464 20.022 6.375 1.000 21.361 . 129 LEU AAA N . 1 ATOM 2069 H H . LEU AAA 1 129 H . LEU 129 -16.666 20.892 6.198 1.000 21.413 . 129 LEU AAA H c 1 ATOM 2070 C CA . LEU AAA 1 129 CA . LEU 129 -16.473 19.664 7.801 1.000 22.425 . 129 LEU AAA CA . 1 ATOM 2071 H HA . LEU AAA 1 129 HA . LEU 129 -16.152 18.739 7.899 1.000 22.556 . 129 LEU AAA HA c 1 ATOM 2072 C CB . LEU AAA 1 129 CB . LEU 129 -15.542 20.608 8.549 1.000 23.928 . 129 LEU AAA CB . 1 ATOM 2073 H HB3 . LEU AAA 1 129 HB3 . LEU 129 -15.608 20.415 9.506 1.000 23.453 . 129 LEU AAA HB3 c 1 ATOM 2074 H HB2 . LEU AAA 1 129 HB2 . LEU 129 -15.854 21.525 8.409 1.000 23.455 . 129 LEU AAA HB2 c 1 ATOM 2075 C CG . LEU AAA 1 129 CG . LEU 129 -14.084 20.523 8.137 1.000 23.450 . 129 LEU AAA CG . 1 ATOM 2076 H HG . LEU AAA 1 129 HG . LEU 129 -14.027 20.642 7.158 1.000 23.710 . 129 LEU AAA HG c 1 ATOM 2077 C CD1 . LEU AAA 1 129 CD1 . LEU 129 -13.331 21.633 8.795 1.000 23.752 . 129 LEU AAA CD1 . 1 ATOM 2078 H HD11 . LEU AAA 1 129 HD11 . LEU 129 -13.682 22.488 8.492 1.000 23.632 . 129 LEU AAA HD11 c 1 ATOM 2079 H HD12 . LEU AAA 1 129 HD12 . LEU 129 -12.388 21.569 8.562 1.000 23.632 . 129 LEU AAA HD12 c 1 ATOM 2080 H HD13 . LEU AAA 1 129 HD13 . LEU 129 -13.432 21.565 9.759 1.000 23.548 . 129 LEU AAA HD13 c 1 ATOM 2081 C CD2 . LEU AAA 1 129 CD2 . LEU 129 -13.462 19.170 8.499 1.000 24.173 . 129 LEU AAA CD2 . 1 ATOM 2082 H HD21 . LEU AAA 1 129 HD21 . LEU 129 -13.571 19.008 9.453 1.000 23.902 . 129 LEU AAA HD21 c 1 ATOM 2083 H HD22 . LEU AAA 1 129 HD22 . LEU 129 -12.514 19.180 8.279 1.000 23.936 . 129 LEU AAA HD22 c 1 ATOM 2084 H HD23 . LEU AAA 1 129 HD23 . LEU 129 -13.903 18.463 7.998 1.000 23.931 . 129 LEU AAA HD23 c 1 ATOM 2085 C C . LEU AAA 1 129 C . LEU 129 -17.887 19.750 8.350 1.000 22.730 . 129 LEU AAA C . 1 ATOM 2086 O O . LEU AAA 1 129 O . LEU 129 -18.253 18.761 9.022 1.000 22.846 . 129 LEU AAA O . 1 ATOM 2087 O OXT . LEU AAA 1 129 OXT . LEU 129 -18.583 20.790 8.135 1.000 23.632 . 129 LEU AAA OXT . 1 HETATM 2088 N N1 . DO3 AaA 2 . N1 . DO3 284 2.464 24.946 34.480 0.810 19.088 . 284 DO3 AaA N1 . 1 HETATM 2089 N N2 . DO3 AaA 2 . N2 . DO3 284 3.672 25.195 37.029 0.810 17.143 . 284 DO3 AaA N2 . 1 HETATM 2090 N N3 . DO3 AaA 2 . N3 . DO3 284 2.671 22.545 37.884 0.810 18.122 . 284 DO3 AaA N3 . 1 HETATM 2091 N N4 . DO3 AaA 2 . N4 . DO3 284 1.301 22.358 35.326 0.810 19.497 . 284 DO3 AaA N4 . 1 HETATM 2092 O O1 . DO3 AaA 2 . O1 . DO3 284 0.623 26.569 35.965 0.810 22.124 . 284 DO3 AaA O1 . 1 HETATM 2093 O O3 . DO3 AaA 2 . O3 . DO3 284 1.536 25.846 38.613 0.810 14.827 . 284 DO3 AaA O3 . 1 HETATM 2094 O O5 . DO3 AaA 2 . O5 . DO3 284 -0.031 22.938 38.522 0.810 19.068 . 284 DO3 AaA O5 . 1 HETATM 2095 O O7 . DO3 AaA 2 . O7 . DO3 284 -0.807 24.051 35.671 0.810 17.355 . 284 DO3 AaA O7 . 1 HETATM 2096 C C1 . DO3 AaA 2 . C1 . DO3 284 3.745 25.650 34.578 0.810 18.732 . 284 DO3 AaA C1 . 1 HETATM 2097 C C2 . DO3 AaA 2 . C2 . DO3 284 4.497 25.279 35.792 0.810 17.943 . 284 DO3 AaA C2 . 1 HETATM 2098 C C3 . DO3 AaA 2 . C3 . DO3 284 4.408 24.315 37.937 0.810 18.339 . 284 DO3 AaA C3 . 1 HETATM 2099 C C4 . DO3 AaA 2 . C4 . DO3 284 4.096 22.864 37.860 0.810 18.303 . 284 DO3 AaA C4 . 1 HETATM 2100 C C5 . DO3 AaA 2 . C5 . DO3 284 2.438 21.267 37.200 0.810 19.467 . 284 DO3 AaA C5 . 1 HETATM 2101 C C6 . DO3 AaA 2 . C6 . DO3 284 2.193 21.309 35.738 0.810 19.714 . 284 DO3 AaA C6 . 1 HETATM 2102 C C7 . DO3 AaA 2 . C7 . DO3 284 1.635 22.634 33.946 0.810 19.141 . 284 DO3 AaA C7 . 1 HETATM 2103 C C8 . DO3 AaA 2 . C8 . DO3 284 2.650 23.717 33.722 0.810 19.430 . 284 DO3 AaA C8 . 1 HETATM 2104 C C9 . DO3 AaA 2 . C9 . DO3 284 0.869 26.887 34.793 0.810 20.166 . 284 DO3 AaA C9 . 1 HETATM 2105 C C10 . DO3 AaA 2 . C10 . DO3 284 1.415 25.800 33.898 0.810 21.086 . 284 DO3 AaA C10 . 1 HETATM 2106 C C11 . DO3 AaA 2 . C11 . DO3 284 2.468 26.674 38.666 0.810 15.854 . 284 DO3 AaA C11 . 1 HETATM 2107 C C12 . DO3 AaA 2 . C12 . DO3 284 3.529 26.561 37.603 0.810 17.780 . 284 DO3 AaA C12 . 1 HETATM 2108 C C13 . DO3 AaA 2 . C13 . DO3 284 0.659 22.504 39.419 0.810 19.106 . 284 DO3 AaA C13 . 1 HETATM 2109 C C14 . DO3 AaA 2 . C14 . DO3 284 2.155 22.472 39.231 0.810 18.310 . 284 DO3 AaA C14 . 1 HETATM 2110 C C15 . DO3 AaA 2 . C15 . DO3 284 -1.151 22.813 35.133 0.810 19.128 . 284 DO3 AaA C15 . 1 HETATM 2111 C C16 . DO3 AaA 2 . C16 . DO3 284 -0.063 21.841 35.462 0.810 20.260 . 284 DO3 AaA C16 . 1 HETATM 2112 C C17 . DO3 AaA 2 . C17 . DO3 284 -2.475 22.416 35.711 0.810 20.461 . 284 DO3 AaA C17 . 1 HETATM 2113 O O2 . DO3 AaA 2 . O2 . DO3 284 0.664 27.992 34.288 0.810 22.944 . 284 DO3 AaA O2 . 1 HETATM 2114 O O4 . DO3 AaA 2 . O4 . DO3 284 2.634 27.529 39.534 0.810 15.255 . 284 DO3 AaA O4 . 1 HETATM 2115 O O6 . DO3 AaA 2 . O6 . DO3 284 0.250 22.062 40.493 0.810 20.328 . 284 DO3 AaA O6 . 1 HETATM 2116 H HO7 . DO3 AaA 2 . HO7 . DO3 284 -0.083 24.297 35.317 0.000 17.430 . 284 DO3 AaA HO7 c 1 HETATM 2117 H HC11 . DO3 AaA 2 . HC11 . DO3 284 4.291 25.446 33.790 0.810 18.630 . 284 DO3 AaA HC11 c 1 HETATM 2118 H HC12 . DO3 AaA 2 . HC12 . DO3 284 3.586 26.617 34.588 0.810 18.634 . 284 DO3 AaA HC12 c 1 HETATM 2119 H HC21 . DO3 AaA 2 . HC21 . DO3 284 4.925 24.412 35.635 0.810 17.938 . 284 DO3 AaA HC21 c 1 HETATM 2120 H HC22 . DO3 AaA 2 . HC22 . DO3 284 5.208 25.937 35.933 0.810 17.931 . 284 DO3 AaA HC22 c 1 HETATM 2121 H HC31 . DO3 AaA 2 . HC31 . DO3 284 4.240 24.610 38.856 0.810 18.036 . 284 DO3 AaA HC31 c 1 HETATM 2122 H HC32 . DO3 AaA 2 . HC32 . DO3 284 5.368 24.430 37.772 0.810 18.040 . 284 DO3 AaA HC32 c 1 HETATM 2123 H HC41 . DO3 AaA 2 . HC41 . DO3 284 4.481 22.513 37.032 0.810 18.281 . 284 DO3 AaA HC41 c 1 HETATM 2124 H HC42 . DO3 AaA 2 . HC42 . DO3 284 4.537 22.408 38.607 0.810 18.271 . 284 DO3 AaA HC42 c 1 HETATM 2125 H HC51 . DO3 AaA 2 . HC51 . DO3 284 1.668 20.828 37.618 0.810 19.195 . 284 DO3 AaA HC51 c 1 HETATM 2126 H HC52 . DO3 AaA 2 . HC52 . DO3 284 3.213 20.688 37.358 0.810 19.193 . 284 DO3 AaA HC52 c 1 HETATM 2127 H HC61 . DO3 AaA 2 . HC61 . DO3 284 3.053 21.430 35.288 0.810 19.590 . 284 DO3 AaA HC61 c 1 HETATM 2128 H HC62 . DO3 AaA 2 . HC62 . DO3 284 1.831 20.446 35.453 0.810 19.575 . 284 DO3 AaA HC62 c 1 HETATM 2129 H HC71 . DO3 AaA 2 . HC71 . DO3 284 0.818 22.885 33.469 0.810 19.297 . 284 DO3 AaA HC71 c 1 HETATM 2130 H HC72 . DO3 AaA 2 . HC72 . DO3 284 1.967 21.811 33.530 0.810 19.295 . 284 DO3 AaA HC72 c 1 HETATM 2131 H HC81 . DO3 AaA 2 . HC81 . DO3 284 3.533 23.350 33.936 0.810 19.275 . 284 DO3 AaA HC81 c 1 HETATM 2132 H HC82 . DO3 AaA 2 . HC82 . DO3 284 2.653 23.939 32.768 0.810 19.283 . 284 DO3 AaA HC82 c 1 HETATM 2133 H H101 . DO3 AaA 2 . H101 . DO3 284 0.675 25.234 33.624 0.810 20.376 . 284 DO3 AaA H101 c 1 HETATM 2134 H H102 . DO3 AaA 2 . H102 . DO3 284 1.770 26.216 33.095 0.810 20.379 . 284 DO3 AaA H102 c 1 HETATM 2135 H H121 . DO3 AaA 2 . H121 . DO3 284 3.316 27.182 36.887 0.810 17.166 . 284 DO3 AaA H121 c 1 HETATM 2136 H H122 . DO3 AaA 2 . H122 . DO3 284 4.381 26.832 37.983 0.810 17.162 . 284 DO3 AaA H122 c 1 HETATM 2137 H H141 . DO3 AaA 2 . H141 . DO3 284 2.531 23.210 39.737 0.810 18.449 . 284 DO3 AaA H141 c 1 HETATM 2138 H H142 . DO3 AaA 2 . H142 . DO3 284 2.489 21.655 39.637 0.810 18.456 . 284 DO3 AaA H142 c 1 HETATM 2139 H HA . DO3 AaA 2 . HA . DO3 284 -1.236 22.893 34.144 0.810 19.211 . 284 DO3 AaA HA c 1 HETATM 2140 H H161 . DO3 AaA 2 . H161 . DO3 284 -0.193 21.532 36.387 0.810 19.805 . 284 DO3 AaA H161 c 1 HETATM 2141 H H162 . DO3 AaA 2 . H162 . DO3 284 -0.165 21.059 34.871 0.810 19.798 . 284 DO3 AaA H162 c 1 HETATM 2142 H H171 . DO3 AaA 2 . H171 . DO3 284 -2.405 21.535 36.120 0.810 20.050 . 284 DO3 AaA H171 c 1 HETATM 2143 H H172 . DO3 AaA 2 . H172 . DO3 284 -3.143 22.391 35.003 0.810 20.041 . 284 DO3 AaA H172 c 1 HETATM 2144 H H173 . DO3 AaA 2 . H173 . DO3 284 -2.745 23.065 36.386 0.810 20.036 . 284 DO3 AaA H173 c 1 HETATM 2145 N N1 . DO3 AbA 2 . N1 . DO3 285 -1.358 30.314 40.260 0.730 18.108 . 285 DO3 AbA N1 . 1 HETATM 2146 N N2 . DO3 AbA 2 . N2 . DO3 285 -3.719 28.811 40.476 0.730 17.807 . 285 DO3 AbA N2 . 1 HETATM 2147 N N3 . DO3 AbA 2 . N3 . DO3 285 -3.053 28.289 43.266 0.730 19.875 . 285 DO3 AbA N3 . 1 HETATM 2148 N N4 . DO3 AbA 2 . N4 . DO3 285 -0.516 29.681 42.971 0.730 18.460 . 285 DO3 AbA N4 . 1 HETATM 2149 O O1 . DO3 AbA 2 . O1 . DO3 285 -0.976 27.956 38.915 0.730 14.772 . 285 DO3 AbA O1 . 1 HETATM 2150 O O3 . DO3 AbA 2 . O3 . DO3 285 -2.790 26.329 40.488 0.730 17.740 . 285 DO3 AbA O3 . 1 HETATM 2151 O O5 . DO3 AbA 2 . O5 . DO3 285 -1.034 26.390 43.154 0.730 18.446 . 285 DO3 AbA O5 . 1 HETATM 2152 O O7 . DO3 AbA 2 . O7 . DO3 285 0.981 27.931 41.521 0.730 16.139 . 285 DO3 AbA O7 . 1 HETATM 2153 C C1 . DO3 AbA 2 . C1 . DO3 285 -2.533 30.768 39.528 0.730 18.782 . 285 DO3 AbA C1 . 1 HETATM 2154 C C2 . DO3 AbA 2 . C2 . DO3 285 -3.777 30.220 40.059 0.730 20.209 . 285 DO3 AbA C2 . 1 HETATM 2155 C C3 . DO3 AbA 2 . C3 . DO3 285 -4.734 28.690 41.525 0.730 18.748 . 285 DO3 AbA C3 . 1 HETATM 2156 C C4 . DO3 AbA 2 . C4 . DO3 285 -4.296 28.952 42.923 0.730 20.636 . 285 DO3 AbA C4 . 1 HETATM 2157 C C5 . DO3 AbA 2 . C5 . DO3 285 -2.438 28.989 44.398 0.730 21.307 . 285 DO3 AbA C5 . 1 HETATM 2158 C C6 . DO3 AbA 2 . C6 . DO3 285 -1.424 30.021 44.048 0.730 19.509 . 285 DO3 AbA C6 . 1 HETATM 2159 C C7 . DO3 AbA 2 . C7 . DO3 285 -0.153 30.958 42.369 0.730 18.686 . 285 DO3 AbA C7 . 1 HETATM 2160 C C8 . DO3 AbA 2 . C8 . DO3 285 -1.023 31.377 41.205 0.730 19.306 . 285 DO3 AbA C8 . 1 HETATM 2161 C C9 . DO3 AbA 2 . C9 . DO3 285 -0.347 28.894 38.445 0.730 15.576 . 285 DO3 AbA C9 . 1 HETATM 2162 C C10 . DO3 AbA 2 . C10 . DO3 285 -0.262 30.121 39.333 0.730 16.980 . 285 DO3 AbA C10 . 1 HETATM 2163 C C11 . DO3 AbA 2 . C11 . DO3 285 -3.743 26.483 39.763 0.730 18.406 . 285 DO3 AbA C11 . 1 HETATM 2164 C C12 . DO3 AbA 2 . C12 . DO3 285 -4.041 27.914 39.395 0.730 20.021 . 285 DO3 AbA C12 . 1 HETATM 2165 C C13 . DO3 AbA 2 . C13 . DO3 285 -2.067 25.966 43.636 0.730 18.893 . 285 DO3 AbA C13 . 1 HETATM 2166 C C14 . DO3 AbA 2 . C14 . DO3 285 -3.299 26.877 43.642 0.730 20.218 . 285 DO3 AbA C14 . 1 HETATM 2167 C C15 . DO3 AbA 2 . C15 . DO3 285 1.671 28.512 42.612 0.730 18.412 . 285 DO3 AbA C15 . 1 HETATM 2168 C C16 . DO3 AbA 2 . C16 . DO3 285 0.672 29.075 43.585 0.730 18.343 . 285 DO3 AbA C16 . 1 HETATM 2169 C C17 . DO3 AbA 2 . C17 . DO3 285 2.588 27.522 43.296 0.730 17.603 . 285 DO3 AbA C17 . 1 HETATM 2170 O O2 . DO3 AbA 2 . O2 . DO3 285 0.207 28.954 37.327 0.730 15.529 . 285 DO3 AbA O2 . 1 HETATM 2171 O O4 . DO3 AbA 2 . O4 . DO3 285 -4.471 25.578 39.309 0.730 19.388 . 285 DO3 AbA O4 . 1 HETATM 2172 O O6 . DO3 AbA 2 . O6 . DO3 285 -2.221 24.839 44.119 0.730 18.072 . 285 DO3 AbA O6 . 1 HETATM 2173 H HO7 . DO3 AbA 2 . HO7 . DO3 285 0.519 28.540 41.143 0.000 16.110 . 285 DO3 AbA HO7 c 1 HETATM 2174 H HC11 . DO3 AbA 2 . HC11 . DO3 285 -2.579 31.747 39.557 0.730 18.942 . 285 DO3 AbA HC11 c 1 HETATM 2175 H HC12 . DO3 AbA 2 . HC12 . DO3 285 -2.453 30.504 38.588 0.730 18.928 . 285 DO3 AbA HC12 c 1 HETATM 2176 H HC21 . DO3 AbA 2 . HC21 . DO3 285 -4.044 30.768 40.826 0.730 19.283 . 285 DO3 AbA HC21 c 1 HETATM 2177 H HC22 . DO3 AbA 2 . HC22 . DO3 285 -4.473 30.317 39.376 0.730 19.283 . 285 DO3 AbA HC22 c 1 HETATM 2178 H HC31 . DO3 AbA 2 . HC31 . DO3 285 -5.105 27.784 41.494 0.730 18.950 . 285 DO3 AbA HC31 c 1 HETATM 2179 H HC32 . DO3 AbA 2 . HC32 . DO3 285 -5.470 29.303 41.318 0.730 18.950 . 285 DO3 AbA HC32 c 1 HETATM 2180 H HC41 . DO3 AbA 2 . HC41 . DO3 285 -4.188 29.919 43.041 0.730 20.000 . 285 DO3 AbA HC41 c 1 HETATM 2181 H HC42 . DO3 AbA 2 . HC42 . DO3 285 -4.999 28.653 43.537 0.730 19.999 . 285 DO3 AbA HC42 c 1 HETATM 2182 H HC51 . DO3 AbA 2 . HC51 . DO3 285 -2.008 28.328 44.976 0.730 20.525 . 285 DO3 AbA HC51 c 1 HETATM 2183 H HC52 . DO3 AbA 2 . HC52 . DO3 285 -3.145 29.418 44.926 0.730 20.529 . 285 DO3 AbA HC52 c 1 HETATM 2184 H HC61 . DO3 AbA 2 . HC61 . DO3 285 -1.904 30.841 43.807 0.730 19.653 . 285 DO3 AbA HC61 c 1 HETATM 2185 H HC62 . DO3 AbA 2 . HC62 . DO3 285 -0.900 30.220 44.852 0.730 19.650 . 285 DO3 AbA HC62 c 1 HETATM 2186 H HC71 . DO3 AbA 2 . HC71 . DO3 285 0.773 30.910 42.056 0.730 18.768 . 285 DO3 AbA HC71 c 1 HETATM 2187 H HC72 . DO3 AbA 2 . HC72 . DO3 285 -0.190 31.658 43.054 0.730 18.779 . 285 DO3 AbA HC72 c 1 HETATM 2188 H HC81 . DO3 AbA 2 . HC81 . DO3 285 -1.854 31.751 41.567 0.730 18.872 . 285 DO3 AbA HC81 c 1 HETATM 2189 H HC82 . DO3 AbA 2 . HC82 . DO3 285 -0.565 32.097 40.722 0.730 18.863 . 285 DO3 AbA HC82 c 1 HETATM 2190 H H101 . DO3 AbA 2 . H101 . DO3 285 0.564 30.069 39.840 0.730 16.906 . 285 DO3 AbA H101 c 1 HETATM 2191 H H102 . DO3 AbA 2 . H102 . DO3 285 -0.199 30.905 38.762 0.730 16.904 . 285 DO3 AbA H102 c 1 HETATM 2192 H H121 . DO3 AbA 2 . H121 . DO3 285 -3.523 28.155 38.614 0.730 19.103 . 285 DO3 AbA H121 c 1 HETATM 2193 H H122 . DO3 AbA 2 . H122 . DO3 285 -4.983 27.999 39.172 0.730 19.096 . 285 DO3 AbA H122 c 1 HETATM 2194 H H141 . DO3 AbA 2 . H141 . DO3 285 -3.954 26.504 43.030 0.730 19.817 . 285 DO3 AbA H141 c 1 HETATM 2195 H H142 . DO3 AbA 2 . H142 . DO3 285 -3.692 26.857 44.530 0.730 19.823 . 285 DO3 AbA H142 c 1 HETATM 2196 H HA . DO3 AbA 2 . HA . DO3 285 2.229 29.261 42.265 0.730 17.792 . 285 DO3 AbA HA c 1 HETATM 2197 H H161 . DO3 AbA 2 . H161 . DO3 285 0.381 28.352 44.187 0.730 18.392 . 285 DO3 AbA H161 c 1 HETATM 2198 H H162 . DO3 AbA 2 . H162 . DO3 285 1.127 29.754 44.135 0.730 18.393 . 285 DO3 AbA H162 c 1 HETATM 2199 H H171 . DO3 AbA 2 . H171 . DO3 285 2.401 27.506 44.252 0.730 17.850 . 285 DO3 AbA H171 c 1 HETATM 2200 H H172 . DO3 AbA 2 . H172 . DO3 285 3.515 27.785 43.152 0.730 17.848 . 285 DO3 AbA H172 c 1 HETATM 2201 H H173 . DO3 AbA 2 . H173 . DO3 285 2.442 26.634 42.924 0.730 17.844 . 285 DO3 AbA H173 c 1 HETATM 2202 CL CL . CL AcA 3 . CL . CL 286 -8.326 31.174 26.959 1.000 14.150 . 286 CL AcA CL . 1 HETATM 2203 CL CL . CL AdA 3 . CL . CL 287 -11.699 28.727 12.534 1.000 14.779 . 287 CL AdA CL . 1 HETATM 2204 CL CL . CL AeA 3 . CL . CL 288 10.966 10.620 33.255 1.000 23.264 . 288 CL AeA CL . 1 HETATM 2205 CL CL . CL AfA 3 . CL . CL 289 -7.523 9.894 14.308 1.000 29.480 . 289 CL AfA CL . 1 HETATM 2206 GD GD . GD AgA 4 . GD . GD 290 0.952 24.564 36.807 0.810 15.587 . 290 GD AgA GD . 1 HETATM 2207 GD GD . GD AhA 4 . GD . GD 291 -1.378 27.838 41.360 0.730 15.927 . 291 GD AhA GD . 1 HETATM 2208 O O . HOH ZZZ 5 . O . HOH 1 1.597 9.578 6.205 1.000 17.808 . 1 HOH ZZZ O . 1 HETATM 2209 O O . HOH ZZZ 5 . O . HOH 2 -8.471 19.081 0.945 1.000 29.595 . 2 HOH ZZZ O . 1 HETATM 2210 O O . HOH ZZZ 5 . O . HOH 3 0.161 17.475 4.952 1.000 20.062 . 3 HOH ZZZ O . 1 HETATM 2211 O O . HOH ZZZ 5 . O . HOH 4 -2.142 19.872 3.802 1.000 34.996 . 4 HOH ZZZ O . 1 HETATM 2212 O O . HOH ZZZ 5 . O . HOH 5 -6.424 19.328 2.644 1.000 15.615 . 5 HOH ZZZ O . 1 HETATM 2213 O O . HOH ZZZ 5 . O . HOH 6 -6.653 16.494 3.698 1.000 13.107 . 6 HOH ZZZ O . 1 HETATM 2214 O O . HOH ZZZ 5 . O . HOH 7 -9.536 12.178 9.626 1.000 19.311 . 7 HOH ZZZ O . 1 HETATM 2215 O O . HOH ZZZ 5 . O . HOH 8 -7.954 9.909 8.617 1.000 28.358 . 8 HOH ZZZ O . 1 HETATM 2216 O O . HOH ZZZ 5 . O . HOH 9 -2.738 11.312 5.359 1.000 25.018 . 9 HOH ZZZ O . 1 HETATM 2217 O O . HOH ZZZ 5 . O . HOH 10 -14.508 22.276 28.775 1.000 25.099 . 10 HOH ZZZ O . 1 HETATM 2218 O O . HOH ZZZ 5 . O . HOH 11 -14.884 27.743 12.866 1.000 22.990 . 11 HOH ZZZ O . 1 HETATM 2219 O O . HOH ZZZ 5 . O . HOH 12 -16.023 22.790 11.474 1.000 27.587 . 12 HOH ZZZ O . 1 HETATM 2220 O O . HOH ZZZ 5 . O . HOH 13 7.783 26.038 18.703 1.000 21.557 . 13 HOH ZZZ O . 1 HETATM 2221 O O . HOH ZZZ 5 . O . HOH 14 -14.984 8.898 16.990 1.000 24.598 . 14 HOH ZZZ O . 1 HETATM 2222 O O . HOH ZZZ 5 . O . HOH 15 -17.791 12.676 16.858 1.000 27.744 . 15 HOH ZZZ O . 1 HETATM 2223 O O . HOH ZZZ 5 . O . HOH 16 -11.966 11.862 11.214 1.000 20.018 . 16 HOH ZZZ O . 1 HETATM 2224 O O . HOH ZZZ 5 . O . HOH 17 -16.341 14.350 20.691 1.000 25.488 . 17 HOH ZZZ O . 1 HETATM 2225 O O . HOH ZZZ 5 . O . HOH 18 -9.918 8.048 16.073 1.000 31.714 . 18 HOH ZZZ O . 1 HETATM 2226 O O . HOH ZZZ 5 . O . HOH 19 -15.937 19.479 22.575 1.000 24.767 . 19 HOH ZZZ O . 1 HETATM 2227 O O . HOH ZZZ 5 . O . HOH 20 -16.283 23.645 14.306 1.000 21.957 . 20 HOH ZZZ O . 1 HETATM 2228 O O . HOH ZZZ 5 . O . HOH 21 -19.045 21.133 16.504 1.000 31.654 . 21 HOH ZZZ O . 1 HETATM 2229 O O . HOH ZZZ 5 . O . HOH 22 -14.604 25.722 15.227 1.000 14.328 . 22 HOH ZZZ O . 1 HETATM 2230 O O . HOH ZZZ 5 . O . HOH 23 -13.181 18.146 28.598 1.000 32.619 . 23 HOH ZZZ O . 1 HETATM 2231 O O . HOH ZZZ 5 . O . HOH 24 -9.548 19.198 30.329 1.000 29.270 . 24 HOH ZZZ O . 1 HETATM 2232 O O . HOH ZZZ 5 . O . HOH 25 -14.656 23.492 26.209 1.000 20.624 . 25 HOH ZZZ O . 1 HETATM 2233 O O . HOH ZZZ 5 . O . HOH 26 -10.644 29.215 28.245 1.000 30.834 . 26 HOH ZZZ O . 1 HETATM 2234 O O . HOH ZZZ 5 . O . HOH 27 -10.730 31.036 24.662 1.000 12.309 . 27 HOH ZZZ O . 1 HETATM 2235 O O . HOH ZZZ 5 . O . HOH 28 -13.592 27.931 28.854 1.000 32.477 . 28 HOH ZZZ O . 1 HETATM 2236 O O . HOH ZZZ 5 . O . HOH 29 -15.581 26.642 26.097 1.000 30.602 . 29 HOH ZZZ O . 1 HETATM 2237 O O . HOH ZZZ 5 . O . HOH 30 -14.555 31.721 21.383 1.000 19.172 . 30 HOH ZZZ O . 1 HETATM 2238 O O . HOH ZZZ 5 . O . HOH 31 -14.878 28.431 20.172 1.000 30.794 . 31 HOH ZZZ O . 1 HETATM 2239 O O . HOH ZZZ 5 . O . HOH 32 -14.406 30.951 18.561 1.000 22.029 . 32 HOH ZZZ O . 1 HETATM 2240 O O . HOH ZZZ 5 . O . HOH 33 11.005 5.252 33.918 1.000 32.451 . 33 HOH ZZZ O . 1 HETATM 2241 O O . HOH ZZZ 5 . O . HOH 34 -11.734 30.907 18.454 1.000 11.540 . 34 HOH ZZZ O . 1 HETATM 2242 O O . HOH ZZZ 5 . O . HOH 35 -11.856 32.490 15.826 1.000 25.228 . 35 HOH ZZZ O . 1 HETATM 2243 O O . HOH ZZZ 5 . O . HOH 36 7.320 22.957 39.779 1.000 28.040 . 36 HOH ZZZ O . 1 HETATM 2244 O O . HOH ZZZ 5 . O . HOH 37 -6.229 33.157 17.301 1.000 13.506 . 37 HOH ZZZ O . 1 HETATM 2245 O O . HOH ZZZ 5 . O . HOH 38 -9.511 32.888 16.675 1.000 13.683 . 38 HOH ZZZ O . 1 HETATM 2246 O O . HOH ZZZ 5 . O . HOH 39 -6.594 8.674 32.879 1.000 32.368 . 39 HOH ZZZ O . 1 HETATM 2247 O O . HOH ZZZ 5 . O . HOH 40 1.727 3.854 17.396 1.000 26.108 . 40 HOH ZZZ O . 1 HETATM 2248 O O . HOH ZZZ 5 . O . HOH 41 -3.000 5.793 23.656 1.000 28.107 . 41 HOH ZZZ O . 1 HETATM 2249 O O . HOH ZZZ 5 . O . HOH 42 0.795 2.970 24.671 1.000 30.843 . 42 HOH ZZZ O . 1 HETATM 2250 O O . HOH ZZZ 5 . O . HOH 43 -5.144 8.962 26.212 1.000 29.614 . 43 HOH ZZZ O . 1 HETATM 2251 O O . HOH ZZZ 5 . O . HOH 44 5.210 23.643 9.444 1.000 21.089 . 44 HOH ZZZ O . 1 HETATM 2252 O O . HOH ZZZ 5 . O . HOH 45 3.544 24.479 3.479 1.000 35.193 . 45 HOH ZZZ O . 1 HETATM 2253 O O . HOH ZZZ 5 . O . HOH 46 5.645 24.143 6.742 1.000 32.019 . 46 HOH ZZZ O . 1 HETATM 2254 O O . HOH ZZZ 5 . O . HOH 47 7.369 25.191 16.032 1.000 14.756 . 47 HOH ZZZ O . 1 HETATM 2255 O O . HOH ZZZ 5 . O . HOH 48 5.557 25.933 20.271 1.000 21.894 . 48 HOH ZZZ O . 1 HETATM 2256 O O . HOH ZZZ 5 . O . HOH 49 8.152 19.777 14.372 1.000 28.056 . 49 HOH ZZZ O . 1 HETATM 2257 O O . HOH ZZZ 5 . O . HOH 50 7.051 23.629 20.318 1.000 20.527 . 50 HOH ZZZ O . 1 HETATM 2258 O O . HOH ZZZ 5 . O . HOH 51 -8.296 19.741 32.991 1.000 35.135 . 51 HOH ZZZ O . 1 HETATM 2259 O O . HOH ZZZ 5 . O . HOH 52 -3.591 20.042 34.245 1.000 26.169 . 52 HOH ZZZ O . 1 HETATM 2260 O O . HOH ZZZ 5 . O . HOH 53 7.402 17.003 11.264 1.000 16.856 . 53 HOH ZZZ O . 1 HETATM 2261 O O . HOH ZZZ 5 . O . HOH 54 2.361 18.732 5.866 1.000 16.704 . 54 HOH ZZZ O . 1 HETATM 2262 O O . HOH ZZZ 5 . O . HOH 55 4.781 10.175 9.987 1.000 12.142 . 55 HOH ZZZ O . 1 HETATM 2263 O O . HOH ZZZ 5 . O . HOH 56 -2.814 35.437 7.779 1.000 33.342 . 56 HOH ZZZ O . 1 HETATM 2264 O O . HOH ZZZ 5 . O . HOH 57 -0.506 38.554 19.883 1.000 20.697 . 57 HOH ZZZ O . 1 HETATM 2265 O O . HOH ZZZ 5 . O . HOH 58 13.690 13.690 19.328 0.500 3.690 . 58 HOH ZZZ O . 1 HETATM 2266 O O . HOH ZZZ 5 . O . HOH 59 10.608 12.442 15.332 1.000 11.360 . 59 HOH ZZZ O . 1 HETATM 2267 O O . HOH ZZZ 5 . O . HOH 60 14.455 17.714 16.499 1.000 27.877 . 60 HOH ZZZ O . 1 HETATM 2268 O O . HOH ZZZ 5 . O . HOH 61 15.543 15.543 19.328 0.500 19.992 . 61 HOH ZZZ O . 1 HETATM 2269 O O . HOH ZZZ 5 . O . HOH 62 15.797 17.920 18.755 1.000 20.118 . 62 HOH ZZZ O . 1 HETATM 2270 O O . HOH ZZZ 5 . O . HOH 63 10.974 21.996 20.772 1.000 32.168 . 63 HOH ZZZ O . 1 HETATM 2271 O O . HOH ZZZ 5 . O . HOH 64 18.722 19.276 25.206 1.000 25.454 . 64 HOH ZZZ O . 1 HETATM 2272 O O . HOH ZZZ 5 . O . HOH 65 13.563 24.091 27.805 1.000 17.810 . 65 HOH ZZZ O . 1 HETATM 2273 O O . HOH ZZZ 5 . O . HOH 66 20.960 21.441 26.457 1.000 30.175 . 66 HOH ZZZ O . 1 HETATM 2274 O O . HOH ZZZ 5 . O . HOH 67 14.310 24.442 23.971 1.000 28.075 . 67 HOH ZZZ O . 1 HETATM 2275 O O . HOH ZZZ 5 . O . HOH 68 12.342 23.678 32.717 1.000 25.034 . 68 HOH ZZZ O . 1 HETATM 2276 O O . HOH ZZZ 5 . O . HOH 69 18.102 19.189 32.928 1.000 22.985 . 69 HOH ZZZ O . 1 HETATM 2277 O O . HOH ZZZ 5 . O . HOH 70 15.272 16.636 31.779 1.000 26.146 . 70 HOH ZZZ O . 1 HETATM 2278 O O . HOH ZZZ 5 . O . HOH 71 10.249 22.153 29.544 1.000 24.815 . 71 HOH ZZZ O . 1 HETATM 2279 O O . HOH ZZZ 5 . O . HOH 72 8.618 23.059 24.092 1.000 26.337 . 72 HOH ZZZ O . 1 HETATM 2280 O O . HOH ZZZ 5 . O . HOH 73 0.810 15.963 20.260 1.000 10.802 . 73 HOH ZZZ O . 1 HETATM 2281 O O . HOH ZZZ 5 . O . HOH 74 8.748 21.609 19.263 1.000 14.093 . 74 HOH ZZZ O . 1 HETATM 2282 O O . HOH ZZZ 5 . O . HOH 75 5.067 22.513 22.262 1.000 20.439 . 75 HOH ZZZ O . 1 HETATM 2283 O O . HOH ZZZ 5 . O . HOH 76 3.089 20.857 26.023 1.000 15.497 . 76 HOH ZZZ O . 1 HETATM 2284 O O . HOH ZZZ 5 . O . HOH 77 7.210 13.272 32.130 1.000 9.869 . 77 HOH ZZZ O . 1 HETATM 2285 O O . HOH ZZZ 5 . O . HOH 78 2.981 23.152 29.107 1.000 20.357 . 78 HOH ZZZ O . 1 HETATM 2286 O O . HOH ZZZ 5 . O . HOH 79 9.482 7.656 34.575 1.000 36.166 . 79 HOH ZZZ O . 1 HETATM 2287 O O . HOH ZZZ 5 . O . HOH 80 6.867 11.344 33.573 1.000 17.521 . 80 HOH ZZZ O . 1 HETATM 2288 O O . HOH ZZZ 5 . O . HOH 81 4.707 5.198 30.395 1.000 15.580 . 81 HOH ZZZ O . 1 HETATM 2289 O O . HOH ZZZ 5 . O . HOH 82 9.643 4.852 31.448 1.000 11.212 . 82 HOH ZZZ O . 1 HETATM 2290 O O . HOH ZZZ 5 . O . HOH 83 8.950 11.950 31.070 1.000 14.971 . 83 HOH ZZZ O . 1 HETATM 2291 O O . HOH ZZZ 5 . O . HOH 84 12.981 13.910 27.051 1.000 14.370 . 84 HOH ZZZ O . 1 HETATM 2292 O O . HOH ZZZ 5 . O . HOH 85 13.703 6.434 33.859 1.000 28.301 . 85 HOH ZZZ O . 1 HETATM 2293 O O . HOH ZZZ 5 . O . HOH 86 16.476 7.293 29.851 1.000 25.389 . 86 HOH ZZZ O . 1 HETATM 2294 O O . HOH ZZZ 5 . O . HOH 87 17.959 9.410 25.352 1.000 18.227 . 87 HOH ZZZ O . 1 HETATM 2295 O O . HOH ZZZ 5 . O . HOH 88 6.329 11.388 36.108 1.000 27.890 . 88 HOH ZZZ O . 1 HETATM 2296 O O . HOH ZZZ 5 . O . HOH 89 4.792 17.041 43.448 1.000 35.109 . 89 HOH ZZZ O . 1 HETATM 2297 O O . HOH ZZZ 5 . O . HOH 90 5.788 20.121 40.069 1.000 37.420 . 90 HOH ZZZ O . 1 HETATM 2298 O O . HOH ZZZ 5 . O . HOH 91 4.885 21.663 42.429 1.000 33.676 . 91 HOH ZZZ O . 1 HETATM 2299 O O . HOH ZZZ 5 . O . HOH 92 2.300 20.823 42.678 1.000 35.070 . 92 HOH ZZZ O . 1 HETATM 2300 O O . HOH ZZZ 5 . O . HOH 93 4.592 7.958 35.001 1.000 29.096 . 93 HOH ZZZ O . 1 HETATM 2301 O O . HOH ZZZ 5 . O . HOH 94 2.378 13.246 37.386 1.000 28.786 . 94 HOH ZZZ O . 1 HETATM 2302 O O . HOH ZZZ 5 . O . HOH 95 1.859 6.412 31.484 1.000 17.569 . 95 HOH ZZZ O . 1 HETATM 2303 O O . HOH ZZZ 5 . O . HOH 96 -5.786 10.596 31.297 1.000 37.218 . 96 HOH ZZZ O . 1 HETATM 2304 O O . HOH ZZZ 5 . O . HOH 97 -4.679 12.197 32.871 1.000 34.153 . 97 HOH ZZZ O . 1 HETATM 2305 O O . HOH ZZZ 5 . O . HOH 98 3.601 5.355 18.686 1.000 20.149 . 98 HOH ZZZ O . 1 HETATM 2306 O O . HOH ZZZ 5 . O . HOH 99 2.489 4.046 22.534 1.000 21.669 . 99 HOH ZZZ O . 1 HETATM 2307 O O . HOH ZZZ 5 . O . HOH 100 6.518 3.169 24.345 1.000 20.019 . 100 HOH ZZZ O . 1 HETATM 2308 O O . HOH ZZZ 5 . O . HOH 101 -2.078 6.615 21.193 1.000 20.863 . 101 HOH ZZZ O . 1 HETATM 2309 O O . HOH ZZZ 5 . O . HOH 102 0.129 13.293 17.527 1.000 22.707 . 102 HOH ZZZ O . 1 HETATM 2310 O O . HOH ZZZ 5 . O . HOH 103 -1.288 11.262 17.227 1.000 11.304 . 103 HOH ZZZ O . 1 HETATM 2311 O O . HOH ZZZ 5 . O . HOH 104 -2.371 4.394 19.624 1.000 34.973 . 104 HOH ZZZ O . 1 HETATM 2312 O O . HOH ZZZ 5 . O . HOH 105 -2.900 4.575 15.545 1.000 36.856 . 105 HOH ZZZ O . 1 HETATM 2313 O O . HOH ZZZ 5 . O . HOH 106 1.120 3.039 12.558 1.000 33.868 . 106 HOH ZZZ O . 1 HETATM 2314 O O . HOH ZZZ 5 . O . HOH 107 2.182 4.424 10.407 1.000 32.629 . 107 HOH ZZZ O . 1 HETATM 2315 O O . HOH ZZZ 5 . O . HOH 108 -1.669 5.408 9.560 1.000 27.313 . 108 HOH ZZZ O . 1 HETATM 2316 O O . HOH ZZZ 5 . O . HOH 109 -5.229 5.406 12.808 0.500 15.576 . 109 HOH ZZZ O . 1 HETATM 2317 O O . HOH ZZZ 5 . O . HOH 110 -4.861 3.761 14.279 0.500 29.034 . 110 HOH ZZZ O . 1 HETATM 2318 O O . HOH ZZZ 5 . O . HOH 111 -5.355 8.502 11.714 1.000 25.211 . 111 HOH ZZZ O . 1 HETATM 2319 O O . HOH ZZZ 5 . O . HOH 112 0.218 4.397 14.760 1.000 19.042 . 112 HOH ZZZ O . 1 HETATM 2320 O O . HOH ZZZ 5 . O . HOH 113 2.042 6.511 11.822 1.000 18.971 . 113 HOH ZZZ O . 1 HETATM 2321 O O . HOH ZZZ 5 . O . HOH 114 -2.159 10.342 19.745 1.000 12.461 . 114 HOH ZZZ O . 1 HETATM 2322 O O . HOH ZZZ 5 . O . HOH 115 -4.265 7.823 20.291 1.000 13.563 . 115 HOH ZZZ O . 1 HETATM 2323 O O . HOH ZZZ 5 . O . HOH 116 -10.996 7.692 19.901 1.000 25.889 . 116 HOH ZZZ O . 1 HETATM 2324 O O . HOH ZZZ 5 . O . HOH 117 -3.994 11.446 26.368 1.000 14.800 . 117 HOH ZZZ O . 1 HETATM 2325 O O . HOH ZZZ 5 . O . HOH 118 -8.615 15.453 28.509 1.000 28.582 . 118 HOH ZZZ O . 1 HETATM 2326 O O . HOH ZZZ 5 . O . HOH 119 -14.726 17.464 25.003 1.000 44.773 . 119 HOH ZZZ O . 1 HETATM 2327 O O . HOH ZZZ 5 . O . HOH 120 -15.278 14.975 22.843 1.000 31.647 . 120 HOH ZZZ O . 1 HETATM 2328 O O . HOH ZZZ 5 . O . HOH 121 -4.953 12.112 28.883 1.000 22.104 . 121 HOH ZZZ O . 1 HETATM 2329 O O . HOH ZZZ 5 . O . HOH 122 -5.976 21.147 33.010 1.000 22.435 . 122 HOH ZZZ O . 1 HETATM 2330 O O . HOH ZZZ 5 . O . HOH 123 -6.759 27.697 30.141 1.000 16.655 . 123 HOH ZZZ O . 1 HETATM 2331 O O . HOH ZZZ 5 . O . HOH 124 -12.135 23.036 29.418 1.000 26.958 . 124 HOH ZZZ O . 1 HETATM 2332 O O . HOH ZZZ 5 . O . HOH 125 -7.324 26.275 34.976 1.000 32.409 . 125 HOH ZZZ O . 1 HETATM 2333 O O . HOH ZZZ 5 . O . HOH 126 -2.232 26.624 28.886 1.000 27.941 . 126 HOH ZZZ O . 1 HETATM 2334 O O . HOH ZZZ 5 . O . HOH 127 -3.587 29.068 36.427 1.000 26.843 . 127 HOH ZZZ O . 1 HETATM 2335 O O . HOH ZZZ 5 . O . HOH 128 0.290 25.478 29.893 1.000 30.528 . 128 HOH ZZZ O . 1 HETATM 2336 O O . HOH ZZZ 5 . O . HOH 129 -2.579 30.638 34.868 1.000 39.524 . 129 HOH ZZZ O . 1 HETATM 2337 O O . HOH ZZZ 5 . O . HOH 130 5.496 25.758 23.057 1.000 21.028 . 130 HOH ZZZ O . 1 HETATM 2338 O O . HOH ZZZ 5 . O . HOH 131 1.499 37.040 18.712 1.000 24.758 . 131 HOH ZZZ O . 1 HETATM 2339 O O . HOH ZZZ 5 . O . HOH 132 4.149 31.883 10.057 1.000 11.374 . 132 HOH ZZZ O . 1 HETATM 2340 O O . HOH ZZZ 5 . O . HOH 133 0.681 33.048 10.174 1.000 31.139 . 133 HOH ZZZ O . 1 HETATM 2341 O O . HOH ZZZ 5 . O . HOH 134 0.011 36.270 25.894 1.000 23.747 . 134 HOH ZZZ O . 1 HETATM 2342 O O . HOH ZZZ 5 . O . HOH 135 -0.867 38.444 14.921 1.000 21.894 . 135 HOH ZZZ O . 1 HETATM 2343 O O . HOH ZZZ 5 . O . HOH 136 0.323 37.764 22.461 1.000 23.042 . 136 HOH ZZZ O . 1 HETATM 2344 O O . HOH ZZZ 5 . O . HOH 137 0.701 35.463 15.624 1.000 15.282 . 137 HOH ZZZ O . 1 HETATM 2345 O O . HOH ZZZ 5 . O . HOH 138 -3.852 41.011 13.977 1.000 31.287 . 138 HOH ZZZ O . 1 HETATM 2346 O O . HOH ZZZ 5 . O . HOH 139 -3.346 38.952 18.735 1.000 20.224 . 139 HOH ZZZ O . 1 HETATM 2347 O O . HOH ZZZ 5 . O . HOH 140 -7.011 36.997 17.464 1.000 7.941 . 140 HOH ZZZ O . 1 HETATM 2348 O O . HOH ZZZ 5 . O . HOH 141 -7.334 34.870 15.454 1.000 12.533 . 141 HOH ZZZ O . 1 HETATM 2349 O O . HOH ZZZ 5 . O . HOH 142 -7.962 37.352 5.845 1.000 24.274 . 142 HOH ZZZ O . 1 HETATM 2350 O O . HOH ZZZ 5 . O . HOH 143 -4.275 33.111 7.894 1.000 21.180 . 143 HOH ZZZ O . 1 HETATM 2351 O O . HOH ZZZ 5 . O . HOH 144 -4.320 37.075 8.874 1.000 25.014 . 144 HOH ZZZ O . 1 HETATM 2352 O O . HOH ZZZ 5 . O . HOH 145 -2.859 32.107 10.077 1.000 18.407 . 145 HOH ZZZ O . 1 HETATM 2353 O O . HOH ZZZ 5 . O . HOH 146 -21.967 19.300 -2.329 1.000 24.640 . 146 HOH ZZZ O . 1 HETATM 2354 O O . HOH ZZZ 5 . O . HOH 147 -15.276 15.790 7.328 1.000 22.908 . 147 HOH ZZZ O . 1 HETATM 2355 O O . HOH ZZZ 5 . O . HOH 148 -23.010 19.409 0.520 1.000 30.521 . 148 HOH ZZZ O . 1 HETATM 2356 O O . HOH ZZZ 5 . O . HOH 149 -16.639 16.215 9.195 0.500 14.161 . 149 HOH ZZZ O . 1 HETATM 2357 O O . HOH ZZZ 5 . O . HOH 150 -1.950 24.063 39.537 1.000 27.131 . 150 HOH ZZZ O . 1 HETATM 2358 O O . HOH ZZZ 5 . O . HOH 151 5.034 28.277 40.662 1.000 16.672 . 151 HOH ZZZ O . 1 HETATM 2359 O O . HOH ZZZ 5 . O . HOH 152 -0.951 25.497 37.772 1.000 20.054 . 152 HOH ZZZ O . 1 HETATM 2360 O O . HOH ZZZ 5 . O . HOH 153 -0.092 23.270 43.238 1.000 28.552 . 153 HOH ZZZ O . 1 HETATM 2361 O O . HOH ZZZ 5 . O . HOH 154 -0.236 25.607 40.767 1.000 24.941 . 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