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 . 2.031 SS 2 disulf SG . 30 . CYS AAA . SG . 115 . CYS AAA . 2.031 SS 3 disulf SG . 64 . CYS AAA . SG . 80 . CYS AAA . 2.031 SS 4 disulf SG . 76 . CYS AAA . SG . 94 . CYS AAA . 2.031 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 13.674 _refine.aniso_B[1][1] 0.025 _refine.aniso_B[2][2] 0.025 _refine.aniso_B[3][3] -0.049 _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 1.720 _refine.ls_d_res_low 38.623 _refine.ls_number_reflns_R_work 11690 _refine.ls_number_reflns_R_free 1215 _refine.ls_number_reflns_obs 12905 _refine.ls_R_factor_R_work 0.0606 _refine.ls_R_factor_R_free 0.0711 _refine.ls_R_factor_all 0.062 _refine.ls_wR_factor_R_work 0.055 _refine.ls_wR_factor_R_free 0.064 _refine.ls_percent_reflns_obs 99.907 _refine.ls_percent_reflns_R_free 9.415 _refine.correlation_coeff_Fo_to_Fc 0.988 _refine.correlation_coeff_Fo_to_Fc_free 0.990 _refine.pdbx_overall_ESU_R 0.045 _refine.pdbx_overall_ESU_R_Free 0.041 _refine.overall_SU_ML 0.025 _refine.overall_SU_B 0.804 _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work 0.9922 _refine.pdbx_average_fsc_free 0.9915 _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 3.430 1759 99.8294 1589 0.087 0.086 167 0.080 0.101 0.989 0.993 'X-RAY DIFFRACTION' 4 3.430 2.430 2970 99.8316 2707 0.040 0.041 258 0.058 0.037 0.996 0.993 'X-RAY DIFFRACTION' 4 2.430 1.985 3781 100.0000 3394 0.042 0.044 387 0.058 0.032 0.996 0.996 'X-RAY DIFFRACTION' 4 1.985 1.720 4404 99.9319 3999 0.078 0.080 402 0.099 0.056 0.988 0.986 '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 0.012 0.013 'X-RAY DIFFRACTION' r_bond_other_d 960 0.001 0.018 'X-RAY DIFFRACTION' r_angle_refined_deg 1461 1.915 1.652 'X-RAY DIFFRACTION' r_angle_other_deg 2223 1.895 1.582 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 128 3.525 5.000 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 61 29.967 20.656 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 166 11.090 15.000 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 11 14.233 15.000 'X-RAY DIFFRACTION' r_chiral_restr 136 0.131 0.200 'X-RAY DIFFRACTION' r_gen_planes_refined 1211 0.008 0.020 'X-RAY DIFFRACTION' r_gen_planes_other 246 0.001 0.020 'X-RAY DIFFRACTION' r_nbd_refined 287 0.224 0.200 'X-RAY DIFFRACTION' r_symmetry_nbd_other 1006 0.195 0.200 'X-RAY DIFFRACTION' r_nbtor_refined 538 0.177 0.200 'X-RAY DIFFRACTION' r_symmetry_nbtor_other 524 0.103 0.200 'X-RAY DIFFRACTION' r_xyhbond_nbd_refined 96 0.168 0.200 'X-RAY DIFFRACTION' r_metal_ion_refined 6 0.118 0.200 'X-RAY DIFFRACTION' r_symmetry_nbd_refined 14 0.208 0.200 'X-RAY DIFFRACTION' r_nbd_other 52 0.189 0.200 'X-RAY DIFFRACTION' r_symmetry_xyhbond_nbd_refined 9 0.212 0.200 'X-RAY DIFFRACTION' r_mcbond_it 514 0.673 1.321 'X-RAY DIFFRACTION' r_mcbond_other 514 0.673 1.321 'X-RAY DIFFRACTION' r_mcangle_it 642 0.792 1.983 'X-RAY DIFFRACTION' r_mcangle_other 643 0.792 1.986 'X-RAY DIFFRACTION' r_scbond_it 566 1.036 1.452 'X-RAY DIFFRACTION' r_scbond_other 567 1.035 1.452 'X-RAY DIFFRACTION' r_scangle_it 819 1.332 2.147 'X-RAY DIFFRACTION' r_scangle_other 820 1.331 2.148 'X-RAY DIFFRACTION' r_lrange_it 1364 3.438 17.089 'X-RAY DIFFRACTION' r_lrange_other 1335 3.171 16.677 '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 2.281 9.241 10.901 1.000 12.947 . 1 LYS AAA N . 1 ATOM 2 H H . LYS AAA 1 1 H . LYS 1 2.234 8.344 11.055 1.000 13.026 . 1 LYS AAA H c 1 ATOM 3 H H2 . LYS AAA 1 1 H2 . LYS 1 2.106 9.716 11.716 1.000 13.026 . 1 LYS AAA H2 c 1 ATOM 4 H H3 . LYS AAA 1 1 H3 . LYS 1 3.159 9.464 10.582 1.000 13.026 . 1 LYS AAA H3 c 1 ATOM 5 C CA . LYS AAA 1 1 CA . LYS 1 1.269 9.623 9.876 1.000 13.204 . 1 LYS AAA CA . 1 ATOM 6 H HA . LYS AAA 1 1 HA . LYS 1 1.486 9.152 9.038 1.000 13.311 . 1 LYS AAA HA c 1 ATOM 7 C CB A LYS AAA 1 1 CB . LYS 1 -0.142 9.220 10.315 0.500 13.624 . 1 LYS AAA CB . 1 ATOM 8 H HB3 . LYS AAA 1 1 HB3 . LYS 1 -0.281 9.540 11.230 0.500 13.435 . 1 LYS AAA HB3 c 1 ATOM 9 H HB2 . LYS AAA 1 1 HB2 . LYS 1 -0.190 8.242 10.332 0.500 13.437 . 1 LYS AAA HB2 c 1 ATOM 10 C CG A LYS AAA 1 1 CG . LYS 1 -1.277 9.738 9.452 0.500 13.258 . 1 LYS AAA CG . 1 ATOM 11 H HG3 . LYS AAA 1 1 HG3 . LYS 1 -1.093 9.508 8.516 0.500 13.520 . 1 LYS AAA HG3 c 1 ATOM 12 H HG2 . LYS AAA 1 1 HG2 . LYS 1 -1.308 10.716 9.520 0.500 13.520 . 1 LYS AAA HG2 c 1 ATOM 13 C CD A LYS AAA 1 1 CD . LYS 1 -2.635 9.175 9.844 0.500 14.018 . 1 LYS AAA CD . 1 ATOM 14 H HD3 . LYS AAA 1 1 HD3 . LYS 1 -2.846 9.439 10.765 0.500 13.958 . 1 LYS AAA HD3 c 1 ATOM 15 H HD2 . LYS AAA 1 1 HD2 . LYS 1 -2.608 8.195 9.801 0.500 13.958 . 1 LYS AAA HD2 c 1 ATOM 16 C CE A LYS AAA 1 1 CE . LYS 1 -3.709 9.686 8.918 0.500 14.555 . 1 LYS AAA CE . 1 ATOM 17 H HE3 . LYS AAA 1 1 HE3 . LYS 1 -3.672 10.661 8.878 0.500 14.297 . 1 LYS AAA HE3 c 1 ATOM 18 H HE2 . LYS AAA 1 1 HE2 . LYS 1 -4.586 9.429 9.258 0.500 14.309 . 1 LYS AAA HE2 c 1 ATOM 19 N NZ A LYS AAA 1 1 NZ . LYS 1 -3.538 9.138 7.550 0.500 13.997 . 1 LYS AAA NZ . 1 ATOM 20 H HZ1 . LYS AAA 1 1 HZ1 . LYS 1 -2.786 9.478 7.174 0.500 14.167 . 1 LYS AAA HZ1 c 1 ATOM 21 H HZ2 . LYS AAA 1 1 HZ2 . LYS 1 -4.253 9.362 7.038 0.500 14.167 . 1 LYS AAA HZ2 c 1 ATOM 22 H HZ3 . LYS AAA 1 1 HZ3 . LYS 1 -3.470 8.235 7.587 0.500 14.167 . 1 LYS AAA HZ3 c 1 ATOM 23 C C . LYS AAA 1 1 C . LYS 1 1.332 11.140 9.620 1.000 13.606 . 1 LYS AAA C . 1 ATOM 24 O O . LYS AAA 1 1 O . LYS 1 1.298 11.943 10.548 1.000 13.108 . 1 LYS AAA O . 1 ATOM 26 N N . VAL AAA 1 2 N . VAL 2 1.380 11.524 8.364 1.000 13.794 . 2 VAL AAA N . 1 ATOM 27 H H . VAL AAA 1 2 H . VAL 2 1.427 10.949 7.659 1.000 13.636 . 2 VAL AAA H c 1 ATOM 28 C CA . VAL AAA 1 2 CA . VAL 2 1.361 12.962 7.984 1.000 13.324 . 2 VAL AAA CA . 1 ATOM 29 H HA . VAL AAA 1 2 HA . VAL 2 1.501 13.498 8.782 1.000 13.753 . 2 VAL AAA HA c 1 ATOM 30 C CB . VAL AAA 1 2 CB . VAL 2 2.442 13.325 6.954 1.000 14.911 . 2 VAL AAA CB . 1 ATOM 31 H HB . VAL AAA 1 2 HB . VAL 2 2.309 12.753 6.159 1.000 14.771 . 2 VAL AAA HB c 1 ATOM 32 C CG1 . VAL AAA 1 2 CG1 . VAL 2 2.315 14.766 6.525 1.000 15.352 . 2 VAL AAA CG1 . 1 ATOM 33 H HG11 . VAL AAA 1 2 HG11 . VAL 2 1.649 14.837 5.820 1.000 15.212 . 2 VAL AAA HG11 c 1 ATOM 34 H HG12 . VAL AAA 1 2 HG12 . VAL 2 3.173 15.084 6.192 1.000 15.214 . 2 VAL AAA HG12 c 1 ATOM 35 H HG13 . VAL AAA 1 2 HG13 . VAL 2 2.042 15.309 7.285 1.000 15.210 . 2 VAL AAA HG13 c 1 ATOM 36 C CG2 . VAL AAA 1 2 CG2 . VAL 2 3.819 13.047 7.511 1.000 15.426 . 2 VAL AAA CG2 . 1 ATOM 37 H HG21 . VAL AAA 1 2 HG21 . VAL 2 3.966 13.594 8.303 1.000 15.265 . 2 VAL AAA HG21 c 1 ATOM 38 H HG22 . VAL AAA 1 2 HG22 . VAL 2 4.491 13.262 6.841 1.000 15.265 . 2 VAL AAA HG22 c 1 ATOM 39 H HG23 . VAL AAA 1 2 HG23 . VAL 2 3.890 12.107 7.750 1.000 15.263 . 2 VAL AAA HG23 c 1 ATOM 40 C C . VAL AAA 1 2 C . VAL 2 -0.059 13.212 7.461 1.000 13.602 . 2 VAL AAA C . 1 ATOM 41 O O . VAL AAA 1 2 O . VAL 2 -0.431 12.728 6.364 1.000 12.664 . 2 VAL AAA O . 1 ATOM 43 N N . PHE AAA 1 3 N . PHE 3 -0.823 13.984 8.217 1.000 14.734 . 3 PHE AAA N . 1 ATOM 44 H H . PHE AAA 1 3 H . PHE 3 -0.537 14.388 8.981 1.000 14.087 . 3 PHE AAA H c 1 ATOM 45 C CA . PHE AAA 1 3 CA . PHE 3 -2.233 14.282 7.899 1.000 13.216 . 3 PHE AAA CA . 1 ATOM 46 H HA . PHE AAA 1 3 HA . PHE 3 -2.674 13.458 7.570 1.000 13.668 . 3 PHE AAA HA c 1 ATOM 47 C CB . PHE AAA 1 3 CB . PHE 3 -2.995 14.807 9.114 1.000 13.243 . 3 PHE AAA CB . 1 ATOM 48 H HB3 . PHE AAA 1 3 HB3 . PHE 3 -3.753 15.340 8.796 1.000 13.450 . 3 PHE AAA HB3 c 1 ATOM 49 H HB2 . PHE AAA 1 3 HB2 . PHE 3 -2.403 15.403 9.619 1.000 13.452 . 3 PHE AAA HB2 c 1 ATOM 50 C CG . PHE AAA 1 3 CG . PHE 3 -3.502 13.750 10.024 1.000 14.175 . 3 PHE AAA CG . 1 ATOM 51 C CD1 . PHE AAA 1 3 CD1 . PHE 3 -2.632 13.062 10.858 1.000 13.832 . 3 PHE AAA CD1 . 1 ATOM 52 H HD1 . PHE AAA 1 3 HD1 . PHE 3 -1.708 13.256 10.837 1.000 13.875 . 3 PHE AAA HD1 c 1 ATOM 53 C CE1 . PHE AAA 1 3 CE1 . PHE 3 -3.124 12.086 11.725 1.000 13.649 . 3 PHE AAA CE1 . 1 ATOM 54 H HE1 . PHE AAA 1 3 HE1 . PHE 3 -2.527 11.619 12.284 1.000 13.718 . 3 PHE AAA HE1 c 1 ATOM 55 C CZ . PHE AAA 1 3 CZ . PHE 3 -4.475 11.794 11.775 1.000 13.681 . 3 PHE AAA CZ . 1 ATOM 56 H HZ . PHE AAA 1 3 HZ . PHE 3 -4.799 11.128 12.360 1.000 13.872 . 3 PHE AAA HZ c 1 ATOM 57 C CD2 . PHE AAA 1 3 CD2 . PHE 3 -4.863 13.449 10.073 1.000 14.155 . 3 PHE AAA CD2 . 1 ATOM 58 H HD2 . PHE AAA 1 3 HD2 . PHE 3 -5.465 13.923 9.523 1.000 14.201 . 3 PHE AAA HD2 c 1 ATOM 59 C CE2 . PHE AAA 1 3 CE2 . PHE 3 -5.342 12.486 10.952 1.000 14.527 . 3 PHE AAA CE2 . 1 ATOM 60 H HE2 . PHE AAA 1 3 HE2 . PHE 3 -6.265 12.288 10.971 1.000 14.202 . 3 PHE AAA HE2 c 1 ATOM 61 C C . PHE AAA 1 3 C . PHE 3 -2.320 15.361 6.815 1.000 14.112 . 3 PHE AAA C . 1 ATOM 62 O O . PHE AAA 1 3 O . PHE 3 -1.409 16.219 6.683 1.000 13.987 . 3 PHE AAA O . 1 ATOM 64 N N . GLY AAA 1 4 N . GLY 4 -3.412 15.295 6.044 1.000 14.179 . 4 GLY AAA N . 1 ATOM 65 H H . GLY AAA 1 4 H . GLY 4 -3.999 14.600 6.067 1.000 13.994 . 4 GLY AAA H c 1 ATOM 66 C CA . GLY AAA 1 4 CA . GLY 4 -3.720 16.352 5.095 1.000 13.502 . 4 GLY AAA CA . 1 ATOM 67 H HA3 . GLY AAA 1 4 HA3 . GLY 4 -4.352 16.025 4.409 1.000 13.694 . 4 GLY AAA HA3 c 1 ATOM 68 H HA2 . GLY AAA 1 4 HA2 . GLY 4 -2.893 16.692 4.670 1.000 13.696 . 4 GLY AAA HA2 c 1 ATOM 69 C C . GLY AAA 1 4 C . GLY 4 -4.360 17.415 5.951 1.000 13.655 . 4 GLY AAA C . 1 ATOM 70 O O . GLY AAA 1 4 O . GLY 4 -4.845 17.069 7.041 1.000 13.098 . 4 GLY AAA O . 1 ATOM 72 N N . ARG AAA 1 5 N . ARG 5 -4.376 18.651 5.487 1.000 12.286 . 5 ARG AAA N . 1 ATOM 73 H H . ARG AAA 1 5 H . ARG 5 -4.034 18.897 4.679 1.000 12.744 . 5 ARG AAA H c 1 ATOM 74 C CA . ARG AAA 1 5 CA . ARG 5 -4.978 19.747 6.295 1.000 12.899 . 5 ARG AAA CA . 1 ATOM 75 H HA . ARG AAA 1 5 HA . ARG 5 -4.459 19.846 7.126 1.000 12.730 . 5 ARG AAA HA c 1 ATOM 76 C CB . ARG AAA 1 5 CB . ARG 5 -4.874 21.043 5.482 1.000 12.708 . 5 ARG AAA CB . 1 ATOM 77 H HB3 . ARG AAA 1 5 HB3 . ARG 5 -5.324 20.907 4.622 1.000 13.291 . 5 ARG AAA HB3 c 1 ATOM 78 H HB2 . ARG AAA 1 5 HB2 . ARG 5 -3.927 21.221 5.300 1.000 13.312 . 5 ARG AAA HB2 c 1 ATOM 79 C CG . ARG AAA 1 5 CG . ARG 5 -5.476 22.260 6.162 1.000 15.084 . 5 ARG AAA CG . 1 ATOM 80 H HG3 . ARG AAA 1 5 HG3 . ARG 5 -5.097 22.361 7.061 1.000 14.707 . 5 ARG AAA HG3 c 1 ATOM 81 H HG2 . ARG AAA 1 5 HG2 . ARG 5 -6.448 22.152 6.242 1.000 14.704 . 5 ARG AAA HG2 c 1 ATOM 82 C CD . ARG AAA 1 5 CD . ARG 5 -5.169 23.506 5.334 1.000 16.088 . 5 ARG AAA CD . 1 ATOM 83 H HD3 . ARG AAA 1 5 HD3 . ARG 5 -4.197 23.593 5.249 1.000 16.263 . 5 ARG AAA HD3 c 1 ATOM 84 H HD2 . ARG AAA 1 5 HD2 . ARG 5 -5.495 24.299 5.807 1.000 16.272 . 5 ARG AAA HD2 c 1 ATOM 85 N NE . ARG AAA 1 5 NE . ARG 5 -5.751 23.466 3.997 1.000 17.998 . 5 ARG AAA NE . 1 ATOM 86 H HE . ARG AAA 1 5 HE . ARG 5 -5.245 23.191 3.343 1.000 17.310 . 5 ARG AAA HE c 1 ATOM 87 C CZ . ARG AAA 1 5 CZ . ARG 5 -7.009 23.825 3.699 1.000 17.089 . 5 ARG AAA CZ . 1 ATOM 88 N NH1 . ARG AAA 1 5 NH1 . ARG 5 -7.821 24.252 4.642 1.000 16.813 . 5 ARG AAA NH1 . 1 ATOM 89 H HH11 . ARG AAA 1 5 HH11 . ARG 5 -7.548 24.300 5.471 1.000 16.923 . 5 ARG AAA HH11 c 1 ATOM 90 H HH12 . ARG AAA 1 5 HH12 . ARG 5 -8.644 24.483 4.437 1.000 16.928 . 5 ARG AAA HH12 c 1 ATOM 91 N NH2 . ARG AAA 1 5 NH2 . ARG 5 -7.445 23.754 2.442 1.000 17.668 . 5 ARG AAA NH2 . 1 ATOM 92 H HH21 . ARG AAA 1 5 HH21 . ARG 5 -6.906 23.471 1.806 1.000 17.449 . 5 ARG AAA HH21 c 1 ATOM 93 H HH22 . ARG AAA 1 5 HH22 . ARG 5 -8.272 23.990 2.249 1.000 17.449 . 5 ARG AAA HH22 c 1 ATOM 94 C C . ARG AAA 1 5 C . ARG 5 -6.438 19.424 6.654 1.000 12.827 . 5 ARG AAA C . 1 ATOM 95 O O . ARG AAA 1 5 O . ARG 5 -6.817 19.491 7.822 1.000 13.160 . 5 ARG AAA O . 1 ATOM 97 N N . CYS AAA 1 6 N . CYS 6 -7.290 19.197 5.671 1.000 12.991 . 6 CYS AAA N . 1 ATOM 98 H H . CYS AAA 1 6 H . CYS 6 -7.077 19.181 4.786 1.000 13.094 . 6 CYS AAA H c 1 ATOM 99 C CA . CYS AAA 1 6 CA . CYS 6 -8.745 18.935 5.949 1.000 13.556 . 6 CYS AAA CA . 1 ATOM 100 H HA . CYS AAA 1 6 HA . CYS 6 -9.076 19.667 6.516 1.000 13.480 . 6 CYS AAA HA c 1 ATOM 101 C CB . CYS AAA 1 6 CB . CYS 6 -9.540 18.942 4.651 1.000 15.636 . 6 CYS AAA CB . 1 ATOM 102 H HB3 . CYS AAA 1 6 HB3 . CYS 6 -10.455 18.648 4.837 1.000 15.338 . 6 CYS AAA HB3 c 1 ATOM 103 H HB2 . CYS AAA 1 6 HB2 . CYS 6 -9.140 18.299 4.030 1.000 15.339 . 6 CYS AAA HB2 c 1 ATOM 104 S SG . CYS AAA 1 6 SG . CYS 6 -9.619 20.567 3.821 1.000 16.661 . 6 CYS AAA SG . 1 ATOM 105 C C . CYS AAA 1 6 C . CYS 6 -8.946 17.631 6.701 1.000 11.876 . 6 CYS AAA C . 1 ATOM 106 O O . CYS AAA 1 6 O . CYS 6 -9.896 17.507 7.471 1.000 11.856 . 6 CYS AAA O . 1 ATOM 108 N N . GLU AAA 1 7 N . GLU 7 -8.101 16.654 6.413 1.000 12.549 . 7 GLU AAA N . 1 ATOM 109 H H . GLU AAA 1 7 H . GLU 7 -7.447 16.730 5.783 1.000 12.268 . 7 GLU AAA H c 1 ATOM 110 C CA . GLU AAA 1 7 CA . GLU 7 -8.153 15.342 7.082 1.000 12.016 . 7 GLU AAA CA . 1 ATOM 111 H HA . GLU AAA 1 7 HA . GLU 7 -9.033 14.939 6.935 1.000 12.184 . 7 GLU AAA HA c 1 ATOM 112 C CB . GLU AAA 1 7 CB . GLU 7 -7.073 14.427 6.519 1.000 12.639 . 7 GLU AAA CB . 1 ATOM 113 H HB3 . GLU AAA 1 7 HB3 . GLU 7 -6.206 14.867 6.628 1.000 12.657 . 7 GLU AAA HB3 c 1 ATOM 114 H HB2 . GLU AAA 1 7 HB2 . GLU 7 -7.233 14.307 5.560 1.000 12.652 . 7 GLU AAA HB2 c 1 ATOM 115 C CG . GLU AAA 1 7 CG . GLU 7 -7.020 13.054 7.190 1.000 13.346 . 7 GLU AAA CG . 1 ATOM 116 H HG3 . GLU AAA 1 7 HG3 . GLU 7 -7.869 12.589 7.033 1.000 13.051 . 7 GLU AAA HG3 c 1 ATOM 117 H HG2 . GLU AAA 1 7 HG2 . GLU 7 -6.917 13.167 8.156 1.000 13.014 . 7 GLU AAA HG2 c 1 ATOM 118 C CD . GLU AAA 1 7 CD . GLU 7 -5.889 12.178 6.681 1.000 12.612 . 7 GLU AAA CD . 1 ATOM 119 O OE1 . GLU AAA 1 7 OE1 . GLU 7 -4.922 12.723 6.126 1.000 14.235 . 7 GLU AAA OE1 . 1 ATOM 120 O OE2 . GLU AAA 1 7 OE2 . GLU 7 -6.077 10.939 6.705 1.000 14.945 . 7 GLU AAA OE2 . 1 ATOM 121 C C . GLU AAA 1 7 C . GLU 7 -7.953 15.568 8.577 1.000 11.765 . 7 GLU AAA C . 1 ATOM 122 O O . GLU AAA 1 7 O . GLU 7 -8.696 15.007 9.384 1.000 12.645 . 7 GLU AAA O . 1 ATOM 124 N N . LEU AAA 1 8 N . LEU 8 -6.965 16.391 8.922 1.000 12.090 . 8 LEU AAA N . 1 ATOM 125 H H . LEU AAA 1 8 H . LEU 8 -6.431 16.829 8.329 1.000 11.977 . 8 LEU AAA H c 1 ATOM 126 C CA . LEU AAA 1 8 CA . LEU 8 -6.667 16.636 10.356 1.000 11.939 . 8 LEU AAA CA . 1 ATOM 127 H HA . LEU AAA 1 8 HA . LEU 8 -6.608 15.768 10.818 1.000 11.652 . 8 LEU AAA HA c 1 ATOM 128 C CB . LEU AAA 1 8 CB . LEU 8 -5.374 17.422 10.566 1.000 11.325 . 8 LEU AAA CB . 1 ATOM 129 H HB3 . LEU AAA 1 8 HB3 . LEU 8 -5.455 18.280 10.103 1.000 11.682 . 8 LEU AAA HB3 c 1 ATOM 130 H HB2 . LEU AAA 1 8 HB2 . LEU 8 -4.641 16.929 10.148 1.000 11.689 . 8 LEU AAA HB2 c 1 ATOM 131 C CG . LEU AAA 1 8 CG . LEU 8 -5.011 17.690 12.024 1.000 12.260 . 8 LEU AAA CG . 1 ATOM 132 H HG . LEU AAA 1 8 HG . LEU 8 -5.721 18.249 12.425 1.000 11.882 . 8 LEU AAA HG c 1 ATOM 133 C CD1 . LEU AAA 1 8 CD1 . LEU 8 -4.887 16.409 12.854 1.000 11.979 . 8 LEU AAA CD1 . 1 ATOM 134 H HD11 . LEU AAA 1 8 HD11 . LEU 8 -5.774 16.054 13.039 1.000 12.064 . 8 LEU AAA HD11 c 1 ATOM 135 H HD12 . LEU AAA 1 8 HD12 . LEU 8 -4.437 16.608 13.694 1.000 12.064 . 8 LEU AAA HD12 c 1 ATOM 136 H HD13 . LEU AAA 1 8 HD13 . LEU 8 -4.370 15.750 12.359 1.000 12.065 . 8 LEU AAA HD13 c 1 ATOM 137 C CD2 . LEU AAA 1 8 CD2 . LEU 8 -3.702 18.464 12.100 1.000 11.527 . 8 LEU AAA CD2 . 1 ATOM 138 H HD21 . LEU AAA 1 8 HD21 . LEU 8 -2.973 17.903 11.783 1.000 11.747 . 8 LEU AAA HD21 c 1 ATOM 139 H HD22 . LEU AAA 1 8 HD22 . LEU 8 -3.531 18.725 13.022 1.000 11.744 . 8 LEU AAA HD22 c 1 ATOM 140 H HD23 . LEU AAA 1 8 HD23 . LEU 8 -3.762 19.261 11.545 1.000 11.747 . 8 LEU AAA HD23 c 1 ATOM 141 C C . LEU AAA 1 8 C . LEU 8 -7.800 17.440 10.960 1.000 10.922 . 8 LEU AAA C . 1 ATOM 142 O O . LEU AAA 1 8 O . LEU 8 -8.214 17.139 12.105 1.000 12.261 . 8 LEU AAA O . 1 ATOM 144 N N . ALA AAA 1 9 N . ALA 9 -8.329 18.424 10.227 1.000 12.824 . 9 ALA AAA N . 1 ATOM 145 H H . ALA AAA 1 9 H . ALA 9 -8.054 18.662 9.392 1.000 12.049 . 9 ALA AAA H c 1 ATOM 146 C CA . ALA AAA 1 9 CA . ALA 9 -9.441 19.249 10.741 1.000 11.564 . 9 ALA AAA CA . 1 ATOM 147 H HA . ALA AAA 1 9 HA . ALA 9 -9.137 19.701 11.563 1.000 11.849 . 9 ALA AAA HA c 1 ATOM 148 C CB . ALA AAA 1 9 CB . ALA 9 -9.842 20.305 9.724 1.000 11.431 . 9 ALA AAA CB . 1 ATOM 149 H HB3 . ALA AAA 1 9 HB3 . ALA 9 -10.199 19.872 8.930 1.000 11.471 . 9 ALA AAA HB3 c 1 ATOM 150 H HB2 . ALA AAA 1 9 HB2 . ALA 9 -9.065 20.835 9.482 1.000 11.472 . 9 ALA AAA HB2 c 1 ATOM 151 H HB1 . ALA AAA 1 9 HB1 . ALA 9 -10.521 20.885 10.108 1.000 11.467 . 9 ALA AAA HB1 c 1 ATOM 152 C C . ALA AAA 1 9 C . ALA 9 -10.622 18.354 11.096 1.000 11.987 . 9 ALA AAA C . 1 ATOM 153 O O . ALA AAA 1 9 O . ALA 9 -11.261 18.534 12.132 1.000 11.294 . 9 ALA AAA O . 1 ATOM 155 N N . ALA AAA 1 10 N . ALA 10 -10.947 17.421 10.201 1.000 12.169 . 10 ALA AAA N . 1 ATOM 156 H H . ALA AAA 1 10 H . ALA 10 -10.514 17.287 9.410 1.000 12.118 . 10 ALA AAA H c 1 ATOM 157 C CA . ALA AAA 1 10 CA . ALA 10 -12.070 16.503 10.412 1.000 12.151 . 10 ALA AAA CA . 1 ATOM 158 H HA . ALA AAA 1 10 HA . ALA 10 -12.880 17.037 10.587 1.000 11.893 . 10 ALA AAA HA c 1 ATOM 159 C CB . ALA AAA 1 10 CB . ALA 10 -12.283 15.692 9.140 1.000 11.366 . 10 ALA AAA CB . 1 ATOM 160 H HB3 . ALA AAA 1 10 HB3 . ALA 10 -11.495 15.152 8.963 1.000 11.603 . 10 ALA AAA HB3 c 1 ATOM 161 H HB2 . ALA AAA 1 10 HB2 . ALA 10 -12.437 16.293 8.393 1.000 11.603 . 10 ALA AAA HB2 c 1 ATOM 162 H HB1 . ALA AAA 1 10 HB1 . ALA 10 -13.054 15.110 9.251 1.000 11.602 . 10 ALA AAA HB1 c 1 ATOM 163 C C . ALA AAA 1 10 C . ALA 10 -11.787 15.640 11.641 1.000 11.492 . 10 ALA AAA C . 1 ATOM 164 O O . ALA AAA 1 10 O . ALA 10 -12.706 15.419 12.446 1.000 11.764 . 10 ALA AAA O . 1 ATOM 166 N N . ALA AAA 1 11 N . ALA 11 -10.571 15.142 11.811 1.000 12.206 . 11 ALA AAA N . 1 ATOM 167 H H . ALA AAA 1 11 H . ALA 11 -9.866 15.295 11.256 1.000 12.068 . 11 ALA AAA H c 1 ATOM 168 C CA . ALA AAA 1 11 CA . ALA 11 -10.239 14.256 12.956 1.000 12.345 . 11 ALA AAA CA . 1 ATOM 169 H HA . ALA AAA 1 11 HA . ALA 11 -10.893 13.520 12.984 1.000 12.306 . 11 ALA AAA HA c 1 ATOM 170 C CB . ALA AAA 1 11 CB . ALA 11 -8.841 13.669 12.795 1.000 12.421 . 11 ALA AAA CB . 1 ATOM 171 H HB3 . ALA AAA 1 11 HB3 . ALA 11 -8.178 14.367 12.929 1.000 12.399 . 11 ALA AAA HB3 c 1 ATOM 172 H HB2 . ALA AAA 1 11 HB2 . ALA 11 -8.744 13.299 11.902 1.000 12.408 . 11 ALA AAA HB2 c 1 ATOM 173 H HB1 . ALA AAA 1 11 HB1 . ALA 11 -8.707 12.966 13.452 1.000 12.400 . 11 ALA AAA HB1 c 1 ATOM 174 C C . ALA AAA 1 11 C . ALA 11 -10.365 15.070 14.248 1.000 12.152 . 11 ALA AAA C . 1 ATOM 175 O O . ALA AAA 1 11 O . ALA 11 -10.915 14.556 15.253 1.000 12.436 . 11 ALA AAA O . 1 ATOM 177 N N . MET AAA 1 12 N . MET 12 -9.858 16.311 14.243 1.000 11.912 . 12 MET AAA N . 1 ATOM 178 H H . MET AAA 1 12 H . MET 12 -9.466 16.700 13.519 1.000 12.094 . 12 MET AAA H c 1 ATOM 179 C CA . MET AAA 1 12 CA . MET 12 -9.901 17.139 15.463 1.000 12.429 . 12 MET AAA CA . 1 ATOM 180 H HA . MET AAA 1 12 HA . MET 12 -9.523 16.615 16.207 1.000 12.523 . 12 MET AAA HA c 1 ATOM 181 C CB . MET AAA 1 12 CB . MET 12 -9.091 18.410 15.280 1.000 13.190 . 12 MET AAA CB . 1 ATOM 182 H HB3 . MET AAA 1 12 HB3 . MET 12 -9.270 19.007 16.034 1.000 12.940 . 12 MET AAA HB3 c 1 ATOM 183 H HB2 . MET AAA 1 12 HB2 . MET 12 -9.395 18.860 14.466 1.000 12.933 . 12 MET AAA HB2 c 1 ATOM 184 C CG . MET AAA 1 12 CG . MET 12 -7.597 18.173 15.183 1.000 12.913 . 12 MET AAA CG . 1 ATOM 185 H HG3 . MET AAA 1 12 HG3 . MET 12 -7.400 17.556 14.447 1.000 12.925 . 12 MET AAA HG3 c 1 ATOM 186 H HG2 . MET AAA 1 12 HG2 . MET 12 -7.265 17.782 16.019 1.000 12.926 . 12 MET AAA HG2 c 1 ATOM 187 S SD . MET AAA 1 12 SD . MET 12 -6.780 19.753 14.887 1.000 12.697 . 12 MET AAA SD . 1 ATOM 188 C CE . MET AAA 1 12 CE . MET 12 -5.144 19.474 15.579 1.000 14.041 . 12 MET AAA CE . 1 ATOM 189 H HE3 . MET AAA 1 12 HE3 . MET 12 -4.745 18.702 15.159 1.000 13.608 . 12 MET AAA HE3 c 1 ATOM 190 H HE2 . MET AAA 1 12 HE2 . MET 12 -5.218 19.322 16.529 1.000 13.608 . 12 MET AAA HE2 c 1 ATOM 191 H HE1 . MET AAA 1 12 HE1 . MET 12 -4.592 20.249 15.419 1.000 13.592 . 12 MET AAA HE1 c 1 ATOM 192 C C . MET AAA 1 12 C . MET 12 -11.344 17.505 15.806 1.000 12.710 . 12 MET AAA C . 1 ATOM 193 O O . MET AAA 1 12 O . MET 12 -11.680 17.506 17.011 1.000 12.963 . 12 MET AAA O . 1 ATOM 195 N N . LYS AAA 1 13 N . LYS 13 -12.162 17.774 14.800 1.000 13.305 . 13 LYS AAA N . 1 ATOM 196 H H . LYS AAA 1 13 H . LYS 13 -11.900 17.763 13.928 1.000 13.282 . 13 LYS AAA H c 1 ATOM 197 C CA . LYS AAA 1 13 CA . LYS 13 -13.591 18.132 15.012 1.000 13.818 . 13 LYS AAA CA . 1 ATOM 198 H HA . LYS AAA 1 13 HA . LYS 13 -13.637 18.871 15.659 1.000 13.885 . 13 LYS AAA HA c 1 ATOM 199 C CB . LYS AAA 1 13 CB . LYS 13 -14.238 18.571 13.704 1.000 14.624 . 13 LYS AAA CB . 1 ATOM 200 H HB3 . LYS AAA 1 13 HB3 . LYS 13 -14.113 17.865 13.036 1.000 14.712 . 13 LYS AAA HB3 c 1 ATOM 201 H HB2 . LYS AAA 1 13 HB2 . LYS 13 -13.785 19.378 13.383 1.000 14.708 . 13 LYS AAA HB2 c 1 ATOM 202 C CG . LYS AAA 1 13 CG . LYS 13 -15.717 18.860 13.839 1.000 15.901 . 13 LYS AAA CG . 1 ATOM 203 H HG3 . LYS AAA 1 13 HG3 . LYS 13 -15.868 19.374 14.660 1.000 15.686 . 13 LYS AAA HG3 c 1 ATOM 204 H HG2 . LYS AAA 1 13 HG2 . LYS 13 -16.202 18.011 13.920 1.000 15.685 . 13 LYS AAA HG2 c 1 ATOM 205 C CD . LYS AAA 1 13 CD . LYS 13 -16.261 19.622 12.674 1.000 16.328 . 13 LYS AAA CD . 1 ATOM 206 H HD3 . LYS AAA 1 13 HD3 . LYS 13 -16.169 19.086 11.858 1.000 16.567 . 13 LYS AAA HD3 c 1 ATOM 207 H HD2 . LYS AAA 1 13 HD2 . LYS 13 -15.753 20.453 12.560 1.000 16.577 . 13 LYS AAA HD2 c 1 ATOM 208 C CE . LYS AAA 1 13 CE . LYS 13 -17.723 19.952 12.900 1.000 17.823 . 13 LYS AAA CE . 1 ATOM 209 H HE3 . LYS AAA 1 13 HE3 . LYS 13 -17.812 20.477 13.718 1.000 17.789 . 13 LYS AAA HE3 c 1 ATOM 210 H HE2 . LYS AAA 1 13 HE2 . LYS 13 -18.225 19.124 13.022 1.000 17.789 . 13 LYS AAA HE2 c 1 ATOM 211 N NZ . LYS AAA 1 13 NZ . LYS 13 -18.322 20.711 11.783 1.000 19.295 . 13 LYS AAA NZ . 1 ATOM 212 H HZ1 . LYS AAA 1 13 HZ1 . LYS 13 -18.013 21.564 11.789 1.000 18.830 . 13 LYS AAA HZ1 c 1 ATOM 213 H HZ2 . LYS AAA 1 13 HZ2 . LYS 13 -19.225 20.722 11.867 1.000 18.830 . 13 LYS AAA HZ2 c 1 ATOM 214 H HZ3 . LYS AAA 1 13 HZ3 . LYS 13 -18.103 20.322 10.996 1.000 18.831 . 13 LYS AAA HZ3 c 1 ATOM 215 C C . LYS AAA 1 13 C . LYS 13 -14.307 16.912 15.596 1.000 13.896 . 13 LYS AAA C . 1 ATOM 216 O O . LYS AAA 1 13 O . LYS 13 -15.094 17.038 16.560 1.000 13.569 . 13 LYS AAA O . 1 ATOM 218 N N . ARG AAA 1 14 N . ARG 14 -14.061 15.737 15.030 1.000 14.089 . 14 ARG AAA N . 1 ATOM 219 H H . ARG AAA 1 14 H . ARG 14 -13.504 15.633 14.317 1.000 14.122 . 14 ARG AAA H c 1 ATOM 220 C CA . ARG AAA 1 14 CA . ARG 14 -14.688 14.488 15.509 1.000 14.415 . 14 ARG AAA CA . 1 ATOM 221 H HA . ARG AAA 1 14 HA . ARG 14 -15.664 14.611 15.462 1.000 14.496 . 14 ARG AAA HA c 1 ATOM 222 C CB . ARG AAA 1 14 CB . ARG 14 -14.317 13.341 14.580 1.000 15.076 . 14 ARG AAA CB . 1 ATOM 223 H HB3 . ARG AAA 1 14 HB3 . ARG 14 -13.339 13.292 14.523 1.000 15.163 . 14 ARG AAA HB3 c 1 ATOM 224 H HB2 . ARG AAA 1 14 HB2 . ARG 14 -14.658 13.543 13.684 1.000 15.163 . 14 ARG AAA HB2 c 1 ATOM 225 C CG . ARG AAA 1 14 CG . ARG 14 -14.850 11.984 15.011 1.000 16.148 . 14 ARG AAA CG . 1 ATOM 226 H HG3 . ARG AAA 1 14 HG3 . ARG 14 -15.793 12.071 15.266 1.000 15.881 . 14 ARG AAA HG3 c 1 ATOM 227 H HG2 . ARG AAA 1 14 HG2 . ARG 14 -14.351 11.670 15.795 1.000 15.870 . 14 ARG AAA HG2 c 1 ATOM 228 C CD . ARG AAA 1 14 CD . ARG 14 -14.731 10.963 13.914 1.000 16.041 . 14 ARG AAA CD . 1 ATOM 229 H HD3 . ARG AAA 1 14 HD3 . ARG 14 -15.280 11.234 13.148 1.000 16.426 . 14 ARG AAA HD3 c 1 ATOM 230 H HD2 . ARG AAA 1 14 HD2 . ARG 14 -15.050 10.094 14.234 1.000 16.434 . 14 ARG AAA HD2 c 1 ATOM 231 N NE . ARG AAA 1 14 NE . ARG 14 -13.332 10.870 13.512 1.000 17.617 . 14 ARG AAA NE . 1 ATOM 232 H HE . ARG AAA 1 14 HE . ARG 14 -13.088 11.308 12.798 1.000 17.228 . 14 ARG AAA HE c 1 ATOM 233 C CZ . ARG AAA 1 14 CZ . ARG 14 -12.410 10.160 14.135 1.000 17.319 . 14 ARG AAA CZ . 1 ATOM 234 N NH1 . ARG AAA 1 14 NH1 . ARG 14 -12.717 9.459 15.222 1.000 18.280 . 14 ARG AAA NH1 . 1 ATOM 235 H HH11 . ARG AAA 1 14 HH11 . ARG 14 -13.535 9.465 15.538 1.000 17.941 . 14 ARG AAA HH11 c 1 ATOM 236 H HH12 . ARG AAA 1 14 HH12 . ARG 14 -12.094 8.992 15.628 1.000 17.953 . 14 ARG AAA HH12 c 1 ATOM 237 N NH2 . ARG AAA 1 14 NH2 . ARG 14 -11.170 10.149 13.651 1.000 18.836 . 14 ARG AAA NH2 . 1 ATOM 238 H HH21 . ARG AAA 1 14 HH21 . ARG 14 -10.974 10.616 12.930 1.000 18.287 . 14 ARG AAA HH21 c 1 ATOM 239 H HH22 . ARG AAA 1 14 HH22 . ARG 14 -10.544 9.682 14.059 1.000 18.287 . 14 ARG AAA HH22 c 1 ATOM 240 C C . ARG AAA 1 14 C . ARG 14 -14.319 14.218 16.976 1.000 14.523 . 14 ARG AAA C . 1 ATOM 241 O O . ARG AAA 1 14 O . ARG 14 -15.170 13.749 17.740 1.000 15.020 . 14 ARG AAA O . 1 ATOM 243 N N . HIS AAA 1 15 N . HIS 15 -13.111 14.573 17.384 1.000 14.711 . 15 HIS AAA N . 1 ATOM 244 H H . HIS AAA 1 15 H . HIS 15 -12.484 14.975 16.860 1.000 14.916 . 15 HIS AAA H c 1 ATOM 245 C CA . HIS AAA 1 15 CA . HIS 15 -12.654 14.334 18.778 1.000 15.803 . 15 HIS AAA CA . 1 ATOM 246 H HA . HIS AAA 1 15 HA . HIS 15 -13.107 13.521 19.104 1.000 15.351 . 15 HIS AAA HA c 1 ATOM 247 C CB . HIS AAA 1 15 CB . HIS 15 -11.166 14.071 18.807 1.000 15.541 . 15 HIS AAA CB . 1 ATOM 248 H HB3 . HIS AAA 1 15 HB3 . HIS 15 -10.843 14.166 19.730 1.000 15.877 . 15 HIS AAA HB3 c 1 ATOM 249 H HB2 . HIS AAA 1 15 HB2 . HIS 15 -10.711 14.749 18.260 1.000 15.885 . 15 HIS AAA HB2 c 1 ATOM 250 C CG . HIS AAA 1 15 CG . HIS 15 -10.789 12.715 18.307 1.000 16.793 . 15 HIS AAA CG . 1 ATOM 251 N ND1 . HIS AAA 1 15 ND1 . HIS 15 -11.064 11.547 18.985 1.000 17.724 . 15 HIS AAA ND1 . 1 ATOM 252 H HD1 . HIS AAA 1 15 HD1 . HIS 15 -11.595 11.329 19.596 0.000 15.000 . 15 HIS AAA HD1 c 1 ATOM 253 C CE1 . HIS AAA 1 15 CE1 . HIS 15 -10.631 10.523 18.293 1.000 16.046 . 15 HIS AAA CE1 . 1 ATOM 254 H HE1 . HIS AAA 1 15 HE1 . HIS 15 -10.702 9.623 18.553 1.000 16.657 . 15 HIS AAA HE1 c 1 ATOM 255 N NE2 . HIS AAA 1 15 NE2 . HIS 15 -10.054 10.962 17.175 1.000 16.992 . 15 HIS AAA NE2 . 1 ATOM 256 H HE2 . HIS AAA 1 15 HE2 . HIS 15 -10.030 10.127 16.614 0.000 15.000 . 15 HIS AAA HE2 c 1 ATOM 257 C CD2 . HIS AAA 1 15 CD2 . HIS 15 -10.166 12.333 17.163 1.000 17.138 . 15 HIS AAA CD2 . 1 ATOM 258 H HD2 . HIS AAA 1 15 HD2 . HIS 15 -9.838 12.903 16.494 1.000 16.984 . 15 HIS AAA HD2 c 1 ATOM 259 C C . HIS AAA 1 15 C . HIS 15 -13.060 15.492 19.705 1.000 14.824 . 15 HIS AAA C . 1 ATOM 260 O O . HIS AAA 1 15 O . HIS 15 -12.580 15.529 20.858 1.000 15.027 . 15 HIS AAA O . 1 ATOM 262 N N . GLY AAA 1 16 N . GLY 16 -13.910 16.384 19.221 1.000 15.097 . 16 GLY AAA N . 1 ATOM 263 H H . GLY AAA 1 16 H . GLY 16 -14.246 16.343 18.380 1.000 15.056 . 16 GLY AAA H c 1 ATOM 264 C CA . GLY AAA 1 16 CA . GLY 16 -14.389 17.535 20.008 1.000 15.210 . 16 GLY AAA CA . 1 ATOM 265 H HA3 . GLY AAA 1 16 HA3 . GLY 16 -14.756 17.188 20.860 1.000 15.264 . 16 GLY AAA HA3 c 1 ATOM 266 H HA2 . GLY AAA 1 16 HA2 . GLY 16 -15.142 17.940 19.523 1.000 15.286 . 16 GLY AAA HA2 c 1 ATOM 267 C C . GLY AAA 1 16 C . GLY 16 -13.389 18.638 20.336 1.000 15.535 . 16 GLY AAA C . 1 ATOM 268 O O . GLY AAA 1 16 O . GLY 16 -13.559 19.295 21.373 1.000 15.734 . 16 GLY AAA O . 1 ATOM 270 N N . LEU AAA 1 17 N . LEU 17 -12.386 18.883 19.496 1.000 15.967 . 17 LEU AAA N . 1 ATOM 271 H H . LEU AAA 1 17 H . LEU 17 -12.250 18.412 18.728 1.000 15.615 . 17 LEU AAA H c 1 ATOM 272 C CA . LEU AAA 1 17 CA . LEU 17 -11.406 19.980 19.745 1.000 14.946 . 17 LEU AAA CA . 1 ATOM 273 H HA . LEU AAA 1 17 HA . LEU 17 -11.266 20.063 20.713 1.000 15.090 . 17 LEU AAA HA c 1 ATOM 274 C CB . LEU AAA 1 17 CB . LEU 17 -10.077 19.694 19.040 1.000 15.136 . 17 LEU AAA CB . 1 ATOM 275 H HB3 . LEU AAA 1 17 HB3 . LEU 17 -9.861 20.469 18.483 1.000 14.986 . 17 LEU AAA HB3 c 1 ATOM 276 H HB2 . LEU AAA 1 17 HB2 . LEU 17 -10.212 18.938 18.435 1.000 14.989 . 17 LEU AAA HB2 c 1 ATOM 277 C CG . LEU AAA 1 17 CG . LEU 17 -8.862 19.384 19.907 1.000 14.709 . 17 LEU AAA CG . 1 ATOM 278 H HG . LEU AAA 1 17 HG . LEU 17 -8.891 18.428 20.150 1.000 14.617 . 17 LEU AAA HG c 1 ATOM 279 C CD1 . LEU AAA 1 17 CD1 . LEU 17 -7.607 19.630 19.068 1.000 14.232 . 17 LEU AAA CD1 . 1 ATOM 280 H HD11 . LEU AAA 1 17 HD11 . LEU 17 -7.583 18.999 18.328 1.000 14.373 . 17 LEU AAA HD11 c 1 ATOM 281 H HD12 . LEU AAA 1 17 HD12 . LEU 17 -6.816 19.509 19.622 1.000 14.373 . 17 LEU AAA HD12 c 1 ATOM 282 H HD13 . LEU AAA 1 17 HD13 . LEU 17 -7.620 20.536 18.718 1.000 14.361 . 17 LEU AAA HD13 c 1 ATOM 283 C CD2 . LEU AAA 1 17 CD2 . LEU 17 -8.872 20.194 21.172 1.000 14.328 . 17 LEU AAA CD2 . 1 ATOM 284 H HD21 . LEU AAA 1 17 HD21 . LEU 17 -9.210 21.088 20.986 1.000 14.449 . 17 LEU AAA HD21 c 1 ATOM 285 H HD22 . LEU AAA 1 17 HD22 . LEU 17 -7.967 20.259 21.522 1.000 14.445 . 17 LEU AAA HD22 c 1 ATOM 286 H HD23 . LEU AAA 1 17 HD23 . LEU 17 -9.442 19.762 21.831 1.000 14.448 . 17 LEU AAA HD23 c 1 ATOM 287 C C . LEU AAA 1 17 C . LEU 17 -11.934 21.310 19.203 1.000 14.540 . 17 LEU AAA C . 1 ATOM 288 O O . LEU AAA 1 17 O . LEU 17 -11.505 22.325 19.674 1.000 15.271 . 17 LEU AAA O . 1 ATOM 290 N N . ASP AAA 1 18 N . ASP 18 -12.806 21.288 18.195 1.000 15.946 . 18 ASP AAA N . 1 ATOM 291 H H . ASP AAA 1 18 H . ASP 18 -13.086 20.517 17.802 1.000 15.330 . 18 ASP AAA H c 1 ATOM 292 C CA . ASP AAA 1 18 CA . ASP 18 -13.370 22.508 17.609 1.000 14.794 . 18 ASP AAA CA . 1 ATOM 293 H HA . ASP AAA 1 18 HA . ASP 18 -12.617 23.074 17.317 1.000 15.010 . 18 ASP AAA HA c 1 ATOM 294 C CB . ASP AAA 1 18 CB . ASP 18 -14.203 22.179 16.374 1.000 15.266 . 18 ASP AAA CB . 1 ATOM 295 H HB3 . ASP AAA 1 18 HB3 . ASP 18 -13.623 21.791 15.688 1.000 15.001 . 18 ASP AAA HB3 c 1 ATOM 296 H HB2 . ASP AAA 1 18 HB2 . ASP 18 -14.585 23.007 16.020 1.000 15.026 . 18 ASP AAA HB2 c 1 ATOM 297 C CG . ASP AAA 1 18 CG . ASP 18 -15.331 21.206 16.655 1.000 14.668 . 18 ASP AAA CG . 1 ATOM 298 O OD1 . ASP AAA 1 18 OD1 . ASP 18 -15.059 20.123 17.249 1.000 14.999 . 18 ASP AAA OD1 . 1 ATOM 299 O OD2 . ASP AAA 1 18 OD2 . ASP 18 -16.472 21.538 16.271 1.000 16.959 . 18 ASP AAA OD2 . 1 ATOM 300 C C . ASP AAA 1 18 C . ASP 18 -14.167 23.280 18.660 1.000 14.377 . 18 ASP AAA C . 1 ATOM 301 O O . ASP AAA 1 18 O . ASP 18 -15.122 22.736 19.247 1.000 13.167 . 18 ASP AAA O . 1 ATOM 303 N N . ASN AAA 1 19 N . ASN 19 -13.751 24.507 18.903 1.000 13.888 . 19 ASN AAA N . 1 ATOM 304 H H . ASN AAA 1 19 H . ASN 19 -13.051 24.885 18.459 1.000 14.190 . 19 ASN AAA H c 1 ATOM 305 C CA . ASN AAA 1 19 CA . ASN 19 -14.366 25.403 19.911 1.000 14.684 . 19 ASN AAA CA . 1 ATOM 306 H HA . ASN AAA 1 19 HA . ASN 19 -13.991 26.301 19.775 1.000 14.299 . 19 ASN AAA HA c 1 ATOM 307 C CB . ASN AAA 1 19 CB . ASN 19 -15.889 25.504 19.677 1.000 14.994 . 19 ASN AAA CB . 1 ATOM 308 H HB3 . ASN AAA 1 19 HB3 . ASN 19 -16.247 26.220 20.240 1.000 15.164 . 19 ASN AAA HB3 c 1 ATOM 309 H HB2 . ASN AAA 1 19 HB2 . ASN 19 -16.312 24.666 19.953 1.000 15.150 . 19 ASN AAA HB2 c 1 ATOM 310 C CG . ASN AAA 1 19 CG . ASN 19 -16.245 25.789 18.235 1.000 15.984 . 19 ASN AAA CG . 1 ATOM 311 O OD1 . ASN AAA 1 19 OD1 . ASN 19 -15.649 26.715 17.688 1.000 19.450 . 19 ASN AAA OD1 . 1 ATOM 312 N ND2 . ASN AAA 1 19 ND2 . ASN 19 -17.207 25.049 17.674 1.000 18.444 . 19 ASN AAA ND2 . 1 ATOM 313 H HD21 . ASN AAA 1 19 HD21 . ASN 19 -17.525 25.150 16.764 0.000 15.000 . 19 ASN AAA HD21 c 1 ATOM 314 H HD22 . ASN AAA 1 19 HD22 . ASN 19 -17.472 24.308 18.041 0.000 15.000 . 19 ASN AAA HD22 c 1 ATOM 315 C C . ASN AAA 1 19 C . ASN 19 -14.059 24.978 21.346 1.000 13.113 . 19 ASN AAA C . 1 ATOM 316 O O . ASN AAA 1 19 O . ASN 19 -14.662 25.505 22.288 1.000 12.906 . 19 ASN AAA O . 1 ATOM 318 N N . TYR AAA 1 20 N . TYR 20 -13.182 24.011 21.533 1.000 13.611 . 20 TYR AAA N . 1 ATOM 319 H H . TYR AAA 1 20 H . TYR 20 -12.724 23.579 20.878 1.000 13.603 . 20 TYR AAA H c 1 ATOM 320 C CA . TYR AAA 1 20 CA . TYR 20 -12.833 23.564 22.900 1.000 14.094 . 20 TYR AAA CA . 1 ATOM 321 H HA . TYR AAA 1 20 HA . TYR 20 -13.669 23.332 23.379 1.000 13.552 . 20 TYR AAA HA c 1 ATOM 322 C CB . TYR AAA 1 20 CB . TYR 20 -11.933 22.345 22.877 1.000 12.606 . 20 TYR AAA CB . 1 ATOM 323 H HB3 . TYR AAA 1 20 HB3 . TYR 20 -11.051 22.607 22.541 1.000 13.111 . 20 TYR AAA HB3 c 1 ATOM 324 H HB2 . TYR AAA 1 20 HB2 . TYR 20 -12.311 21.682 22.261 1.000 13.112 . 20 TYR AAA HB2 c 1 ATOM 325 C CG . TYR AAA 1 20 CG . TYR 20 -11.786 21.730 24.241 1.000 13.322 . 20 TYR AAA CG . 1 ATOM 326 C CD1 . TYR AAA 1 20 CD1 . TYR 20 -12.742 20.846 24.725 1.000 14.054 . 20 TYR AAA CD1 . 1 ATOM 327 H HD1 . TYR AAA 1 20 HD1 . TYR 20 -13.457 20.592 24.165 1.000 13.875 . 20 TYR AAA HD1 c 1 ATOM 328 C CE1 . TYR AAA 1 20 CE1 . TYR 20 -12.655 20.294 25.996 1.000 14.301 . 20 TYR AAA CE1 . 1 ATOM 329 H HE1 . TYR AAA 1 20 HE1 . TYR 20 -13.315 19.696 26.305 1.000 13.886 . 20 TYR AAA HE1 c 1 ATOM 330 C CZ . TYR AAA 1 20 CZ . TYR 20 -11.616 20.677 26.824 1.000 13.070 . 20 TYR AAA CZ . 1 ATOM 331 O OH . TYR AAA 1 20 OH . TYR 20 -11.548 20.162 28.095 1.000 13.546 . 20 TYR AAA OH . 1 ATOM 332 H HH . TYR AAA 1 20 HH . TYR 20 -11.508 19.379 28.181 0.000 15.000 . 20 TYR AAA HH c 1 ATOM 333 C CE2 . TYR AAA 1 20 CE2 . TYR 20 -10.675 21.594 26.375 1.000 13.602 . 20 TYR AAA CE2 . 1 ATOM 334 H HE2 . TYR AAA 1 20 HE2 . TYR 20 -9.953 21.830 26.934 1.000 13.267 . 20 TYR AAA HE2 c 1 ATOM 335 C CD2 . TYR AAA 1 20 CD2 . TYR 20 -10.730 22.088 25.071 1.000 12.628 . 20 TYR AAA CD2 . 1 ATOM 336 H HD2 . TYR AAA 1 20 HD2 . TYR 20 -10.100 22.728 24.784 1.000 13.056 . 20 TYR AAA HD2 c 1 ATOM 337 C C . TYR AAA 1 20 C . TYR 20 -12.161 24.721 23.630 1.000 13.288 . 20 TYR AAA C . 1 ATOM 338 O O . TYR AAA 1 20 O . TYR 20 -11.222 25.303 23.082 1.000 11.903 . 20 TYR AAA O . 1 ATOM 340 N N . ARG AAA 1 21 N . ARG 21 -12.637 25.034 24.835 1.000 14.090 . 21 ARG AAA N . 1 ATOM 341 H H . ARG AAA 1 21 H . ARG 21 -13.288 24.552 25.252 1.000 13.657 . 21 ARG AAA H c 1 ATOM 342 C CA . ARG AAA 1 21 CA . ARG 21 -12.145 26.203 25.618 1.000 13.080 . 21 ARG AAA CA . 1 ATOM 343 H HA . ARG AAA 1 21 HA . ARG 21 -12.731 26.317 26.400 1.000 13.277 . 21 ARG AAA HA c 1 ATOM 344 C CB . ARG AAA 1 21 CB . ARG 21 -10.713 25.953 26.105 1.000 13.388 . 21 ARG AAA CB . 1 ATOM 345 H HB3 . ARG AAA 1 21 HB3 . ARG 21 -10.330 26.806 26.397 1.000 13.496 . 21 ARG AAA HB3 c 1 ATOM 346 H HB2 . ARG AAA 1 21 HB2 . ARG 21 -10.178 25.631 25.351 1.000 13.488 . 21 ARG AAA HB2 c 1 ATOM 347 C CG . ARG AAA 1 21 CG . ARG 21 -10.591 24.951 27.251 1.000 14.154 . 21 ARG AAA CG . 1 ATOM 348 H HG3 . ARG AAA 1 21 HG3 . ARG 21 -9.650 24.708 27.374 1.000 14.087 . 21 ARG AAA HG3 c 1 ATOM 349 H HG2 . ARG AAA 1 21 HG2 . ARG 21 -11.090 24.139 27.027 1.000 14.088 . 21 ARG AAA HG2 c 1 ATOM 350 C CD . ARG AAA 1 21 CD . ARG 21 -11.131 25.521 28.559 1.000 14.688 . 21 ARG AAA CD . 1 ATOM 351 H HD3 . ARG AAA 1 21 HD3 . ARG 21 -11.119 24.807 29.227 1.000 15.004 . 21 ARG AAA HD3 c 1 ATOM 352 H HD2 . ARG AAA 1 21 HD2 . ARG 21 -12.067 25.781 28.428 1.000 14.977 . 21 ARG AAA HD2 c 1 ATOM 353 N NE . ARG AAA 1 21 NE . ARG 21 -10.407 26.658 29.101 0.500 16.449 . 21 ARG AAA NE . 1 ATOM 354 H HE . ARG AAA 1 21 HE . ARG 21 -9.931 27.134 28.549 0.500 16.351 . 21 ARG AAA HE c 1 ATOM 355 C CZ . ARG AAA 1 21 CZ . ARG 21 -10.417 27.040 30.387 0.500 17.616 . 21 ARG AAA CZ . 1 ATOM 356 N NH1 . ARG AAA 1 21 NH1 . ARG 21 -11.119 26.378 31.293 0.500 18.116 . 21 ARG AAA NH1 . 1 ATOM 357 H HH11 . ARG AAA 1 21 HH11 . ARG 21 -11.589 25.674 31.064 0.500 17.850 . 21 ARG AAA HH11 c 1 ATOM 358 H HH12 . ARG AAA 1 21 HH12 . ARG 21 -11.112 26.648 32.129 0.500 17.858 . 21 ARG AAA HH12 c 1 ATOM 359 N NH2 . ARG AAA 1 21 NH2 . ARG 21 -9.727 28.101 30.762 0.500 17.780 . 21 ARG AAA NH2 . 1 ATOM 360 H HH21 . ARG AAA 1 21 HH21 . ARG 21 -9.256 28.550 30.169 0.500 17.658 . 21 ARG AAA HH21 c 1 ATOM 361 H HH22 . ARG AAA 1 21 HH22 . ARG 21 -9.733 28.352 31.607 0.500 17.658 . 21 ARG AAA HH22 c 1 ATOM 362 C C . ARG AAA 1 21 C . ARG 21 -12.220 27.467 24.771 1.000 12.799 . 21 ARG AAA C . 1 ATOM 363 O O . ARG AAA 1 21 O . ARG 21 -11.405 28.377 24.981 1.000 12.169 . 21 ARG AAA O . 1 ATOM 365 N N . GLY AAA 1 22 N . GLY 22 -13.168 27.555 23.845 1.000 12.514 . 22 GLY AAA N . 1 ATOM 366 H H . GLY AAA 1 22 H . GLY 22 -13.755 26.883 23.664 1.000 12.348 . 22 GLY AAA H c 1 ATOM 367 C CA . GLY AAA 1 22 CA . GLY 22 -13.364 28.777 23.064 1.000 11.534 . 22 GLY AAA CA . 1 ATOM 368 H HA3 . GLY AAA 1 22 HA3 . GLY 22 -13.202 29.557 23.650 1.000 11.881 . 22 GLY AAA HA3 c 1 ATOM 369 H HA2 . GLY AAA 1 22 HA2 . GLY 22 -14.310 28.816 22.775 1.000 11.898 . 22 GLY AAA HA2 c 1 ATOM 370 C C . GLY AAA 1 22 C . GLY 22 -12.475 28.888 21.840 1.000 12.027 . 22 GLY AAA C . 1 ATOM 371 O O . GLY AAA 1 22 O . GLY 22 -12.548 29.908 21.119 1.000 11.877 . 22 GLY AAA O . 1 ATOM 373 N N . TYR AAA 1 23 N . TYR 23 -11.605 27.922 21.565 1.000 11.405 . 23 TYR AAA N . 1 ATOM 374 H H . TYR AAA 1 23 H . TYR 23 -11.528 27.154 22.046 1.000 11.386 . 23 TYR AAA H c 1 ATOM 375 C CA . TYR AAA 1 23 CA . TYR 23 -10.663 27.980 20.419 1.000 10.734 . 23 TYR AAA CA . 1 ATOM 376 H HA . TYR AAA 1 23 HA . TYR 23 -10.530 28.932 20.179 1.000 10.937 . 23 TYR AAA HA c 1 ATOM 377 C CB . TYR AAA 1 23 CB . TYR 23 -9.316 27.408 20.791 1.000 10.610 . 23 TYR AAA CB . 1 ATOM 378 H HB3 . TYR AAA 1 23 HB3 . TYR 23 -8.775 27.311 19.980 1.000 10.655 . 23 TYR AAA HB3 c 1 ATOM 379 H HB2 . TYR AAA 1 23 HB2 . TYR 23 -9.445 26.519 21.183 1.000 10.655 . 23 TYR AAA HB2 c 1 ATOM 380 C CG . TYR AAA 1 23 CG . TYR 23 -8.592 28.283 21.769 1.000 10.671 . 23 TYR AAA CG . 1 ATOM 381 C CD1 . TYR AAA 1 23 CD1 . TYR 23 -7.828 29.362 21.336 1.000 10.314 . 23 TYR AAA CD1 . 1 ATOM 382 H HD1 . TYR AAA 1 23 HD1 . TYR 23 -7.778 29.554 20.414 1.000 10.222 . 23 TYR AAA HD1 c 1 ATOM 383 C CE1 . TYR AAA 1 23 CE1 . TYR 23 -7.165 30.167 22.228 1.000 9.560 . 23 TYR AAA CE1 . 1 ATOM 384 H HE1 . TYR AAA 1 23 HE1 . TYR 23 -6.650 30.892 21.914 1.000 9.983 . 23 TYR AAA HE1 c 1 ATOM 385 C CZ . TYR AAA 1 23 CZ . TYR 23 -7.202 29.887 23.586 1.000 10.498 . 23 TYR AAA CZ . 1 ATOM 386 O OH . TYR AAA 1 23 OH . TYR 23 -6.523 30.742 24.424 1.000 9.375 . 23 TYR AAA OH . 1 ATOM 387 H HH . TYR AAA 1 23 HH . TYR 23 -6.654 31.499 24.460 0.000 15.000 . 23 TYR AAA HH c 1 ATOM 388 C CE2 . TYR AAA 1 23 CE2 . TYR 23 -7.974 28.830 24.043 1.000 10.548 . 23 TYR AAA CE2 . 1 ATOM 389 H HE2 . TYR AAA 1 23 HE2 . TYR 23 -8.013 28.640 24.965 1.000 10.519 . 23 TYR AAA HE2 c 1 ATOM 390 C CD2 . TYR AAA 1 23 CD2 . TYR 23 -8.645 28.016 23.136 1.000 10.612 . 23 TYR AAA CD2 . 1 ATOM 391 H HD2 . TYR AAA 1 23 HD2 . TYR 23 -9.153 27.288 23.451 1.000 10.571 . 23 TYR AAA HD2 c 1 ATOM 392 C C . TYR AAA 1 23 C . TYR 23 -11.271 27.275 19.211 1.000 11.189 . 23 TYR AAA C . 1 ATOM 393 O O . TYR AAA 1 23 O . TYR 23 -11.434 26.094 19.165 1.000 11.349 . 23 TYR AAA O . 1 ATOM 395 N N . SER AAA 1 24 N . SER 24 -11.593 28.062 18.204 1.000 11.039 . 24 SER AAA N . 1 ATOM 396 H H . SER AAA 1 24 H . SER 24 -11.507 28.970 18.213 1.000 11.125 . 24 SER AAA H c 1 ATOM 397 C CA . SER AAA 1 24 CA . SER 24 -12.141 27.545 16.932 1.000 11.247 . 24 SER AAA CA . 1 ATOM 398 H HA . SER AAA 1 24 HA . SER 24 -12.999 27.090 17.147 1.000 11.354 . 24 SER AAA HA c 1 ATOM 399 C CB . SER AAA 1 24 CB . SER 24 -12.452 28.680 15.974 1.000 12.252 . 24 SER AAA CB . 1 ATOM 400 H HB3 . SER AAA 1 24 HB3 . SER 24 -13.051 29.322 16.418 1.000 11.572 . 24 SER AAA HB3 c 1 ATOM 401 H HB2 . SER AAA 1 24 HB2 . SER 24 -12.924 28.319 15.190 1.000 11.572 . 24 SER AAA HB2 c 1 ATOM 402 O OG . SER AAA 1 24 OG . SER 24 -11.277 29.357 15.542 1.000 10.474 . 24 SER AAA OG . 1 ATOM 403 H HG . SER AAA 1 24 HG . SER 24 -11.535 29.797 14.736 0.000 15.000 . 24 SER AAA HG c 1 ATOM 404 C C . SER AAA 1 24 C . SER 24 -11.214 26.498 16.297 1.000 11.056 . 24 SER AAA C . 1 ATOM 405 O O . SER AAA 1 24 O . SER 24 -10.000 26.541 16.539 1.000 10.202 . 24 SER AAA O . 1 ATOM 407 N N . LEU AAA 1 25 N . LEU 25 -11.770 25.637 15.451 1.000 10.217 . 25 LEU AAA N . 1 ATOM 408 H H . LEU AAA 1 25 H . LEU 25 -12.657 25.654 15.245 1.000 10.486 . 25 LEU AAA H c 1 ATOM 409 C CA . LEU AAA 1 25 CA . LEU 25 -11.000 24.568 14.758 1.000 10.534 . 25 LEU AAA CA . 1 ATOM 410 H HA . LEU AAA 1 25 HA . LEU 25 -10.689 23.939 15.448 1.000 10.511 . 25 LEU AAA HA c 1 ATOM 411 C CB . LEU AAA 1 25 CB . LEU 25 -11.913 23.821 13.798 1.000 10.766 . 25 LEU AAA CB . 1 ATOM 412 H HB3 . LEU AAA 1 25 HB3 . LEU 25 -12.154 24.433 13.074 1.000 10.611 . 25 LEU AAA HB3 c 1 ATOM 413 H HB2 . LEU AAA 1 25 HB2 . LEU 25 -12.737 23.599 14.276 1.000 10.609 . 25 LEU AAA HB2 c 1 ATOM 414 C CG . LEU AAA 1 25 CG . LEU 25 -11.365 22.527 13.167 1.000 10.347 . 25 LEU AAA CG . 1 ATOM 415 H HG . LEU AAA 1 25 HG . LEU 25 -10.630 22.765 12.550 1.000 10.216 . 25 LEU AAA HG c 1 ATOM 416 C CD1 . LEU AAA 1 25 CD1 . LEU 25 -10.817 21.600 14.236 1.000 10.212 . 25 LEU AAA CD1 . 1 ATOM 417 H HD11 . LEU AAA 1 25 HD11 . LEU 25 -9.906 21.862 14.457 1.000 10.257 . 25 LEU AAA HD11 c 1 ATOM 418 H HD12 . LEU AAA 1 25 HD12 . LEU 25 -10.819 20.685 13.905 1.000 10.260 . 25 LEU AAA HD12 c 1 ATOM 419 H HD13 . LEU AAA 1 25 HD13 . LEU 25 -11.372 21.658 15.033 1.000 10.265 . 25 LEU AAA HD13 c 1 ATOM 420 C CD2 . LEU AAA 1 25 CD2 . LEU 25 -12.488 21.870 12.357 1.000 9.363 . 25 LEU AAA CD2 . 1 ATOM 421 H HD21 . LEU AAA 1 25 HD21 . LEU 25 -13.187 21.564 12.960 1.000 9.674 . 25 LEU AAA HD21 c 1 ATOM 422 H HD22 . LEU AAA 1 25 HD22 . LEU 25 -12.131 21.111 11.863 1.000 9.669 . 25 LEU AAA HD22 c 1 ATOM 423 H HD23 . LEU AAA 1 25 HD23 . LEU 25 -12.859 22.518 11.734 1.000 9.685 . 25 LEU AAA HD23 c 1 ATOM 424 C C . LEU AAA 1 25 C . LEU 25 -9.765 25.119 14.042 1.000 10.516 . 25 LEU AAA C . 1 ATOM 425 O O . LEU AAA 1 25 O . LEU 25 -8.725 24.443 14.044 1.000 9.631 . 25 LEU AAA O . 1 ATOM 427 N N . GLY AAA 1 26 N . GLY 26 -9.833 26.293 13.412 1.000 9.846 . 26 GLY AAA N . 1 ATOM 428 H H . GLY AAA 1 26 H . GLY 26 -10.581 26.812 13.408 1.000 10.030 . 26 GLY AAA H c 1 ATOM 429 C CA . GLY AAA 1 26 CA . GLY 26 -8.684 26.839 12.663 1.000 9.970 . 26 GLY AAA CA . 1 ATOM 430 H HA3 . GLY AAA 1 26 HA3 . GLY 26 -8.958 27.684 12.229 1.000 9.919 . 26 GLY AAA HA3 c 1 ATOM 431 H HA2 . GLY AAA 1 26 HA2 . GLY 26 -8.429 26.197 11.953 1.000 9.908 . 26 GLY AAA HA2 c 1 ATOM 432 C C . GLY AAA 1 26 C . GLY 26 -7.488 27.099 13.560 1.000 9.822 . 26 GLY AAA C . 1 ATOM 433 O O . GLY AAA 1 26 O . GLY 26 -6.343 27.000 13.108 1.000 9.553 . 26 GLY AAA O . 1 ATOM 435 N N . ASN AAA 1 27 N . ASN 27 -7.732 27.417 14.822 1.000 10.473 . 27 ASN AAA N . 1 ATOM 436 H H . ASN AAA 1 27 H . ASN 27 -8.574 27.517 15.153 1.000 10.366 . 27 ASN AAA H c 1 ATOM 437 C CA . ASN AAA 1 27 CA . ASN 27 -6.668 27.661 15.802 1.000 10.705 . 27 ASN AAA CA . 1 ATOM 438 H HA . ASN AAA 1 27 HA . ASN 27 -6.071 28.360 15.444 1.000 10.527 . 27 ASN AAA HA c 1 ATOM 439 C CB . ASN AAA 1 27 CB . ASN 27 -7.229 28.161 17.139 1.000 10.189 . 27 ASN AAA CB . 1 ATOM 440 H HB3 . ASN AAA 1 27 HB3 . ASN 27 -6.571 27.992 17.842 1.000 10.145 . 27 ASN AAA HB3 c 1 ATOM 441 H HB2 . ASN AAA 1 27 HB2 . ASN 27 -8.040 27.660 17.355 1.000 10.143 . 27 ASN AAA HB2 c 1 ATOM 442 C CG . ASN AAA 1 27 CG . ASN 27 -7.549 29.647 17.108 1.000 9.511 . 27 ASN AAA CG . 1 ATOM 443 O OD1 . ASN AAA 1 27 OD1 . ASN 27 -6.628 30.463 17.139 1.000 10.167 . 27 ASN AAA OD1 . 1 ATOM 444 N ND2 . ASN AAA 1 27 ND2 . ASN 27 -8.842 30.020 17.087 1.000 8.638 . 27 ASN AAA ND2 . 1 ATOM 445 H HD21 . ASN AAA 1 27 HD21 . ASN 27 -9.017 30.917 17.533 0.000 15.000 . 27 ASN AAA HD21 c 1 ATOM 446 H HD22 . ASN AAA 1 27 HD22 . ASN 27 -9.441 29.487 17.189 0.000 15.000 . 27 ASN AAA HD22 c 1 ATOM 447 C C . ASN AAA 1 27 C . ASN 27 -5.852 26.391 16.023 1.000 10.553 . 27 ASN AAA C . 1 ATOM 448 O O . ASN AAA 1 27 O . ASN 27 -4.616 26.491 16.095 1.000 10.110 . 27 ASN AAA O . 1 ATOM 450 N N . TRP AAA 1 28 N . TRP 28 -6.546 25.254 16.111 1.000 9.854 . 28 TRP AAA N . 1 ATOM 451 H H . TRP AAA 1 28 H . TRP 28 -7.453 25.213 16.034 1.000 10.085 . 28 TRP AAA H c 1 ATOM 452 C CA . TRP AAA 1 28 CA . TRP 28 -5.911 23.958 16.338 1.000 10.145 . 28 TRP AAA CA . 1 ATOM 453 H HA . TRP AAA 1 28 HA . TRP 28 -5.268 24.077 17.075 1.000 10.004 . 28 TRP AAA HA c 1 ATOM 454 C CB . TRP AAA 1 28 CB . TRP 28 -6.936 22.907 16.796 1.000 9.811 . 28 TRP AAA CB . 1 ATOM 455 H HB3 . TRP AAA 1 28 HB3 . TRP 28 -6.477 22.048 16.899 1.000 9.999 . 28 TRP AAA HB3 c 1 ATOM 456 H HB2 . TRP AAA 1 28 HB2 . TRP 28 -7.615 22.807 16.098 1.000 9.996 . 28 TRP AAA HB2 c 1 ATOM 457 C CG . TRP AAA 1 28 CG . TRP 28 -7.599 23.270 18.083 1.000 10.269 . 28 TRP AAA CG . 1 ATOM 458 C CD1 . TRP AAA 1 28 CD1 . TRP 28 -8.831 23.851 18.285 1.000 10.685 . 28 TRP AAA CD1 . 1 ATOM 459 H HD1 . TRP AAA 1 28 HD1 . TRP 28 -9.462 24.041 17.607 1.000 10.752 . 28 TRP AAA HD1 c 1 ATOM 460 N NE1 . TRP AAA 1 28 NE1 . TRP 28 -9.033 24.083 19.623 1.000 11.446 . 28 TRP AAA NE1 . 1 ATOM 461 H HE1 . TRP AAA 1 28 HE1 . TRP 28 -9.754 24.432 19.977 1.000 10.941 . 28 TRP AAA HE1 c 1 ATOM 462 C CE2 . TRP AAA 1 28 CE2 . TRP 28 -7.924 23.693 20.302 1.000 10.253 . 28 TRP AAA CE2 . 1 ATOM 463 C CD2 . TRP AAA 1 28 CD2 . TRP 28 -7.001 23.166 19.375 1.000 10.151 . 28 TRP AAA CD2 . 1 ATOM 464 C CE3 . TRP AAA 1 28 CE3 . TRP 28 -5.751 22.737 19.831 1.000 10.258 . 28 TRP AAA CE3 . 1 ATOM 465 H HE3 . TRP AAA 1 28 HE3 . TRP 28 -5.122 22.379 19.225 1.000 10.437 . 28 TRP AAA HE3 c 1 ATOM 466 C CZ3 . TRP AAA 1 28 CZ3 . TRP 28 -5.492 22.734 21.194 1.000 10.939 . 28 TRP AAA CZ3 . 1 ATOM 467 H HZ3 . TRP AAA 1 28 HZ3 . TRP 28 -4.654 22.439 21.514 1.000 10.885 . 28 TRP AAA HZ3 c 1 ATOM 468 C CH2 . TRP AAA 1 28 CH2 . TRP 28 -6.433 23.263 22.089 1.000 11.553 . 28 TRP AAA CH2 . 1 ATOM 469 H HH2 . TRP AAA 1 28 HH2 . TRP 28 -6.231 23.278 23.007 1.000 11.220 . 28 TRP AAA HH2 c 1 ATOM 470 C CZ2 . TRP AAA 1 28 CZ2 . TRP 28 -7.641 23.756 21.665 1.000 11.122 . 28 TRP AAA CZ2 . 1 ATOM 471 H HZ2 . TRP AAA 1 28 HZ2 . TRP 28 -8.283 24.069 22.278 1.000 10.966 . 28 TRP AAA HZ2 c 1 ATOM 472 C C . TRP AAA 1 28 C . TRP 28 -5.139 23.478 15.115 1.000 10.034 . 28 TRP AAA C . 1 ATOM 473 O O . TRP AAA 1 28 O . TRP 28 -4.078 22.878 15.282 1.000 9.675 . 28 TRP AAA O . 1 ATOM 475 N N . VAL AAA 1 29 N . VAL 29 -5.723 23.696 13.941 1.000 8.748 . 29 VAL AAA N . 1 ATOM 476 H H . VAL AAA 1 29 H . VAL 29 -6.522 24.121 13.839 1.000 9.139 . 29 VAL AAA H c 1 ATOM 477 C CA . VAL AAA 1 29 CA . VAL 29 -5.096 23.246 12.687 1.000 9.169 . 29 VAL AAA CA . 1 ATOM 478 H HA . VAL AAA 1 29 HA . VAL 29 -4.836 22.314 12.799 1.000 9.057 . 29 VAL AAA HA c 1 ATOM 479 C CB . VAL AAA 1 29 CB . VAL 29 -6.053 23.333 11.490 1.000 9.197 . 29 VAL AAA CB . 1 ATOM 480 H HB . VAL AAA 1 29 HB . VAL 29 -6.396 24.258 11.430 1.000 9.187 . 29 VAL AAA HB c 1 ATOM 481 C CG1 . VAL AAA 1 29 CG1 . VAL 29 -5.290 23.006 10.205 1.000 9.416 . 29 VAL AAA CG1 . 1 ATOM 482 H HG11 . VAL AAA 1 29 HG11 . VAL 29 -4.807 23.795 9.903 1.000 9.357 . 29 VAL AAA HG11 c 1 ATOM 483 H HG12 . VAL AAA 1 29 HG12 . VAL 29 -5.918 22.730 9.515 1.000 9.348 . 29 VAL AAA HG12 c 1 ATOM 484 H HG13 . VAL AAA 1 29 HG13 . VAL 29 -4.659 22.285 10.375 1.000 9.349 . 29 VAL AAA HG13 c 1 ATOM 485 C CG2 . VAL AAA 1 29 CG2 . VAL 29 -7.227 22.387 11.650 1.000 8.960 . 29 VAL AAA CG2 . 1 ATOM 486 H HG21 . VAL AAA 1 29 HG21 . VAL 29 -6.907 21.468 11.640 1.000 9.032 . 29 VAL AAA HG21 c 1 ATOM 487 H HG22 . VAL AAA 1 29 HG22 . VAL 29 -7.852 22.519 10.917 1.000 9.033 . 29 VAL AAA HG22 c 1 ATOM 488 H HG23 . VAL AAA 1 29 HG23 . VAL 29 -7.676 22.564 12.494 1.000 9.033 . 29 VAL AAA HG23 c 1 ATOM 489 C C . VAL AAA 1 29 C . VAL 29 -3.815 24.083 12.516 1.000 8.966 . 29 VAL AAA C . 1 ATOM 490 O O . VAL AAA 1 29 O . VAL 29 -2.766 23.555 12.099 1.000 8.793 . 29 VAL AAA O . 1 ATOM 492 N N . CYS AAA 1 30 N . CYS 30 -3.905 25.389 12.733 1.000 9.031 . 30 CYS AAA N . 1 ATOM 493 H H . CYS AAA 1 30 H . CYS 30 -4.665 25.820 12.992 1.000 9.108 . 30 CYS AAA H c 1 ATOM 494 C CA . CYS AAA 1 30 CA . CYS 30 -2.752 26.290 12.559 1.000 9.419 . 30 CYS AAA CA . 1 ATOM 495 H HA . CYS AAA 1 30 HA . CYS 30 -2.418 26.208 11.636 1.000 9.518 . 30 CYS AAA HA c 1 ATOM 496 C CB . CYS AAA 1 30 CB . CYS 30 -3.171 27.749 12.826 1.000 10.493 . 30 CYS AAA CB . 1 ATOM 497 H HB3 . CYS AAA 1 30 HB3 . CYS 30 -3.501 27.817 13.745 1.000 10.326 . 30 CYS AAA HB3 c 1 ATOM 498 H HB2 . CYS AAA 1 30 HB2 . CYS 30 -3.912 27.977 12.229 1.000 10.331 . 30 CYS AAA HB2 c 1 ATOM 499 S SG . CYS AAA 1 30 SG . CYS 30 -1.860 28.995 12.601 1.000 10.909 . 30 CYS AAA SG . 1 ATOM 500 C C . CYS AAA 1 30 C . CYS 30 -1.665 25.879 13.532 1.000 9.326 . 30 CYS AAA C . 1 ATOM 501 O O . CYS AAA 1 30 O . CYS 30 -0.519 25.754 13.142 1.000 9.199 . 30 CYS AAA O . 1 ATOM 503 N N . ALA AAA 1 31 N . ALA 31 -2.006 25.669 14.790 1.000 9.394 . 31 ALA AAA N . 1 ATOM 504 H H . ALA AAA 1 31 H . ALA 31 -2.846 25.782 15.125 1.000 9.443 . 31 ALA AAA H c 1 ATOM 505 C CA . ALA AAA 1 31 CA . ALA 31 -1.029 25.228 15.800 1.000 9.672 . 31 ALA AAA CA . 1 ATOM 506 H HA . ALA AAA 1 31 HA . ALA 31 -0.342 25.929 15.895 1.000 9.572 . 31 ALA AAA HA c 1 ATOM 507 C CB . ALA AAA 1 31 CB . ALA 31 -1.706 25.027 17.132 1.000 9.892 . 31 ALA AAA CB . 1 ATOM 508 H HB3 . ALA AAA 1 31 HB3 . ALA 31 -2.429 24.385 17.036 1.000 9.823 . 31 ALA AAA HB3 c 1 ATOM 509 H HB2 . ALA AAA 1 31 HB2 . ALA 31 -2.067 25.874 17.444 1.000 9.823 . 31 ALA AAA HB2 c 1 ATOM 510 H HB1 . ALA AAA 1 31 HB1 . ALA 31 -1.061 24.694 17.778 1.000 9.822 . 31 ALA AAA HB1 c 1 ATOM 511 C C . ALA AAA 1 31 C . ALA 31 -0.346 23.942 15.340 1.000 9.218 . 31 ALA AAA C . 1 ATOM 512 O O . ALA AAA 1 31 O . ALA 31 0.862 23.860 15.382 1.000 9.769 . 31 ALA AAA O . 1 ATOM 514 N N . ALA AAA 1 32 N . ALA 32 -1.115 22.956 14.910 1.000 9.248 . 32 ALA AAA N . 1 ATOM 515 H H . ALA AAA 1 32 H . ALA 32 -2.024 23.002 14.874 1.000 9.294 . 32 ALA AAA H c 1 ATOM 516 C CA . ALA AAA 1 32 CA . ALA 32 -0.583 21.645 14.438 1.000 9.461 . 32 ALA AAA CA . 1 ATOM 517 H HA . ALA AAA 1 32 HA . ALA 32 -0.072 21.235 15.173 1.000 9.483 . 32 ALA AAA HA c 1 ATOM 518 C CB . ALA AAA 1 32 CB . ALA 32 -1.755 20.746 14.102 1.000 9.664 . 32 ALA AAA CB . 1 ATOM 519 H HB3 . ALA AAA 1 32 HB3 . ALA 32 -2.285 21.153 13.396 1.000 9.602 . 32 ALA AAA HB3 c 1 ATOM 520 H HB2 . ALA AAA 1 32 HB2 . ALA 32 -2.308 20.625 14.892 1.000 9.609 . 32 ALA AAA HB2 c 1 ATOM 521 H HB1 . ALA AAA 1 32 HB1 . ALA 32 -1.427 19.882 13.802 1.000 9.603 . 32 ALA AAA HB1 c 1 ATOM 522 C C . ALA AAA 1 32 C . ALA 32 0.346 21.828 13.259 1.000 9.579 . 32 ALA AAA C . 1 ATOM 523 O O . ALA AAA 1 32 O . ALA 32 1.410 21.190 13.182 1.000 9.345 . 32 ALA AAA O . 1 ATOM 525 N N . LYS AAA 1 33 N . LYS 33 -0.008 22.735 12.347 1.000 10.465 . 33 LYS AAA N . 1 ATOM 526 H H . LYS AAA 1 33 H . LYS 33 -0.777 23.222 12.391 1.000 10.190 . 33 LYS AAA H c 1 ATOM 527 C CA . LYS AAA 1 33 CA . LYS 33 0.841 23.011 11.161 1.000 10.197 . 33 LYS AAA CA . 1 ATOM 528 H HA . LYS AAA 1 33 HA . LYS 33 0.932 22.181 10.638 1.000 10.497 . 33 LYS AAA HA c 1 ATOM 529 C CB . LYS AAA 1 33 CB . LYS 33 0.217 24.083 10.291 1.000 11.466 . 33 LYS AAA CB . 1 ATOM 530 H HB3 . LYS AAA 1 33 HB3 . LYS 33 -0.033 24.842 10.855 1.000 11.578 . 33 LYS AAA HB3 c 1 ATOM 531 H HB2 . LYS AAA 1 33 HB2 . LYS 33 -0.601 23.724 9.887 1.000 11.585 . 33 LYS AAA HB2 c 1 ATOM 532 C CG . LYS AAA 1 33 CG . LYS 33 1.133 24.577 9.186 1.000 13.477 . 33 LYS AAA CG . 1 ATOM 533 H HG3 . LYS AAA 1 33 HG3 . LYS 33 1.973 24.876 9.593 1.000 13.401 . 33 LYS AAA HG3 c 1 ATOM 534 H HG2 . LYS AAA 1 33 HG2 . LYS 33 0.724 25.360 8.775 1.000 13.428 . 33 LYS AAA HG2 c 1 ATOM 535 C CD . LYS AAA 1 33 CD . LYS 33 1.466 23.574 8.080 1.000 15.481 . 33 LYS AAA CD . 1 ATOM 536 H HD3 . LYS AAA 1 33 HD3 . LYS 33 0.630 23.230 7.699 1.000 15.459 . 33 LYS AAA HD3 c 1 ATOM 537 H HD2 . LYS AAA 1 33 HD2 . LYS 33 1.951 22.817 8.472 1.000 15.464 . 33 LYS AAA HD2 c 1 ATOM 538 C CE . LYS AAA 1 33 CE . LYS 33 2.306 24.168 6.961 1.000 17.673 . 33 LYS AAA CE . 1 ATOM 539 H HE3 . LYS AAA 1 33 HE3 . LYS 33 3.080 24.623 7.342 1.000 17.389 . 33 LYS AAA HE3 c 1 ATOM 540 H HE2 . LYS AAA 1 33 HE2 . LYS 33 1.778 24.828 6.473 1.000 17.372 . 33 LYS AAA HE2 c 1 ATOM 541 N NZ . LYS AAA 1 33 NZ . LYS 33 2.780 23.120 6.002 1.000 18.743 . 33 LYS AAA NZ . 1 ATOM 542 H HZ1 . LYS AAA 1 33 HZ1 . LYS 33 3.173 22.441 6.458 1.000 18.394 . 33 LYS AAA HZ1 c 1 ATOM 543 H HZ2 . LYS AAA 1 33 HZ2 . LYS 33 3.382 23.479 5.427 1.000 18.404 . 33 LYS AAA HZ2 c 1 ATOM 544 H HZ3 . LYS AAA 1 33 HZ3 . LYS 33 2.077 22.793 5.531 1.000 18.404 . 33 LYS AAA HZ3 c 1 ATOM 545 C C . LYS AAA 1 33 C . LYS 33 2.217 23.475 11.598 1.000 10.304 . 33 LYS AAA C . 1 ATOM 546 O O . LYS AAA 1 33 O . LYS 33 3.208 22.876 11.195 1.000 9.106 . 33 LYS AAA O . 1 ATOM 548 N N . PHE AAA 1 34 N . PHE 34 2.297 24.468 12.465 1.000 11.238 . 34 PHE AAA N . 1 ATOM 549 H H . PHE AAA 1 34 H . PHE 34 1.593 24.869 12.882 1.000 10.884 . 34 PHE AAA H c 1 ATOM 550 C CA . PHE AAA 1 34 CA . PHE 34 3.614 25.011 12.836 1.000 10.692 . 34 PHE AAA CA . 1 ATOM 551 H HA . PHE AAA 1 34 HA . PHE 34 4.193 24.959 12.036 1.000 10.918 . 34 PHE AAA HA c 1 ATOM 552 C CB . PHE AAA 1 34 CB . PHE 34 3.474 26.479 13.208 1.000 11.458 . 34 PHE AAA CB . 1 ATOM 553 H HB3 . PHE AAA 1 34 HB3 . PHE 34 4.343 26.819 13.506 1.000 11.182 . 34 PHE AAA HB3 c 1 ATOM 554 H HB2 . PHE AAA 1 34 HB2 . PHE 34 2.838 26.564 13.949 1.000 11.185 . 34 PHE AAA HB2 c 1 ATOM 555 C CG . PHE AAA 1 34 CG . PHE 34 2.995 27.284 12.040 1.000 11.071 . 34 PHE AAA CG . 1 ATOM 556 C CD1 . PHE AAA 1 34 CD1 . PHE 34 3.644 27.174 10.812 1.000 11.644 . 34 PHE AAA CD1 . 1 ATOM 557 H HD1 . PHE AAA 1 34 HD1 . PHE 34 4.391 26.606 10.721 1.000 11.577 . 34 PHE AAA HD1 c 1 ATOM 558 C CE1 . PHE AAA 1 34 CE1 . PHE 34 3.230 27.948 9.744 1.000 11.869 . 34 PHE AAA CE1 . 1 ATOM 559 H HE1 . PHE AAA 1 34 HE1 . PHE 34 3.659 27.856 8.909 1.000 11.724 . 34 PHE AAA HE1 c 1 ATOM 560 C CZ . PHE AAA 1 34 CZ . PHE 34 2.134 28.767 9.857 1.000 11.467 . 34 PHE AAA CZ . 1 ATOM 561 H HZ . PHE AAA 1 34 HZ . PHE 34 1.853 29.284 9.118 1.000 11.727 . 34 PHE AAA HZ c 1 ATOM 562 C CD2 . PHE AAA 1 34 CD2 . PHE 34 1.939 28.158 12.164 1.000 12.271 . 34 PHE AAA CD2 . 1 ATOM 563 H HD2 . PHE AAA 1 34 HD2 . PHE 34 1.483 28.217 12.989 1.000 11.934 . 34 PHE AAA HD2 c 1 ATOM 564 C CE2 . PHE AAA 1 34 CE2 . PHE 34 1.479 28.887 11.080 1.000 12.194 . 34 PHE AAA CE2 . 1 ATOM 565 H HE2 . PHE AAA 1 34 HE2 . PHE 34 0.747 29.475 11.175 1.000 12.001 . 34 PHE AAA HE2 c 1 ATOM 566 C C . PHE AAA 1 34 C . PHE 34 4.324 24.229 13.953 1.000 10.605 . 34 PHE AAA C . 1 ATOM 567 O O . PHE AAA 1 34 O . PHE 34 5.548 24.351 14.105 1.000 10.804 . 34 PHE AAA O . 1 ATOM 569 N N . GLU AAA 1 35 N . GLU 35 3.614 23.405 14.708 1.000 10.301 . 35 GLU AAA N . 1 ATOM 570 H H . GLU AAA 1 35 H . GLU 35 2.716 23.290 14.617 1.000 10.459 . 35 GLU AAA H c 1 ATOM 571 C CA . GLU AAA 1 35 CA . GLU 35 4.228 22.605 15.767 1.000 10.659 . 35 GLU AAA CA . 1 ATOM 572 H HA . GLU AAA 1 35 HA . GLU 35 4.941 23.137 16.185 1.000 10.629 . 35 GLU AAA HA c 1 ATOM 573 C CB . GLU AAA 1 35 CB . GLU 35 3.198 22.224 16.840 1.000 10.578 . 35 GLU AAA CB . 1 ATOM 574 H HB3 . GLU AAA 1 35 HB3 . GLU 35 3.575 21.511 17.396 1.000 10.682 . 35 GLU AAA HB3 c 1 ATOM 575 H HB2 . GLU AAA 1 35 HB2 . GLU 35 2.401 21.865 16.395 1.000 10.680 . 35 GLU AAA HB2 c 1 ATOM 576 C CG . GLU AAA 1 35 CG . GLU 35 2.781 23.380 17.737 1.000 10.944 . 35 GLU AAA CG . 1 ATOM 577 H HG3 . GLU AAA 1 35 HG3 . GLU 35 2.022 23.097 18.290 1.000 10.866 . 35 GLU AAA HG3 c 1 ATOM 578 H HG2 . GLU AAA 1 35 HG2 . GLU 35 2.476 24.123 17.177 1.000 10.864 . 35 GLU AAA HG2 c 1 ATOM 579 C CD . GLU AAA 1 35 CD . GLU 35 3.882 23.902 18.662 1.000 10.984 . 35 GLU AAA CD . 1 ATOM 580 O OE1 . GLU AAA 1 35 OE1 . GLU 35 4.996 23.318 18.667 1.000 10.610 . 35 GLU AAA OE1 . 1 ATOM 581 O OE2 . GLU AAA 1 35 OE2 . GLU 35 3.622 24.902 19.388 1.000 11.443 . 35 GLU AAA OE2 . 1 ATOM 582 C C . GLU AAA 1 35 C . GLU 35 4.855 21.350 15.141 1.000 10.943 . 35 GLU AAA C . 1 ATOM 583 O O . GLU AAA 1 35 O . GLU 35 5.959 20.932 15.536 1.000 10.725 . 35 GLU AAA O . 1 ATOM 585 N N . SER AAA 1 36 N . SER 36 4.164 20.705 14.208 1.000 10.882 . 36 SER AAA N . 1 ATOM 586 H H . SER AAA 1 36 H . SER 36 3.385 21.016 13.857 1.000 11.010 . 36 SER AAA H c 1 ATOM 587 C CA . SER AAA 1 36 CA . SER 36 4.538 19.357 13.670 1.000 11.366 . 36 SER AAA CA . 1 ATOM 588 H HA . SER AAA 1 36 HA . SER 36 5.479 19.177 13.938 1.000 11.207 . 36 SER AAA HA c 1 ATOM 589 C CB . SER AAA 1 36 CB . SER 36 3.684 18.314 14.287 1.000 11.094 . 36 SER AAA CB . 1 ATOM 590 H HB3 . SER AAA 1 36 HB3 . SER 36 3.684 18.427 15.264 1.000 10.560 . 36 SER AAA HB3 c 1 ATOM 591 H HB2 . SER AAA 1 36 HB2 . SER 36 4.051 17.425 14.081 1.000 10.563 . 36 SER AAA HB2 c 1 ATOM 592 O OG . SER AAA 1 36 OG . SER 36 2.354 18.403 13.799 1.000 8.784 . 36 SER AAA OG . 1 ATOM 593 H HG . SER AAA 1 36 HG . SER 36 2.037 17.537 13.931 0.000 15.000 . 36 SER AAA HG c 1 ATOM 594 C C . SER AAA 1 36 C . SER 36 4.462 19.214 12.156 1.000 11.304 . 36 SER AAA C . 1 ATOM 595 O O . SER AAA 1 36 O . SER 36 4.856 18.172 11.644 1.000 11.342 . 36 SER AAA O . 1 ATOM 597 N N . ASN AAA 1 37 N . ASN 37 3.977 20.234 11.453 1.000 11.599 . 37 ASN AAA N . 1 ATOM 598 H H . ASN AAA 1 37 H . ASN 37 3.776 21.042 11.817 1.000 11.592 . 37 ASN AAA H c 1 ATOM 599 C CA . ASN AAA 1 37 CA . ASN 37 3.741 20.152 10.001 1.000 11.900 . 37 ASN AAA CA . 1 ATOM 600 H HA . ASN AAA 1 37 HA . ASN 37 3.273 20.972 9.724 1.000 11.969 . 37 ASN AAA HA c 1 ATOM 601 C CB . ASN AAA 1 37 CB . ASN 37 5.051 20.076 9.203 1.000 13.265 . 37 ASN AAA CB . 1 ATOM 602 H HB3 . ASN AAA 1 37 HB3 . ASN 37 5.405 19.165 9.260 1.000 13.393 . 37 ASN AAA HB3 c 1 ATOM 603 H HB2 . ASN AAA 1 37 HB2 . ASN 37 5.704 20.681 9.609 1.000 13.404 . 37 ASN AAA HB2 c 1 ATOM 604 C CG . ASN AAA 1 37 CG . ASN 37 4.871 20.449 7.738 1.000 15.465 . 37 ASN AAA CG . 1 ATOM 605 O OD1 . ASN AAA 1 37 OD1 . ASN 37 3.901 21.146 7.420 1.000 16.938 . 37 ASN AAA OD1 . 1 ATOM 606 N ND2 . ASN AAA 1 37 ND2 . ASN 37 5.801 20.035 6.872 1.000 16.238 . 37 ASN AAA ND2 . 1 ATOM 607 H HD21 . ASN AAA 1 37 HD21 . ASN 37 5.909 20.638 5.959 0.000 15.000 . 37 ASN AAA HD21 c 1 ATOM 608 H HD22 . ASN AAA 1 37 HD22 . ASN 37 6.496 19.567 6.882 0.000 15.000 . 37 ASN AAA HD22 c 1 ATOM 609 C C . ASN AAA 1 37 C . ASN 37 2.809 18.960 9.748 1.000 11.251 . 37 ASN AAA C . 1 ATOM 610 O O . ASN AAA 1 37 O . ASN 37 3.009 18.245 8.739 1.000 10.989 . 37 ASN AAA O . 1 ATOM 612 N N . PHE AAA 1 38 N . PHE 38 1.814 18.766 10.638 1.000 11.375 . 38 PHE AAA N . 1 ATOM 613 H H . PHE AAA 1 38 H . PHE 38 1.700 19.292 11.373 1.000 11.512 . 38 PHE AAA H c 1 ATOM 614 C CA . PHE AAA 1 38 CA . PHE 38 0.778 17.718 10.545 1.000 12.101 . 38 PHE AAA CA . 1 ATOM 615 H HA . PHE AAA 1 38 HA . PHE 38 0.153 17.831 11.304 1.000 11.861 . 38 PHE AAA HA c 1 ATOM 616 C CB . PHE AAA 1 38 CB . PHE 38 -0.009 17.865 9.241 1.000 11.359 . 38 PHE AAA CB . 1 ATOM 617 H HB3 . PHE AAA 1 38 HB3 . PHE 38 -0.670 17.144 9.201 1.000 11.632 . 38 PHE AAA HB3 c 1 ATOM 618 H HB2 . PHE AAA 1 38 HB2 . PHE 38 0.608 17.741 8.491 1.000 11.631 . 38 PHE AAA HB2 c 1 ATOM 619 C CG . PHE AAA 1 38 CG . PHE 38 -0.720 19.164 9.068 1.000 11.791 . 38 PHE AAA CG . 1 ATOM 620 C CD1 . PHE AAA 1 38 CD1 . PHE 38 -1.220 19.871 10.162 1.000 12.272 . 38 PHE AAA CD1 . 1 ATOM 621 H HD1 . PHE AAA 1 38 HD1 . PHE 38 -1.106 19.546 11.040 1.000 12.108 . 38 PHE AAA HD1 c 1 ATOM 622 C CE1 . PHE AAA 1 38 CE1 . PHE 38 -1.889 21.069 9.929 1.000 12.000 . 38 PHE AAA CE1 . 1 ATOM 623 H HE1 . PHE AAA 1 38 HE1 . PHE 38 -2.233 21.562 10.655 1.000 12.240 . 38 PHE AAA HE1 c 1 ATOM 624 C CZ . PHE AAA 1 38 CZ . PHE 38 -2.059 21.533 8.637 1.000 12.846 . 38 PHE AAA CZ . 1 ATOM 625 H HZ . PHE AAA 1 38 HZ . PHE 38 -2.513 22.348 8.492 1.000 12.528 . 38 PHE AAA HZ c 1 ATOM 626 C CD2 . PHE AAA 1 38 CD2 . PHE 38 -0.893 19.654 7.778 1.000 12.240 . 38 PHE AAA CD2 . 1 ATOM 627 H HD2 . PHE AAA 1 38 HD2 . PHE 38 -0.567 19.160 7.042 1.000 12.200 . 38 PHE AAA HD2 c 1 ATOM 628 C CE2 . PHE AAA 1 38 CE2 . PHE 38 -1.580 20.828 7.566 1.000 12.527 . 38 PHE AAA CE2 . 1 ATOM 629 H HE2 . PHE AAA 1 38 HE2 . PHE 38 -1.689 21.162 6.689 1.000 12.494 . 38 PHE AAA HE2 c 1 ATOM 630 C C . PHE AAA 1 38 C . PHE 38 1.374 16.289 10.629 1.000 12.336 . 38 PHE AAA C . 1 ATOM 631 O O . PHE AAA 1 38 O . PHE 38 0.700 15.330 10.252 1.000 11.474 . 38 PHE AAA O . 1 ATOM 633 N N . ASN AAA 1 39 N . ASN 39 2.581 16.138 11.173 1.000 11.909 . 39 ASN AAA N . 1 ATOM 634 H H . ASN AAA 1 39 H . ASN 39 3.051 16.841 11.505 1.000 12.037 . 39 ASN AAA H c 1 ATOM 635 C CA . ASN AAA 1 39 CA . ASN 39 3.293 14.847 11.339 1.000 12.057 . 39 ASN AAA CA . 1 ATOM 636 H HA . ASN AAA 1 39 HA . ASN 39 2.902 14.201 10.705 1.000 11.953 . 39 ASN AAA HA c 1 ATOM 637 C CB . ASN AAA 1 39 CB . ASN 39 4.764 15.021 10.960 1.000 11.392 . 39 ASN AAA CB . 1 ATOM 638 H HB3 . ASN AAA 1 39 HB3 . ASN 39 5.205 15.573 11.636 1.000 11.760 . 39 ASN AAA HB3 c 1 ATOM 639 H HB2 . ASN AAA 1 39 HB2 . ASN 39 4.820 15.487 10.100 1.000 11.754 . 39 ASN AAA HB2 c 1 ATOM 640 C CG . ASN AAA 1 39 CG . ASN 39 5.488 13.683 10.855 1.000 12.290 . 39 ASN AAA CG . 1 ATOM 641 O OD1 . ASN AAA 1 39 OD1 . ASN 39 4.924 12.619 11.165 1.000 11.214 . 39 ASN AAA OD1 . 1 ATOM 642 N ND2 . ASN AAA 1 39 ND2 . ASN 39 6.748 13.738 10.407 1.000 13.603 . 39 ASN AAA ND2 . 1 ATOM 643 H HD21 . ASN AAA 1 39 HD21 . ASN 39 6.886 12.845 10.211 0.000 15.000 . 39 ASN AAA HD21 c 1 ATOM 644 H HD22 . ASN AAA 1 39 HD22 . ASN 39 6.779 14.292 9.723 0.000 15.000 . 39 ASN AAA HD22 c 1 ATOM 645 C C . ASN AAA 1 39 C . ASN 39 3.106 14.299 12.763 1.000 12.346 . 39 ASN AAA C . 1 ATOM 646 O O . ASN AAA 1 39 O . ASN 39 3.696 14.836 13.695 1.000 11.843 . 39 ASN AAA O . 1 ATOM 648 N N . THR AAA 1 40 N . THR 40 2.368 13.215 12.924 1.000 12.091 . 40 THR AAA N . 1 ATOM 649 H H . THR AAA 1 40 H . THR 40 1.946 12.771 12.250 1.000 12.061 . 40 THR AAA H c 1 ATOM 650 C CA . THR AAA 1 40 CA . THR 40 2.172 12.592 14.272 1.000 11.719 . 40 THR AAA CA . 1 ATOM 651 H HA . THR AAA 1 40 HA . THR 40 1.802 13.282 14.868 1.000 11.774 . 40 THR AAA HA c 1 ATOM 652 C CB . THR AAA 1 40 CB . THR 40 1.192 11.414 14.238 1.000 11.680 . 40 THR AAA CB . 1 ATOM 653 H HB . THR AAA 1 40 HB . THR 40 1.045 11.133 15.171 1.000 11.503 . 40 THR AAA HB c 1 ATOM 654 O OG1 . THR AAA 1 40 OG1 . THR 40 1.725 10.302 13.524 1.000 10.068 . 40 THR AAA OG1 . 1 ATOM 655 H HG1 . THR AAA 1 40 HG1 . THR 40 1.093 9.765 13.768 0.000 15.000 . 40 THR AAA HG1 c 1 ATOM 656 C CG2 . THR AAA 1 40 CG2 . THR 40 -0.152 11.808 13.654 1.000 12.439 . 40 THR AAA CG2 . 1 ATOM 657 H HG21 . THR AAA 1 40 HG21 . THR 40 -0.161 12.763 13.465 1.000 12.202 . 40 THR AAA HG21 c 1 ATOM 658 H HG22 . THR AAA 1 40 HG22 . THR 40 -0.858 11.599 14.292 1.000 12.201 . 40 THR AAA HG22 c 1 ATOM 659 H HG23 . THR AAA 1 40 HG23 . THR 40 -0.306 11.314 12.829 1.000 12.201 . 40 THR AAA HG23 c 1 ATOM 660 C C . THR AAA 1 40 C . THR 40 3.493 12.112 14.863 1.000 11.661 . 40 THR AAA C . 1 ATOM 661 O O . THR AAA 1 40 O . THR 40 3.583 11.967 16.075 1.000 12.629 . 40 THR AAA O . 1 ATOM 663 N N . GLN AAA 1 41 N . GLN 41 4.482 11.822 14.045 1.000 11.623 . 41 GLN AAA N . 1 ATOM 664 H H . GLN AAA 1 41 H . GLN 41 4.441 11.916 13.141 1.000 11.684 . 41 GLN AAA H c 1 ATOM 665 C CA . GLN AAA 1 41 CA . GLN 41 5.770 11.273 14.562 1.000 11.829 . 41 GLN AAA CA . 1 ATOM 666 H HA . GLN AAA 1 41 HA . GLN 41 5.561 10.781 15.389 1.000 12.035 . 41 GLN AAA HA c 1 ATOM 667 C CB . GLN AAA 1 41 CB . GLN 41 6.357 10.268 13.585 1.000 12.386 . 41 GLN AAA CB . 1 ATOM 668 H HB3 . GLN AAA 1 41 HB3 . GLN 41 7.185 9.914 13.971 1.000 12.678 . 41 GLN AAA HB3 c 1 ATOM 669 H HB2 . GLN AAA 1 41 HB2 . GLN 41 6.595 10.745 12.763 1.000 12.672 . 41 GLN AAA HB2 c 1 ATOM 670 C CG . GLN AAA 1 41 CG . GLN 41 5.451 9.107 13.227 1.000 14.283 . 41 GLN AAA CG . 1 ATOM 671 H HG3 . GLN AAA 1 41 HG3 . GLN 41 4.762 9.410 12.598 1.000 13.836 . 41 GLN AAA HG3 c 1 ATOM 672 H HG2 . GLN AAA 1 41 HG2 . GLN 41 5.002 8.780 14.036 1.000 13.838 . 41 GLN AAA HG2 c 1 ATOM 673 C CD . GLN AAA 1 41 CD . GLN 41 6.246 7.974 12.599 1.000 14.402 . 41 GLN AAA CD . 1 ATOM 674 O OE1 . GLN AAA 1 41 OE1 . GLN 41 7.023 7.320 13.307 1.000 15.377 . 41 GLN AAA OE1 . 1 ATOM 675 N NE2 . GLN AAA 1 41 NE2 . GLN 41 6.066 7.749 11.291 1.000 12.660 . 41 GLN AAA NE2 . 1 ATOM 676 H HE21 . GLN AAA 1 41 HE21 . GLN 41 6.547 7.045 10.941 0.000 15.000 . 41 GLN AAA HE21 c 1 ATOM 677 H HE22 . GLN AAA 1 41 HE22 . GLN 41 5.204 7.759 11.121 0.000 15.000 . 41 GLN AAA HE22 c 1 ATOM 678 C C . GLN AAA 1 41 C . GLN 41 6.788 12.358 14.933 1.000 12.566 . 41 GLN AAA C . 1 ATOM 679 O O . GLN AAA 1 41 O . GLN 41 7.888 11.993 15.283 1.000 12.484 . 41 GLN AAA O . 1 ATOM 681 N N . ALA AAA 1 42 N . ALA 42 6.458 13.641 14.812 1.000 12.330 . 42 ALA AAA N . 1 ATOM 682 H H . ALA AAA 1 42 H . ALA 42 5.648 13.946 14.532 1.000 12.265 . 42 ALA AAA H c 1 ATOM 683 C CA . ALA AAA 1 42 CA . ALA 42 7.414 14.723 15.132 1.000 11.848 . 42 ALA AAA CA . 1 ATOM 684 H HA . ALA AAA 1 42 HA . ALA 42 8.212 14.612 14.564 1.000 11.975 . 42 ALA AAA HA c 1 ATOM 685 C CB . ALA AAA 1 42 CB . ALA 42 6.761 16.038 14.804 1.000 12.188 . 42 ALA AAA CB . 1 ATOM 686 H HB3 . ALA AAA 1 42 HB3 . ALA 42 5.965 16.152 15.349 1.000 12.083 . 42 ALA AAA HB3 c 1 ATOM 687 H HB2 . ALA AAA 1 42 HB2 . ALA 42 6.514 16.053 13.864 1.000 12.083 . 42 ALA AAA HB2 c 1 ATOM 688 H HB1 . ALA AAA 1 42 HB1 . ALA 42 7.383 16.764 14.985 1.000 12.082 . 42 ALA AAA HB1 c 1 ATOM 689 C C . ALA AAA 1 42 C . ALA 42 7.850 14.651 16.618 1.000 11.687 . 42 ALA AAA C . 1 ATOM 690 O O . ALA AAA 1 42 O . ALA 42 7.009 14.451 17.505 1.000 12.121 . 42 ALA AAA O . 1 ATOM 692 N N . THR AAA 1 43 N . THR 43 9.140 14.823 16.864 1.000 12.910 . 43 THR AAA N . 1 ATOM 693 H H . THR AAA 1 43 H . THR 43 9.765 14.879 16.210 1.000 12.761 . 43 THR AAA H c 1 ATOM 694 C CA . THR AAA 1 43 CA . THR 43 9.728 14.871 18.212 1.000 13.309 . 43 THR AAA CA . 1 ATOM 695 H HA . THR AAA 1 43 HA . THR 43 9.030 15.134 18.850 1.000 13.354 . 43 THR AAA HA c 1 ATOM 696 C CB . THR AAA 1 43 CB . THR 43 10.342 13.514 18.657 1.000 13.630 . 43 THR AAA CB . 1 ATOM 697 H HB . THR AAA 1 43 HB . THR 43 10.692 13.633 19.572 1.000 13.815 . 43 THR AAA HB c 1 ATOM 698 O OG1 . THR AAA 1 43 OG1 . THR 43 11.440 13.129 17.804 1.000 14.790 . 43 THR AAA OG1 . 1 ATOM 699 H HG1 . THR AAA 1 43 HG1 . THR 43 11.911 12.544 18.316 0.000 15.000 . 43 THR AAA HG1 c 1 ATOM 700 C CG2 . THR AAA 1 43 CG2 . THR 43 9.311 12.408 18.691 1.000 13.810 . 43 THR AAA CG2 . 1 ATOM 701 H HG21 . THR AAA 1 43 HG21 . THR 43 8.566 12.676 19.258 1.000 13.753 . 43 THR AAA HG21 c 1 ATOM 702 H HG22 . THR AAA 1 43 HG22 . THR 43 9.715 11.597 19.050 1.000 13.753 . 43 THR AAA HG22 c 1 ATOM 703 H HG23 . THR AAA 1 43 HG23 . THR 43 8.987 12.236 17.789 1.000 13.750 . 43 THR AAA HG23 c 1 ATOM 704 C C . THR AAA 1 43 C . THR 43 10.791 15.945 18.167 1.000 13.683 . 43 THR AAA C . 1 ATOM 705 O O . THR AAA 1 43 O . THR 43 11.455 16.134 17.129 1.000 13.158 . 43 THR AAA O . 1 ATOM 707 N N . ASN AAA 1 44 N . ASN 44 10.949 16.669 19.267 1.000 13.577 . 44 ASN AAA N . 1 ATOM 708 H H . ASN AAA 1 44 H . ASN 44 10.469 16.538 20.030 1.000 13.717 . 44 ASN AAA H c 1 ATOM 709 C CA . ASN AAA 1 44 CA . ASN 44 11.930 17.763 19.328 1.000 14.087 . 44 ASN AAA CA . 1 ATOM 710 H HA . ASN AAA 1 44 HA . ASN 44 12.702 17.522 18.765 1.000 14.067 . 44 ASN AAA HA c 1 ATOM 711 C CB . ASN AAA 1 44 CB . ASN 44 11.332 19.065 18.776 1.000 15.528 . 44 ASN AAA CB . 1 ATOM 712 H HB3 . ASN AAA 1 44 HB3 . ASN 44 11.927 19.809 19.001 1.000 15.223 . 44 ASN AAA HB3 c 1 ATOM 713 H HB2 . ASN AAA 1 44 HB2 . ASN 44 10.466 19.225 19.204 1.000 15.220 . 44 ASN AAA HB2 c 1 ATOM 714 C CG . ASN AAA 1 44 CG . ASN 44 11.144 19.012 17.266 1.000 15.761 . 44 ASN AAA CG . 1 ATOM 715 O OD1 . ASN AAA 1 44 OD1 . ASN 44 12.155 19.115 16.551 1.000 17.245 . 44 ASN AAA OD1 . 1 ATOM 716 N ND2 . ASN AAA 1 44 ND2 . ASN 44 9.905 18.870 16.772 1.000 15.640 . 44 ASN AAA ND2 . 1 ATOM 717 H HD21 . ASN AAA 1 44 HD21 . ASN 44 10.020 18.675 15.753 0.000 15.000 . 44 ASN AAA HD21 c 1 ATOM 718 H HD22 . ASN AAA 1 44 HD22 . ASN 44 9.042 18.755 16.928 0.000 15.000 . 44 ASN AAA HD22 c 1 ATOM 719 C C . ASN AAA 1 44 C . ASN 44 12.405 17.912 20.777 1.000 13.162 . 44 ASN AAA C . 1 ATOM 720 O O . ASN AAA 1 44 O . ASN 44 11.570 18.074 21.703 1.000 13.596 . 44 ASN AAA O . 1 ATOM 722 N N . ARG AAA 1 45 N . ARG 45 13.739 17.886 20.937 1.000 13.865 . 45 ARG AAA N . 1 ATOM 723 H H . ARG AAA 1 45 H . ARG 45 14.327 17.801 20.246 1.000 13.978 . 45 ARG AAA H c 1 ATOM 724 C CA . ARG AAA 1 45 CA . ARG 45 14.362 17.999 22.261 1.000 15.111 . 45 ARG AAA CA . 1 ATOM 725 H HA . ARG AAA 1 45 HA . ARG 45 13.803 17.508 22.902 1.000 14.513 . 45 ARG AAA HA c 1 ATOM 726 C CB . ARG AAA 1 45 CB . ARG 45 15.778 17.420 22.297 1.000 14.596 . 45 ARG AAA CB . 1 ATOM 727 H HB3 . ARG AAA 1 45 HB3 . ARG 45 16.392 18.068 21.892 1.000 14.889 . 45 ARG AAA HB3 c 1 ATOM 728 H HB2 . ARG AAA 1 45 HB2 . ARG 45 15.798 16.606 21.753 1.000 14.891 . 45 ARG AAA HB2 c 1 ATOM 729 C CG . ARG AAA 1 45 CG . ARG 45 16.264 17.090 23.700 1.000 15.350 . 45 ARG AAA CG . 1 ATOM 730 H HG3 . ARG AAA 1 45 HG3 . ARG 45 16.085 17.838 24.308 1.000 15.073 . 45 ARG AAA HG3 c 1 ATOM 731 H HG2 . ARG AAA 1 45 HG2 . ARG 45 17.227 16.905 23.692 1.000 15.075 . 45 ARG AAA HG2 c 1 ATOM 732 C CD . ARG AAA 1 45 CD . ARG 45 15.499 15.851 24.156 1.000 14.950 . 45 ARG AAA CD . 1 ATOM 733 H HD3 . ARG AAA 1 45 HD3 . ARG 45 15.694 15.124 23.531 1.000 15.041 . 45 ARG AAA HD3 c 1 ATOM 734 H HD2 . ARG AAA 1 45 HD2 . ARG 45 14.542 16.040 24.087 1.000 15.011 . 45 ARG AAA HD2 c 1 ATOM 735 N NE . ARG AAA 1 45 NE . ARG 45 15.772 15.389 25.515 0.500 14.855 . 45 ARG AAA NE . 1 ATOM 736 H HE . ARG AAA 1 45 HE . ARG 45 15.194 15.583 26.136 0.500 14.578 . 45 ARG AAA HE c 1 ATOM 737 C CZ . ARG AAA 1 45 CZ . ARG 45 16.845 14.668 25.864 0.500 13.911 . 45 ARG AAA CZ . 1 ATOM 738 N NH1 . ARG AAA 1 45 NH1 . ARG 45 17.734 14.321 24.963 0.500 14.085 . 45 ARG AAA NH1 . 1 ATOM 739 H HH11 . ARG AAA 1 45 HH11 . ARG 45 17.644 14.575 24.128 0.500 14.030 . 45 ARG AAA HH11 c 1 ATOM 740 H HH12 . ARG AAA 1 45 HH12 . ARG 45 18.434 13.847 25.204 0.500 14.026 . 45 ARG AAA HH12 c 1 ATOM 741 N NH2 . ARG AAA 1 45 NH2 . ARG 45 17.010 14.258 27.110 0.500 12.867 . 45 ARG AAA NH2 . 1 ATOM 742 H HH21 . ARG AAA 1 45 HH21 . ARG 45 16.419 14.477 27.726 0.500 13.273 . 45 ARG AAA HH21 c 1 ATOM 743 H HH22 . ARG AAA 1 45 HH22 . ARG 45 17.721 13.784 27.325 0.500 13.273 . 45 ARG AAA HH22 c 1 ATOM 744 C C . ARG AAA 1 45 C . ARG 45 14.364 19.472 22.648 1.000 13.802 . 45 ARG AAA C . 1 ATOM 745 O O . ARG AAA 1 45 O . ARG 45 14.653 20.363 21.830 1.000 14.617 . 45 ARG AAA O . 1 ATOM 747 N N . ASN AAA 1 46 N . ASN 46 14.032 19.710 23.915 1.000 14.656 . 46 ASN AAA N . 1 ATOM 748 H H . ASN AAA 1 46 H . ASN 46 13.770 19.057 24.493 1.000 14.468 . 46 ASN AAA H c 1 ATOM 749 C CA . ASN AAA 1 46 CA . ASN 46 14.063 21.059 24.503 1.000 14.715 . 46 ASN AAA CA . 1 ATOM 750 H HA . ASN AAA 1 46 HA . ASN 46 14.010 21.724 23.777 1.000 14.777 . 46 ASN AAA HA c 1 ATOM 751 C CB . ASN AAA 1 46 CB . ASN 46 12.873 21.282 25.435 1.000 15.304 . 46 ASN AAA CB . 1 ATOM 752 H HB3 . ASN AAA 1 46 HB3 . ASN 46 12.922 22.191 25.795 1.000 15.417 . 46 ASN AAA HB3 c 1 ATOM 753 H HB2 . ASN AAA 1 46 HB2 . ASN 46 12.940 20.657 26.186 1.000 15.409 . 46 ASN AAA HB2 c 1 ATOM 754 C CG . ASN AAA 1 46 CG . ASN 46 11.537 21.096 24.762 1.000 16.426 . 46 ASN AAA CG . 1 ATOM 755 O OD1 . ASN AAA 1 46 OD1 . ASN 46 11.356 21.571 23.625 1.000 17.946 . 46 ASN AAA OD1 . 1 ATOM 756 N ND2 . ASN AAA 1 46 ND2 . ASN 46 10.593 20.445 25.465 1.000 14.481 . 46 ASN AAA ND2 . 1 ATOM 757 H HD21 . ASN AAA 1 46 HD21 . ASN 46 10.061 20.036 25.100 0.000 15.000 . 46 ASN AAA HD21 c 1 ATOM 758 H HD22 . ASN AAA 1 46 HD22 . ASN 46 11.065 20.262 26.233 0.000 15.000 . 46 ASN AAA HD22 c 1 ATOM 759 C C . ASN AAA 1 46 C . ASN 46 15.395 21.224 25.227 1.000 14.505 . 46 ASN AAA C . 1 ATOM 760 O O . ASN AAA 1 46 O . ASN 46 15.978 20.259 25.669 1.000 13.777 . 46 ASN AAA O . 1 ATOM 762 N N . THR AAA 1 47 N . THR 47 15.818 22.459 25.397 1.000 14.100 . 47 THR AAA N . 1 ATOM 763 H H . THR AAA 1 47 H . THR 47 15.360 23.195 25.118 1.000 14.252 . 47 THR AAA H c 1 ATOM 764 C CA . THR AAA 1 47 CA . THR 47 17.091 22.784 26.086 1.000 14.303 . 47 THR AAA CA . 1 ATOM 765 H HA . THR AAA 1 47 HA . THR 47 17.810 22.365 25.559 1.000 14.379 . 47 THR AAA HA c 1 ATOM 766 C CB . THR AAA 1 47 CB . THR 47 17.341 24.301 26.063 1.000 15.730 . 47 THR AAA CB . 1 ATOM 767 H HB . THR AAA 1 47 HB . THR 47 18.207 24.469 26.505 1.000 15.942 . 47 THR AAA HB c 1 ATOM 768 O OG1 . THR AAA 1 47 OG1 . THR 47 16.327 25.007 26.778 1.000 17.403 . 47 THR AAA OG1 . 1 ATOM 769 H HG1 . THR AAA 1 47 HG1 . THR 47 16.782 25.530 27.145 0.000 15.000 . 47 THR AAA HG1 c 1 ATOM 770 C CG2 . THR AAA 1 47 CG2 . THR 47 17.412 24.850 24.666 1.000 16.775 . 47 THR AAA CG2 . 1 ATOM 771 H HG21 . THR AAA 1 47 HG21 . THR 47 17.336 24.123 24.023 1.000 16.435 . 47 THR AAA HG21 c 1 ATOM 772 H HG22 . THR AAA 1 47 HG22 . THR 47 18.264 25.305 24.540 1.000 16.447 . 47 THR AAA HG22 c 1 ATOM 773 H HG23 . THR AAA 1 47 HG23 . THR 47 16.685 25.482 24.526 1.000 16.463 . 47 THR AAA HG23 c 1 ATOM 774 C C . THR AAA 1 47 C . THR 47 17.175 22.199 27.505 1.000 13.545 . 47 THR AAA C . 1 ATOM 775 O O . THR AAA 1 47 O . THR 47 18.304 21.931 27.961 1.000 14.350 . 47 THR AAA O . 1 ATOM 777 N N . ASP AAA 1 48 N . ASP 48 16.046 22.026 28.201 1.000 14.666 . 48 ASP AAA N . 1 ATOM 778 H H . ASP AAA 1 48 H . ASP 48 15.216 22.189 27.867 1.000 14.238 . 48 ASP AAA H c 1 ATOM 779 C CA . ASP AAA 1 48 CA . ASP 48 16.079 21.559 29.610 1.000 13.997 . 48 ASP AAA CA . 1 ATOM 780 H HA . ASP AAA 1 48 HA . ASP 48 16.896 21.915 30.031 1.000 14.036 . 48 ASP AAA HA c 1 ATOM 781 C CB . ASP AAA 1 48 CB . ASP 48 14.889 22.113 30.368 1.000 14.270 . 48 ASP AAA CB . 1 ATOM 782 H HB3 . ASP AAA 1 48 HB3 . ASP 48 14.869 23.086 30.255 1.000 14.346 . 48 ASP AAA HB3 c 1 ATOM 783 H HB2 . ASP AAA 1 48 HB2 . ASP 48 15.005 21.921 31.321 1.000 14.346 . 48 ASP AAA HB2 c 1 ATOM 784 C CG . ASP AAA 1 48 CG . ASP 48 13.554 21.563 29.937 1.000 14.881 . 48 ASP AAA CG . 1 ATOM 785 O OD1 . ASP AAA 1 48 OD1 . ASP 48 13.502 20.896 28.878 1.000 15.008 . 48 ASP AAA OD1 . 1 ATOM 786 O OD2 . ASP AAA 1 48 OD2 . ASP 48 12.556 21.867 30.626 1.000 15.047 . 48 ASP AAA OD2 . 1 ATOM 787 C C . ASP AAA 1 48 C . ASP 48 16.124 20.016 29.697 1.000 13.298 . 48 ASP AAA C . 1 ATOM 788 O O . ASP AAA 1 48 O . ASP 48 16.115 19.483 30.819 1.000 13.080 . 48 ASP AAA O . 1 ATOM 790 N N . GLY AAA 1 49 N . GLY 49 16.110 19.321 28.577 1.000 14.243 . 49 GLY AAA N . 1 ATOM 791 H H . GLY AAA 1 49 H . GLY 49 16.054 19.701 27.752 1.000 13.688 . 49 GLY AAA H c 1 ATOM 792 C CA . GLY AAA 1 49 CA . GLY 49 16.169 17.853 28.580 1.000 12.874 . 49 GLY AAA CA . 1 ATOM 793 H HA3 . GLY AAA 1 49 HA3 . GLY 49 16.483 17.544 29.466 1.000 13.155 . 49 GLY AAA HA3 c 1 ATOM 794 H HA2 . GLY AAA 1 49 HA2 . GLY 49 16.835 17.562 27.908 1.000 13.155 . 49 GLY AAA HA2 c 1 ATOM 795 C C . GLY AAA 1 49 C . GLY 49 14.855 17.210 28.275 1.000 12.753 . 49 GLY AAA C . 1 ATOM 796 O O . GLY AAA 1 49 O . GLY 49 14.836 16.008 28.036 1.000 12.864 . 49 GLY AAA O . 1 ATOM 798 N N . SER AAA 1 50 N . SER 50 13.770 17.966 28.359 1.000 12.224 . 50 SER AAA N . 1 ATOM 799 H H . SER AAA 1 50 H . SER 50 13.757 18.841 28.608 1.000 12.298 . 50 SER AAA H c 1 ATOM 800 C CA . SER AAA 1 50 CA . SER 50 12.436 17.425 28.049 1.000 12.002 . 50 SER AAA CA . 1 ATOM 801 H HA . SER AAA 1 50 HA . SER 50 12.365 16.520 28.457 1.000 11.675 . 50 SER AAA HA c 1 ATOM 802 C CB . SER AAA 1 50 CB . SER 50 11.329 18.281 28.598 1.000 11.444 . 50 SER AAA CB . 1 ATOM 803 H HB3 . SER AAA 1 50 HB3 . SER 50 11.449 18.375 29.570 1.000 11.732 . 50 SER AAA HB3 c 1 ATOM 804 H HB2 . SER AAA 1 50 HB2 . SER 50 10.471 17.828 28.444 1.000 11.743 . 50 SER AAA HB2 c 1 ATOM 805 O OG . SER AAA 1 50 OG . SER 50 11.286 19.573 28.009 1.000 12.116 . 50 SER AAA OG . 1 ATOM 806 H HG . SER AAA 1 50 HG . SER 50 10.524 20.081 28.207 0.000 15.000 . 50 SER AAA HG c 1 ATOM 807 C C . SER AAA 1 50 C . SER 50 12.325 17.273 26.521 1.000 10.632 . 50 SER AAA C . 1 ATOM 808 O O . SER AAA 1 50 O . SER 50 13.165 17.806 25.756 1.000 11.469 . 50 SER AAA O . 1 ATOM 810 N N . THR AAA 1 51 N . THR 51 11.275 16.619 26.082 1.000 11.619 . 51 THR AAA N . 1 ATOM 811 H H . THR AAA 1 51 H . THR 51 10.645 16.229 26.612 1.000 11.333 . 51 THR AAA H c 1 ATOM 812 C CA . THR AAA 1 51 CA . THR 51 11.022 16.453 24.631 1.000 11.419 . 51 THR AAA CA . 1 ATOM 813 H HA . THR AAA 1 51 HA . THR 51 11.571 17.107 24.141 1.000 11.439 . 51 THR AAA HA c 1 ATOM 814 C CB . THR AAA 1 51 CB . THR 51 11.413 15.033 24.173 1.000 11.768 . 51 THR AAA CB . 1 ATOM 815 H HB . THR AAA 1 51 HB . THR 51 10.865 14.396 24.685 1.000 11.562 . 51 THR AAA HB c 1 ATOM 816 O OG1 . THR AAA 1 51 OG1 . THR 51 12.792 14.735 24.425 1.000 11.139 . 51 THR AAA OG1 . 1 ATOM 817 H HG1 . THR AAA 1 51 HG1 . THR 51 13.166 14.100 24.271 0.000 15.000 . 51 THR AAA HG1 c 1 ATOM 818 C CG2 . THR AAA 1 51 CG2 . THR 51 11.134 14.824 22.700 1.000 11.747 . 51 THR AAA CG2 . 1 ATOM 819 H HG21 . THR AAA 1 51 HG21 . THR 51 10.188 14.634 22.570 1.000 11.747 . 51 THR AAA HG21 c 1 ATOM 820 H HG22 . THR AAA 1 51 HG22 . THR 51 11.662 14.075 22.371 1.000 11.751 . 51 THR AAA HG22 c 1 ATOM 821 H HG23 . THR AAA 1 51 HG23 . THR 51 11.373 15.627 22.206 1.000 11.756 . 51 THR AAA HG23 c 1 ATOM 822 C C . THR AAA 1 51 C . THR 51 9.553 16.721 24.326 1.000 10.982 . 51 THR AAA C . 1 ATOM 823 O O . THR AAA 1 51 O . THR 51 8.676 16.448 25.150 1.000 11.481 . 51 THR AAA O . 1 ATOM 825 N N . ASP AAA 1 52 N . ASP 52 9.292 17.274 23.152 1.000 11.263 . 52 ASP AAA N . 1 ATOM 826 H H . ASP AAA 1 52 H . ASP 52 9.951 17.509 22.569 1.000 11.258 . 52 ASP AAA H c 1 ATOM 827 C CA . ASP AAA 1 52 CA . ASP 52 7.928 17.575 22.646 1.000 11.506 . 52 ASP AAA CA . 1 ATOM 828 H HA . ASP AAA 1 52 HA . ASP 52 7.306 17.591 23.408 1.000 11.744 . 52 ASP AAA HA c 1 ATOM 829 C CB . ASP AAA 1 52 CB . ASP 52 7.868 18.932 21.935 1.000 12.464 . 52 ASP AAA CB . 1 ATOM 830 H HB3 . ASP AAA 1 52 HB3 . ASP 52 7.011 19.012 21.475 1.000 12.317 . 52 ASP AAA HB3 c 1 ATOM 831 H HB2 . ASP AAA 1 52 HB2 . ASP 52 8.584 18.985 21.269 1.000 12.323 . 52 ASP AAA HB2 c 1 ATOM 832 C CG . ASP AAA 1 52 CG . ASP 52 8.016 20.096 22.914 1.000 12.896 . 52 ASP AAA CG . 1 ATOM 833 O OD1 . ASP AAA 1 52 OD1 . ASP 52 8.007 19.825 24.139 1.000 12.987 . 52 ASP AAA OD1 . 1 ATOM 834 O OD2 . ASP AAA 1 52 OD2 . ASP 52 8.135 21.260 22.455 1.000 13.729 . 52 ASP AAA OD2 . 1 ATOM 835 C C . ASP AAA 1 52 C . ASP 52 7.534 16.446 21.718 1.000 12.072 . 52 ASP AAA C . 1 ATOM 836 O O . ASP AAA 1 52 O . ASP 52 8.359 16.055 20.884 1.000 11.626 . 52 ASP AAA O . 1 ATOM 838 N N . TYR AAA 1 53 N . TYR 53 6.312 15.941 21.854 1.000 11.884 . 53 TYR AAA N . 1 ATOM 839 H H . TYR AAA 1 53 H . TYR 53 5.688 16.233 22.448 1.000 11.991 . 53 TYR AAA H c 1 ATOM 840 C CA . TYR AAA 1 53 CA . TYR 53 5.848 14.814 21.003 1.000 12.160 . 53 TYR AAA CA . 1 ATOM 841 H HA . TYR AAA 1 53 HA . TYR 53 6.540 14.627 20.320 1.000 11.819 . 53 TYR AAA HA c 1 ATOM 842 C CB . TYR AAA 1 53 CB . TYR 53 5.650 13.557 21.845 1.000 11.063 . 53 TYR AAA CB . 1 ATOM 843 H HB3 . TYR AAA 1 53 HB3 . TYR 53 5.347 12.831 21.260 1.000 11.012 . 53 TYR AAA HB3 c 1 ATOM 844 H HB2 . TYR AAA 1 53 HB2 . TYR 53 4.944 13.729 22.503 1.000 11.017 . 53 TYR AAA HB2 c 1 ATOM 845 C CG . TYR AAA 1 53 CG . TYR 53 6.888 13.118 22.563 1.000 9.885 . 53 TYR AAA CG . 1 ATOM 846 C CD1 . TYR AAA 1 53 CD1 . TYR 53 7.297 13.728 23.738 1.000 9.553 . 53 TYR AAA CD1 . 1 ATOM 847 H HD1 . TYR AAA 1 53 HD1 . TYR 53 6.788 14.435 24.099 1.000 9.774 . 53 TYR AAA HD1 c 1 ATOM 848 C CE1 . TYR AAA 1 53 CE1 . TYR 53 8.434 13.279 24.417 1.000 10.049 . 53 TYR AAA CE1 . 1 ATOM 849 H HE1 . TYR AAA 1 53 HE1 . TYR 53 8.703 13.709 25.211 1.000 9.912 . 53 TYR AAA HE1 c 1 ATOM 850 C CZ . TYR AAA 1 53 CZ . TYR 53 9.203 12.247 23.907 1.000 9.893 . 53 TYR AAA CZ . 1 ATOM 851 O OH . TYR AAA 1 53 OH . TYR 53 10.327 11.797 24.604 1.000 9.824 . 53 TYR AAA OH . 1 ATOM 852 H HH . TYR AAA 1 53 HH . TYR 53 10.066 11.161 25.083 0.000 15.000 . 53 TYR AAA HH c 1 ATOM 853 C CE2 . TYR AAA 1 53 CE2 . TYR 53 8.811 11.638 22.715 1.000 10.073 . 53 TYR AAA CE2 . 1 ATOM 854 H HE2 . TYR AAA 1 53 HE2 . TYR 53 9.296 10.903 22.379 1.000 9.958 . 53 TYR AAA HE2 c 1 ATOM 855 C CD2 . TYR AAA 1 53 CD2 . TYR 53 7.640 12.042 22.098 1.000 9.758 . 53 TYR AAA CD2 . 1 ATOM 856 H HD2 . TYR AAA 1 53 HD2 . TYR 53 7.394 11.633 21.285 1.000 9.882 . 53 TYR AAA HD2 c 1 ATOM 857 C C . TYR AAA 1 53 C . TYR 53 4.505 14.999 20.288 1.000 11.791 . 53 TYR AAA C . 1 ATOM 858 O O . TYR AAA 1 53 O . TYR 53 3.551 15.538 20.800 1.000 11.669 . 53 TYR AAA O . 1 ATOM 860 N N . GLY AAA 1 54 N . GLY 54 4.487 14.538 19.036 1.000 11.294 . 54 GLY AAA N . 1 ATOM 861 H H . GLY AAA 1 54 H . GLY 54 5.234 14.228 18.616 1.000 11.492 . 54 GLY AAA H c 1 ATOM 862 C CA . GLY AAA 1 54 CA . GLY 54 3.277 14.491 18.223 1.000 11.612 . 54 GLY AAA CA . 1 ATOM 863 H HA3 . GLY AAA 1 54 HA3 . GLY 54 2.533 14.199 18.805 1.000 11.476 . 54 GLY AAA HA3 c 1 ATOM 864 H HA2 . GLY AAA 1 54 HA2 . GLY 54 3.397 13.785 17.545 1.000 11.473 . 54 GLY AAA HA2 c 1 ATOM 865 C C . GLY AAA 1 54 C . GLY 54 2.846 15.762 17.511 1.000 11.328 . 54 GLY AAA C . 1 ATOM 866 O O . GLY AAA 1 54 O . GLY 54 3.538 16.772 17.500 1.000 11.197 . 54 GLY AAA O . 1 ATOM 868 N N . ILE AAA 1 55 N . ILE 55 1.641 15.700 16.927 1.000 11.173 . 55 ILE AAA N . 1 ATOM 869 H H . ILE AAA 1 55 H . ILE 55 1.119 14.958 16.989 1.000 11.354 . 55 ILE AAA H c 1 ATOM 870 C CA . ILE AAA 1 55 CA . ILE 55 1.032 16.778 16.132 1.000 11.691 . 55 ILE AAA CA . 1 ATOM 871 H HA . ILE AAA 1 55 HA . ILE 55 1.582 16.902 15.343 1.000 11.776 . 55 ILE AAA HA c 1 ATOM 872 C CB . ILE AAA 1 55 CB . ILE 55 -0.381 16.387 15.655 1.000 13.048 . 55 ILE AAA CB . 1 ATOM 873 H HB . ILE AAA 1 55 HB . ILE 55 -0.764 17.160 15.171 1.000 12.870 . 55 ILE AAA HB c 1 ATOM 874 C CG1 . ILE AAA 1 55 CG1 . ILE 55 -1.290 16.077 16.843 1.000 13.877 . 55 ILE AAA CG1 . 1 ATOM 875 H HG12 . ILE AAA 1 55 HG12 . ILE 55 -1.072 16.682 17.581 1.000 14.327 . 55 ILE AAA HG12 c 1 ATOM 876 H HG13 . ILE AAA 1 55 HG13 . ILE 55 -1.119 15.163 17.144 1.000 14.349 . 55 ILE AAA HG13 c 1 ATOM 877 C CG2 . ILE AAA 1 55 CG2 . ILE 55 -0.284 15.235 14.694 1.000 12.721 . 55 ILE AAA CG2 . 1 ATOM 878 H HG21 . ILE AAA 1 55 HG21 . ILE 55 0.508 15.336 14.138 1.000 12.819 . 55 ILE AAA HG21 c 1 ATOM 879 H HG22 . ILE AAA 1 55 HG22 . ILE 55 -1.074 15.217 14.127 1.000 12.823 . 55 ILE AAA HG22 c 1 ATOM 880 C CD1 . ILE AAA 1 55 CD1 . ILE 55 -2.732 16.211 16.536 1.000 17.019 . 55 ILE AAA CD1 . 1 ATOM 881 H HD11 . ILE AAA 1 55 HD11 . ILE 55 -2.942 17.144 16.356 1.000 15.981 . 55 ILE AAA HD11 c 1 ATOM 882 H HD12 . ILE AAA 1 55 HD12 . ILE 55 -3.257 15.902 17.295 1.000 15.981 . 55 ILE AAA HD12 c 1 ATOM 883 H HD13 . ILE AAA 1 55 HD13 . ILE 55 -2.950 15.675 15.753 1.000 15.981 . 55 ILE AAA HD13 c 1 ATOM 884 H HG23 . ILE AAA 1 55 HG23 . ILE 55 -0.225 14.400 15.188 1.000 12.833 . 55 ILE AAA HG23 c 1 ATOM 885 C C . ILE AAA 1 55 C . ILE 55 0.974 18.112 16.874 1.000 11.419 . 55 ILE AAA C . 1 ATOM 886 O O . ILE AAA 1 55 O . ILE 55 0.967 19.131 16.208 1.000 10.951 . 55 ILE AAA O . 1 ATOM 888 N N . LEU AAA 1 56 N . LEU 56 0.867 18.093 18.187 1.000 11.784 . 56 LEU AAA N . 1 ATOM 889 H H . LEU AAA 1 56 H . LEU 56 0.830 17.329 18.680 1.000 11.558 . 56 LEU AAA H c 1 ATOM 890 C CA . LEU AAA 1 56 CA . LEU 56 0.779 19.338 18.976 1.000 11.184 . 56 LEU AAA CA . 1 ATOM 891 H HA . LEU AAA 1 56 HA . LEU 56 0.810 20.098 18.353 1.000 11.173 . 56 LEU AAA HA c 1 ATOM 892 C CB . LEU AAA 1 56 CB . LEU 56 -0.563 19.351 19.704 1.000 11.127 . 56 LEU AAA CB . 1 ATOM 893 H HB3 . LEU AAA 1 56 HB3 . LEU 56 -0.516 19.994 20.439 1.000 11.373 . 56 LEU AAA HB3 c 1 ATOM 894 H HB2 . LEU AAA 1 56 HB2 . LEU 56 -0.716 18.466 20.091 1.000 11.376 . 56 LEU AAA HB2 c 1 ATOM 895 C CG . LEU AAA 1 56 CG . LEU 56 -1.760 19.712 18.816 1.000 12.146 . 56 LEU AAA CG . 1 ATOM 896 H HG . LEU AAA 1 56 HG . LEU 56 -1.751 19.107 18.034 1.000 12.201 . 56 LEU AAA HG c 1 ATOM 897 C CD1 . LEU AAA 1 56 CD1 . LEU 56 -3.057 19.493 19.556 1.000 13.038 . 56 LEU AAA CD1 . 1 ATOM 898 H HD11 . LEU AAA 1 56 HD11 . LEU 56 -3.101 18.572 19.868 1.000 12.753 . 56 LEU AAA HD11 c 1 ATOM 899 H HD12 . LEU AAA 1 56 HD12 . LEU 56 -3.805 19.669 18.959 1.000 12.755 . 56 LEU AAA HD12 c 1 ATOM 900 H HD13 . LEU AAA 1 56 HD13 . LEU 56 -3.102 20.095 20.318 1.000 12.756 . 56 LEU AAA HD13 c 1 ATOM 901 C CD2 . LEU AAA 1 56 CD2 . LEU 56 -1.636 21.152 18.298 1.000 12.651 . 56 LEU AAA CD2 . 1 ATOM 902 H HD21 . LEU AAA 1 56 HD21 . LEU 56 -1.208 21.706 18.974 1.000 12.487 . 56 LEU AAA HD21 c 1 ATOM 903 H HD22 . LEU AAA 1 56 HD22 . LEU 56 -2.521 21.505 18.103 1.000 12.493 . 56 LEU AAA HD22 c 1 ATOM 904 H HD23 . LEU AAA 1 56 HD23 . LEU 56 -1.099 21.160 17.486 1.000 12.489 . 56 LEU AAA HD23 c 1 ATOM 905 C C . LEU AAA 1 56 C . LEU 56 1.986 19.451 19.912 1.000 10.584 . 56 LEU AAA C . 1 ATOM 906 O O . LEU AAA 1 56 O . LEU 56 1.934 20.277 20.825 1.000 10.456 . 56 LEU AAA O . 1 ATOM 908 N N . GLN AAA 1 57 N . GLN 57 3.033 18.681 19.677 1.000 11.116 . 57 GLN AAA N . 1 ATOM 909 H H . GLN AAA 1 57 H . GLN 57 3.038 18.028 19.046 1.000 10.954 . 57 GLN AAA H c 1 ATOM 910 C CA . GLN AAA 1 57 CA . GLN 57 4.319 18.811 20.417 1.000 10.947 . 57 GLN AAA CA . 1 ATOM 911 H HA . GLN AAA 1 57 HA . GLN 57 4.835 17.985 20.278 1.000 11.134 . 57 GLN AAA HA c 1 ATOM 912 C CB . GLN AAA 1 57 CB . GLN 57 5.092 19.978 19.809 1.000 10.801 . 57 GLN AAA CB . 1 ATOM 913 H HB3 . GLN AAA 1 57 HB3 . GLN 57 5.852 20.193 20.384 1.000 10.720 . 57 GLN AAA HB3 c 1 ATOM 914 H HB2 . GLN AAA 1 57 HB2 . GLN 57 4.506 20.762 19.777 1.000 10.711 . 57 GLN AAA HB2 c 1 ATOM 915 C CG . GLN AAA 1 57 CG . GLN 57 5.583 19.674 18.436 1.000 10.275 . 57 GLN AAA CG . 1 ATOM 916 H HG3 . GLN AAA 1 57 HG3 . GLN 57 5.918 20.500 18.029 1.000 10.380 . 57 GLN AAA HG3 c 1 ATOM 917 H HG2 . GLN AAA 1 57 HG2 . GLN 57 4.834 19.354 17.889 1.000 10.380 . 57 GLN AAA HG2 c 1 ATOM 918 C CD . GLN AAA 1 57 CD . GLN 57 6.680 18.643 18.418 1.000 10.204 . 57 GLN AAA CD . 1 ATOM 919 O OE1 . GLN AAA 1 57 OE1 . GLN 57 7.839 18.979 18.694 1.000 11.256 . 57 GLN AAA OE1 . 1 ATOM 920 N NE2 . GLN AAA 1 57 NE2 . GLN 57 6.341 17.374 18.104 1.000 10.023 . 57 GLN AAA NE2 . 1 ATOM 921 H HE21 . GLN AAA 1 57 HE21 . GLN 57 6.843 16.848 17.992 0.000 15.000 . 57 GLN AAA HE21 c 1 ATOM 922 H HE22 . GLN AAA 1 57 HE22 . GLN 57 5.429 17.374 17.730 0.000 15.000 . 57 GLN AAA HE22 c 1 ATOM 923 C C . GLN AAA 1 57 C . GLN 57 4.096 18.987 21.909 1.000 11.964 . 57 GLN AAA C . 1 ATOM 924 O O . GLN AAA 1 57 O . GLN 57 4.549 19.970 22.510 1.000 11.721 . 57 GLN AAA O . 1 ATOM 926 N N . ILE AAA 1 58 N . ILE 58 3.473 17.988 22.508 1.000 12.222 . 58 ILE AAA N . 1 ATOM 927 H H . ILE AAA 1 58 H . ILE 58 3.160 17.263 22.054 1.000 12.195 . 58 ILE AAA H c 1 ATOM 928 C CA . ILE AAA 1 58 CA . ILE 58 3.219 17.930 23.965 1.000 12.383 . 58 ILE AAA CA . 1 ATOM 929 H HA . ILE AAA 1 58 HA . ILE 58 2.947 18.820 24.255 1.000 12.146 . 58 ILE AAA HA c 1 ATOM 930 C CB . ILE AAA 1 58 CB . ILE 58 2.064 16.976 24.255 1.000 11.946 . 58 ILE AAA CB . 1 ATOM 931 H HB . ILE AAA 1 58 HB . ILE 58 2.247 16.114 23.811 1.000 12.389 . 58 ILE AAA HB c 1 ATOM 932 C CG1 . ILE AAA 1 58 CG1 . ILE 58 0.766 17.556 23.687 1.000 12.444 . 58 ILE AAA CG1 . 1 ATOM 933 H HG12 . ILE AAA 1 58 HG12 . ILE 58 0.892 17.737 22.732 1.000 12.406 . 58 ILE AAA HG12 c 1 ATOM 934 H HG13 . ILE AAA 1 58 HG13 . ILE 58 0.583 18.411 24.133 1.000 12.406 . 58 ILE AAA HG13 c 1 ATOM 935 C CG2 . ILE AAA 1 58 CG2 . ILE 58 1.953 16.748 25.753 1.000 13.360 . 58 ILE AAA CG2 . 1 ATOM 936 H HG21 . ILE AAA 1 58 HG21 . ILE 58 2.622 16.100 26.036 1.000 12.903 . 58 ILE AAA HG21 c 1 ATOM 937 H HG22 . ILE AAA 1 58 HG22 . ILE 58 1.069 16.409 25.969 1.000 12.903 . 58 ILE AAA HG22 c 1 ATOM 938 C CD1 . ILE AAA 1 58 CD1 . ILE 58 -0.424 16.668 23.851 1.000 12.796 . 58 ILE AAA CD1 . 1 ATOM 939 H HD11 . ILE AAA 1 58 HD11 . ILE 58 -0.131 15.759 24.033 1.000 12.686 . 58 ILE AAA HD11 c 1 ATOM 940 H HD12 . ILE AAA 1 58 HD12 . ILE 58 -0.952 16.679 23.034 1.000 12.686 . 58 ILE AAA HD12 c 1 ATOM 941 H HD13 . ILE AAA 1 58 HD13 . ILE 58 -0.968 16.987 24.591 1.000 12.685 . 58 ILE AAA HD13 c 1 ATOM 942 H HG23 . ILE AAA 1 58 HG23 . ILE 58 2.098 17.587 26.224 1.000 12.903 . 58 ILE AAA HG23 c 1 ATOM 943 C C . ILE AAA 1 58 C . ILE 58 4.517 17.566 24.695 1.000 11.722 . 58 ILE AAA C . 1 ATOM 944 O O . ILE AAA 1 58 O . ILE 58 5.156 16.577 24.369 1.000 11.056 . 58 ILE AAA O . 1 ATOM 946 N N . ASN AAA 1 59 N . ASN 59 4.810 18.366 25.717 1.000 12.560 . 59 ASN AAA N . 1 ATOM 947 H H . ASN AAA 1 59 H . ASN 59 4.225 19.003 26.006 1.000 12.415 . 59 ASN AAA H c 1 ATOM 948 C CA . ASN AAA 1 59 CA . ASN 59 6.048 18.339 26.513 1.000 12.767 . 59 ASN AAA CA . 1 ATOM 949 H HA . ASN AAA 1 59 HA . ASN 59 6.797 18.166 25.896 1.000 12.969 . 59 ASN AAA HA c 1 ATOM 950 C CB . ASN AAA 1 59 CB . ASN 59 6.269 19.715 27.118 1.000 14.675 . 59 ASN AAA CB . 1 ATOM 951 H HB3 . ASN AAA 1 59 HB3 . ASN 59 5.663 19.830 27.878 1.000 14.309 . 59 ASN AAA HB3 c 1 ATOM 952 H HB2 . ASN AAA 1 59 HB2 . ASN 59 6.050 20.396 26.449 1.000 14.311 . 59 ASN AAA HB2 c 1 ATOM 953 C CG . ASN AAA 1 59 CG . ASN 59 7.687 19.921 27.583 1.000 15.176 . 59 ASN AAA CG . 1 ATOM 954 O OD1 . ASN AAA 1 59 OD1 . ASN 59 8.326 18.967 28.045 1.000 19.959 . 59 ASN AAA OD1 . 1 ATOM 955 N ND2 . ASN AAA 1 59 ND2 . ASN 59 8.177 21.155 27.453 1.000 17.950 . 59 ASN AAA ND2 . 1 ATOM 956 H HD21 . ASN AAA 1 59 HD21 . ASN 59 8.918 21.656 27.540 0.000 15.000 . 59 ASN AAA HD21 c 1 ATOM 957 H HD22 . ASN AAA 1 59 HD22 . ASN 59 7.640 21.732 26.700 0.000 15.000 . 59 ASN AAA HD22 c 1 ATOM 958 C C . ASN AAA 1 59 C . ASN 59 6.064 17.260 27.602 1.000 12.266 . 59 ASN AAA C . 1 ATOM 959 O O . ASN AAA 1 59 O . ASN 59 5.170 17.164 28.454 1.000 12.931 . 59 ASN AAA O . 1 ATOM 961 N N . SER AAA 1 60 N . SER 60 7.129 16.479 27.621 1.000 12.848 . 60 SER AAA N . 1 ATOM 962 H H . SER AAA 1 60 H . SER 60 7.798 16.529 27.004 1.000 12.589 . 60 SER AAA H c 1 ATOM 963 C CA . SER AAA 1 60 CA . SER 60 7.378 15.429 28.644 1.000 12.360 . 60 SER AAA CA . 1 ATOM 964 H HA . SER AAA 1 60 HA . SER 60 6.557 14.871 28.711 1.000 12.454 . 60 SER AAA HA c 1 ATOM 965 C CB . SER AAA 1 60 CB . SER 60 8.507 14.548 28.187 1.000 11.616 . 60 SER AAA CB . 1 ATOM 966 H HB3 . SER AAA 1 60 HB3 . SER 60 8.314 14.235 27.277 1.000 11.508 . 60 SER AAA HB3 c 1 ATOM 967 H HB2 . SER AAA 1 60 HB2 . SER 60 8.548 13.758 28.771 1.000 11.510 . 60 SER AAA HB2 c 1 ATOM 968 O OG . SER AAA 1 60 OG . SER 60 9.776 15.191 28.195 1.000 10.501 . 60 SER AAA OG . 1 ATOM 969 H HG . SER AAA 1 60 HG . SER 60 10.273 14.560 27.912 0.000 15.000 . 60 SER AAA HG c 1 ATOM 970 C C . SER AAA 1 60 C . SER 60 7.649 16.046 30.039 1.000 13.162 . 60 SER AAA C . 1 ATOM 971 O O . SER AAA 1 60 O . SER 60 7.726 15.311 31.025 1.000 13.351 . 60 SER AAA O . 1 ATOM 973 N N . ARG AAA 1 61 N . ARG 61 7.888 17.350 30.143 1.000 13.177 . 61 ARG AAA N . 1 ATOM 974 H H . ARG AAA 1 61 H . ARG 61 7.899 17.918 29.435 1.000 13.363 . 61 ARG AAA H c 1 ATOM 975 C CA . ARG AAA 1 61 CA . ARG 61 8.198 17.981 31.447 1.000 13.964 . 61 ARG AAA CA . 1 ATOM 976 H HA . ARG AAA 1 61 HA . ARG 61 8.958 17.503 31.851 1.000 14.020 . 61 ARG AAA HA c 1 ATOM 977 C CB . ARG AAA 1 61 CB . ARG 61 8.600 19.451 31.223 1.000 15.124 . 61 ARG AAA CB . 1 ATOM 978 H HB3 . ARG AAA 1 61 HB3 . ARG 61 7.911 19.875 30.671 1.000 14.918 . 61 ARG AAA HB3 c 1 ATOM 979 H HB2 . ARG AAA 1 61 HB2 . ARG 61 9.436 19.463 30.711 1.000 14.922 . 61 ARG AAA HB2 c 1 ATOM 980 C CG . ARG AAA 1 61 CG . ARG 61 8.794 20.296 32.481 1.000 15.468 . 61 ARG AAA CG . 1 ATOM 981 H HG3 . ARG AAA 1 61 HG3 . ARG 61 8.117 20.049 33.143 1.000 15.487 . 61 ARG AAA HG3 c 1 ATOM 982 H HG2 . ARG AAA 1 61 HG2 . ARG 61 8.648 21.239 32.252 1.000 15.480 . 61 ARG AAA HG2 c 1 ATOM 983 C CD . ARG AAA 1 61 CD . ARG 61 10.152 20.163 33.097 0.500 15.861 . 61 ARG AAA CD . 1 ATOM 984 H HD3 . ARG AAA 1 61 HD3 . ARG 61 10.804 20.642 32.542 0.500 15.633 . 61 ARG AAA HD3 c 1 ATOM 985 H HD2 . ARG AAA 1 61 HD2 . ARG 61 10.408 19.216 33.107 0.500 15.633 . 61 ARG AAA HD2 c 1 ATOM 986 N NE . ARG AAA 1 61 NE . ARG 61 10.210 20.683 34.449 0.500 15.293 . 61 ARG AAA NE . 1 ATOM 987 H HE . ARG AAA 1 61 HE . ARG 61 10.697 21.392 34.589 0.500 15.788 . 61 ARG AAA HE c 1 ATOM 988 C CZ . ARG AAA 1 61 CZ . ARG 61 9.633 20.119 35.502 0.500 16.525 . 61 ARG AAA CZ . 1 ATOM 989 N NH1 . ARG AAA 1 61 NH1 . ARG 61 8.872 19.040 35.378 0.500 17.485 . 61 ARG AAA NH1 . 1 ATOM 990 H HH11 . ARG AAA 1 61 HH11 . ARG 61 8.778 18.654 34.596 0.500 17.099 . 61 ARG AAA HH11 c 1 ATOM 991 H HH12 . ARG AAA 1 61 HH12 . ARG 61 8.491 18.692 36.090 0.500 17.106 . 61 ARG AAA HH12 c 1 ATOM 992 N NH2 . ARG AAA 1 61 NH2 . ARG 61 9.762 20.677 36.686 0.500 17.023 . 61 ARG AAA NH2 . 1 ATOM 993 H HH21 . ARG AAA 1 61 HH21 . ARG 61 10.252 21.403 36.777 0.500 16.833 . 61 ARG AAA HH21 c 1 ATOM 994 H HH22 . ARG AAA 1 61 HH22 . ARG 61 9.364 20.318 37.385 0.500 16.833 . 61 ARG AAA HH22 c 1 ATOM 995 C C . ARG AAA 1 61 C . ARG 61 6.971 17.835 32.374 1.000 13.911 . 61 ARG AAA C . 1 ATOM 996 O O . ARG AAA 1 61 O . ARG 61 7.125 17.694 33.598 1.000 14.270 . 61 ARG AAA O . 1 ATOM 998 N N . TRP AAA 1 62 N . TRP 62 5.760 17.939 31.831 1.000 14.574 . 62 TRP AAA N . 1 ATOM 999 H H . TRP AAA 1 62 H . TRP 62 5.625 18.030 30.936 1.000 14.226 . 62 TRP AAA H c 1 ATOM 1000 C CA . TRP AAA 1 62 CA . TRP 62 4.510 17.963 32.620 1.000 13.808 . 62 TRP AAA CA . 1 ATOM 1001 H HA . TRP AAA 1 62 HA . TRP 62 4.744 17.764 33.555 1.000 14.158 . 62 TRP AAA HA c 1 ATOM 1002 C CB . TRP AAA 1 62 CB . TRP 62 3.859 19.335 32.595 1.000 14.571 . 62 TRP AAA CB . 1 ATOM 1003 H HB3 . TRP AAA 1 62 HB3 . TRP 62 3.103 19.321 33.216 1.000 14.894 . 62 TRP AAA HB3 c 1 ATOM 1004 H HB2 . TRP AAA 1 62 HB2 . TRP 62 3.499 19.482 31.697 1.000 14.897 . 62 TRP AAA HB2 c 1 ATOM 1005 C CG . TRP AAA 1 62 CG . TRP 62 4.742 20.477 32.946 1.000 16.878 . 62 TRP AAA CG . 1 ATOM 1006 C CD1 . TRP AAA 1 62 CD1 . TRP 62 5.069 21.502 32.119 1.000 16.955 . 62 TRP AAA CD1 . 1 ATOM 1007 H HD1 . TRP AAA 1 62 HD1 . TRP 62 4.776 21.602 31.226 1.000 17.329 . 62 TRP AAA HD1 c 1 ATOM 1008 N NE1 . TRP AAA 1 62 NE1 . TRP 62 5.897 22.373 32.768 1.000 17.844 . 62 TRP AAA NE1 . 1 ATOM 1009 H HE1 . TRP AAA 1 62 HE1 . TRP 62 6.219 23.111 32.420 1.000 17.961 . 62 TRP AAA HE1 c 1 ATOM 1010 C CE2 . TRP AAA 1 62 CE2 . TRP 62 6.099 21.954 34.060 1.000 18.936 . 62 TRP AAA CE2 . 1 ATOM 1011 C CD2 . TRP AAA 1 62 CD2 . TRP 62 5.404 20.735 34.206 1.000 17.456 . 62 TRP AAA CD2 . 1 ATOM 1012 C CE3 . TRP AAA 1 62 CE3 . TRP 62 5.462 20.059 35.417 1.000 18.142 . 62 TRP AAA CE3 . 1 ATOM 1013 H HE3 . TRP AAA 1 62 HE3 . TRP 62 4.984 19.255 35.540 1.000 18.429 . 62 TRP AAA HE3 c 1 ATOM 1014 C CZ3 . TRP AAA 1 62 CZ3 . TRP 62 6.197 20.601 36.438 1.000 20.174 . 62 TRP AAA CZ3 . 1 ATOM 1015 H HZ3 . TRP AAA 1 62 HZ3 . TRP 62 6.245 20.150 37.266 1.000 19.528 . 62 TRP AAA HZ3 c 1 ATOM 1016 C CH2 . TRP AAA 1 62 CH2 . TRP 62 6.914 21.795 36.263 1.000 20.393 . 62 TRP AAA CH2 . 1 ATOM 1017 H HH2 . TRP AAA 1 62 HH2 . TRP 62 7.411 22.143 36.982 1.000 20.184 . 62 TRP AAA HH2 c 1 ATOM 1018 C CZ2 . TRP AAA 1 62 CZ2 . TRP 62 6.875 22.494 35.071 1.000 21.162 . 62 TRP AAA CZ2 . 1 ATOM 1019 H HZ2 . TRP AAA 1 62 HZ2 . TRP 62 7.347 23.300 34.952 1.000 20.125 . 62 TRP AAA HZ2 c 1 ATOM 1020 C C . TRP AAA 1 62 C . TRP 62 3.461 16.941 32.159 1.000 14.110 . 62 TRP AAA C . 1 ATOM 1021 O O . TRP AAA 1 62 O . TRP 62 2.712 16.476 33.046 1.000 13.196 . 62 TRP AAA O . 1 ATOM 1023 N N . TRP AAA 1 63 N . TRP 63 3.371 16.603 30.880 1.000 13.227 . 63 TRP AAA N . 1 ATOM 1024 H H . TRP AAA 1 63 H . TRP 63 4.026 16.759 30.268 1.000 13.510 . 63 TRP AAA H c 1 ATOM 1025 C CA . TRP AAA 1 63 CA . TRP 63 2.176 15.908 30.322 1.000 13.570 . 63 TRP AAA CA . 1 ATOM 1026 H HA . TRP AAA 1 63 HA . TRP 63 1.450 16.020 30.980 1.000 13.252 . 63 TRP AAA HA c 1 ATOM 1027 C CB . TRP AAA 1 63 CB . TRP 63 1.751 16.650 29.083 1.000 12.235 . 63 TRP AAA CB . 1 ATOM 1028 H HB3 . TRP AAA 1 63 HB3 . TRP 63 0.886 16.309 28.787 1.000 12.588 . 63 TRP AAA HB3 c 1 ATOM 1029 H HB2 . TRP AAA 1 63 HB2 . TRP 63 2.408 16.492 28.376 1.000 12.589 . 63 TRP AAA HB2 c 1 ATOM 1030 C CG . TRP AAA 1 63 CG . TRP 63 1.652 18.105 29.367 1.000 12.443 . 63 TRP AAA CG . 1 ATOM 1031 C CD1 . TRP AAA 1 63 CD1 . TRP 63 2.497 19.103 28.943 1.000 12.631 . 63 TRP AAA CD1 . 1 ATOM 1032 H HD1 . TRP AAA 1 63 HD1 . TRP 63 3.270 18.986 28.413 1.000 12.711 . 63 TRP AAA HD1 c 1 ATOM 1033 N NE1 . TRP AAA 1 63 NE1 . TRP 63 2.075 20.296 29.467 1.000 12.843 . 63 TRP AAA NE1 . 1 ATOM 1034 H HE1 . TRP AAA 1 63 HE1 . TRP 63 2.457 21.067 29.324 1.000 12.851 . 63 TRP AAA HE1 c 1 ATOM 1035 C CE2 . TRP AAA 1 63 CE2 . TRP 63 0.933 20.100 30.185 1.000 12.788 . 63 TRP AAA CE2 . 1 ATOM 1036 C CD2 . TRP AAA 1 63 CD2 . TRP 63 0.648 18.716 30.181 1.000 12.484 . 63 TRP AAA CD2 . 1 ATOM 1037 C CE3 . TRP AAA 1 63 CE3 . TRP 63 -0.490 18.237 30.856 1.000 13.529 . 63 TRP AAA CE3 . 1 ATOM 1038 H HE3 . TRP AAA 1 63 HE3 . TRP 63 -0.699 17.317 30.858 1.000 13.396 . 63 TRP AAA HE3 c 1 ATOM 1039 C CZ3 . TRP AAA 1 63 CZ3 . TRP 63 -1.273 19.149 31.550 1.000 14.263 . 63 TRP AAA CZ3 . 1 ATOM 1040 H HZ3 . TRP AAA 1 63 HZ3 . TRP 63 -2.028 18.846 32.028 1.000 13.891 . 63 TRP AAA HZ3 c 1 ATOM 1041 C CH2 . TRP AAA 1 63 CH2 . TRP 63 -0.945 20.508 31.573 1.000 14.008 . 63 TRP AAA CH2 . 1 ATOM 1042 H HH2 . TRP AAA 1 63 HH2 . TRP 63 -1.502 21.100 32.048 1.000 13.771 . 63 TRP AAA HH2 c 1 ATOM 1043 C CZ2 . TRP AAA 1 63 CZ2 . TRP 63 0.156 21.019 30.913 1.000 13.255 . 63 TRP AAA CZ2 . 1 ATOM 1044 H HZ2 . TRP AAA 1 63 HZ2 . TRP 63 0.354 21.940 30.915 1.000 13.287 . 63 TRP AAA HZ2 c 1 ATOM 1045 C C . TRP AAA 1 63 C . TRP 63 2.293 14.408 30.027 1.000 13.632 . 63 TRP AAA C . 1 ATOM 1046 O O . TRP AAA 1 63 O . TRP 63 1.287 13.726 30.126 1.000 13.499 . 63 TRP AAA O . 1 ATOM 1048 N N . CYS AAA 1 64 N . CYS 64 3.459 13.874 29.714 1.000 14.704 . 64 CYS AAA N . 1 ATOM 1049 H H . CYS AAA 1 64 H . CYS 64 4.247 14.331 29.678 1.000 14.197 . 64 CYS AAA H c 1 ATOM 1050 C CA . CYS AAA 1 64 CA . CYS 64 3.592 12.455 29.376 1.000 13.681 . 64 CYS AAA CA . 1 ATOM 1051 H HA . CYS AAA 1 64 HA . CYS 64 2.856 11.968 29.805 1.000 13.780 . 64 CYS AAA HA c 1 ATOM 1052 C CB . CYS AAA 1 64 CB . CYS 64 3.485 12.245 27.863 1.000 13.687 . 64 CYS AAA CB . 1 ATOM 1053 H HB3 . CYS AAA 1 64 HB3 . CYS 64 2.617 12.580 27.557 1.000 13.398 . 64 CYS AAA HB3 c 1 ATOM 1054 H HB2 . CYS AAA 1 64 HB2 . CYS 64 3.518 11.285 27.673 1.000 13.398 . 64 CYS AAA HB2 c 1 ATOM 1055 S SG . CYS AAA 1 64 SG . CYS 64 4.788 13.065 26.896 1.000 12.506 . 64 CYS AAA SG . 1 ATOM 1056 C C . CYS AAA 1 64 C . CYS 64 4.904 11.907 29.910 1.000 13.213 . 64 CYS AAA C . 1 ATOM 1057 O O . CYS AAA 1 64 O . CYS 64 5.825 12.676 30.225 1.000 13.217 . 64 CYS AAA O . 1 ATOM 1059 N N . ASN AAA 1 65 N . ASN 65 4.993 10.596 29.979 1.000 13.942 . 65 ASN AAA N . 1 ATOM 1060 H H . ASN AAA 1 65 H . ASN 65 4.333 10.025 29.719 1.000 13.705 . 65 ASN AAA H c 1 ATOM 1061 C CA . ASN AAA 1 65 CA . ASN 65 6.215 9.959 30.500 1.000 13.678 . 65 ASN AAA CA . 1 ATOM 1062 H HA . ASN AAA 1 65 HA . ASN 65 6.729 10.625 31.012 1.000 13.907 . 65 ASN AAA HA c 1 ATOM 1063 C CB . ASN AAA 1 65 CB . ASN 65 5.885 8.803 31.433 1.000 14.573 . 65 ASN AAA CB . 1 ATOM 1064 H HB3 . ASN AAA 1 65 HB3 . ASN 65 5.261 8.195 30.987 1.000 14.298 . 65 ASN AAA HB3 c 1 ATOM 1065 H HB2 . ASN AAA 1 65 HB2 . ASN 65 5.456 9.151 32.241 1.000 14.295 . 65 ASN AAA HB2 c 1 ATOM 1066 C CG . ASN AAA 1 65 CG . ASN 65 7.141 8.049 31.813 1.000 14.305 . 65 ASN AAA CG . 1 ATOM 1067 O OD1 . ASN AAA 1 65 OD1 . ASN 65 7.231 6.856 31.510 1.000 16.200 . 65 ASN AAA OD1 . 1 ATOM 1068 N ND2 . ASN AAA 1 65 ND2 . ASN 65 8.107 8.741 32.385 1.000 15.135 . 65 ASN AAA ND2 . 1 ATOM 1069 H HD21 . ASN AAA 1 65 HD21 . ASN 65 8.955 8.247 32.504 0.000 15.000 . 65 ASN AAA HD21 c 1 ATOM 1070 H HD22 . ASN AAA 1 65 HD22 . ASN 65 8.034 9.467 32.425 0.000 15.000 . 65 ASN AAA HD22 c 1 ATOM 1071 C C . ASN AAA 1 65 C . ASN 65 7.076 9.430 29.370 1.000 13.717 . 65 ASN AAA C . 1 ATOM 1072 O O . ASN AAA 1 65 O . ASN 65 6.561 8.602 28.611 1.000 12.293 . 65 ASN AAA O . 1 ATOM 1074 N N . ASP AAA 1 66 N . ASP 66 8.327 9.856 29.263 1.000 13.662 . 66 ASP AAA N . 1 ATOM 1075 H H . ASP AAA 1 66 H . ASP 66 8.682 10.521 29.774 1.000 13.686 . 66 ASP AAA H c 1 ATOM 1076 C CA . ASP AAA 1 66 CA . ASP 66 9.235 9.283 28.250 1.000 13.714 . 66 ASP AAA CA . 1 ATOM 1077 H HA . ASP AAA 1 66 HA . ASP 66 8.730 8.596 27.757 1.000 13.531 . 66 ASP AAA HA c 1 ATOM 1078 C CB . ASP AAA 1 66 CB . ASP 66 9.673 10.321 27.223 1.000 12.878 . 66 ASP AAA CB . 1 ATOM 1079 H HB3 . ASP AAA 1 66 HB3 . ASP 66 8.878 10.710 26.809 1.000 13.118 . 66 ASP AAA HB3 c 1 ATOM 1080 H HB2 . ASP AAA 1 66 HB2 . ASP 66 10.184 9.867 26.522 1.000 13.123 . 66 ASP AAA HB2 c 1 ATOM 1081 C CG . ASP AAA 1 66 CG . ASP 66 10.529 11.458 27.759 1.000 13.091 . 66 ASP AAA CG . 1 ATOM 1082 O OD1 . ASP AAA 1 66 OD1 . ASP 66 10.901 11.446 28.972 1.000 11.412 . 66 ASP AAA OD1 . 1 ATOM 1083 O OD2 . ASP AAA 1 66 OD2 . ASP 66 10.854 12.335 26.944 1.000 11.710 . 66 ASP AAA OD2 . 1 ATOM 1084 C C . ASP AAA 1 66 C . ASP 66 10.423 8.578 28.921 1.000 13.677 . 66 ASP AAA C . 1 ATOM 1085 O O . ASP AAA 1 66 O . ASP 66 11.328 8.142 28.226 1.000 14.969 . 66 ASP AAA O . 1 ATOM 1087 N N . GLY AAA 1 67 N . GLY 67 10.444 8.531 30.247 1.000 13.652 . 67 GLY AAA N . 1 ATOM 1088 H H . GLY AAA 1 67 H . GLY 67 9.815 8.936 30.757 1.000 13.611 . 67 GLY AAA H c 1 ATOM 1089 C CA . GLY AAA 1 67 CA . GLY 67 11.478 7.849 31.020 1.000 13.435 . 67 GLY AAA CA . 1 ATOM 1090 H HA3 . GLY AAA 1 67 HA3 . GLY 67 11.579 6.928 30.671 1.000 13.798 . 67 GLY AAA HA3 c 1 ATOM 1091 H HA2 . GLY AAA 1 67 HA2 . GLY 67 11.178 7.783 31.961 1.000 13.798 . 67 GLY AAA HA2 c 1 ATOM 1092 C C . GLY AAA 1 67 C . GLY 67 12.838 8.548 30.979 1.000 14.805 . 67 GLY AAA C . 1 ATOM 1093 O O . GLY AAA 1 67 O . GLY 67 13.787 7.996 31.562 1.000 15.055 . 67 GLY AAA O . 1 ATOM 1095 N N . ARG AAA 1 68 N . ARG 68 12.938 9.732 30.364 1.000 15.455 . 68 ARG AAA N . 1 ATOM 1096 H H . ARG AAA 1 68 H . ARG 68 12.249 10.170 29.963 1.000 15.041 . 68 ARG AAA H c 1 ATOM 1097 C CA . ARG AAA 1 68 CA . ARG 68 14.247 10.431 30.336 1.000 14.402 . 68 ARG AAA CA . 1 ATOM 1098 H HA . ARG AAA 1 68 HA . ARG 68 14.820 10.030 31.029 1.000 15.002 . 68 ARG AAA HA c 1 ATOM 1099 C CB . ARG AAA 1 68 CB . ARG 68 14.892 10.166 28.976 1.000 15.692 . 68 ARG AAA CB . 1 ATOM 1100 H HB3 . ARG AAA 1 68 HB3 . ARG 68 14.834 9.207 28.783 1.000 15.655 . 68 ARG AAA HB3 c 1 ATOM 1101 H HB2 . ARG AAA 1 68 HB2 . ARG 68 15.840 10.408 29.026 1.000 15.662 . 68 ARG AAA HB2 c 1 ATOM 1102 C CG . ARG AAA 1 68 CG . ARG 68 14.242 10.936 27.841 1.000 16.921 . 68 ARG AAA CG . 1 ATOM 1103 H HG3 . ARG AAA 1 68 HG3 . ARG 68 14.093 11.865 28.106 1.000 16.689 . 68 ARG AAA HG3 c 1 ATOM 1104 H HG2 . ARG AAA 1 68 HG2 . ARG 68 13.375 10.533 27.622 1.000 16.693 . 68 ARG AAA HG2 c 1 ATOM 1105 C CD . ARG AAA 1 68 CD . ARG 68 15.130 10.900 26.629 1.000 17.231 . 68 ARG AAA CD . 1 ATOM 1106 H HD3 . ARG AAA 1 68 HD3 . ARG 68 15.066 10.013 26.216 1.000 17.360 . 68 ARG AAA HD3 c 1 ATOM 1107 H HD2 . ARG AAA 1 68 HD2 . ARG 68 16.061 11.037 26.905 1.000 17.343 . 68 ARG AAA HD2 c 1 ATOM 1108 N NE . ARG AAA 1 68 NE . ARG 68 14.779 11.900 25.655 1.000 18.061 . 68 ARG AAA NE . 1 ATOM 1109 H HE . ARG AAA 1 68 HE . ARG 68 14.226 12.531 25.896 1.000 18.338 . 68 ARG AAA HE c 1 ATOM 1110 C CZ . ARG AAA 1 68 CZ . ARG 68 15.253 11.932 24.411 1.000 19.916 . 68 ARG AAA CZ . 1 ATOM 1111 N NH1 . ARG AAA 1 68 NH1 . ARG 68 16.101 10.991 24.009 1.000 19.095 . 68 ARG AAA NH1 . 1 ATOM 1112 H HH11 . ARG AAA 1 68 HH11 . ARG 68 16.354 10.356 24.559 1.000 19.289 . 68 ARG AAA HH11 c 1 ATOM 1113 H HH12 . ARG AAA 1 68 HH12 . ARG 68 16.423 11.017 23.194 1.000 19.294 . 68 ARG AAA HH12 c 1 ATOM 1114 N NH2 . ARG AAA 1 68 NH2 . ARG 68 14.878 12.917 23.591 1.000 19.662 . 68 ARG AAA NH2 . 1 ATOM 1115 H HH21 . ARG AAA 1 68 HH21 . ARG 68 14.307 13.525 23.872 1.000 19.610 . 68 ARG AAA HH21 c 1 ATOM 1116 H HH22 . ARG AAA 1 68 HH22 . ARG 68 15.184 12.942 22.765 1.000 19.622 . 68 ARG AAA HH22 c 1 ATOM 1117 C C . ARG AAA 1 68 C . ARG 68 14.162 11.930 30.616 1.000 15.264 . 68 ARG AAA C . 1 ATOM 1118 O O . ARG AAA 1 68 O . ARG 68 14.991 12.698 30.119 1.000 16.054 . 68 ARG AAA O . 1 ATOM 1120 N N . THR AAA 1 69 N . THR 69 13.176 12.354 31.395 1.000 16.372 . 69 THR AAA N . 1 ATOM 1121 H H . THR AAA 1 69 H . THR 69 12.533 11.807 31.738 1.000 15.988 . 69 THR AAA H c 1 ATOM 1122 C CA . THR AAA 1 69 CA . THR 69 13.003 13.762 31.791 1.000 15.870 . 69 THR AAA CA . 1 ATOM 1123 H HA . THR AAA 1 69 HA . THR 69 13.795 14.276 31.517 1.000 16.250 . 69 THR AAA HA c 1 ATOM 1124 C CB . THR AAA 1 69 CB . THR 69 11.740 14.386 31.146 1.000 16.491 . 69 THR AAA CB . 1 ATOM 1125 H HB . THR AAA 1 69 HB . THR 69 10.961 14.012 31.620 1.000 15.623 . 69 THR AAA HB c 1 ATOM 1126 O OG1 . THR AAA 1 69 OG1 . THR 69 11.591 14.061 29.756 1.000 14.133 . 69 THR AAA OG1 . 1 ATOM 1127 H HG1 . THR AAA 1 69 HG1 . THR 69 10.856 14.488 29.251 0.000 15.000 . 69 THR AAA HG1 c 1 ATOM 1128 C CG2 . THR AAA 1 69 CG2 . THR 69 11.709 15.893 31.337 1.000 15.040 . 69 THR AAA CG2 . 1 ATOM 1129 H HG21 . THR AAA 1 69 HG21 . THR 69 11.908 16.109 32.265 1.000 15.474 . 69 THR AAA HG21 c 1 ATOM 1130 H HG22 . THR AAA 1 69 HG22 . THR 69 10.825 16.232 31.109 1.000 15.467 . 69 THR AAA HG22 c 1 ATOM 1131 H HG23 . THR AAA 1 69 HG23 . THR 69 12.374 16.308 30.760 1.000 15.462 . 69 THR AAA HG23 c 1 ATOM 1132 C C . THR AAA 1 69 C . THR 69 12.947 13.685 33.315 1.000 16.740 . 69 THR AAA C . 1 ATOM 1133 O O . THR AAA 1 69 O . THR 69 11.868 13.871 33.887 1.000 14.888 . 69 THR AAA O . 1 ATOM 1134 N N . PRO AAA 1 70 N . PRO 70 14.065 13.354 33.989 1.000 16.439 . 70 PRO AAA N . 1 ATOM 1135 C CA . PRO AAA 1 70 CA . PRO 70 14.072 13.176 35.445 1.000 17.033 . 70 PRO AAA CA . 1 ATOM 1136 H HA . PRO AAA 1 70 HA . PRO 70 13.578 12.348 35.667 1.000 16.744 . 70 PRO AAA HA c 1 ATOM 1137 C CB . PRO AAA 1 70 CB . PRO 70 15.567 12.971 35.778 1.000 16.524 . 70 PRO AAA CB . 1 ATOM 1138 H HB3 . PRO AAA 1 70 HB3 . PRO 70 15.783 12.017 35.861 1.000 16.699 . 70 PRO AAA HB3 c 1 ATOM 1139 H HB2 . PRO AAA 1 70 HB2 . PRO 70 15.810 13.426 36.613 1.000 16.699 . 70 PRO AAA HB2 c 1 ATOM 1140 C CG . PRO AAA 1 70 CG . PRO 70 16.285 13.590 34.593 1.000 16.762 . 70 PRO AAA CG . 1 ATOM 1141 H HG3 . PRO AAA 1 70 HG3 . PRO 70 17.184 13.216 34.493 1.000 17.085 . 70 PRO AAA HG3 c 1 ATOM 1142 H HG2 . PRO AAA 1 70 HG2 . PRO 70 16.351 14.561 34.691 1.000 17.085 . 70 PRO AAA HG2 c 1 ATOM 1143 C CD . PRO AAA 1 70 CD . PRO 70 15.416 13.224 33.418 1.000 18.439 . 70 PRO AAA CD . 1 ATOM 1144 H HD3 . PRO AAA 1 70 HD3 . PRO 70 15.588 12.313 33.118 1.000 17.544 . 70 PRO AAA HD3 c 1 ATOM 1145 H HD2 . PRO AAA 1 70 HD2 . PRO 70 15.551 13.840 32.674 1.000 17.542 . 70 PRO AAA HD2 c 1 ATOM 1146 C C . PRO AAA 1 70 C . PRO 70 13.425 14.365 36.150 1.000 16.628 . 70 PRO AAA C . 1 ATOM 1147 O O . PRO AAA 1 70 O . PRO 70 13.622 15.527 35.782 1.000 17.524 . 70 PRO AAA O . 1 ATOM 1149 N N . GLY AAA 1 71 N . GLY 71 12.556 14.076 37.106 1.000 16.605 . 71 GLY AAA N . 1 ATOM 1150 H H . GLY AAA 1 71 H . GLY 71 12.328 13.218 37.311 1.000 16.676 . 71 GLY AAA H c 1 ATOM 1151 C CA . GLY AAA 1 71 CA . GLY 71 11.875 15.095 37.932 1.000 16.881 . 71 GLY AAA CA . 1 ATOM 1152 H HA3 . GLY AAA 1 71 HA3 . GLY 71 12.497 15.848 38.093 1.000 16.984 . 71 GLY AAA HA3 c 1 ATOM 1153 H HA2 . GLY AAA 1 71 HA2 . GLY 71 11.645 14.695 38.808 1.000 16.984 . 71 GLY AAA HA2 c 1 ATOM 1154 C C . GLY AAA 1 71 C . GLY 71 10.613 15.617 37.275 1.000 17.609 . 71 GLY AAA C . 1 ATOM 1155 O O . GLY AAA 1 71 O . GLY 71 9.976 16.560 37.803 1.000 18.100 . 71 GLY AAA O . 1 ATOM 1157 N N . SER AAA 1 72 N . SER 72 10.224 15.071 36.129 1.000 16.483 . 72 SER AAA N . 1 ATOM 1158 H H . SER AAA 1 72 H . SER 72 10.625 14.358 35.731 1.000 16.800 . 72 SER AAA H c 1 ATOM 1159 C CA . SER AAA 1 72 CA . SER 72 9.045 15.570 35.375 1.000 16.735 . 72 SER AAA CA . 1 ATOM 1160 H HA . SER AAA 1 72 HA . SER 72 8.981 16.548 35.519 1.000 16.683 . 72 SER AAA HA c 1 ATOM 1161 C CB . SER AAA 1 72 CB . SER 72 9.234 15.319 33.883 1.000 16.797 . 72 SER AAA CB . 1 ATOM 1162 H HB3 . SER AAA 1 72 HB3 . SER 72 10.099 15.688 33.602 1.000 16.788 . 72 SER AAA HB3 c 1 ATOM 1163 H HB2 . SER AAA 1 72 HB2 . SER 72 8.532 15.787 33.389 1.000 16.775 . 72 SER AAA HB2 c 1 ATOM 1164 O OG . SER AAA 1 72 OG . SER 72 9.184 13.938 33.562 1.000 16.886 . 72 SER AAA OG . 1 ATOM 1165 H HG . SER AAA 1 72 HG . SER 72 9.391 13.808 32.601 0.000 15.000 . 72 SER AAA HG c 1 ATOM 1166 C C . SER AAA 1 72 C . SER 72 7.737 14.933 35.852 1.000 16.612 . 72 SER AAA C . 1 ATOM 1167 O O . SER AAA 1 72 O . SER 72 7.740 13.957 36.628 1.000 16.339 . 72 SER AAA O . 1 ATOM 1169 N N . ARG AAA 1 73 N . ARG 73 6.615 15.463 35.367 1.000 16.179 . 73 ARG AAA N . 1 ATOM 1170 H H . ARG AAA 1 73 H . ARG 73 6.601 16.183 34.809 1.000 16.538 . 73 ARG AAA H c 1 ATOM 1171 C CA . ARG AAA 1 73 CA . ARG 73 5.292 14.917 35.702 1.000 17.296 . 73 ARG AAA CA . 1 ATOM 1172 H HA . ARG AAA 1 73 HA . ARG 73 5.395 14.257 36.425 1.000 17.042 . 73 ARG AAA HA c 1 ATOM 1173 C CB . ARG AAA 1 73 CB . ARG 73 4.388 16.041 36.190 1.000 17.284 . 73 ARG AAA CB . 1 ATOM 1174 H HB3 . ARG AAA 1 73 HB3 . ARG 73 3.523 15.656 36.444 1.000 17.352 . 73 ARG AAA HB3 c 1 ATOM 1175 H HB2 . ARG AAA 1 73 HB2 . ARG 73 4.234 16.663 35.450 1.000 17.339 . 73 ARG AAA HB2 c 1 ATOM 1176 C CG . ARG AAA 1 73 CG . ARG 73 4.952 16.815 37.375 1.000 17.537 . 73 ARG AAA CG . 1 ATOM 1177 H HG3 . ARG AAA 1 73 HG3 . ARG 73 5.654 17.429 37.072 1.000 17.816 . 73 ARG AAA HG3 c 1 ATOM 1178 H HG2 . ARG AAA 1 73 HG2 . ARG 73 5.336 16.194 38.030 1.000 17.816 . 73 ARG AAA HG2 c 1 ATOM 1179 C CD . ARG AAA 1 73 CD . ARG 73 3.822 17.601 38.014 0.500 19.026 . 73 ARG AAA CD . 1 ATOM 1180 H HD3 . ARG AAA 1 73 HD3 . ARG 73 3.051 17.008 38.138 0.500 18.889 . 73 ARG AAA HD3 c 1 ATOM 1181 H HD2 . ARG AAA 1 73 HD2 . ARG 73 3.548 18.317 37.401 0.500 18.895 . 73 ARG AAA HD2 c 1 ATOM 1182 N NE . ARG AAA 1 73 NE . ARG 73 4.166 18.184 39.284 0.500 20.050 . 73 ARG AAA NE . 1 ATOM 1183 H HE . ARG AAA 1 73 HE . ARG 73 4.992 18.112 39.554 0.500 19.753 . 73 ARG AAA HE c 1 ATOM 1184 C CZ . ARG AAA 1 73 CZ . ARG 73 3.294 18.746 40.119 0.500 19.750 . 73 ARG AAA CZ . 1 ATOM 1185 N NH1 . ARG AAA 1 73 NH1 . ARG 73 2.029 18.879 39.780 0.500 20.483 . 73 ARG AAA NH1 . 1 ATOM 1186 H HH11 . ARG AAA 1 73 HH11 . ARG 73 1.746 18.557 39.012 0.500 20.217 . 73 ARG AAA HH11 c 1 ATOM 1187 H HH12 . ARG AAA 1 73 HH12 . ARG 73 1.466 19.264 40.333 0.500 20.217 . 73 ARG AAA HH12 c 1 ATOM 1188 N NH2 . ARG AAA 1 73 NH2 . ARG 73 3.710 19.228 41.269 0.500 20.011 . 73 ARG AAA NH2 . 1 ATOM 1189 H HH21 . ARG AAA 1 73 HH21 . ARG 73 4.559 19.155 41.494 0.500 19.932 . 73 ARG AAA HH21 c 1 ATOM 1190 H HH22 . ARG AAA 1 73 HH22 . ARG 73 3.139 19.622 41.812 0.500 19.932 . 73 ARG AAA HH22 c 1 ATOM 1191 C C . ARG AAA 1 73 C . ARG 73 4.720 14.212 34.472 1.000 17.134 . 73 ARG AAA C . 1 ATOM 1192 O O . ARG AAA 1 73 O . ARG 73 5.283 14.338 33.389 1.000 15.075 . 73 ARG AAA O . 1 ATOM 1194 N N . ASN AAA 1 74 N . ASN 74 3.606 13.510 34.666 1.000 16.531 . 74 ASN AAA N . 1 ATOM 1195 H H . ASN AAA 1 74 H . ASN 74 3.208 13.450 35.484 1.000 16.616 . 74 ASN AAA H c 1 ATOM 1196 C CA . ASN AAA 1 74 CA . ASN 74 2.901 12.752 33.611 1.000 16.321 . 74 ASN AAA CA . 1 ATOM 1197 H HA . ASN AAA 1 74 HA . ASN 74 3.159 13.106 32.728 1.000 15.890 . 74 ASN AAA HA c 1 ATOM 1198 C CB . ASN AAA 1 74 CB . ASN 74 3.276 11.268 33.674 1.000 16.006 . 74 ASN AAA CB . 1 ATOM 1199 H HB3 . ASN AAA 1 74 HB3 . ASN 74 3.091 10.935 34.576 1.000 15.937 . 74 ASN AAA HB3 c 1 ATOM 1200 H HB2 . ASN AAA 1 74 HB2 . ASN 74 4.237 11.180 33.512 1.000 15.942 . 74 ASN AAA HB2 c 1 ATOM 1201 C CG . ASN AAA 1 74 CG . ASN 74 2.532 10.410 32.675 1.000 15.420 . 74 ASN AAA CG . 1 ATOM 1202 O OD1 . ASN AAA 1 74 OD1 . ASN 74 1.989 10.946 31.720 1.000 14.249 . 74 ASN AAA OD1 . 1 ATOM 1203 N ND2 . ASN AAA 1 74 ND2 . ASN 74 2.503 9.101 32.909 1.000 13.379 . 74 ASN AAA ND2 . 1 ATOM 1204 H HD21 . ASN AAA 1 74 HD21 . ASN 74 2.221 8.358 32.468 0.000 15.000 . 74 ASN AAA HD21 c 1 ATOM 1205 H HD22 . ASN AAA 1 74 HD22 . ASN 74 2.650 8.815 33.865 0.000 15.000 . 74 ASN AAA HD22 c 1 ATOM 1206 C C . ASN AAA 1 74 C . ASN 74 1.409 12.998 33.841 1.000 14.290 . 74 ASN AAA C . 1 ATOM 1207 O O . ASN AAA 1 74 O . ASN 74 0.662 12.037 34.110 1.000 14.381 . 74 ASN AAA O . 1 ATOM 1209 N N . LEU AAA 1 75 N . LEU 75 0.996 14.268 33.733 1.000 16.800 . 75 LEU AAA N . 1 ATOM 1210 H H . LEU AAA 1 75 H . LEU 75 1.538 14.950 33.468 1.000 15.893 . 75 LEU AAA H c 1 ATOM 1211 C CA . LEU AAA 1 75 CA . LEU 75 -0.401 14.652 34.028 1.000 15.615 . 75 LEU AAA CA . 1 ATOM 1212 H HA . LEU AAA 1 75 HA . LEU 75 -0.615 14.297 34.920 1.000 15.645 . 75 LEU AAA HA c 1 ATOM 1213 C CB . LEU AAA 1 75 CB . LEU 75 -0.485 16.170 34.085 1.000 15.030 . 75 LEU AAA CB . 1 ATOM 1214 H HB3 . LEU AAA 1 75 HB3 . LEU 75 -1.424 16.436 34.144 1.000 15.443 . 75 LEU AAA HB3 c 1 ATOM 1215 H HB2 . LEU AAA 1 75 HB2 . LEU 75 -0.113 16.543 33.260 1.000 15.444 . 75 LEU AAA HB2 c 1 ATOM 1216 C CG . LEU AAA 1 75 CG . LEU 75 0.275 16.740 35.284 1.000 16.233 . 75 LEU AAA CG . 1 ATOM 1217 H HG . LEU AAA 1 75 HG . LEU 75 1.209 16.419 35.240 1.000 15.750 . 75 LEU AAA HG c 1 ATOM 1218 C CD1 . LEU AAA 1 75 CD1 . LEU 75 0.297 18.257 35.254 1.000 15.655 . 75 LEU AAA CD1 . 1 ATOM 1219 H HD11 . LEU AAA 1 75 HD11 . LEU 75 0.779 18.560 34.465 1.000 15.842 . 75 LEU AAA HD11 c 1 ATOM 1220 H HD12 . LEU AAA 1 75 HD12 . LEU 75 0.740 18.590 36.053 1.000 15.842 . 75 LEU AAA HD12 c 1 ATOM 1221 H HD13 . LEU AAA 1 75 HD13 . LEU 75 -0.616 18.594 35.226 1.000 15.835 . 75 LEU AAA HD13 c 1 ATOM 1222 C CD2 . LEU AAA 1 75 CD2 . LEU 75 -0.332 16.269 36.620 1.000 15.529 . 75 LEU AAA CD2 . 1 ATOM 1223 H HD21 . LEU AAA 1 75 HD21 . LEU 75 -1.298 16.187 36.527 1.000 15.741 . 75 LEU AAA HD21 c 1 ATOM 1224 H HD22 . LEU AAA 1 75 HD22 . LEU 75 -0.129 16.915 37.318 1.000 15.742 . 75 LEU AAA HD22 c 1 ATOM 1225 H HD23 . LEU AAA 1 75 HD23 . LEU 75 0.044 15.405 36.861 1.000 15.742 . 75 LEU AAA HD23 c 1 ATOM 1226 C C . LEU AAA 1 75 C . LEU 75 -1.423 14.078 33.058 1.000 15.243 . 75 LEU AAA C . 1 ATOM 1227 O O . LEU AAA 1 75 O . LEU 75 -2.631 14.083 33.411 1.000 15.782 . 75 LEU AAA O . 1 ATOM 1229 N N . CYS AAA 1 76 N . CYS 76 -1.012 13.615 31.880 1.000 15.330 . 76 CYS AAA N . 1 ATOM 1230 H H . CYS AAA 1 76 H . CYS 76 -0.154 13.626 31.576 1.000 15.076 . 76 CYS AAA H c 1 ATOM 1231 C CA . CYS AAA 1 76 CA . CYS 76 -1.980 13.050 30.913 1.000 14.373 . 76 CYS AAA CA . 1 ATOM 1232 H HA . CYS AAA 1 76 HA . CYS 76 -2.877 13.394 31.133 1.000 14.666 . 76 CYS AAA HA c 1 ATOM 1233 C CB . CYS AAA 1 76 CB . CYS 76 -1.647 13.454 29.479 1.000 14.967 . 76 CYS AAA CB . 1 ATOM 1234 H HB3 . CYS AAA 1 76 HB3 . CYS 76 -2.159 12.894 28.860 1.000 14.483 . 76 CYS AAA HB3 c 1 ATOM 1235 H HB2 . CYS AAA 1 76 HB2 . CYS 76 -0.698 13.300 29.309 1.000 14.482 . 76 CYS AAA HB2 c 1 ATOM 1236 S SG . CYS AAA 1 76 SG . CYS 76 -2.032 15.192 29.138 1.000 13.556 . 76 CYS AAA SG . 1 ATOM 1237 C C . CYS AAA 1 76 C . CYS 76 -1.973 11.535 31.111 1.000 14.378 . 76 CYS AAA C . 1 ATOM 1238 O O . CYS AAA 1 76 O . CYS 76 -2.705 10.845 30.439 1.000 14.592 . 76 CYS AAA O . 1 ATOM 1240 N N . ASN AAA 1 77 N . ASN 77 -1.157 11.059 32.060 1.000 13.941 . 77 ASN AAA N . 1 ATOM 1241 H H . ASN AAA 1 77 H . ASN 77 -0.614 11.586 32.559 1.000 14.127 . 77 ASN AAA H c 1 ATOM 1242 C CA . ASN AAA 1 77 CA . ASN 77 -1.041 9.621 32.389 1.000 14.259 . 77 ASN AAA CA . 1 ATOM 1243 H HA . ASN AAA 1 77 HA . ASN 77 -0.243 9.502 32.954 1.000 14.169 . 77 ASN AAA HA c 1 ATOM 1244 C CB A ASN AAA 1 77 CB . ASN 77 -2.260 9.149 33.202 0.500 14.085 . 77 ASN AAA CB . 1 ATOM 1245 H HB3 . ASN AAA 1 77 HB3 . ASN 77 -2.155 8.197 33.404 0.500 14.005 . 77 ASN AAA HB3 c 1 ATOM 1246 H HB2 . ASN AAA 1 77 HB2 . ASN 77 -3.065 9.256 32.656 0.500 14.005 . 77 ASN AAA HB2 c 1 ATOM 1247 C CG A ASN AAA 1 77 CG . ASN 77 -2.445 9.903 34.499 0.500 13.584 . 77 ASN AAA CG . 1 ATOM 1248 O OD1 A ASN AAA 1 77 OD1 . ASN 77 -1.601 9.826 35.405 0.500 14.126 . 77 ASN AAA OD1 . 1 ATOM 1249 N ND2 A ASN AAA 1 77 ND2 . ASN 77 -3.560 10.611 34.605 0.500 13.509 . 77 ASN AAA ND2 . 1 ATOM 1250 H HD21 . ASN AAA 1 77 HD21 . ASN 77 -3.506 11.354 35.307 0.000 15.000 . 77 ASN AAA HD21 c 1 ATOM 1251 H HD22 . ASN AAA 1 77 HD22 . ASN 77 -3.863 11.195 33.827 0.000 15.000 . 77 ASN AAA HD22 c 1 ATOM 1252 C C . ASN AAA 1 77 C . ASN 77 -0.887 8.749 31.151 1.000 14.275 . 77 ASN AAA C . 1 ATOM 1253 O O . ASN AAA 1 77 O . ASN 77 -1.644 7.773 30.992 1.000 13.491 . 77 ASN AAA O . 1 ATOM 1255 N N . ILE AAA 1 78 N . ILE 78 0.068 9.080 30.290 1.000 14.496 . 78 ILE AAA N . 1 ATOM 1256 H H . ILE AAA 1 78 H . ILE 78 0.628 9.790 30.405 1.000 14.690 . 78 ILE AAA H c 1 ATOM 1257 C CA . ILE AAA 1 78 CA . ILE 78 0.303 8.298 29.048 1.000 15.579 . 78 ILE AAA CA . 1 ATOM 1258 H HA . ILE AAA 1 78 HA . ILE 78 -0.008 7.385 29.181 1.000 15.107 . 78 ILE AAA HA c 1 ATOM 1259 C CB . ILE AAA 1 78 CB . ILE 78 -0.447 8.918 27.859 1.000 15.164 . 78 ILE AAA CB . 1 ATOM 1260 H HB . ILE AAA 1 78 HB . ILE 78 -0.112 8.472 27.042 1.000 15.463 . 78 ILE AAA HB c 1 ATOM 1261 C CG1 . ILE AAA 1 78 CG1 . ILE 78 -0.079 10.393 27.740 1.000 15.844 . 78 ILE AAA CG1 . 1 ATOM 1262 H HG12 . ILE AAA 1 78 HG12 . ILE 78 0.890 10.489 27.834 1.000 15.809 . 78 ILE AAA HG12 c 1 ATOM 1263 H HG13 . ILE AAA 1 78 HG13 . ILE 78 -0.502 10.883 28.477 1.000 15.813 . 78 ILE AAA HG13 c 1 ATOM 1264 C CG2 . ILE AAA 1 78 CG2 . ILE 78 -1.956 8.662 27.923 1.000 15.657 . 78 ILE AAA CG2 . 1 ATOM 1265 H HG21 . ILE AAA 1 78 HG21 . ILE 78 -2.126 7.819 28.377 1.000 15.498 . 78 ILE AAA HG21 c 1 ATOM 1266 H HG22 . ILE AAA 1 78 HG22 . ILE 78 -2.317 8.621 27.021 1.000 15.502 . 78 ILE AAA HG22 c 1 ATOM 1267 C CD1 . ILE AAA 1 78 CD1 . ILE 78 -0.499 11.033 26.433 1.000 16.437 . 78 ILE AAA CD1 . 1 ATOM 1268 H HD11 . ILE AAA 1 78 HD11 . ILE 78 -0.044 10.593 25.695 1.000 16.245 . 78 ILE AAA HD11 c 1 ATOM 1269 H HD12 . ILE AAA 1 78 HD12 . ILE 78 -0.263 11.976 26.442 1.000 16.246 . 78 ILE AAA HD12 c 1 ATOM 1270 H HD13 . ILE AAA 1 78 HD13 . ILE 78 -1.460 10.942 26.320 1.000 16.245 . 78 ILE AAA HD13 c 1 ATOM 1271 H HG23 . ILE AAA 1 78 HG23 . ILE 78 -2.389 9.383 28.410 1.000 15.501 . 78 ILE AAA HG23 c 1 ATOM 1272 C C . ILE AAA 1 78 C . ILE 78 1.782 8.280 28.730 1.000 14.707 . 78 ILE AAA C . 1 ATOM 1273 O O . ILE AAA 1 78 O . ILE 78 2.543 9.188 29.077 1.000 13.616 . 78 ILE AAA O . 1 ATOM 1274 N N . PRO AAA 1 79 N . PRO 79 2.271 7.221 28.058 1.000 14.440 . 79 PRO AAA N . 1 ATOM 1275 C CA . PRO AAA 1 79 CA . PRO 79 3.655 7.221 27.596 1.000 13.987 . 79 PRO AAA CA . 1 ATOM 1276 H HA . PRO AAA 1 79 HA . PRO 79 4.272 7.495 28.320 1.000 14.148 . 79 PRO AAA HA c 1 ATOM 1277 C CB . PRO AAA 1 79 CB . PRO 79 3.902 5.782 27.172 1.000 14.223 . 79 PRO AAA CB . 1 ATOM 1278 H HB3 . PRO AAA 1 79 HB3 . PRO 79 4.185 5.227 27.928 1.000 14.152 . 79 PRO AAA HB3 c 1 ATOM 1279 H HB2 . PRO AAA 1 79 HB2 . PRO 79 4.573 5.727 26.458 1.000 14.150 . 79 PRO AAA HB2 c 1 ATOM 1280 C CG . PRO AAA 1 79 CG . PRO 79 2.536 5.377 26.676 1.000 14.147 . 79 PRO AAA CG . 1 ATOM 1281 H HG3 . PRO AAA 1 79 HG3 . PRO 79 2.450 4.403 26.637 1.000 13.869 . 79 PRO AAA HG3 c 1 ATOM 1282 H HG2 . PRO AAA 1 79 HG2 . PRO 79 2.357 5.750 25.788 1.000 13.870 . 79 PRO AAA HG2 c 1 ATOM 1283 C CD . PRO AAA 1 79 CD . PRO 79 1.600 5.965 27.715 1.000 12.932 . 79 PRO AAA CD . 1 ATOM 1284 H HD3 . PRO AAA 1 79 HD3 . PRO 79 1.521 5.382 28.492 1.000 13.557 . 79 PRO AAA HD3 c 1 ATOM 1285 H HD2 . PRO AAA 1 79 HD2 . PRO 79 0.714 6.127 27.342 1.000 13.562 . 79 PRO AAA HD2 c 1 ATOM 1286 C C . PRO AAA 1 79 C . PRO 79 3.656 8.211 26.428 1.000 14.180 . 79 PRO AAA C . 1 ATOM 1287 O O . PRO AAA 1 79 O . PRO 79 2.703 8.333 25.658 1.000 13.345 . 79 PRO AAA O . 1 ATOM 1289 N N . CYS AAA 1 80 N . CYS 80 4.704 9.017 26.384 1.000 12.876 . 80 CYS AAA N . 1 ATOM 1290 H H . CYS AAA 1 80 H . CYS 80 5.334 9.063 27.042 1.000 13.172 . 80 CYS AAA H c 1 ATOM 1291 C CA . CYS AAA 1 80 CA . CYS 80 4.975 9.949 25.272 1.000 12.871 . 80 CYS AAA CA . 1 ATOM 1292 H HA . CYS AAA 1 80 HA . CYS 80 5.733 9.333 25.185 1.000 12.838 . 80 CYS AAA HA c 1 ATOM 1293 C CB . CYS AAA 1 80 CB . CYS 80 6.152 10.899 25.398 1.000 12.236 . 80 CYS AAA CB . 1 ATOM 1294 H HB3 . CYS AAA 1 80 HB3 . CYS 80 6.068 11.577 24.700 1.000 12.219 . 80 CYS AAA HB3 c 1 ATOM 1295 H HB2 . CYS AAA 1 80 HB2 . CYS 80 6.977 10.402 25.220 1.000 12.230 . 80 CYS AAA HB2 c 1 ATOM 1296 S SG . CYS AAA 1 80 SG . CYS 80 6.357 11.754 26.960 1.000 11.601 . 80 CYS AAA SG . 1 ATOM 1297 C C . CYS AAA 1 80 C . CYS 80 4.676 9.383 23.883 1.000 13.351 . 80 CYS AAA C . 1 ATOM 1298 O O . CYS AAA 1 80 O . CYS 80 4.234 10.044 22.953 1.000 13.599 . 80 CYS AAA O . 1 ATOM 1300 N N . SER AAA 1 81 N . SER 81 5.125 8.152 23.754 1.000 12.985 . 81 SER AAA N . 1 ATOM 1301 H H . SER AAA 1 81 H . SER 81 5.514 7.657 24.414 1.000 13.202 . 81 SER AAA H c 1 ATOM 1302 C CA . SER AAA 1 81 CA . SER 81 5.033 7.431 22.460 1.000 13.537 . 81 SER AAA CA . 1 ATOM 1303 H HA . SER AAA 1 81 HA . SER 81 5.548 7.951 21.785 1.000 13.613 . 81 SER AAA HA c 1 ATOM 1304 C CB . SER AAA 1 81 CB . SER 81 5.641 6.058 22.562 1.000 14.820 . 81 SER AAA CB . 1 ATOM 1305 H HB3 . SER AAA 1 81 HB3 . SER 81 6.599 6.146 22.766 1.000 14.401 . 81 SER AAA HB3 c 1 ATOM 1306 H HB2 . SER AAA 1 81 HB2 . SER 81 5.559 5.606 21.692 1.000 14.401 . 81 SER AAA HB2 c 1 ATOM 1307 O OG . SER AAA 1 81 OG . SER 81 5.019 5.260 23.566 1.000 14.361 . 81 SER AAA OG . 1 ATOM 1308 H HG . SER AAA 1 81 HG . SER 81 5.488 4.428 23.246 0.000 15.000 . 81 SER AAA HG c 1 ATOM 1309 C C . SER AAA 1 81 C . SER 81 3.568 7.367 21.995 1.000 13.275 . 81 SER AAA C . 1 ATOM 1310 O O . SER AAA 1 81 O . SER 81 3.333 7.262 20.803 1.000 13.830 . 81 SER AAA O . 1 ATOM 1312 N N . ALA AAA 1 82 N . ALA 82 2.616 7.337 22.909 1.000 13.972 . 82 ALA AAA N . 1 ATOM 1313 H H . ALA AAA 1 82 H . ALA 82 2.765 7.332 23.807 1.000 13.785 . 82 ALA AAA H c 1 ATOM 1314 C CA . ALA AAA 1 82 CA . ALA 82 1.182 7.273 22.560 1.000 13.877 . 82 ALA AAA CA . 1 ATOM 1315 H HA . ALA AAA 1 82 HA . ALA 82 1.027 6.497 21.971 1.000 13.970 . 82 ALA AAA HA c 1 ATOM 1316 C CB . ALA AAA 1 82 CB . ALA 82 0.356 7.125 23.817 1.000 14.903 . 82 ALA AAA CB . 1 ATOM 1317 H HB3 . ALA AAA 1 82 HB3 . ALA 82 0.448 7.923 24.364 1.000 14.580 . 82 ALA AAA HB3 c 1 ATOM 1318 H HB2 . ALA AAA 1 82 HB2 . ALA 82 0.663 6.352 24.319 1.000 14.579 . 82 ALA AAA HB2 c 1 ATOM 1319 H HB1 . ALA AAA 1 82 HB1 . ALA 82 -0.579 7.004 23.579 1.000 14.596 . 82 ALA AAA HB1 c 1 ATOM 1320 C C . ALA AAA 1 82 C . ALA 82 0.794 8.564 21.808 1.000 13.292 . 82 ALA AAA C . 1 ATOM 1321 O O . ALA AAA 1 82 O . ALA 82 -0.255 8.611 21.145 1.000 14.923 . 82 ALA AAA O . 1 ATOM 1323 N N . LEU AAA 1 83 N . LEU 83 1.590 9.603 21.949 1.000 13.748 . 83 LEU AAA N . 1 ATOM 1324 H H . LEU AAA 1 83 H . LEU 83 2.315 9.596 22.495 1.000 13.587 . 83 LEU AAA H c 1 ATOM 1325 C CA . LEU AAA 1 83 CA . LEU 83 1.368 10.897 21.287 1.000 13.531 . 83 LEU AAA CA . 1 ATOM 1326 H HA . LEU AAA 1 83 HA . LEU 83 0.398 11.051 21.228 1.000 13.665 . 83 LEU AAA HA c 1 ATOM 1327 C CB . LEU AAA 1 83 CB . LEU 83 2.001 12.006 22.129 1.000 13.001 . 83 LEU AAA CB . 1 ATOM 1328 H HB3 . LEU AAA 1 83 HB3 . LEU 83 1.899 12.853 21.651 1.000 13.324 . 83 LEU AAA HB3 c 1 ATOM 1329 H HB2 . LEU AAA 1 83 HB2 . LEU 83 2.958 11.829 22.214 1.000 13.326 . 83 LEU AAA HB2 c 1 ATOM 1330 C CG . LEU AAA 1 83 CG . LEU 83 1.402 12.165 23.531 1.000 13.835 . 83 LEU AAA CG . 1 ATOM 1331 H HG . LEU AAA 1 83 HG . LEU 83 1.449 11.291 23.990 1.000 14.216 . 83 LEU AAA HG c 1 ATOM 1332 C CD1 . LEU AAA 1 83 CD1 . LEU 83 2.237 13.160 24.317 1.000 15.359 . 83 LEU AAA CD1 . 1 ATOM 1333 H HD11 . LEU AAA 1 83 HD11 . LEU 83 3.152 12.836 24.380 1.000 14.863 . 83 LEU AAA HD11 c 1 ATOM 1334 H HD12 . LEU AAA 1 83 HD12 . LEU 83 1.867 13.262 25.211 1.000 14.869 . 83 LEU AAA HD12 c 1 ATOM 1335 H HD13 . LEU AAA 1 83 HD13 . LEU 83 2.229 14.019 23.862 1.000 14.862 . 83 LEU AAA HD13 c 1 ATOM 1336 C CD2 . LEU AAA 1 83 CD2 . LEU 83 -0.073 12.588 23.446 1.000 15.279 . 83 LEU AAA CD2 . 1 ATOM 1337 H HD21 . LEU AAA 1 83 HD21 . LEU 83 -0.181 13.242 22.735 1.000 14.807 . 83 LEU AAA HD21 c 1 ATOM 1338 H HD22 . LEU AAA 1 83 HD22 . LEU 83 -0.349 12.981 24.292 1.000 14.822 . 83 LEU AAA HD22 c 1 ATOM 1339 H HD23 . LEU AAA 1 83 HD23 . LEU 83 -0.625 11.809 23.255 1.000 14.815 . 83 LEU AAA HD23 c 1 ATOM 1340 C C . LEU AAA 1 83 C . LEU 83 1.934 10.867 19.875 1.000 14.561 . 83 LEU AAA C . 1 ATOM 1341 O O . LEU AAA 1 83 O . LEU 83 1.791 11.893 19.179 1.000 14.224 . 83 LEU AAA O . 1 ATOM 1343 N N . LEU AAA 1 84 N . LEU 84 2.537 9.761 19.449 1.000 14.731 . 84 LEU AAA N . 1 ATOM 1344 H H . LEU AAA 1 84 H . LEU 84 2.625 9.009 19.949 1.000 14.553 . 84 LEU AAA H c 1 ATOM 1345 C CA . LEU AAA 1 84 CA . LEU 84 3.157 9.680 18.110 1.000 14.198 . 84 LEU AAA CA . 1 ATOM 1346 H HA . LEU AAA 1 84 HA . LEU 84 3.187 10.582 17.729 1.000 14.337 . 84 LEU AAA HA c 1 ATOM 1347 C CB . LEU AAA 1 84 CB . LEU 84 4.581 9.152 18.268 1.000 14.393 . 84 LEU AAA CB . 1 ATOM 1348 H HB3 . LEU AAA 1 84 HB3 . LEU 84 4.981 9.094 17.377 1.000 14.240 . 84 LEU AAA HB3 c 1 ATOM 1349 H HB2 . LEU AAA 1 84 HB2 . LEU 84 4.528 8.242 18.621 1.000 14.239 . 84 LEU AAA HB2 c 1 ATOM 1350 C CG . LEU AAA 1 84 CG . LEU 84 5.525 9.949 19.158 1.000 13.943 . 84 LEU AAA CG . 1 ATOM 1351 H HG . LEU AAA 1 84 HG . LEU 84 5.148 9.994 20.071 1.000 13.957 . 84 LEU AAA HG c 1 ATOM 1352 C CD1 . LEU AAA 1 84 CD1 . LEU 84 6.872 9.233 19.210 1.000 14.047 . 84 LEU AAA CD1 . 1 ATOM 1353 H HD11 . LEU AAA 1 84 HD11 . LEU 84 6.758 8.358 19.622 1.000 13.986 . 84 LEU AAA HD11 c 1 ATOM 1354 H HD12 . LEU AAA 1 84 HD12 . LEU 84 7.500 9.759 19.736 1.000 14.008 . 84 LEU AAA HD12 c 1 ATOM 1355 H HD13 . LEU AAA 1 84 HD13 . LEU 84 7.217 9.124 18.307 1.000 14.008 . 84 LEU AAA HD13 c 1 ATOM 1356 C CD2 . LEU AAA 1 84 CD2 . LEU 84 5.709 11.366 18.625 1.000 13.475 . 84 LEU AAA CD2 . 1 ATOM 1357 H HD21 . LEU AAA 1 84 HD21 . LEU 84 5.929 11.331 17.678 1.000 13.609 . 84 LEU AAA HD21 c 1 ATOM 1358 H HD22 . LEU AAA 1 84 HD22 . LEU 84 6.429 11.804 19.109 1.000 13.604 . 84 LEU AAA HD22 c 1 ATOM 1359 H HD23 . LEU AAA 1 84 HD23 . LEU 84 4.885 11.868 18.747 1.000 13.606 . 84 LEU AAA HD23 c 1 ATOM 1360 C C . LEU AAA 1 84 C . LEU 84 2.320 8.794 17.191 1.000 14.246 . 84 LEU AAA C . 1 ATOM 1361 O O . LEU AAA 1 84 O . LEU 84 2.667 8.647 16.013 1.000 13.879 . 84 LEU AAA O . 1 ATOM 1363 N N . SER AAA 1 85 N . SER 85 1.256 8.199 17.721 1.000 13.880 . 85 SER AAA N . 1 ATOM 1364 H H . SER AAA 1 85 H . SER 85 0.996 8.320 18.584 1.000 14.028 . 85 SER AAA H c 1 ATOM 1365 C CA . SER AAA 1 85 CA . SER 85 0.353 7.274 16.990 1.000 14.141 . 85 SER AAA CA . 1 ATOM 1366 H HA . SER AAA 1 85 HA . SER 85 0.893 6.493 16.693 1.000 13.998 . 85 SER AAA HA c 1 ATOM 1367 C CB A SER AAA 1 85 CB . SER 85 -0.723 6.776 17.914 0.500 13.319 . 85 SER AAA CB . 1 ATOM 1368 H HB3 . SER AAA 1 85 HB3 . SER 85 -1.198 7.545 18.305 0.500 13.568 . 85 SER AAA HB3 c 1 ATOM 1369 H HB2 . SER AAA 1 85 HB2 . SER 85 -0.312 6.266 18.648 0.500 13.567 . 85 SER AAA HB2 c 1 ATOM 1370 O OG A SER AAA 1 85 OG . SER 85 -1.653 5.948 17.225 0.500 13.565 . 85 SER AAA OG . 1 ATOM 1371 H HG . SER AAA 1 85 HG . SER 85 -2.422 5.566 17.502 0.000 15.000 . 85 SER AAA HG c 1 ATOM 1372 C C . SER AAA 1 85 C . SER 85 -0.278 7.915 15.745 1.000 14.502 . 85 SER AAA C . 1 ATOM 1373 O O . SER AAA 1 85 O . SER 85 -0.290 9.154 15.593 1.000 13.958 . 85 SER AAA O . 1 ATOM 1375 N N . SER AAA 1 86 N . SER 86 -0.786 7.082 14.860 1.000 14.518 . 86 SER AAA N . 1 ATOM 1376 H H . SER AAA 1 86 H . SER 86 -0.727 6.175 14.919 1.000 14.421 . 86 SER AAA H c 1 ATOM 1377 C CA . SER AAA 1 86 CA . SER 86 -1.516 7.540 13.653 1.000 14.142 . 86 SER AAA CA . 1 ATOM 1378 H HA . SER AAA 1 86 HA . SER 86 -1.033 8.318 13.265 1.000 14.107 . 86 SER AAA HA c 1 ATOM 1379 C CB A SER AAA 1 86 CB . SER 86 -1.588 6.426 12.603 0.500 13.715 . 86 SER AAA CB . 1 ATOM 1380 H HB3 . SER AAA 1 86 HB3 . SER 86 -0.675 6.179 12.334 0.500 13.411 . 86 SER AAA HB3 c 1 ATOM 1381 H HB2 . SER AAA 1 86 HB2 . SER 86 -2.056 6.766 11.807 0.500 13.427 . 86 SER AAA HB2 c 1 ATOM 1382 O OG A SER AAA 1 86 OG . SER 86 -2.258 5.277 13.077 0.500 12.082 . 86 SER AAA OG . 1 ATOM 1383 H HG . SER AAA 1 86 HG . SER 86 -2.303 4.607 12.722 0.000 15.000 . 86 SER AAA HG c 1 ATOM 1384 C C . SER AAA 1 86 C . SER 86 -2.898 7.996 14.105 1.000 14.016 . 86 SER AAA C . 1 ATOM 1385 O O . SER AAA 1 86 O . SER 86 -3.541 8.794 13.434 1.000 14.948 . 86 SER AAA O . 1 ATOM 1387 N N . ASP AAA 1 87 N . ASP 87 -3.325 7.467 15.243 1.000 13.365 . 87 ASP AAA N . 1 ATOM 1388 H H . ASP AAA 1 87 H . ASP 87 -2.843 6.848 15.703 1.000 13.899 . 87 ASP AAA H c 1 ATOM 1389 C CA . ASP AAA 1 87 CA . ASP 87 -4.621 7.775 15.883 1.000 15.021 . 87 ASP AAA CA . 1 ATOM 1390 H HA . ASP AAA 1 87 HA . ASP 87 -5.279 8.019 15.190 1.000 14.551 . 87 ASP AAA HA c 1 ATOM 1391 C CB . ASP AAA 1 87 CB . ASP 87 -5.131 6.574 16.676 1.000 14.625 . 87 ASP AAA CB . 1 ATOM 1392 H HB3 . ASP AAA 1 87 HB3 . ASP 87 -4.504 6.375 17.401 1.000 15.010 . 87 ASP AAA HB3 c 1 ATOM 1393 H HB2 . ASP AAA 1 87 HB2 . ASP 87 -5.167 5.796 16.083 1.000 15.038 . 87 ASP AAA HB2 c 1 ATOM 1394 C CG . ASP AAA 1 87 CG . ASP 87 -6.513 6.780 17.276 1.000 15.875 . 87 ASP AAA CG . 1 ATOM 1395 O OD1 . ASP AAA 1 87 OD1 . ASP 87 -6.826 7.887 17.721 1.000 16.817 . 87 ASP AAA OD1 . 1 ATOM 1396 O OD2 . ASP AAA 1 87 OD2 . ASP 87 -7.294 5.845 17.230 1.000 17.824 . 87 ASP AAA OD2 . 1 ATOM 1397 C C . ASP AAA 1 87 C . ASP 87 -4.377 8.974 16.806 1.000 14.682 . 87 ASP AAA C . 1 ATOM 1398 O O . ASP AAA 1 87 O . ASP 87 -3.652 8.795 17.781 1.000 14.811 . 87 ASP AAA O . 1 ATOM 1400 N N . ILE AAA 1 88 N . ILE 88 -4.954 10.144 16.543 1.000 14.268 . 88 ILE AAA N . 1 ATOM 1401 H H . ILE AAA 1 88 H . ILE 88 -5.532 10.277 15.852 1.000 14.108 . 88 ILE AAA H c 1 ATOM 1402 C CA . ILE AAA 1 88 CA . ILE 88 -4.689 11.349 17.384 1.000 13.235 . 88 ILE AAA CA . 1 ATOM 1403 H HA . ILE AAA 1 88 HA . ILE 88 -3.753 11.314 17.643 1.000 13.450 . 88 ILE AAA HA c 1 ATOM 1404 C CB . ILE AAA 1 88 CB . ILE 88 -4.879 12.647 16.588 1.000 13.250 . 88 ILE AAA CB . 1 ATOM 1405 H HB . ILE AAA 1 88 HB . ILE 88 -4.570 13.394 17.156 1.000 13.389 . 88 ILE AAA HB c 1 ATOM 1406 C CG1 . ILE AAA 1 88 CG1 . ILE 88 -6.360 12.884 16.279 1.000 13.499 . 88 ILE AAA CG1 . 1 ATOM 1407 H HG12 . ILE AAA 1 88 HG12 . ILE 88 -6.891 12.696 17.081 1.000 13.513 . 88 ILE AAA HG12 c 1 ATOM 1408 H HG13 . ILE AAA 1 88 HG13 . ILE 88 -6.642 12.262 15.576 1.000 13.531 . 88 ILE AAA HG13 c 1 ATOM 1409 C CG2 . ILE AAA 1 88 CG2 . ILE 88 -4.042 12.648 15.334 1.000 13.758 . 88 ILE AAA CG2 . 1 ATOM 1410 H HG21 . ILE AAA 1 88 HG21 . ILE 88 -3.150 12.317 15.537 1.000 13.599 . 88 ILE AAA HG21 c 1 ATOM 1411 H HG22 . ILE AAA 1 88 HG22 . ILE 88 -3.978 13.554 14.985 1.000 13.600 . 88 ILE AAA HG22 c 1 ATOM 1412 C CD1 . ILE AAA 1 88 CD1 . ILE 88 -6.647 14.289 15.826 1.000 13.800 . 88 ILE AAA CD1 . 1 ATOM 1413 H HD11 . ILE AAA 1 88 HD11 . ILE 88 -6.248 14.920 16.450 1.000 13.706 . 88 ILE AAA HD11 c 1 ATOM 1414 H HD12 . ILE AAA 1 88 HD12 . ILE 88 -7.609 14.431 15.794 1.000 13.706 . 88 ILE AAA HD12 c 1 ATOM 1415 H HD13 . ILE AAA 1 88 HD13 . ILE 88 -6.270 14.429 14.940 1.000 13.706 . 88 ILE AAA HD13 c 1 ATOM 1416 H HG23 . ILE AAA 1 88 HG23 . ILE 88 -4.454 12.073 14.665 1.000 13.600 . 88 ILE AAA HG23 c 1 ATOM 1417 C C . ILE AAA 1 88 C . ILE 88 -5.508 11.403 18.683 1.000 13.344 . 88 ILE AAA C . 1 ATOM 1418 O O . ILE AAA 1 88 O . ILE 88 -5.405 12.418 19.404 1.000 12.607 . 88 ILE AAA O . 1 ATOM 1420 N N . THR AAA 1 89 N . THR 89 -6.270 10.384 19.042 1.000 13.344 . 89 THR AAA N . 1 ATOM 1421 H H . THR AAA 1 89 H . THR 89 -6.337 9.597 18.590 1.000 13.190 . 89 THR AAA H c 1 ATOM 1422 C CA . THR AAA 1 89 CA . THR 89 -7.124 10.443 20.261 1.000 12.681 . 89 THR AAA CA . 1 ATOM 1423 H HA . THR AAA 1 89 HA . THR 89 -7.829 11.111 20.093 1.000 12.840 . 89 THR AAA HA c 1 ATOM 1424 C CB . THR AAA 1 89 CB . THR 89 -7.804 9.106 20.553 1.000 12.831 . 89 THR AAA CB . 1 ATOM 1425 H HB . THR AAA 1 89 HB . THR 89 -7.095 8.425 20.644 1.000 13.047 . 89 THR AAA HB c 1 ATOM 1426 O OG1 . THR AAA 1 89 OG1 . THR 89 -8.693 8.691 19.495 1.000 13.211 . 89 THR AAA OG1 . 1 ATOM 1427 H HG1 . THR AAA 1 89 HG1 . THR 89 -9.160 8.084 19.872 0.000 15.000 . 89 THR AAA HG1 c 1 ATOM 1428 C CG2 . THR AAA 1 89 CG2 . THR 89 -8.556 9.180 21.861 1.000 13.764 . 89 THR AAA CG2 . 1 ATOM 1429 H HG21 . THR AAA 1 89 HG21 . THR 89 -7.948 8.996 22.599 1.000 13.472 . 89 THR AAA HG21 c 1 ATOM 1430 H HG22 . THR AAA 1 89 HG22 . THR 89 -9.272 8.519 21.861 1.000 13.486 . 89 THR AAA HG22 c 1 ATOM 1431 H HG23 . THR AAA 1 89 HG23 . THR 89 -8.939 10.069 21.969 1.000 13.471 . 89 THR AAA HG23 c 1 ATOM 1432 C C . THR AAA 1 89 C . THR 89 -6.313 10.909 21.490 1.000 12.714 . 89 THR AAA C . 1 ATOM 1433 O O . THR AAA 1 89 O . THR 89 -6.727 11.842 22.191 1.000 12.982 . 89 THR AAA O . 1 ATOM 1435 N N . ALA AAA 1 90 N . ALA 90 -5.160 10.299 21.740 1.000 13.258 . 90 ALA AAA N . 1 ATOM 1436 H H . ALA AAA 1 90 H . ALA 90 -4.795 9.660 21.203 1.000 12.946 . 90 ALA AAA H c 1 ATOM 1437 C CA . ALA AAA 1 90 CA . ALA 90 -4.332 10.597 22.934 1.000 12.507 . 90 ALA AAA CA . 1 ATOM 1438 H HA . ALA AAA 1 90 HA . ALA 90 -4.883 10.468 23.741 1.000 12.636 . 90 ALA AAA HA c 1 ATOM 1439 C CB . ALA AAA 1 90 CB . ALA 90 -3.138 9.650 22.992 1.000 12.212 . 90 ALA AAA CB . 1 ATOM 1440 H HB3 . ALA AAA 1 90 HB3 . ALA 90 -2.506 9.878 22.290 1.000 12.304 . 90 ALA AAA HB3 c 1 ATOM 1441 H HB2 . ALA AAA 1 90 HB2 . ALA 90 -3.442 8.735 22.868 1.000 12.304 . 90 ALA AAA HB2 c 1 ATOM 1442 H HB1 . ALA AAA 1 90 HB1 . ALA 90 -2.702 9.730 23.857 1.000 12.303 . 90 ALA AAA HB1 c 1 ATOM 1443 C C . ALA AAA 1 90 C . ALA 90 -3.871 12.051 22.884 1.000 12.749 . 90 ALA AAA C . 1 ATOM 1444 O O . ALA AAA 1 90 O . ALA 90 -3.883 12.718 23.907 1.000 13.084 . 90 ALA AAA O . 1 ATOM 1446 N N . SER AAA 1 91 N . SER 91 -3.378 12.498 21.728 1.000 12.807 . 91 SER AAA N . 1 ATOM 1447 H H . SER AAA 1 91 H . SER 91 -3.312 12.004 20.965 1.000 12.925 . 91 SER AAA H c 1 ATOM 1448 C CA . SER AAA 1 91 CA . SER 91 -2.863 13.883 21.581 1.000 13.359 . 91 SER AAA CA . 1 ATOM 1449 H HA . SER AAA 1 91 HA . SER 91 -2.168 14.026 22.275 1.000 13.034 . 91 SER AAA HA c 1 ATOM 1450 C CB . SER AAA 1 91 CB . SER 91 -2.227 14.094 20.214 1.000 13.479 . 91 SER AAA CB . 1 ATOM 1451 H HB3 . SER AAA 1 91 HB3 . SER 91 -2.167 15.060 20.035 1.000 13.548 . 91 SER AAA HB3 c 1 ATOM 1452 H HB2 . SER AAA 1 91 HB2 . SER 91 -2.808 13.698 19.525 1.000 13.549 . 91 SER AAA HB2 c 1 ATOM 1453 O OG . SER AAA 1 91 OG . SER 91 -0.936 13.526 20.113 1.000 13.912 . 91 SER AAA OG . 1 ATOM 1454 H HG . SER AAA 1 91 HG . SER 91 -0.815 13.650 19.462 0.000 15.000 . 91 SER AAA HG c 1 ATOM 1455 C C . SER AAA 1 91 C . SER 91 -3.996 14.867 21.843 1.000 12.100 . 91 SER AAA C . 1 ATOM 1456 O O . SER AAA 1 91 O . SER 91 -3.807 15.856 22.548 1.000 12.385 . 91 SER AAA O . 1 ATOM 1458 N N . VAL AAA 1 92 N . VAL 92 -5.199 14.568 21.326 1.000 12.866 . 92 VAL AAA N . 1 ATOM 1459 H H . VAL AAA 1 92 H . VAL 92 -5.373 13.829 20.821 1.000 12.691 . 92 VAL AAA H c 1 ATOM 1460 C CA . VAL AAA 1 92 CA . VAL 92 -6.356 15.470 21.550 1.000 12.910 . 92 VAL AAA CA . 1 ATOM 1461 H HA . VAL AAA 1 92 HA . VAL 92 -6.085 16.369 21.289 1.000 12.648 . 92 VAL AAA HA c 1 ATOM 1462 C CB . VAL AAA 1 92 CB . VAL 92 -7.556 15.069 20.675 1.000 12.342 . 92 VAL AAA CB . 1 ATOM 1463 H HB . VAL AAA 1 92 HB . VAL 92 -7.696 14.097 20.791 1.000 12.665 . 92 VAL AAA HB c 1 ATOM 1464 C CG1 . VAL AAA 1 92 CG1 . VAL 92 -8.835 15.785 21.140 1.000 13.206 . 92 VAL AAA CG1 . 1 ATOM 1465 H HG11 . VAL AAA 1 92 HG11 . VAL 92 -9.268 15.260 21.836 1.000 12.934 . 92 VAL AAA HG11 c 1 ATOM 1466 H HG12 . VAL AAA 1 92 HG12 . VAL 92 -9.443 15.885 20.387 1.000 12.939 . 92 VAL AAA HG12 c 1 ATOM 1467 H HG13 . VAL AAA 1 92 HG13 . VAL 92 -8.610 16.664 21.489 1.000 12.938 . 92 VAL AAA HG13 c 1 ATOM 1468 C CG2 . VAL AAA 1 92 CG2 . VAL 92 -7.281 15.323 19.225 1.000 12.629 . 92 VAL AAA CG2 . 1 ATOM 1469 H HG21 . VAL AAA 1 92 HG21 . VAL 92 -7.174 16.278 19.077 1.000 12.540 . 92 VAL AAA HG21 c 1 ATOM 1470 H HG22 . VAL AAA 1 92 HG22 . VAL 92 -8.025 14.994 18.691 1.000 12.541 . 92 VAL AAA HG22 c 1 ATOM 1471 H HG23 . VAL AAA 1 92 HG23 . VAL 92 -6.466 14.862 18.963 1.000 12.541 . 92 VAL AAA HG23 c 1 ATOM 1472 C C . VAL AAA 1 92 C . VAL 92 -6.766 15.515 23.008 1.000 12.167 . 92 VAL AAA C . 1 ATOM 1473 O O . VAL AAA 1 92 O . VAL 92 -7.010 16.602 23.540 1.000 13.423 . 92 VAL AAA O . 1 ATOM 1475 N N . ASN AAA 1 93 N . ASN 93 -6.919 14.341 23.648 1.000 12.680 . 93 ASN AAA N . 1 ATOM 1476 H H . ASN AAA 1 93 H . ASN 93 -6.759 13.531 23.264 1.000 12.601 . 93 ASN AAA H c 1 ATOM 1477 C CA . ASN AAA 1 93 CA . ASN 93 -7.365 14.296 25.057 1.000 12.827 . 93 ASN AAA CA . 1 ATOM 1478 H HA . ASN AAA 1 93 HA . ASN 93 -8.218 14.785 25.125 1.000 13.038 . 93 ASN AAA HA c 1 ATOM 1479 C CB . ASN AAA 1 93 CB . ASN 93 -7.612 12.860 25.526 1.000 14.424 . 93 ASN AAA CB . 1 ATOM 1480 H HB3 . ASN AAA 1 93 HB3 . ASN 93 -7.784 12.867 26.489 1.000 14.308 . 93 ASN AAA HB3 c 1 ATOM 1481 H HB2 . ASN AAA 1 93 HB2 . ASN 93 -6.802 12.333 25.368 1.000 14.311 . 93 ASN AAA HB2 c 1 ATOM 1482 C CG . ASN AAA 1 93 CG . ASN 93 -8.770 12.198 24.827 1.000 15.690 . 93 ASN AAA CG . 1 ATOM 1483 O OD1 . ASN AAA 1 93 OD1 . ASN 93 -9.571 12.907 24.209 1.000 19.108 . 93 ASN AAA OD1 . 1 ATOM 1484 N ND2 . ASN AAA 1 93 ND2 . ASN 93 -8.842 10.878 24.930 1.000 15.552 . 93 ASN AAA ND2 . 1 ATOM 1485 H HD21 . ASN AAA 1 93 HD21 . ASN 93 -9.543 10.460 24.311 0.000 15.000 . 93 ASN AAA HD21 c 1 ATOM 1486 H HD22 . ASN AAA 1 93 HD22 . ASN 93 -8.219 10.508 25.077 0.000 15.000 . 93 ASN AAA HD22 c 1 ATOM 1487 C C . ASN AAA 1 93 C . ASN 93 -6.344 14.984 25.964 1.000 12.515 . 93 ASN AAA C . 1 ATOM 1488 O O . ASN AAA 1 93 O . ASN 93 -6.750 15.676 26.929 1.000 13.097 . 93 ASN AAA O . 1 ATOM 1490 N N . CYS AAA 1 94 N . CYS 94 -5.057 14.886 25.616 1.000 12.439 . 94 CYS AAA N . 1 ATOM 1491 H H . CYS AAA 1 94 H . CYS 94 -4.729 14.422 24.904 1.000 12.375 . 94 CYS AAA H c 1 ATOM 1492 C CA . CYS AAA 1 94 CA . CYS 94 -4.027 15.557 26.421 1.000 12.092 . 94 CYS AAA CA . 1 ATOM 1493 H HA . CYS AAA 1 94 HA . CYS 94 -4.241 15.414 27.371 1.000 12.299 . 94 CYS AAA HA c 1 ATOM 1494 C CB . CYS AAA 1 94 CB . CYS 94 -2.661 14.959 26.138 1.000 12.604 . 94 CYS AAA CB . 1 ATOM 1495 H HB3 . CYS AAA 1 94 HB3 . CYS 94 -2.396 15.191 25.225 1.000 12.394 . 94 CYS AAA HB3 c 1 ATOM 1496 H HB2 . CYS AAA 1 94 HB2 . CYS 94 -2.725 13.983 26.190 1.000 12.393 . 94 CYS AAA HB2 c 1 ATOM 1497 S SG . CYS AAA 1 94 SG . CYS 94 -1.349 15.507 27.271 1.000 12.228 . 94 CYS AAA SG . 1 ATOM 1498 C C . CYS AAA 1 94 C . CYS 94 -4.069 17.047 26.131 1.000 12.303 . 94 CYS AAA C . 1 ATOM 1499 O O . CYS AAA 1 94 O . CYS 94 -3.926 17.831 27.072 1.000 12.869 . 94 CYS AAA O . 1 ATOM 1501 N N . ALA AAA 1 95 N . ALA 95 -4.205 17.424 24.875 1.000 13.605 . 95 ALA AAA N . 1 ATOM 1502 H H . ALA AAA 1 95 H . ALA 95 -4.274 16.857 24.165 1.000 13.104 . 95 ALA AAA H c 1 ATOM 1503 C CA . ALA AAA 1 95 CA . ALA 95 -4.246 18.848 24.497 1.000 12.837 . 95 ALA AAA CA . 1 ATOM 1504 H HA . ALA AAA 1 95 HA . ALA 95 -3.395 19.269 24.763 1.000 12.869 . 95 ALA AAA HA c 1 ATOM 1505 C CB . ALA AAA 1 95 CB . ALA 95 -4.418 18.991 23.029 1.000 12.785 . 95 ALA AAA CB . 1 ATOM 1506 H HB3 . ALA AAA 1 95 HB3 . ALA 95 -5.245 18.561 22.755 1.000 12.801 . 95 ALA AAA HB3 c 1 ATOM 1507 H HB2 . ALA AAA 1 95 HB2 . ALA 95 -3.670 18.572 22.571 1.000 12.800 . 95 ALA AAA HB2 c 1 ATOM 1508 H HB1 . ALA AAA 1 95 HB1 . ALA 95 -4.452 19.934 22.795 1.000 12.801 . 95 ALA AAA HB1 c 1 ATOM 1509 C C . ALA AAA 1 95 C . ALA 95 -5.391 19.539 25.251 1.000 12.323 . 95 ALA AAA C . 1 ATOM 1510 O O . ALA AAA 1 95 O . ALA 95 -5.255 20.732 25.626 1.000 11.838 . 95 ALA AAA O . 1 ATOM 1512 N N . LYS AAA 1 96 N . LYS 96 -6.512 18.855 25.425 1.000 13.000 . 96 LYS AAA N . 1 ATOM 1513 H H . LYS AAA 1 96 H . LYS 96 -6.626 18.006 25.117 1.000 12.824 . 96 LYS AAA H c 1 ATOM 1514 C CA . LYS AAA 1 96 CA . LYS 96 -7.683 19.406 26.115 1.000 12.946 . 96 LYS AAA CA . 1 ATOM 1515 H HA . LYS AAA 1 96 HA . LYS 96 -7.954 20.228 25.645 1.000 12.849 . 96 LYS AAA HA c 1 ATOM 1516 C CB . LYS AAA 1 96 CB . LYS 96 -8.856 18.435 26.098 1.000 12.432 . 96 LYS AAA CB . 1 ATOM 1517 H HB3 . LYS AAA 1 96 HB3 . LYS 96 -9.517 18.733 26.757 1.000 12.467 . 96 LYS AAA HB3 c 1 ATOM 1518 H HB2 . LYS AAA 1 96 HB2 . LYS 96 -8.535 17.552 26.375 1.000 12.467 . 96 LYS AAA HB2 c 1 ATOM 1519 C CG . LYS AAA 1 96 CG . LYS 96 -9.538 18.302 24.759 1.000 12.072 . 96 LYS AAA CG . 1 ATOM 1520 H HG3 . LYS AAA 1 96 HG3 . LYS 96 -8.887 17.990 24.097 1.000 12.329 . 96 LYS AAA HG3 c 1 ATOM 1521 H HG2 . LYS AAA 1 96 HG2 . LYS 96 -9.859 19.185 24.476 1.000 12.327 . 96 LYS AAA HG2 c 1 ATOM 1522 C CD . LYS AAA 1 96 CD . LYS 96 -10.698 17.344 24.808 1.000 12.809 . 96 LYS AAA CD . 1 ATOM 1523 H HD3 . LYS AAA 1 96 HD3 . LYS 96 -11.341 17.657 25.479 1.000 12.704 . 96 LYS AAA HD3 c 1 ATOM 1524 H HD2 . LYS AAA 1 96 HD2 . LYS 96 -10.372 16.463 25.090 1.000 12.706 . 96 LYS AAA HD2 c 1 ATOM 1525 C CE . LYS AAA 1 96 CE . LYS 96 -11.409 17.201 23.479 1.000 13.120 . 96 LYS AAA CE . 1 ATOM 1526 H HE3 . LYS AAA 1 96 HE3 . LYS 96 -10.764 16.976 22.783 1.000 13.436 . 96 LYS AAA HE3 c 1 ATOM 1527 H HE2 . LYS AAA 1 96 HE2 . LYS 96 -11.835 18.046 23.240 1.000 13.437 . 96 LYS AAA HE2 c 1 ATOM 1528 N NZ . LYS AAA 1 96 NZ . LYS 96 -12.456 16.123 23.551 1.000 14.871 . 96 LYS AAA NZ . 1 ATOM 1529 H HZ1 . LYS AAA 1 96 HZ1 . LYS 96 -12.078 15.345 23.825 1.000 14.304 . 96 LYS AAA HZ1 c 1 ATOM 1530 H HZ2 . LYS AAA 1 96 HZ2 . LYS 96 -12.829 16.000 22.733 1.000 14.307 . 96 LYS AAA HZ2 c 1 ATOM 1531 H HZ3 . LYS AAA 1 96 HZ3 . LYS 96 -13.103 16.362 24.140 1.000 14.307 . 96 LYS AAA HZ3 c 1 ATOM 1532 C C . LYS AAA 1 96 C . LYS 96 -7.282 19.776 27.531 1.000 12.903 . 96 LYS AAA C . 1 ATOM 1533 O O . LYS AAA 1 96 O . LYS 96 -7.704 20.787 28.054 1.000 11.824 . 96 LYS AAA O . 1 ATOM 1535 N N . LYS AAA 1 97 N . LYS 97 -6.475 18.951 28.156 1.000 13.006 . 97 LYS AAA N . 1 ATOM 1536 H H . LYS AAA 1 97 H . LYS 97 -6.148 18.184 27.791 1.000 13.335 . 97 LYS AAA H c 1 ATOM 1537 C CA . LYS AAA 1 97 CA . LYS 97 -6.047 19.218 29.543 1.000 14.508 . 97 LYS AAA CA . 1 ATOM 1538 H HA . LYS AAA 1 97 HA . LYS 97 -6.844 19.416 30.087 1.000 14.065 . 97 LYS AAA HA c 1 ATOM 1539 C CB . LYS AAA 1 97 CB . LYS 97 -5.326 18.020 30.138 1.000 15.470 . 97 LYS AAA CB . 1 ATOM 1540 H HB3 . LYS AAA 1 97 HB3 . LYS 97 -4.954 18.275 31.008 1.000 15.750 . 97 LYS AAA HB3 c 1 ATOM 1541 H HB2 . LYS AAA 1 97 HB2 . LYS 97 -4.582 17.774 29.550 1.000 15.745 . 97 LYS AAA HB2 c 1 ATOM 1542 C CG . LYS AAA 1 97 CG . LYS 97 -6.231 16.812 30.324 1.000 17.838 . 97 LYS AAA CG . 1 ATOM 1543 H HG3 . LYS AAA 1 97 HG3 . LYS 97 -6.373 16.396 29.448 1.000 17.644 . 97 LYS AAA HG3 c 1 ATOM 1544 H HG2 . LYS AAA 1 97 HG2 . LYS 97 -7.103 17.123 30.648 1.000 17.622 . 97 LYS AAA HG2 c 1 ATOM 1545 C CD . LYS AAA 1 97 CD . LYS 97 -5.707 15.763 31.278 1.000 19.572 . 97 LYS AAA CD . 1 ATOM 1546 H HD3 . LYS AAA 1 97 HD3 . LYS 97 -5.518 16.180 32.145 1.000 19.040 . 97 LYS AAA HD3 c 1 ATOM 1547 H HD2 . LYS AAA 1 97 HD2 . LYS 97 -4.868 15.396 30.926 1.000 19.044 . 97 LYS AAA HD2 c 1 ATOM 1548 C CE . LYS AAA 1 97 CE . LYS 97 -6.689 14.647 31.474 1.000 19.095 . 97 LYS AAA CE . 1 ATOM 1549 H HE3 . LYS AAA 1 97 HE3 . LYS 97 -7.573 15.017 31.658 1.000 20.011 . 97 LYS AAA HE3 c 1 ATOM 1550 H HE2 . LYS AAA 1 97 HE2 . LYS 97 -6.421 14.105 32.239 1.000 20.032 . 97 LYS AAA HE2 c 1 ATOM 1551 N NZ . LYS AAA 1 97 NZ . LYS 97 -6.767 13.783 30.273 1.000 22.738 . 97 LYS AAA NZ . 1 ATOM 1552 H HZ1 . LYS AAA 1 97 HZ1 . LYS 97 -7.213 14.214 29.611 1.000 21.526 . 97 LYS AAA HZ1 c 1 ATOM 1553 H HZ2 . LYS AAA 1 97 HZ2 . LYS 97 -7.208 13.016 30.475 1.000 21.540 . 97 LYS AAA HZ2 c 1 ATOM 1554 H HZ3 . LYS AAA 1 97 HZ3 . LYS 97 -5.932 13.576 29.985 1.000 21.531 . 97 LYS AAA HZ3 c 1 ATOM 1555 C C . LYS AAA 1 97 C . LYS 97 -5.129 20.422 29.556 1.000 12.910 . 97 LYS AAA C . 1 ATOM 1556 O O . LYS AAA 1 97 O . LYS 97 -5.257 21.261 30.456 1.000 12.571 . 97 LYS AAA O . 1 ATOM 1558 N N . ILE AAA 1 98 N . ILE 98 -4.176 20.475 28.635 1.000 14.049 . 98 ILE AAA N . 1 ATOM 1559 H H . ILE AAA 1 98 H . ILE 98 -4.082 19.858 27.974 1.000 13.531 . 98 ILE AAA H c 1 ATOM 1560 C CA . ILE AAA 1 98 CA . ILE 98 -3.200 21.591 28.590 1.000 13.082 . 98 ILE AAA CA . 1 ATOM 1561 H HA . ILE AAA 1 98 HA . ILE 98 -2.723 21.612 29.440 1.000 12.955 . 98 ILE AAA HA c 1 ATOM 1562 C CB . ILE AAA 1 98 CB . ILE 98 -2.165 21.367 27.461 1.000 11.640 . 98 ILE AAA CB . 1 ATOM 1563 H HB . ILE AAA 1 98 HB . ILE 98 -2.654 21.358 26.601 1.000 12.223 . 98 ILE AAA HB c 1 ATOM 1564 C CG1 . ILE AAA 1 98 CG1 . ILE 98 -1.430 20.037 27.591 1.000 12.425 . 98 ILE AAA CG1 . 1 ATOM 1565 H HG12 . ILE AAA 1 98 HG12 . ILE 98 -2.092 19.318 27.633 1.000 12.147 . 98 ILE AAA HG12 c 1 ATOM 1566 H HG13 . ILE AAA 1 98 HG13 . ILE 98 -0.945 20.039 28.439 1.000 12.142 . 98 ILE AAA HG13 c 1 ATOM 1567 C CG2 . ILE AAA 1 98 CG2 . ILE 98 -1.187 22.550 27.436 1.000 12.539 . 98 ILE AAA CG2 . 1 ATOM 1568 H HG21 . ILE AAA 1 98 HG21 . ILE 98 -1.565 23.276 26.910 1.000 12.257 . 98 ILE AAA HG21 c 1 ATOM 1569 H HG22 . ILE AAA 1 98 HG22 . ILE 98 -0.344 22.272 27.038 1.000 12.256 . 98 ILE AAA HG22 c 1 ATOM 1570 C CD1 . ILE AAA 1 98 CD1 . ILE 98 -0.462 19.718 26.495 1.000 12.005 . 98 ILE AAA CD1 . 1 ATOM 1571 H HD11 . ILE AAA 1 98 HD11 . ILE 98 -0.738 20.166 25.676 1.000 12.132 . 98 ILE AAA HD11 c 1 ATOM 1572 H HD12 . ILE AAA 1 98 HD12 . ILE 98 -0.444 18.757 26.346 1.000 12.132 . 98 ILE AAA HD12 c 1 ATOM 1573 H HD13 . ILE AAA 1 98 HD13 . ILE 98 0.427 20.023 26.746 1.000 12.133 . 98 ILE AAA HD13 c 1 ATOM 1574 H HG23 . ILE AAA 1 98 HG23 . ILE 98 -1.025 22.860 28.344 1.000 12.260 . 98 ILE AAA HG23 c 1 ATOM 1575 C C . ILE AAA 1 98 C . ILE 98 -3.925 22.927 28.411 1.000 13.021 . 98 ILE AAA C . 1 ATOM 1576 O O . ILE AAA 1 98 O . ILE 98 -3.682 23.859 29.171 1.000 12.783 . 98 ILE AAA O . 1 ATOM 1578 N N . VAL AAA 1 99 N . VAL 99 -4.746 23.040 27.375 1.000 13.271 . 99 VAL AAA N . 1 ATOM 1579 H H . VAL AAA 1 99 H . VAL 99 -4.928 22.358 26.800 1.000 13.241 . 99 VAL AAA H c 1 ATOM 1580 C CA . VAL AAA 1 99 CA . VAL 99 -5.442 24.311 27.074 1.000 13.411 . 99 VAL AAA CA . 1 ATOM 1581 H HA . VAL AAA 1 99 HA . VAL 99 -4.766 25.005 26.971 1.000 13.247 . 99 VAL AAA HA c 1 ATOM 1582 C CB . VAL AAA 1 99 CB . VAL 99 -6.201 24.186 25.758 1.000 12.671 . 99 VAL AAA CB . 1 ATOM 1583 H HB . VAL AAA 1 99 HB . VAL 99 -5.602 23.737 25.113 1.000 12.854 . 99 VAL AAA HB c 1 ATOM 1584 C CG1 . VAL AAA 1 99 CG1 . VAL 99 -7.459 23.319 25.913 1.000 12.755 . 99 VAL AAA CG1 . 1 ATOM 1585 H HG11 . VAL AAA 1 99 HG11 . VAL 99 -7.244 22.525 26.438 1.000 12.731 . 99 VAL AAA HG11 c 1 ATOM 1586 H HG12 . VAL AAA 1 99 HG12 . VAL 99 -7.777 23.049 25.030 1.000 12.732 . 99 VAL AAA HG12 c 1 ATOM 1587 H HG13 . VAL AAA 1 99 HG13 . VAL 99 -8.154 23.831 26.366 1.000 12.737 . 99 VAL AAA HG13 c 1 ATOM 1588 C CG2 . VAL AAA 1 99 CG2 . VAL 99 -6.543 25.575 25.192 1.000 12.843 . 99 VAL AAA CG2 . 1 ATOM 1589 H HG21 . VAL AAA 1 99 HG21 . VAL 99 -7.208 26.004 25.757 1.000 12.795 . 99 VAL AAA HG21 c 1 ATOM 1590 H HG22 . VAL AAA 1 99 HG22 . VAL 99 -6.898 25.479 24.291 1.000 12.791 . 99 VAL AAA HG22 c 1 ATOM 1591 H HG23 . VAL AAA 1 99 HG23 . VAL 99 -5.740 26.121 25.164 1.000 12.792 . 99 VAL AAA HG23 c 1 ATOM 1592 C C . VAL AAA 1 99 C . VAL 99 -6.373 24.719 28.225 1.000 13.462 . 99 VAL AAA C . 1 ATOM 1593 O O . VAL AAA 1 99 O . VAL 99 -6.809 25.883 28.263 1.000 14.676 . 99 VAL AAA O . 1 ATOM 1595 N N . SER AAA 1 100 N . SER 100 -6.708 23.799 29.122 1.000 14.349 . 100 SER AAA N . 1 ATOM 1596 H H . SER AAA 1 100 H . SER 100 -6.443 22.931 29.082 1.000 14.250 . 100 SER AAA H c 1 ATOM 1597 C CA . SER AAA 1 100 CA . SER 100 -7.604 24.065 30.283 1.000 14.879 . 100 SER AAA CA . 1 ATOM 1598 H HA . SER AAA 1 100 HA . SER 100 -8.237 24.788 30.025 1.000 14.843 . 100 SER AAA HA c 1 ATOM 1599 C CB . SER AAA 1 100 CB . SER 100 -8.407 22.836 30.632 1.000 15.190 . 100 SER AAA CB . 1 ATOM 1600 H HB3 . SER AAA 1 100 HB3 . SER 100 -9.003 23.050 31.385 1.000 15.251 . 100 SER AAA HB3 c 1 ATOM 1601 H HB2 . SER AAA 1 100 HB2 . SER 100 -7.791 22.130 30.932 1.000 15.252 . 100 SER AAA HB2 c 1 ATOM 1602 O OG . SER AAA 1 100 OG . SER 100 -9.188 22.336 29.557 1.000 15.783 . 100 SER AAA OG . 1 ATOM 1603 H HG . SER AAA 1 100 HG . SER 100 -9.809 21.678 29.515 0.000 15.000 . 100 SER AAA HG c 1 ATOM 1604 C C . SER AAA 1 100 C . SER 100 -6.834 24.525 31.518 1.000 14.939 . 100 SER AAA C . 1 ATOM 1605 O O . SER AAA 1 100 O . SER 100 -7.483 24.888 32.505 1.000 14.231 . 100 SER AAA O . 1 ATOM 1607 N N . ASP AAA 1 101 N . ASP 101 -5.508 24.479 31.506 1.000 14.746 . 101 ASP AAA N . 1 ATOM 1608 H H . ASP AAA 1 101 H . ASP 101 -5.015 24.292 30.764 1.000 15.005 . 101 ASP AAA H c 1 ATOM 1609 C CA . ASP AAA 1 101 CA . ASP 101 -4.710 24.740 32.736 1.000 15.701 . 101 ASP AAA CA . 1 ATOM 1610 H HA . ASP AAA 1 101 HA . ASP 101 -5.171 24.282 33.478 1.000 15.413 . 101 ASP AAA HA c 1 ATOM 1611 C CB . ASP AAA 1 101 CB . ASP 101 -3.328 24.128 32.650 1.000 15.773 . 101 ASP AAA CB . 1 ATOM 1612 H HB3 . ASP AAA 1 101 HB3 . ASP 101 -3.411 23.200 32.351 1.000 15.734 . 101 ASP AAA HB3 c 1 ATOM 1613 H HB2 . ASP AAA 1 101 HB2 . ASP 101 -2.942 24.125 33.546 1.000 15.759 . 101 ASP AAA HB2 c 1 ATOM 1614 C CG . ASP AAA 1 101 CG . ASP 101 -2.351 24.837 31.731 1.000 15.654 . 101 ASP AAA CG . 1 ATOM 1615 O OD1 . ASP AAA 1 101 OD1 . ASP 101 -2.679 25.922 31.203 1.000 16.830 . 101 ASP AAA OD1 . 1 ATOM 1616 O OD2 . ASP AAA 1 101 OD2 . ASP 101 -1.257 24.289 31.549 1.000 17.578 . 101 ASP AAA OD2 . 1 ATOM 1617 C C . ASP AAA 1 101 C . ASP 101 -4.586 26.222 33.128 1.000 15.115 . 101 ASP AAA C . 1 ATOM 1618 O O . ASP AAA 1 101 O . ASP 101 -3.919 26.505 34.144 1.000 15.154 . 101 ASP AAA O . 1 ATOM 1620 N N . GLY AAA 1 102 N . GLY 102 -5.158 27.169 32.389 1.000 16.478 . 102 GLY AAA N . 1 ATOM 1621 H H . GLY AAA 1 102 H . GLY 102 -5.610 27.001 31.617 1.000 15.801 . 102 GLY AAA H c 1 ATOM 1622 C CA . GLY AAA 1 102 CA . GLY 102 -5.075 28.587 32.782 1.000 15.047 . 102 GLY AAA CA . 1 ATOM 1623 H HA3 . GLY AAA 1 102 HA3 . GLY 102 -4.506 28.664 33.588 1.000 15.270 . 102 GLY AAA HA3 c 1 ATOM 1624 H HA2 . GLY AAA 1 102 HA2 . GLY 102 -5.982 28.896 33.030 1.000 15.270 . 102 GLY AAA HA2 c 1 ATOM 1625 C C . GLY AAA 1 102 C . GLY 102 -4.521 29.505 31.700 1.000 14.628 . 102 GLY AAA C . 1 ATOM 1626 O O . GLY AAA 1 102 O . GLY 102 -4.969 30.665 31.622 1.000 14.021 . 102 GLY AAA O . 1 ATOM 1628 N N . ASN AAA 1 103 N . ASN 103 -3.596 29.039 30.876 1.000 14.629 . 103 ASN AAA N . 1 ATOM 1629 H H . ASN AAA 1 103 H . ASN 103 -3.302 28.177 30.872 1.000 14.602 . 103 ASN AAA H c 1 ATOM 1630 C CA . ASN AAA 1 103 CA . ASN 103 -2.961 29.932 29.878 1.000 14.499 . 103 ASN AAA CA . 1 ATOM 1631 H HA . ASN AAA 1 103 HA . ASN 103 -3.203 30.860 30.098 1.000 14.702 . 103 ASN AAA HA c 1 ATOM 1632 C CB . ASN AAA 1 103 CB . ASN 103 -1.442 29.821 29.993 1.000 15.868 . 103 ASN AAA CB . 1 ATOM 1633 H HB3 . ASN AAA 1 103 HB3 . ASN 103 -1.027 30.371 29.298 1.000 15.856 . 103 ASN AAA HB3 c 1 ATOM 1634 H HB2 . ASN AAA 1 103 HB2 . ASN 103 -1.178 28.890 29.844 1.000 15.873 . 103 ASN AAA HB2 c 1 ATOM 1635 C CG . ASN AAA 1 103 CG . ASN 103 -0.938 30.271 31.347 1.000 17.316 . 103 ASN AAA CG . 1 ATOM 1636 O OD1 . ASN AAA 1 103 OD1 . ASN 103 -1.559 31.155 31.959 1.000 18.834 . 103 ASN AAA OD1 . 1 ATOM 1637 N ND2 . ASN AAA 1 103 ND2 . ASN 103 0.184 29.695 31.797 1.000 18.855 . 103 ASN AAA ND2 . 1 ATOM 1638 H HD21 . ASN AAA 1 103 HD21 . ASN 103 0.211 30.171 32.757 0.000 15.000 . 103 ASN AAA HD21 c 1 ATOM 1639 H HD22 . ASN AAA 1 103 HD22 . ASN 103 0.674 29.376 31.534 0.000 15.000 . 103 ASN AAA HD22 c 1 ATOM 1640 C C . ASN AAA 1 103 C . ASN 103 -3.473 29.631 28.481 1.000 14.097 . 103 ASN AAA C . 1 ATOM 1641 O O . ASN AAA 1 103 O . ASN 103 -2.844 30.110 27.526 1.000 14.029 . 103 ASN AAA O . 1 ATOM 1643 N N . GLY AAA 1 104 N . GLY 104 -4.577 28.898 28.344 1.000 13.298 . 104 GLY AAA N . 1 ATOM 1644 H H . GLY AAA 1 104 H . GLY 104 -5.009 28.515 29.047 1.000 13.244 . 104 GLY AAA H c 1 ATOM 1645 C CA . GLY AAA 1 104 CA . GLY 104 -5.190 28.648 27.036 1.000 12.305 . 104 GLY AAA CA . 1 ATOM 1646 H HA3 . GLY AAA 1 104 HA3 . GLY 104 -5.610 29.485 26.715 1.000 12.605 . 104 GLY AAA HA3 c 1 ATOM 1647 H HA2 . GLY AAA 1 104 HA2 . GLY 104 -5.901 27.970 27.138 1.000 12.609 . 104 GLY AAA HA2 c 1 ATOM 1648 C C . GLY AAA 1 104 C . GLY 104 -4.177 28.166 26.003 1.000 12.618 . 104 GLY AAA C . 1 ATOM 1649 O O . GLY AAA 1 104 O . GLY 104 -3.266 27.372 26.324 1.000 12.114 . 104 GLY AAA O . 1 ATOM 1651 N N . MET AAA 1 105 N . MET 105 -4.288 28.620 24.771 1.000 11.801 . 105 MET AAA N . 1 ATOM 1652 H H . MET AAA 1 105 H . MET 105 -4.885 29.255 24.518 1.000 11.799 . 105 MET AAA H c 1 ATOM 1653 C CA . MET AAA 1 105 CA . MET 105 -3.394 28.131 23.702 1.000 11.060 . 105 MET AAA CA . 1 ATOM 1654 H HA . MET AAA 1 105 HA . MET 105 -3.252 27.172 23.870 1.000 11.292 . 105 MET AAA HA c 1 ATOM 1655 C CB . MET AAA 1 105 CB . MET 105 -4.021 28.269 22.310 1.000 10.717 . 105 MET AAA CB . 1 ATOM 1656 H HB3 . MET AAA 1 105 HB3 . MET 105 -3.327 28.168 21.630 1.000 10.525 . 105 MET AAA HB3 c 1 ATOM 1657 H HB2 . MET AAA 1 105 HB2 . MET 105 -4.412 29.161 22.220 1.000 10.523 . 105 MET AAA HB2 c 1 ATOM 1658 C CG . MET AAA 1 105 CG . MET 105 -5.113 27.203 22.090 1.000 9.596 . 105 MET AAA CG . 1 ATOM 1659 H HG3 . MET AAA 1 105 HG3 . MET 105 -5.898 27.432 22.631 1.000 10.204 . 105 MET AAA HG3 c 1 ATOM 1660 H HG2 . MET AAA 1 105 HG2 . MET 105 -4.779 26.333 22.398 1.000 10.204 . 105 MET AAA HG2 c 1 ATOM 1661 S SD . MET AAA 1 105 SD . MET 105 -5.617 27.050 20.374 1.000 11.144 . 105 MET AAA SD . 1 ATOM 1662 C CE . MET AAA 1 105 CE . MET 105 -4.299 26.014 19.730 1.000 11.181 . 105 MET AAA CE . 1 ATOM 1663 H HE3 . MET AAA 1 105 HE3 . MET 105 -4.260 25.192 20.236 1.000 11.170 . 105 MET AAA HE3 c 1 ATOM 1664 H HE2 . MET AAA 1 105 HE2 . MET 105 -3.457 26.479 19.808 1.000 11.170 . 105 MET AAA HE2 c 1 ATOM 1665 H HE1 . MET AAA 1 105 HE1 . MET 105 -4.472 25.813 18.802 1.000 11.170 . 105 MET AAA HE1 c 1 ATOM 1666 C C . MET AAA 1 105 C . MET 105 -2.005 28.802 23.739 1.000 11.948 . 105 MET AAA C . 1 ATOM 1667 O O . MET AAA 1 105 O . MET 105 -1.148 28.445 22.911 1.000 12.106 . 105 MET AAA O . 1 ATOM 1669 N N . ASN AAA 1 106 N . ASN 106 -1.728 29.697 24.681 1.000 11.936 . 106 ASN AAA N . 1 ATOM 1670 H H . ASN AAA 1 106 H . ASN 106 -2.324 29.964 25.314 1.000 12.075 . 106 ASN AAA H c 1 ATOM 1671 C CA . ASN AAA 1 106 CA . ASN 106 -0.405 30.360 24.768 1.000 12.523 . 106 ASN AAA CA . 1 ATOM 1672 H HA . ASN AAA 1 106 HA . ASN 106 -0.176 30.715 23.877 1.000 12.124 . 106 ASN AAA HA c 1 ATOM 1673 C CB . ASN AAA 1 106 CB . ASN 106 -0.423 31.547 25.759 1.000 11.959 . 106 ASN AAA CB . 1 ATOM 1674 H HB3 . ASN AAA 1 106 HB3 . ASN 106 0.496 31.848 25.908 1.000 12.351 . 106 ASN AAA HB3 c 1 ATOM 1675 H HB2 . ASN AAA 1 106 HB2 . ASN 106 -0.782 31.240 26.616 1.000 12.353 . 106 ASN AAA HB2 c 1 ATOM 1676 C CG . ASN AAA 1 106 CG . ASN 106 -1.249 32.714 25.265 1.000 13.097 . 106 ASN AAA CG . 1 ATOM 1677 O OD1 . ASN AAA 1 106 OD1 . ASN 106 -0.877 33.304 24.261 1.000 12.140 . 106 ASN AAA OD1 . 1 ATOM 1678 N ND2 . ASN AAA 1 106 ND2 . ASN 106 -2.376 32.992 25.938 1.000 12.146 . 106 ASN AAA ND2 . 1 ATOM 1679 H HD21 . ASN AAA 1 106 HD21 . ASN 106 -2.709 33.505 25.844 0.000 15.000 . 106 ASN AAA HD21 c 1 ATOM 1680 H HD22 . ASN AAA 1 106 HD22 . ASN 106 -2.071 32.661 26.951 0.000 15.000 . 106 ASN AAA HD22 c 1 ATOM 1681 C C . ASN AAA 1 106 C . ASN 106 0.630 29.293 25.154 1.000 11.607 . 106 ASN AAA C . 1 ATOM 1682 O O . ASN AAA 1 106 O . ASN 106 1.844 29.529 25.162 1.000 12.635 . 106 ASN AAA O . 1 ATOM 1684 N N . ALA AAA 1 107 N . ALA 107 0.143 28.132 25.590 1.000 11.396 . 107 ALA AAA N . 1 ATOM 1685 H H . ALA AAA 1 107 H . ALA 107 -0.736 27.953 25.731 1.000 11.411 . 107 ALA AAA H c 1 ATOM 1686 C CA . ALA AAA 1 107 CA . ALA 107 1.037 27.008 25.971 1.000 11.245 . 107 ALA AAA CA . 1 ATOM 1687 H HA . ALA AAA 1 107 HA . ALA 107 1.674 27.321 26.655 1.000 11.385 . 107 ALA AAA HA c 1 ATOM 1688 C CB . ALA AAA 1 107 CB . ALA 107 0.210 25.878 26.539 1.000 11.220 . 107 ALA AAA CB . 1 ATOM 1689 H HB3 . ALA AAA 1 107 HB3 . ALA 107 -0.446 25.592 25.881 1.000 11.240 . 107 ALA AAA HB3 c 1 ATOM 1690 H HB2 . ALA AAA 1 107 HB2 . ALA 107 -0.248 26.182 27.340 1.000 11.279 . 107 ALA AAA HB2 c 1 ATOM 1691 H HB1 . ALA AAA 1 107 HB1 . ALA 107 0.790 25.131 26.763 1.000 11.240 . 107 ALA AAA HB1 c 1 ATOM 1692 C C . ALA AAA 1 107 C . ALA 107 1.811 26.542 24.750 1.000 11.854 . 107 ALA AAA C . 1 ATOM 1693 O O . ALA AAA 1 107 O . ALA 107 2.908 25.994 24.888 1.000 11.954 . 107 ALA AAA O . 1 ATOM 1695 N N . TRP AAA 1 108 N . TRP 108 1.256 26.796 23.568 1.000 11.316 . 108 TRP AAA N . 1 ATOM 1696 H H . TRP AAA 1 108 H . TRP 108 0.435 27.170 23.456 1.000 11.656 . 108 TRP AAA H c 1 ATOM 1697 C CA . TRP AAA 1 108 CA . TRP 108 1.940 26.433 22.303 1.000 12.273 . 108 TRP AAA CA . 1 ATOM 1698 H HA . TRP AAA 1 108 HA . TRP 108 2.639 25.763 22.489 1.000 11.694 . 108 TRP AAA HA c 1 ATOM 1699 C CB . TRP AAA 1 108 CB . TRP 108 0.932 25.846 21.306 1.000 10.715 . 108 TRP AAA CB . 1 ATOM 1700 H HB3 . TRP AAA 1 108 HB3 . TRP 108 1.347 25.821 20.420 1.000 11.155 . 108 TRP AAA HB3 c 1 ATOM 1701 H HB2 . TRP AAA 1 108 HB2 . TRP 108 0.156 26.442 21.259 1.000 11.155 . 108 TRP AAA HB2 c 1 ATOM 1702 C CG . TRP AAA 1 108 CG . TRP 108 0.478 24.470 21.679 1.000 11.095 . 108 TRP AAA CG . 1 ATOM 1703 C CD1 . TRP AAA 1 108 CD1 . TRP 108 1.149 23.301 21.459 1.000 10.654 . 108 TRP AAA CD1 . 1 ATOM 1704 H HD1 . TRP AAA 1 108 HD1 . TRP 108 1.965 23.219 20.989 1.000 11.090 . 108 TRP AAA HD1 c 1 ATOM 1705 N NE1 . TRP AAA 1 108 NE1 . TRP 108 0.440 22.253 21.969 1.000 12.191 . 108 TRP AAA NE1 . 1 ATOM 1706 H HE1 . TRP AAA 1 108 HE1 . TRP 108 0.685 21.416 21.945 1.000 11.545 . 108 TRP AAA HE1 c 1 ATOM 1707 C CE2 . TRP AAA 1 108 CE2 . TRP 108 -0.693 22.725 22.564 1.000 11.430 . 108 TRP AAA CE2 . 1 ATOM 1708 C CD2 . TRP AAA 1 108 CD2 . TRP 108 -0.685 24.127 22.435 1.000 10.741 . 108 TRP AAA CD2 . 1 ATOM 1709 C CE3 . TRP AAA 1 108 CE3 . TRP 108 -1.786 24.830 22.928 1.000 11.187 . 108 TRP AAA CE3 . 1 ATOM 1710 H HE3 . TRP AAA 1 108 HE3 . TRP 108 -1.812 25.771 22.871 1.000 10.961 . 108 TRP AAA HE3 c 1 ATOM 1711 C CZ3 . TRP AAA 1 108 CZ3 . TRP 108 -2.768 24.140 23.622 1.000 10.598 . 108 TRP AAA CZ3 . 1 ATOM 1712 H HZ3 . TRP AAA 1 108 HZ3 . TRP 108 -3.498 24.617 23.984 1.000 10.814 . 108 TRP AAA HZ3 c 1 ATOM 1713 C CH2 . TRP AAA 1 108 CH2 . TRP 108 -2.722 22.760 23.772 1.000 10.768 . 108 TRP AAA CH2 . 1 ATOM 1714 H HH2 . TRP AAA 1 108 HH2 . TRP 108 -3.425 22.318 24.214 1.000 10.858 . 108 TRP AAA HH2 c 1 ATOM 1715 C CZ2 . TRP AAA 1 108 CZ2 . TRP 108 -1.680 22.024 23.260 1.000 11.185 . 108 TRP AAA CZ2 . 1 ATOM 1716 H HZ2 . TRP AAA 1 108 HZ2 . TRP 108 -1.654 21.085 23.335 1.000 11.129 . 108 TRP AAA HZ2 c 1 ATOM 1717 C C . TRP AAA 1 108 C . TRP 108 2.573 27.724 21.805 1.000 11.829 . 108 TRP AAA C . 1 ATOM 1718 O O . TRP AAA 1 108 O . TRP 108 1.852 28.592 21.266 1.000 11.570 . 108 TRP AAA O . 1 ATOM 1720 N N . VAL AAA 1 109 N . VAL 109 3.888 27.890 21.986 1.000 11.546 . 109 VAL AAA N . 1 ATOM 1721 H H . VAL AAA 1 109 H . VAL 109 4.429 27.262 22.363 1.000 11.674 . 109 VAL AAA H c 1 ATOM 1722 C CA . VAL AAA 1 109 CA . VAL 109 4.573 29.131 21.562 1.000 11.818 . 109 VAL AAA CA . 1 ATOM 1723 H HA . VAL AAA 1 109 HA . VAL 109 4.198 29.875 22.066 1.000 11.850 . 109 VAL AAA HA c 1 ATOM 1724 C CB A VAL AAA 1 109 CB . VAL 109 6.090 29.042 21.871 0.500 11.593 . 109 VAL AAA CB . 1 ATOM 1725 H HB . VAL AAA 1 109 HB . VAL 109 6.413 28.180 21.508 0.500 11.635 . 109 VAL AAA HB c 1 ATOM 1726 C CG1 A VAL AAA 1 109 CG1 . VAL 109 6.890 30.152 21.202 0.500 11.886 . 109 VAL AAA CG1 . 1 ATOM 1727 H HG11 . VAL AAA 1 109 HG11 . VAL 109 7.074 29.910 20.278 0.500 11.797 . 109 VAL AAA HG11 c 1 ATOM 1728 H HG12 . VAL AAA 1 109 HG12 . VAL 109 7.731 30.275 21.677 0.500 11.796 . 109 VAL AAA HG12 c 1 ATOM 1729 H HG13 . VAL AAA 1 109 HG13 . VAL 109 6.381 30.980 21.227 0.500 11.798 . 109 VAL AAA HG13 c 1 ATOM 1730 C CG2 A VAL AAA 1 109 CG2 . VAL 109 6.374 29.048 23.348 0.500 11.235 . 109 VAL AAA CG2 . 1 ATOM 1731 H HG21 . VAL AAA 1 109 HG21 . VAL 109 6.050 29.879 23.737 0.500 11.347 . 109 VAL AAA HG21 c 1 ATOM 1732 H HG22 . VAL AAA 1 109 HG22 . VAL 109 7.333 28.975 23.495 0.500 11.347 . 109 VAL AAA HG22 c 1 ATOM 1733 H HG23 . VAL AAA 1 109 HG23 . VAL 109 5.924 28.297 23.771 0.500 11.359 . 109 VAL AAA HG23 c 1 ATOM 1734 C C . VAL AAA 1 109 C . VAL 109 4.335 29.386 20.076 1.000 12.501 . 109 VAL AAA C . 1 ATOM 1735 O O . VAL AAA 1 109 O . VAL 109 4.202 30.532 19.694 1.000 12.206 . 109 VAL AAA O . 1 ATOM 1737 N N . ALA AAA 1 110 N . ALA 110 4.367 28.358 19.230 1.000 11.620 . 110 ALA AAA N . 1 ATOM 1738 H H . ALA AAA 1 110 H . ALA 110 4.504 27.489 19.468 1.000 11.804 . 110 ALA AAA H c 1 ATOM 1739 C CA . ALA AAA 1 110 CA . ALA 110 4.181 28.550 17.778 1.000 11.536 . 110 ALA AAA CA . 1 ATOM 1740 H HA . ALA AAA 1 110 HA . ALA 110 4.842 29.208 17.464 1.000 11.724 . 110 ALA AAA HA c 1 ATOM 1741 C CB . ALA AAA 1 110 CB . ALA 110 4.403 27.247 17.037 1.000 12.526 . 110 ALA AAA CB . 1 ATOM 1742 H HB3 . ALA AAA 1 110 HB3 . ALA 110 3.706 26.613 17.276 1.000 12.211 . 110 ALA AAA HB3 c 1 ATOM 1743 H HB2 . ALA AAA 1 110 HB2 . ALA 110 5.270 26.879 17.278 1.000 12.211 . 110 ALA AAA HB2 c 1 ATOM 1744 H HB1 . ALA AAA 1 110 HB1 . ALA 110 4.377 27.409 16.079 1.000 12.212 . 110 ALA AAA HB1 c 1 ATOM 1745 C C . ALA AAA 1 110 C . ALA 110 2.775 29.098 17.483 1.000 11.477 . 110 ALA AAA C . 1 ATOM 1746 O O . ALA AAA 1 110 O . ALA 110 2.614 29.835 16.498 1.000 10.867 . 110 ALA AAA O . 1 ATOM 1748 N N . TRP AAA 1 111 N . TRP 111 1.802 28.774 18.310 1.000 11.268 . 111 TRP AAA N . 1 ATOM 1749 H H . TRP AAA 1 111 H . TRP 111 1.896 28.208 19.016 1.000 11.337 . 111 TRP AAA H c 1 ATOM 1750 C CA . TRP AAA 1 111 CA . TRP 111 0.442 29.309 18.127 1.000 11.338 . 111 TRP AAA CA . 1 ATOM 1751 H HA . TRP AAA 1 111 HA . TRP 111 0.181 29.186 17.185 1.000 11.440 . 111 TRP AAA HA c 1 ATOM 1752 C CB . TRP AAA 1 111 CB . TRP 111 -0.575 28.592 19.007 1.000 11.513 . 111 TRP AAA CB . 1 ATOM 1753 H HB3 . TRP AAA 1 111 HB3 . TRP 111 -0.253 28.601 19.930 1.000 11.297 . 111 TRP AAA HB3 c 1 ATOM 1754 H HB2 . TRP AAA 1 111 HB2 . TRP 111 -0.639 27.660 18.715 1.000 11.296 . 111 TRP AAA HB2 c 1 ATOM 1755 C CG . TRP AAA 1 111 CG . TRP 111 -1.923 29.224 18.949 1.000 10.783 . 111 TRP AAA CG . 1 ATOM 1756 C CD1 . TRP AAA 1 111 CD1 . TRP 111 -2.903 28.986 18.020 1.000 10.329 . 111 TRP AAA CD1 . 1 ATOM 1757 H HD1 . TRP AAA 1 111 HD1 . TRP 111 -2.829 28.385 17.295 1.000 10.557 . 111 TRP AAA HD1 c 1 ATOM 1758 N NE1 . TRP AAA 1 111 NE1 . TRP 111 -3.976 29.823 18.228 1.000 10.680 . 111 TRP AAA NE1 . 1 ATOM 1759 H HE1 . TRP AAA 1 111 HE1 . TRP 111 -4.719 29.819 17.773 1.000 10.673 . 111 TRP AAA HE1 c 1 ATOM 1760 C CE2 . TRP AAA 1 111 CE2 . TRP 111 -3.721 30.561 19.354 1.000 10.930 . 111 TRP AAA CE2 . 1 ATOM 1761 C CD2 . TRP AAA 1 111 CD2 . TRP 111 -2.422 30.241 19.820 1.000 10.648 . 111 TRP AAA CD2 . 1 ATOM 1762 C CE3 . TRP AAA 1 111 CE3 . TRP 111 -1.933 30.881 20.964 1.000 11.156 . 111 TRP AAA CE3 . 1 ATOM 1763 H HE3 . TRP AAA 1 111 HE3 . TRP 111 -1.064 30.697 21.285 1.000 11.050 . 111 TRP AAA HE3 c 1 ATOM 1764 C CZ3 . TRP AAA 1 111 CZ3 . TRP 111 -2.720 31.851 21.559 1.000 11.411 . 111 TRP AAA CZ3 . 1 ATOM 1765 H HZ3 . TRP AAA 1 111 HZ3 . TRP 111 -2.406 32.295 22.330 1.000 11.064 . 111 TRP AAA HZ3 c 1 ATOM 1766 C CH2 . TRP AAA 1 111 CH2 . TRP 111 -3.992 32.136 21.080 1.000 10.398 . 111 TRP AAA CH2 . 1 ATOM 1767 H HH2 . TRP AAA 1 111 HH2 . TRP 111 -4.509 32.787 21.520 1.000 10.668 . 111 TRP AAA HH2 c 1 ATOM 1768 C CZ2 . TRP AAA 1 111 CZ2 . TRP 111 -4.507 31.520 19.971 1.000 10.477 . 111 TRP AAA CZ2 . 1 ATOM 1769 H HZ2 . TRP AAA 1 111 HZ2 . TRP 111 -5.369 31.723 19.652 1.000 10.598 . 111 TRP AAA HZ2 c 1 ATOM 1770 C C . TRP AAA 1 111 C . TRP 111 0.460 30.790 18.453 1.000 11.777 . 111 TRP AAA C . 1 ATOM 1771 O O . TRP AAA 1 111 O . TRP 111 -0.078 31.583 17.683 1.000 11.813 . 111 TRP AAA O . 1 ATOM 1773 N N . ARG AAA 1 112 N . ARG 112 1.053 31.140 19.578 1.000 11.585 . 112 ARG AAA N . 1 ATOM 1774 H H . ARG AAA 1 112 H . ARG 112 1.444 30.556 20.158 1.000 11.703 . 112 ARG AAA H c 1 ATOM 1775 C CA . ARG AAA 1 112 CA . ARG 112 1.097 32.564 19.967 1.000 11.892 . 112 ARG AAA CA . 1 ATOM 1776 H HA . ARG AAA 1 112 HA . ARG 112 0.171 32.893 20.039 1.000 11.991 . 112 ARG AAA HA c 1 ATOM 1777 C CB . ARG AAA 1 112 CB . ARG 112 1.784 32.738 21.322 1.000 13.222 . 112 ARG AAA CB . 1 ATOM 1778 H HB3 . ARG AAA 1 112 HB3 . ARG 112 2.683 32.350 21.274 1.000 13.315 . 112 ARG AAA HB3 c 1 ATOM 1779 H HB2 . ARG AAA 1 112 HB2 . ARG 112 1.275 32.248 22.001 1.000 13.315 . 112 ARG AAA HB2 c 1 ATOM 1780 C CG . ARG AAA 1 112 CG . ARG 112 1.893 34.209 21.738 1.000 15.143 . 112 ARG AAA CG . 1 ATOM 1781 H HG3 . ARG AAA 1 112 HG3 . ARG 112 1.026 34.644 21.589 1.000 15.035 . 112 ARG AAA HG3 c 1 ATOM 1782 H HG2 . ARG AAA 1 112 HG2 . ARG 112 2.548 34.654 21.160 1.000 15.040 . 112 ARG AAA HG2 c 1 ATOM 1783 C CD . ARG AAA 1 112 CD . ARG 112 2.306 34.432 23.205 1.000 16.822 . 112 ARG AAA CD . 1 ATOM 1784 H HD3 . ARG AAA 1 112 HD3 . ARG 112 1.564 34.164 23.786 1.000 16.778 . 112 ARG AAA HD3 c 1 ATOM 1785 H HD2 . ARG AAA 1 112 HD2 . ARG 112 2.463 35.389 23.351 1.000 16.801 . 112 ARG AAA HD2 c 1 ATOM 1786 N NE . ARG AAA 1 112 NE . ARG 112 3.497 33.688 23.593 1.000 18.513 . 112 ARG AAA NE . 1 ATOM 1787 H HE . ARG AAA 1 112 HE . ARG 112 3.390 32.984 24.096 1.000 18.718 . 112 ARG AAA HE c 1 ATOM 1788 C CZ . ARG AAA 1 112 CZ . ARG 112 4.736 34.014 23.241 1.000 20.649 . 112 ARG AAA CZ . 1 ATOM 1789 N NH1 . ARG AAA 1 112 NH1 . ARG 112 4.943 35.079 22.485 1.000 21.213 . 112 ARG AAA NH1 . 1 ATOM 1790 H HH11 . ARG AAA 1 112 HH11 . ARG 112 4.271 35.571 22.214 1.000 20.867 . 112 ARG AAA HH11 c 1 ATOM 1791 H HH12 . ARG AAA 1 112 HH12 . ARG 112 5.763 35.295 22.253 1.000 20.907 . 112 ARG AAA HH12 c 1 ATOM 1792 N NH2 . ARG AAA 1 112 NH2 . ARG 112 5.771 33.296 23.640 1.000 21.556 . 112 ARG AAA NH2 . 1 ATOM 1793 H HH21 . ARG AAA 1 112 HH21 . ARG 112 5.644 32.584 24.144 1.000 21.123 . 112 ARG AAA HH21 c 1 ATOM 1794 H HH22 . ARG AAA 1 112 HH22 . ARG 112 6.586 33.525 23.397 1.000 21.123 . 112 ARG AAA HH22 c 1 ATOM 1795 C C . ARG AAA 1 112 C . ARG 112 1.826 33.392 18.903 1.000 11.458 . 112 ARG AAA C . 1 ATOM 1796 O O . ARG AAA 1 112 O . ARG 112 1.361 34.512 18.558 1.000 11.862 . 112 ARG AAA O . 1 ATOM 1798 N N . ASN AAA 1 113 N . ASN 113 2.933 32.880 18.374 1.000 12.264 . 113 ASN AAA N . 1 ATOM 1799 H H . ASN AAA 1 113 H . ASN 113 3.242 32.043 18.560 1.000 11.932 . 113 ASN AAA H c 1 ATOM 1800 C CA . ASN AAA 1 113 CA . ASN 113 3.756 33.650 17.435 1.000 11.671 . 113 ASN AAA CA . 1 ATOM 1801 H HA . ASN AAA 1 113 HA . ASN 113 3.708 34.594 17.714 1.000 11.933 . 113 ASN AAA HA c 1 ATOM 1802 C CB . ASN AAA 1 113 CB . ASN 113 5.225 33.248 17.506 1.000 12.696 . 113 ASN AAA CB . 1 ATOM 1803 H HB3 . ASN AAA 1 113 HB3 . ASN 113 5.710 33.665 16.765 1.000 12.597 . 113 ASN AAA HB3 c 1 ATOM 1804 H HB2 . ASN AAA 1 113 HB2 . ASN 113 5.296 32.277 17.410 1.000 12.598 . 113 ASN AAA HB2 c 1 ATOM 1805 C CG . ASN AAA 1 113 CG . ASN 113 5.858 33.666 18.814 1.000 13.376 . 113 ASN AAA CG . 1 ATOM 1806 O OD1 . ASN AAA 1 113 OD1 . ASN 113 5.524 34.759 19.320 1.000 13.174 . 113 ASN AAA OD1 . 1 ATOM 1807 N ND2 . ASN AAA 1 113 ND2 . ASN 113 6.808 32.872 19.332 1.000 12.405 . 113 ASN AAA ND2 . 1 ATOM 1808 H HD21 . ASN AAA 1 113 HD21 . ASN 113 7.372 32.742 20.115 0.000 15.000 . 113 ASN AAA HD21 c 1 ATOM 1809 H HD22 . ASN AAA 1 113 HD22 . ASN 113 7.263 31.964 18.801 0.000 15.000 . 113 ASN AAA HD22 c 1 ATOM 1810 C C . ASN AAA 1 113 C . ASN 113 3.297 33.587 15.988 1.000 11.454 . 113 ASN AAA C . 1 ATOM 1811 O O . ASN AAA 1 113 O . ASN 113 3.658 34.487 15.217 1.000 11.948 . 113 ASN AAA O . 1 ATOM 1813 N N . ARG AAA 1 114 N . ARG 114 2.575 32.580 15.585 1.000 11.349 . 114 ARG AAA N . 1 ATOM 1814 H H . ARG AAA 1 114 H . ARG 114 2.281 31.914 16.132 1.000 11.603 . 114 ARG AAA H c 1 ATOM 1815 C CA . ARG AAA 1 114 CA . ARG 114 2.223 32.427 14.151 1.000 12.344 . 114 ARG AAA CA . 1 ATOM 1816 H HA . ARG AAA 1 114 HA . ARG 114 2.530 33.234 13.684 1.000 11.908 . 114 ARG AAA HA c 1 ATOM 1817 C CB . ARG AAA 1 114 CB . ARG 114 2.996 31.246 13.579 1.000 11.576 . 114 ARG AAA CB . 1 ATOM 1818 H HB3 . ARG AAA 1 114 HB3 . ARG 114 2.925 31.264 12.602 1.000 11.739 . 114 ARG AAA HB3 c 1 ATOM 1819 H HB2 . ARG AAA 1 114 HB2 . ARG 114 2.589 30.414 13.900 1.000 11.737 . 114 ARG AAA HB2 c 1 ATOM 1820 C CG . ARG AAA 1 114 CG . ARG 114 4.486 31.270 13.980 1.000 11.520 . 114 ARG AAA CG . 1 ATOM 1821 H HG3 . ARG AAA 1 114 HG3 . ARG 114 4.551 31.314 14.957 1.000 11.578 . 114 ARG AAA HG3 c 1 ATOM 1822 H HG2 . ARG AAA 1 114 HG2 . ARG 114 4.896 32.085 13.621 1.000 11.579 . 114 ARG AAA HG2 c 1 ATOM 1823 C CD . ARG AAA 1 114 CD . ARG 114 5.282 30.095 13.515 1.000 11.717 . 114 ARG AAA CD . 1 ATOM 1824 H HD3 . ARG AAA 1 114 HD3 . ARG 114 4.857 29.268 13.828 1.000 11.710 . 114 ARG AAA HD3 c 1 ATOM 1825 H HD2 . ARG AAA 1 114 HD2 . ARG 114 6.183 30.141 13.900 1.000 11.709 . 114 ARG AAA HD2 c 1 ATOM 1826 N NE . ARG AAA 1 114 NE . ARG 114 5.376 30.073 12.058 1.000 11.896 . 114 ARG AAA NE . 1 ATOM 1827 H HE . ARG AAA 1 114 HE . ARG 114 4.975 30.705 11.611 1.000 11.807 . 114 ARG AAA HE c 1 ATOM 1828 C CZ . ARG AAA 1 114 CZ . ARG 114 6.146 29.222 11.375 1.000 11.752 . 114 ARG AAA CZ . 1 ATOM 1829 N NH1 . ARG AAA 1 114 NH1 . ARG 114 6.773 28.261 12.032 1.000 10.821 . 114 ARG AAA NH1 . 1 ATOM 1830 H HH11 . ARG AAA 1 114 HH11 . ARG 114 6.737 28.223 12.908 1.000 11.172 . 114 ARG AAA HH11 c 1 ATOM 1831 H HH12 . ARG AAA 1 114 HH12 . ARG 114 7.265 27.682 11.590 1.000 11.169 . 114 ARG AAA HH12 c 1 ATOM 1832 N NH2 . ARG AAA 1 114 NH2 . ARG 114 6.197 29.278 10.045 1.000 12.412 . 114 ARG AAA NH2 . 1 ATOM 1833 H HH21 . ARG AAA 1 114 HH21 . ARG 114 5.757 29.908 9.614 1.000 12.142 . 114 ARG AAA HH21 c 1 ATOM 1834 H HH22 . ARG AAA 1 114 HH22 . ARG 114 6.680 28.691 9.599 1.000 12.142 . 114 ARG AAA HH22 c 1 ATOM 1835 C C . ARG AAA 1 114 C . ARG 114 0.725 32.294 13.889 1.000 11.857 . 114 ARG AAA C . 1 ATOM 1836 O O . ARG AAA 1 114 O . ARG 114 0.324 32.412 12.729 1.000 11.288 . 114 ARG AAA O . 1 ATOM 1838 N N . CYS AAA 1 115 N . CYS 115 -0.085 32.040 14.907 1.000 11.704 . 115 CYS AAA N . 1 ATOM 1839 H H . CYS AAA 1 115 H . CYS 115 0.180 31.937 15.770 1.000 11.503 . 115 CYS AAA H c 1 ATOM 1840 C CA . CYS AAA 1 115 CA . CYS 115 -1.558 31.865 14.718 1.000 10.707 . 115 CYS AAA CA . 1 ATOM 1841 H HA . CYS AAA 1 115 HA . CYS 115 -1.748 31.905 13.753 1.000 11.189 . 115 CYS AAA HA c 1 ATOM 1842 C CB . CYS AAA 1 115 CB . CYS 115 -1.979 30.492 15.224 1.000 10.692 . 115 CYS AAA CB . 1 ATOM 1843 H HB3 . CYS AAA 1 115 HB3 . CYS 115 -2.936 30.372 15.057 1.000 10.855 . 115 CYS AAA HB3 c 1 ATOM 1844 H HB2 . CYS AAA 1 115 HB2 . CYS 115 -1.837 30.456 16.190 1.000 10.854 . 115 CYS AAA HB2 c 1 ATOM 1845 S SG . CYS AAA 1 115 SG . CYS 115 -1.087 29.106 14.464 1.000 11.376 . 115 CYS AAA SG . 1 ATOM 1846 C C . CYS AAA 1 115 C . CYS 115 -2.388 32.940 15.411 1.000 12.354 . 115 CYS AAA C . 1 ATOM 1847 O O . CYS AAA 1 115 O . CYS 115 -3.334 33.480 14.807 1.000 11.549 . 115 CYS AAA O . 1 ATOM 1849 N N . LYS AAA 1 116 N . LYS 116 -2.021 33.291 16.623 1.000 12.938 . 116 LYS AAA N . 1 ATOM 1850 H H . LYS AAA 1 116 H . LYS 116 -1.287 32.951 17.040 1.000 12.796 . 116 LYS AAA H c 1 ATOM 1851 C CA . LYS AAA 1 116 CA . LYS 116 -2.782 34.268 17.421 1.000 12.982 . 116 LYS AAA CA . 1 ATOM 1852 H HA . LYS AAA 1 116 HA . LYS 116 -3.683 33.913 17.595 1.000 12.821 . 116 LYS AAA HA c 1 ATOM 1853 C CB . LYS AAA 1 116 CB . LYS 116 -2.042 34.462 18.744 1.000 12.733 . 116 LYS AAA CB . 1 ATOM 1854 H HB3 . LYS AAA 1 116 HB3 . LYS 116 -1.177 34.882 18.559 1.000 12.899 . 116 LYS AAA HB3 c 1 ATOM 1855 H HB2 . LYS AAA 1 116 HB2 . LYS 116 -1.870 33.581 19.138 1.000 12.899 . 116 LYS AAA HB2 c 1 ATOM 1856 C CG . LYS AAA 1 116 CG . LYS 116 -2.788 35.311 19.760 1.000 13.207 . 116 LYS AAA CG . 1 ATOM 1857 H HG3 . LYS AAA 1 116 HG3 . LYS 116 -3.672 34.923 19.931 1.000 12.993 . 116 LYS AAA HG3 c 1 ATOM 1858 H HG2 . LYS AAA 1 116 HG2 . LYS 116 -2.902 36.221 19.414 1.000 12.993 . 116 LYS AAA HG2 c 1 ATOM 1859 C CD . LYS AAA 1 116 CD . LYS 116 -1.974 35.345 21.052 1.000 12.783 . 116 LYS AAA CD . 1 ATOM 1860 H HD3 . LYS AAA 1 116 HD3 . LYS 116 -1.100 35.748 20.866 1.000 13.044 . 116 LYS AAA HD3 c 1 ATOM 1861 H HD2 . LYS AAA 1 116 HD2 . LYS 116 -1.821 34.426 21.356 1.000 13.041 . 116 LYS AAA HD2 c 1 ATOM 1862 C CE . LYS AAA 1 116 CE . LYS 116 -2.631 36.111 22.151 1.000 13.486 . 116 LYS AAA CE . 1 ATOM 1863 H HE3 . LYS AAA 1 116 HE3 . LYS 116 -3.481 35.690 22.374 1.000 13.409 . 116 LYS AAA HE3 c 1 ATOM 1864 H HE2 . LYS AAA 1 116 HE2 . LYS 116 -2.814 37.021 21.849 1.000 13.409 . 116 LYS AAA HE2 c 1 ATOM 1865 N NZ . LYS AAA 1 116 NZ . LYS 116 -1.784 36.169 23.377 1.000 13.886 . 116 LYS AAA NZ . 1 ATOM 1866 H HZ1 . LYS AAA 1 116 HZ1 . LYS 116 -1.718 35.342 23.744 1.000 13.761 . 116 LYS AAA HZ1 c 1 ATOM 1867 H HZ2 . LYS AAA 1 116 HZ2 . LYS 116 -2.157 36.733 23.981 1.000 13.761 . 116 LYS AAA HZ2 c 1 ATOM 1868 H HZ3 . LYS AAA 1 116 HZ3 . LYS 116 -0.955 36.467 23.164 1.000 13.759 . 116 LYS AAA HZ3 c 1 ATOM 1869 C C . LYS AAA 1 116 C . LYS 116 -2.889 35.599 16.656 1.000 12.435 . 116 LYS AAA C . 1 ATOM 1870 O O . LYS AAA 1 116 O . LYS 116 -1.856 36.076 16.137 1.000 11.666 . 116 LYS AAA O . 1 ATOM 1872 N N . GLY AAA 1 117 N . GLY 117 -4.086 36.187 16.567 1.000 12.602 . 117 GLY AAA N . 1 ATOM 1873 H H . GLY AAA 1 117 H . GLY 117 -4.847 35.816 16.902 1.000 12.541 . 117 GLY AAA H c 1 ATOM 1874 C CA . GLY AAA 1 117 CA . GLY 117 -4.261 37.494 15.913 1.000 12.506 . 117 GLY AAA CA . 1 ATOM 1875 H HA3 . GLY AAA 1 117 HA3 . GLY 117 -3.507 38.082 16.172 1.000 12.691 . 117 GLY AAA HA3 c 1 ATOM 1876 H HA2 . GLY AAA 1 117 HA2 . GLY 117 -5.090 37.911 16.254 1.000 12.674 . 117 GLY AAA HA2 c 1 ATOM 1877 C C . GLY AAA 1 117 C . GLY 117 -4.333 37.425 14.395 1.000 13.181 . 117 GLY AAA C . 1 ATOM 1878 O O . GLY AAA 1 117 O . GLY 117 -4.274 38.467 13.761 1.000 13.607 . 117 GLY AAA O . 1 ATOM 1880 N N . THR AAA 1 118 N . THR 118 -4.435 36.240 13.825 1.000 13.664 . 118 THR AAA N . 1 ATOM 1881 H H . THR AAA 1 118 H . THR 118 -4.475 35.452 14.280 1.000 13.500 . 118 THR AAA H c 1 ATOM 1882 C CA . THR AAA 1 118 CA . THR 118 -4.509 36.069 12.373 1.000 13.474 . 118 THR AAA CA . 1 ATOM 1883 H HA . THR AAA 1 118 HA . THR 118 -4.444 36.963 11.967 1.000 13.674 . 118 THR AAA HA c 1 ATOM 1884 C CB . THR AAA 1 118 CB . THR 118 -3.350 35.224 11.818 1.000 14.112 . 118 THR AAA CB . 1 ATOM 1885 H HB . THR AAA 1 118 HB . THR 118 -3.310 35.353 10.840 1.000 13.832 . 118 THR AAA HB c 1 ATOM 1886 O OG1 . THR AAA 1 118 OG1 . THR 118 -3.603 33.850 12.095 1.000 12.613 . 118 THR AAA OG1 . 1 ATOM 1887 H HG1 . THR AAA 1 118 HG1 . THR 118 -3.226 33.322 12.085 0.000 15.000 . 118 THR AAA HG1 c 1 ATOM 1888 C CG2 . THR AAA 1 118 CG2 . THR 118 -2.017 35.616 12.423 1.000 14.887 . 118 THR AAA CG2 . 1 ATOM 1889 H HG21 . THR AAA 1 118 HG21 . THR 118 -1.962 36.586 12.488 1.000 14.642 . 118 THR AAA HG21 c 1 ATOM 1890 H HG22 . THR AAA 1 118 HG22 . THR 118 -1.294 35.289 11.858 1.000 14.642 . 118 THR AAA HG22 c 1 ATOM 1891 H HG23 . THR AAA 1 118 HG23 . THR 118 -1.934 35.227 13.311 1.000 14.636 . 118 THR AAA HG23 c 1 ATOM 1892 C C . THR AAA 1 118 C . THR 118 -5.851 35.476 11.967 1.000 13.709 . 118 THR AAA C . 1 ATOM 1893 O O . THR AAA 1 118 O . THR 118 -6.655 35.095 12.821 1.000 12.795 . 118 THR AAA O . 1 ATOM 1895 N N . ASP AAA 1 119 N . ASP 119 -6.071 35.445 10.650 1.000 13.891 . 119 ASP AAA N . 1 ATOM 1896 H H . ASP AAA 1 119 H . ASP 119 -5.501 35.820 10.046 1.000 13.899 . 119 ASP AAA H c 1 ATOM 1897 C CA . ASP AAA 1 119 CA . ASP 119 -7.252 34.807 10.048 1.000 14.093 . 119 ASP AAA CA . 1 ATOM 1898 H HA . ASP AAA 1 119 HA . ASP 119 -8.063 35.061 10.548 1.000 14.184 . 119 ASP AAA HA c 1 ATOM 1899 C CB . ASP AAA 1 119 CB . ASP 119 -7.380 35.206 8.578 1.000 14.812 . 119 ASP AAA CB . 1 ATOM 1900 H HB3 . ASP AAA 1 119 HB3 . ASP 119 -6.557 34.973 8.102 1.000 14.854 . 119 ASP AAA HB3 c 1 ATOM 1901 H HB2 . ASP AAA 1 119 HB2 . ASP 119 -7.505 36.175 8.517 1.000 14.856 . 119 ASP AAA HB2 c 1 ATOM 1902 C CG . ASP AAA 1 119 CG . ASP 119 -8.550 34.527 7.889 1.000 15.771 . 119 ASP AAA CG . 1 ATOM 1903 O OD1 . ASP AAA 1 119 OD1 . ASP 119 -9.059 33.528 8.443 1.000 15.932 . 119 ASP AAA OD1 . 1 ATOM 1904 O OD2 . ASP AAA 1 119 OD2 . ASP 119 -8.957 34.997 6.811 1.000 16.859 . 119 ASP AAA OD2 . 1 ATOM 1905 C C . ASP AAA 1 119 C . ASP 119 -7.008 33.305 10.166 1.000 14.081 . 119 ASP AAA C . 1 ATOM 1906 O O . ASP AAA 1 119 O . ASP 119 -6.380 32.722 9.271 1.000 14.259 . 119 ASP AAA O . 1 ATOM 1908 N N . VAL AAA 1 120 N . VAL 120 -7.450 32.696 11.261 1.000 14.947 . 120 VAL AAA N . 1 ATOM 1909 H H . VAL AAA 1 120 H . VAL 120 -7.888 33.131 11.929 1.000 14.471 . 120 VAL AAA H c 1 ATOM 1910 C CA . VAL AAA 1 120 CA . VAL 120 -7.264 31.230 11.491 1.000 13.859 . 120 VAL AAA CA . 1 ATOM 1911 H HA . VAL AAA 1 120 HA . VAL 120 -6.380 30.995 11.165 1.000 13.878 . 120 VAL AAA HA c 1 ATOM 1912 C CB . VAL AAA 1 120 CB . VAL 120 -7.309 30.894 12.997 1.000 13.061 . 120 VAL AAA CB . 1 ATOM 1913 H HB . VAL AAA 1 120 HB . VAL 120 -7.263 29.912 13.100 1.000 13.522 . 120 VAL AAA HB c 1 ATOM 1914 C CG1 . VAL AAA 1 120 CG1 . VAL 120 -6.114 31.517 13.705 1.000 13.700 . 120 VAL AAA CG1 . 1 ATOM 1915 H HG11 . VAL AAA 1 120 HG11 . VAL 120 -5.291 31.161 13.328 1.000 13.499 . 120 VAL AAA HG11 c 1 ATOM 1916 H HG12 . VAL AAA 1 120 HG12 . VAL 120 -6.152 31.307 14.654 1.000 13.493 . 120 VAL AAA HG12 c 1 ATOM 1917 H HG13 . VAL AAA 1 120 HG13 . VAL 120 -6.132 32.483 13.587 1.000 13.502 . 120 VAL AAA HG13 c 1 ATOM 1918 C CG2 . VAL AAA 1 120 CG2 . VAL 120 -8.589 31.396 13.649 1.000 14.111 . 120 VAL AAA CG2 . 1 ATOM 1919 H HG21 . VAL AAA 1 120 HG21 . VAL 120 -8.436 32.276 14.033 1.000 13.780 . 120 VAL AAA HG21 c 1 ATOM 1920 H HG22 . VAL AAA 1 120 HG22 . VAL 120 -8.857 30.779 14.352 1.000 13.780 . 120 VAL AAA HG22 c 1 ATOM 1921 H HG23 . VAL AAA 1 120 HG23 . VAL 120 -9.296 31.453 12.984 1.000 13.780 . 120 VAL AAA HG23 c 1 ATOM 1922 C C . VAL AAA 1 120 C . VAL 120 -8.284 30.404 10.706 1.000 13.709 . 120 VAL AAA C . 1 ATOM 1923 O O . VAL AAA 1 120 O . VAL 120 -8.041 29.229 10.464 1.000 13.587 . 120 VAL AAA O . 1 ATOM 1925 N N . GLN AAA 1 121 N . GLN 121 -9.420 30.981 10.364 1.000 14.123 . 121 GLN AAA N . 1 ATOM 1926 H H . GLN AAA 1 121 H . GLN 121 -9.625 31.844 10.572 1.000 13.978 . 121 GLN AAA H c 1 ATOM 1927 C CA . GLN AAA 1 121 CA . GLN 121 -10.468 30.267 9.613 1.000 13.903 . 121 GLN AAA CA . 1 ATOM 1928 H HA . GLN AAA 1 121 HA . GLN 121 -10.750 29.480 10.131 1.000 13.981 . 121 GLN AAA HA c 1 ATOM 1929 C CB . GLN AAA 1 121 CB . GLN 121 -11.671 31.159 9.357 1.000 14.652 . 121 GLN AAA CB . 1 ATOM 1930 H HB3 . GLN AAA 1 121 HB3 . GLN 121 -11.419 31.850 8.711 1.000 14.370 . 121 GLN AAA HB3 c 1 ATOM 1931 H HB2 . GLN AAA 1 121 HB2 . GLN 121 -11.912 31.606 10.196 1.000 14.371 . 121 GLN AAA HB2 c 1 ATOM 1932 C CG . GLN AAA 1 121 CG . GLN 121 -12.898 30.383 8.830 1.000 14.228 . 121 GLN AAA CG . 1 ATOM 1933 H HG3 . GLN AAA 1 121 HG3 . GLN 121 -13.713 30.871 9.071 1.000 14.278 . 121 GLN AAA HG3 c 1 ATOM 1934 H HG2 . GLN AAA 1 121 HG2 . GLN 121 -12.935 29.505 9.265 1.000 14.278 . 121 GLN AAA HG2 c 1 ATOM 1935 C CD . GLN AAA 1 121 CD . GLN 121 -12.865 30.189 7.319 1.000 14.025 . 121 GLN AAA CD . 1 ATOM 1936 O OE1 . GLN AAA 1 121 OE1 . GLN 121 -12.175 30.948 6.616 1.000 14.396 . 121 GLN AAA OE1 . 1 ATOM 1937 N NE2 . GLN AAA 1 121 NE2 . GLN 121 -13.598 29.201 6.818 1.000 15.671 . 121 GLN AAA NE2 . 1 ATOM 1938 H HE21 . GLN AAA 1 121 HE21 . GLN 121 -13.095 29.144 5.816 0.000 15.000 . 121 GLN AAA HE21 c 1 ATOM 1939 H HE22 . GLN AAA 1 121 HE22 . GLN 121 -14.174 28.840 6.858 0.000 15.000 . 121 GLN AAA HE22 c 1 ATOM 1940 C C . GLN AAA 1 121 C . GLN 121 -9.877 29.802 8.276 1.000 13.362 . 121 GLN AAA C . 1 ATOM 1941 O O . GLN AAA 1 121 O . GLN 121 -10.324 28.828 7.715 1.000 13.214 . 121 GLN AAA O . 1 ATOM 1943 N N . ALA AAA 1 122 N . ALA 122 -8.894 30.535 7.766 1.000 14.091 . 122 ALA AAA N . 1 ATOM 1944 H H . ALA AAA 1 122 H . ALA 122 -8.579 31.307 8.132 1.000 13.730 . 122 ALA AAA H c 1 ATOM 1945 C CA . ALA AAA 1 122 CA . ALA 122 -8.234 30.185 6.495 1.000 13.316 . 122 ALA AAA CA . 1 ATOM 1946 H HA . ALA AAA 1 122 HA . ALA 122 -8.896 30.250 5.770 1.000 13.414 . 122 ALA AAA HA c 1 ATOM 1947 C CB . ALA AAA 1 122 CB . ALA 122 -7.114 31.147 6.219 1.000 13.036 . 122 ALA AAA CB . 1 ATOM 1948 H HB3 . ALA AAA 1 122 HB3 . ALA 122 -6.474 31.120 6.950 1.000 13.122 . 122 ALA AAA HB3 c 1 ATOM 1949 H HB2 . ALA AAA 1 122 HB2 . ALA 122 -7.472 32.047 6.137 1.000 13.123 . 122 ALA AAA HB2 c 1 ATOM 1950 H HB1 . ALA AAA 1 122 HB1 . ALA 122 -6.669 30.900 5.391 1.000 13.122 . 122 ALA AAA HB1 c 1 ATOM 1951 C C . ALA AAA 1 122 C . ALA 122 -7.700 28.747 6.539 1.000 13.239 . 122 ALA AAA C . 1 ATOM 1952 O O . ALA AAA 1 122 O . ALA 122 -7.640 28.082 5.498 1.000 13.675 . 122 ALA AAA O . 1 ATOM 1954 N N . TRP AAA 1 123 N . TRP 123 -7.339 28.250 7.730 1.000 12.818 . 123 TRP AAA N . 1 ATOM 1955 H H . TRP AAA 1 123 H . TRP 123 -7.413 28.709 8.512 1.000 13.261 . 123 TRP AAA H c 1 ATOM 1956 C CA . TRP AAA 1 123 CA . TRP 123 -6.757 26.900 7.876 1.000 14.269 . 123 TRP AAA CA . 1 ATOM 1957 H HA . TRP AAA 1 123 HA . TRP 123 -6.040 26.809 7.205 1.000 14.201 . 123 TRP AAA HA c 1 ATOM 1958 C CB . TRP AAA 1 123 CB . TRP 123 -6.116 26.765 9.268 1.000 14.512 . 123 TRP AAA CB . 1 ATOM 1959 H HB3 . TRP AAA 1 123 HB3 . TRP 123 -5.871 25.829 9.413 1.000 14.390 . 123 TRP AAA HB3 c 1 ATOM 1960 H HB2 . TRP AAA 1 123 HB2 . TRP 123 -6.773 27.019 9.947 1.000 14.397 . 123 TRP AAA HB2 c 1 ATOM 1961 C CG . TRP AAA 1 123 CG . TRP 123 -4.903 27.626 9.394 1.000 14.297 . 123 TRP AAA CG . 1 ATOM 1962 C CD1 . TRP AAA 1 123 CD1 . TRP 123 -4.873 28.926 9.783 1.000 15.262 . 123 TRP AAA CD1 . 1 ATOM 1963 H HD1 . TRP AAA 1 123 HD1 . TRP 123 -5.612 29.414 10.096 1.000 15.198 . 123 TRP AAA HD1 c 1 ATOM 1964 N NE1 . TRP AAA 1 123 NE1 . TRP 123 -3.613 29.414 9.703 1.000 15.894 . 123 TRP AAA NE1 . 1 ATOM 1965 H HE1 . TRP AAA 1 123 HE1 . TRP 123 -3.371 30.219 9.927 1.000 15.482 . 123 TRP AAA HE1 c 1 ATOM 1966 C CE2 . TRP AAA 1 123 CE2 . TRP 123 -2.784 28.442 9.203 1.000 14.776 . 123 TRP AAA CE2 . 1 ATOM 1967 C CD2 . TRP AAA 1 123 CD2 . TRP 123 -3.567 27.296 8.991 1.000 15.138 . 123 TRP AAA CD2 . 1 ATOM 1968 C CE3 . TRP AAA 1 123 CE3 . TRP 123 -2.964 26.135 8.489 1.000 14.164 . 123 TRP AAA CE3 . 1 ATOM 1969 H HE3 . TRP AAA 1 123 HE3 . TRP 123 -3.481 25.365 8.313 1.000 15.040 . 123 TRP AAA HE3 c 1 ATOM 1970 C CZ3 . TRP AAA 1 123 CZ3 . TRP 123 -1.608 26.158 8.198 1.000 16.838 . 123 TRP AAA CZ3 . 1 ATOM 1971 H HZ3 . TRP AAA 1 123 HZ3 . TRP 123 -1.192 25.381 7.865 1.000 15.949 . 123 TRP AAA HZ3 c 1 ATOM 1972 C CH2 . TRP AAA 1 123 CH2 . TRP 123 -0.831 27.307 8.453 1.000 16.337 . 123 TRP AAA CH2 . 1 ATOM 1973 H HH2 . TRP AAA 1 123 HH2 . TRP 123 0.089 27.299 8.258 1.000 16.227 . 123 TRP AAA HH2 c 1 ATOM 1974 C CZ2 . TRP AAA 1 123 CZ2 . TRP 123 -1.409 28.464 8.930 1.000 16.066 . 123 TRP AAA CZ2 . 1 ATOM 1975 H HZ2 . TRP AAA 1 123 HZ2 . TRP 123 -0.893 29.233 9.104 1.000 15.756 . 123 TRP AAA HZ2 c 1 ATOM 1976 C C . TRP AAA 1 123 C . TRP 123 -7.801 25.801 7.627 1.000 15.250 . 123 TRP AAA C . 1 ATOM 1977 O O . TRP AAA 1 123 O . TRP 123 -7.411 24.625 7.415 1.000 15.599 . 123 TRP AAA O . 1 ATOM 1979 N N . ILE AAA 1 124 N . ILE 124 -9.103 26.094 7.726 1.000 15.692 . 124 ILE AAA N . 1 ATOM 1980 H H . ILE AAA 1 124 H . ILE 124 -9.426 26.913 7.956 1.000 15.745 . 124 ILE AAA H c 1 ATOM 1981 C CA . ILE AAA 1 124 CA . ILE 124 -10.140 25.052 7.473 1.000 16.401 . 124 ILE AAA CA . 1 ATOM 1982 H HA . ILE AAA 1 124 HA . ILE 124 -9.691 24.198 7.347 1.000 16.247 . 124 ILE AAA HA c 1 ATOM 1983 C CB . ILE AAA 1 124 CB . ILE 124 -11.077 24.915 8.674 1.000 16.406 . 124 ILE AAA CB . 1 ATOM 1984 H HB . ILE AAA 1 124 HB . ILE 124 -11.756 24.235 8.441 1.000 16.699 . 124 ILE AAA HB c 1 ATOM 1985 C CG1 . ILE AAA 1 124 CG1 . ILE 124 -11.818 26.219 8.956 1.000 16.745 . 124 ILE AAA CG1 . 1 ATOM 1986 H HG12 . ILE AAA 1 124 HG12 . ILE 124 -12.206 26.557 8.121 1.000 16.724 . 124 ILE AAA HG12 c 1 ATOM 1987 H HG13 . ILE AAA 1 124 HG13 . ILE 124 -11.179 26.884 9.288 1.000 16.715 . 124 ILE AAA HG13 c 1 ATOM 1988 C CG2 . ILE AAA 1 124 CG2 . ILE 124 -10.309 24.397 9.894 1.000 17.653 . 124 ILE AAA CG2 . 1 ATOM 1989 H HG21 . ILE AAA 1 124 HG21 . ILE 124 -9.719 23.672 9.625 1.000 17.250 . 124 ILE AAA HG21 c 1 ATOM 1990 H HG22 . ILE AAA 1 124 HG22 . ILE 124 -10.938 24.070 10.561 1.000 17.235 . 124 ILE AAA HG22 c 1 ATOM 1991 C CD1 . ILE AAA 1 124 CD1 . ILE 124 -12.905 26.055 9.961 1.000 17.013 . 124 ILE AAA CD1 . 1 ATOM 1992 H HD11 . ILE AAA 1 124 HD11 . ILE 124 -13.422 25.257 9.755 1.000 16.929 . 124 ILE AAA HD11 c 1 ATOM 1993 H HD12 . ILE AAA 1 124 HD12 . ILE 124 -13.490 26.832 9.938 1.000 16.930 . 124 ILE AAA HD12 c 1 ATOM 1994 H HD13 . ILE AAA 1 124 HD13 . ILE 124 -12.518 25.969 10.849 1.000 16.931 . 124 ILE AAA HD13 c 1 ATOM 1995 H HG23 . ILE AAA 1 124 HG23 . ILE 124 -9.780 25.118 10.277 1.000 17.253 . 124 ILE AAA HG23 c 1 ATOM 1996 C C . ILE AAA 1 124 C . ILE 124 -10.898 25.378 6.190 1.000 16.318 . 124 ILE AAA C . 1 ATOM 1997 O O . ILE AAA 1 124 O . ILE 124 -11.842 24.656 5.872 1.000 15.802 . 124 ILE AAA O . 1 ATOM 1999 N N . ARG AAA 1 125 N . ARG 125 -10.521 26.446 5.516 1.000 17.553 . 125 ARG AAA N . 1 ATOM 2000 H H . ARG AAA 1 125 H . ARG 125 -9.807 26.953 5.759 1.000 17.410 . 125 ARG AAA H c 1 ATOM 2001 C CA . ARG AAA 1 125 CA . ARG 125 -11.188 26.921 4.287 1.000 18.298 . 125 ARG AAA CA . 1 ATOM 2002 H HA . ARG AAA 1 125 HA . ARG 125 -12.129 27.114 4.504 1.000 18.008 . 125 ARG AAA HA c 1 ATOM 2003 C CB . ARG AAA 1 125 CB . ARG 125 -10.530 28.199 3.787 1.000 19.234 . 125 ARG AAA CB . 1 ATOM 2004 H HB3 . ARG AAA 1 125 HB3 . ARG 125 -9.672 27.965 3.376 1.000 19.022 . 125 ARG AAA HB3 c 1 ATOM 2005 H HB2 . ARG AAA 1 125 HB2 . ARG 125 -10.345 28.773 4.558 1.000 19.023 . 125 ARG AAA HB2 c 1 ATOM 2006 C CG . ARG AAA 1 125 CG . ARG 125 -11.355 28.986 2.777 1.000 19.310 . 125 ARG AAA CG . 1 ATOM 2007 H HG3 . ARG AAA 1 125 HG3 . ARG 125 -12.281 29.063 3.092 1.000 19.687 . 125 ARG AAA HG3 c 1 ATOM 2008 H HG2 . ARG AAA 1 125 HG2 . ARG 125 -11.360 28.516 1.915 1.000 19.683 . 125 ARG AAA HG2 c 1 ATOM 2009 C CD . ARG AAA 1 125 CD . ARG 125 -10.765 30.369 2.594 1.000 21.021 . 125 ARG AAA CD . 1 ATOM 2010 H HD3 . ARG AAA 1 125 HD3 . ARG 125 -11.249 30.852 1.889 1.000 20.872 . 125 ARG AAA HD3 c 1 ATOM 2011 H HD2 . ARG AAA 1 125 HD2 . ARG 125 -9.822 30.297 2.337 1.000 20.875 . 125 ARG AAA HD2 c 1 ATOM 2012 N NE . ARG AAA 1 125 NE . ARG 125 -10.890 31.078 3.862 1.000 22.202 . 125 ARG AAA NE . 1 ATOM 2013 H HE . ARG AAA 1 125 HE . ARG 125 -11.521 30.822 4.408 1.000 21.928 . 125 ARG AAA HE c 1 ATOM 2014 C CZ . ARG AAA 1 125 CZ . ARG 125 -10.150 32.126 4.228 1.000 22.276 . 125 ARG AAA CZ . 1 ATOM 2015 N NH1 . ARG AAA 1 125 NH1 . ARG 125 -9.150 32.563 3.474 1.000 21.258 . 125 ARG AAA NH1 . 1 ATOM 2016 H HH11 . ARG AAA 1 125 HH11 . ARG 125 -9.000 32.207 2.686 1.000 21.625 . 125 ARG AAA HH11 c 1 ATOM 2017 H HH12 . ARG AAA 1 125 HH12 . ARG 125 -8.666 33.245 3.744 1.000 21.627 . 125 ARG AAA HH12 c 1 ATOM 2018 N NH2 . ARG AAA 1 125 NH2 . ARG 125 -10.339 32.672 5.415 1.000 23.333 . 125 ARG AAA NH2 . 1 ATOM 2019 H HH21 . ARG AAA 1 125 HH21 . ARG 125 -10.984 32.377 5.936 1.000 22.886 . 125 ARG AAA HH21 c 1 ATOM 2020 H HH22 . ARG AAA 1 125 HH22 . ARG 125 -9.840 33.351 5.670 1.000 22.873 . 125 ARG AAA HH22 c 1 ATOM 2021 C C . ARG AAA 1 125 C . ARG 125 -11.143 25.794 3.252 1.000 16.693 . 125 ARG AAA C . 1 ATOM 2022 O O . ARG AAA 1 125 O . ARG 125 -10.099 25.172 3.051 1.000 17.628 . 125 ARG AAA O . 1 ATOM 2024 N N . GLY AAA 1 126 N . GLY 126 -12.261 25.573 2.585 1.000 17.760 . 126 GLY AAA N . 1 ATOM 2025 H H . GLY AAA 1 126 H . GLY 126 -13.033 26.025 2.753 1.000 17.533 . 126 GLY AAA H c 1 ATOM 2026 C CA . GLY AAA 1 126 CA . GLY 126 -12.352 24.575 1.509 1.000 17.875 . 126 GLY AAA CA . 1 ATOM 2027 H HA3 . GLY AAA 1 126 HA3 . GLY 126 -11.487 24.540 1.030 1.000 17.959 . 126 GLY AAA HA3 c 1 ATOM 2028 H HA2 . GLY AAA 1 126 HA2 . GLY 126 -13.039 24.872 0.863 1.000 17.962 . 126 GLY AAA HA2 c 1 ATOM 2029 C C . GLY AAA 1 126 C . GLY 126 -12.702 23.198 1.994 1.000 18.368 . 126 GLY AAA C . 1 ATOM 2030 O O . GLY AAA 1 126 O . GLY 126 -13.068 22.351 1.158 1.000 19.746 . 126 GLY AAA O . 1 ATOM 2032 N N . CYS AAA 1 127 N . CYS 127 -12.571 22.931 3.292 1.000 19.574 . 127 CYS AAA N . 1 ATOM 2033 H H . CYS AAA 1 127 H . CYS 127 -12.342 23.551 3.915 1.000 19.294 . 127 CYS AAA H c 1 ATOM 2034 C CA . CYS AAA 1 127 CA . CYS 127 -12.798 21.594 3.884 1.000 19.659 . 127 CYS AAA CA . 1 ATOM 2035 H HA . CYS AAA 1 127 HA . CYS 127 -12.402 20.917 3.289 1.000 19.688 . 127 CYS AAA HA c 1 ATOM 2036 C CB . CYS AAA 1 127 CB . CYS 127 -12.132 21.503 5.253 1.000 19.736 . 127 CYS AAA CB . 1 ATOM 2037 H HB3 . CYS AAA 1 127 HB3 . CYS 127 -12.298 20.612 5.623 1.000 19.316 . 127 CYS AAA HB3 c 1 ATOM 2038 H HB2 . CYS AAA 1 127 HB2 . CYS 127 -12.553 22.153 5.851 1.000 19.303 . 127 CYS AAA HB2 c 1 ATOM 2039 S SG . CYS AAA 1 127 SG . CYS 127 -10.335 21.793 5.275 1.000 18.054 . 127 CYS AAA SG . 1 ATOM 2040 C C . CYS AAA 1 127 C . CYS 127 -14.311 21.325 4.011 1.000 19.853 . 127 CYS AAA C . 1 ATOM 2041 O O . CYS AAA 1 127 O . CYS 127 -15.073 22.255 4.327 1.000 20.950 . 127 CYS AAA O . 1 ATOM 2043 N N . ARG AAA 1 128 N . ARG 128 -14.716 20.083 3.831 1.000 20.035 . 128 ARG AAA N . 1 ATOM 2044 H H . ARG AAA 1 128 H . ARG 128 -14.145 19.417 3.583 1.000 20.159 . 128 ARG AAA H c 1 ATOM 2045 C CA . ARG AAA 1 128 CA . ARG 128 -16.115 19.625 4.008 1.000 20.765 . 128 ARG AAA CA . 1 ATOM 2046 H HA . ARG AAA 1 128 HA . ARG 128 -16.726 20.389 3.889 1.000 20.485 . 128 ARG AAA HA c 1 ATOM 2047 C CB . ARG AAA 1 128 CB . ARG 128 -16.504 18.501 3.041 1.000 20.257 . 128 ARG AAA CB . 1 ATOM 2048 H HB3 . ARG AAA 1 128 HB3 . ARG 128 -17.308 18.060 3.388 1.000 20.046 . 128 ARG AAA HB3 c 1 ATOM 2049 H HB2 . ARG AAA 1 128 HB2 . ARG 128 -15.782 17.838 3.035 1.000 20.043 . 128 ARG AAA HB2 c 1 ATOM 2050 C CG . ARG AAA 1 128 CG . ARG 128 -16.773 18.930 1.617 1.000 18.878 . 128 ARG AAA CG . 1 ATOM 2051 H HG3 . ARG AAA 1 128 HG3 . ARG 128 -16.007 19.436 1.272 1.000 19.256 . 128 ARG AAA HG3 c 1 ATOM 2052 H HG2 . ARG AAA 1 128 HG2 . ARG 128 -17.569 19.502 1.583 1.000 19.255 . 128 ARG AAA HG2 c 1 ATOM 2053 C CD . ARG AAA 1 128 CD . ARG 128 -16.993 17.687 0.767 1.000 19.142 . 128 ARG AAA CD . 1 ATOM 2054 H HD3 . ARG AAA 1 128 HD3 . ARG 128 -16.414 16.965 1.089 1.000 19.142 . 128 ARG AAA HD3 c 1 ATOM 2055 H HD2 . ARG AAA 1 128 HD2 . ARG 128 -16.743 17.879 -0.160 1.000 19.136 . 128 ARG AAA HD2 c 1 ATOM 2056 N NE . ARG AAA 1 128 NE . ARG 128 -18.408 17.240 0.817 1.000 19.390 . 128 ARG AAA NE . 1 ATOM 2057 H HE . ARG AAA 1 128 HE . ARG 128 -18.590 16.539 1.303 1.000 18.961 . 128 ARG AAA HE c 1 ATOM 2058 C CZ . ARG AAA 1 128 CZ . ARG 128 -19.420 17.795 0.147 1.000 17.975 . 128 ARG AAA CZ . 1 ATOM 2059 N NH1 . ARG AAA 1 128 NH1 . ARG 128 -19.200 18.858 -0.624 1.000 18.731 . 128 ARG AAA NH1 . 1 ATOM 2060 H HH11 . ARG AAA 1 128 HH11 . ARG 128 -18.393 19.194 -0.699 1.000 18.522 . 128 ARG AAA HH11 c 1 ATOM 2061 H HH12 . ARG AAA 1 128 HH12 . ARG 128 -19.869 19.224 -1.062 1.000 18.520 . 128 ARG AAA HH12 c 1 ATOM 2062 N NH2 . ARG AAA 1 128 NH2 . ARG 128 -20.654 17.282 0.249 1.000 18.550 . 128 ARG AAA NH2 . 1 ATOM 2063 H HH21 . ARG AAA 1 128 HH21 . ARG 128 -20.797 16.584 0.756 1.000 18.410 . 128 ARG AAA HH21 c 1 ATOM 2064 H HH22 . ARG AAA 1 128 HH22 . ARG 128 -21.322 17.656 -0.187 1.000 18.410 . 128 ARG AAA HH22 c 1 ATOM 2065 C C . ARG AAA 1 128 C . ARG 128 -16.190 19.138 5.442 1.000 20.530 . 128 ARG AAA C . 1 ATOM 2066 O O . ARG AAA 1 128 O . ARG 128 -15.900 17.955 5.680 1.000 23.067 . 128 ARG AAA O . 1 ATOM 2068 N N . LEU AAA 1 129 N . LEU 129 -16.466 20.035 6.366 1.000 21.588 . 129 LEU AAA N . 1 ATOM 2069 H H . LEU AAA 1 129 H . LEU 129 -16.660 20.907 6.185 1.000 21.618 . 129 LEU AAA H c 1 ATOM 2070 C CA . LEU AAA 1 129 CA . LEU 129 -16.479 19.673 7.795 1.000 22.860 . 129 LEU AAA CA . 1 ATOM 2071 H HA . LEU AAA 1 129 HA . LEU 129 -16.168 18.744 7.889 1.000 22.822 . 129 LEU AAA HA c 1 ATOM 2072 C CB . LEU AAA 1 129 CB . LEU 129 -15.539 20.602 8.550 1.000 23.574 . 129 LEU AAA CB . 1 ATOM 2073 H HB3 . LEU AAA 1 129 HB3 . LEU 129 -15.610 20.404 9.505 1.000 23.269 . 129 LEU AAA HB3 c 1 ATOM 2074 H HB2 . LEU AAA 1 129 HB2 . LEU 129 -15.842 21.523 8.416 1.000 23.269 . 129 LEU AAA HB2 c 1 ATOM 2075 C CG . LEU AAA 1 129 CG . LEU 129 -14.078 20.511 8.144 1.000 23.000 . 129 LEU AAA CG . 1 ATOM 2076 H HG . LEU AAA 1 129 HG . LEU 129 -14.016 20.632 7.166 1.000 23.339 . 129 LEU AAA HG c 1 ATOM 2077 C CD1 . LEU AAA 1 129 CD1 . LEU 129 -13.325 21.619 8.807 1.000 23.370 . 129 LEU AAA CD1 . 1 ATOM 2078 H HD11 . LEU AAA 1 129 HD11 . LEU 129 -13.636 22.475 8.462 1.000 23.231 . 129 LEU AAA HD11 c 1 ATOM 2079 H HD12 . LEU AAA 1 129 HD12 . LEU 129 -12.374 21.523 8.625 1.000 23.232 . 129 LEU AAA HD12 c 1 ATOM 2080 H HD13 . LEU AAA 1 129 HD13 . LEU 129 -13.477 21.584 9.767 1.000 23.151 . 129 LEU AAA HD13 c 1 ATOM 2081 C CD2 . LEU AAA 1 129 CD2 . LEU 129 -13.458 19.164 8.505 1.000 23.956 . 129 LEU AAA CD2 . 1 ATOM 2082 H HD21 . LEU AAA 1 129 HD21 . LEU 129 -13.659 18.953 9.434 1.000 23.614 . 129 LEU AAA HD21 c 1 ATOM 2083 H HD22 . LEU AAA 1 129 HD22 . LEU 129 -12.494 19.206 8.384 1.000 23.645 . 129 LEU AAA HD22 c 1 ATOM 2084 H HD23 . LEU AAA 1 129 HD23 . LEU 129 -13.827 18.472 7.929 1.000 23.645 . 129 LEU AAA HD23 c 1 ATOM 2085 C C . LEU AAA 1 129 C . LEU 129 -17.894 19.771 8.344 1.000 23.277 . 129 LEU AAA C . 1 ATOM 2086 O O . LEU AAA 1 129 O . LEU 129 -18.257 18.774 9.016 1.000 22.547 . 129 LEU AAA O . 1 ATOM 2087 O OXT . LEU AAA 1 129 OXT . LEU 129 -18.592 20.801 8.128 1.000 24.035 . 129 LEU AAA OXT . 1 HETATM 2088 N N1 . DO3 AaA 2 . N1 . DO3 284 2.453 24.964 34.465 0.810 18.819 . 284 DO3 AaA N1 . 1 HETATM 2089 N N2 . DO3 AaA 2 . N2 . DO3 284 3.684 25.200 37.027 0.810 17.938 . 284 DO3 AaA N2 . 1 HETATM 2090 N N3 . DO3 AaA 2 . N3 . DO3 284 2.654 22.552 37.883 0.810 17.894 . 284 DO3 AaA N3 . 1 HETATM 2091 N N4 . DO3 AaA 2 . N4 . DO3 284 1.284 22.342 35.311 0.810 19.642 . 284 DO3 AaA N4 . 1 HETATM 2092 O O1 . DO3 AaA 2 . O1 . DO3 284 0.633 26.583 35.970 0.810 22.544 . 284 DO3 AaA O1 . 1 HETATM 2093 O O3 . DO3 AaA 2 . O3 . DO3 284 1.537 25.853 38.628 0.810 14.992 . 284 DO3 AaA O3 . 1 HETATM 2094 O O5 . DO3 AaA 2 . O5 . DO3 284 -0.047 22.934 38.537 0.810 18.935 . 284 DO3 AaA O5 . 1 HETATM 2095 O O7 . DO3 AaA 2 . O7 . DO3 284 -0.800 24.066 35.673 0.810 17.655 . 284 DO3 AaA O7 . 1 HETATM 2096 C C1 . DO3 AaA 2 . C1 . DO3 284 3.743 25.644 34.571 0.810 19.000 . 284 DO3 AaA C1 . 1 HETATM 2097 C C2 . DO3 AaA 2 . C2 . DO3 284 4.499 25.287 35.789 0.810 18.596 . 284 DO3 AaA C2 . 1 HETATM 2098 C C3 . DO3 AaA 2 . C3 . DO3 284 4.419 24.319 37.930 0.810 18.775 . 284 DO3 AaA C3 . 1 HETATM 2099 C C4 . DO3 AaA 2 . C4 . DO3 284 4.081 22.871 37.860 0.810 18.635 . 284 DO3 AaA C4 . 1 HETATM 2100 C C5 . DO3 AaA 2 . C5 . DO3 284 2.454 21.273 37.183 0.810 19.194 . 284 DO3 AaA C5 . 1 HETATM 2101 C C6 . DO3 AaA 2 . C6 . DO3 284 2.170 21.299 35.723 0.810 20.024 . 284 DO3 AaA C6 . 1 HETATM 2102 C C7 . DO3 AaA 2 . C7 . DO3 284 1.618 22.654 33.931 0.810 19.685 . 284 DO3 AaA C7 . 1 HETATM 2103 C C8 . DO3 AaA 2 . C8 . DO3 284 2.642 23.720 33.729 0.810 19.993 . 284 DO3 AaA C8 . 1 HETATM 2104 C C9 . DO3 AaA 2 . C9 . DO3 284 0.868 26.896 34.790 0.810 19.845 . 284 DO3 AaA C9 . 1 HETATM 2105 C C10 . DO3 AaA 2 . C10 . DO3 284 1.412 25.816 33.882 0.810 21.573 . 284 DO3 AaA C10 . 1 HETATM 2106 C C11 . DO3 AaA 2 . C11 . DO3 284 2.486 26.662 38.685 0.810 16.403 . 284 DO3 AaA C11 . 1 HETATM 2107 C C12 . DO3 AaA 2 . C12 . DO3 284 3.539 26.558 37.615 0.810 18.030 . 284 DO3 AaA C12 . 1 HETATM 2108 C C13 . DO3 AaA 2 . C13 . DO3 284 0.649 22.487 39.430 0.810 19.171 . 284 DO3 AaA C13 . 1 HETATM 2109 C C14 . DO3 AaA 2 . C14 . DO3 284 2.145 22.461 39.233 0.810 18.645 . 284 DO3 AaA C14 . 1 HETATM 2110 C C15 . DO3 AaA 2 . C15 . DO3 284 -1.172 22.825 35.156 0.810 18.773 . 284 DO3 AaA C15 . 1 HETATM 2111 C C16 . DO3 AaA 2 . C16 . DO3 284 -0.086 21.839 35.454 0.810 20.802 . 284 DO3 AaA C16 . 1 HETATM 2112 C C17 . DO3 AaA 2 . C17 . DO3 284 -2.486 22.428 35.759 0.810 21.129 . 284 DO3 AaA C17 . 1 HETATM 2113 O O2 . DO3 AaA 2 . O2 . DO3 284 0.670 28.007 34.277 0.810 22.350 . 284 DO3 AaA O2 . 1 HETATM 2114 O O4 . DO3 AaA 2 . O4 . DO3 284 2.631 27.540 39.530 0.810 15.066 . 284 DO3 AaA O4 . 1 HETATM 2115 O O6 . DO3 AaA 2 . O6 . DO3 284 0.235 22.047 40.508 0.810 20.343 . 284 DO3 AaA O6 . 1 HETATM 2116 H HO7 . DO3 AaA 2 . HO7 . DO3 284 -0.248 24.156 35.537 0.000 15.000 . 284 DO3 AaA HO7 c 1 HETATM 2117 H HC11 . DO3 AaA 2 . HC11 . DO3 284 4.288 25.426 33.786 0.810 18.868 . 284 DO3 AaA HC11 c 1 HETATM 2118 H HC12 . DO3 AaA 2 . HC12 . DO3 284 3.596 26.613 34.568 0.810 18.873 . 284 DO3 AaA HC12 c 1 HETATM 2119 H HC21 . DO3 AaA 2 . HC21 . DO3 284 4.936 24.424 35.636 0.810 18.537 . 284 DO3 AaA HC21 c 1 HETATM 2120 H HC22 . DO3 AaA 2 . HC22 . DO3 284 5.204 25.953 35.924 0.810 18.530 . 284 DO3 AaA HC22 c 1 HETATM 2121 H HC31 . DO3 AaA 2 . HC31 . DO3 284 4.264 24.619 38.850 0.810 18.535 . 284 DO3 AaA HC31 c 1 HETATM 2122 H HC32 . DO3 AaA 2 . HC32 . DO3 284 5.378 24.419 37.755 0.810 18.541 . 284 DO3 AaA HC32 c 1 HETATM 2123 H HC41 . DO3 AaA 2 . HC41 . DO3 284 4.465 22.513 37.035 0.810 18.500 . 284 DO3 AaA HC41 c 1 HETATM 2124 H HC42 . DO3 AaA 2 . HC42 . DO3 284 4.519 22.414 38.609 0.810 18.493 . 284 DO3 AaA HC42 c 1 HETATM 2125 H HC51 . DO3 AaA 2 . HC51 . DO3 284 1.712 20.802 37.617 0.810 19.066 . 284 DO3 AaA HC51 c 1 HETATM 2126 H HC52 . DO3 AaA 2 . HC52 . DO3 284 3.253 20.721 37.321 0.810 19.066 . 284 DO3 AaA HC52 c 1 HETATM 2127 H HC61 . DO3 AaA 2 . HC61 . DO3 284 3.020 21.403 35.251 0.810 19.724 . 284 DO3 AaA HC61 c 1 HETATM 2128 H HC62 . DO3 AaA 2 . HC62 . DO3 284 1.794 20.436 35.461 0.810 19.707 . 284 DO3 AaA HC62 c 1 HETATM 2129 H HC71 . DO3 AaA 2 . HC71 . DO3 284 0.802 22.929 33.466 0.810 19.748 . 284 DO3 AaA HC71 c 1 HETATM 2130 H HC72 . DO3 AaA 2 . HC72 . DO3 284 1.936 21.837 33.492 0.810 19.748 . 284 DO3 AaA HC72 c 1 HETATM 2131 H HC81 . DO3 AaA 2 . HC81 . DO3 284 3.515 23.347 33.971 0.810 19.633 . 284 DO3 AaA HC81 c 1 HETATM 2132 H HC82 . DO3 AaA 2 . HC82 . DO3 284 2.675 23.931 32.773 0.810 19.641 . 284 DO3 AaA HC82 c 1 HETATM 2133 H H101 . DO3 AaA 2 . H101 . DO3 284 0.672 25.254 33.603 0.810 20.479 . 284 DO3 AaA H101 c 1 HETATM 2134 H H102 . DO3 AaA 2 . H102 . DO3 284 1.771 26.239 33.084 0.810 20.480 . 284 DO3 AaA H102 c 1 HETATM 2135 H H121 . DO3 AaA 2 . H121 . DO3 284 3.321 27.184 36.906 0.810 17.616 . 284 DO3 AaA H121 c 1 HETATM 2136 H H122 . DO3 AaA 2 . H122 . DO3 284 4.393 26.828 37.991 0.810 17.613 . 284 DO3 AaA H122 c 1 HETATM 2137 H H141 . DO3 AaA 2 . H141 . DO3 284 2.523 23.195 39.744 0.810 18.589 . 284 DO3 AaA H141 c 1 HETATM 2138 H H142 . DO3 AaA 2 . H142 . DO3 284 2.484 21.641 39.627 0.810 18.593 . 284 DO3 AaA H142 c 1 HETATM 2139 H HA . DO3 AaA 2 . HA . DO3 284 -1.279 22.902 34.168 0.810 19.336 . 284 DO3 AaA HA c 1 HETATM 2140 H H161 . DO3 AaA 2 . H161 . DO3 284 -0.208 21.514 36.375 0.810 20.031 . 284 DO3 AaA H161 c 1 HETATM 2141 H H162 . DO3 AaA 2 . H162 . DO3 284 -0.202 21.068 34.852 0.810 20.024 . 284 DO3 AaA H162 c 1 HETATM 2142 H H171 . DO3 AaA 2 . H171 . DO3 284 -2.441 21.504 36.062 0.810 20.379 . 284 DO3 AaA H171 c 1 HETATM 2143 H H172 . DO3 AaA 2 . H172 . DO3 284 -3.190 22.516 35.092 0.810 20.368 . 284 DO3 AaA H172 c 1 HETATM 2144 H H173 . DO3 AaA 2 . H173 . DO3 284 -2.685 23.007 36.517 0.810 20.367 . 284 DO3 AaA H173 c 1 HETATM 2145 N N1 . DO3 AbA 2 . N1 . DO3 285 -1.361 30.329 40.251 0.730 18.058 . 285 DO3 AbA N1 . 1 HETATM 2146 N N2 . DO3 AbA 2 . N2 . DO3 285 -3.736 28.825 40.462 0.730 17.975 . 285 DO3 AbA N2 . 1 HETATM 2147 N N3 . DO3 AbA 2 . N3 . DO3 285 -3.061 28.283 43.273 0.730 20.123 . 285 DO3 AbA N3 . 1 HETATM 2148 N N4 . DO3 AbA 2 . N4 . DO3 285 -0.505 29.703 42.980 0.730 18.294 . 285 DO3 AbA N4 . 1 HETATM 2149 O O1 . DO3 AbA 2 . O1 . DO3 285 -0.983 27.960 38.907 0.730 15.088 . 285 DO3 AbA O1 . 1 HETATM 2150 O O3 . DO3 AbA 2 . O3 . DO3 285 -2.795 26.307 40.490 0.730 17.010 . 285 DO3 AbA O3 . 1 HETATM 2151 O O5 . DO3 AbA 2 . O5 . DO3 285 -1.016 26.384 43.161 0.730 19.285 . 285 DO3 AbA O5 . 1 HETATM 2152 O O7 . DO3 AbA 2 . O7 . DO3 285 0.988 27.940 41.509 0.730 17.801 . 285 DO3 AbA O7 . 1 HETATM 2153 C C1 . DO3 AbA 2 . C1 . DO3 285 -2.536 30.776 39.511 0.730 19.281 . 285 DO3 AbA C1 . 1 HETATM 2154 C C2 . DO3 AbA 2 . C2 . DO3 285 -3.786 30.234 40.036 0.730 20.643 . 285 DO3 AbA C2 . 1 HETATM 2155 C C3 . DO3 AbA 2 . C3 . DO3 285 -4.753 28.702 41.512 0.730 18.865 . 285 DO3 AbA C3 . 1 HETATM 2156 C C4 . DO3 AbA 2 . C4 . DO3 285 -4.311 28.935 42.921 0.730 20.299 . 285 DO3 AbA C4 . 1 HETATM 2157 C C5 . DO3 AbA 2 . C5 . DO3 285 -2.451 28.991 44.399 0.730 21.396 . 285 DO3 AbA C5 . 1 HETATM 2158 C C6 . DO3 AbA 2 . C6 . DO3 285 -1.415 30.014 44.071 0.730 19.600 . 285 DO3 AbA C6 . 1 HETATM 2159 C C7 . DO3 AbA 2 . C7 . DO3 285 -0.140 30.971 42.350 0.730 19.061 . 285 DO3 AbA C7 . 1 HETATM 2160 C C8 . DO3 AbA 2 . C8 . DO3 285 -1.025 31.386 41.207 0.730 19.971 . 285 DO3 AbA C8 . 1 HETATM 2161 C C9 . DO3 AbA 2 . C9 . DO3 285 -0.347 28.896 38.451 0.730 16.276 . 285 DO3 AbA C9 . 1 HETATM 2162 C C10 . DO3 AbA 2 . C10 . DO3 285 -0.255 30.119 39.335 0.730 17.498 . 285 DO3 AbA C10 . 1 HETATM 2163 C C11 . DO3 AbA 2 . C11 . DO3 285 -3.762 26.480 39.769 0.730 18.399 . 285 DO3 AbA C11 . 1 HETATM 2164 C C12 . DO3 AbA 2 . C12 . DO3 285 -4.040 27.911 39.383 0.730 19.703 . 285 DO3 AbA C12 . 1 HETATM 2165 C C13 . DO3 AbA 2 . C13 . DO3 285 -2.051 25.963 43.643 0.730 18.934 . 285 DO3 AbA C13 . 1 HETATM 2166 C C14 . DO3 AbA 2 . C14 . DO3 285 -3.282 26.871 43.642 0.730 21.365 . 285 DO3 AbA C14 . 1 HETATM 2167 C C15 . DO3 AbA 2 . C15 . DO3 285 1.683 28.519 42.594 0.730 19.217 . 285 DO3 AbA C15 . 1 HETATM 2168 C C16 . DO3 AbA 2 . C16 . DO3 285 0.680 29.070 43.575 0.730 19.224 . 285 DO3 AbA C16 . 1 HETATM 2169 C C17 . DO3 AbA 2 . C17 . DO3 285 2.600 27.530 43.280 0.730 18.157 . 285 DO3 AbA C17 . 1 HETATM 2170 O O2 . DO3 AbA 2 . O2 . DO3 285 0.186 28.956 37.329 0.730 15.749 . 285 DO3 AbA O2 . 1 HETATM 2171 O O4 . DO3 AbA 2 . O4 . DO3 285 -4.484 25.584 39.314 0.730 19.418 . 285 DO3 AbA O4 . 1 HETATM 2172 O O6 . DO3 AbA 2 . O6 . DO3 285 -2.209 24.839 44.130 0.730 18.756 . 285 DO3 AbA O6 . 1 HETATM 2173 H HO7 . DO3 AbA 2 . HO7 . DO3 285 0.761 28.861 41.334 0.000 15.000 . 285 DO3 AbA HO7 c 1 HETATM 2174 H HC11 . DO3 AbA 2 . HC11 . DO3 285 -2.581 31.755 39.533 0.730 19.292 . 285 DO3 AbA HC11 c 1 HETATM 2175 H HC12 . DO3 AbA 2 . HC12 . DO3 285 -2.449 30.506 38.573 0.730 19.278 . 285 DO3 AbA HC12 c 1 HETATM 2176 H HC21 . DO3 AbA 2 . HC21 . DO3 285 -4.057 30.786 40.800 0.730 19.659 . 285 DO3 AbA HC21 c 1 HETATM 2177 H HC22 . DO3 AbA 2 . HC22 . DO3 285 -4.477 30.329 39.348 0.730 19.661 . 285 DO3 AbA HC22 c 1 HETATM 2178 H HC31 . DO3 AbA 2 . HC31 . DO3 285 -5.138 27.802 41.467 0.730 18.981 . 285 DO3 AbA HC31 c 1 HETATM 2179 H HC32 . DO3 AbA 2 . HC32 . DO3 285 -5.480 29.330 41.315 0.730 18.983 . 285 DO3 AbA HC32 c 1 HETATM 2180 H HC41 . DO3 AbA 2 . HC41 . DO3 285 -4.216 29.901 43.058 0.730 19.917 . 285 DO3 AbA HC41 c 1 HETATM 2181 H HC42 . DO3 AbA 2 . HC42 . DO3 285 -5.015 28.619 43.526 0.730 19.915 . 285 DO3 AbA HC42 c 1 HETATM 2182 H HC51 . DO3 AbA 2 . HC51 . DO3 285 -2.040 28.330 44.990 0.730 20.656 . 285 DO3 AbA HC51 c 1 HETATM 2183 H HC52 . DO3 AbA 2 . HC52 . DO3 285 -3.161 29.431 44.913 0.730 20.655 . 285 DO3 AbA HC52 c 1 HETATM 2184 H HC61 . DO3 AbA 2 . HC61 . DO3 285 -1.881 30.849 43.857 0.730 19.683 . 285 DO3 AbA HC61 c 1 HETATM 2185 H HC62 . DO3 AbA 2 . HC62 . DO3 285 -0.887 30.181 44.879 0.730 19.681 . 285 DO3 AbA HC62 c 1 HETATM 2186 H HC71 . DO3 AbA 2 . HC71 . DO3 285 0.779 30.907 42.017 0.730 19.082 . 285 DO3 AbA HC71 c 1 HETATM 2187 H HC72 . DO3 AbA 2 . HC72 . DO3 285 -0.154 31.679 43.027 0.730 19.088 . 285 DO3 AbA HC72 c 1 HETATM 2188 H HC81 . DO3 AbA 2 . HC81 . DO3 285 -1.856 31.746 41.582 0.730 19.291 . 285 DO3 AbA HC81 c 1 HETATM 2189 H HC82 . DO3 AbA 2 . HC82 . DO3 285 -0.583 32.117 40.725 0.730 19.282 . 285 DO3 AbA HC82 c 1 HETATM 2190 H H101 . DO3 AbA 2 . H101 . DO3 285 0.564 30.056 39.851 0.730 17.344 . 285 DO3 AbA H101 c 1 HETATM 2191 H H102 . DO3 AbA 2 . H102 . DO3 285 -0.175 30.902 38.765 0.730 17.342 . 285 DO3 AbA H102 c 1 HETATM 2192 H H121 . DO3 AbA 2 . H121 . DO3 285 -3.505 28.140 38.610 0.730 18.983 . 285 DO3 AbA H121 c 1 HETATM 2193 H H122 . DO3 AbA 2 . H122 . DO3 285 -4.976 28.001 39.138 0.730 18.977 . 285 DO3 AbA H122 c 1 HETATM 2194 H H141 . DO3 AbA 2 . H141 . DO3 285 -3.931 26.494 43.027 0.730 20.470 . 285 DO3 AbA H141 c 1 HETATM 2195 H H142 . DO3 AbA 2 . H142 . DO3 285 -3.680 26.844 44.527 0.730 20.477 . 285 DO3 AbA H142 c 1 HETATM 2196 H HA . DO3 AbA 2 . HA . DO3 285 2.237 29.272 42.249 0.730 18.737 . 285 DO3 AbA HA c 1 HETATM 2197 H H161 . DO3 AbA 2 . H161 . DO3 285 0.384 28.335 44.160 0.730 19.001 . 285 DO3 AbA H161 c 1 HETATM 2198 H H162 . DO3 AbA 2 . H162 . DO3 285 1.139 29.732 44.142 0.730 19.003 . 285 DO3 AbA H162 c 1 HETATM 2199 H H171 . DO3 AbA 2 . H171 . DO3 285 2.956 27.927 44.095 0.730 18.478 . 285 DO3 AbA H171 c 1 HETATM 2200 H H172 . DO3 AbA 2 . H172 . DO3 285 3.335 27.300 42.684 0.730 18.477 . 285 DO3 AbA H172 c 1 HETATM 2201 H H173 . DO3 AbA 2 . H173 . DO3 285 2.100 26.724 43.504 0.730 18.477 . 285 DO3 AbA H173 c 1 HETATM 2202 CL CL . CL AcA 3 . CL . CL 286 -8.324 31.174 26.966 1.000 14.430 . 286 CL AcA CL . 1 HETATM 2203 CL CL . CL AdA 3 . CL . CL 287 -11.697 28.728 12.531 1.000 15.025 . 287 CL AdA CL . 1 HETATM 2204 CL CL . CL AeA 3 . CL . CL 288 10.963 10.621 33.256 1.000 23.279 . 288 CL AeA CL . 1 HETATM 2205 CL CL . CL AfA 3 . CL . CL 289 -7.532 9.901 14.309 1.000 29.826 . 289 CL AfA CL . 1 HETATM 2206 GD GD . GD AgA 4 . GD . GD 290 0.950 24.565 36.808 0.810 15.779 . 290 GD AgA GD . 1 HETATM 2207 GD GD . GD AhA 4 . GD . GD 291 -1.378 27.839 41.357 0.730 16.173 . 291 GD AhA GD . 1 HETATM 2208 O O . HOH ZZZ 5 . O . HOH 1 1.616 9.573 6.210 1.000 18.058 . 1 HOH ZZZ O . 1 HETATM 2209 O O . HOH ZZZ 5 . O . HOH 2 -8.473 19.090 0.905 1.000 29.693 . 2 HOH ZZZ O . 1 HETATM 2210 O O . HOH ZZZ 5 . O . HOH 3 0.180 17.489 4.956 1.000 20.442 . 3 HOH ZZZ O . 1 HETATM 2211 O O . HOH ZZZ 5 . O . HOH 4 -2.132 19.856 3.801 1.000 34.427 . 4 HOH ZZZ O . 1 HETATM 2212 O O . HOH ZZZ 5 . O . HOH 5 -6.423 19.330 2.642 1.000 15.849 . 5 HOH ZZZ O . 1 HETATM 2213 O O . HOH ZZZ 5 . O . HOH 6 -6.652 16.493 3.705 1.000 13.418 . 6 HOH ZZZ O . 1 HETATM 2214 O O . HOH ZZZ 5 . O . HOH 7 -9.535 12.185 9.636 1.000 19.179 . 7 HOH ZZZ O . 1 HETATM 2215 O O . HOH ZZZ 5 . O . HOH 8 -7.945 9.893 8.631 1.000 27.253 . 8 HOH ZZZ O . 1 HETATM 2216 O O . HOH ZZZ 5 . O . HOH 9 -2.740 11.324 5.361 1.000 25.257 . 9 HOH ZZZ O . 1 HETATM 2217 O O . HOH ZZZ 5 . O . HOH 10 -14.520 22.287 28.779 1.000 24.773 . 10 HOH ZZZ O . 1 HETATM 2218 O O . HOH ZZZ 5 . O . HOH 11 -14.901 27.759 12.846 1.000 23.340 . 11 HOH ZZZ O . 1 HETATM 2219 O O . HOH ZZZ 5 . O . HOH 12 -16.039 22.784 11.468 1.000 27.380 . 12 HOH ZZZ O . 1 HETATM 2220 O O . HOH ZZZ 5 . O . HOH 13 7.799 26.041 18.702 1.000 21.708 . 13 HOH ZZZ O . 1 HETATM 2221 O O . HOH ZZZ 5 . O . HOH 14 -14.979 8.884 16.996 1.000 24.804 . 14 HOH ZZZ O . 1 HETATM 2222 O O . HOH ZZZ 5 . O . HOH 15 -17.768 12.666 16.857 1.000 26.940 . 15 HOH ZZZ O . 1 HETATM 2223 O O . HOH ZZZ 5 . O . HOH 16 -11.975 11.855 11.214 1.000 20.486 . 16 HOH ZZZ O . 1 HETATM 2224 O O . HOH ZZZ 5 . O . HOH 17 -16.344 14.341 20.704 1.000 25.736 . 17 HOH ZZZ O . 1 HETATM 2225 O O . HOH ZZZ 5 . O . HOH 18 -9.905 8.031 16.078 1.000 32.386 . 18 HOH ZZZ O . 1 HETATM 2226 O O . HOH ZZZ 5 . O . HOH 19 -15.940 19.497 22.563 1.000 25.174 . 19 HOH ZZZ O . 1 HETATM 2227 O O . HOH ZZZ 5 . O . HOH 20 -16.284 23.636 14.299 1.000 22.045 . 20 HOH ZZZ O . 1 HETATM 2228 O O . HOH ZZZ 5 . O . HOH 21 -19.034 21.133 16.478 1.000 31.330 . 21 HOH ZZZ O . 1 HETATM 2229 O O . HOH ZZZ 5 . O . HOH 22 -14.614 25.733 15.227 1.000 14.352 . 22 HOH ZZZ O . 1 HETATM 2230 O O . HOH ZZZ 5 . O . HOH 23 -13.183 18.127 28.608 1.000 32.222 . 23 HOH ZZZ O . 1 HETATM 2231 O O . HOH ZZZ 5 . O . HOH 24 -9.546 19.207 30.343 1.000 28.971 . 24 HOH ZZZ O . 1 HETATM 2232 O O . HOH ZZZ 5 . O . HOH 25 -14.640 23.493 26.206 1.000 20.111 . 25 HOH ZZZ O . 1 HETATM 2233 O O . HOH ZZZ 5 . O . HOH 26 -10.640 29.224 28.237 1.000 30.489 . 26 HOH ZZZ O . 1 HETATM 2234 O O . HOH ZZZ 5 . O . HOH 27 -10.708 31.042 24.676 1.000 12.405 . 27 HOH ZZZ O . 1 HETATM 2235 O O . HOH ZZZ 5 . O . HOH 28 -13.592 27.941 28.849 1.000 31.316 . 28 HOH ZZZ O . 1 HETATM 2236 O O . HOH ZZZ 5 . O . HOH 29 -15.568 26.649 26.124 1.000 29.988 . 29 HOH ZZZ O . 1 HETATM 2237 O O . HOH ZZZ 5 . O . HOH 30 -14.555 31.723 21.390 1.000 18.651 . 30 HOH ZZZ O . 1 HETATM 2238 O O . HOH ZZZ 5 . O . HOH 31 -14.860 28.438 20.158 1.000 30.576 . 31 HOH ZZZ O . 1 HETATM 2239 O O . HOH ZZZ 5 . O . HOH 32 -14.416 30.954 18.547 1.000 22.056 . 32 HOH ZZZ O . 1 HETATM 2240 O O . HOH ZZZ 5 . O . HOH 33 11.009 5.236 33.911 1.000 32.440 . 33 HOH ZZZ O . 1 HETATM 2241 O O . HOH ZZZ 5 . O . HOH 34 -11.741 30.889 18.450 1.000 11.711 . 34 HOH ZZZ O . 1 HETATM 2242 O O . HOH ZZZ 5 . O . HOH 35 -11.847 32.501 15.802 1.000 25.206 . 35 HOH ZZZ O . 1 HETATM 2243 O O . HOH ZZZ 5 . O . HOH 36 7.320 22.956 39.772 1.000 28.189 . 36 HOH ZZZ O . 1 HETATM 2244 O O . HOH ZZZ 5 . O . HOH 37 -6.227 33.163 17.300 1.000 13.627 . 37 HOH ZZZ O . 1 HETATM 2245 O O . HOH ZZZ 5 . O . HOH 38 -9.515 32.886 16.665 1.000 14.059 . 38 HOH ZZZ O . 1 HETATM 2246 O O . HOH ZZZ 5 . O . HOH 39 -6.597 8.664 32.881 1.000 33.253 . 39 HOH ZZZ O . 1 HETATM 2247 O O . HOH ZZZ 5 . O . HOH 40 1.717 3.847 17.375 1.000 26.653 . 40 HOH ZZZ O . 1 HETATM 2248 O O . HOH ZZZ 5 . O . HOH 41 -2.983 5.780 23.680 1.000 27.024 . 41 HOH ZZZ O . 1 HETATM 2249 O O . HOH ZZZ 5 . O . HOH 42 0.804 2.946 24.679 1.000 30.620 . 42 HOH ZZZ O . 1 HETATM 2250 O O . HOH ZZZ 5 . O . HOH 43 -5.127 8.974 26.211 1.000 30.133 . 43 HOH ZZZ O . 1 HETATM 2251 O O . HOH ZZZ 5 . O . HOH 44 5.206 23.632 9.455 1.000 21.753 . 44 HOH ZZZ O . 1 HETATM 2252 O O . HOH ZZZ 5 . O . HOH 45 3.567 24.510 3.486 1.000 35.672 . 45 HOH ZZZ O . 1 HETATM 2253 O O . HOH ZZZ 5 . O . HOH 46 5.627 24.151 6.733 1.000 32.149 . 46 HOH ZZZ O . 1 HETATM 2254 O O . HOH ZZZ 5 . O . HOH 47 7.352 25.186 16.022 1.000 15.198 . 47 HOH ZZZ O . 1 HETATM 2255 O O . HOH ZZZ 5 . O . HOH 48 5.561 25.939 20.262 1.000 21.776 . 48 HOH ZZZ O . 1 HETATM 2256 O O . HOH ZZZ 5 . O . HOH 49 8.164 19.779 14.387 1.000 29.118 . 49 HOH ZZZ O . 1 HETATM 2257 O O . HOH ZZZ 5 . O . HOH 50 7.063 23.625 20.311 1.000 21.766 . 50 HOH ZZZ O . 1 HETATM 2258 O O . HOH ZZZ 5 . O . HOH 51 -8.261 19.733 33.011 1.000 35.407 . 51 HOH ZZZ O . 1 HETATM 2259 O O . HOH ZZZ 5 . O . HOH 52 -3.612 20.059 34.244 1.000 24.915 . 52 HOH ZZZ O . 1 HETATM 2260 O O . HOH ZZZ 5 . O . HOH 53 7.398 16.998 11.255 1.000 16.504 . 53 HOH ZZZ O . 1 HETATM 2261 O O . HOH ZZZ 5 . O . HOH 54 2.374 18.742 5.876 1.000 16.889 . 54 HOH ZZZ O . 1 HETATM 2262 O O . HOH ZZZ 5 . O . HOH 55 4.787 10.168 9.984 1.000 12.040 . 55 HOH ZZZ O . 1 HETATM 2263 O O . HOH ZZZ 5 . O . HOH 56 -2.830 35.417 7.758 1.000 33.009 . 56 HOH ZZZ O . 1 HETATM 2264 O O . HOH ZZZ 5 . O . HOH 57 -0.491 38.557 19.885 1.000 20.868 . 57 HOH ZZZ O . 1 HETATM 2265 O O . HOH ZZZ 5 . O . HOH 58 13.687 13.687 19.328 0.500 3.626 . 58 HOH ZZZ O . 1 HETATM 2266 O O . HOH ZZZ 5 . O . HOH 59 10.604 12.436 15.331 1.000 11.705 . 59 HOH ZZZ O . 1 HETATM 2267 O O . HOH ZZZ 5 . O . HOH 60 14.452 17.709 16.493 1.000 28.160 . 60 HOH ZZZ O . 1 HETATM 2268 O O . HOH ZZZ 5 . O . HOH 61 15.553 15.553 19.328 0.500 19.898 . 61 HOH ZZZ O . 1 HETATM 2269 O O . HOH ZZZ 5 . O . HOH 62 15.796 17.916 18.777 1.000 20.178 . 62 HOH ZZZ O . 1 HETATM 2270 O O . HOH ZZZ 5 . O . HOH 63 10.970 21.990 20.746 1.000 31.988 . 63 HOH ZZZ O . 1 HETATM 2271 O O . HOH ZZZ 5 . O . HOH 64 18.728 19.257 25.191 1.000 25.475 . 64 HOH ZZZ O . 1 HETATM 2272 O O . HOH ZZZ 5 . O . HOH 65 13.559 24.096 27.789 1.000 18.445 . 65 HOH ZZZ O . 1 HETATM 2273 O O . HOH ZZZ 5 . O . HOH 66 20.949 21.438 26.489 1.000 29.117 . 66 HOH ZZZ O . 1 HETATM 2274 O O . HOH ZZZ 5 . O . HOH 67 14.313 24.443 23.987 1.000 28.209 . 67 HOH ZZZ O . 1 HETATM 2275 O O . HOH ZZZ 5 . O . HOH 68 12.333 23.684 32.738 1.000 24.649 . 68 HOH ZZZ O . 1 HETATM 2276 O O . HOH ZZZ 5 . O . HOH 69 18.089 19.181 32.946 1.000 22.738 . 69 HOH ZZZ O . 1 HETATM 2277 O O . HOH ZZZ 5 . O . HOH 70 15.267 16.620 31.771 1.000 25.524 . 70 HOH ZZZ O . 1 HETATM 2278 O O . HOH ZZZ 5 . O . HOH 71 10.234 22.144 29.552 1.000 24.811 . 71 HOH ZZZ O . 1 HETATM 2279 O O . HOH ZZZ 5 . O . HOH 72 8.620 23.050 24.089 1.000 26.515 . 72 HOH ZZZ O . 1 HETATM 2280 O O . HOH ZZZ 5 . O . HOH 73 0.806 15.955 20.271 1.000 10.791 . 73 HOH ZZZ O . 1 HETATM 2281 O O . HOH ZZZ 5 . O . HOH 74 8.752 21.607 19.266 1.000 14.193 . 74 HOH ZZZ O . 1 HETATM 2282 O O . HOH ZZZ 5 . O . HOH 75 5.052 22.506 22.257 1.000 20.921 . 75 HOH ZZZ O . 1 HETATM 2283 O O . HOH ZZZ 5 . O . HOH 76 3.090 20.861 26.016 1.000 15.466 . 76 HOH ZZZ O . 1 HETATM 2284 O O . HOH ZZZ 5 . O . HOH 77 7.220 13.261 32.117 1.000 10.355 . 77 HOH ZZZ O . 1 HETATM 2285 O O . HOH ZZZ 5 . O . HOH 78 2.970 23.157 29.088 1.000 20.197 . 78 HOH ZZZ O . 1 HETATM 2286 O O . HOH ZZZ 5 . O . HOH 79 9.482 7.668 34.603 1.000 35.379 . 79 HOH ZZZ O . 1 HETATM 2287 O O . HOH ZZZ 5 . O . HOH 80 6.860 11.339 33.593 1.000 18.000 . 80 HOH ZZZ O . 1 HETATM 2288 O O . HOH ZZZ 5 . O . HOH 81 4.691 5.191 30.405 1.000 15.419 . 81 HOH ZZZ O . 1 HETATM 2289 O O . HOH ZZZ 5 . O . HOH 82 9.650 4.851 31.456 1.000 11.407 . 82 HOH ZZZ O . 1 HETATM 2290 O O . HOH ZZZ 5 . O . HOH 83 8.933 11.956 31.072 1.000 14.451 . 83 HOH ZZZ O . 1 HETATM 2291 O O . HOH ZZZ 5 . O . HOH 84 12.972 13.919 27.056 1.000 14.412 . 84 HOH ZZZ O . 1 HETATM 2292 O O . HOH ZZZ 5 . O . HOH 85 13.714 6.426 33.854 1.000 28.778 . 85 HOH ZZZ O . 1 HETATM 2293 O O . HOH ZZZ 5 . O . HOH 86 16.468 7.294 29.857 1.000 26.069 . 86 HOH ZZZ O . 1 HETATM 2294 O O . HOH ZZZ 5 . O . HOH 87 17.953 9.416 25.351 1.000 17.745 . 87 HOH ZZZ O . 1 HETATM 2295 O O . HOH ZZZ 5 . O . HOH 88 6.346 11.388 36.104 1.000 28.328 . 88 HOH ZZZ O . 1 HETATM 2296 O O . HOH ZZZ 5 . O . HOH 89 4.779 17.039 43.457 1.000 35.398 . 89 HOH ZZZ O . 1 HETATM 2297 O O . HOH ZZZ 5 . O . HOH 90 5.786 20.116 40.061 1.000 37.605 . 90 HOH ZZZ O . 1 HETATM 2298 O O . HOH ZZZ 5 . O . HOH 91 4.910 21.672 42.411 1.000 33.270 . 91 HOH ZZZ O . 1 HETATM 2299 O O . HOH ZZZ 5 . O . HOH 92 2.299 20.816 42.687 1.000 35.605 . 92 HOH ZZZ O . 1 HETATM 2300 O O . HOH ZZZ 5 . O . HOH 93 4.600 7.945 35.025 1.000 29.041 . 93 HOH ZZZ O . 1 HETATM 2301 O O . HOH ZZZ 5 . O . HOH 94 2.373 13.251 37.380 1.000 29.292 . 94 HOH ZZZ O . 1 HETATM 2302 O O . HOH ZZZ 5 . O . HOH 95 1.858 6.404 31.469 1.000 17.428 . 95 HOH ZZZ O . 1 HETATM 2303 O O . HOH ZZZ 5 . O . HOH 96 -5.824 10.587 31.305 1.000 37.369 . 96 HOH ZZZ O . 1 HETATM 2304 O O . HOH ZZZ 5 . O . HOH 97 -4.694 12.200 32.851 1.000 33.832 . 97 HOH ZZZ O . 1 HETATM 2305 O O . HOH ZZZ 5 . O . HOH 98 3.585 5.366 18.691 1.000 20.341 . 98 HOH ZZZ O . 1 HETATM 2306 O O . HOH ZZZ 5 . O . HOH 99 2.487 4.040 22.516 1.000 21.477 . 99 HOH ZZZ O . 1 HETATM 2307 O O . HOH ZZZ 5 . O . HOH 100 6.510 3.178 24.337 1.000 20.626 . 100 HOH ZZZ O . 1 HETATM 2308 O O . HOH ZZZ 5 . O . HOH 101 -2.057 6.604 21.200 1.000 21.564 . 101 HOH ZZZ O . 1 HETATM 2309 O O . HOH ZZZ 5 . O . HOH 102 0.130 13.304 17.518 1.000 23.169 . 102 HOH ZZZ O . 1 HETATM 2310 O O . HOH ZZZ 5 . O . HOH 103 -1.284 11.259 17.229 1.000 11.445 . 103 HOH ZZZ O . 1 HETATM 2311 O O . HOH ZZZ 5 . O . HOH 104 -2.357 4.401 19.621 1.000 33.928 . 104 HOH ZZZ O . 1 HETATM 2312 O O . HOH ZZZ 5 . O . HOH 105 -2.907 4.578 15.539 1.000 36.192 . 105 HOH ZZZ O . 1 HETATM 2313 O O . HOH ZZZ 5 . O . HOH 106 1.119 3.069 12.540 1.000 33.420 . 106 HOH ZZZ O . 1 HETATM 2314 O O . HOH ZZZ 5 . O . HOH 107 2.138 4.426 10.407 1.000 32.508 . 107 HOH ZZZ O . 1 HETATM 2315 O O . HOH ZZZ 5 . O . HOH 108 -1.641 5.404 9.568 1.000 27.178 . 108 HOH ZZZ O . 1 HETATM 2316 O O . HOH ZZZ 5 . O . HOH 109 -5.218 5.405 12.794 0.500 14.802 . 109 HOH ZZZ O . 1 HETATM 2317 O O . HOH ZZZ 5 . O . HOH 110 -4.872 3.747 14.284 0.500 28.602 . 110 HOH ZZZ O . 1 HETATM 2318 O O . HOH ZZZ 5 . O . HOH 111 -5.368 8.524 11.700 1.000 24.327 . 111 HOH ZZZ O . 1 HETATM 2319 O O . HOH ZZZ 5 . O . HOH 112 0.230 4.394 14.750 1.000 20.025 . 112 HOH ZZZ O . 1 HETATM 2320 O O . HOH ZZZ 5 . O . HOH 113 2.033 6.506 11.817 1.000 18.625 . 113 HOH ZZZ O . 1 HETATM 2321 O O . HOH ZZZ 5 . O . HOH 114 -2.166 10.326 19.743 1.000 12.737 . 114 HOH ZZZ O . 1 HETATM 2322 O O . HOH ZZZ 5 . O . HOH 115 -4.272 7.819 20.293 1.000 13.516 . 115 HOH ZZZ O . 1 HETATM 2323 O O . HOH ZZZ 5 . O . HOH 116 -10.992 7.700 19.921 1.000 25.968 . 116 HOH ZZZ O . 1 HETATM 2324 O O . HOH ZZZ 5 . O . HOH 117 -3.996 11.449 26.359 1.000 14.551 . 117 HOH ZZZ O . 1 HETATM 2325 O O . HOH ZZZ 5 . O . HOH 118 -8.617 15.462 28.496 1.000 28.784 . 118 HOH ZZZ O . 1 HETATM 2326 O O . HOH ZZZ 5 . O . HOH 119 -14.758 17.443 25.044 1.000 44.611 . 119 HOH ZZZ O . 1 HETATM 2327 O O . HOH ZZZ 5 . O . HOH 120 -15.276 14.993 22.883 1.000 31.763 . 120 HOH ZZZ O . 1 HETATM 2328 O O . HOH ZZZ 5 . O . HOH 121 -4.950 12.092 28.889 1.000 22.201 . 121 HOH ZZZ O . 1 HETATM 2329 O O . HOH ZZZ 5 . O . HOH 122 -5.993 21.142 32.983 1.000 23.525 . 122 HOH ZZZ O . 1 HETATM 2330 O O . HOH ZZZ 5 . O . HOH 123 -6.757 27.706 30.144 1.000 16.609 . 123 HOH ZZZ O . 1 HETATM 2331 O O . HOH ZZZ 5 . O . HOH 124 -12.135 23.031 29.416 1.000 27.109 . 124 HOH ZZZ O . 1 HETATM 2332 O O . HOH ZZZ 5 . O . HOH 125 -7.334 26.293 34.956 1.000 32.489 . 125 HOH ZZZ O . 1 HETATM 2333 O O . HOH ZZZ 5 . O . HOH 126 -2.240 26.641 28.899 1.000 27.798 . 126 HOH ZZZ O . 1 HETATM 2334 O O . HOH ZZZ 5 . O . HOH 127 -3.592 29.082 36.425 1.000 26.460 . 127 HOH ZZZ O . 1 HETATM 2335 O O . HOH ZZZ 5 . O . HOH 128 0.262 25.480 29.869 1.000 31.277 . 128 HOH ZZZ O . 1 HETATM 2336 O O . HOH ZZZ 5 . O . HOH 129 -2.589 30.672 34.835 1.000 38.812 . 129 HOH ZZZ O . 1 HETATM 2337 O O . HOH ZZZ 5 . O . HOH 130 5.506 25.757 23.055 1.000 20.871 . 130 HOH ZZZ O . 1 HETATM 2338 O O . HOH ZZZ 5 . O . HOH 131 1.516 37.050 18.716 1.000 25.006 . 131 HOH ZZZ O . 1 HETATM 2339 O O . HOH ZZZ 5 . O . HOH 132 4.149 31.877 10.057 1.000 11.601 . 132 HOH ZZZ O . 1 HETATM 2340 O O . HOH ZZZ 5 . O . HOH 133 0.676 33.060 10.178 1.000 31.372 . 133 HOH ZZZ O . 1 HETATM 2341 O O . HOH ZZZ 5 . O . HOH 134 0.014 36.275 25.897 1.000 23.925 . 134 HOH ZZZ O . 1 HETATM 2342 O O . HOH ZZZ 5 . O . HOH 135 -0.873 38.440 14.919 1.000 22.585 . 135 HOH ZZZ O . 1 HETATM 2343 O O . HOH ZZZ 5 . O . HOH 136 0.316 37.769 22.467 1.000 22.805 . 136 HOH ZZZ O . 1 HETATM 2344 O O . HOH ZZZ 5 . O . HOH 137 0.697 35.475 15.616 1.000 15.693 . 137 HOH ZZZ O . 1 HETATM 2345 O O . HOH ZZZ 5 . O . HOH 138 -3.865 41.016 14.001 1.000 31.211 . 138 HOH ZZZ O . 1 HETATM 2346 O O . HOH ZZZ 5 . O . HOH 139 -3.342 38.951 18.733 1.000 20.316 . 139 HOH ZZZ O . 1 HETATM 2347 O O . HOH ZZZ 5 . O . HOH 140 -7.006 36.989 17.473 1.000 8.168 . 140 HOH ZZZ O . 1 HETATM 2348 O O . HOH ZZZ 5 . O . HOH 141 -7.329 34.870 15.454 1.000 12.517 . 141 HOH ZZZ O . 1 HETATM 2349 O O . HOH ZZZ 5 . O . HOH 142 -7.967 37.340 5.829 1.000 23.986 . 142 HOH ZZZ O . 1 HETATM 2350 O O . HOH ZZZ 5 . O . HOH 143 -4.277 33.123 7.872 1.000 21.377 . 143 HOH ZZZ O . 1 HETATM 2351 O O . HOH ZZZ 5 . O . HOH 144 -4.329 37.070 8.864 1.000 25.408 . 144 HOH ZZZ O . 1 HETATM 2352 O O . HOH ZZZ 5 . O . HOH 145 -2.863 32.126 10.085 1.000 19.054 . 145 HOH ZZZ O . 1 HETATM 2353 O O . HOH ZZZ 5 . O . HOH 146 -21.968 19.304 -2.343 1.000 24.549 . 146 HOH ZZZ O . 1 HETATM 2354 O O . HOH ZZZ 5 . O . HOH 147 -15.291 15.771 7.342 1.000 23.003 . 147 HOH ZZZ O . 1 HETATM 2355 O O . HOH ZZZ 5 . O . HOH 148 -23.018 19.423 0.532 1.000 30.147 . 148 HOH ZZZ O . 1 HETATM 2356 O O . HOH ZZZ 5 . O . HOH 149 -16.645 16.194 9.199 0.500 13.419 . 149 HOH ZZZ O . 1 HETATM 2357 O O . HOH ZZZ 5 . O . HOH 150 -1.977 24.093 39.553 1.000 27.202 . 150 HOH ZZZ O . 1 HETATM 2358 O O . HOH ZZZ 5 . O . HOH 151 5.043 28.292 40.678 1.000 17.063 . 151 HOH ZZZ O . 1 HETATM 2359 O O . HOH ZZZ 5 . O . HOH 152 -0.958 25.498 37.783 1.000 19.701 . 152 HOH ZZZ O . 1 HETATM 2360 O O . HOH ZZZ 5 . O . HOH 153 -0.118 23.257 43.217 1.000 29.044 . 153 HOH ZZZ O . 1 HETATM 2361 O O . HOH ZZZ 5 . O . HOH 154 -0.261 25.608 40.756 1.000 24.717 . 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