data_xxxx # _entry.id xxxx # # _cell.length_a 77.243 _cell.length_b 77.243 _cell.length_c 38.656 _cell.angle_alpha 90.000 _cell.angle_beta 90.000 _cell.angle_gamma 90.000 # _symmetry.entry_id xxxx _symmetry.space_group_name_H-M 'P 43 21 2' _symmetry.Int_Tables_number 96 # loop_ _entity.id _entity.type 1 polymer 2 non-polymer 3 non-polymer 4 non-polymer 5 water # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 LYS n 1 2 VAL n 1 3 PHE n 1 4 GLY n 1 5 ARG n 1 6 CYS n 1 7 GLU n 1 8 LEU n 1 9 ALA n 1 10 ALA n 1 11 ALA n 1 12 MET n 1 13 LYS n 1 14 ARG n 1 15 HIS n 1 16 GLY n 1 17 LEU n 1 18 ASP n 1 19 ASN n 1 20 TYR n 1 21 ARG n 1 22 GLY n 1 23 TYR n 1 24 SER n 1 25 LEU n 1 26 GLY n 1 27 ASN n 1 28 TRP n 1 29 VAL n 1 30 CYS n 1 31 ALA n 1 32 ALA n 1 33 LYS n 1 34 PHE n 1 35 GLU n 1 36 SER n 1 37 ASN n 1 38 PHE n 1 39 ASN n 1 40 THR n 1 41 GLN n 1 42 ALA n 1 43 THR n 1 44 ASN n 1 45 ARG n 1 46 ASN n 1 47 THR n 1 48 ASP n 1 49 GLY n 1 50 SER n 1 51 THR n 1 52 ASP n 1 53 TYR n 1 54 GLY n 1 55 ILE n 1 56 LEU n 1 57 GLN n 1 58 ILE n 1 59 ASN n 1 60 SER n 1 61 ARG n 1 62 TRP n 1 63 TRP n 1 64 CYS n 1 65 ASN n 1 66 ASP n 1 67 GLY n 1 68 ARG n 1 69 THR n 1 70 PRO n 1 71 GLY n 1 72 SER n 1 73 ARG n 1 74 ASN n 1 75 LEU n 1 76 CYS n 1 77 ASN n 1 78 ILE n 1 79 PRO n 1 80 CYS n 1 81 SER n 1 82 ALA n 1 83 LEU n 1 84 LEU n 1 85 SER n 1 86 SER n 1 87 ASP n 1 88 ILE n 1 89 THR n 1 90 ALA n 1 91 SER n 1 92 VAL n 1 93 ASN n 1 94 CYS n 1 95 ALA n 1 96 LYS n 1 97 LYS n 1 98 ILE n 1 99 VAL n 1 100 SER n 1 101 ASP n 1 102 GLY n 1 103 ASN n 1 104 GLY n 1 105 MET n 1 106 ASN n 1 107 ALA n 1 108 TRP n 1 109 VAL n 1 110 ALA n 1 111 TRP n 1 112 ARG n 1 113 ASN n 1 114 ARG n 1 115 CYS n 1 116 LYS n 1 117 GLY n 1 118 THR n 1 119 ASP n 1 120 VAL n 1 121 GLN n 1 122 ALA n 1 123 TRP n 1 124 ILE n 1 125 ARG n 1 126 GLY n 1 127 CYS n 1 128 ARG n 1 129 LEU n # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.ptnr1_label_seq_id _struct_conn.pdbx_prtn1_PDB_ins_code _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.ptnr2_label_seq_id _struct_conn.pdbx_prtn2_PDB_ins_code _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_dist_value _struct_conn.ccp4_link_id 1 disulf SG . 6 . CYS AAA . SG . 127 . CYS AAA . . SS 2 disulf SG . 30 . CYS AAA . SG . 115 . CYS AAA . . SS 3 disulf SG . 64 . CYS AAA . SG . 80 . CYS AAA . . SS 4 disulf SG . 76 . CYS AAA . SG . 94 . CYS AAA . . SS # _software.pdbx_ordinal 1 _software.classification refinement _software.contact_author 'Garib N. Murshudov' _software.contact_author_email garib@mrc-lmb.cam.ac.uk _software.description '(un)restrained refinement or idealisation of macromolecular structures' _software.name refmac _software.version '5.8.0258' _software.date '2019-09-10' _refine.details 'Hydrogens have been added in their riding positions' _refine.B_iso_mean 13.682 _refine.aniso_B[1][1] 0.027 _refine.aniso_B[2][2] 0.027 _refine.aniso_B[3][3] -0.054 _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 1.600 _refine.ls_d_res_low 38.623 _refine.ls_number_reflns_R_work 14475 _refine.ls_number_reflns_R_free 1481 _refine.ls_number_reflns_obs 15956 _refine.ls_R_factor_R_work 0.0654 _refine.ls_R_factor_R_free 0.0745 _refine.ls_R_factor_all 0.066 _refine.ls_wR_factor_R_work 0.057 _refine.ls_wR_factor_R_free 0.064 _refine.ls_percent_reflns_obs 99.919 _refine.ls_percent_reflns_R_free 9.282 _refine.correlation_coeff_Fo_to_Fc 0.989 _refine.correlation_coeff_Fo_to_Fc_free 0.991 _refine.pdbx_overall_ESU_R 0.038 _refine.pdbx_overall_ESU_R_Free 0.036 _refine.overall_SU_ML 0.023 _refine.overall_SU_B 0.738 _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work 0.9871 _refine.pdbx_average_fsc_free 0.9872 _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 3.192 2166 99.8615 1961 0.079 0.079 202 0.075 0.090 0.990 0.993 'X-RAY DIFFRACTION' 4 3.192 2.261 3666 99.8636 3334 0.038 0.040 327 0.055 0.034 0.996 0.993 'X-RAY DIFFRACTION' 4 2.261 1.847 4683 99.9786 4213 0.050 0.052 469 0.064 0.037 0.994 0.994 'X-RAY DIFFRACTION' 4 1.847 1.600 5453 99.9450 4967 0.111 0.113 483 0.128 0.081 0.974 0.973 'X-RAY DIFFRACTION' # loop_ _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.pdbx_refine_id r_bond_refined_d 1081 0.013 0.013 'X-RAY DIFFRACTION' r_bond_other_d 960 0.001 0.018 'X-RAY DIFFRACTION' r_angle_refined_deg 1461 1.936 1.652 'X-RAY DIFFRACTION' r_angle_other_deg 2223 1.590 1.582 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 128 3.304 5.000 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 61 29.999 20.656 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 166 10.970 15.000 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 11 14.236 15.000 'X-RAY DIFFRACTION' r_chiral_restr 136 0.102 0.200 'X-RAY DIFFRACTION' r_gen_planes_refined 1211 0.008 0.020 'X-RAY DIFFRACTION' r_gen_planes_other 246 0.002 0.020 'X-RAY DIFFRACTION' r_nbd_refined 283 0.227 0.200 'X-RAY DIFFRACTION' r_symmetry_nbd_other 993 0.200 0.200 'X-RAY DIFFRACTION' r_nbtor_refined 540 0.179 0.200 'X-RAY DIFFRACTION' r_symmetry_nbtor_other 480 0.105 0.200 'X-RAY DIFFRACTION' r_xyhbond_nbd_refined 97 0.167 0.200 'X-RAY DIFFRACTION' r_metal_ion_refined 6 0.117 0.200 'X-RAY DIFFRACTION' r_symmetry_nbd_refined 12 0.221 0.200 'X-RAY DIFFRACTION' r_nbd_other 52 0.188 0.200 'X-RAY DIFFRACTION' r_symmetry_xyhbond_nbd_refined 9 0.212 0.200 'X-RAY DIFFRACTION' r_mcbond_it 514 0.675 1.320 'X-RAY DIFFRACTION' r_mcbond_other 514 0.675 1.320 'X-RAY DIFFRACTION' r_mcangle_it 642 0.773 1.982 'X-RAY DIFFRACTION' r_mcangle_other 643 0.772 1.985 'X-RAY DIFFRACTION' r_scbond_it 566 1.060 1.452 'X-RAY DIFFRACTION' r_scbond_other 567 1.059 1.452 'X-RAY DIFFRACTION' r_scangle_it 819 1.353 2.146 'X-RAY DIFFRACTION' r_scangle_other 820 1.352 2.147 'X-RAY DIFFRACTION' r_lrange_it 1361 3.453 17.039 'X-RAY DIFFRACTION' r_lrange_other 1332 3.197 16.637 '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 2.275 9.237 10.891 1.000 13.261 . 1 LYS AAA N . 1 ATOM 2 H H . LYS AAA 1 1 H . LYS 1 1.876 8.793 11.580 1.000 13.319 . 1 LYS AAA H c 1 ATOM 3 H H2 . LYS AAA 1 1 H2 . LYS 1 2.714 10.021 11.233 1.000 13.320 . 1 LYS AAA H2 c 1 ATOM 4 H H3 . LYS AAA 1 1 H3 . LYS 1 2.928 8.663 10.483 1.000 13.319 . 1 LYS AAA H3 c 1 ATOM 5 C CA . LYS AAA 1 1 CA . LYS 1 1.268 9.619 9.882 1.000 13.451 . 1 LYS AAA CA . 1 ATOM 6 H HA . LYS AAA 1 1 HA . LYS 1 1.478 9.143 9.045 1.000 13.417 . 1 LYS AAA HA c 1 ATOM 7 C CB A LYS AAA 1 1 CB . LYS 1 -0.143 9.223 10.329 0.500 13.392 . 1 LYS AAA CB . 1 ATOM 8 H HB3 . LYS AAA 1 1 HB3 . LYS 1 -0.285 9.563 11.237 0.500 13.362 . 1 LYS AAA HB3 c 1 ATOM 9 H HB2 . LYS AAA 1 1 HB2 . LYS 1 -0.191 8.245 10.368 0.500 13.362 . 1 LYS AAA HB2 c 1 ATOM 10 C CG A LYS AAA 1 1 CG . LYS 1 -1.273 9.722 9.452 0.500 13.207 . 1 LYS AAA CG . 1 ATOM 11 H HG3 . LYS AAA 1 1 HG3 . LYS 1 -1.087 9.471 8.522 0.500 13.391 . 1 LYS AAA HG3 c 1 ATOM 12 H HG2 . LYS AAA 1 1 HG2 . LYS 1 -1.304 10.701 9.499 0.500 13.391 . 1 LYS AAA HG2 c 1 ATOM 13 C CD A LYS AAA 1 1 CD . LYS 1 -2.636 9.167 9.854 0.500 13.814 . 1 LYS AAA CD . 1 ATOM 14 H HD3 . LYS AAA 1 1 HD3 . LYS 1 -2.846 9.441 10.772 0.500 13.806 . 1 LYS AAA HD3 c 1 ATOM 15 H HD2 . LYS AAA 1 1 HD2 . LYS 1 -2.615 8.187 9.818 0.500 13.806 . 1 LYS AAA HD2 c 1 ATOM 16 C CE A LYS AAA 1 1 CE . LYS 1 -3.703 9.681 8.919 0.500 14.411 . 1 LYS AAA CE . 1 ATOM 17 H HE3 . LYS AAA 1 1 HE3 . LYS 1 -3.652 10.654 8.869 0.500 14.051 . 1 LYS AAA HE3 c 1 ATOM 18 H HE2 . LYS AAA 1 1 HE2 . LYS 1 -4.583 9.440 9.264 0.500 14.051 . 1 LYS AAA HE2 c 1 ATOM 19 N NZ A LYS AAA 1 1 NZ . LYS 1 -3.547 9.116 7.555 0.500 13.502 . 1 LYS AAA NZ . 1 ATOM 20 H HZ1 . LYS AAA 1 1 HZ1 . LYS 1 -2.739 9.351 7.215 0.500 13.776 . 1 LYS AAA HZ1 c 1 ATOM 21 H HZ2 . LYS AAA 1 1 HZ2 . LYS 1 -4.201 9.435 7.013 0.500 13.776 . 1 LYS AAA HZ2 c 1 ATOM 22 H HZ3 . LYS AAA 1 1 HZ3 . LYS 1 -3.603 8.212 7.588 0.500 13.776 . 1 LYS AAA HZ3 c 1 ATOM 23 C C . LYS AAA 1 1 C . LYS 1 1.334 11.132 9.617 1.000 13.514 . 1 LYS AAA C . 1 ATOM 24 O O . LYS AAA 1 1 O . LYS 1 1.288 11.941 10.545 1.000 13.183 . 1 LYS AAA O . 1 ATOM 26 N N . VAL AAA 1 2 N . VAL 2 1.387 11.522 8.364 1.000 14.088 . 2 VAL AAA N . 1 ATOM 27 H H . VAL AAA 1 2 H . VAL 2 1.438 10.949 7.658 1.000 13.724 . 2 VAL AAA H c 1 ATOM 28 C CA . VAL AAA 1 2 CA . VAL 2 1.368 12.963 7.988 1.000 13.148 . 2 VAL AAA CA . 1 ATOM 29 H HA . VAL AAA 1 2 HA . VAL 2 1.514 13.501 8.784 1.000 13.682 . 2 VAL AAA HA c 1 ATOM 30 C CB . VAL AAA 1 2 CB . VAL 2 2.436 13.319 6.948 1.000 14.306 . 2 VAL AAA CB . 1 ATOM 31 H HB . VAL AAA 1 2 HB . VAL 2 2.296 12.745 6.155 1.000 14.488 . 2 VAL AAA HB c 1 ATOM 32 C CG1 . VAL AAA 1 2 CG1 . VAL 2 2.309 14.763 6.520 1.000 15.096 . 2 VAL AAA CG1 . 1 ATOM 33 H HG11 . VAL AAA 1 2 HG11 . VAL 2 1.495 14.878 5.996 1.000 14.847 . 2 VAL AAA HG11 c 1 ATOM 34 H HG12 . VAL AAA 1 2 HG12 . VAL 2 3.079 15.010 5.978 1.000 14.850 . 2 VAL AAA HG12 c 1 ATOM 35 H HG13 . VAL AAA 1 2 HG13 . VAL 2 2.271 15.333 7.309 1.000 14.849 . 2 VAL AAA HG13 c 1 ATOM 36 C CG2 . VAL AAA 1 2 CG2 . VAL 2 3.808 13.042 7.501 1.000 15.762 . 2 VAL AAA CG2 . 1 ATOM 37 H HG21 . VAL AAA 1 2 HG21 . VAL 2 3.940 13.555 8.317 1.000 15.298 . 2 VAL AAA HG21 c 1 ATOM 38 H HG22 . VAL AAA 1 2 HG22 . VAL 2 4.481 13.298 6.846 1.000 15.297 . 2 VAL AAA HG22 c 1 ATOM 39 H HG23 . VAL AAA 1 2 HG23 . VAL 2 3.894 12.093 7.698 1.000 15.296 . 2 VAL AAA HG23 c 1 ATOM 40 C C . VAL AAA 1 2 C . VAL 2 -0.049 13.218 7.465 1.000 13.922 . 2 VAL AAA C . 1 ATOM 41 O O . VAL AAA 1 2 O . VAL 2 -0.427 12.730 6.371 1.000 12.775 . 2 VAL AAA O . 1 ATOM 43 N N . PHE AAA 1 3 N . PHE 3 -0.815 13.984 8.222 1.000 14.417 . 3 PHE AAA N . 1 ATOM 44 H H . PHE AAA 1 3 H . PHE 3 -0.533 14.388 8.989 1.000 13.962 . 3 PHE AAA H c 1 ATOM 45 C CA . PHE AAA 1 3 CA . PHE 3 -2.223 14.273 7.897 1.000 13.053 . 3 PHE AAA CA . 1 ATOM 46 H HA . PHE AAA 1 3 HA . PHE 3 -2.661 13.448 7.565 1.000 13.614 . 3 PHE AAA HA c 1 ATOM 47 C CB . PHE AAA 1 3 CB . PHE 3 -2.993 14.806 9.108 1.000 13.398 . 3 PHE AAA CB . 1 ATOM 48 H HB3 . PHE AAA 1 3 HB3 . PHE 3 -3.748 15.340 8.784 1.000 13.483 . 3 PHE AAA HB3 c 1 ATOM 49 H HB2 . PHE AAA 1 3 HB2 . PHE 3 -2.403 15.401 9.616 1.000 13.484 . 3 PHE AAA HB2 c 1 ATOM 50 C CG . PHE AAA 1 3 CG . PHE 3 -3.510 13.752 10.017 1.000 14.122 . 3 PHE AAA CG . 1 ATOM 51 C CD1 . PHE AAA 1 3 CD1 . PHE 3 -2.636 13.058 10.844 1.000 13.433 . 3 PHE AAA CD1 . 1 ATOM 52 H HD1 . PHE AAA 1 3 HD1 . PHE 3 -1.713 13.257 10.826 1.000 13.719 . 3 PHE AAA HD1 c 1 ATOM 53 C CE1 . PHE AAA 1 3 CE1 . PHE 3 -3.130 12.097 11.728 1.000 13.866 . 3 PHE AAA CE1 . 1 ATOM 54 H HE1 . PHE AAA 1 3 HE1 . PHE 3 -2.532 11.625 12.283 1.000 13.733 . 3 PHE AAA HE1 c 1 ATOM 55 C CZ . PHE AAA 1 3 CZ . PHE 3 -4.485 11.806 11.779 1.000 13.646 . 3 PHE AAA CZ . 1 ATOM 56 H HZ . PHE AAA 1 3 HZ . PHE 3 -4.810 11.140 12.364 1.000 13.954 . 3 PHE AAA HZ c 1 ATOM 57 C CD2 . PHE AAA 1 3 CD2 . PHE 3 -4.874 13.455 10.071 1.000 14.110 . 3 PHE AAA CD2 . 1 ATOM 58 H HD2 . PHE AAA 1 3 HD2 . PHE 3 -5.476 13.928 9.521 1.000 14.224 . 3 PHE AAA HD2 c 1 ATOM 59 C CE2 . PHE AAA 1 3 CE2 . PHE 3 -5.350 12.492 10.949 1.000 14.796 . 3 PHE AAA CE2 . 1 ATOM 60 H HE2 . PHE AAA 1 3 HE2 . PHE 3 -6.274 12.300 10.975 1.000 14.311 . 3 PHE AAA HE2 c 1 ATOM 61 C C . PHE AAA 1 3 C . PHE 3 -2.311 15.360 6.820 1.000 14.353 . 3 PHE AAA C . 1 ATOM 62 O O . PHE AAA 1 3 O . PHE 3 -1.417 16.216 6.686 1.000 13.786 . 3 PHE AAA O . 1 ATOM 64 N N . GLY AAA 1 4 N . GLY 4 -3.408 15.302 6.059 1.000 13.985 . 4 GLY AAA N . 1 ATOM 65 H H . GLY AAA 1 4 H . GLY 4 -4.003 14.614 6.092 1.000 13.902 . 4 GLY AAA H c 1 ATOM 66 C CA . GLY AAA 1 4 CA . GLY 4 -3.714 16.351 5.104 1.000 13.312 . 4 GLY AAA CA . 1 ATOM 67 H HA3 . GLY AAA 1 4 HA3 . GLY 4 -4.338 16.016 4.415 1.000 13.522 . 4 GLY AAA HA3 c 1 ATOM 68 H HA2 . GLY AAA 1 4 HA2 . GLY 4 -2.885 16.693 4.685 1.000 13.524 . 4 GLY AAA HA2 c 1 ATOM 69 C C . GLY AAA 1 4 C . GLY 4 -4.367 17.415 5.946 1.000 13.544 . 4 GLY AAA C . 1 ATOM 70 O O . GLY AAA 1 4 O . GLY 4 -4.846 17.071 7.043 1.000 13.166 . 4 GLY AAA O . 1 ATOM 72 N N . ARG AAA 1 5 N . ARG 5 -4.372 18.650 5.477 1.000 12.506 . 5 ARG AAA N . 1 ATOM 73 H H . ARG AAA 1 5 H . ARG 5 -4.024 18.893 4.670 1.000 12.810 . 5 ARG AAA H c 1 ATOM 74 C CA . ARG AAA 1 5 CA . ARG 5 -4.973 19.747 6.283 1.000 12.785 . 5 ARG AAA CA . 1 ATOM 75 H HA . ARG AAA 1 5 HA . ARG 5 -4.454 19.846 7.114 1.000 12.718 . 5 ARG AAA HA c 1 ATOM 76 C CB . ARG AAA 1 5 CB . ARG 5 -4.869 21.047 5.468 1.000 12.781 . 5 ARG AAA CB . 1 ATOM 77 H HB3 . ARG AAA 1 5 HB3 . ARG 5 -5.331 20.917 4.614 1.000 13.393 . 5 ARG AAA HB3 c 1 ATOM 78 H HB2 . ARG AAA 1 5 HB2 . ARG 5 -3.924 21.220 5.275 1.000 13.409 . 5 ARG AAA HB2 c 1 ATOM 79 C CG . ARG AAA 1 5 CG . ARG 5 -5.457 22.265 6.163 1.000 15.517 . 5 ARG AAA CG . 1 ATOM 80 H HG3 . ARG AAA 1 5 HG3 . ARG 5 -5.057 22.365 7.053 1.000 14.917 . 5 ARG AAA HG3 c 1 ATOM 81 H HG2 . ARG AAA 1 5 HG2 . ARG 5 -6.426 22.154 6.267 1.000 14.914 . 5 ARG AAA HG2 c 1 ATOM 82 C CD . ARG AAA 1 5 CD . ARG 5 -5.175 23.517 5.331 1.000 15.943 . 5 ARG AAA CD . 1 ATOM 83 H HD3 . ARG AAA 1 5 HD3 . ARG 5 -4.205 23.623 5.246 1.000 16.365 . 5 ARG AAA HD3 c 1 ATOM 84 H HD2 . ARG AAA 1 5 HD2 . ARG 5 -5.516 24.304 5.804 1.000 16.366 . 5 ARG AAA HD2 c 1 ATOM 85 N NE . ARG AAA 1 5 NE . ARG 5 -5.755 23.463 3.996 1.000 18.296 . 5 ARG AAA NE . 1 ATOM 86 H HE . ARG AAA 1 5 HE . ARG 5 -5.246 23.187 3.344 1.000 17.330 . 5 ARG AAA HE c 1 ATOM 87 C CZ . ARG AAA 1 5 CZ . ARG 5 -7.007 23.832 3.692 1.000 16.731 . 5 ARG AAA CZ . 1 ATOM 88 N NH1 . ARG AAA 1 5 NH1 . ARG 5 -7.811 24.260 4.635 1.000 16.873 . 5 ARG AAA NH1 . 1 ATOM 89 H HH11 . ARG AAA 1 5 HH11 . ARG 5 -7.534 24.312 5.462 1.000 16.858 . 5 ARG AAA HH11 c 1 ATOM 90 H HH12 . ARG AAA 1 5 HH12 . ARG 5 -8.634 24.495 4.433 1.000 16.862 . 5 ARG AAA HH12 c 1 ATOM 91 N NH2 . ARG AAA 1 5 NH2 . ARG 5 -7.453 23.754 2.441 1.000 17.549 . 5 ARG AAA NH2 . 1 ATOM 92 H HH21 . ARG AAA 1 5 HH21 . ARG 5 -6.919 23.466 1.801 1.000 17.271 . 5 ARG AAA HH21 c 1 ATOM 93 H HH22 . ARG AAA 1 5 HH22 . ARG 5 -8.280 23.993 2.252 1.000 17.271 . 5 ARG AAA HH22 c 1 ATOM 94 C C . ARG AAA 1 5 C . ARG 5 -6.440 19.432 6.645 1.000 12.718 . 5 ARG AAA C . 1 ATOM 95 O O . ARG AAA 1 5 O . ARG 5 -6.824 19.486 7.827 1.000 13.283 . 5 ARG AAA O . 1 ATOM 97 N N . CYS AAA 1 6 N . CYS 6 -7.293 19.195 5.664 1.000 13.024 . 6 CYS AAA N . 1 ATOM 98 H H . CYS AAA 1 6 H . CYS 6 -7.080 19.172 4.778 1.000 13.081 . 6 CYS AAA H c 1 ATOM 99 C CA . CYS AAA 1 6 CA . CYS 6 -8.750 18.929 5.950 1.000 13.541 . 6 CYS AAA CA . 1 ATOM 100 H HA . CYS AAA 1 6 HA . CYS 6 -9.081 19.662 6.517 1.000 13.389 . 6 CYS AAA HA c 1 ATOM 101 C CB . CYS AAA 1 6 CB . CYS 6 -9.538 18.942 4.649 1.000 15.320 . 6 CYS AAA CB . 1 ATOM 102 H HB3 . CYS AAA 1 6 HB3 . CYS 6 -10.454 18.646 4.830 1.000 15.193 . 6 CYS AAA HB3 c 1 ATOM 103 H HB2 . CYS AAA 1 6 HB2 . CYS 6 -9.136 18.301 4.028 1.000 15.195 . 6 CYS AAA HB2 c 1 ATOM 104 S SG . CYS AAA 1 6 SG . CYS 6 -9.617 20.572 3.822 1.000 16.773 . 6 CYS AAA SG . 1 ATOM 105 C C . CYS AAA 1 6 C . CYS 6 -8.942 17.627 6.705 1.000 11.695 . 6 CYS AAA C . 1 ATOM 106 O O . CYS AAA 1 6 O . CYS 6 -9.890 17.497 7.471 1.000 12.377 . 6 CYS AAA O . 1 ATOM 108 N N . GLU AAA 1 7 N . GLU 7 -8.095 16.652 6.410 1.000 12.360 . 7 GLU AAA N . 1 ATOM 109 H H . GLU AAA 1 7 H . GLU 7 -7.450 16.726 5.771 1.000 12.164 . 7 GLU AAA H c 1 ATOM 110 C CA . GLU AAA 1 7 CA . GLU 7 -8.134 15.346 7.088 1.000 12.178 . 7 GLU AAA CA . 1 ATOM 111 H HA . GLU AAA 1 7 HA . GLU 7 -9.014 14.941 6.942 1.000 12.221 . 7 GLU AAA HA c 1 ATOM 112 C CB . GLU AAA 1 7 CB . GLU 7 -7.065 14.427 6.522 1.000 12.770 . 7 GLU AAA CB . 1 ATOM 113 H HB3 . GLU AAA 1 7 HB3 . GLU 7 -6.194 14.861 6.626 1.000 12.819 . 7 GLU AAA HB3 c 1 ATOM 114 H HB2 . GLU AAA 1 7 HB2 . GLU 7 -7.229 14.306 5.563 1.000 12.815 . 7 GLU AAA HB2 c 1 ATOM 115 C CG . GLU AAA 1 7 CG . GLU 7 -7.024 13.060 7.196 1.000 13.587 . 7 GLU AAA CG . 1 ATOM 116 H HG3 . GLU AAA 1 7 HG3 . GLU 7 -7.876 12.600 7.042 1.000 13.233 . 7 GLU AAA HG3 c 1 ATOM 117 H HG2 . GLU AAA 1 7 HG2 . GLU 7 -6.918 13.175 8.161 1.000 13.200 . 7 GLU AAA HG2 c 1 ATOM 118 C CD . GLU AAA 1 7 CD . GLU 7 -5.895 12.179 6.682 1.000 12.749 . 7 GLU AAA CD . 1 ATOM 119 O OE1 . GLU AAA 1 7 OE1 . GLU 7 -4.932 12.724 6.127 1.000 14.070 . 7 GLU AAA OE1 . 1 ATOM 120 O OE2 . GLU AAA 1 7 OE2 . GLU 7 -6.079 10.935 6.706 1.000 15.090 . 7 GLU AAA OE2 . 1 ATOM 121 C C . GLU AAA 1 7 C . GLU 7 -7.944 15.569 8.583 1.000 11.653 . 7 GLU AAA C . 1 ATOM 122 O O . GLU AAA 1 7 O . GLU 7 -8.691 15.013 9.386 1.000 12.559 . 7 GLU AAA O . 1 ATOM 124 N N . LEU AAA 1 8 N . LEU 8 -6.962 16.392 8.931 1.000 12.044 . 8 LEU AAA N . 1 ATOM 125 H H . LEU AAA 1 8 H . LEU 8 -6.429 16.833 8.338 1.000 11.810 . 8 LEU AAA H c 1 ATOM 126 C CA . LEU AAA 1 8 CA . LEU 8 -6.666 16.636 10.357 1.000 11.446 . 8 LEU AAA CA . 1 ATOM 127 H HA . LEU AAA 1 8 HA . LEU 8 -6.611 15.768 10.819 1.000 11.443 . 8 LEU AAA HA c 1 ATOM 128 C CB . LEU AAA 1 8 CB . LEU 8 -5.376 17.414 10.569 1.000 11.580 . 8 LEU AAA CB . 1 ATOM 129 H HB3 . LEU AAA 1 8 HB3 . LEU 8 -5.451 18.269 10.099 1.000 11.784 . 8 LEU AAA HB3 c 1 ATOM 130 H HB2 . LEU AAA 1 8 HB2 . LEU 8 -4.643 16.915 10.159 1.000 11.791 . 8 LEU AAA HB2 c 1 ATOM 131 C CG . LEU AAA 1 8 CG . LEU 8 -5.017 17.692 12.026 1.000 12.622 . 8 LEU AAA CG . 1 ATOM 132 H HG . LEU AAA 1 8 HG . LEU 8 -5.729 18.249 12.427 1.000 12.075 . 8 LEU AAA HG c 1 ATOM 133 C CD1 . LEU AAA 1 8 CD1 . LEU 8 -4.879 16.409 12.853 1.000 12.022 . 8 LEU AAA CD1 . 1 ATOM 134 H HD11 . LEU AAA 1 8 HD11 . LEU 8 -5.752 15.990 12.953 1.000 12.200 . 8 LEU AAA HD11 c 1 ATOM 135 H HD12 . LEU AAA 1 8 HD12 . LEU 8 -4.522 16.627 13.732 1.000 12.202 . 8 LEU AAA HD12 c 1 ATOM 136 H HD13 . LEU AAA 1 8 HD13 . LEU 8 -4.274 15.795 12.400 1.000 12.202 . 8 LEU AAA HD13 c 1 ATOM 137 C CD2 . LEU AAA 1 8 CD2 . LEU 8 -3.701 18.472 12.087 1.000 11.458 . 8 LEU AAA CD2 . 1 ATOM 138 H HD21 . LEU AAA 1 8 HD21 . LEU 8 -2.994 17.949 11.670 1.000 11.804 . 8 LEU AAA HD21 c 1 ATOM 139 H HD22 . LEU AAA 1 8 HD22 . LEU 8 -3.470 18.646 13.016 1.000 11.805 . 8 LEU AAA HD22 c 1 ATOM 140 H HD23 . LEU AAA 1 8 HD23 . LEU 8 -3.801 19.316 11.614 1.000 11.804 . 8 LEU AAA HD23 c 1 ATOM 141 C C . LEU AAA 1 8 C . LEU 8 -7.797 17.445 10.958 1.000 10.712 . 8 LEU AAA C . 1 ATOM 142 O O . LEU AAA 1 8 O . LEU 8 -8.210 17.146 12.103 1.000 12.096 . 8 LEU AAA O . 1 ATOM 144 N N . ALA AAA 1 9 N . ALA 9 -8.330 18.416 10.218 1.000 12.756 . 9 ALA AAA N . 1 ATOM 145 H H . ALA AAA 1 9 H . ALA 9 -8.066 18.646 9.376 1.000 11.862 . 9 ALA AAA H c 1 ATOM 146 C CA . ALA AAA 1 9 CA . ALA 9 -9.436 19.242 10.744 1.000 11.157 . 9 ALA AAA CA . 1 ATOM 147 H HA . ALA AAA 1 9 HA . ALA 9 -9.128 19.691 11.566 1.000 11.637 . 9 ALA AAA HA c 1 ATOM 148 C CB . ALA AAA 1 9 CB . ALA 9 -9.839 20.304 9.722 1.000 11.549 . 9 ALA AAA CB . 1 ATOM 149 H HB3 . ALA AAA 1 9 HB3 . ALA 9 -10.123 19.873 8.899 1.000 11.427 . 9 ALA AAA HB3 c 1 ATOM 150 H HB2 . ALA AAA 1 9 HB2 . ALA 9 -9.079 20.882 9.538 1.000 11.427 . 9 ALA AAA HB2 c 1 ATOM 151 H HB1 . ALA AAA 1 9 HB1 . ALA 9 -10.570 20.836 10.077 1.000 11.427 . 9 ALA AAA HB1 c 1 ATOM 152 C C . ALA AAA 1 9 C . ALA 9 -10.619 18.354 11.093 1.000 11.760 . 9 ALA AAA C . 1 ATOM 153 O O . ALA AAA 1 9 O . ALA 9 -11.258 18.529 12.130 1.000 11.377 . 9 ALA AAA O . 1 ATOM 155 N N . ALA AAA 1 10 N . ALA 10 -10.945 17.423 10.196 1.000 12.119 . 10 ALA AAA N . 1 ATOM 156 H H . ALA AAA 1 10 H . ALA 10 -10.514 17.289 9.404 1.000 12.077 . 10 ALA AAA H c 1 ATOM 157 C CA . ALA AAA 1 10 CA . ALA 10 -12.071 16.512 10.408 1.000 12.305 . 10 ALA AAA CA . 1 ATOM 158 H HA . ALA AAA 1 10 HA . ALA 10 -12.880 17.049 10.580 1.000 12.112 . 10 ALA AAA HA c 1 ATOM 159 C CB . ALA AAA 1 10 CB . ALA 10 -12.285 15.689 9.142 1.000 11.761 . 10 ALA AAA CB . 1 ATOM 160 H HB3 . ALA AAA 1 10 HB3 . ALA 10 -11.486 15.169 8.953 1.000 11.926 . 10 ALA AAA HB3 c 1 ATOM 161 H HB2 . ALA AAA 1 10 HB2 . ALA 10 -12.469 16.283 8.395 1.000 11.926 . 10 ALA AAA HB2 c 1 ATOM 162 H HB1 . ALA AAA 1 10 HB1 . ALA 10 -13.039 15.088 9.269 1.000 11.926 . 10 ALA AAA HB1 c 1 ATOM 163 C C . ALA AAA 1 10 C . ALA 10 -11.791 15.647 11.639 1.000 11.928 . 10 ALA AAA C . 1 ATOM 164 O O . ALA AAA 1 10 O . ALA 10 -12.714 15.418 12.434 1.000 11.970 . 10 ALA AAA O . 1 ATOM 166 N N . ALA AAA 1 11 N . ALA 11 -10.577 15.142 11.811 1.000 12.227 . 11 ALA AAA N . 1 ATOM 167 H H . ALA AAA 1 11 H . ALA 11 -9.869 15.290 11.257 1.000 12.190 . 11 ALA AAA H c 1 ATOM 168 C CA . ALA AAA 1 11 CA . ALA 11 -10.251 14.253 12.957 1.000 12.369 . 11 ALA AAA CA . 1 ATOM 169 H HA . ALA AAA 1 11 HA . ALA 11 -10.905 13.517 12.985 1.000 12.364 . 11 ALA AAA HA c 1 ATOM 170 C CB . ALA AAA 1 11 CB . ALA 11 -8.848 13.671 12.802 1.000 12.556 . 11 ALA AAA CB . 1 ATOM 171 H HB3 . ALA AAA 1 11 HB3 . ALA 11 -8.199 14.393 12.761 1.000 12.501 . 11 ALA AAA HB3 c 1 ATOM 172 H HB2 . ALA AAA 1 11 HB2 . ALA 11 -8.801 13.149 11.983 1.000 12.510 . 11 ALA AAA HB2 c 1 ATOM 173 H HB1 . ALA AAA 1 11 HB1 . ALA 11 -8.647 13.099 13.561 1.000 12.501 . 11 ALA AAA HB1 c 1 ATOM 174 C C . ALA AAA 1 11 C . ALA 11 -10.370 15.069 14.247 1.000 12.245 . 11 ALA AAA C . 1 ATOM 175 O O . ALA AAA 1 11 O . ALA 11 -10.918 14.560 15.249 1.000 12.605 . 11 ALA AAA O . 1 ATOM 177 N N . MET AAA 1 12 N . MET 12 -9.862 16.314 14.249 1.000 12.129 . 12 MET AAA N . 1 ATOM 178 H H . MET AAA 1 12 H . MET 12 -9.472 16.706 13.524 1.000 12.310 . 12 MET AAA H c 1 ATOM 179 C CA . MET AAA 1 12 CA . MET 12 -9.899 17.137 15.471 1.000 12.772 . 12 MET AAA CA . 1 ATOM 180 H HA . MET AAA 1 12 HA . MET 12 -9.519 16.614 16.214 1.000 12.766 . 12 MET AAA HA c 1 ATOM 181 C CB . MET AAA 1 12 CB . MET 12 -9.097 18.413 15.278 1.000 13.493 . 12 MET AAA CB . 1 ATOM 182 H HB3 . MET AAA 1 12 HB3 . MET 12 -9.285 19.018 16.024 1.000 13.214 . 12 MET AAA HB3 c 1 ATOM 183 H HB2 . MET AAA 1 12 HB2 . MET 12 -9.396 18.851 14.457 1.000 13.207 . 12 MET AAA HB2 c 1 ATOM 184 C CG . MET AAA 1 12 CG . MET 12 -7.583 18.181 15.196 1.000 13.057 . 12 MET AAA CG . 1 ATOM 185 H HG3 . MET AAA 1 12 HG3 . MET 12 -7.376 17.556 14.469 1.000 13.084 . 12 MET AAA HG3 c 1 ATOM 186 H HG2 . MET AAA 1 12 HG2 . MET 12 -7.255 17.802 16.039 1.000 13.085 . 12 MET AAA HG2 c 1 ATOM 187 S SD . MET AAA 1 12 SD . MET 12 -6.776 19.756 14.889 1.000 12.755 . 12 MET AAA SD . 1 ATOM 188 C CE . MET AAA 1 12 CE . MET 12 -5.146 19.474 15.588 1.000 14.204 . 12 MET AAA CE . 1 ATOM 189 H HE3 . MET AAA 1 12 HE3 . MET 12 -4.727 18.731 15.135 1.000 13.739 . 12 MET AAA HE3 c 1 ATOM 190 H HE2 . MET AAA 1 12 HE2 . MET 12 -5.230 19.272 16.527 1.000 13.739 . 12 MET AAA HE2 c 1 ATOM 191 H HE1 . MET AAA 1 12 HE1 . MET 12 -4.607 20.266 15.475 1.000 13.731 . 12 MET AAA HE1 c 1 ATOM 192 C C . MET AAA 1 12 C . MET 12 -11.341 17.508 15.812 1.000 12.708 . 12 MET AAA C . 1 ATOM 193 O O . MET AAA 1 12 O . MET 12 -11.696 17.507 17.009 1.000 13.023 . 12 MET AAA O . 1 ATOM 195 N N . LYS AAA 1 13 N . LYS 13 -12.167 17.768 14.803 1.000 13.049 . 13 LYS AAA N . 1 ATOM 196 H H . LYS AAA 1 13 H . LYS 13 -11.910 17.752 13.929 1.000 13.154 . 13 LYS AAA H c 1 ATOM 197 C CA . LYS AAA 1 13 CA . LYS 13 -13.599 18.124 15.023 1.000 13.839 . 13 LYS AAA CA . 1 ATOM 198 H HA . LYS AAA 1 13 HA . LYS 13 -13.643 18.861 15.672 1.000 13.923 . 13 LYS AAA HA c 1 ATOM 199 C CB . LYS AAA 1 13 CB . LYS 13 -14.230 18.571 13.714 1.000 14.616 . 13 LYS AAA CB . 1 ATOM 200 H HB3 . LYS AAA 1 13 HB3 . LYS 13 -14.105 17.866 13.045 1.000 14.731 . 13 LYS AAA HB3 c 1 ATOM 201 H HB2 . LYS AAA 1 13 HB2 . LYS 13 -13.769 19.376 13.398 1.000 14.722 . 13 LYS AAA HB2 c 1 ATOM 202 C CG . LYS AAA 1 13 CG . LYS 13 -15.709 18.869 13.842 1.000 15.987 . 13 LYS AAA CG . 1 ATOM 203 H HG3 . LYS AAA 1 13 HG3 . LYS 13 -15.859 19.397 14.654 1.000 15.745 . 13 LYS AAA HG3 c 1 ATOM 204 H HG2 . LYS AAA 1 13 HG2 . LYS 13 -16.198 18.024 13.937 1.000 15.745 . 13 LYS AAA HG2 c 1 ATOM 205 C CD . LYS AAA 1 13 CD . LYS 13 -16.254 19.616 12.664 1.000 16.403 . 13 LYS AAA CD . 1 ATOM 206 H HD3 . LYS AAA 1 13 HD3 . LYS 13 -16.173 19.063 11.857 1.000 16.766 . 13 LYS AAA HD3 c 1 ATOM 207 H HD2 . LYS AAA 1 13 HD2 . LYS 13 -15.741 20.440 12.531 1.000 16.780 . 13 LYS AAA HD2 c 1 ATOM 208 C CE . LYS AAA 1 13 CE . LYS 13 -17.714 19.958 12.900 1.000 18.452 . 13 LYS AAA CE . 1 ATOM 209 H HE3 . LYS AAA 1 13 HE3 . LYS 13 -17.793 20.497 13.710 1.000 18.247 . 13 LYS AAA HE3 c 1 ATOM 210 H HE2 . LYS AAA 1 13 HE2 . LYS 13 -18.220 19.135 13.039 1.000 18.247 . 13 LYS AAA HE2 c 1 ATOM 211 N NZ . LYS AAA 1 13 NZ . LYS 13 -18.314 20.700 11.777 1.000 19.793 . 13 LYS AAA NZ . 1 ATOM 212 H HZ1 . LYS AAA 1 13 HZ1 . LYS 13 -17.955 21.533 11.732 1.000 19.372 . 13 LYS AAA HZ1 c 1 ATOM 213 H HZ2 . LYS AAA 1 13 HZ2 . LYS 13 -19.211 20.768 11.897 1.000 19.372 . 13 LYS AAA HZ2 c 1 ATOM 214 H HZ3 . LYS AAA 1 13 HZ3 . LYS 13 -18.149 20.265 11.000 1.000 19.377 . 13 LYS AAA HZ3 c 1 ATOM 215 C C . LYS AAA 1 13 C . LYS 13 -14.315 16.910 15.596 1.000 14.331 . 13 LYS AAA C . 1 ATOM 216 O O . LYS AAA 1 13 O . LYS 13 -15.089 17.037 16.562 1.000 13.725 . 13 LYS AAA O . 1 ATOM 218 N N . ARG AAA 1 14 N . ARG 14 -14.062 15.743 15.026 1.000 14.118 . 14 ARG AAA N . 1 ATOM 219 H H . ARG AAA 1 14 H . ARG 14 -13.509 15.644 14.310 1.000 14.227 . 14 ARG AAA H c 1 ATOM 220 C CA . ARG AAA 1 14 CA . ARG 14 -14.680 14.492 15.510 1.000 14.356 . 14 ARG AAA CA . 1 ATOM 221 H HA . ARG AAA 1 14 HA . ARG 14 -15.657 14.614 15.464 1.000 14.587 . 14 ARG AAA HA c 1 ATOM 222 C CB . ARG AAA 1 14 CB . ARG 14 -14.316 13.341 14.580 1.000 15.784 . 14 ARG AAA CB . 1 ATOM 223 H HB3 . ARG AAA 1 14 HB3 . ARG 14 -13.339 13.286 14.526 1.000 15.578 . 14 ARG AAA HB3 c 1 ATOM 224 H HB2 . ARG AAA 1 14 HB2 . ARG 14 -14.654 13.547 13.684 1.000 15.579 . 14 ARG AAA HB2 c 1 ATOM 225 C CG . ARG AAA 1 14 CG . ARG 14 -14.859 11.985 15.009 1.000 16.411 . 14 ARG AAA CG . 1 ATOM 226 H HG3 . ARG AAA 1 14 HG3 . ARG 14 -15.804 12.077 15.256 1.000 16.194 . 14 ARG AAA HG3 c 1 ATOM 227 H HG2 . ARG AAA 1 14 HG2 . ARG 14 -14.368 11.671 15.798 1.000 16.181 . 14 ARG AAA HG2 c 1 ATOM 228 C CD . ARG AAA 1 14 CD . ARG 14 -14.735 10.963 13.916 1.000 16.049 . 14 ARG AAA CD . 1 ATOM 229 H HD3 . ARG AAA 1 14 HD3 . ARG 14 -15.280 11.231 13.146 1.000 16.503 . 14 ARG AAA HD3 c 1 ATOM 230 H HD2 . ARG AAA 1 14 HD2 . ARG 14 -15.053 10.093 14.236 1.000 16.511 . 14 ARG AAA HD2 c 1 ATOM 231 N NE . ARG AAA 1 14 NE . ARG 14 -13.327 10.876 13.522 1.000 17.662 . 14 ARG AAA NE . 1 ATOM 232 H HE . ARG AAA 1 14 HE . ARG 14 -13.081 11.310 12.807 1.000 17.331 . 14 ARG AAA HE c 1 ATOM 233 C CZ . ARG AAA 1 14 CZ . ARG 14 -12.412 10.155 14.141 1.000 17.668 . 14 ARG AAA CZ . 1 ATOM 234 N NH1 . ARG AAA 1 14 NH1 . ARG 14 -12.721 9.458 15.229 1.000 18.372 . 14 ARG AAA NH1 . 1 ATOM 235 H HH11 . ARG AAA 1 14 HH11 . ARG 14 -13.540 9.461 15.541 1.000 18.101 . 14 ARG AAA HH11 c 1 ATOM 236 H HH12 . ARG AAA 1 14 HH12 . ARG 14 -12.100 8.987 15.635 1.000 18.113 . 14 ARG AAA HH12 c 1 ATOM 237 N NH2 . ARG AAA 1 14 NH2 . ARG 14 -11.176 10.151 13.662 1.000 18.660 . 14 ARG AAA NH2 . 1 ATOM 238 H HH21 . ARG AAA 1 14 HH21 . ARG 14 -10.980 10.620 12.942 1.000 18.288 . 14 ARG AAA HH21 c 1 ATOM 239 H HH22 . ARG AAA 1 14 HH22 . ARG 14 -10.550 9.683 14.069 1.000 18.288 . 14 ARG AAA HH22 c 1 ATOM 240 C C . ARG AAA 1 14 C . ARG 14 -14.321 14.230 16.975 1.000 14.437 . 14 ARG AAA C . 1 ATOM 241 O O . ARG AAA 1 14 O . ARG 14 -15.168 13.753 17.739 1.000 15.129 . 14 ARG AAA O . 1 ATOM 243 N N . HIS AAA 1 15 N . HIS 15 -13.100 14.563 17.373 1.000 14.799 . 15 HIS AAA N . 1 ATOM 244 H H . HIS AAA 1 15 H . HIS 15 -12.464 14.943 16.844 1.000 14.872 . 15 HIS AAA H c 1 ATOM 245 C CA . HIS AAA 1 15 CA . HIS 15 -12.656 14.332 18.772 1.000 15.481 . 15 HIS AAA CA . 1 ATOM 246 H HA . HIS AAA 1 15 HA . HIS 15 -13.109 13.518 19.095 1.000 15.150 . 15 HIS AAA HA c 1 ATOM 247 C CB . HIS AAA 1 15 CB . HIS 15 -11.169 14.066 18.802 1.000 15.532 . 15 HIS AAA CB . 1 ATOM 248 H HB3 . HIS AAA 1 15 HB3 . HIS 15 -10.848 14.163 19.726 1.000 15.839 . 15 HIS AAA HB3 c 1 ATOM 249 H HB2 . HIS AAA 1 15 HB2 . HIS 15 -10.713 14.744 18.256 1.000 15.848 . 15 HIS AAA HB2 c 1 ATOM 250 C CG . HIS AAA 1 15 CG . HIS 15 -10.786 12.711 18.307 1.000 17.001 . 15 HIS AAA CG . 1 ATOM 251 N ND1 . HIS AAA 1 15 ND1 . HIS 15 -11.067 11.558 18.981 1.000 17.350 . 15 HIS AAA ND1 . 1 ATOM 252 H HD1 . HIS AAA 1 15 HD1 . HIS 15 -11.477 11.493 19.756 0.000 17.720 . 15 HIS AAA HD1 c 1 ATOM 253 C CE1 . HIS AAA 1 15 CE1 . HIS 15 -10.645 10.530 18.296 1.000 16.304 . 15 HIS AAA CE1 . 1 ATOM 254 H HE1 . HIS AAA 1 15 HE1 . HIS 15 -10.720 9.634 18.566 1.000 16.775 . 15 HIS AAA HE1 c 1 ATOM 255 N NE2 . HIS AAA 1 15 NE2 . HIS 15 -10.058 10.951 17.182 1.000 17.272 . 15 HIS AAA NE2 . 1 ATOM 256 H HE2 . HIS AAA 1 15 HE2 . HIS 15 -9.691 10.456 16.557 0.000 16.990 . 15 HIS AAA HE2 c 1 ATOM 257 C CD2 . HIS AAA 1 15 CD2 . HIS 15 -10.165 12.325 17.161 1.000 16.999 . 15 HIS AAA CD2 . 1 ATOM 258 H HD2 . HIS AAA 1 15 HD2 . HIS 15 -9.832 12.891 16.491 1.000 17.024 . 15 HIS AAA HD2 c 1 ATOM 259 C C . HIS AAA 1 15 C . HIS 15 -13.064 15.486 19.705 1.000 14.400 . 15 HIS AAA C . 1 ATOM 260 O O . HIS AAA 1 15 O . HIS 15 -12.578 15.525 20.853 1.000 14.700 . 15 HIS AAA O . 1 ATOM 262 N N . GLY AAA 1 16 N . GLY 16 -13.911 16.383 19.221 1.000 15.229 . 16 GLY AAA N . 1 ATOM 263 H H . GLY AAA 1 16 H . GLY 16 -14.244 16.346 18.378 1.000 15.015 . 16 GLY AAA H c 1 ATOM 264 C CA . GLY AAA 1 16 CA . GLY 16 -14.386 17.532 20.013 1.000 15.176 . 16 GLY AAA CA . 1 ATOM 265 H HA3 . GLY AAA 1 16 HA3 . GLY 16 -14.745 17.184 20.867 1.000 15.189 . 16 GLY AAA HA3 c 1 ATOM 266 H HA2 . GLY AAA 1 16 HA2 . GLY 16 -15.145 17.936 19.534 1.000 15.212 . 16 GLY AAA HA2 c 1 ATOM 267 C C . GLY AAA 1 16 C . GLY 16 -13.386 18.638 20.333 1.000 15.155 . 16 GLY AAA C . 1 ATOM 268 O O . GLY AAA 1 16 O . GLY 16 -13.558 19.302 21.364 1.000 15.515 . 16 GLY AAA O . 1 ATOM 270 N N . LEU AAA 1 17 N . LEU 17 -12.388 18.884 19.501 1.000 15.517 . 17 LEU AAA N . 1 ATOM 271 H H . LEU AAA 1 17 H . LEU 17 -12.254 18.415 18.733 1.000 15.245 . 17 LEU AAA H c 1 ATOM 272 C CA . LEU AAA 1 17 CA . LEU 17 -11.403 19.976 19.747 1.000 14.746 . 17 LEU AAA CA . 1 ATOM 273 H HA . LEU AAA 1 17 HA . LEU 17 -11.261 20.061 20.714 1.000 14.921 . 17 LEU AAA HA c 1 ATOM 274 C CB . LEU AAA 1 17 CB . LEU 17 -10.076 19.686 19.043 1.000 14.852 . 17 LEU AAA CB . 1 ATOM 275 H HB3 . LEU AAA 1 17 HB3 . LEU 17 -9.855 20.461 18.488 1.000 14.803 . 17 LEU AAA HB3 c 1 ATOM 276 H HB2 . LEU AAA 1 17 HB2 . LEU 17 -10.212 18.931 18.438 1.000 14.805 . 17 LEU AAA HB2 c 1 ATOM 277 C CG . LEU AAA 1 17 CG . LEU 17 -8.865 19.371 19.917 1.000 14.764 . 17 LEU AAA CG . 1 ATOM 278 H HG . LEU AAA 1 17 HG . LEU 17 -8.891 18.415 20.161 1.000 14.569 . 17 LEU AAA HG c 1 ATOM 279 C CD1 . LEU AAA 1 17 CD1 . LEU 17 -7.612 19.629 19.066 1.000 14.058 . 17 LEU AAA CD1 . 1 ATOM 280 H HD11 . LEU AAA 1 17 HD11 . LEU 17 -7.611 19.030 18.299 1.000 14.268 . 17 LEU AAA HD11 c 1 ATOM 281 H HD12 . LEU AAA 1 17 HD12 . LEU 17 -6.816 19.469 19.602 1.000 14.268 . 17 LEU AAA HD12 c 1 ATOM 282 H HD13 . LEU AAA 1 17 HD13 . LEU 17 -7.612 20.550 18.756 1.000 14.255 . 17 LEU AAA HD13 c 1 ATOM 283 C CD2 . LEU AAA 1 17 CD2 . LEU 17 -8.866 20.196 21.176 1.000 14.416 . 17 LEU AAA CD2 . 1 ATOM 284 H HD21 . LEU AAA 1 17 HD21 . LEU 17 -9.162 21.103 20.973 1.000 14.515 . 17 LEU AAA HD21 c 1 ATOM 285 H HD22 . LEU AAA 1 17 HD22 . LEU 17 -7.964 20.225 21.545 1.000 14.520 . 17 LEU AAA HD22 c 1 ATOM 286 H HD23 . LEU AAA 1 17 HD23 . LEU 17 -9.468 19.795 21.829 1.000 14.522 . 17 LEU AAA HD23 c 1 ATOM 287 C C . LEU AAA 1 17 C . LEU 17 -11.938 21.305 19.203 1.000 14.803 . 17 LEU AAA C . 1 ATOM 288 O O . LEU AAA 1 17 O . LEU 17 -11.514 22.326 19.680 1.000 15.389 . 17 LEU AAA O . 1 ATOM 290 N N . ASP AAA 1 18 N . ASP 18 -12.806 21.280 18.198 1.000 16.007 . 18 ASP AAA N . 1 ATOM 291 H H . ASP AAA 1 18 H . ASP 18 -13.086 20.510 17.802 1.000 15.515 . 18 ASP AAA H c 1 ATOM 292 C CA . ASP AAA 1 18 CA . ASP 18 -13.363 22.501 17.620 1.000 15.175 . 18 ASP AAA CA . 1 ATOM 293 H HA . ASP AAA 1 18 HA . ASP 18 -12.609 23.067 17.333 1.000 15.249 . 18 ASP AAA HA c 1 ATOM 294 C CB . ASP AAA 1 18 CB . ASP 18 -14.198 22.181 16.382 1.000 15.136 . 18 ASP AAA CB . 1 ATOM 295 H HB3 . ASP AAA 1 18 HB3 . ASP 18 -13.619 21.796 15.694 1.000 14.957 . 18 ASP AAA HB3 c 1 ATOM 296 H HB2 . ASP AAA 1 18 HB2 . ASP 18 -14.578 23.011 16.033 1.000 14.982 . 18 ASP AAA HB2 c 1 ATOM 297 C CG . ASP AAA 1 18 CG . ASP 18 -15.326 21.210 16.655 1.000 14.397 . 18 ASP AAA CG . 1 ATOM 298 O OD1 . ASP AAA 1 18 OD1 . ASP 18 -15.062 20.119 17.255 1.000 15.019 . 18 ASP AAA OD1 . 1 ATOM 299 O OD2 . ASP AAA 1 18 OD2 . ASP 18 -16.476 21.544 16.272 1.000 17.043 . 18 ASP AAA OD2 . 1 ATOM 300 C C . ASP AAA 1 18 C . ASP 18 -14.172 23.274 18.661 1.000 14.825 . 18 ASP AAA C . 1 ATOM 301 O O . ASP AAA 1 18 O . ASP 18 -15.124 22.732 19.242 1.000 13.401 . 18 ASP AAA O . 1 ATOM 303 N N . ASN AAA 1 19 N . ASN 19 -13.757 24.497 18.907 1.000 13.938 . 19 ASN AAA N . 1 ATOM 304 H H . ASN AAA 1 19 H . ASN 19 -13.058 24.876 18.463 1.000 14.323 . 19 ASN AAA H c 1 ATOM 305 C CA . ASN AAA 1 19 CA . ASN 19 -14.369 25.394 19.920 1.000 14.691 . 19 ASN AAA CA . 1 ATOM 306 H HA . ASN AAA 1 19 HA . ASN 19 -13.992 26.292 19.785 1.000 14.304 . 19 ASN AAA HA c 1 ATOM 307 C CB . ASN AAA 1 19 CB . ASN 19 -15.886 25.496 19.681 1.000 15.203 . 19 ASN AAA CB . 1 ATOM 308 H HB3 . ASN AAA 1 19 HB3 . ASN 19 -16.247 26.211 20.244 1.000 15.392 . 19 ASN AAA HB3 c 1 ATOM 309 H HB2 . ASN AAA 1 19 HB2 . ASN 19 -16.311 24.658 19.952 1.000 15.379 . 19 ASN AAA HB2 c 1 ATOM 310 C CG . ASN AAA 1 19 CG . ASN 19 -16.237 25.788 18.233 1.000 16.503 . 19 ASN AAA CG . 1 ATOM 311 O OD1 . ASN AAA 1 19 OD1 . ASN 19 -15.640 26.727 17.694 1.000 19.507 . 19 ASN AAA OD1 . 1 ATOM 312 N ND2 . ASN AAA 1 19 ND2 . ASN 19 -17.204 25.057 17.673 1.000 18.582 . 19 ASN AAA ND2 . 1 ATOM 313 H HD21 . ASN AAA 1 19 HD21 . ASN 19 -17.439 25.190 16.833 0.000 18.440 . 19 ASN AAA HD21 c 1 ATOM 314 H HD22 . ASN AAA 1 19 HD22 . ASN 19 -17.611 24.419 18.144 0.000 18.440 . 19 ASN AAA HD22 c 1 ATOM 315 C C . ASN AAA 1 19 C . ASN 19 -14.065 24.971 21.351 1.000 12.872 . 19 ASN AAA C . 1 ATOM 316 O O . ASN AAA 1 19 O . ASN 19 -14.658 25.502 22.282 1.000 13.044 . 19 ASN AAA O . 1 ATOM 318 N N . TYR AAA 1 20 N . TYR 20 -13.177 24.011 21.540 1.000 13.214 . 20 TYR AAA N . 1 ATOM 319 H H . TYR AAA 1 20 H . TYR 20 -12.709 23.587 20.885 1.000 13.300 . 20 TYR AAA H c 1 ATOM 320 C CA . TYR AAA 1 20 CA . TYR 20 -12.834 23.562 22.906 1.000 13.924 . 20 TYR AAA CA . 1 ATOM 321 H HA . TYR AAA 1 20 HA . TYR 20 -13.668 23.325 23.386 1.000 13.415 . 20 TYR AAA HA c 1 ATOM 322 C CB . TYR AAA 1 20 CB . TYR 20 -11.920 22.350 22.877 1.000 12.488 . 20 TYR AAA CB . 1 ATOM 323 H HB3 . TYR AAA 1 20 HB3 . TYR 20 -11.036 22.625 22.554 1.000 13.021 . 20 TYR AAA HB3 c 1 ATOM 324 H HB2 . TYR AAA 1 20 HB2 . TYR 20 -12.285 21.691 22.250 1.000 13.021 . 20 TYR AAA HB2 c 1 ATOM 325 C CG . TYR AAA 1 20 CG . TYR 20 -11.780 21.720 24.238 1.000 13.374 . 20 TYR AAA CG . 1 ATOM 326 C CD1 . TYR AAA 1 20 CD1 . TYR 20 -12.740 20.840 24.739 1.000 14.071 . 20 TYR AAA CD1 . 1 ATOM 327 H HD1 . TYR AAA 1 20 HD1 . TYR 20 -13.452 20.577 24.179 1.000 13.930 . 20 TYR AAA HD1 c 1 ATOM 328 C CE1 . TYR AAA 1 20 CE1 . TYR 20 -12.648 20.283 26.008 1.000 14.506 . 20 TYR AAA CE1 . 1 ATOM 329 H HE1 . TYR AAA 1 20 HE1 . TYR 20 -13.309 19.687 26.320 1.000 13.932 . 20 TYR AAA HE1 c 1 ATOM 330 C CZ . TYR AAA 1 20 CZ . TYR 20 -11.604 20.669 26.831 1.000 12.862 . 20 TYR AAA CZ . 1 ATOM 331 O OH . TYR AAA 1 20 OH . TYR 20 -11.546 20.169 28.107 1.000 13.589 . 20 TYR AAA OH . 1 ATOM 332 H HH . TYR AAA 1 20 HH . TYR 20 -11.485 19.307 28.063 0.000 13.550 . 20 TYR AAA HH c 1 ATOM 333 C CE2 . TYR AAA 1 20 CE2 . TYR 20 -10.680 21.600 26.372 1.000 13.329 . 20 TYR AAA CE2 . 1 ATOM 334 H HE2 . TYR AAA 1 20 HE2 . TYR 20 -9.953 21.837 26.924 1.000 13.087 . 20 TYR AAA HE2 c 1 ATOM 335 C CD2 . TYR AAA 1 20 CD2 . TYR 20 -10.730 22.078 25.063 1.000 12.599 . 20 TYR AAA CD2 . 1 ATOM 336 H HD2 . TYR AAA 1 20 HD2 . TYR 20 -10.106 22.723 24.776 1.000 12.993 . 20 TYR AAA HD2 c 1 ATOM 337 C C . TYR AAA 1 20 C . TYR 20 -12.158 24.722 23.632 1.000 13.452 . 20 TYR AAA C . 1 ATOM 338 O O . TYR AAA 1 20 O . TYR 20 -11.215 25.303 23.077 1.000 11.774 . 20 TYR AAA O . 1 ATOM 340 N N . ARG AAA 1 21 N . ARG 21 -12.633 25.038 24.833 1.000 14.103 . 21 ARG AAA N . 1 ATOM 341 H H . ARG AAA 1 21 H . ARG 21 -13.286 24.557 25.248 1.000 13.697 . 21 ARG AAA H c 1 ATOM 342 C CA . ARG AAA 1 21 CA . ARG 21 -12.146 26.204 25.624 1.000 13.059 . 21 ARG AAA CA . 1 ATOM 343 H HA . ARG AAA 1 21 HA . ARG 21 -12.734 26.316 26.405 1.000 13.269 . 21 ARG AAA HA c 1 ATOM 344 C CB . ARG AAA 1 21 CB . ARG 21 -10.713 25.959 26.109 1.000 13.432 . 21 ARG AAA CB . 1 ATOM 345 H HB3 . ARG AAA 1 21 HB3 . ARG 21 -10.331 26.813 26.398 1.000 13.500 . 21 ARG AAA HB3 c 1 ATOM 346 H HB2 . ARG AAA 1 21 HB2 . ARG 21 -10.179 25.635 25.355 1.000 13.492 . 21 ARG AAA HB2 c 1 ATOM 347 C CG . ARG AAA 1 21 CG . ARG 21 -10.596 24.959 27.258 1.000 14.088 . 21 ARG AAA CG . 1 ATOM 348 H HG3 . ARG AAA 1 21 HG3 . ARG 21 -9.655 24.719 27.385 1.000 14.015 . 21 ARG AAA HG3 c 1 ATOM 349 H HG2 . ARG AAA 1 21 HG2 . ARG 21 -11.090 24.144 27.030 1.000 14.016 . 21 ARG AAA HG2 c 1 ATOM 350 C CD . ARG AAA 1 21 CD . ARG 21 -11.144 25.522 28.565 1.000 14.479 . 21 ARG AAA CD . 1 ATOM 351 H HD3 . ARG AAA 1 21 HD3 . ARG 21 -11.136 24.806 29.232 1.000 14.919 . 21 ARG AAA HD3 c 1 ATOM 352 H HD2 . ARG AAA 1 21 HD2 . ARG 21 -12.079 25.784 28.430 1.000 14.895 . 21 ARG AAA HD2 c 1 ATOM 353 N NE . ARG AAA 1 21 NE . ARG 21 -10.417 26.653 29.106 0.500 16.666 . 21 ARG AAA NE . 1 ATOM 354 H HE . ARG AAA 1 21 HE . ARG 21 -9.938 27.127 28.554 0.500 16.270 . 21 ARG AAA HE c 1 ATOM 355 C CZ . ARG AAA 1 21 CZ . ARG 21 -10.424 27.035 30.395 0.500 17.064 . 21 ARG AAA CZ . 1 ATOM 356 N NH1 . ARG AAA 1 21 NH1 . ARG 21 -11.124 26.375 31.303 0.500 17.628 . 21 ARG AAA NH1 . 1 ATOM 357 H HH11 . ARG AAA 1 21 HH11 . ARG 21 -11.599 25.674 31.075 0.500 17.373 . 21 ARG AAA HH11 c 1 ATOM 358 H HH12 . ARG AAA 1 21 HH12 . ARG 21 -11.113 26.645 32.140 0.500 17.380 . 21 ARG AAA HH12 c 1 ATOM 359 N NH2 . ARG AAA 1 21 NH2 . ARG 21 -9.721 28.089 30.762 0.500 17.568 . 21 ARG AAA NH2 . 1 ATOM 360 H HH21 . ARG AAA 1 21 HH21 . ARG 21 -9.252 28.534 30.163 0.500 17.346 . 21 ARG AAA HH21 c 1 ATOM 361 H HH22 . ARG AAA 1 21 HH22 . ARG 21 -9.720 28.344 31.605 0.500 17.346 . 21 ARG AAA HH22 c 1 ATOM 362 C C . ARG AAA 1 21 C . ARG 21 -12.217 27.468 24.776 1.000 12.751 . 21 ARG AAA C . 1 ATOM 363 O O . ARG AAA 1 21 O . ARG 21 -11.405 28.379 24.980 1.000 12.166 . 21 ARG AAA O . 1 ATOM 365 N N . GLY AAA 1 22 N . GLY 22 -13.164 27.552 23.849 1.000 12.354 . 22 GLY AAA N . 1 ATOM 366 H H . GLY AAA 1 22 H . GLY 22 -13.750 26.880 23.669 1.000 12.230 . 22 GLY AAA H c 1 ATOM 367 C CA . GLY AAA 1 22 CA . GLY 22 -13.359 28.770 23.066 1.000 11.439 . 22 GLY AAA CA . 1 ATOM 368 H HA3 . GLY AAA 1 22 HA3 . GLY 22 -13.204 29.551 23.653 1.000 11.684 . 22 GLY AAA HA3 c 1 ATOM 369 H HA2 . GLY AAA 1 22 HA2 . GLY 22 -14.305 28.805 22.776 1.000 11.701 . 22 GLY AAA HA2 c 1 ATOM 370 C C . GLY AAA 1 22 C . GLY 22 -12.472 28.892 21.846 1.000 11.561 . 22 GLY AAA C . 1 ATOM 371 O O . GLY AAA 1 22 O . GLY 22 -12.545 29.915 21.117 1.000 11.455 . 22 GLY AAA O . 1 ATOM 373 N N . TYR AAA 1 23 N . TYR 23 -11.605 27.922 21.563 1.000 11.831 . 23 TYR AAA N . 1 ATOM 374 H H . TYR AAA 1 23 H . TYR 23 -11.530 27.148 22.036 1.000 11.531 . 23 TYR AAA H c 1 ATOM 375 C CA . TYR AAA 1 23 CA . TYR 23 -10.663 27.992 20.413 1.000 10.860 . 23 TYR AAA CA . 1 ATOM 376 H HA . TYR AAA 1 23 HA . TYR 23 -10.528 28.944 20.174 1.000 11.033 . 23 TYR AAA HA c 1 ATOM 377 C CB . TYR AAA 1 23 CB . TYR 23 -9.328 27.408 20.788 1.000 10.530 . 23 TYR AAA CB . 1 ATOM 378 H HB3 . TYR AAA 1 23 HB3 . TYR 23 -8.784 27.309 19.979 1.000 10.677 . 23 TYR AAA HB3 c 1 ATOM 379 H HB2 . TYR AAA 1 23 HB2 . TYR 23 -9.466 26.519 21.177 1.000 10.678 . 23 TYR AAA HB2 c 1 ATOM 380 C CG . TYR AAA 1 23 CG . TYR 23 -8.599 28.276 21.774 1.000 10.823 . 23 TYR AAA CG . 1 ATOM 381 C CD1 . TYR AAA 1 23 CD1 . TYR 23 -7.826 29.351 21.347 1.000 10.307 . 23 TYR AAA CD1 . 1 ATOM 382 H HD1 . TYR AAA 1 23 HD1 . TYR 23 -7.780 29.547 20.426 1.000 10.269 . 23 TYR AAA HD1 c 1 ATOM 383 C CE1 . TYR AAA 1 23 CE1 . TYR 23 -7.163 30.160 22.232 1.000 9.622 . 23 TYR AAA CE1 . 1 ATOM 384 H HE1 . TYR AAA 1 23 HE1 . TYR 23 -6.649 30.885 21.915 1.000 9.983 . 23 TYR AAA HE1 c 1 ATOM 385 C CZ . TYR AAA 1 23 CZ . TYR 23 -7.211 29.890 23.593 1.000 10.313 . 23 TYR AAA CZ . 1 ATOM 386 O OH . TYR AAA 1 23 OH . TYR 23 -6.523 30.734 24.431 1.000 9.680 . 23 TYR AAA OH . 1 ATOM 387 H HH . TYR AAA 1 23 HH . TYR 23 -6.838 31.537 24.351 0.000 9.380 . 23 TYR AAA HH c 1 ATOM 388 C CE2 . TYR AAA 1 23 CE2 . TYR 23 -7.973 28.822 24.043 1.000 10.589 . 23 TYR AAA CE2 . 1 ATOM 389 H HE2 . TYR AAA 1 23 HE2 . TYR 23 -8.018 28.635 24.966 1.000 10.551 . 23 TYR AAA HE2 c 1 ATOM 390 C CD2 . TYR AAA 1 23 CD2 . TYR 23 -8.647 28.013 23.139 1.000 10.825 . 23 TYR AAA CD2 . 1 ATOM 391 H HD2 . TYR AAA 1 23 HD2 . TYR 23 -9.159 27.287 23.456 1.000 10.718 . 23 TYR AAA HD2 c 1 ATOM 392 C C . TYR AAA 1 23 C . TYR 23 -11.271 27.276 19.210 1.000 11.099 . 23 TYR AAA C . 1 ATOM 393 O O . TYR AAA 1 23 O . TYR 23 -11.440 26.087 19.170 1.000 11.160 . 23 TYR AAA O . 1 ATOM 395 N N . SER AAA 1 24 N . SER 24 -11.598 28.057 18.202 1.000 10.775 . 24 SER AAA N . 1 ATOM 396 H H . SER AAA 1 24 H . SER 24 -11.516 28.965 18.210 1.000 10.962 . 24 SER AAA H c 1 ATOM 397 C CA . SER AAA 1 24 CA . SER 24 -12.145 27.541 16.929 1.000 11.233 . 24 SER AAA CA . 1 ATOM 398 H HA . SER AAA 1 24 HA . SER 24 -13.001 27.082 17.144 1.000 11.339 . 24 SER AAA HA c 1 ATOM 399 C CB . SER AAA 1 24 CB . SER 24 -12.464 28.682 15.978 1.000 12.275 . 24 SER AAA CB . 1 ATOM 400 H HB3 . SER AAA 1 24 HB3 . SER 24 -13.056 29.326 16.429 1.000 11.651 . 24 SER AAA HB3 c 1 ATOM 401 H HB2 . SER AAA 1 24 HB2 . SER 24 -12.941 28.327 15.193 1.000 11.652 . 24 SER AAA HB2 c 1 ATOM 402 O OG . SER AAA 1 24 OG . SER 24 -11.276 29.349 15.548 1.000 10.752 . 24 SER AAA OG . 1 ATOM 403 H HG . SER AAA 1 24 HG . SER 24 -11.503 29.977 15.013 0.000 10.470 . 24 SER AAA HG c 1 ATOM 404 C C . SER AAA 1 24 C . SER 24 -11.217 26.498 16.293 1.000 11.201 . 24 SER AAA C . 1 ATOM 405 O O . SER AAA 1 24 O . SER 24 -10.002 26.530 16.536 1.000 10.109 . 24 SER AAA O . 1 ATOM 407 N N . LEU AAA 1 25 N . LEU 25 -11.765 25.639 15.448 1.000 10.295 . 25 LEU AAA N . 1 ATOM 408 H H . LEU AAA 1 25 H . LEU 25 -12.651 25.658 15.237 1.000 10.524 . 25 LEU AAA H c 1 ATOM 409 C CA . LEU AAA 1 25 CA . LEU 25 -10.998 24.565 14.756 1.000 10.380 . 25 LEU AAA CA . 1 ATOM 410 H HA . LEU AAA 1 25 HA . LEU 25 -10.689 23.936 15.447 1.000 10.452 . 25 LEU AAA HA c 1 ATOM 411 C CB . LEU AAA 1 25 CB . LEU 25 -11.906 23.824 13.797 1.000 10.699 . 25 LEU AAA CB . 1 ATOM 412 H HB3 . LEU AAA 1 25 HB3 . LEU 25 -12.138 24.436 13.069 1.000 10.539 . 25 LEU AAA HB3 c 1 ATOM 413 H HB2 . LEU AAA 1 25 HB2 . LEU 25 -12.735 23.611 14.270 1.000 10.537 . 25 LEU AAA HB2 c 1 ATOM 414 C CG . LEU AAA 1 25 CG . LEU 25 -11.368 22.530 13.177 1.000 10.345 . 25 LEU AAA CG . 1 ATOM 415 H HG . LEU AAA 1 25 HG . LEU 25 -10.634 22.764 12.557 1.000 10.283 . 25 LEU AAA HG c 1 ATOM 416 C CD1 . LEU AAA 1 25 CD1 . LEU 25 -10.817 21.604 14.235 1.000 10.498 . 25 LEU AAA CD1 . 1 ATOM 417 H HD11 . LEU AAA 1 25 HD11 . LEU 25 -9.970 21.955 14.566 1.000 10.454 . 25 LEU AAA HD11 c 1 ATOM 418 H HD12 . LEU AAA 1 25 HD12 . LEU 25 -10.673 20.721 13.849 1.000 10.459 . 25 LEU AAA HD12 c 1 ATOM 419 H HD13 . LEU AAA 1 25 HD13 . LEU 25 -11.451 21.537 14.972 1.000 10.462 . 25 LEU AAA HD13 c 1 ATOM 420 C CD2 . LEU AAA 1 25 CD2 . LEU 25 -12.482 21.870 12.371 1.000 9.552 . 25 LEU AAA CD2 . 1 ATOM 421 H HD21 . LEU AAA 1 25 HD21 . LEU 25 -13.206 21.613 12.968 1.000 9.807 . 25 LEU AAA HD21 c 1 ATOM 422 H HD22 . LEU AAA 1 25 HD22 . LEU 25 -12.135 21.079 11.923 1.000 9.801 . 25 LEU AAA HD22 c 1 ATOM 423 H HD23 . LEU AAA 1 25 HD23 . LEU 25 -12.817 22.498 11.708 1.000 9.819 . 25 LEU AAA HD23 c 1 ATOM 424 C C . LEU AAA 1 25 C . LEU 25 -9.765 25.110 14.036 1.000 10.536 . 25 LEU AAA C . 1 ATOM 425 O O . LEU AAA 1 25 O . LEU 25 -8.723 24.436 14.051 1.000 9.791 . 25 LEU AAA O . 1 ATOM 427 N N . GLY AAA 1 26 N . GLY 26 -9.828 26.291 13.418 1.000 9.873 . 26 GLY AAA N . 1 ATOM 428 H H . GLY AAA 1 26 H . GLY 26 -10.573 26.815 13.426 1.000 10.016 . 26 GLY AAA H c 1 ATOM 429 C CA . GLY AAA 1 26 CA . GLY 26 -8.692 26.835 12.668 1.000 9.830 . 26 GLY AAA CA . 1 ATOM 430 H HA3 . GLY AAA 1 26 HA3 . GLY 26 -8.971 27.677 12.232 1.000 9.840 . 26 GLY AAA HA3 c 1 ATOM 431 H HA2 . GLY AAA 1 26 HA2 . GLY 26 -8.438 26.192 11.959 1.000 9.830 . 26 GLY AAA HA2 c 1 ATOM 432 C C . GLY AAA 1 26 C . GLY 26 -7.492 27.104 13.553 1.000 9.776 . 26 GLY AAA C . 1 ATOM 433 O O . GLY AAA 1 26 O . GLY 26 -6.348 27.004 13.109 1.000 9.670 . 26 GLY AAA O . 1 ATOM 435 N N . ASN AAA 1 27 N . ASN 27 -7.735 27.417 14.818 1.000 10.441 . 27 ASN AAA N . 1 ATOM 436 H H . ASN AAA 1 27 H . ASN 27 -8.576 27.513 15.153 1.000 10.232 . 27 ASN AAA H c 1 ATOM 437 C CA . ASN AAA 1 27 CA . ASN 27 -6.668 27.661 15.791 1.000 10.241 . 27 ASN AAA CA . 1 ATOM 438 H HA . ASN AAA 1 27 HA . ASN 27 -6.070 28.358 15.431 1.000 10.227 . 27 ASN AAA HA c 1 ATOM 439 C CB . ASN AAA 1 27 CB . ASN 27 -7.226 28.162 17.126 1.000 10.012 . 27 ASN AAA CB . 1 ATOM 440 H HB3 . ASN AAA 1 27 HB3 . ASN 27 -6.567 27.992 17.828 1.000 9.944 . 27 ASN AAA HB3 c 1 ATOM 441 H HB2 . ASN AAA 1 27 HB2 . ASN 27 -8.036 27.659 17.345 1.000 9.943 . 27 ASN AAA HB2 c 1 ATOM 442 C CG . ASN AAA 1 27 CG . ASN 27 -7.550 29.643 17.107 1.000 9.498 . 27 ASN AAA CG . 1 ATOM 443 O OD1 . ASN AAA 1 27 OD1 . ASN 27 -6.621 30.459 17.133 1.000 10.447 . 27 ASN AAA OD1 . 1 ATOM 444 N ND2 . ASN AAA 1 27 ND2 . ASN 27 -8.850 30.016 17.091 1.000 8.718 . 27 ASN AAA ND2 . 1 ATOM 445 H HD21 . ASN AAA 1 27 HD21 . ASN 27 -9.055 30.878 17.069 0.000 8.640 . 27 ASN AAA HD21 c 1 ATOM 446 H HD22 . ASN AAA 1 27 HD22 . ASN 27 -9.479 29.407 17.091 0.000 8.640 . 27 ASN AAA HD22 c 1 ATOM 447 C C . ASN AAA 1 27 C . ASN 27 -5.857 26.390 16.022 1.000 10.212 . 27 ASN AAA C . 1 ATOM 448 O O . ASN AAA 1 27 O . ASN 27 -4.625 26.490 16.092 1.000 9.981 . 27 ASN AAA O . 1 ATOM 450 N N . TRP AAA 1 28 N . TRP 28 -6.544 25.258 16.107 1.000 9.618 . 28 TRP AAA N . 1 ATOM 451 H H . TRP AAA 1 28 H . TRP 28 -7.451 25.216 16.029 1.000 9.821 . 28 TRP AAA H c 1 ATOM 452 C CA . TRP AAA 1 28 CA . TRP 28 -5.914 23.962 16.332 1.000 9.888 . 28 TRP AAA CA . 1 ATOM 453 H HA . TRP AAA 1 28 HA . TRP 28 -5.267 24.083 17.067 1.000 9.803 . 28 TRP AAA HA c 1 ATOM 454 C CB . TRP AAA 1 28 CB . TRP 28 -6.938 22.911 16.808 1.000 9.513 . 28 TRP AAA CB . 1 ATOM 455 H HB3 . TRP AAA 1 28 HB3 . TRP 28 -6.477 22.054 16.912 1.000 9.712 . 28 TRP AAA HB3 c 1 ATOM 456 H HB2 . TRP AAA 1 28 HB2 . TRP 28 -7.619 22.805 16.112 1.000 9.709 . 28 TRP AAA HB2 c 1 ATOM 457 C CG . TRP AAA 1 28 CG . TRP 28 -7.600 23.272 18.093 1.000 9.977 . 28 TRP AAA CG . 1 ATOM 458 C CD1 . TRP AAA 1 28 CD1 . TRP 28 -8.838 23.848 18.289 1.000 9.937 . 28 TRP AAA CD1 . 1 ATOM 459 H HD1 . TRP AAA 1 28 HD1 . TRP 28 -9.464 24.041 17.608 1.000 10.273 . 28 TRP AAA HD1 c 1 ATOM 460 N NE1 . TRP AAA 1 28 NE1 . TRP 28 -9.041 24.089 19.628 1.000 11.199 . 28 TRP AAA NE1 . 1 ATOM 461 H HE1 . TRP AAA 1 28 HE1 . TRP 28 -9.763 24.436 19.980 1.000 10.662 . 28 TRP AAA HE1 c 1 ATOM 462 C CE2 . TRP AAA 1 28 CE2 . TRP 28 -7.930 23.705 20.310 1.000 10.301 . 28 TRP AAA CE2 . 1 ATOM 463 C CD2 . TRP AAA 1 28 CD2 . TRP 28 -7.010 23.165 19.387 1.000 10.038 . 28 TRP AAA CD2 . 1 ATOM 464 C CE3 . TRP AAA 1 28 CE3 . TRP 28 -5.754 22.738 19.832 1.000 10.128 . 28 TRP AAA CE3 . 1 ATOM 465 H HE3 . TRP AAA 1 28 HE3 . TRP 28 -5.129 22.381 19.221 1.000 10.343 . 28 TRP AAA HE3 c 1 ATOM 466 C CZ3 . TRP AAA 1 28 CZ3 . TRP 28 -5.486 22.737 21.195 1.000 11.026 . 28 TRP AAA CZ3 . 1 ATOM 467 H HZ3 . TRP AAA 1 28 HZ3 . TRP 28 -4.650 22.438 21.514 1.000 10.863 . 28 TRP AAA HZ3 c 1 ATOM 468 C CH2 . TRP AAA 1 28 CH2 . TRP 28 -6.434 23.257 22.090 1.000 11.525 . 28 TRP AAA CH2 . 1 ATOM 469 H HH2 . TRP AAA 1 28 HH2 . TRP 28 -6.228 23.277 23.007 1.000 11.170 . 28 TRP AAA HH2 c 1 ATOM 470 C CZ2 . TRP AAA 1 28 CZ2 . TRP 28 -7.643 23.760 21.673 1.000 10.979 . 28 TRP AAA CZ2 . 1 ATOM 471 H HZ2 . TRP AAA 1 28 HZ2 . TRP 28 -8.283 24.070 22.290 1.000 10.878 . 28 TRP AAA HZ2 c 1 ATOM 472 C C . TRP AAA 1 28 C . TRP 28 -5.139 23.485 15.110 1.000 10.097 . 28 TRP AAA C . 1 ATOM 473 O O . TRP AAA 1 28 O . TRP 28 -4.094 22.871 15.288 1.000 9.449 . 28 TRP AAA O . 1 ATOM 475 N N . VAL AAA 1 29 N . VAL 29 -5.718 23.702 13.936 1.000 8.813 . 29 VAL AAA N . 1 ATOM 476 H H . VAL AAA 1 29 H . VAL 29 -6.512 24.135 13.831 1.000 9.188 . 29 VAL AAA H c 1 ATOM 477 C CA . VAL AAA 1 29 CA . VAL 29 -5.095 23.244 12.687 1.000 9.178 . 29 VAL AAA CA . 1 ATOM 478 H HA . VAL AAA 1 29 HA . VAL 29 -4.836 22.312 12.801 1.000 9.052 . 29 VAL AAA HA c 1 ATOM 479 C CB . VAL AAA 1 29 CB . VAL 29 -6.048 23.335 11.486 1.000 9.096 . 29 VAL AAA CB . 1 ATOM 480 H HB . VAL AAA 1 29 HB . VAL 29 -6.390 24.262 11.428 1.000 9.108 . 29 VAL AAA HB c 1 ATOM 481 C CG1 . VAL AAA 1 29 CG1 . VAL 29 -5.291 23.009 10.200 1.000 9.263 . 29 VAL AAA CG1 . 1 ATOM 482 H HG11 . VAL AAA 1 29 HG11 . VAL 29 -4.675 23.735 9.989 1.000 9.211 . 29 VAL AAA HG11 c 1 ATOM 483 H HG12 . VAL AAA 1 29 HG12 . VAL 29 -5.926 22.902 9.468 1.000 9.212 . 29 VAL AAA HG12 c 1 ATOM 484 H HG13 . VAL AAA 1 29 HG13 . VAL 29 -4.790 22.181 10.319 1.000 9.212 . 29 VAL AAA HG13 c 1 ATOM 485 C CG2 . VAL AAA 1 29 CG2 . VAL 29 -7.221 22.394 11.662 1.000 8.914 . 29 VAL AAA CG2 . 1 ATOM 486 H HG21 . VAL AAA 1 29 HG21 . VAL 29 -6.895 21.480 11.731 1.000 8.970 . 29 VAL AAA HG21 c 1 ATOM 487 H HG22 . VAL AAA 1 29 HG22 . VAL 29 -7.815 22.469 10.895 1.000 8.970 . 29 VAL AAA HG22 c 1 ATOM 488 H HG23 . VAL AAA 1 29 HG23 . VAL 29 -7.707 22.626 12.471 1.000 8.972 . 29 VAL AAA HG23 c 1 ATOM 489 C C . VAL AAA 1 29 C . VAL 29 -3.818 24.083 12.518 1.000 8.953 . 29 VAL AAA C . 1 ATOM 490 O O . VAL AAA 1 29 O . VAL 29 -2.784 23.555 12.095 1.000 8.872 . 29 VAL AAA O . 1 ATOM 492 N N . CYS AAA 1 30 N . CYS 30 -3.907 25.383 12.737 1.000 9.197 . 30 CYS AAA N . 1 ATOM 493 H H . CYS AAA 1 30 H . CYS 30 -4.665 25.817 12.998 1.000 9.177 . 30 CYS AAA H c 1 ATOM 494 C CA . CYS AAA 1 30 CA . CYS 30 -2.745 26.282 12.557 1.000 9.352 . 30 CYS AAA CA . 1 ATOM 495 H HA . CYS AAA 1 30 HA . CYS 30 -2.411 26.193 11.635 1.000 9.453 . 30 CYS AAA HA c 1 ATOM 496 C CB . CYS AAA 1 30 CB . CYS 30 -3.168 27.744 12.814 1.000 10.318 . 30 CYS AAA CB . 1 ATOM 497 H HB3 . CYS AAA 1 30 HB3 . CYS 30 -3.511 27.813 13.729 1.000 10.179 . 30 CYS AAA HB3 c 1 ATOM 498 H HB2 . CYS AAA 1 30 HB2 . CYS 30 -3.902 27.968 12.208 1.000 10.183 . 30 CYS AAA HB2 c 1 ATOM 499 S SG . CYS AAA 1 30 SG . CYS 30 -1.858 28.997 12.606 1.000 10.732 . 30 CYS AAA SG . 1 ATOM 500 C C . CYS AAA 1 30 C . CYS 30 -1.667 25.864 13.531 1.000 9.132 . 30 CYS AAA C . 1 ATOM 501 O O . CYS AAA 1 30 O . CYS 30 -0.517 25.753 13.145 1.000 8.871 . 30 CYS AAA O . 1 ATOM 503 N N . ALA AAA 1 31 N . ALA 31 -2.012 25.665 14.789 1.000 9.201 . 31 ALA AAA N . 1 ATOM 504 H H . ALA AAA 1 31 H . ALA 31 -2.852 25.778 15.124 1.000 9.263 . 31 ALA AAA H c 1 ATOM 505 C CA . ALA AAA 1 31 CA . ALA 31 -1.027 25.235 15.797 1.000 9.532 . 31 ALA AAA CA . 1 ATOM 506 H HA . ALA AAA 1 31 HA . ALA 31 -0.343 25.938 15.893 1.000 9.514 . 31 ALA AAA HA c 1 ATOM 507 C CB . ALA AAA 1 31 CB . ALA 31 -1.710 25.023 17.129 1.000 9.973 . 31 ALA AAA CB . 1 ATOM 508 H HB3 . ALA AAA 1 31 HB3 . ALA 31 -2.401 24.346 17.036 1.000 9.835 . 31 ALA AAA HB3 c 1 ATOM 509 H HB2 . ALA AAA 1 31 HB2 . ALA 31 -2.113 25.857 17.425 1.000 9.835 . 31 ALA AAA HB2 c 1 ATOM 510 H HB1 . ALA AAA 1 31 HB1 . ALA 31 -1.057 24.729 17.786 1.000 9.835 . 31 ALA AAA HB1 c 1 ATOM 511 C C . ALA AAA 1 31 C . ALA 31 -0.350 23.947 15.346 1.000 9.341 . 31 ALA AAA C . 1 ATOM 512 O O . ALA AAA 1 31 O . ALA 31 0.856 23.849 15.377 1.000 9.751 . 31 ALA AAA O . 1 ATOM 514 N N . ALA AAA 1 32 N . ALA 32 -1.118 22.966 14.905 1.000 9.196 . 32 ALA AAA N . 1 ATOM 515 H H . ALA AAA 1 32 H . ALA 32 -2.027 23.014 14.853 1.000 9.299 . 32 ALA AAA H c 1 ATOM 516 C CA . ALA AAA 1 32 CA . ALA 32 -0.580 21.658 14.446 1.000 9.486 . 32 ALA AAA CA . 1 ATOM 517 H HA . ALA AAA 1 32 HA . ALA 32 -0.066 21.256 15.183 1.000 9.424 . 32 ALA AAA HA c 1 ATOM 518 C CB . ALA AAA 1 32 CB . ALA 32 -1.737 20.747 14.102 1.000 9.517 . 32 ALA AAA CB . 1 ATOM 519 H HB3 . ALA AAA 1 32 HB3 . ALA 32 -2.267 21.147 13.392 1.000 9.507 . 32 ALA AAA HB3 c 1 ATOM 520 H HB2 . ALA AAA 1 32 HB2 . ALA 32 -2.295 20.619 14.888 1.000 9.507 . 32 ALA AAA HB2 c 1 ATOM 521 H HB1 . ALA AAA 1 32 HB1 . ALA 32 -1.397 19.886 13.805 1.000 9.507 . 32 ALA AAA HB1 c 1 ATOM 522 C C . ALA AAA 1 32 C . ALA 32 0.340 21.836 13.261 1.000 9.408 . 32 ALA AAA C . 1 ATOM 523 O O . ALA AAA 1 32 O . ALA 32 1.412 21.194 13.183 1.000 9.488 . 32 ALA AAA O . 1 ATOM 525 N N . LYS AAA 1 33 N . LYS 33 -0.017 22.740 12.345 1.000 10.253 . 33 LYS AAA N . 1 ATOM 526 H H . LYS AAA 1 33 H . LYS 33 -0.787 23.225 12.384 1.000 10.023 . 33 LYS AAA H c 1 ATOM 527 C CA . LYS AAA 1 33 CA . LYS 33 0.836 23.008 11.167 1.000 10.131 . 33 LYS AAA CA . 1 ATOM 528 H HA . LYS AAA 1 33 HA . LYS 33 0.927 22.177 10.645 1.000 10.372 . 33 LYS AAA HA c 1 ATOM 529 C CB . LYS AAA 1 33 CB . LYS 33 0.218 24.082 10.295 1.000 11.259 . 33 LYS AAA CB . 1 ATOM 530 H HB3 . LYS AAA 1 33 HB3 . LYS 33 -0.023 24.845 10.859 1.000 11.534 . 33 LYS AAA HB3 c 1 ATOM 531 H HB2 . LYS AAA 1 33 HB2 . LYS 33 -0.605 23.728 9.898 1.000 11.542 . 33 LYS AAA HB2 c 1 ATOM 532 C CG . LYS AAA 1 33 CG . LYS 33 1.124 24.571 9.181 1.000 13.907 . 33 LYS AAA CG . 1 ATOM 533 H HG3 . LYS AAA 1 33 HG3 . LYS 33 1.965 24.878 9.580 1.000 13.614 . 33 LYS AAA HG3 c 1 ATOM 534 H HG2 . LYS AAA 1 33 HG2 . LYS 33 0.708 25.348 8.766 1.000 13.639 . 33 LYS AAA HG2 c 1 ATOM 535 C CD . LYS AAA 1 33 CD . LYS 33 1.458 23.567 8.084 1.000 15.723 . 33 LYS AAA CD . 1 ATOM 536 H HD3 . LYS AAA 1 33 HD3 . LYS 33 0.623 23.228 7.696 1.000 15.729 . 33 LYS AAA HD3 c 1 ATOM 537 H HD2 . LYS AAA 1 33 HD2 . LYS 33 1.937 22.809 8.479 1.000 15.729 . 33 LYS AAA HD2 c 1 ATOM 538 C CE . LYS AAA 1 33 CE . LYS 33 2.310 24.164 6.972 1.000 17.803 . 33 LYS AAA CE . 1 ATOM 539 H HE3 . LYS AAA 1 33 HE3 . LYS 33 3.092 24.600 7.361 1.000 17.466 . 33 LYS AAA HE3 c 1 ATOM 540 H HE2 . LYS AAA 1 33 HE2 . LYS 33 1.794 24.840 6.494 1.000 17.450 . 33 LYS AAA HE2 c 1 ATOM 541 N NZ . LYS AAA 1 33 NZ . LYS 33 2.769 23.123 5.997 1.000 18.495 . 33 LYS AAA NZ . 1 ATOM 542 H HZ1 . LYS AAA 1 33 HZ1 . LYS 33 3.278 22.505 6.423 1.000 18.275 . 33 LYS AAA HZ1 c 1 ATOM 543 H HZ2 . LYS AAA 1 33 HZ2 . LYS 33 3.261 23.511 5.341 1.000 18.279 . 33 LYS AAA HZ2 c 1 ATOM 544 H HZ3 . LYS AAA 1 33 HZ3 . LYS 33 2.051 22.711 5.625 1.000 18.279 . 33 LYS AAA HZ3 c 1 ATOM 545 C C . LYS AAA 1 33 C . LYS 33 2.212 23.478 11.598 1.000 10.208 . 33 LYS AAA C . 1 ATOM 546 O O . LYS AAA 1 33 O . LYS 33 3.211 22.872 11.198 1.000 8.905 . 33 LYS AAA O . 1 ATOM 548 N N . PHE AAA 1 34 N . PHE 34 2.286 24.466 12.463 1.000 10.954 . 34 PHE AAA N . 1 ATOM 549 H H . PHE AAA 1 34 H . PHE 34 1.580 24.865 12.876 1.000 10.548 . 34 PHE AAA H c 1 ATOM 550 C CA . PHE AAA 1 34 CA . PHE 34 3.601 25.013 12.842 1.000 10.000 . 34 PHE AAA CA . 1 ATOM 551 H HA . PHE AAA 1 34 HA . PHE 34 4.180 24.965 12.042 1.000 10.450 . 34 PHE AAA HA c 1 ATOM 552 C CB . PHE AAA 1 34 CB . PHE 34 3.462 26.484 13.215 1.000 11.276 . 34 PHE AAA CB . 1 ATOM 553 H HB3 . PHE AAA 1 34 HB3 . PHE 34 4.331 26.822 13.518 1.000 10.894 . 34 PHE AAA HB3 c 1 ATOM 554 H HB2 . PHE AAA 1 34 HB2 . PHE 34 2.822 26.570 13.952 1.000 10.898 . 34 PHE AAA HB2 c 1 ATOM 555 C CG . PHE AAA 1 34 CG . PHE 34 2.995 27.286 12.045 1.000 10.986 . 34 PHE AAA CG . 1 ATOM 556 C CD1 . PHE AAA 1 34 CD1 . PHE 34 3.645 27.171 10.818 1.000 11.433 . 34 PHE AAA CD1 . 1 ATOM 557 H HD1 . PHE AAA 1 34 HD1 . PHE 34 4.386 26.595 10.727 1.000 11.416 . 34 PHE AAA HD1 c 1 ATOM 558 C CE1 . PHE AAA 1 34 CE1 . PHE 34 3.230 27.938 9.744 1.000 11.706 . 34 PHE AAA CE1 . 1 ATOM 559 H HE1 . PHE AAA 1 34 HE1 . PHE 34 3.664 27.844 8.911 1.000 11.595 . 34 PHE AAA HE1 c 1 ATOM 560 C CZ . PHE AAA 1 34 CZ . PHE 34 2.138 28.770 9.851 1.000 11.461 . 34 PHE AAA CZ . 1 ATOM 561 H HZ . PHE AAA 1 34 HZ . PHE 34 1.862 29.287 9.111 1.000 11.712 . 34 PHE AAA HZ c 1 ATOM 562 C CD2 . PHE AAA 1 34 CD2 . PHE 34 1.939 28.155 12.162 1.000 12.179 . 34 PHE AAA CD2 . 1 ATOM 563 H HD2 . PHE AAA 1 34 HD2 . PHE 34 1.490 28.225 12.990 1.000 11.894 . 34 PHE AAA HD2 c 1 ATOM 564 C CE2 . PHE AAA 1 34 CE2 . PHE 34 1.490 28.903 11.083 1.000 12.348 . 34 PHE AAA CE2 . 1 ATOM 565 H HE2 . PHE AAA 1 34 HE2 . PHE 34 0.755 29.486 11.177 1.000 12.044 . 34 PHE AAA HE2 c 1 ATOM 566 C C . PHE AAA 1 34 C . PHE 34 4.326 24.235 13.956 1.000 10.190 . 34 PHE AAA C . 1 ATOM 567 O O . PHE AAA 1 34 O . PHE 34 5.546 24.357 14.104 1.000 10.623 . 34 PHE AAA O . 1 ATOM 569 N N . GLU AAA 1 35 N . GLU 35 3.622 23.396 14.704 1.000 10.126 . 35 GLU AAA N . 1 ATOM 570 H H . GLU AAA 1 35 H . GLU 35 2.727 23.265 14.602 1.000 10.244 . 35 GLU AAA H c 1 ATOM 571 C CA . GLU AAA 1 35 CA . GLU 35 4.234 22.605 15.769 1.000 10.553 . 35 GLU AAA CA . 1 ATOM 572 H HA . GLU AAA 1 35 HA . GLU 35 4.944 23.140 16.188 1.000 10.496 . 35 GLU AAA HA c 1 ATOM 573 C CB . GLU AAA 1 35 CB . GLU 35 3.205 22.216 16.837 1.000 10.518 . 35 GLU AAA CB . 1 ATOM 574 H HB3 . GLU AAA 1 35 HB3 . GLU 35 3.585 21.505 17.394 1.000 10.554 . 35 GLU AAA HB3 c 1 ATOM 575 H HB2 . GLU AAA 1 35 HB2 . GLU 35 2.410 21.856 16.391 1.000 10.553 . 35 GLU AAA HB2 c 1 ATOM 576 C CG . GLU AAA 1 35 CG . GLU 35 2.788 23.369 17.727 1.000 10.634 . 35 GLU AAA CG . 1 ATOM 577 H HG3 . GLU AAA 1 35 HG3 . GLU 35 2.025 23.086 18.276 1.000 10.715 . 35 GLU AAA HG3 c 1 ATOM 578 H HG2 . GLU AAA 1 35 HG2 . GLU 35 2.484 24.111 17.164 1.000 10.713 . 35 GLU AAA HG2 c 1 ATOM 579 C CD . GLU AAA 1 35 CD . GLU 35 3.884 23.899 18.663 1.000 11.106 . 35 GLU AAA CD . 1 ATOM 580 O OE1 . GLU AAA 1 35 OE1 . GLU 35 5.002 23.320 18.670 1.000 10.750 . 35 GLU AAA OE1 . 1 ATOM 581 O OE2 . GLU AAA 1 35 OE2 . GLU 35 3.625 24.894 19.386 1.000 11.545 . 35 GLU AAA OE2 . 1 ATOM 582 C C . GLU AAA 1 35 C . GLU 35 4.863 21.355 15.145 1.000 10.718 . 35 GLU AAA C . 1 ATOM 583 O O . GLU AAA 1 35 O . GLU 35 5.967 20.932 15.528 1.000 10.472 . 35 GLU AAA O . 1 ATOM 585 N N . SER AAA 1 36 N . SER 36 4.167 20.705 14.218 1.000 10.846 . 36 SER AAA N . 1 ATOM 586 H H . SER AAA 1 36 H . SER 36 3.384 21.016 13.873 1.000 10.852 . 36 SER AAA H c 1 ATOM 587 C CA . SER AAA 1 36 CA . SER 36 4.537 19.364 13.675 1.000 10.985 . 36 SER AAA CA . 1 ATOM 588 H HA . SER AAA 1 36 HA . SER 36 5.478 19.183 13.941 1.000 10.959 . 36 SER AAA HA c 1 ATOM 589 C CB . SER AAA 1 36 CB . SER 36 3.684 18.312 14.290 1.000 10.841 . 36 SER AAA CB . 1 ATOM 590 H HB3 . SER AAA 1 36 HB3 . SER 36 3.677 18.425 15.267 1.000 10.374 . 36 SER AAA HB3 c 1 ATOM 591 H HB2 . SER AAA 1 36 HB2 . SER 36 4.057 17.425 14.085 1.000 10.378 . 36 SER AAA HB2 c 1 ATOM 592 O OG . SER AAA 1 36 OG . SER 36 2.359 18.401 13.789 1.000 8.876 . 36 SER AAA OG . 1 ATOM 593 H HG . SER AAA 1 36 HG . SER 36 1.891 17.798 14.167 0.000 8.780 . 36 SER AAA HG c 1 ATOM 594 C C . SER AAA 1 36 C . SER 36 4.458 19.223 12.159 1.000 11.141 . 36 SER AAA C . 1 ATOM 595 O O . SER AAA 1 36 O . SER 36 4.858 18.170 11.641 1.000 11.441 . 36 SER AAA O . 1 ATOM 597 N N . ASN AAA 1 37 N . ASN 37 3.969 20.237 11.453 1.000 11.954 . 37 ASN AAA N . 1 ATOM 598 H H . ASN AAA 1 37 H . ASN 37 3.756 21.042 11.816 1.000 11.816 . 37 ASN AAA H c 1 ATOM 599 C CA . ASN AAA 1 37 CA . ASN 37 3.747 20.158 10.004 1.000 12.252 . 37 ASN AAA CA . 1 ATOM 600 H HA . ASN AAA 1 37 HA . ASN 37 3.283 20.979 9.724 1.000 12.189 . 37 ASN AAA HA c 1 ATOM 601 C CB . ASN AAA 1 37 CB . ASN 37 5.057 20.073 9.207 1.000 13.607 . 37 ASN AAA CB . 1 ATOM 602 H HB3 . ASN AAA 1 37 HB3 . ASN 37 5.403 19.158 9.258 1.000 13.641 . 37 ASN AAA HB3 c 1 ATOM 603 H HB2 . ASN AAA 1 37 HB2 . ASN 37 5.716 20.670 9.615 1.000 13.653 . 37 ASN AAA HB2 c 1 ATOM 604 C CG . ASN AAA 1 37 CG . ASN 37 4.876 20.457 7.739 1.000 15.343 . 37 ASN AAA CG . 1 ATOM 605 O OD1 . ASN AAA 1 37 OD1 . ASN 37 3.894 21.141 7.418 1.000 17.068 . 37 ASN AAA OD1 . 1 ATOM 606 N ND2 . ASN AAA 1 37 ND2 . ASN 37 5.811 20.048 6.867 1.000 16.591 . 37 ASN AAA ND2 . 1 ATOM 607 H HD21 . ASN AAA 1 37 HD21 . ASN 37 5.726 20.234 6.014 0.000 16.240 . 37 ASN AAA HD21 c 1 ATOM 608 H HD22 . ASN AAA 1 37 HD22 . ASN 37 6.491 19.561 7.157 0.000 16.240 . 37 ASN AAA HD22 c 1 ATOM 609 C C . ASN AAA 1 37 C . ASN 37 2.814 18.968 9.739 1.000 10.975 . 37 ASN AAA C . 1 ATOM 610 O O . ASN AAA 1 37 O . ASN 37 3.007 18.247 8.735 1.000 11.246 . 37 ASN AAA O . 1 ATOM 612 N N . PHE AAA 1 38 N . PHE 38 1.821 18.768 10.635 1.000 11.508 . 38 PHE AAA N . 1 ATOM 613 H H . PHE AAA 1 38 H . PHE 38 1.711 19.293 11.371 1.000 11.487 . 38 PHE AAA H c 1 ATOM 614 C CA . PHE AAA 1 38 CA . PHE 38 0.784 17.722 10.548 1.000 11.969 . 38 PHE AAA CA . 1 ATOM 615 H HA . PHE AAA 1 38 HA . PHE 38 0.162 17.837 11.310 1.000 11.779 . 38 PHE AAA HA c 1 ATOM 616 C CB . PHE AAA 1 38 CB . PHE 38 -0.011 17.868 9.245 1.000 11.386 . 38 PHE AAA CB . 1 ATOM 617 H HB3 . PHE AAA 1 38 HB3 . PHE 38 -0.674 17.147 9.210 1.000 11.615 . 38 PHE AAA HB3 c 1 ATOM 618 H HB2 . PHE AAA 1 38 HB2 . PHE 38 0.602 17.738 8.493 1.000 11.615 . 38 PHE AAA HB2 c 1 ATOM 619 C CG . PHE AAA 1 38 CG . PHE 38 -0.722 19.164 9.065 1.000 11.784 . 38 PHE AAA CG . 1 ATOM 620 C CD1 . PHE AAA 1 38 CD1 . PHE 38 -1.210 19.872 10.159 1.000 12.158 . 38 PHE AAA CD1 . 1 ATOM 621 H HD1 . PHE AAA 1 38 HD1 . PHE 38 -1.101 19.543 11.036 1.000 11.992 . 38 PHE AAA HD1 c 1 ATOM 622 C CE1 . PHE AAA 1 38 CE1 . PHE 38 -1.888 21.069 9.927 1.000 11.751 . 38 PHE AAA CE1 . 1 ATOM 623 H HE1 . PHE AAA 1 38 HE1 . PHE 38 -2.230 21.562 10.654 1.000 12.063 . 38 PHE AAA HE1 c 1 ATOM 624 C CZ . PHE AAA 1 38 CZ . PHE 38 -2.062 21.532 8.640 1.000 12.723 . 38 PHE AAA CZ . 1 ATOM 625 H HZ . PHE AAA 1 38 HZ . PHE 38 -2.512 22.349 8.496 1.000 12.376 . 38 PHE AAA HZ c 1 ATOM 626 C CD2 . PHE AAA 1 38 CD2 . PHE 38 -0.891 19.659 7.781 1.000 12.346 . 38 PHE AAA CD2 . 1 ATOM 627 H HD2 . PHE AAA 1 38 HD2 . PHE 38 -0.569 19.165 7.044 1.000 12.207 . 38 PHE AAA HD2 c 1 ATOM 628 C CE2 . PHE AAA 1 38 CE2 . PHE 38 -1.579 20.833 7.570 1.000 12.375 . 38 PHE AAA CE2 . 1 ATOM 629 H HE2 . PHE AAA 1 38 HE2 . PHE 38 -1.691 21.167 6.694 1.000 12.409 . 38 PHE AAA HE2 c 1 ATOM 630 C C . PHE AAA 1 38 C . PHE 38 1.379 16.293 10.635 1.000 12.022 . 38 PHE AAA C . 1 ATOM 631 O O . PHE AAA 1 38 O . PHE 38 0.696 15.338 10.256 1.000 11.697 . 38 PHE AAA O . 1 ATOM 633 N N . ASN AAA 1 39 N . ASN 39 2.592 16.143 11.172 1.000 11.605 . 39 ASN AAA N . 1 ATOM 634 H H . ASN AAA 1 39 H . ASN 39 3.072 16.844 11.493 1.000 11.845 . 39 ASN AAA H c 1 ATOM 635 C CA . ASN AAA 1 39 CA . ASN 39 3.282 14.843 11.338 1.000 12.239 . 39 ASN AAA CA . 1 ATOM 636 H HA . ASN AAA 1 39 HA . ASN 39 2.888 14.200 10.703 1.000 12.029 . 39 ASN AAA HA c 1 ATOM 637 C CB . ASN AAA 1 39 CB . ASN 39 4.760 15.021 10.963 1.000 11.714 . 39 ASN AAA CB . 1 ATOM 638 H HB3 . ASN AAA 1 39 HB3 . ASN 39 5.198 15.572 11.643 1.000 11.973 . 39 ASN AAA HB3 c 1 ATOM 639 H HB2 . ASN AAA 1 39 HB2 . ASN 39 4.818 15.491 10.105 1.000 11.968 . 39 ASN AAA HB2 c 1 ATOM 640 C CG . ASN AAA 1 39 CG . ASN 39 5.493 13.680 10.853 1.000 12.276 . 39 ASN AAA CG . 1 ATOM 641 O OD1 . ASN AAA 1 39 OD1 . ASN 39 4.925 12.624 11.164 1.000 11.271 . 39 ASN AAA OD1 . 1 ATOM 642 N ND2 . ASN AAA 1 39 ND2 . ASN 39 6.754 13.738 10.403 1.000 13.915 . 39 ASN AAA ND2 . 1 ATOM 643 H HD21 . ASN AAA 1 39 HD21 . ASN 39 7.221 12.996 10.324 0.000 13.600 . 39 ASN AAA HD21 c 1 ATOM 644 H HD22 . ASN AAA 1 39 HD22 . ASN 39 7.108 14.517 10.194 0.000 13.600 . 39 ASN AAA HD22 c 1 ATOM 645 C C . ASN AAA 1 39 C . ASN 39 3.100 14.299 12.763 1.000 12.328 . 39 ASN AAA C . 1 ATOM 646 O O . ASN AAA 1 39 O . ASN 39 3.697 14.830 13.698 1.000 11.836 . 39 ASN AAA O . 1 ATOM 648 N N . THR AAA 1 40 N . THR 40 2.372 13.212 12.926 1.000 12.092 . 40 THR AAA N . 1 ATOM 649 H H . THR AAA 1 40 H . THR 40 1.974 12.754 12.249 1.000 12.033 . 40 THR AAA H c 1 ATOM 650 C CA . THR AAA 1 40 CA . THR 40 2.172 12.588 14.271 1.000 11.615 . 40 THR AAA CA . 1 ATOM 651 H HA . THR AAA 1 40 HA . THR 40 1.801 13.276 14.867 1.000 11.704 . 40 THR AAA HA c 1 ATOM 652 C CB . THR AAA 1 40 CB . THR 40 1.201 11.404 14.238 1.000 11.666 . 40 THR AAA CB . 1 ATOM 653 H HB . THR AAA 1 40 HB . THR 40 1.053 11.121 15.171 1.000 11.567 . 40 THR AAA HB c 1 ATOM 654 O OG1 . THR AAA 1 40 OG1 . THR 40 1.729 10.296 13.518 1.000 10.462 . 40 THR AAA OG1 . 1 ATOM 655 H HG1 . THR AAA 1 40 HG1 . THR 40 1.162 9.668 13.523 0.000 10.070 . 40 THR AAA HG1 c 1 ATOM 656 C CG2 . THR AAA 1 40 CG2 . THR 40 -0.137 11.813 13.654 1.000 12.472 . 40 THR AAA CG2 . 1 ATOM 657 H HG21 . THR AAA 1 40 HG21 . THR 40 -0.544 12.495 14.216 1.000 12.223 . 40 THR AAA HG21 c 1 ATOM 658 H HG22 . THR AAA 1 40 HG22 . THR 40 -0.724 11.037 13.615 1.000 12.223 . 40 THR AAA HG22 c 1 ATOM 659 H HG23 . THR AAA 1 40 HG23 . THR 40 -0.012 12.167 12.756 1.000 12.221 . 40 THR AAA HG23 c 1 ATOM 660 C C . THR AAA 1 40 C . THR 40 3.494 12.109 14.864 1.000 11.531 . 40 THR AAA C . 1 ATOM 661 O O . THR AAA 1 40 O . THR 40 3.579 11.965 16.077 1.000 12.566 . 40 THR AAA O . 1 ATOM 663 N N . GLN AAA 1 41 N . GLN 41 4.481 11.820 14.050 1.000 11.558 . 41 GLN AAA N . 1 ATOM 664 H H . GLN AAA 1 41 H . GLN 41 4.440 11.915 13.145 1.000 11.577 . 41 GLN AAA H c 1 ATOM 665 C CA . GLN AAA 1 41 CA . GLN 41 5.769 11.273 14.568 1.000 11.647 . 41 GLN AAA CA . 1 ATOM 666 H HA . GLN AAA 1 41 HA . GLN 41 5.562 10.784 15.398 1.000 11.931 . 41 GLN AAA HA c 1 ATOM 667 C CB . GLN AAA 1 41 CB . GLN 41 6.354 10.266 13.590 1.000 12.110 . 41 GLN AAA CB . 1 ATOM 668 H HB3 . GLN AAA 1 41 HB3 . GLN 41 7.179 9.906 13.978 1.000 12.442 . 41 GLN AAA HB3 c 1 ATOM 669 H HB2 . GLN AAA 1 41 HB2 . GLN 41 6.598 10.743 12.770 1.000 12.435 . 41 GLN AAA HB2 c 1 ATOM 670 C CG . GLN AAA 1 41 CG . GLN 41 5.443 9.112 13.228 1.000 14.079 . 41 GLN AAA CG . 1 ATOM 671 H HG3 . GLN AAA 1 41 HG3 . GLN 41 4.759 9.417 12.595 1.000 13.616 . 41 GLN AAA HG3 c 1 ATOM 672 H HG2 . GLN AAA 1 41 HG2 . GLN 41 4.990 8.783 14.035 1.000 13.620 . 41 GLN AAA HG2 c 1 ATOM 673 C CD . GLN AAA 1 41 CD . GLN 41 6.252 7.979 12.599 1.000 14.221 . 41 GLN AAA CD . 1 ATOM 674 O OE1 . GLN AAA 1 41 OE1 . GLN 41 7.013 7.317 13.320 1.000 15.398 . 41 GLN AAA OE1 . 1 ATOM 675 N NE2 . GLN AAA 1 41 NE2 . GLN 41 6.078 7.750 11.284 1.000 13.003 . 41 GLN AAA NE2 . 1 ATOM 676 H HE21 . GLN AAA 1 41 HE21 . GLN 41 6.510 7.099 10.889 0.000 12.660 . 41 GLN AAA HE21 c 1 ATOM 677 H HE22 . GLN AAA 1 41 HE22 . GLN 41 5.503 8.250 10.829 0.000 12.660 . 41 GLN AAA HE22 c 1 ATOM 678 C C . GLN AAA 1 41 C . GLN 41 6.791 12.361 14.929 1.000 12.790 . 41 GLN AAA C . 1 ATOM 679 O O . GLN AAA 1 41 O . GLN 41 7.882 11.998 15.287 1.000 12.613 . 41 GLN AAA O . 1 ATOM 681 N N . ALA AAA 1 42 N . ALA 42 6.453 13.644 14.819 1.000 12.355 . 42 ALA AAA N . 1 ATOM 682 H H . ALA AAA 1 42 H . ALA 42 5.639 13.952 14.551 1.000 12.319 . 42 ALA AAA H c 1 ATOM 683 C CA . ALA AAA 1 42 CA . ALA 42 7.416 14.716 15.134 1.000 11.822 . 42 ALA AAA CA . 1 ATOM 684 H HA . ALA AAA 1 42 HA . ALA 42 8.213 14.598 14.565 1.000 11.964 . 42 ALA AAA HA c 1 ATOM 685 C CB . ALA AAA 1 42 CB . ALA 42 6.773 16.039 14.807 1.000 11.792 . 42 ALA AAA CB . 1 ATOM 686 H HB3 . ALA AAA 1 42 HB3 . ALA 42 5.974 16.155 15.348 1.000 11.803 . 42 ALA AAA HB3 c 1 ATOM 687 H HB2 . ALA AAA 1 42 HB2 . ALA 42 6.531 16.059 13.866 1.000 11.803 . 42 ALA AAA HB2 c 1 ATOM 688 H HB1 . ALA AAA 1 42 HB1 . ALA 42 7.397 16.759 14.996 1.000 11.802 . 42 ALA AAA HB1 c 1 ATOM 689 C C . ALA AAA 1 42 C . ALA 42 7.852 14.653 16.615 1.000 12.045 . 42 ALA AAA C . 1 ATOM 690 O O . ALA AAA 1 42 O . ALA 42 7.017 14.450 17.504 1.000 12.479 . 42 ALA AAA O . 1 ATOM 692 N N . THR AAA 1 43 N . THR 43 9.146 14.824 16.859 1.000 12.969 . 43 THR AAA N . 1 ATOM 693 H H . THR AAA 1 43 H . THR 43 9.774 14.866 16.209 1.000 12.971 . 43 THR AAA H c 1 ATOM 694 C CA . THR AAA 1 43 CA . THR 43 9.719 14.882 18.211 1.000 13.733 . 43 THR AAA CA . 1 ATOM 695 H HA . THR AAA 1 43 HA . THR 43 9.019 15.146 18.846 1.000 13.446 . 43 THR AAA HA c 1 ATOM 696 C CB . THR AAA 1 43 CB . THR 43 10.345 13.527 18.654 1.000 13.513 . 43 THR AAA CB . 1 ATOM 697 H HB . THR AAA 1 43 HB . THR 43 10.696 13.647 19.569 1.000 13.790 . 43 THR AAA HB c 1 ATOM 698 O OG1 . THR AAA 1 43 OG1 . THR 43 11.441 13.137 17.800 1.000 14.751 . 43 THR AAA OG1 . 1 ATOM 699 H HG1 . THR AAA 1 43 HG1 . THR 43 11.758 12.388 18.066 0.000 14.790 . 43 THR AAA HG1 c 1 ATOM 700 C CG2 . THR AAA 1 43 CG2 . THR 43 9.312 12.417 18.689 1.000 13.548 . 43 THR AAA CG2 . 1 ATOM 701 H HG21 . THR AAA 1 43 HG21 . THR 43 8.578 12.674 19.276 1.000 13.536 . 43 THR AAA HG21 c 1 ATOM 702 H HG22 . THR AAA 1 43 HG22 . THR 43 9.723 11.600 19.024 1.000 13.536 . 43 THR AAA HG22 c 1 ATOM 703 H HG23 . THR AAA 1 43 HG23 . THR 43 8.969 12.262 17.791 1.000 13.533 . 43 THR AAA HG23 c 1 ATOM 704 C C . THR AAA 1 43 C . THR 43 10.786 15.948 18.160 1.000 13.273 . 43 THR AAA C . 1 ATOM 705 O O . THR AAA 1 43 O . THR 43 11.459 16.133 17.116 1.000 13.300 . 43 THR AAA O . 1 ATOM 707 N N . ASN AAA 1 44 N . ASN 44 10.955 16.673 19.261 1.000 13.842 . 44 ASN AAA N . 1 ATOM 708 H H . ASN AAA 1 44 H . ASN 44 10.478 16.541 20.027 1.000 13.739 . 44 ASN AAA H c 1 ATOM 709 C CA . ASN AAA 1 44 CA . ASN 44 11.932 17.762 19.324 1.000 13.996 . 44 ASN AAA CA . 1 ATOM 710 H HA . ASN AAA 1 44 HA . ASN 44 12.705 17.523 18.761 1.000 14.018 . 44 ASN AAA HA c 1 ATOM 711 C CB . ASN AAA 1 44 CB . ASN 44 11.330 19.060 18.772 1.000 15.425 . 44 ASN AAA CB . 1 ATOM 712 H HB3 . ASN AAA 1 44 HB3 . ASN 44 11.921 19.807 18.997 1.000 15.139 . 44 ASN AAA HB3 c 1 ATOM 713 H HB2 . ASN AAA 1 44 HB2 . ASN 44 10.463 19.217 19.200 1.000 15.136 . 44 ASN AAA HB2 c 1 ATOM 714 C CG . ASN AAA 1 44 CG . ASN 44 11.141 19.008 17.260 1.000 15.729 . 44 ASN AAA CG . 1 ATOM 715 O OD1 . ASN AAA 1 44 OD1 . ASN 44 12.155 19.115 16.551 1.000 17.563 . 44 ASN AAA OD1 . 1 ATOM 716 N ND2 . ASN AAA 1 44 ND2 . ASN 44 9.894 18.872 16.782 1.000 15.800 . 44 ASN AAA ND2 . 1 ATOM 717 H HD21 . ASN AAA 1 44 HD21 . ASN 44 9.778 18.837 15.898 0.000 15.640 . 44 ASN AAA HD21 c 1 ATOM 718 H HD22 . ASN AAA 1 44 HD22 . ASN 44 9.214 18.809 17.321 0.000 15.640 . 44 ASN AAA HD22 c 1 ATOM 719 C C . ASN AAA 1 44 C . ASN 44 12.406 17.914 20.771 1.000 12.955 . 44 ASN AAA C . 1 ATOM 720 O O . ASN AAA 1 44 O . ASN 44 11.580 18.081 21.700 1.000 13.954 . 44 ASN AAA O . 1 ATOM 722 N N . ARG AAA 1 45 N . ARG 45 13.742 17.888 20.937 1.000 13.597 . 45 ARG AAA N . 1 ATOM 723 H H . ARG AAA 1 45 H . ARG 45 14.334 17.804 20.249 1.000 13.800 . 45 ARG AAA H c 1 ATOM 724 C CA . ARG AAA 1 45 CA . ARG 45 14.356 18.000 22.266 1.000 15.187 . 45 ARG AAA CA . 1 ATOM 725 H HA . ARG AAA 1 45 HA . ARG 45 13.794 17.509 22.905 1.000 14.490 . 45 ARG AAA HA c 1 ATOM 726 C CB . ARG AAA 1 45 CB . ARG 45 15.772 17.416 22.294 1.000 14.328 . 45 ARG AAA CB . 1 ATOM 727 H HB3 . ARG AAA 1 45 HB3 . ARG 45 16.388 18.061 21.888 1.000 14.702 . 45 ARG AAA HB3 c 1 ATOM 728 H HB2 . ARG AAA 1 45 HB2 . ARG 45 15.788 16.600 21.753 1.000 14.704 . 45 ARG AAA HB2 c 1 ATOM 729 C CG . ARG AAA 1 45 CG . ARG 45 16.251 17.091 23.701 1.000 15.084 . 45 ARG AAA CG . 1 ATOM 730 H HG3 . ARG AAA 1 45 HG3 . ARG 45 16.072 17.842 24.305 1.000 14.903 . 45 ARG AAA HG3 c 1 ATOM 731 H HG2 . ARG AAA 1 45 HG2 . ARG 45 17.214 16.905 23.698 1.000 14.903 . 45 ARG AAA HG2 c 1 ATOM 732 C CD . ARG AAA 1 45 CD . ARG 45 15.485 15.860 24.159 1.000 15.092 . 45 ARG AAA CD . 1 ATOM 733 H HD3 . ARG AAA 1 45 HD3 . ARG 45 15.669 15.133 23.531 1.000 15.023 . 45 ARG AAA HD3 c 1 ATOM 734 H HD2 . ARG AAA 1 45 HD2 . ARG 45 14.529 16.055 24.101 1.000 14.994 . 45 ARG AAA HD2 c 1 ATOM 735 N NE . ARG AAA 1 45 NE . ARG 45 15.769 15.393 25.510 0.500 14.730 . 45 ARG AAA NE . 1 ATOM 736 H HE . ARG AAA 1 45 HE . ARG 45 15.193 15.580 26.135 0.500 14.565 . 45 ARG AAA HE c 1 ATOM 737 C CZ . ARG AAA 1 45 CZ . ARG 45 16.846 14.672 25.850 0.500 13.944 . 45 ARG AAA CZ . 1 ATOM 738 N NH1 . ARG AAA 1 45 NH1 . ARG 45 17.732 14.324 24.948 0.500 14.187 . 45 ARG AAA NH1 . 1 ATOM 739 H HH11 . ARG AAA 1 45 HH11 . ARG 45 17.642 14.581 24.115 0.500 14.115 . 45 ARG AAA HH11 c 1 ATOM 740 H HH12 . ARG AAA 1 45 HH12 . ARG 45 18.432 13.850 25.189 0.500 14.109 . 45 ARG AAA HH12 c 1 ATOM 741 N NH2 . ARG AAA 1 45 NH2 . ARG 45 17.009 14.254 27.091 0.500 13.143 . 45 ARG AAA NH2 . 1 ATOM 742 H HH21 . ARG AAA 1 45 HH21 . ARG 45 16.419 14.472 27.708 0.500 13.465 . 45 ARG AAA HH21 c 1 ATOM 743 H HH22 . ARG AAA 1 45 HH22 . ARG 45 17.721 13.781 27.305 0.500 13.465 . 45 ARG AAA HH22 c 1 ATOM 744 C C . ARG AAA 1 45 C . ARG 45 14.361 19.473 22.650 1.000 14.049 . 45 ARG AAA C . 1 ATOM 745 O O . ARG AAA 1 45 O . ARG 45 14.662 20.362 21.825 1.000 14.384 . 45 ARG AAA O . 1 ATOM 747 N N . ASN AAA 1 46 N . ASN 46 14.035 19.711 23.916 1.000 14.981 . 46 ASN AAA N . 1 ATOM 748 H H . ASN AAA 1 46 H . ASN 46 13.776 19.056 24.494 1.000 14.709 . 46 ASN AAA H c 1 ATOM 749 C CA . ASN AAA 1 46 CA . ASN 46 14.064 21.060 24.507 1.000 14.769 . 46 ASN AAA CA . 1 ATOM 750 H HA . ASN AAA 1 46 HA . ASN 46 14.010 21.727 23.783 1.000 14.847 . 46 ASN AAA HA c 1 ATOM 751 C CB . ASN AAA 1 46 CB . ASN 46 12.877 21.278 25.438 1.000 15.207 . 46 ASN AAA CB . 1 ATOM 752 H HB3 . ASN AAA 1 46 HB3 . ASN 46 12.927 22.185 25.803 1.000 15.355 . 46 ASN AAA HB3 c 1 ATOM 753 H HB2 . ASN AAA 1 46 HB2 . ASN 46 12.945 20.650 26.186 1.000 15.347 . 46 ASN AAA HB2 c 1 ATOM 754 C CG . ASN AAA 1 46 CG . ASN 46 11.537 21.095 24.766 1.000 16.323 . 46 ASN AAA CG . 1 ATOM 755 O OD1 . ASN AAA 1 46 OD1 . ASN 46 11.362 21.568 23.630 1.000 17.762 . 46 ASN AAA OD1 . 1 ATOM 756 N ND2 . ASN AAA 1 46 ND2 . ASN 46 10.583 20.453 25.463 1.000 14.390 . 46 ASN AAA ND2 . 1 ATOM 757 H HD21 . ASN AAA 1 46 HD21 . ASN 46 9.793 20.311 25.113 0.000 14.480 . 46 ASN AAA HD21 c 1 ATOM 758 H HD22 . ASN AAA 1 46 HD22 . ASN 46 10.772 20.151 26.279 0.000 14.480 . 46 ASN AAA HD22 c 1 ATOM 759 C C . ASN AAA 1 46 C . ASN 46 15.398 21.224 25.231 1.000 14.526 . 46 ASN AAA C . 1 ATOM 760 O O . ASN AAA 1 46 O . ASN 46 15.979 20.257 25.657 1.000 13.824 . 46 ASN AAA O . 1 ATOM 762 N N . THR AAA 1 47 N . THR 47 15.825 22.457 25.398 1.000 14.179 . 47 THR AAA N . 1 ATOM 763 H H . THR AAA 1 47 H . THR 47 15.361 23.191 25.129 1.000 14.312 . 47 THR AAA H c 1 ATOM 764 C CA . THR AAA 1 47 CA . THR 47 17.093 22.785 26.090 1.000 14.325 . 47 THR AAA CA . 1 ATOM 765 H HA . THR AAA 1 47 HA . THR 47 17.814 22.374 25.561 1.000 14.500 . 47 THR AAA HA c 1 ATOM 766 C CB . THR AAA 1 47 CB . THR 47 17.334 24.306 26.075 1.000 15.776 . 47 THR AAA CB . 1 ATOM 767 H HB . THR AAA 1 47 HB . THR 47 18.201 24.474 26.517 1.000 16.085 . 47 THR AAA HB c 1 ATOM 768 O OG1 . THR AAA 1 47 OG1 . THR 47 16.326 25.019 26.789 1.000 17.833 . 47 THR AAA OG1 . 1 ATOM 769 H HG1 . THR AAA 1 47 HG1 . THR 47 16.487 25.839 26.751 0.000 17.400 . 47 THR AAA HG1 c 1 ATOM 770 C CG2 . THR AAA 1 47 CG2 . THR 47 17.412 24.847 24.675 1.000 17.020 . 47 THR AAA CG2 . 1 ATOM 771 H HG21 . THR AAA 1 47 HG21 . THR 47 18.119 24.386 24.188 1.000 16.630 . 47 THR AAA HG21 c 1 ATOM 772 H HG22 . THR AAA 1 47 HG22 . THR 47 17.611 25.800 24.706 1.000 16.630 . 47 THR AAA HG22 c 1 ATOM 773 H HG23 . THR AAA 1 47 HG23 . THR 47 16.565 24.709 24.220 1.000 16.639 . 47 THR AAA HG23 c 1 ATOM 774 C C . THR AAA 1 47 C . THR 47 17.174 22.185 27.504 1.000 14.004 . 47 THR AAA C . 1 ATOM 775 O O . THR AAA 1 47 O . THR 47 18.303 21.928 27.967 1.000 14.336 . 47 THR AAA O . 1 ATOM 777 N N . ASP AAA 1 48 N . ASP 48 16.044 22.023 28.199 1.000 15.016 . 48 ASP AAA N . 1 ATOM 778 H H . ASP AAA 1 48 H . ASP 48 15.213 22.190 27.866 1.000 14.552 . 48 ASP AAA H c 1 ATOM 779 C CA . ASP AAA 1 48 CA . ASP 48 16.082 21.565 29.610 1.000 14.089 . 48 ASP AAA CA . 1 ATOM 780 H HA . ASP AAA 1 48 HA . ASP 48 16.899 21.925 30.028 1.000 14.184 . 48 ASP AAA HA c 1 ATOM 781 C CB . ASP AAA 1 48 CB . ASP 48 14.892 22.118 30.367 1.000 14.472 . 48 ASP AAA CB . 1 ATOM 782 H HB3 . ASP AAA 1 48 HB3 . ASP 48 14.869 23.090 30.251 1.000 14.633 . 48 ASP AAA HB3 c 1 ATOM 783 H HB2 . ASP AAA 1 48 HB2 . ASP 48 15.010 21.929 31.321 1.000 14.633 . 48 ASP AAA HB2 c 1 ATOM 784 C CG . ASP AAA 1 48 CG . ASP 48 13.555 21.563 29.943 1.000 15.582 . 48 ASP AAA CG . 1 ATOM 785 O OD1 . ASP AAA 1 48 OD1 . ASP 48 13.498 20.908 28.883 1.000 15.351 . 48 ASP AAA OD1 . 1 ATOM 786 O OD2 . ASP AAA 1 48 OD2 . ASP 48 12.549 21.863 30.622 1.000 15.260 . 48 ASP AAA OD2 . 1 ATOM 787 C C . ASP AAA 1 48 C . ASP 48 16.135 20.020 29.693 1.000 13.330 . 48 ASP AAA C . 1 ATOM 788 O O . ASP AAA 1 48 O . ASP 48 16.112 19.483 30.812 1.000 13.387 . 48 ASP AAA O . 1 ATOM 790 N N . GLY AAA 1 49 N . GLY 49 16.111 19.328 28.572 1.000 14.564 . 49 GLY AAA N . 1 ATOM 791 H H . GLY AAA 1 49 H . GLY 49 16.045 19.706 27.748 1.000 13.915 . 49 GLY AAA H c 1 ATOM 792 C CA . GLY AAA 1 49 CA . GLY 49 16.172 17.859 28.588 1.000 13.097 . 49 GLY AAA CA . 1 ATOM 793 H HA3 . GLY AAA 1 49 HA3 . GLY 49 16.478 17.556 29.479 1.000 13.364 . 49 GLY AAA HA3 c 1 ATOM 794 H HA2 . GLY AAA 1 49 HA2 . GLY 49 16.843 17.563 27.924 1.000 13.364 . 49 GLY AAA HA2 c 1 ATOM 795 C C . GLY AAA 1 49 C . GLY 49 14.857 17.213 28.274 1.000 12.831 . 49 GLY AAA C . 1 ATOM 796 O O . GLY AAA 1 49 O . GLY 49 14.833 16.010 28.034 1.000 12.848 . 49 GLY AAA O . 1 ATOM 798 N N . SER AAA 1 50 N . SER 50 13.770 17.964 28.358 1.000 12.214 . 50 SER AAA N . 1 ATOM 799 H H . SER AAA 1 50 H . SER 50 13.754 18.839 28.609 1.000 12.331 . 50 SER AAA H c 1 ATOM 800 C CA . SER AAA 1 50 CA . SER 50 12.437 17.420 28.044 1.000 12.090 . 50 SER AAA CA . 1 ATOM 801 H HA . SER AAA 1 50 HA . SER 50 12.365 16.516 28.455 1.000 11.669 . 50 SER AAA HA c 1 ATOM 802 C CB . SER AAA 1 50 CB . SER 50 11.328 18.286 28.599 1.000 11.105 . 50 SER AAA CB . 1 ATOM 803 H HB3 . SER AAA 1 50 HB3 . SER 50 11.451 18.383 29.571 1.000 11.463 . 50 SER AAA HB3 c 1 ATOM 804 H HB2 . SER AAA 1 50 HB2 . SER 50 10.466 17.838 28.449 1.000 11.475 . 50 SER AAA HB2 c 1 ATOM 805 O OG . SER AAA 1 50 OG . SER 50 11.299 19.569 28.004 1.000 11.661 . 50 SER AAA OG . 1 ATOM 806 H HG . SER AAA 1 50 HG . SER 50 10.647 20.005 28.356 0.000 12.120 . 50 SER AAA HG c 1 ATOM 807 C C . SER AAA 1 50 C . SER 50 12.326 17.264 26.515 1.000 10.795 . 50 SER AAA C . 1 ATOM 808 O O . SER AAA 1 50 O . SER 50 13.160 17.812 25.745 1.000 11.479 . 50 SER AAA O . 1 ATOM 810 N N . THR AAA 1 51 N . THR 51 11.268 16.616 26.078 1.000 11.481 . 51 THR AAA N . 1 ATOM 811 H H . THR AAA 1 51 H . THR 51 10.634 16.231 26.608 1.000 11.333 . 51 THR AAA H c 1 ATOM 812 C CA . THR AAA 1 51 CA . THR 51 11.019 16.451 24.631 1.000 11.554 . 51 THR AAA CA . 1 ATOM 813 H HA . THR AAA 1 51 HA . THR 51 11.568 17.107 24.144 1.000 11.417 . 51 THR AAA HA c 1 ATOM 814 C CB . THR AAA 1 51 CB . THR 51 11.419 15.034 24.174 1.000 11.615 . 51 THR AAA CB . 1 ATOM 815 H HB . THR AAA 1 51 HB . THR 51 10.879 14.395 24.693 1.000 11.534 . 51 THR AAA HB c 1 ATOM 816 O OG1 . THR AAA 1 51 OG1 . THR 51 12.799 14.746 24.420 1.000 11.271 . 51 THR AAA OG1 . 1 ATOM 817 H HG1 . THR AAA 1 51 HG1 . THR 51 12.966 13.949 24.160 0.000 11.140 . 51 THR AAA HG1 c 1 ATOM 818 C CG2 . THR AAA 1 51 CG2 . THR 51 11.124 14.814 22.705 1.000 11.672 . 51 THR AAA CG2 . 1 ATOM 819 H HG21 . THR AAA 1 51 HG21 . THR 51 10.160 14.780 22.565 1.000 11.653 . 51 THR AAA HG21 c 1 ATOM 820 H HG22 . THR AAA 1 51 HG22 . THR 51 11.521 13.972 22.417 1.000 11.656 . 51 THR AAA HG22 c 1 ATOM 821 H HG23 . THR AAA 1 51 HG23 . THR 51 11.502 15.545 22.184 1.000 11.660 . 51 THR AAA HG23 c 1 ATOM 822 C C . THR AAA 1 51 C . THR 51 9.552 16.725 24.331 1.000 10.859 . 51 THR AAA C . 1 ATOM 823 O O . THR AAA 1 51 O . THR 51 8.670 16.448 25.152 1.000 11.293 . 51 THR AAA O . 1 ATOM 825 N N . ASP AAA 1 52 N . ASP 52 9.286 17.266 23.151 1.000 10.850 . 52 ASP AAA N . 1 ATOM 826 H H . ASP AAA 1 52 H . ASP 52 9.942 17.489 22.560 1.000 10.991 . 52 ASP AAA H c 1 ATOM 827 C CA . ASP AAA 1 52 CA . ASP 52 7.918 17.570 22.651 1.000 11.426 . 52 ASP AAA CA . 1 ATOM 828 H HA . ASP AAA 1 52 HA . ASP 52 7.297 17.585 23.414 1.000 11.600 . 52 ASP AAA HA c 1 ATOM 829 C CB . ASP AAA 1 52 CB . ASP 52 7.865 18.928 21.943 1.000 12.306 . 52 ASP AAA CB . 1 ATOM 830 H HB3 . ASP AAA 1 52 HB3 . ASP 52 7.010 19.010 21.482 1.000 12.150 . 52 ASP AAA HB3 c 1 ATOM 831 H HB2 . ASP AAA 1 52 HB2 . ASP 52 8.582 18.977 21.278 1.000 12.153 . 52 ASP AAA HB2 c 1 ATOM 832 C CG . ASP AAA 1 52 CG . ASP 52 8.015 20.099 22.913 1.000 12.592 . 52 ASP AAA CG . 1 ATOM 833 O OD1 . ASP AAA 1 52 OD1 . ASP 52 8.013 19.836 24.144 1.000 13.139 . 52 ASP AAA OD1 . 1 ATOM 834 O OD2 . ASP AAA 1 52 OD2 . ASP 52 8.138 21.252 22.447 1.000 13.725 . 52 ASP AAA OD2 . 1 ATOM 835 C C . ASP AAA 1 52 C . ASP 52 7.528 16.445 21.723 1.000 12.087 . 52 ASP AAA C . 1 ATOM 836 O O . ASP AAA 1 52 O . ASP 52 8.361 16.050 20.891 1.000 11.588 . 52 ASP AAA O . 1 ATOM 838 N N . TYR AAA 1 53 N . TYR 53 6.313 15.943 21.853 1.000 11.748 . 53 TYR AAA N . 1 ATOM 839 H H . TYR AAA 1 53 H . TYR 53 5.689 16.233 22.449 1.000 11.902 . 53 TYR AAA H c 1 ATOM 840 C CA . TYR AAA 1 53 CA . TYR 53 5.848 14.821 21.002 1.000 12.065 . 53 TYR AAA CA . 1 ATOM 841 H HA . TYR AAA 1 53 HA . TYR 53 6.541 14.631 20.322 1.000 11.799 . 53 TYR AAA HA c 1 ATOM 842 C CB . TYR AAA 1 53 CB . TYR 53 5.643 13.561 21.849 1.000 11.253 . 53 TYR AAA CB . 1 ATOM 843 H HB3 . TYR AAA 1 53 HB3 . TYR 53 5.336 12.836 21.265 1.000 11.165 . 53 TYR AAA HB3 c 1 ATOM 844 H HB2 . TYR AAA 1 53 HB2 . TYR 53 4.939 13.737 22.508 1.000 11.170 . 53 TYR AAA HB2 c 1 ATOM 845 C CG . TYR AAA 1 53 CG . TYR 53 6.878 13.118 22.565 1.000 10.168 . 53 TYR AAA CG . 1 ATOM 846 C CD1 . TYR AAA 1 53 CD1 . TYR 53 7.297 13.723 23.740 1.000 9.491 . 53 TYR AAA CD1 . 1 ATOM 847 H HD1 . TYR AAA 1 53 HD1 . TYR 53 6.792 14.432 24.104 1.000 9.809 . 53 TYR AAA HD1 c 1 ATOM 848 C CE1 . TYR AAA 1 53 CE1 . TYR 53 8.441 13.275 24.413 1.000 10.149 . 53 TYR AAA CE1 . 1 ATOM 849 H HE1 . TYR AAA 1 53 HE1 . TYR 53 8.711 13.697 25.211 1.000 9.871 . 53 TYR AAA HE1 c 1 ATOM 850 C CZ . TYR AAA 1 53 CZ . TYR 53 9.189 12.232 23.906 1.000 9.563 . 53 TYR AAA CZ . 1 ATOM 851 O OH . TYR AAA 1 53 OH . TYR 53 10.322 11.800 24.607 1.000 9.455 . 53 TYR AAA OH . 1 ATOM 852 H HH . TYR AAA 1 53 HH . TYR 53 10.097 11.511 25.380 0.000 9.820 . 53 TYR AAA HH c 1 ATOM 853 C CE2 . TYR AAA 1 53 CE2 . TYR 53 8.806 11.634 22.712 1.000 9.923 . 53 TYR AAA CE2 . 1 ATOM 854 H HE2 . TYR AAA 1 53 HE2 . TYR 53 9.291 10.898 22.377 1.000 9.797 . 53 TYR AAA HE2 c 1 ATOM 855 C CD2 . TYR AAA 1 53 CD2 . TYR 53 7.637 12.041 22.090 1.000 9.681 . 53 TYR AAA CD2 . 1 ATOM 856 H HD2 . TYR AAA 1 53 HD2 . TYR 53 7.387 11.628 21.280 1.000 9.866 . 53 TYR AAA HD2 c 1 ATOM 857 C C . TYR AAA 1 53 C . TYR 53 4.507 14.997 20.286 1.000 11.821 . 53 TYR AAA C . 1 ATOM 858 O O . TYR AAA 1 53 O . TYR 53 3.549 15.542 20.792 1.000 11.393 . 53 TYR AAA O . 1 ATOM 860 N N . GLY AAA 1 54 N . GLY 54 4.490 14.537 19.034 1.000 11.365 . 54 GLY AAA N . 1 ATOM 861 H H . GLY AAA 1 54 H . GLY 54 5.234 14.223 18.613 1.000 11.624 . 54 GLY AAA H c 1 ATOM 862 C CA . GLY AAA 1 54 CA . GLY 54 3.270 14.503 18.230 1.000 12.004 . 54 GLY AAA CA . 1 ATOM 863 H HA3 . GLY AAA 1 54 HA3 . GLY 54 2.528 14.224 18.820 1.000 11.716 . 54 GLY AAA HA3 c 1 ATOM 864 H HA2 . GLY AAA 1 54 HA2 . GLY 54 3.375 13.789 17.557 1.000 11.714 . 54 GLY AAA HA2 c 1 ATOM 865 C C . GLY AAA 1 54 C . GLY 54 2.845 15.765 17.511 1.000 11.415 . 54 GLY AAA C . 1 ATOM 866 O O . GLY AAA 1 54 O . GLY 54 3.542 16.768 17.496 1.000 11.259 . 54 GLY AAA O . 1 ATOM 868 N N . ILE AAA 1 55 N . ILE 55 1.641 15.703 16.929 1.000 11.406 . 55 ILE AAA N . 1 ATOM 869 H H . ILE AAA 1 55 H . ILE 55 1.114 14.965 17.006 1.000 11.472 . 55 ILE AAA H c 1 ATOM 870 C CA . ILE AAA 1 55 CA . ILE 55 1.033 16.769 16.125 1.000 11.574 . 55 ILE AAA CA . 1 ATOM 871 H HA . ILE AAA 1 55 HA . ILE 55 1.582 16.885 15.336 1.000 11.623 . 55 ILE AAA HA c 1 ATOM 872 C CB . ILE AAA 1 55 CB . ILE 55 -0.381 16.384 15.653 1.000 12.909 . 55 ILE AAA CB . 1 ATOM 873 H HB . ILE AAA 1 55 HB . ILE 55 -0.763 17.156 15.166 1.000 12.805 . 55 ILE AAA HB c 1 ATOM 874 C CG1 . ILE AAA 1 55 CG1 . ILE 55 -1.295 16.072 16.841 1.000 13.665 . 55 ILE AAA CG1 . 1 ATOM 875 H HG12 . ILE AAA 1 55 HG12 . ILE 55 -1.075 16.670 17.583 1.000 14.184 . 55 ILE AAA HG12 c 1 ATOM 876 H HG13 . ILE AAA 1 55 HG13 . ILE 55 -1.130 15.154 17.135 1.000 14.209 . 55 ILE AAA HG13 c 1 ATOM 877 C CG2 . ILE AAA 1 55 CG2 . ILE 55 -0.291 15.224 14.701 1.000 13.021 . 55 ILE AAA CG2 . 1 ATOM 878 H HG21 . ILE AAA 1 55 HG21 . ILE 55 0.350 15.427 13.997 1.000 12.983 . 55 ILE AAA HG21 c 1 ATOM 879 H HG22 . ILE AAA 1 55 HG22 . ILE 55 -1.164 15.059 14.304 1.000 12.986 . 55 ILE AAA HG22 c 1 ATOM 880 C CD1 . ILE AAA 1 55 CD1 . ILE 55 -2.739 16.216 16.530 1.000 17.064 . 55 ILE AAA CD1 . 1 ATOM 881 H HD11 . ILE AAA 1 55 HD11 . ILE 55 -2.922 17.129 16.248 1.000 15.935 . 55 ILE AAA HD11 c 1 ATOM 882 H HD12 . ILE AAA 1 55 HD12 . ILE 55 -3.264 16.012 17.323 1.000 15.935 . 55 ILE AAA HD12 c 1 ATOM 883 H HD13 . ILE AAA 1 55 HD13 . ILE 55 -2.981 15.602 15.815 1.000 15.935 . 55 ILE AAA HD13 c 1 ATOM 884 H HG23 . ILE AAA 1 55 HG23 . ILE 55 -0.002 14.430 15.181 1.000 12.990 . 55 ILE AAA HG23 c 1 ATOM 885 C C . ILE AAA 1 55 C . ILE 55 0.984 18.110 16.866 1.000 10.782 . 55 ILE AAA C . 1 ATOM 886 O O . ILE AAA 1 55 O . ILE 55 0.967 19.142 16.205 1.000 10.926 . 55 ILE AAA O . 1 ATOM 888 N N . LEU AAA 1 56 N . LEU 56 0.873 18.086 18.182 1.000 11.706 . 56 LEU AAA N . 1 ATOM 889 H H . LEU AAA 1 56 H . LEU 56 0.834 17.320 18.674 1.000 11.398 . 56 LEU AAA H c 1 ATOM 890 C CA . LEU AAA 1 56 CA . LEU 56 0.782 19.329 18.969 1.000 11.322 . 56 LEU AAA CA . 1 ATOM 891 H HA . LEU AAA 1 56 HA . LEU 56 0.810 20.085 18.342 1.000 11.213 . 56 LEU AAA HA c 1 ATOM 892 C CB . LEU AAA 1 56 CB . LEU 56 -0.555 19.351 19.701 1.000 11.232 . 56 LEU AAA CB . 1 ATOM 893 H HB3 . LEU AAA 1 56 HB3 . LEU 56 -0.502 19.999 20.431 1.000 11.404 . 56 LEU AAA HB3 c 1 ATOM 894 H HB2 . LEU AAA 1 56 HB2 . LEU 56 -0.708 18.469 20.096 1.000 11.407 . 56 LEU AAA HB2 c 1 ATOM 895 C CG . LEU AAA 1 56 CG . LEU 56 -1.760 19.710 18.813 1.000 11.899 . 56 LEU AAA CG . 1 ATOM 896 H HG . LEU AAA 1 56 HG . LEU 56 -1.759 19.106 18.030 1.000 12.130 . 56 LEU AAA HG c 1 ATOM 897 C CD1 . LEU AAA 1 56 CD1 . LEU 56 -3.058 19.505 19.567 1.000 13.175 . 56 LEU AAA CD1 . 1 ATOM 898 H HD11 . LEU AAA 1 56 HD11 . LEU 56 -3.135 18.572 19.833 1.000 12.769 . 56 LEU AAA HD11 c 1 ATOM 899 H HD12 . LEU AAA 1 56 HD12 . LEU 56 -3.808 19.742 18.994 1.000 12.769 . 56 LEU AAA HD12 c 1 ATOM 900 H HD13 . LEU AAA 1 56 HD13 . LEU 56 -3.065 20.069 20.360 1.000 12.769 . 56 LEU AAA HD13 c 1 ATOM 901 C CD2 . LEU AAA 1 56 CD2 . LEU 56 -1.630 21.157 18.306 1.000 12.595 . 56 LEU AAA CD2 . 1 ATOM 902 H HD21 . LEU AAA 1 56 HD21 . LEU 56 -1.431 21.747 19.056 1.000 12.375 . 56 LEU AAA HD21 c 1 ATOM 903 H HD22 . LEU AAA 1 56 HD22 . LEU 56 -2.467 21.431 17.890 1.000 12.375 . 56 LEU AAA HD22 c 1 ATOM 904 H HD23 . LEU AAA 1 56 HD23 . LEU 56 -0.911 21.210 17.651 1.000 12.371 . 56 LEU AAA HD23 c 1 ATOM 905 C C . LEU AAA 1 56 C . LEU 56 1.987 19.455 19.896 1.000 10.473 . 56 LEU AAA C . 1 ATOM 906 O O . LEU AAA 1 56 O . LEU 56 1.936 20.276 20.819 1.000 10.568 . 56 LEU AAA O . 1 ATOM 908 N N . GLN AAA 1 57 N . GLN 57 3.035 18.682 19.672 1.000 10.878 . 57 GLN AAA N . 1 ATOM 909 H H . GLN AAA 1 57 H . GLN 57 3.044 18.031 19.039 1.000 10.826 . 57 GLN AAA H c 1 ATOM 910 C CA . GLN AAA 1 57 CA . GLN 57 4.316 18.806 20.421 1.000 11.047 . 57 GLN AAA CA . 1 ATOM 911 H HA . GLN AAA 1 57 HA . GLN 57 4.829 17.978 20.282 1.000 11.115 . 57 GLN AAA HA c 1 ATOM 912 C CB . GLN AAA 1 57 CB . GLN 57 5.104 19.973 19.825 1.000 10.821 . 57 GLN AAA CB . 1 ATOM 913 H HB3 . GLN AAA 1 57 HB3 . GLN 57 5.869 20.171 20.399 1.000 10.756 . 57 GLN AAA HB3 c 1 ATOM 914 H HB2 . GLN AAA 1 57 HB2 . GLN 57 4.528 20.765 19.804 1.000 10.748 . 57 GLN AAA HB2 c 1 ATOM 915 C CG . GLN AAA 1 57 CG . GLN 57 5.585 19.677 18.443 1.000 10.292 . 57 GLN AAA CG . 1 ATOM 916 H HG3 . GLN AAA 1 57 HG3 . GLN 57 5.922 20.503 18.038 1.000 10.390 . 57 GLN AAA HG3 c 1 ATOM 917 H HG2 . GLN AAA 1 57 HG2 . GLN 57 4.834 19.359 17.898 1.000 10.391 . 57 GLN AAA HG2 c 1 ATOM 918 C CD . GLN AAA 1 57 CD . GLN 57 6.677 18.642 18.430 1.000 10.191 . 57 GLN AAA CD . 1 ATOM 919 O OE1 . GLN AAA 1 57 OE1 . GLN 57 7.842 18.980 18.690 1.000 11.420 . 57 GLN AAA OE1 . 1 ATOM 920 N NE2 . GLN AAA 1 57 NE2 . GLN 57 6.336 17.370 18.112 1.000 9.704 . 57 GLN AAA NE2 . 1 ATOM 921 H HE21 . GLN AAA 1 57 HE21 . GLN 57 6.960 16.743 18.084 0.000 10.020 . 57 GLN AAA HE21 c 1 ATOM 922 H HE22 . GLN AAA 1 57 HE22 . GLN 57 5.500 17.174 17.918 0.000 10.020 . 57 GLN AAA HE22 c 1 ATOM 923 C C . GLN AAA 1 57 C . GLN 57 4.097 18.982 21.913 1.000 11.852 . 57 GLN AAA C . 1 ATOM 924 O O . GLN AAA 1 57 O . GLN 57 4.561 19.974 22.508 1.000 11.826 . 57 GLN AAA O . 1 ATOM 926 N N . ILE AAA 1 58 N . ILE 58 3.474 17.984 22.517 1.000 12.364 . 58 ILE AAA N . 1 ATOM 927 H H . ILE AAA 1 58 H . ILE 58 3.163 17.257 22.064 1.000 12.288 . 58 ILE AAA H c 1 ATOM 928 C CA . ILE AAA 1 58 CA . ILE 58 3.217 17.927 23.975 1.000 12.583 . 58 ILE AAA CA . 1 ATOM 929 H HA . ILE AAA 1 58 HA . ILE 58 2.942 18.815 24.263 1.000 12.413 . 58 ILE AAA HA c 1 ATOM 930 C CB . ILE AAA 1 58 CB . ILE 58 2.061 16.971 24.255 1.000 11.970 . 58 ILE AAA CB . 1 ATOM 931 H HB . ILE AAA 1 58 HB . ILE 58 2.242 16.107 23.815 1.000 12.339 . 58 ILE AAA HB c 1 ATOM 932 C CG1 . ILE AAA 1 58 CG1 . ILE 58 0.766 17.559 23.695 1.000 12.285 . 58 ILE AAA CG1 . 1 ATOM 933 H HG12 . ILE AAA 1 58 HG12 . ILE 58 0.891 17.745 22.741 1.000 12.324 . 58 ILE AAA HG12 c 1 ATOM 934 H HG13 . ILE AAA 1 58 HG13 . ILE 58 0.588 18.412 24.146 1.000 12.323 . 58 ILE AAA HG13 c 1 ATOM 935 C CG2 . ILE AAA 1 58 CG2 . ILE 58 1.948 16.761 25.755 1.000 12.976 . 58 ILE AAA CG2 . 1 ATOM 936 H HG21 . ILE AAA 1 58 HG21 . ILE 58 2.757 16.339 26.089 1.000 12.657 . 58 ILE AAA HG21 c 1 ATOM 937 H HG22 . ILE AAA 1 58 HG22 . ILE 58 1.187 16.189 25.948 1.000 12.657 . 58 ILE AAA HG22 c 1 ATOM 938 C CD1 . ILE AAA 1 58 CD1 . ILE 58 -0.432 16.676 23.854 1.000 12.776 . 58 ILE AAA CD1 . 1 ATOM 939 H HD11 . ILE AAA 1 58 HD11 . ILE 58 -0.200 15.762 23.602 1.000 12.623 . 58 ILE AAA HD11 c 1 ATOM 940 H HD12 . ILE AAA 1 58 HD12 . ILE 58 -1.153 16.999 23.281 1.000 12.623 . 58 ILE AAA HD12 c 1 ATOM 941 H HD13 . ILE AAA 1 58 HD13 . ILE 58 -0.726 16.692 24.783 1.000 12.623 . 58 ILE AAA HD13 c 1 ATOM 942 H HG23 . ILE AAA 1 58 HG23 . ILE 58 1.826 17.620 26.197 1.000 12.657 . 58 ILE AAA HG23 c 1 ATOM 943 C C . ILE AAA 1 58 C . ILE 58 4.519 17.574 24.697 1.000 12.509 . 58 ILE AAA C . 1 ATOM 944 O O . ILE AAA 1 58 O . ILE 58 5.154 16.589 24.379 1.000 11.276 . 58 ILE AAA O . 1 ATOM 946 N N . ASN AAA 1 59 N . ASN 59 4.812 18.373 25.725 1.000 12.804 . 59 ASN AAA N . 1 ATOM 947 H H . ASN AAA 1 59 H . ASN 59 4.227 19.008 26.016 1.000 12.826 . 59 ASN AAA H c 1 ATOM 948 C CA . ASN AAA 1 59 CA . ASN 59 6.046 18.338 26.513 1.000 13.168 . 59 ASN AAA CA . 1 ATOM 949 H HA . ASN AAA 1 59 HA . ASN 59 6.794 18.163 25.895 1.000 13.330 . 59 ASN AAA HA c 1 ATOM 950 C CB . ASN AAA 1 59 CB . ASN 59 6.270 19.716 27.116 1.000 14.846 . 59 ASN AAA CB . 1 ATOM 951 H HB3 . ASN AAA 1 59 HB3 . ASN 59 5.661 19.834 27.874 1.000 14.541 . 59 ASN AAA HB3 c 1 ATOM 952 H HB2 . ASN AAA 1 59 HB2 . ASN 59 6.056 20.396 26.445 1.000 14.542 . 59 ASN AAA HB2 c 1 ATOM 953 C CG . ASN AAA 1 59 CG . ASN 59 7.686 19.920 27.586 1.000 15.346 . 59 ASN AAA CG . 1 ATOM 954 O OD1 . ASN AAA 1 59 OD1 . ASN 59 8.316 18.959 28.046 1.000 19.697 . 59 ASN AAA OD1 . 1 ATOM 955 N ND2 . ASN AAA 1 59 ND2 . ASN 59 8.182 21.154 27.458 1.000 17.953 . 59 ASN AAA ND2 . 1 ATOM 956 H HD21 . ASN AAA 1 59 HD21 . ASN 59 9.004 21.332 27.710 0.000 17.950 . 59 ASN AAA HD21 c 1 ATOM 957 H HD22 . ASN AAA 1 59 HD22 . ASN 59 7.675 21.796 27.110 0.000 17.950 . 59 ASN AAA HD22 c 1 ATOM 958 C C . ASN AAA 1 59 C . ASN 59 6.056 17.256 27.605 1.000 12.828 . 59 ASN AAA C . 1 ATOM 959 O O . ASN AAA 1 59 O . ASN 59 5.169 17.160 28.455 1.000 13.275 . 59 ASN AAA O . 1 ATOM 961 N N . SER AAA 1 60 N . SER 60 7.126 16.472 27.630 1.000 13.062 . 60 SER AAA N . 1 ATOM 962 H H . SER AAA 1 60 H . SER 60 7.798 16.526 27.017 1.000 12.863 . 60 SER AAA H c 1 ATOM 963 C CA . SER AAA 1 60 CA . SER 60 7.375 15.422 28.646 1.000 12.480 . 60 SER AAA CA . 1 ATOM 964 H HA . SER AAA 1 60 HA . SER 60 6.557 14.859 28.711 1.000 12.559 . 60 SER AAA HA c 1 ATOM 965 C CB . SER AAA 1 60 CB . SER 60 8.516 14.550 28.191 1.000 11.805 . 60 SER AAA CB . 1 ATOM 966 H HB3 . SER AAA 1 60 HB3 . SER 60 8.329 14.233 27.281 1.000 11.642 . 60 SER AAA HB3 c 1 ATOM 967 H HB2 . SER AAA 1 60 HB2 . SER 60 8.563 13.759 28.776 1.000 11.644 . 60 SER AAA HB2 c 1 ATOM 968 O OG . SER AAA 1 60 OG . SER 60 9.780 15.204 28.202 1.000 10.535 . 60 SER AAA OG . 1 ATOM 969 H HG . SER AAA 1 60 HG . SER 60 10.359 14.639 27.928 0.000 10.500 . 60 SER AAA HG c 1 ATOM 970 C C . SER AAA 1 60 C . SER 60 7.649 16.039 30.046 1.000 13.026 . 60 SER AAA C . 1 ATOM 971 O O . SER AAA 1 60 O . SER 60 7.732 15.306 31.037 1.000 13.412 . 60 SER AAA O . 1 ATOM 973 N N . ARG AAA 1 61 N . ARG 61 7.894 17.336 30.145 1.000 13.234 . 61 ARG AAA N . 1 ATOM 974 H H . ARG AAA 1 61 H . ARG 61 7.911 17.898 29.432 1.000 13.302 . 61 ARG AAA H c 1 ATOM 975 C CA . ARG AAA 1 61 CA . ARG 61 8.199 17.985 31.441 1.000 13.697 . 61 ARG AAA CA . 1 ATOM 976 H HA . ARG AAA 1 61 HA . ARG 61 8.959 17.510 31.849 1.000 13.853 . 61 ARG AAA HA c 1 ATOM 977 C CB . ARG AAA 1 61 CB . ARG 61 8.607 19.460 31.219 1.000 14.908 . 61 ARG AAA CB . 1 ATOM 978 H HB3 . ARG AAA 1 61 HB3 . ARG 61 7.917 19.889 30.671 1.000 14.775 . 61 ARG AAA HB3 c 1 ATOM 979 H HB2 . ARG AAA 1 61 HB2 . ARG 61 9.442 19.473 30.707 1.000 14.778 . 61 ARG AAA HB2 c 1 ATOM 980 C CG . ARG AAA 1 61 CG . ARG 61 8.804 20.293 32.486 1.000 15.636 . 61 ARG AAA CG . 1 ATOM 981 H HG3 . ARG AAA 1 61 HG3 . ARG 61 8.123 20.043 33.143 1.000 15.532 . 61 ARG AAA HG3 c 1 ATOM 982 H HG2 . ARG AAA 1 61 HG2 . ARG 61 8.659 21.237 32.264 1.000 15.524 . 61 ARG AAA HG2 c 1 ATOM 983 C CD . ARG AAA 1 61 CD . ARG 61 10.156 20.163 33.115 0.500 15.897 . 61 ARG AAA CD . 1 ATOM 984 H HD3 . ARG AAA 1 61 HD3 . ARG 61 10.812 20.642 32.565 0.500 15.789 . 61 ARG AAA HD3 c 1 ATOM 985 H HD2 . ARG AAA 1 61 HD2 . ARG 61 10.412 19.216 33.128 0.500 15.789 . 61 ARG AAA HD2 c 1 ATOM 986 N NE . ARG AAA 1 61 NE . ARG 61 10.202 20.685 34.468 0.500 15.701 . 61 ARG AAA NE . 1 ATOM 987 H HE . ARG AAA 1 61 HE . ARG 61 10.686 21.395 34.614 0.500 16.006 . 61 ARG AAA HE c 1 ATOM 988 C CZ . ARG AAA 1 61 CZ . ARG 61 9.633 20.104 35.513 0.500 16.490 . 61 ARG AAA CZ . 1 ATOM 989 N NH1 . ARG AAA 1 61 NH1 . ARG 61 8.872 19.026 35.382 0.500 17.966 . 61 ARG AAA NH1 . 1 ATOM 990 H HH11 . ARG AAA 1 61 HH11 . ARG 61 8.786 18.640 34.599 0.500 17.394 . 61 ARG AAA HH11 c 1 ATOM 991 H HH12 . ARG AAA 1 61 HH12 . ARG 61 8.493 18.673 36.092 0.500 17.402 . 61 ARG AAA HH12 c 1 ATOM 992 N NH2 . ARG AAA 1 61 NH2 . ARG 61 9.742 20.657 36.695 0.500 16.968 . 61 ARG AAA NH2 . 1 ATOM 993 H HH21 . ARG AAA 1 61 HH21 . ARG 61 10.226 21.386 36.796 0.500 16.810 . 61 ARG AAA HH21 c 1 ATOM 994 H HH22 . ARG AAA 1 61 HH22 . ARG 61 9.343 20.289 37.389 0.500 16.810 . 61 ARG AAA HH22 c 1 ATOM 995 C C . ARG AAA 1 61 C . ARG 61 6.977 17.839 32.372 1.000 13.794 . 61 ARG AAA C . 1 ATOM 996 O O . ARG AAA 1 61 O . ARG 61 7.132 17.683 33.599 1.000 14.065 . 61 ARG AAA O . 1 ATOM 998 N N . TRP AAA 1 62 N . TRP 62 5.762 17.945 31.836 1.000 14.678 . 62 TRP AAA N . 1 ATOM 999 H H . TRP AAA 1 62 H . TRP 62 5.626 18.036 30.941 1.000 14.268 . 62 TRP AAA H c 1 ATOM 1000 C CA . TRP AAA 1 62 CA . TRP 62 4.509 17.969 32.620 1.000 13.878 . 62 TRP AAA CA . 1 ATOM 1001 H HA . TRP AAA 1 62 HA . TRP 62 4.741 17.775 33.557 1.000 14.199 . 62 TRP AAA HA c 1 ATOM 1002 C CB . TRP AAA 1 62 CB . TRP 62 3.858 19.335 32.590 1.000 14.753 . 62 TRP AAA CB . 1 ATOM 1003 H HB3 . TRP AAA 1 62 HB3 . TRP 62 3.098 19.322 33.208 1.000 14.978 . 62 TRP AAA HB3 c 1 ATOM 1004 H HB2 . TRP AAA 1 62 HB2 . TRP 62 3.502 19.481 31.689 1.000 14.982 . 62 TRP AAA HB2 c 1 ATOM 1005 C CG . TRP AAA 1 62 CG . TRP 62 4.744 20.476 32.945 1.000 16.735 . 62 TRP AAA CG . 1 ATOM 1006 C CD1 . TRP AAA 1 62 CD1 . TRP 62 5.069 21.504 32.122 1.000 17.176 . 62 TRP AAA CD1 . 1 ATOM 1007 H HD1 . TRP AAA 1 62 HD1 . TRP 62 4.781 21.603 31.227 1.000 17.482 . 62 TRP AAA HD1 c 1 ATOM 1008 N NE1 . TRP AAA 1 62 NE1 . TRP 62 5.903 22.368 32.770 1.000 18.229 . 62 TRP AAA NE1 . 1 ATOM 1009 H HE1 . TRP AAA 1 62 HE1 . TRP 62 6.225 23.106 32.423 1.000 18.185 . 62 TRP AAA HE1 c 1 ATOM 1010 C CE2 . TRP AAA 1 62 CE2 . TRP 62 6.105 21.950 34.062 1.000 18.913 . 62 TRP AAA CE2 . 1 ATOM 1011 C CD2 . TRP AAA 1 62 CD2 . TRP 62 5.414 20.729 34.207 1.000 17.996 . 62 TRP AAA CD2 . 1 ATOM 1012 C CE3 . TRP AAA 1 62 CE3 . TRP 62 5.464 20.055 35.419 1.000 18.290 . 62 TRP AAA CE3 . 1 ATOM 1013 H HE3 . TRP AAA 1 62 HE3 . TRP 62 4.984 19.252 35.545 1.000 18.586 . 62 TRP AAA HE3 c 1 ATOM 1014 C CZ3 . TRP AAA 1 62 CZ3 . TRP 62 6.192 20.606 36.435 1.000 20.013 . 62 TRP AAA CZ3 . 1 ATOM 1015 H HZ3 . TRP AAA 1 62 HZ3 . TRP 62 6.248 20.154 37.262 1.000 19.395 . 62 TRP AAA HZ3 c 1 ATOM 1016 C CH2 . TRP AAA 1 62 CH2 . TRP 62 6.923 21.792 36.253 1.000 19.861 . 62 TRP AAA CH2 . 1 ATOM 1017 H HH2 . TRP AAA 1 62 HH2 . TRP 62 7.415 22.143 36.974 1.000 19.916 . 62 TRP AAA HH2 c 1 ATOM 1018 C CZ2 . TRP AAA 1 62 CZ2 . TRP 62 6.876 22.498 35.066 1.000 21.136 . 62 TRP AAA CZ2 . 1 ATOM 1019 H HZ2 . TRP AAA 1 62 HZ2 . TRP 62 7.352 23.301 34.943 1.000 20.014 . 62 TRP AAA HZ2 c 1 ATOM 1020 C C . TRP AAA 1 62 C . TRP 62 3.462 16.946 32.167 1.000 13.899 . 62 TRP AAA C . 1 ATOM 1021 O O . TRP AAA 1 62 O . TRP 62 2.701 16.486 33.047 1.000 13.627 . 62 TRP AAA O . 1 ATOM 1023 N N . TRP AAA 1 63 N . TRP 63 3.369 16.616 30.886 1.000 13.302 . 63 TRP AAA N . 1 ATOM 1024 H H . TRP AAA 1 63 H . TRP 63 4.016 16.783 30.269 1.000 13.467 . 63 TRP AAA H c 1 ATOM 1025 C CA . TRP AAA 1 63 CA . TRP 63 2.175 15.906 30.343 1.000 13.415 . 63 TRP AAA CA . 1 ATOM 1026 H HA . TRP AAA 1 63 HA . TRP 63 1.450 16.019 31.001 1.000 13.236 . 63 TRP AAA HA c 1 ATOM 1027 C CB . TRP AAA 1 63 CB . TRP 63 1.751 16.640 29.099 1.000 12.467 . 63 TRP AAA CB . 1 ATOM 1028 H HB3 . TRP AAA 1 63 HB3 . TRP 63 0.885 16.298 28.806 1.000 12.665 . 63 TRP AAA HB3 c 1 ATOM 1029 H HB2 . TRP AAA 1 63 HB2 . TRP 63 2.407 16.475 28.393 1.000 12.666 . 63 TRP AAA HB2 c 1 ATOM 1030 C CG . TRP AAA 1 63 CG . TRP 63 1.655 18.100 29.370 1.000 12.386 . 63 TRP AAA CG . 1 ATOM 1031 C CD1 . TRP AAA 1 63 CD1 . TRP 63 2.498 19.100 28.933 1.000 12.277 . 63 TRP AAA CD1 . 1 ATOM 1032 H HD1 . TRP AAA 1 63 HD1 . TRP 63 3.273 18.984 28.407 1.000 12.495 . 63 TRP AAA HD1 c 1 ATOM 1033 N NE1 . TRP AAA 1 63 NE1 . TRP 63 2.072 20.293 29.462 1.000 12.726 . 63 TRP AAA NE1 . 1 ATOM 1034 H HE1 . TRP AAA 1 63 HE1 . TRP 63 2.449 21.065 29.316 1.000 12.717 . 63 TRP AAA HE1 c 1 ATOM 1035 C CE2 . TRP AAA 1 63 CE2 . TRP 63 0.933 20.096 30.185 1.000 12.837 . 63 TRP AAA CE2 . 1 ATOM 1036 C CD2 . TRP AAA 1 63 CD2 . TRP 63 0.652 18.711 30.185 1.000 12.123 . 63 TRP AAA CD2 . 1 ATOM 1037 C CE3 . TRP AAA 1 63 CE3 . TRP 63 -0.483 18.230 30.868 1.000 13.273 . 63 TRP AAA CE3 . 1 ATOM 1038 H HE3 . TRP AAA 1 63 HE3 . TRP 63 -0.690 17.310 30.871 1.000 13.181 . 63 TRP AAA HE3 c 1 ATOM 1039 C CZ3 . TRP AAA 1 63 CZ3 . TRP 63 -1.275 19.141 31.553 1.000 14.247 . 63 TRP AAA CZ3 . 1 ATOM 1040 H HZ3 . TRP AAA 1 63 HZ3 . TRP 63 -2.024 18.836 32.040 1.000 13.793 . 63 TRP AAA HZ3 c 1 ATOM 1041 C CH2 . TRP AAA 1 63 CH2 . TRP 63 -0.946 20.504 31.578 1.000 13.918 . 63 TRP AAA CH2 . 1 ATOM 1042 H HH2 . TRP AAA 1 63 HH2 . TRP 63 -1.504 21.096 32.050 1.000 13.653 . 63 TRP AAA HH2 c 1 ATOM 1043 C CZ2 . TRP AAA 1 63 CZ2 . TRP 63 0.156 21.020 30.911 1.000 12.997 . 63 TRP AAA CZ2 . 1 ATOM 1044 H HZ2 . TRP AAA 1 63 HZ2 . TRP 63 0.350 21.941 30.906 1.000 13.142 . 63 TRP AAA HZ2 c 1 ATOM 1045 C C . TRP AAA 1 63 C . TRP 63 2.293 14.406 30.041 1.000 13.563 . 63 TRP AAA C . 1 ATOM 1046 O O . TRP AAA 1 63 O . TRP 63 1.293 13.719 30.118 1.000 13.566 . 63 TRP AAA O . 1 ATOM 1048 N N . CYS AAA 1 64 N . CYS 64 3.467 13.877 29.715 1.000 14.386 . 64 CYS AAA N . 1 ATOM 1049 H H . CYS AAA 1 64 H . CYS 64 4.252 14.338 29.671 1.000 14.019 . 64 CYS AAA H c 1 ATOM 1050 C CA . CYS AAA 1 64 CA . CYS 64 3.601 12.464 29.380 1.000 13.690 . 64 CYS AAA CA . 1 ATOM 1051 H HA . CYS AAA 1 64 HA . CYS 64 2.865 11.979 29.811 1.000 13.703 . 64 CYS AAA HA c 1 ATOM 1052 C CB . CYS AAA 1 64 CB . CYS 64 3.491 12.245 27.869 1.000 13.761 . 64 CYS AAA CB . 1 ATOM 1053 H HB3 . CYS AAA 1 64 HB3 . CYS 64 2.621 12.576 27.563 1.000 13.423 . 64 CYS AAA HB3 c 1 ATOM 1054 H HB2 . CYS AAA 1 64 HB2 . CYS 64 3.527 11.285 27.684 1.000 13.424 . 64 CYS AAA HB2 c 1 ATOM 1055 S SG . CYS AAA 1 64 SG . CYS 64 4.790 13.066 26.897 1.000 12.447 . 64 CYS AAA SG . 1 ATOM 1056 C C . CYS AAA 1 64 C . CYS 64 4.914 11.905 29.909 1.000 13.025 . 64 CYS AAA C . 1 ATOM 1057 O O . CYS AAA 1 64 O . CYS 64 5.825 12.681 30.225 1.000 13.386 . 64 CYS AAA O . 1 ATOM 1059 N N . ASN AAA 1 65 N . ASN 65 4.991 10.590 29.981 1.000 14.067 . 65 ASN AAA N . 1 ATOM 1060 H H . ASN AAA 1 65 H . ASN 65 4.326 10.022 29.728 1.000 13.683 . 65 ASN AAA H c 1 ATOM 1061 C CA . ASN AAA 1 65 CA . ASN 65 6.214 9.955 30.499 1.000 13.506 . 65 ASN AAA CA . 1 ATOM 1062 H HA . ASN AAA 1 65 HA . ASN 65 6.728 10.622 31.008 1.000 13.756 . 65 ASN AAA HA c 1 ATOM 1063 C CB . ASN AAA 1 65 CB . ASN 65 5.880 8.810 31.436 1.000 14.511 . 65 ASN AAA CB . 1 ATOM 1064 H HB3 . ASN AAA 1 65 HB3 . ASN 65 5.254 8.200 30.996 1.000 14.240 . 65 ASN AAA HB3 c 1 ATOM 1065 H HB2 . ASN AAA 1 65 HB2 . ASN 65 5.456 9.163 32.245 1.000 14.236 . 65 ASN AAA HB2 c 1 ATOM 1066 C CG . ASN AAA 1 65 CG . ASN 65 7.145 8.064 31.807 1.000 14.372 . 65 ASN AAA CG . 1 ATOM 1067 O OD1 . ASN AAA 1 65 OD1 . ASN 65 7.235 6.864 31.504 1.000 16.419 . 65 ASN AAA OD1 . 1 ATOM 1068 N ND2 . ASN AAA 1 65 ND2 . ASN 65 8.113 8.746 32.395 1.000 15.241 . 65 ASN AAA ND2 . 1 ATOM 1069 H HD21 . ASN AAA 1 65 HD21 . ASN 65 8.858 8.339 32.623 0.000 15.140 . 65 ASN AAA HD21 c 1 ATOM 1070 H HD22 . ASN AAA 1 65 HD22 . ASN 65 8.004 9.607 32.531 0.000 15.140 . 65 ASN AAA HD22 c 1 ATOM 1071 C C . ASN AAA 1 65 C . ASN 65 7.077 9.416 29.376 1.000 13.251 . 65 ASN AAA C . 1 ATOM 1072 O O . ASN AAA 1 65 O . ASN 65 6.566 8.586 28.610 1.000 12.590 . 65 ASN AAA O . 1 ATOM 1074 N N . ASP AAA 1 66 N . ASP 66 8.321 9.857 29.256 1.000 13.578 . 66 ASP AAA N . 1 ATOM 1075 H H . ASP AAA 1 66 H . ASP 66 8.671 10.533 29.757 1.000 13.542 . 66 ASP AAA H c 1 ATOM 1076 C CA . ASP AAA 1 66 CA . ASP 66 9.230 9.284 28.245 1.000 13.759 . 66 ASP AAA CA . 1 ATOM 1077 H HA . ASP AAA 1 66 HA . ASP 66 8.724 8.599 27.750 1.000 13.451 . 66 ASP AAA HA c 1 ATOM 1078 C CB . ASP AAA 1 66 CB . ASP 66 9.666 10.319 27.224 1.000 12.658 . 66 ASP AAA CB . 1 ATOM 1079 H HB3 . ASP AAA 1 66 HB3 . ASP 66 8.871 10.705 26.808 1.000 13.040 . 66 ASP AAA HB3 c 1 ATOM 1080 H HB2 . ASP AAA 1 66 HB2 . ASP 66 10.179 9.866 26.524 1.000 13.045 . 66 ASP AAA HB2 c 1 ATOM 1081 C CG . ASP AAA 1 66 CG . ASP 66 10.519 11.462 27.760 1.000 13.223 . 66 ASP AAA CG . 1 ATOM 1082 O OD1 . ASP AAA 1 66 OD1 . ASP 66 10.901 11.449 28.973 1.000 11.631 . 66 ASP AAA OD1 . 1 ATOM 1083 O OD2 . ASP AAA 1 66 OD2 . ASP 66 10.856 12.336 26.939 1.000 11.956 . 66 ASP AAA OD2 . 1 ATOM 1084 C C . ASP AAA 1 66 C . ASP 66 10.418 8.572 28.918 1.000 13.473 . 66 ASP AAA C . 1 ATOM 1085 O O . ASP AAA 1 66 O . ASP 66 11.330 8.140 28.224 1.000 14.748 . 66 ASP AAA O . 1 ATOM 1087 N N . GLY AAA 1 67 N . GLY 67 10.438 8.535 30.241 1.000 13.521 . 67 GLY AAA N . 1 ATOM 1088 H H . GLY AAA 1 67 H . GLY 67 9.810 8.946 30.748 1.000 13.454 . 67 GLY AAA H c 1 ATOM 1089 C CA . GLY AAA 1 67 CA . GLY 67 11.471 7.853 31.021 1.000 13.259 . 67 GLY AAA CA . 1 ATOM 1090 H HA3 . GLY AAA 1 67 HA3 . GLY 67 11.572 6.931 30.675 1.000 13.709 . 67 GLY AAA HA3 c 1 ATOM 1091 H HA2 . GLY AAA 1 67 HA2 . GLY 67 11.167 7.789 31.961 1.000 13.709 . 67 GLY AAA HA2 c 1 ATOM 1092 C C . GLY AAA 1 67 C . GLY 67 12.834 8.553 30.984 1.000 14.984 . 67 GLY AAA C . 1 ATOM 1093 O O . GLY AAA 1 67 O . GLY 67 13.786 8.002 31.548 1.000 14.889 . 67 GLY AAA O . 1 ATOM 1095 N N . ARG AAA 1 68 N . ARG 68 12.935 9.739 30.371 1.000 15.096 . 68 ARG AAA N . 1 ATOM 1096 H H . ARG AAA 1 68 H . ARG 68 12.247 10.182 29.975 1.000 14.921 . 68 ARG AAA H c 1 ATOM 1097 C CA . ARG AAA 1 68 CA . ARG 68 14.248 10.429 30.340 1.000 14.495 . 68 ARG AAA CA . 1 ATOM 1098 H HA . ARG AAA 1 68 HA . ARG 68 14.823 10.024 31.030 1.000 14.868 . 68 ARG AAA HA c 1 ATOM 1099 C CB . ARG AAA 1 68 CB . ARG 68 14.882 10.162 28.976 1.000 15.493 . 68 ARG AAA CB . 1 ATOM 1100 H HB3 . ARG AAA 1 68 HB3 . ARG 68 14.813 9.204 28.778 1.000 15.549 . 68 ARG AAA HB3 c 1 ATOM 1101 H HB2 . ARG AAA 1 68 HB2 . ARG 68 15.833 10.394 29.020 1.000 15.555 . 68 ARG AAA HB2 c 1 ATOM 1102 C CG . ARG AAA 1 68 CG . ARG 68 14.230 10.946 27.851 1.000 16.808 . 68 ARG AAA CG . 1 ATOM 1103 H HG3 . ARG AAA 1 68 HG3 . ARG 68 14.087 11.875 28.123 1.000 16.598 . 68 ARG AAA HG3 c 1 ATOM 1104 H HG2 . ARG AAA 1 68 HG2 . ARG 68 13.360 10.549 27.629 1.000 16.602 . 68 ARG AAA HG2 c 1 ATOM 1105 C CD . ARG AAA 1 68 CD . ARG 68 15.122 10.912 26.636 1.000 17.312 . 68 ARG AAA CD . 1 ATOM 1106 H HD3 . ARG AAA 1 68 HD3 . ARG 68 15.071 10.019 26.233 1.000 17.345 . 68 ARG AAA HD3 c 1 ATOM 1107 H HD2 . ARG AAA 1 68 HD2 . ARG 68 16.051 11.061 26.914 1.000 17.325 . 68 ARG AAA HD2 c 1 ATOM 1108 N NE . ARG AAA 1 68 NE . ARG 68 14.769 11.893 25.648 1.000 17.915 . 68 ARG AAA NE . 1 ATOM 1109 H HE . ARG AAA 1 68 HE . ARG 68 14.225 12.532 25.887 1.000 18.401 . 68 ARG AAA HE c 1 ATOM 1110 C CZ . ARG AAA 1 68 CZ . ARG 68 15.248 11.927 24.405 1.000 20.456 . 68 ARG AAA CZ . 1 ATOM 1111 N NH1 . ARG AAA 1 68 NH1 . ARG 68 16.093 10.987 24.006 1.000 19.608 . 68 ARG AAA NH1 . 1 ATOM 1112 H HH11 . ARG AAA 1 68 HH11 . ARG 68 16.346 10.353 24.557 1.000 19.760 . 68 ARG AAA HH11 c 1 ATOM 1113 H HH12 . ARG AAA 1 68 HH12 . ARG 68 16.417 11.013 23.191 1.000 19.767 . 68 ARG AAA HH12 c 1 ATOM 1114 N NH2 . ARG AAA 1 68 NH2 . ARG 68 14.877 12.921 23.586 1.000 19.329 . 68 ARG AAA NH2 . 1 ATOM 1115 H HH21 . ARG AAA 1 68 HH21 . ARG 68 14.305 13.528 23.867 1.000 19.565 . 68 ARG AAA HH21 c 1 ATOM 1116 H HH22 . ARG AAA 1 68 HH22 . ARG 68 15.179 12.945 22.759 1.000 19.577 . 68 ARG AAA HH22 c 1 ATOM 1117 C C . ARG AAA 1 68 C . ARG 68 14.167 11.925 30.618 1.000 14.875 . 68 ARG AAA C . 1 ATOM 1118 O O . ARG AAA 1 68 O . ARG 68 14.988 12.697 30.118 1.000 15.784 . 68 ARG AAA O . 1 ATOM 1120 N N . THR AAA 1 69 N . THR 69 13.175 12.350 31.387 1.000 16.087 . 69 THR AAA N . 1 ATOM 1121 H H . THR AAA 1 69 H . THR 69 12.524 11.806 31.717 1.000 15.654 . 69 THR AAA H c 1 ATOM 1122 C CA . THR AAA 1 69 CA . THR 69 13.009 13.755 31.794 1.000 15.495 . 69 THR AAA CA . 1 ATOM 1123 H HA . THR AAA 1 69 HA . THR 69 13.800 14.270 31.516 1.000 15.928 . 69 THR AAA HA c 1 ATOM 1124 C CB . THR AAA 1 69 CB . THR 69 11.742 14.378 31.154 1.000 16.053 . 69 THR AAA CB . 1 ATOM 1125 H HB . THR AAA 1 69 HB . THR 69 10.962 13.997 31.622 1.000 15.347 . 69 THR AAA HB c 1 ATOM 1126 O OG1 . THR AAA 1 69 OG1 . THR 69 11.605 14.065 29.764 1.000 14.121 . 69 THR AAA OG1 . 1 ATOM 1127 H HG1 . THR AAA 1 69 HG1 . THR 69 10.888 14.425 29.452 0.000 14.130 . 69 THR AAA HG1 c 1 ATOM 1128 C CG2 . THR AAA 1 69 CG2 . THR 69 11.707 15.881 31.348 1.000 14.901 . 69 THR AAA CG2 . 1 ATOM 1129 H HG21 . THR AAA 1 69 HG21 . THR 69 11.840 16.092 32.290 1.000 15.254 . 69 THR AAA HG21 c 1 ATOM 1130 H HG22 . THR AAA 1 69 HG22 . THR 69 10.844 16.227 31.056 1.000 15.248 . 69 THR AAA HG22 c 1 ATOM 1131 H HG23 . THR AAA 1 69 HG23 . THR 69 12.417 16.293 30.821 1.000 15.248 . 69 THR AAA HG23 c 1 ATOM 1132 C C . THR AAA 1 69 C . THR 69 12.956 13.682 33.314 1.000 16.622 . 69 THR AAA C . 1 ATOM 1133 O O . THR AAA 1 69 O . THR 69 11.877 13.873 33.890 1.000 15.337 . 69 THR AAA O . 1 ATOM 1134 N N . PRO AAA 1 70 N . PRO 70 14.069 13.342 33.986 1.000 16.194 . 70 PRO AAA N . 1 ATOM 1135 C CA . PRO AAA 1 70 CA . PRO 70 14.073 13.172 35.446 1.000 17.021 . 70 PRO AAA CA . 1 ATOM 1136 H HA . PRO AAA 1 70 HA . PRO 70 13.578 12.345 35.672 1.000 16.607 . 70 PRO AAA HA c 1 ATOM 1137 C CB . PRO AAA 1 70 CB . PRO 70 15.564 12.970 35.783 1.000 16.347 . 70 PRO AAA CB . 1 ATOM 1138 H HB3 . PRO AAA 1 70 HB3 . PRO 70 15.781 12.017 35.866 1.000 16.641 . 70 PRO AAA HB3 c 1 ATOM 1139 H HB2 . PRO AAA 1 70 HB2 . PRO 70 15.804 13.427 36.617 1.000 16.641 . 70 PRO AAA HB2 c 1 ATOM 1140 C CG . PRO AAA 1 70 CG . PRO 70 16.277 13.586 34.605 1.000 16.936 . 70 PRO AAA CG . 1 ATOM 1141 H HG3 . PRO AAA 1 70 HG3 . PRO 70 17.178 13.215 34.508 1.000 17.064 . 70 PRO AAA HG3 c 1 ATOM 1142 H HG2 . PRO AAA 1 70 HG2 . PRO 70 16.343 14.558 34.705 1.000 17.064 . 70 PRO AAA HG2 c 1 ATOM 1143 C CD . PRO AAA 1 70 CD . PRO 70 15.418 13.226 33.418 1.000 18.117 . 70 PRO AAA CD . 1 ATOM 1144 H HD3 . PRO AAA 1 70 HD3 . PRO 70 15.597 12.318 33.111 1.000 17.361 . 70 PRO AAA HD3 c 1 ATOM 1145 H HD2 . PRO AAA 1 70 HD2 . PRO 70 15.553 13.850 32.682 1.000 17.358 . 70 PRO AAA HD2 c 1 ATOM 1146 C C . PRO AAA 1 70 C . PRO 70 13.426 14.368 36.146 1.000 16.373 . 70 PRO AAA C . 1 ATOM 1147 O O . PRO AAA 1 70 O . PRO 70 13.622 15.531 35.784 1.000 17.639 . 70 PRO AAA O . 1 ATOM 1149 N N . GLY AAA 1 71 N . GLY 71 12.568 14.082 37.099 1.000 16.320 . 71 GLY AAA N . 1 ATOM 1150 H H . GLY AAA 1 71 H . GLY 71 12.345 13.223 37.305 1.000 16.449 . 71 GLY AAA H c 1 ATOM 1151 C CA . GLY AAA 1 71 CA . GLY 71 11.876 15.088 37.932 1.000 16.814 . 71 GLY AAA CA . 1 ATOM 1152 H HA3 . GLY AAA 1 71 HA3 . GLY 71 12.498 15.836 38.117 1.000 16.847 . 71 GLY AAA HA3 c 1 ATOM 1153 H HA2 . GLY AAA 1 71 HA2 . GLY 71 11.634 14.674 38.798 1.000 16.846 . 71 GLY AAA HA2 c 1 ATOM 1154 C C . GLY AAA 1 71 C . GLY 71 10.625 15.629 37.271 1.000 17.465 . 71 GLY AAA C . 1 ATOM 1155 O O . GLY AAA 1 71 O . GLY 71 9.986 16.567 37.806 1.000 18.043 . 71 GLY AAA O . 1 ATOM 1157 N N . SER AAA 1 72 N . SER 72 10.224 15.074 36.130 1.000 16.432 . 72 SER AAA N . 1 ATOM 1158 H H . SER AAA 1 72 H . SER 72 10.622 14.357 35.735 1.000 16.784 . 72 SER AAA H c 1 ATOM 1159 C CA . SER AAA 1 72 CA . SER 72 9.042 15.568 35.382 1.000 16.925 . 72 SER AAA CA . 1 ATOM 1160 H HA . SER AAA 1 72 HA . SER 72 8.971 16.545 35.529 1.000 16.848 . 72 SER AAA HA c 1 ATOM 1161 C CB . SER AAA 1 72 CB . SER 72 9.237 15.320 33.888 1.000 17.109 . 72 SER AAA CB . 1 ATOM 1162 H HB3 . SER AAA 1 72 HB3 . SER 72 10.104 15.688 33.612 1.000 17.098 . 72 SER AAA HB3 c 1 ATOM 1163 H HB2 . SER AAA 1 72 HB2 . SER 72 8.539 15.792 33.391 1.000 17.083 . 72 SER AAA HB2 c 1 ATOM 1164 O OG . SER AAA 1 72 OG . SER 72 9.187 13.946 33.562 1.000 17.329 . 72 SER AAA OG . 1 ATOM 1165 H HG . SER AAA 1 72 HG . SER 72 9.293 13.852 32.728 0.000 16.890 . 72 SER AAA HG c 1 ATOM 1166 C C . SER AAA 1 72 C . SER 72 7.738 14.921 35.852 1.000 16.796 . 72 SER AAA C . 1 ATOM 1167 O O . SER AAA 1 72 O . SER 72 7.740 13.952 36.641 1.000 16.782 . 72 SER AAA O . 1 ATOM 1169 N N . ARG AAA 1 73 N . ARG 73 6.621 15.462 35.372 1.000 16.361 . 73 ARG AAA N . 1 ATOM 1170 H H . ARG AAA 1 73 H . ARG 73 6.607 16.189 34.823 1.000 16.633 . 73 ARG AAA H c 1 ATOM 1171 C CA . ARG AAA 1 73 CA . ARG 73 5.303 14.911 35.704 1.000 17.093 . 73 ARG AAA CA . 1 ATOM 1172 H HA . ARG AAA 1 73 HA . ARG 73 5.405 14.250 36.426 1.000 16.853 . 73 ARG AAA HA c 1 ATOM 1173 C CB . ARG AAA 1 73 CB . ARG 73 4.392 16.037 36.187 1.000 16.743 . 73 ARG AAA CB . 1 ATOM 1174 H HB3 . ARG AAA 1 73 HB3 . ARG 73 3.525 15.652 36.432 1.000 16.988 . 73 ARG AAA HB3 c 1 ATOM 1175 H HB2 . ARG AAA 1 73 HB2 . ARG 73 4.245 16.660 35.446 1.000 16.975 . 73 ARG AAA HB2 c 1 ATOM 1176 C CG . ARG AAA 1 73 CG . ARG 73 4.942 16.810 37.376 1.000 17.414 . 73 ARG AAA CG . 1 ATOM 1177 H HG3 . ARG AAA 1 73 HG3 . ARG 73 5.650 17.422 37.080 1.000 17.623 . 73 ARG AAA HG3 c 1 ATOM 1178 H HG2 . ARG AAA 1 73 HG2 . ARG 73 5.319 16.188 38.035 1.000 17.623 . 73 ARG AAA HG2 c 1 ATOM 1179 C CD . ARG AAA 1 73 CD . ARG 73 3.817 17.599 38.005 0.500 19.054 . 73 ARG AAA CD . 1 ATOM 1180 H HD3 . ARG AAA 1 73 HD3 . ARG 73 3.046 17.008 38.136 0.500 18.837 . 73 ARG AAA HD3 c 1 ATOM 1181 H HD2 . ARG AAA 1 73 HD2 . ARG 73 3.544 18.311 37.387 0.500 18.844 . 73 ARG AAA HD2 c 1 ATOM 1182 N NE . ARG AAA 1 73 NE . ARG 73 4.167 18.189 39.268 0.500 19.902 . 73 ARG AAA NE . 1 ATOM 1183 H HE . ARG AAA 1 73 HE . ARG 73 4.995 18.122 39.533 0.500 19.779 . 73 ARG AAA HE c 1 ATOM 1184 C CZ . ARG AAA 1 73 CZ . ARG 73 3.295 18.752 40.107 0.500 20.102 . 73 ARG AAA CZ . 1 ATOM 1185 N NH1 . ARG AAA 1 73 NH1 . ARG 73 2.025 18.884 39.777 0.500 21.353 . 73 ARG AAA NH1 . 1 ATOM 1186 H HH11 . ARG AAA 1 73 HH11 . ARG 73 1.735 18.557 39.015 0.500 20.858 . 73 ARG AAA HH11 c 1 ATOM 1187 H HH12 . ARG AAA 1 73 HH12 . ARG 73 1.467 19.271 40.335 0.500 20.858 . 73 ARG AAA HH12 c 1 ATOM 1188 N NH2 . ARG AAA 1 73 NH2 . ARG 73 3.718 19.243 41.245 0.500 19.707 . 73 ARG AAA NH2 . 1 ATOM 1189 H HH21 . ARG AAA 1 73 HH21 . ARG 73 4.568 19.173 41.465 0.500 19.863 . 73 ARG AAA HH21 c 1 ATOM 1190 H HH22 . ARG AAA 1 73 HH22 . ARG 73 3.149 19.637 41.791 0.500 19.863 . 73 ARG AAA HH22 c 1 ATOM 1191 C C . ARG AAA 1 73 C . ARG 73 4.728 14.212 34.469 1.000 16.925 . 73 ARG AAA C . 1 ATOM 1192 O O . ARG AAA 1 73 O . ARG 73 5.279 14.336 33.376 1.000 15.534 . 73 ARG AAA O . 1 ATOM 1194 N N . ASN AAA 1 74 N . ASN 74 3.609 13.518 34.656 1.000 16.566 . 74 ASN AAA N . 1 ATOM 1195 H H . ASN AAA 1 74 H . ASN 74 3.206 13.464 35.472 1.000 16.670 . 74 ASN AAA H c 1 ATOM 1196 C CA . ASN AAA 1 74 CA . ASN 74 2.902 12.760 33.603 1.000 16.676 . 74 ASN AAA CA . 1 ATOM 1197 H HA . ASN AAA 1 74 HA . ASN 74 3.162 13.106 32.717 1.000 16.015 . 74 ASN AAA HA c 1 ATOM 1198 C CB . ASN AAA 1 74 CB . ASN 74 3.268 11.277 33.685 1.000 15.877 . 74 ASN AAA CB . 1 ATOM 1199 H HB3 . ASN AAA 1 74 HB3 . ASN 74 3.076 10.956 34.590 1.000 15.893 . 74 ASN AAA HB3 c 1 ATOM 1200 H HB2 . ASN AAA 1 74 HB2 . ASN 74 4.229 11.183 33.531 1.000 15.897 . 74 ASN AAA HB2 c 1 ATOM 1201 C CG . ASN AAA 1 74 CG . ASN 74 2.527 10.409 32.691 1.000 15.185 . 74 ASN AAA CG . 1 ATOM 1202 O OD1 . ASN AAA 1 74 OD1 . ASN 74 1.991 10.942 31.731 1.000 14.022 . 74 ASN AAA OD1 . 1 ATOM 1203 N ND2 . ASN AAA 1 74 ND2 . ASN 74 2.507 9.092 32.914 1.000 13.583 . 74 ASN AAA ND2 . 1 ATOM 1204 H HD21 . ASN AAA 1 74 HD21 . ASN 74 2.080 8.561 32.352 0.000 13.380 . 74 ASN AAA HD21 c 1 ATOM 1205 H HD22 . ASN AAA 1 74 HD22 . ASN 74 2.907 8.770 33.622 0.000 13.380 . 74 ASN AAA HD22 c 1 ATOM 1206 C C . ASN AAA 1 74 C . ASN 74 1.405 12.993 33.829 1.000 14.278 . 74 ASN AAA C . 1 ATOM 1207 O O . ASN AAA 1 74 O . ASN 74 0.667 12.048 34.107 1.000 14.746 . 74 ASN AAA O . 1 ATOM 1209 N N . LEU AAA 1 75 N . LEU 75 1.000 14.262 33.734 1.000 17.103 . 75 LEU AAA N . 1 ATOM 1210 H H . LEU AAA 1 75 H . LEU 75 1.546 14.945 33.480 1.000 16.093 . 75 LEU AAA H c 1 ATOM 1211 C CA . LEU AAA 1 75 CA . LEU 75 -0.396 14.650 34.026 1.000 15.833 . 75 LEU AAA CA . 1 ATOM 1212 H HA . LEU AAA 1 75 HA . LEU 75 -0.611 14.295 34.917 1.000 15.866 . 75 LEU AAA HA c 1 ATOM 1213 C CB . LEU AAA 1 75 CB . LEU 75 -0.491 16.169 34.081 1.000 14.887 . 75 LEU AAA CB . 1 ATOM 1214 H HB3 . LEU AAA 1 75 HB3 . LEU 75 -1.431 16.430 34.140 1.000 15.513 . 75 LEU AAA HB3 c 1 ATOM 1215 H HB2 . LEU AAA 1 75 HB2 . LEU 75 -0.118 16.545 33.258 1.000 15.514 . 75 LEU AAA HB2 c 1 ATOM 1216 C CG . LEU AAA 1 75 CG . LEU 75 0.269 16.736 35.288 1.000 16.671 . 75 LEU AAA CG . 1 ATOM 1217 H HG . LEU AAA 1 75 HG . LEU 75 1.201 16.412 35.245 1.000 15.959 . 75 LEU AAA HG c 1 ATOM 1218 C CD1 . LEU AAA 1 75 CD1 . LEU 75 0.298 18.255 35.253 1.000 15.703 . 75 LEU AAA CD1 . 1 ATOM 1219 H HD11 . LEU AAA 1 75 HD11 . LEU 75 0.787 18.552 34.466 1.000 16.006 . 75 LEU AAA HD11 c 1 ATOM 1220 H HD12 . LEU AAA 1 75 HD12 . LEU 75 0.738 18.589 36.054 1.000 16.007 . 75 LEU AAA HD12 c 1 ATOM 1221 H HD13 . LEU AAA 1 75 HD13 . LEU 75 -0.612 18.597 35.217 1.000 15.999 . 75 LEU AAA HD13 c 1 ATOM 1222 C CD2 . LEU AAA 1 75 CD2 . LEU 75 -0.334 16.270 36.624 1.000 15.771 . 75 LEU AAA CD2 . 1 ATOM 1223 H HD21 . LEU AAA 1 75 HD21 . LEU 75 -1.301 16.390 36.603 1.000 16.042 . 75 LEU AAA HD21 c 1 ATOM 1224 H HD22 . LEU AAA 1 75 HD22 . LEU 75 0.043 16.796 37.352 1.000 16.042 . 75 LEU AAA HD22 c 1 ATOM 1225 H HD23 . LEU AAA 1 75 HD23 . LEU 75 -0.127 15.328 36.765 1.000 16.042 . 75 LEU AAA HD23 c 1 ATOM 1226 C C . LEU AAA 1 75 C . LEU 75 -1.417 14.071 33.060 1.000 15.785 . 75 LEU AAA C . 1 ATOM 1227 O O . LEU AAA 1 75 O . LEU 75 -2.624 14.082 33.411 1.000 15.638 . 75 LEU AAA O . 1 ATOM 1229 N N . CYS AAA 1 76 N . CYS 76 -1.006 13.617 31.880 1.000 15.094 . 76 CYS AAA N . 1 ATOM 1230 H H . CYS AAA 1 76 H . CYS 76 -0.149 13.633 31.573 1.000 15.096 . 76 CYS AAA H c 1 ATOM 1231 C CA . CYS AAA 1 76 CA . CYS 76 -1.977 13.055 30.918 1.000 14.440 . 76 CYS AAA CA . 1 ATOM 1232 H HA . CYS AAA 1 76 HA . CYS 76 -2.872 13.399 31.142 1.000 14.774 . 76 CYS AAA HA c 1 ATOM 1233 C CB . CYS AAA 1 76 CB . CYS 76 -1.653 13.460 29.483 1.000 15.228 . 76 CYS AAA CB . 1 ATOM 1234 H HB3 . CYS AAA 1 76 HB3 . CYS 76 -2.169 12.900 28.868 1.000 14.633 . 76 CYS AAA HB3 c 1 ATOM 1235 H HB2 . CYS AAA 1 76 HB2 . CYS 76 -0.706 13.304 29.307 1.000 14.632 . 76 CYS AAA HB2 c 1 ATOM 1236 S SG . CYS AAA 1 76 SG . CYS 76 -2.033 15.193 29.137 1.000 13.560 . 76 CYS AAA SG . 1 ATOM 1237 C C . CYS AAA 1 76 C . CYS 76 -1.971 11.537 31.116 1.000 14.763 . 76 CYS AAA C . 1 ATOM 1238 O O . CYS AAA 1 76 O . CYS 76 -2.704 10.844 30.446 1.000 14.583 . 76 CYS AAA O . 1 ATOM 1240 N N . ASN AAA 1 77 N . ASN 77 -1.161 11.061 32.065 1.000 14.402 . 77 ASN AAA N . 1 ATOM 1241 H H . ASN AAA 1 77 H . ASN 77 -0.623 11.587 32.570 1.000 14.594 . 77 ASN AAA H c 1 ATOM 1242 C CA . ASN AAA 1 77 CA . ASN 77 -1.045 9.623 32.384 1.000 14.845 . 77 ASN AAA CA . 1 ATOM 1243 H HA . ASN AAA 1 77 HA . ASN 77 -0.247 9.498 32.950 1.000 14.668 . 77 ASN AAA HA c 1 ATOM 1244 C CB A ASN AAA 1 77 CB . ASN 77 -2.272 9.151 33.197 0.500 14.377 . 77 ASN AAA CB . 1 ATOM 1245 H HB3 . ASN AAA 1 77 HB3 . ASN 77 -2.167 8.201 33.407 0.500 14.321 . 77 ASN AAA HB3 c 1 ATOM 1246 H HB2 . ASN AAA 1 77 HB2 . ASN 77 -3.075 9.253 32.646 0.500 14.321 . 77 ASN AAA HB2 c 1 ATOM 1247 C CG A ASN AAA 1 77 CG . ASN 77 -2.461 9.919 34.487 0.500 13.701 . 77 ASN AAA CG . 1 ATOM 1248 O OD1 A ASN AAA 1 77 OD1 . ASN 77 -1.617 9.849 35.398 0.500 13.980 . 77 ASN AAA OD1 . 1 ATOM 1249 N ND2 A ASN AAA 1 77 ND2 . ASN 77 -3.577 10.638 34.577 0.500 13.831 . 77 ASN AAA ND2 . 1 ATOM 1250 H HD21 . ASN AAA 1 77 HD21 . ASN 77 -3.722 11.073 35.341 0.000 13.510 . 77 ASN AAA HD21 c 1 ATOM 1251 H HD22 . ASN AAA 1 77 HD22 . ASN 77 -4.142 10.622 33.940 0.000 13.510 . 77 ASN AAA HD22 c 1 ATOM 1252 C C . ASN AAA 1 77 C . ASN 77 -0.897 8.754 31.145 1.000 14.835 . 77 ASN AAA C . 1 ATOM 1253 O O . ASN AAA 1 77 O . ASN 77 -1.641 7.778 30.991 1.000 13.639 . 77 ASN AAA O . 1 ATOM 1255 N N . ILE AAA 1 78 N . ILE 78 0.065 9.075 30.293 1.000 14.615 . 78 ILE AAA N . 1 ATOM 1256 H H . ILE AAA 1 78 H . ILE 78 0.632 9.778 30.414 1.000 14.887 . 78 ILE AAA H c 1 ATOM 1257 C CA . ILE AAA 1 78 CA . ILE 78 0.300 8.298 29.049 1.000 15.561 . 78 ILE AAA CA . 1 ATOM 1258 H HA . ILE AAA 1 78 HA . ILE 78 -0.012 7.385 29.178 1.000 15.208 . 78 ILE AAA HA c 1 ATOM 1259 C CB . ILE AAA 1 78 CB . ILE 78 -0.450 8.922 27.864 1.000 15.007 . 78 ILE AAA CB . 1 ATOM 1260 H HB . ILE AAA 1 78 HB . ILE 78 -0.117 8.476 27.046 1.000 15.297 . 78 ILE AAA HB c 1 ATOM 1261 C CG1 . ILE AAA 1 78 CG1 . ILE 78 -0.091 10.395 27.737 1.000 15.812 . 78 ILE AAA CG1 . 1 ATOM 1262 H HG12 . ILE AAA 1 78 HG12 . ILE 78 0.878 10.494 27.838 1.000 15.708 . 78 ILE AAA HG12 c 1 ATOM 1263 H HG13 . ILE AAA 1 78 HG13 . ILE 78 -0.518 10.883 28.473 1.000 15.711 . 78 ILE AAA HG13 c 1 ATOM 1264 C CG2 . ILE AAA 1 78 CG2 . ILE 78 -1.956 8.662 27.932 1.000 15.188 . 78 ILE AAA CG2 . 1 ATOM 1265 H HG21 . ILE AAA 1 78 HG21 . ILE 78 -2.118 7.705 28.002 1.000 15.133 . 78 ILE AAA HG21 c 1 ATOM 1266 H HG22 . ILE AAA 1 78 HG22 . ILE 78 -2.384 9.003 27.127 1.000 15.136 . 78 ILE AAA HG22 c 1 ATOM 1267 C CD1 . ILE AAA 1 78 CD1 . ILE 78 -0.499 11.044 26.436 1.000 16.225 . 78 ILE AAA CD1 . 1 ATOM 1268 H HD11 . ILE AAA 1 78 HD11 . ILE 78 -0.071 10.583 25.693 1.000 16.090 . 78 ILE AAA HD11 c 1 ATOM 1269 H HD12 . ILE AAA 1 78 HD12 . ILE 78 -0.224 11.977 26.438 1.000 16.092 . 78 ILE AAA HD12 c 1 ATOM 1270 H HD13 . ILE AAA 1 78 HD13 . ILE 78 -1.464 10.993 26.334 1.000 16.088 . 78 ILE AAA HD13 c 1 ATOM 1271 H HG23 . ILE AAA 1 78 HG23 . ILE 78 -2.331 9.108 28.709 1.000 15.129 . 78 ILE AAA HG23 c 1 ATOM 1272 C C . ILE AAA 1 78 C . ILE 78 1.779 8.280 28.728 1.000 15.297 . 78 ILE AAA C . 1 ATOM 1273 O O . ILE AAA 1 78 O . ILE 78 2.545 9.188 29.082 1.000 13.669 . 78 ILE AAA O . 1 ATOM 1274 N N . PRO AAA 1 79 N . PRO 79 2.263 7.225 28.048 1.000 14.745 . 79 PRO AAA N . 1 ATOM 1275 C CA . PRO AAA 1 79 CA . PRO 79 3.649 7.228 27.595 1.000 13.967 . 79 PRO AAA CA . 1 ATOM 1276 H HA . PRO AAA 1 79 HA . PRO 79 4.263 7.496 28.324 1.000 14.172 . 79 PRO AAA HA c 1 ATOM 1277 C CB . PRO AAA 1 79 CB . PRO 79 3.903 5.791 27.157 1.000 14.182 . 79 PRO AAA CB . 1 ATOM 1278 H HB3 . PRO AAA 1 79 HB3 . PRO 79 4.201 5.234 27.906 1.000 14.136 . 79 PRO AAA HB3 c 1 ATOM 1279 H HB2 . PRO AAA 1 79 HB2 . PRO 79 4.566 5.748 26.435 1.000 14.134 . 79 PRO AAA HB2 c 1 ATOM 1280 C CG . PRO AAA 1 79 CG . PRO 79 2.534 5.372 26.671 1.000 14.190 . 79 PRO AAA CG . 1 ATOM 1281 H HG3 . PRO AAA 1 79 HG3 . PRO 79 2.455 4.397 26.639 1.000 13.944 . 79 PRO AAA HG3 c 1 ATOM 1282 H HG2 . PRO AAA 1 79 HG2 . PRO 79 2.346 5.739 25.783 1.000 13.945 . 79 PRO AAA HG2 c 1 ATOM 1283 C CD . PRO AAA 1 79 CD . PRO 79 1.601 5.963 27.721 1.000 13.178 . 79 PRO AAA CD . 1 ATOM 1284 H HD3 . PRO AAA 1 79 HD3 . PRO 79 1.535 5.385 28.503 1.000 13.770 . 79 PRO AAA HD3 c 1 ATOM 1285 H HD2 . PRO AAA 1 79 HD2 . PRO 79 0.710 6.115 27.356 1.000 13.775 . 79 PRO AAA HD2 c 1 ATOM 1286 C C . PRO AAA 1 79 C . PRO 79 3.667 8.220 26.428 1.000 14.084 . 79 PRO AAA C . 1 ATOM 1287 O O . PRO AAA 1 79 O . PRO 79 2.712 8.337 25.663 1.000 13.882 . 79 PRO AAA O . 1 ATOM 1289 N N . CYS AAA 1 80 N . CYS 80 4.746 8.989 26.349 1.000 13.079 . 80 CYS AAA N . 1 ATOM 1290 H H . CYS AAA 1 80 H . CYS 80 5.462 8.951 26.911 1.000 13.289 . 80 CYS AAA H c 1 ATOM 1291 C CA . CYS AAA 1 80 CA . CYS 80 4.872 10.011 25.296 1.000 12.991 . 80 CYS AAA CA . 1 ATOM 1292 H HA . CYS AAA 1 80 HA . CYS 80 4.122 10.637 25.414 1.000 12.956 . 80 CYS AAA HA c 1 ATOM 1293 C CB . CYS AAA 1 80 CB . CYS 80 6.160 10.815 25.415 1.000 12.182 . 80 CYS AAA CB . 1 ATOM 1294 H HB3 . CYS AAA 1 80 HB3 . CYS 80 6.201 11.447 24.672 1.000 12.215 . 80 CYS AAA HB3 c 1 ATOM 1295 H HB2 . CYS AAA 1 80 HB2 . CYS 80 6.920 10.205 25.326 1.000 12.223 . 80 CYS AAA HB2 c 1 ATOM 1296 S SG . CYS AAA 1 80 SG . CYS 80 6.358 11.744 26.960 1.000 11.595 . 80 CYS AAA SG . 1 ATOM 1297 C C . CYS AAA 1 80 C . CYS 80 4.725 9.374 23.910 1.000 13.564 . 80 CYS AAA C . 1 ATOM 1298 O O . CYS AAA 1 80 O . CYS 80 4.233 10.032 22.963 1.000 13.217 . 80 CYS AAA O . 1 ATOM 1300 N N . SER AAA 1 81 N . SER 81 5.143 8.141 23.766 1.000 13.364 . 81 SER AAA N . 1 ATOM 1301 H H . SER AAA 1 81 H . SER 81 5.540 7.645 24.418 1.000 13.467 . 81 SER AAA H c 1 ATOM 1302 C CA . SER AAA 1 81 CA . SER 81 5.035 7.429 22.465 1.000 13.594 . 81 SER AAA CA . 1 ATOM 1303 H HA . SER AAA 1 81 HA . SER 81 5.551 7.945 21.788 1.000 13.610 . 81 SER AAA HA c 1 ATOM 1304 C CB . SER AAA 1 81 CB . SER 81 5.636 6.054 22.571 1.000 14.332 . 81 SER AAA CB . 1 ATOM 1305 H HB3 . SER AAA 1 81 HB3 . SER 81 6.594 6.137 22.781 1.000 14.079 . 81 SER AAA HB3 c 1 ATOM 1306 H HB2 . SER AAA 1 81 HB2 . SER 81 5.556 5.600 21.703 1.000 14.079 . 81 SER AAA HB2 c 1 ATOM 1307 O OG . SER AAA 1 81 OG . SER 81 5.007 5.267 23.569 1.000 14.007 . 81 SER AAA OG . 1 ATOM 1308 H HG . SER AAA 1 81 HG . SER 81 5.397 4.503 23.581 0.000 14.360 . 81 SER AAA HG c 1 ATOM 1309 C C . SER AAA 1 81 C . SER 81 3.566 7.366 22.002 1.000 13.194 . 81 SER AAA C . 1 ATOM 1310 O O . SER AAA 1 81 O . SER 81 3.337 7.262 20.811 1.000 13.522 . 81 SER AAA O . 1 ATOM 1312 N N . ALA AAA 1 82 N . ALA 82 2.603 7.333 22.906 1.000 13.601 . 82 ALA AAA N . 1 ATOM 1313 H H . ALA AAA 1 82 H . ALA 82 2.745 7.329 23.805 1.000 13.561 . 82 ALA AAA H c 1 ATOM 1314 C CA . ALA AAA 1 82 CA . ALA 82 1.170 7.273 22.549 1.000 13.831 . 82 ALA AAA CA . 1 ATOM 1315 H HA . ALA AAA 1 82 HA . ALA 82 1.017 6.500 21.956 1.000 13.836 . 82 ALA AAA HA c 1 ATOM 1316 C CB . ALA AAA 1 82 CB . ALA 82 0.339 7.113 23.807 1.000 14.624 . 82 ALA AAA CB . 1 ATOM 1317 H HB3 . ALA AAA 1 82 HB3 . ALA 82 0.454 7.894 24.375 1.000 14.379 . 82 ALA AAA HB3 c 1 ATOM 1318 H HB2 . ALA AAA 1 82 HB2 . ALA 82 0.626 6.319 24.288 1.000 14.379 . 82 ALA AAA HB2 c 1 ATOM 1319 H HB1 . ALA AAA 1 82 HB1 . ALA 82 -0.599 7.024 23.568 1.000 14.394 . 82 ALA AAA HB1 c 1 ATOM 1320 C C . ALA AAA 1 82 C . ALA 82 0.784 8.565 21.802 1.000 13.328 . 82 ALA AAA C . 1 ATOM 1321 O O . ALA AAA 1 82 O . ALA 82 -0.249 8.608 21.144 1.000 14.744 . 82 ALA AAA O . 1 ATOM 1323 N N . LEU AAA 1 83 N . LEU 83 1.586 9.600 21.939 1.000 13.742 . 83 LEU AAA N . 1 ATOM 1324 H H . LEU AAA 1 83 H . LEU 83 2.319 9.585 22.474 1.000 13.524 . 83 LEU AAA H c 1 ATOM 1325 C CA . LEU AAA 1 83 CA . LEU 83 1.369 10.897 21.291 1.000 13.240 . 83 LEU AAA CA . 1 ATOM 1326 H HA . LEU AAA 1 83 HA . LEU 83 0.398 11.050 21.232 1.000 13.586 . 83 LEU AAA HA c 1 ATOM 1327 C CB . LEU AAA 1 83 CB . LEU 83 1.998 12.006 22.139 1.000 13.227 . 83 LEU AAA CB . 1 ATOM 1328 H HB3 . LEU AAA 1 83 HB3 . LEU 83 1.895 12.853 21.661 1.000 13.365 . 83 LEU AAA HB3 c 1 ATOM 1329 H HB2 . LEU AAA 1 83 HB2 . LEU 83 2.956 11.831 22.220 1.000 13.370 . 83 LEU AAA HB2 c 1 ATOM 1330 C CG . LEU AAA 1 83 CG . LEU 83 1.410 12.169 23.540 1.000 13.799 . 83 LEU AAA CG . 1 ATOM 1331 H HG . LEU AAA 1 83 HG . LEU 83 1.458 11.297 24.005 1.000 14.349 . 83 LEU AAA HG c 1 ATOM 1332 C CD1 . LEU AAA 1 83 CD1 . LEU 83 2.242 13.170 24.311 1.000 15.418 . 83 LEU AAA CD1 . 1 ATOM 1333 H HD11 . LEU AAA 1 83 HD11 . LEU 83 3.156 12.844 24.383 1.000 14.891 . 83 LEU AAA HD11 c 1 ATOM 1334 H HD12 . LEU AAA 1 83 HD12 . LEU 83 1.868 13.289 25.201 1.000 14.897 . 83 LEU AAA HD12 c 1 ATOM 1335 H HD13 . LEU AAA 1 83 HD13 . LEU 83 2.240 14.021 23.842 1.000 14.890 . 83 LEU AAA HD13 c 1 ATOM 1336 C CD2 . LEU AAA 1 83 CD2 . LEU 83 -0.070 12.591 23.444 1.000 15.799 . 83 LEU AAA CD2 . 1 ATOM 1337 H HD21 . LEU AAA 1 83 HD21 . LEU 83 -0.156 13.317 22.800 1.000 15.146 . 83 LEU AAA HD21 c 1 ATOM 1338 H HD22 . LEU AAA 1 83 HD22 . LEU 83 -0.379 12.894 24.317 1.000 15.155 . 83 LEU AAA HD22 c 1 ATOM 1339 H HD23 . LEU AAA 1 83 HD23 . LEU 83 -0.608 11.833 23.154 1.000 15.146 . 83 LEU AAA HD23 c 1 ATOM 1340 C C . LEU AAA 1 83 C . LEU 83 1.931 10.868 19.880 1.000 14.570 . 83 LEU AAA C . 1 ATOM 1341 O O . LEU AAA 1 83 O . LEU 83 1.793 11.894 19.178 1.000 14.259 . 83 LEU AAA O . 1 ATOM 1343 N N . LEU AAA 1 84 N . LEU 84 2.536 9.768 19.452 1.000 14.676 . 84 LEU AAA N . 1 ATOM 1344 H H . LEU AAA 1 84 H . LEU 84 2.631 9.019 19.955 1.000 14.470 . 84 LEU AAA H c 1 ATOM 1345 C CA . LEU AAA 1 84 CA . LEU 84 3.152 9.677 18.108 1.000 13.967 . 84 LEU AAA CA . 1 ATOM 1346 H HA . LEU AAA 1 84 HA . LEU 84 3.176 10.576 17.720 1.000 14.151 . 84 LEU AAA HA c 1 ATOM 1347 C CB . LEU AAA 1 84 CB . LEU 84 4.580 9.163 18.270 1.000 14.055 . 84 LEU AAA CB . 1 ATOM 1348 H HB3 . LEU AAA 1 84 HB3 . LEU 84 4.979 9.103 17.379 1.000 13.893 . 84 LEU AAA HB3 c 1 ATOM 1349 H HB2 . LEU AAA 1 84 HB2 . LEU 84 4.531 8.252 18.624 1.000 13.892 . 84 LEU AAA HB2 c 1 ATOM 1350 C CG . LEU AAA 1 84 CG . LEU 84 5.526 9.958 19.153 1.000 13.463 . 84 LEU AAA CG . 1 ATOM 1351 H HG . LEU AAA 1 84 HG . LEU 84 5.150 10.006 20.067 1.000 13.703 . 84 LEU AAA HG c 1 ATOM 1352 C CD1 . LEU AAA 1 84 CD1 . LEU 84 6.884 9.236 19.207 1.000 14.297 . 84 LEU AAA CD1 . 1 ATOM 1353 H HD11 . LEU AAA 1 84 HD11 . LEU 84 6.763 8.342 19.574 1.000 13.806 . 84 LEU AAA HD11 c 1 ATOM 1354 H HD12 . LEU AAA 1 84 HD12 . LEU 84 7.497 9.737 19.773 1.000 13.981 . 84 LEU AAA HD12 c 1 ATOM 1355 H HD13 . LEU AAA 1 84 HD13 . LEU 84 7.253 9.170 18.309 1.000 13.981 . 84 LEU AAA HD13 c 1 ATOM 1356 C CD2 . LEU AAA 1 84 CD2 . LEU 84 5.702 11.375 18.613 1.000 13.316 . 84 LEU AAA CD2 . 1 ATOM 1357 H HD21 . LEU AAA 1 84 HD21 . LEU 84 5.983 11.336 17.682 1.000 13.356 . 84 LEU AAA HD21 c 1 ATOM 1358 H HD22 . LEU AAA 1 84 HD22 . LEU 84 6.379 11.839 19.136 1.000 13.351 . 84 LEU AAA HD22 c 1 ATOM 1359 H HD23 . LEU AAA 1 84 HD23 . LEU 84 4.859 11.856 18.678 1.000 13.358 . 84 LEU AAA HD23 c 1 ATOM 1360 C C . LEU AAA 1 84 C . LEU 84 2.324 8.788 17.199 1.000 14.183 . 84 LEU AAA C . 1 ATOM 1361 O O . LEU AAA 1 84 O . LEU 84 2.665 8.656 16.015 1.000 13.962 . 84 LEU AAA O . 1 ATOM 1363 N N . SER AAA 1 85 N . SER 85 1.256 8.197 17.728 1.000 13.833 . 85 SER AAA N . 1 ATOM 1364 H H . SER AAA 1 85 H . SER 85 0.992 8.317 18.590 1.000 13.909 . 85 SER AAA H c 1 ATOM 1365 C CA . SER AAA 1 85 CA . SER 85 0.357 7.277 16.988 1.000 13.812 . 85 SER AAA CA . 1 ATOM 1366 H HA . SER AAA 1 85 HA . SER 85 0.898 6.496 16.691 1.000 13.801 . 85 SER AAA HA c 1 ATOM 1367 C CB A SER AAA 1 85 CB . SER 85 -0.733 6.778 17.904 0.500 12.939 . 85 SER AAA CB . 1 ATOM 1368 H HB3 . SER AAA 1 85 HB3 . SER 85 -1.212 7.547 18.289 0.500 13.314 . 85 SER AAA HB3 c 1 ATOM 1369 H HB2 . SER AAA 1 85 HB2 . SER 85 -0.329 6.269 18.643 0.500 13.313 . 85 SER AAA HB2 c 1 ATOM 1370 O OG A SER AAA 1 85 OG . SER 85 -1.657 5.947 17.208 0.500 13.682 . 85 SER AAA OG . 1 ATOM 1371 H HG . SER AAA 1 85 HG . SER 85 -2.241 5.688 17.775 0.000 13.570 . 85 SER AAA HG c 1 ATOM 1372 C C . SER AAA 1 85 C . SER 85 -0.275 7.917 15.746 1.000 14.660 . 85 SER AAA C . 1 ATOM 1373 O O . SER AAA 1 85 O . SER 85 -0.290 9.153 15.591 1.000 13.733 . 85 SER AAA O . 1 ATOM 1375 N N . SER AAA 1 86 N . SER 86 -0.783 7.089 14.860 1.000 14.460 . 86 SER AAA N . 1 ATOM 1376 H H . SER AAA 1 86 H . SER 86 -0.724 6.181 14.916 1.000 14.419 . 86 SER AAA H c 1 ATOM 1377 C CA . SER AAA 1 86 CA . SER 86 -1.515 7.549 13.654 1.000 14.107 . 86 SER AAA CA . 1 ATOM 1378 H HA . SER AAA 1 86 HA . SER 86 -1.036 8.329 13.266 1.000 14.158 . 86 SER AAA HA c 1 ATOM 1379 C CB A SER AAA 1 86 CB . SER 86 -1.586 6.430 12.609 0.500 13.979 . 86 SER AAA CB . 1 ATOM 1380 H HB3 . SER AAA 1 86 HB3 . SER 86 -0.673 6.183 12.339 0.500 13.579 . 86 SER AAA HB3 c 1 ATOM 1381 H HB2 . SER AAA 1 86 HB2 . SER 86 -2.057 6.764 11.812 0.500 13.594 . 86 SER AAA HB2 c 1 ATOM 1382 O OG A SER AAA 1 86 OG . SER 86 -2.253 5.285 13.098 0.500 12.233 . 86 SER AAA OG . 1 ATOM 1383 H HG . SER AAA 1 86 HG . SER 86 -2.268 4.698 12.460 0.000 12.080 . 86 SER AAA HG c 1 ATOM 1384 C C . SER AAA 1 86 C . SER 86 -2.898 7.993 14.108 1.000 14.156 . 86 SER AAA C . 1 ATOM 1385 O O . SER AAA 1 86 O . SER 86 -3.540 8.795 13.429 1.000 14.707 . 86 SER AAA O . 1 ATOM 1387 N N . ASP AAA 1 87 N . ASP 87 -3.323 7.472 15.254 1.000 13.589 . 87 ASP AAA N . 1 ATOM 1388 H H . ASP AAA 1 87 H . ASP 87 -2.838 6.862 15.724 1.000 14.014 . 87 ASP AAA H c 1 ATOM 1389 C CA . ASP AAA 1 87 CA . ASP 87 -4.626 7.778 15.882 1.000 14.846 . 87 ASP AAA CA . 1 ATOM 1390 H HA . ASP AAA 1 87 HA . ASP 87 -5.281 8.018 15.185 1.000 14.485 . 87 ASP AAA HA c 1 ATOM 1391 C CB . ASP AAA 1 87 CB . ASP 87 -5.131 6.583 16.683 1.000 14.446 . 87 ASP AAA CB . 1 ATOM 1392 H HB3 . ASP AAA 1 87 HB3 . ASP 87 -4.504 6.394 17.411 1.000 14.812 . 87 ASP AAA HB3 c 1 ATOM 1393 H HB2 . ASP AAA 1 87 HB2 . ASP 87 -5.162 5.800 16.097 1.000 14.841 . 87 ASP AAA HB2 c 1 ATOM 1394 C CG . ASP AAA 1 87 CG . ASP 87 -6.517 6.781 17.282 1.000 15.600 . 87 ASP AAA CG . 1 ATOM 1395 O OD1 . ASP AAA 1 87 OD1 . ASP 87 -6.830 7.885 17.729 1.000 16.843 . 87 ASP AAA OD1 . 1 ATOM 1396 O OD2 . ASP AAA 1 87 OD2 . ASP 87 -7.290 5.845 17.244 1.000 18.251 . 87 ASP AAA OD2 . 1 ATOM 1397 C C . ASP AAA 1 87 C . ASP 87 -4.388 8.976 16.809 1.000 14.653 . 87 ASP AAA C . 1 ATOM 1398 O O . ASP AAA 1 87 O . ASP 87 -3.650 8.800 17.784 1.000 15.133 . 87 ASP AAA O . 1 ATOM 1400 N N . ILE AAA 1 88 N . ILE 88 -4.957 10.145 16.540 1.000 14.135 . 88 ILE AAA N . 1 ATOM 1401 H H . ILE AAA 1 88 H . ILE 88 -5.532 10.282 15.847 1.000 14.033 . 88 ILE AAA H c 1 ATOM 1402 C CA . ILE AAA 1 88 CA . ILE 88 -4.690 11.344 17.393 1.000 13.233 . 88 ILE AAA CA . 1 ATOM 1403 H HA . ILE AAA 1 88 HA . ILE 88 -3.754 11.307 17.652 1.000 13.503 . 88 ILE AAA HA c 1 ATOM 1404 C CB . ILE AAA 1 88 CB . ILE 88 -4.878 12.639 16.593 1.000 13.633 . 88 ILE AAA CB . 1 ATOM 1405 H HB . ILE AAA 1 88 HB . ILE 88 -4.563 13.386 17.158 1.000 13.613 . 88 ILE AAA HB c 1 ATOM 1406 C CG1 . ILE AAA 1 88 CG1 . ILE 88 -6.352 12.882 16.294 1.000 13.668 . 88 ILE AAA CG1 . 1 ATOM 1407 H HG12 . ILE AAA 1 88 HG12 . ILE 88 -6.878 12.707 17.103 1.000 13.739 . 88 ILE AAA HG12 c 1 ATOM 1408 H HG13 . ILE AAA 1 88 HG13 . ILE 88 -6.643 12.252 15.602 1.000 13.757 . 88 ILE AAA HG13 c 1 ATOM 1409 C CG2 . ILE AAA 1 88 CG2 . ILE 88 -4.051 12.644 15.333 1.000 13.910 . 88 ILE AAA CG2 . 1 ATOM 1410 H HG21 . ILE AAA 1 88 HG21 . ILE 88 -3.135 12.389 15.544 1.000 13.824 . 88 ILE AAA HG21 c 1 ATOM 1411 H HG22 . ILE AAA 1 88 HG22 . ILE 88 -4.056 13.536 14.942 1.000 13.825 . 88 ILE AAA HG22 c 1 ATOM 1412 C CD1 . ILE AAA 1 88 CD1 . ILE 88 -6.641 14.284 15.824 1.000 14.001 . 88 ILE AAA CD1 . 1 ATOM 1413 H HD11 . ILE AAA 1 88 HD11 . ILE 88 -6.298 14.922 16.474 1.000 13.897 . 88 ILE AAA HD11 c 1 ATOM 1414 H HD12 . ILE AAA 1 88 HD12 . ILE 88 -7.603 14.404 15.730 1.000 13.897 . 88 ILE AAA HD12 c 1 ATOM 1415 H HD13 . ILE AAA 1 88 HD13 . ILE 88 -6.212 14.435 14.964 1.000 13.897 . 88 ILE AAA HD13 c 1 ATOM 1416 H HG23 . ILE AAA 1 88 HG23 . ILE 88 -4.424 12.010 14.694 1.000 13.825 . 88 ILE AAA HG23 c 1 ATOM 1417 C C . ILE AAA 1 88 C . ILE 88 -5.509 11.406 18.685 1.000 13.364 . 88 ILE AAA C . 1 ATOM 1418 O O . ILE AAA 1 88 O . ILE 88 -5.401 12.410 19.410 1.000 12.674 . 88 ILE AAA O . 1 ATOM 1420 N N . THR AAA 1 89 N . THR 89 -6.268 10.379 19.045 1.000 13.308 . 89 THR AAA N . 1 ATOM 1421 H H . THR AAA 1 89 H . THR 89 -6.328 9.591 18.595 1.000 13.234 . 89 THR AAA H c 1 ATOM 1422 C CA . THR AAA 1 89 CA . THR 89 -7.127 10.438 20.260 1.000 12.919 . 89 THR AAA CA . 1 ATOM 1423 H HA . THR AAA 1 89 HA . THR 89 -7.831 11.106 20.091 1.000 13.072 . 89 THR AAA HA c 1 ATOM 1424 C CB . THR AAA 1 89 CB . THR 89 -7.806 9.098 20.551 1.000 13.443 . 89 THR AAA CB . 1 ATOM 1425 H HB . THR AAA 1 89 HB . THR 89 -7.098 8.415 20.638 1.000 13.355 . 89 THR AAA HB c 1 ATOM 1426 O OG1 . THR AAA 1 89 OG1 . THR 89 -8.698 8.692 19.497 1.000 13.588 . 89 THR AAA OG1 . 1 ATOM 1427 H HG1 . THR AAA 1 89 HG1 . THR 89 -9.048 7.948 19.697 0.000 13.210 . 89 THR AAA HG1 c 1 ATOM 1428 C CG2 . THR AAA 1 89 CG2 . THR 89 -8.557 9.168 21.859 1.000 13.370 . 89 THR AAA CG2 . 1 ATOM 1429 H HG21 . THR AAA 1 89 HG21 . THR 89 -7.924 9.157 22.603 1.000 13.391 . 89 THR AAA HG21 c 1 ATOM 1430 H HG22 . THR AAA 1 89 HG22 . THR 89 -9.155 8.399 21.932 1.000 13.392 . 89 THR AAA HG22 c 1 ATOM 1431 H HG23 . THR AAA 1 89 HG23 . THR 89 -9.082 9.992 21.890 1.000 13.392 . 89 THR AAA HG23 c 1 ATOM 1432 C C . THR AAA 1 89 C . THR 89 -6.310 10.904 21.488 1.000 12.820 . 89 THR AAA C . 1 ATOM 1433 O O . THR AAA 1 89 O . THR 89 -6.732 11.839 22.188 1.000 13.041 . 89 THR AAA O . 1 ATOM 1435 N N . ALA AAA 1 90 N . ALA 90 -5.165 10.290 21.741 1.000 13.053 . 90 ALA AAA N . 1 ATOM 1436 H H . ALA AAA 1 90 H . ALA 90 -4.803 9.643 21.211 1.000 12.855 . 90 ALA AAA H c 1 ATOM 1437 C CA . ALA AAA 1 90 CA . ALA 90 -4.338 10.595 22.934 1.000 12.455 . 90 ALA AAA CA . 1 ATOM 1438 H HA . ALA AAA 1 90 HA . ALA 90 -4.887 10.464 23.742 1.000 12.565 . 90 ALA AAA HA c 1 ATOM 1439 C CB . ALA AAA 1 90 CB . ALA 90 -3.140 9.645 22.983 1.000 12.229 . 90 ALA AAA CB . 1 ATOM 1440 H HB3 . ALA AAA 1 90 HB3 . ALA 90 -2.581 9.784 22.201 1.000 12.299 . 90 ALA AAA HB3 c 1 ATOM 1441 H HB2 . ALA AAA 1 90 HB2 . ALA 90 -3.455 8.725 22.996 1.000 12.299 . 90 ALA AAA HB2 c 1 ATOM 1442 H HB1 . ALA AAA 1 90 HB1 . ALA 90 -2.620 9.819 23.786 1.000 12.299 . 90 ALA AAA HB1 c 1 ATOM 1443 C C . ALA AAA 1 90 C . ALA 90 -3.881 12.052 22.881 1.000 12.675 . 90 ALA AAA C . 1 ATOM 1444 O O . ALA AAA 1 90 O . ALA 90 -3.884 12.716 23.904 1.000 13.149 . 90 ALA AAA O . 1 ATOM 1446 N N . SER AAA 1 91 N . SER 91 -3.383 12.497 21.726 1.000 12.843 . 91 SER AAA N . 1 ATOM 1447 H H . SER AAA 1 91 H . SER 91 -3.312 12.000 20.966 1.000 12.842 . 91 SER AAA H c 1 ATOM 1448 C CA . SER AAA 1 91 CA . SER 91 -2.873 13.881 21.577 1.000 12.996 . 91 SER AAA CA . 1 ATOM 1449 H HA . SER AAA 1 91 HA . SER 91 -2.177 14.023 22.270 1.000 12.856 . 91 SER AAA HA c 1 ATOM 1450 C CB . SER AAA 1 91 CB . SER 91 -2.233 14.090 20.209 1.000 13.113 . 91 SER AAA CB . 1 ATOM 1451 H HB3 . SER AAA 1 91 HB3 . SER 91 -2.180 15.056 20.027 1.000 13.280 . 91 SER AAA HB3 c 1 ATOM 1452 H HB2 . SER AAA 1 91 HB2 . SER 91 -2.811 13.690 19.521 1.000 13.281 . 91 SER AAA HB2 c 1 ATOM 1453 O OG . SER AAA 1 91 OG . SER 91 -0.942 13.536 20.101 1.000 13.972 . 91 SER AAA OG . 1 ATOM 1454 H HG . SER AAA 1 91 HG . SER 91 -0.637 13.675 19.336 0.000 13.910 . 91 SER AAA HG c 1 ATOM 1455 C C . SER AAA 1 91 C . SER 91 -4.001 14.864 21.843 1.000 12.264 . 91 SER AAA C . 1 ATOM 1456 O O . SER AAA 1 91 O . SER 91 -3.810 15.849 22.543 1.000 12.499 . 91 SER AAA O . 1 ATOM 1458 N N . VAL AAA 1 92 N . VAL 92 -5.200 14.562 21.319 1.000 12.820 . 92 VAL AAA N . 1 ATOM 1459 H H . VAL AAA 1 92 H . VAL 92 -5.370 13.830 20.804 1.000 12.645 . 92 VAL AAA H c 1 ATOM 1460 C CA . VAL AAA 1 92 CA . VAL 92 -6.357 15.456 21.555 1.000 12.644 . 92 VAL AAA CA . 1 ATOM 1461 H HA . VAL AAA 1 92 HA . VAL 92 -6.086 16.357 21.300 1.000 12.457 . 92 VAL AAA HA c 1 ATOM 1462 C CB . VAL AAA 1 92 CB . VAL 92 -7.555 15.063 20.668 1.000 12.209 . 92 VAL AAA CB . 1 ATOM 1463 H HB . VAL AAA 1 92 HB . VAL 92 -7.697 14.090 20.776 1.000 12.538 . 92 VAL AAA HB c 1 ATOM 1464 C CG1 . VAL AAA 1 92 CG1 . VAL 92 -8.832 15.779 21.145 1.000 13.036 . 92 VAL AAA CG1 . 1 ATOM 1465 H HG11 . VAL AAA 1 92 HG11 . VAL 92 -9.222 15.288 21.891 1.000 12.778 . 92 VAL AAA HG11 c 1 ATOM 1466 H HG12 . VAL AAA 1 92 HG12 . VAL 92 -9.474 15.820 20.413 1.000 12.788 . 92 VAL AAA HG12 c 1 ATOM 1467 H HG13 . VAL AAA 1 92 HG13 . VAL 92 -8.611 16.684 21.431 1.000 12.782 . 92 VAL AAA HG13 c 1 ATOM 1468 C CG2 . VAL AAA 1 92 CG2 . VAL 92 -7.285 15.326 19.217 1.000 12.695 . 92 VAL AAA CG2 . 1 ATOM 1469 H HG21 . VAL AAA 1 92 HG21 . VAL 92 -7.123 16.276 19.083 1.000 12.544 . 92 VAL AAA HG21 c 1 ATOM 1470 H HG22 . VAL AAA 1 92 HG22 . VAL 92 -8.053 15.051 18.688 1.000 12.544 . 92 VAL AAA HG22 c 1 ATOM 1471 H HG23 . VAL AAA 1 92 HG23 . VAL 92 -6.502 14.822 18.935 1.000 12.544 . 92 VAL AAA HG23 c 1 ATOM 1472 C C . VAL AAA 1 92 C . VAL 92 -6.771 15.500 23.012 1.000 11.934 . 92 VAL AAA C . 1 ATOM 1473 O O . VAL AAA 1 92 O . VAL 92 -7.008 16.598 23.535 1.000 13.241 . 92 VAL AAA O . 1 ATOM 1475 N N . ASN AAA 1 93 N . ASN 93 -6.923 14.337 23.656 1.000 12.566 . 93 ASN AAA N . 1 ATOM 1476 H H . ASN AAA 1 93 H . ASN 93 -6.763 13.524 23.275 1.000 12.499 . 93 ASN AAA H c 1 ATOM 1477 C CA . ASN AAA 1 93 CA . ASN 93 -7.367 14.294 25.061 1.000 12.885 . 93 ASN AAA CA . 1 ATOM 1478 H HA . ASN AAA 1 93 HA . ASN 93 -8.219 14.784 25.128 1.000 13.035 . 93 ASN AAA HA c 1 ATOM 1479 C CB . ASN AAA 1 93 CB . ASN 93 -7.618 12.856 25.537 1.000 14.620 . 93 ASN AAA CB . 1 ATOM 1480 H HB3 . ASN AAA 1 93 HB3 . ASN 93 -7.787 12.869 26.501 1.000 14.459 . 93 ASN AAA HB3 c 1 ATOM 1481 H HB2 . ASN AAA 1 93 HB2 . ASN 93 -6.809 12.327 25.380 1.000 14.463 . 93 ASN AAA HB2 c 1 ATOM 1482 C CG . ASN AAA 1 93 CG . ASN 93 -8.777 12.192 24.848 1.000 15.851 . 93 ASN AAA CG . 1 ATOM 1483 O OD1 . ASN AAA 1 93 OD1 . ASN 93 -9.572 12.901 24.220 1.000 19.395 . 93 ASN AAA OD1 . 1 ATOM 1484 N ND2 . ASN AAA 1 93 ND2 . ASN 93 -8.837 10.865 24.920 1.000 15.752 . 93 ASN AAA ND2 . 1 ATOM 1485 H HD21 . ASN AAA 1 93 HD21 . ASN 93 -9.502 10.439 24.539 0.000 15.550 . 93 ASN AAA HD21 c 1 ATOM 1486 H HD22 . ASN AAA 1 93 HD22 . ASN 93 -8.230 10.436 25.390 0.000 15.550 . 93 ASN AAA HD22 c 1 ATOM 1487 C C . ASN AAA 1 93 C . ASN 93 -6.346 14.985 25.958 1.000 12.315 . 93 ASN AAA C . 1 ATOM 1488 O O . ASN AAA 1 93 O . ASN 93 -6.747 15.667 26.923 1.000 12.880 . 93 ASN AAA O . 1 ATOM 1490 N N . CYS AAA 1 94 N . CYS 94 -5.059 14.894 25.616 1.000 12.398 . 94 CYS AAA N . 1 ATOM 1491 H H . CYS AAA 1 94 H . CYS 94 -4.725 14.437 24.902 1.000 12.271 . 94 CYS AAA H c 1 ATOM 1492 C CA . CYS AAA 1 94 CA . CYS 94 -4.043 15.560 26.430 1.000 11.939 . 94 CYS AAA CA . 1 ATOM 1493 H HA . CYS AAA 1 94 HA . CYS 94 -4.261 15.416 27.378 1.000 12.248 . 94 CYS AAA HA c 1 ATOM 1494 C CB . CYS AAA 1 94 CB . CYS 94 -2.679 14.955 26.142 1.000 12.785 . 94 CYS AAA CB . 1 ATOM 1495 H HB3 . CYS AAA 1 94 HB3 . CYS 94 -2.420 15.181 25.226 1.000 12.467 . 94 CYS AAA HB3 c 1 ATOM 1496 H HB2 . CYS AAA 1 94 HB2 . CYS 94 -2.746 13.980 26.200 1.000 12.466 . 94 CYS AAA HB2 c 1 ATOM 1497 S SG . CYS AAA 1 94 SG . CYS 94 -1.350 15.504 27.267 1.000 12.296 . 94 CYS AAA SG . 1 ATOM 1498 C C . CYS AAA 1 94 C . CYS 94 -4.074 17.048 26.135 1.000 12.255 . 94 CYS AAA C . 1 ATOM 1499 O O . CYS AAA 1 94 O . CYS 94 -3.938 17.836 27.069 1.000 12.613 . 94 CYS AAA O . 1 ATOM 1501 N N . ALA AAA 1 95 N . ALA 95 -4.212 17.423 24.884 1.000 13.621 . 95 ALA AAA N . 1 ATOM 1502 H H . ALA AAA 1 95 H . ALA 95 -4.286 16.858 24.173 1.000 13.142 . 95 ALA AAA H c 1 ATOM 1503 C CA . ALA AAA 1 95 CA . ALA 95 -4.246 18.844 24.514 1.000 13.015 . 95 ALA AAA CA . 1 ATOM 1504 H HA . ALA AAA 1 95 HA . ALA 95 -3.397 19.260 24.794 1.000 13.024 . 95 ALA AAA HA c 1 ATOM 1505 C CB . ALA AAA 1 95 CB . ALA 95 -4.394 18.997 23.042 1.000 12.971 . 95 ALA AAA CB . 1 ATOM 1506 H HB3 . ALA AAA 1 95 HB3 . ALA 95 -5.225 18.582 22.754 1.000 12.984 . 95 ALA AAA HB3 c 1 ATOM 1507 H HB2 . ALA AAA 1 95 HB2 . ALA 95 -3.646 18.568 22.593 1.000 12.984 . 95 ALA AAA HB2 c 1 ATOM 1508 H HB1 . ALA AAA 1 95 HB1 . ALA 95 -4.409 19.942 22.813 1.000 12.984 . 95 ALA AAA HB1 c 1 ATOM 1509 C C . ALA AAA 1 95 C . ALA 95 -5.393 19.537 25.254 1.000 12.522 . 95 ALA AAA C . 1 ATOM 1510 O O . ALA AAA 1 95 O . ALA 95 -5.260 20.724 25.631 1.000 11.821 . 95 ALA AAA O . 1 ATOM 1512 N N . LYS AAA 1 96 N . LYS 96 -6.513 18.851 25.424 1.000 12.560 . 96 LYS AAA N . 1 ATOM 1513 H H . LYS AAA 1 96 H . LYS 96 -6.629 18.003 25.114 1.000 12.660 . 96 LYS AAA H c 1 ATOM 1514 C CA . LYS AAA 1 96 CA . LYS 96 -7.679 19.405 26.113 1.000 13.016 . 96 LYS AAA CA . 1 ATOM 1515 H HA . LYS AAA 1 96 HA . LYS 96 -7.946 20.228 25.642 1.000 12.838 . 96 LYS AAA HA c 1 ATOM 1516 C CB . LYS AAA 1 96 CB . LYS 96 -8.854 18.438 26.094 1.000 12.865 . 96 LYS AAA CB . 1 ATOM 1517 H HB3 . LYS AAA 1 96 HB3 . LYS 96 -9.518 18.739 26.749 1.000 12.765 . 96 LYS AAA HB3 c 1 ATOM 1518 H HB2 . LYS AAA 1 96 HB2 . LYS 96 -8.537 17.554 26.373 1.000 12.765 . 96 LYS AAA HB2 c 1 ATOM 1519 C CG . LYS AAA 1 96 CG . LYS 96 -9.527 18.307 24.751 1.000 12.302 . 96 LYS AAA CG . 1 ATOM 1520 H HG3 . LYS AAA 1 96 HG3 . LYS 96 -8.875 17.984 24.095 1.000 12.591 . 96 LYS AAA HG3 c 1 ATOM 1521 H HG2 . LYS AAA 1 96 HG2 . LYS 96 -9.838 19.191 24.462 1.000 12.589 . 96 LYS AAA HG2 c 1 ATOM 1522 C CD . LYS AAA 1 96 CD . LYS 96 -10.695 17.362 24.798 1.000 12.976 . 96 LYS AAA CD . 1 ATOM 1523 H HD3 . LYS AAA 1 96 HD3 . LYS 96 -11.334 17.680 25.471 1.000 12.811 . 96 LYS AAA HD3 c 1 ATOM 1524 H HD2 . LYS AAA 1 96 HD2 . LYS 96 -10.377 16.478 25.082 1.000 12.811 . 96 LYS AAA HD2 c 1 ATOM 1525 C CE . LYS AAA 1 96 CE . LYS 96 -11.416 17.217 23.473 1.000 12.963 . 96 LYS AAA CE . 1 ATOM 1526 H HE3 . LYS AAA 1 96 HE3 . LYS 96 -10.775 17.002 22.771 1.000 13.408 . 96 LYS AAA HE3 c 1 ATOM 1527 H HE2 . LYS AAA 1 96 HE2 . LYS 96 -11.852 18.059 23.241 1.000 13.409 . 96 LYS AAA HE2 c 1 ATOM 1528 N NZ . LYS AAA 1 96 NZ . LYS 96 -12.454 16.126 23.547 1.000 14.947 . 96 LYS AAA NZ . 1 ATOM 1529 H HZ1 . LYS AAA 1 96 HZ1 . LYS 96 -12.058 15.337 23.753 1.000 14.306 . 96 LYS AAA HZ1 c 1 ATOM 1530 H HZ2 . LYS AAA 1 96 HZ2 . LYS 96 -12.874 16.047 22.746 1.000 14.306 . 96 LYS AAA HZ2 c 1 ATOM 1531 H HZ3 . LYS AAA 1 96 HZ3 . LYS 96 -13.067 16.327 24.185 1.000 14.306 . 96 LYS AAA HZ3 c 1 ATOM 1532 C C . LYS AAA 1 96 C . LYS 96 -7.282 19.776 27.529 1.000 12.695 . 96 LYS AAA C . 1 ATOM 1533 O O . LYS AAA 1 96 O . LYS 96 -7.708 20.786 28.047 1.000 11.888 . 96 LYS AAA O . 1 ATOM 1535 N N . LYS AAA 1 97 N . LYS 97 -6.479 18.945 28.163 1.000 12.945 . 97 LYS AAA N . 1 ATOM 1536 H H . LYS AAA 1 97 H . LYS 97 -6.157 18.173 27.803 1.000 13.222 . 97 LYS AAA H c 1 ATOM 1537 C CA . LYS AAA 1 97 CA . LYS 97 -6.053 19.223 29.546 1.000 14.369 . 97 LYS AAA CA . 1 ATOM 1538 H HA . LYS AAA 1 97 HA . LYS 97 -6.848 19.425 30.090 1.000 13.928 . 97 LYS AAA HA c 1 ATOM 1539 C CB . LYS AAA 1 97 CB . LYS 97 -5.334 18.029 30.136 1.000 15.472 . 97 LYS AAA CB . 1 ATOM 1540 H HB3 . LYS AAA 1 97 HB3 . LYS 97 -4.971 18.281 31.011 1.000 15.723 . 97 LYS AAA HB3 c 1 ATOM 1541 H HB2 . LYS AAA 1 97 HB2 . LYS 97 -4.584 17.790 29.554 1.000 15.718 . 97 LYS AAA HB2 c 1 ATOM 1542 C CG . LYS AAA 1 97 CG . LYS 97 -6.230 16.814 30.309 1.000 17.881 . 97 LYS AAA CG . 1 ATOM 1543 H HG3 . LYS AAA 1 97 HG3 . LYS 97 -6.372 16.407 29.429 1.000 17.718 . 97 LYS AAA HG3 c 1 ATOM 1544 H HG2 . LYS AAA 1 97 HG2 . LYS 97 -7.103 17.115 30.641 1.000 17.696 . 97 LYS AAA HG2 c 1 ATOM 1545 C CD . LYS AAA 1 97 CD . LYS 97 -5.687 15.761 31.249 1.000 19.816 . 97 LYS AAA CD . 1 ATOM 1546 H HD3 . LYS AAA 1 97 HD3 . LYS 97 -5.468 16.176 32.110 1.000 19.253 . 97 LYS AAA HD3 c 1 ATOM 1547 H HD2 . LYS AAA 1 97 HD2 . LYS 97 -4.863 15.383 30.873 1.000 19.258 . 97 LYS AAA HD2 c 1 ATOM 1548 C CE . LYS AAA 1 97 CE . LYS 97 -6.677 14.661 31.472 1.000 19.425 . 97 LYS AAA CE . 1 ATOM 1549 H HE3 . LYS AAA 1 97 HE3 . LYS 97 -7.555 15.042 31.664 1.000 20.313 . 97 LYS AAA HE3 c 1 ATOM 1550 H HE2 . LYS AAA 1 97 HE2 . LYS 97 -6.405 14.124 32.240 1.000 20.340 . 97 LYS AAA HE2 c 1 ATOM 1551 N NZ . LYS AAA 1 97 NZ . LYS 97 -6.776 13.789 30.282 1.000 23.057 . 97 LYS AAA NZ . 1 ATOM 1552 H HZ1 . LYS AAA 1 97 HZ1 . LYS 97 -7.165 14.241 29.598 1.000 21.849 . 97 LYS AAA HZ1 c 1 ATOM 1553 H HZ2 . LYS AAA 1 97 HZ2 . LYS 97 -7.280 13.060 30.477 1.000 21.864 . 97 LYS AAA HZ2 c 1 ATOM 1554 H HZ3 . LYS AAA 1 97 HZ3 . LYS 97 -5.949 13.517 30.028 1.000 21.855 . 97 LYS AAA HZ3 c 1 ATOM 1555 C C . LYS AAA 1 97 C . LYS 97 -5.121 20.415 29.565 1.000 12.586 . 97 LYS AAA C . 1 ATOM 1556 O O . LYS AAA 1 97 O . LYS 97 -5.256 21.268 30.451 1.000 12.652 . 97 LYS AAA O . 1 ATOM 1558 N N . ILE AAA 1 98 N . ILE 98 -4.183 20.479 28.624 1.000 13.819 . 98 ILE AAA N . 1 ATOM 1559 H H . ILE AAA 1 98 H . ILE 98 -4.104 19.876 27.947 1.000 13.308 . 98 ILE AAA H c 1 ATOM 1560 C CA . ILE AAA 1 98 CA . ILE 98 -3.202 21.589 28.594 1.000 12.980 . 98 ILE AAA CA . 1 ATOM 1561 H HA . ILE AAA 1 98 HA . ILE 98 -2.725 21.603 29.443 1.000 12.844 . 98 ILE AAA HA c 1 ATOM 1562 C CB . ILE AAA 1 98 CB . ILE 98 -2.173 21.355 27.458 1.000 11.392 . 98 ILE AAA CB . 1 ATOM 1563 H HB . ILE AAA 1 98 HB . ILE 98 -2.664 21.339 26.600 1.000 11.987 . 98 ILE AAA HB c 1 ATOM 1564 C CG1 . ILE AAA 1 98 CG1 . ILE 98 -1.432 20.039 27.600 1.000 12.371 . 98 ILE AAA CG1 . 1 ATOM 1565 H HG12 . ILE AAA 1 98 HG12 . ILE 98 -2.087 19.314 27.652 1.000 12.083 . 98 ILE AAA HG12 c 1 ATOM 1566 H HG13 . ILE AAA 1 98 HG13 . ILE 98 -0.943 20.054 28.446 1.000 12.079 . 98 ILE AAA HG13 c 1 ATOM 1567 C CG2 . ILE AAA 1 98 CG2 . ILE 98 -1.198 22.545 27.432 1.000 12.024 . 98 ILE AAA CG2 . 1 ATOM 1568 H HG21 . ILE AAA 1 98 HG21 . ILE 98 -1.684 23.365 27.236 1.000 11.830 . 98 ILE AAA HG21 c 1 ATOM 1569 H HG22 . ILE AAA 1 98 HG22 . ILE 98 -0.524 22.402 26.746 1.000 11.829 . 98 ILE AAA HG22 c 1 ATOM 1570 C CD1 . ILE AAA 1 98 CD1 . ILE 98 -0.458 19.718 26.491 1.000 12.117 . 98 ILE AAA CD1 . 1 ATOM 1571 H HD11 . ILE AAA 1 98 HD11 . ILE 98 -0.891 19.854 25.629 1.000 12.194 . 98 ILE AAA HD11 c 1 ATOM 1572 H HD12 . ILE AAA 1 98 HD12 . ILE 98 -0.174 18.789 26.568 1.000 12.195 . 98 ILE AAA HD12 c 1 ATOM 1573 H HD13 . ILE AAA 1 98 HD13 . ILE 98 0.319 20.301 26.559 1.000 12.193 . 98 ILE AAA HD13 c 1 ATOM 1574 H HG23 . ILE AAA 1 98 HG23 . ILE 98 -0.762 22.629 28.299 1.000 11.828 . 98 ILE AAA HG23 c 1 ATOM 1575 C C . ILE AAA 1 98 C . ILE 98 -3.917 22.930 28.414 1.000 13.143 . 98 ILE AAA C . 1 ATOM 1576 O O . ILE AAA 1 98 O . ILE 98 -3.685 23.857 29.165 1.000 13.057 . 98 ILE AAA O . 1 ATOM 1578 N N . VAL AAA 1 99 N . VAL 99 -4.750 23.031 27.392 1.000 13.569 . 99 VAL AAA N . 1 ATOM 1579 H H . VAL AAA 1 99 H . VAL 99 -4.942 22.340 26.830 1.000 13.379 . 99 VAL AAA H c 1 ATOM 1580 C CA . VAL AAA 1 99 CA . VAL 99 -5.442 24.293 27.078 1.000 13.232 . 99 VAL AAA CA . 1 ATOM 1581 H HA . VAL AAA 1 99 HA . VAL 99 -4.764 24.984 26.972 1.000 13.251 . 99 VAL AAA HA c 1 ATOM 1582 C CB . VAL AAA 1 99 CB . VAL 99 -6.195 24.169 25.762 1.000 12.594 . 99 VAL AAA CB . 1 ATOM 1583 H HB . VAL AAA 1 99 HB . VAL 99 -5.597 23.715 25.119 1.000 12.772 . 99 VAL AAA HB c 1 ATOM 1584 C CG1 . VAL AAA 1 99 CG1 . VAL 99 -7.458 23.315 25.917 1.000 12.349 . 99 VAL AAA CG1 . 1 ATOM 1585 H HG11 . VAL AAA 1 99 HG11 . VAL 99 -7.216 22.437 26.257 1.000 12.427 . 99 VAL AAA HG11 c 1 ATOM 1586 H HG12 . VAL AAA 1 99 HG12 . VAL 99 -7.889 23.217 25.051 1.000 12.428 . 99 VAL AAA HG12 c 1 ATOM 1587 H HG13 . VAL AAA 1 99 HG13 . VAL 99 -8.070 23.744 26.536 1.000 12.435 . 99 VAL AAA HG13 c 1 ATOM 1588 C CG2 . VAL AAA 1 99 CG2 . VAL 99 -6.532 25.561 25.194 1.000 13.175 . 99 VAL AAA CG2 . 1 ATOM 1589 H HG21 . VAL AAA 1 99 HG21 . VAL 99 -7.127 26.029 25.804 1.000 12.998 . 99 VAL AAA HG21 c 1 ATOM 1590 H HG22 . VAL AAA 1 99 HG22 . VAL 99 -6.969 25.461 24.331 1.000 12.995 . 99 VAL AAA HG22 c 1 ATOM 1591 H HG23 . VAL AAA 1 99 HG23 . VAL 99 -5.713 26.073 25.083 1.000 12.995 . 99 VAL AAA HG23 c 1 ATOM 1592 C C . VAL AAA 1 99 C . VAL 99 -6.369 24.715 28.225 1.000 13.663 . 99 VAL AAA C . 1 ATOM 1593 O O . VAL AAA 1 99 O . VAL 99 -6.812 25.879 28.263 1.000 14.602 . 99 VAL AAA O . 1 ATOM 1595 N N . SER AAA 1 100 N . SER 100 -6.707 23.792 29.118 1.000 14.164 . 100 SER AAA N . 1 ATOM 1596 H H . SER AAA 1 100 H . SER 100 -6.446 22.923 29.078 1.000 14.190 . 100 SER AAA H c 1 ATOM 1597 C CA . SER AAA 1 100 CA . SER 100 -7.602 24.068 30.274 1.000 14.819 . 100 SER AAA CA . 1 ATOM 1598 H HA . SER AAA 1 100 HA . SER 100 -8.233 24.792 30.015 1.000 14.759 . 100 SER AAA HA c 1 ATOM 1599 C CB . SER AAA 1 100 CB . SER 100 -8.397 22.843 30.622 1.000 15.294 . 100 SER AAA CB . 1 ATOM 1600 H HB3 . SER AAA 1 100 HB3 . SER 100 -8.990 23.053 31.378 1.000 15.338 . 100 SER AAA HB3 c 1 ATOM 1601 H HB2 . SER AAA 1 100 HB2 . SER 100 -7.778 22.137 30.917 1.000 15.335 . 100 SER AAA HB2 c 1 ATOM 1602 O OG . SER AAA 1 100 OG . SER 100 -9.180 22.349 29.550 1.000 15.998 . 100 SER AAA OG . 1 ATOM 1603 H HG . SER AAA 1 100 HG . SER 100 -9.607 21.652 29.825 0.000 15.780 . 100 SER AAA HG c 1 ATOM 1604 C C . SER AAA 1 100 C . SER 100 -6.830 24.520 31.511 1.000 14.719 . 100 SER AAA C . 1 ATOM 1605 O O . SER AAA 1 100 O . SER 100 -7.475 24.889 32.499 1.000 14.323 . 100 SER AAA O . 1 ATOM 1607 N N . ASP AAA 1 101 N . ASP 101 -5.506 24.482 31.502 1.000 14.843 . 101 ASP AAA N . 1 ATOM 1608 H H . ASP AAA 1 101 H . ASP 101 -5.012 24.298 30.760 1.000 14.963 . 101 ASP AAA H c 1 ATOM 1609 C CA . ASP AAA 1 101 CA . ASP 101 -4.709 24.749 32.731 1.000 15.514 . 101 ASP AAA CA . 1 ATOM 1610 H HA . ASP AAA 1 101 HA . ASP 101 -5.169 24.290 33.473 1.000 15.316 . 101 ASP AAA HA c 1 ATOM 1611 C CB . ASP AAA 1 101 CB . ASP 101 -3.334 24.134 32.638 1.000 15.518 . 101 ASP AAA CB . 1 ATOM 1612 H HB3 . ASP AAA 1 101 HB3 . ASP 101 -3.422 23.210 32.326 1.000 15.557 . 101 ASP AAA HB3 c 1 ATOM 1613 H HB2 . ASP AAA 1 101 HB2 . ASP 101 -2.950 24.115 33.535 1.000 15.584 . 101 ASP AAA HB2 c 1 ATOM 1614 C CG . ASP AAA 1 101 CG . ASP 101 -2.349 24.850 31.729 1.000 15.661 . 101 ASP AAA CG . 1 ATOM 1615 O OD1 . ASP AAA 1 101 OD1 . ASP 101 -2.682 25.928 31.189 1.000 16.857 . 101 ASP AAA OD1 . 1 ATOM 1616 O OD2 . ASP AAA 1 101 OD2 . ASP 101 -1.265 24.288 31.528 1.000 17.694 . 101 ASP AAA OD2 . 1 ATOM 1617 C C . ASP AAA 1 101 C . ASP 101 -4.581 26.232 33.127 1.000 15.170 . 101 ASP AAA C . 1 ATOM 1618 O O . ASP AAA 1 101 O . ASP 101 -3.915 26.510 34.145 1.000 15.012 . 101 ASP AAA O . 1 ATOM 1620 N N . GLY AAA 1 102 N . GLY 102 -5.153 27.173 32.394 1.000 15.896 . 102 GLY AAA N . 1 ATOM 1621 H H . GLY AAA 1 102 H . GLY 102 -5.610 27.003 31.627 1.000 15.425 . 102 GLY AAA H c 1 ATOM 1622 C CA . GLY AAA 1 102 CA . GLY 102 -5.071 28.590 32.777 1.000 14.669 . 102 GLY AAA CA . 1 ATOM 1623 H HA3 . GLY AAA 1 102 HA3 . GLY 102 -4.507 28.671 33.586 1.000 15.006 . 102 GLY AAA HA3 c 1 ATOM 1624 H HA2 . GLY AAA 1 102 HA2 . GLY 102 -5.979 28.900 33.021 1.000 15.006 . 102 GLY AAA HA2 c 1 ATOM 1625 C C . GLY AAA 1 102 C . GLY 102 -4.514 29.504 31.699 1.000 14.907 . 102 GLY AAA C . 1 ATOM 1626 O O . GLY AAA 1 102 O . GLY 102 -4.963 30.663 31.614 1.000 13.837 . 102 GLY AAA O . 1 ATOM 1628 N N . ASN AAA 1 103 N . ASN 103 -3.597 29.035 30.875 1.000 14.553 . 103 ASN AAA N . 1 ATOM 1629 H H . ASN AAA 1 103 H . ASN 103 -3.303 28.172 30.873 1.000 14.570 . 103 ASN AAA H c 1 ATOM 1630 C CA . ASN AAA 1 103 CA . ASN 103 -2.964 29.928 29.872 1.000 14.268 . 103 ASN AAA CA . 1 ATOM 1631 H HA . ASN AAA 1 103 HA . ASN 103 -3.210 30.856 30.088 1.000 14.568 . 103 ASN AAA HA c 1 ATOM 1632 C CB . ASN AAA 1 103 CB . ASN 103 -1.444 29.823 29.995 1.000 15.856 . 103 ASN AAA CB . 1 ATOM 1633 H HB3 . ASN AAA 1 103 HB3 . ASN 103 -1.028 30.377 29.304 1.000 15.797 . 103 ASN AAA HB3 c 1 ATOM 1634 H HB2 . ASN AAA 1 103 HB2 . ASN 103 -1.176 28.894 29.843 1.000 15.814 . 103 ASN AAA HB2 c 1 ATOM 1635 C CG . ASN AAA 1 103 CG . ASN 103 -0.943 30.266 31.349 1.000 17.345 . 103 ASN AAA CG . 1 ATOM 1636 O OD1 . ASN AAA 1 103 OD1 . ASN 103 -1.555 31.153 31.960 1.000 18.842 . 103 ASN AAA OD1 . 1 ATOM 1637 N ND2 . ASN AAA 1 103 ND2 . ASN 103 0.185 29.699 31.793 1.000 19.137 . 103 ASN AAA ND2 . 1 ATOM 1638 H HD21 . ASN AAA 1 103 HD21 . ASN 103 0.516 29.927 32.583 0.000 18.850 . 103 ASN AAA HD21 c 1 ATOM 1639 H HD22 . ASN AAA 1 103 HD22 . ASN 103 0.594 29.083 31.308 0.000 18.850 . 103 ASN AAA HD22 c 1 ATOM 1640 C C . ASN AAA 1 103 C . ASN 103 -3.465 29.625 28.474 1.000 14.006 . 103 ASN AAA C . 1 ATOM 1641 O O . ASN AAA 1 103 O . ASN 103 -2.855 30.118 27.521 1.000 14.085 . 103 ASN AAA O . 1 ATOM 1643 N N . GLY AAA 1 104 N . GLY 104 -4.570 28.900 28.336 1.000 12.925 . 104 GLY AAA N . 1 ATOM 1644 H H . GLY AAA 1 104 H . GLY 104 -5.003 28.517 29.038 1.000 13.010 . 104 GLY AAA H c 1 ATOM 1645 C CA . GLY AAA 1 104 CA . GLY 104 -5.190 28.657 27.034 1.000 12.234 . 104 GLY AAA CA . 1 ATOM 1646 H HA3 . GLY AAA 1 104 HA3 . GLY 104 -5.605 29.497 26.715 1.000 12.571 . 104 GLY AAA HA3 c 1 ATOM 1647 H HA2 . GLY AAA 1 104 HA2 . GLY 104 -5.905 27.983 27.139 1.000 12.576 . 104 GLY AAA HA2 c 1 ATOM 1648 C C . GLY AAA 1 104 C . GLY 104 -4.182 28.168 26.000 1.000 13.002 . 104 GLY AAA C . 1 ATOM 1649 O O . GLY AAA 1 104 O . GLY 104 -3.270 27.379 26.312 1.000 12.374 . 104 GLY AAA O . 1 ATOM 1651 N N . MET AAA 1 105 N . MET 105 -4.295 28.628 24.764 1.000 11.634 . 105 MET AAA N . 1 ATOM 1652 H H . MET AAA 1 105 H . MET 105 -4.893 29.262 24.510 1.000 11.859 . 105 MET AAA H c 1 ATOM 1653 C CA . MET AAA 1 105 CA . MET 105 -3.393 28.137 23.695 1.000 11.334 . 105 MET AAA CA . 1 ATOM 1654 H HA . MET AAA 1 105 HA . MET 105 -3.254 27.178 23.867 1.000 11.303 . 105 MET AAA HA c 1 ATOM 1655 C CB . MET AAA 1 105 CB . MET 105 -4.027 28.267 22.309 1.000 10.386 . 105 MET AAA CB . 1 ATOM 1656 H HB3 . MET AAA 1 105 HB3 . MET 105 -3.336 28.173 21.625 1.000 10.399 . 105 MET AAA HB3 c 1 ATOM 1657 H HB2 . MET AAA 1 105 HB2 . MET 105 -4.430 29.153 22.218 1.000 10.397 . 105 MET AAA HB2 c 1 ATOM 1658 C CG . MET AAA 1 105 CG . MET 105 -5.104 27.185 22.102 1.000 9.542 . 105 MET AAA CG . 1 ATOM 1659 H HG3 . MET AAA 1 105 HG3 . MET 105 -5.889 27.400 22.651 1.000 10.083 . 105 MET AAA HG3 c 1 ATOM 1660 H HG2 . MET AAA 1 105 HG2 . MET 105 -4.755 26.318 22.398 1.000 10.084 . 105 MET AAA HG2 c 1 ATOM 1661 S SD . MET AAA 1 105 SD . MET 105 -5.616 27.051 20.373 1.000 11.069 . 105 MET AAA SD . 1 ATOM 1662 C CE . MET AAA 1 105 CE . MET 105 -4.288 26.014 19.732 1.000 10.990 . 105 MET AAA CE . 1 ATOM 1663 H HE3 . MET AAA 1 105 HE3 . MET 105 -4.267 25.182 20.219 1.000 11.013 . 105 MET AAA HE3 c 1 ATOM 1664 H HE2 . MET AAA 1 105 HE2 . MET 105 -3.444 26.471 19.839 1.000 11.014 . 105 MET AAA HE2 c 1 ATOM 1665 H HE1 . MET AAA 1 105 HE1 . MET 105 -4.442 25.837 18.796 1.000 11.014 . 105 MET AAA HE1 c 1 ATOM 1666 C C . MET AAA 1 105 C . MET 105 -2.003 28.800 23.744 1.000 11.894 . 105 MET AAA C . 1 ATOM 1667 O O . MET AAA 1 105 O . MET 105 -1.153 28.437 22.921 1.000 11.740 . 105 MET AAA O . 1 ATOM 1669 N N . ASN AAA 1 106 N . ASN 106 -1.731 29.698 24.680 1.000 11.941 . 106 ASN AAA N . 1 ATOM 1670 H H . ASN AAA 1 106 H . ASN 106 -2.329 29.969 25.309 1.000 12.086 . 106 ASN AAA H c 1 ATOM 1671 C CA . ASN AAA 1 106 CA . ASN 106 -0.409 30.359 24.767 1.000 12.615 . 106 ASN AAA CA . 1 ATOM 1672 H HA . ASN AAA 1 106 HA . ASN 106 -0.177 30.714 23.877 1.000 12.119 . 106 ASN AAA HA c 1 ATOM 1673 C CB . ASN AAA 1 106 CB . ASN 106 -0.423 31.544 25.763 1.000 11.812 . 106 ASN AAA CB . 1 ATOM 1674 H HB3 . ASN AAA 1 106 HB3 . ASN 106 0.497 31.841 25.915 1.000 12.252 . 106 ASN AAA HB3 c 1 ATOM 1675 H HB2 . ASN AAA 1 106 HB2 . ASN 106 -0.786 31.237 26.618 1.000 12.255 . 106 ASN AAA HB2 c 1 ATOM 1676 C CG . ASN AAA 1 106 CG . ASN 106 -1.246 32.720 25.266 1.000 12.913 . 106 ASN AAA CG . 1 ATOM 1677 O OD1 . ASN AAA 1 106 OD1 . ASN 106 -0.872 33.304 24.258 1.000 12.234 . 106 ASN AAA OD1 . 1 ATOM 1678 N ND2 . ASN AAA 1 106 ND2 . ASN 106 -2.375 32.992 25.943 1.000 12.840 . 106 ASN AAA ND2 . 1 ATOM 1679 H HD21 . ASN AAA 1 106 HD21 . ASN 106 -2.889 33.666 25.683 0.000 12.150 . 106 ASN AAA HD21 c 1 ATOM 1680 H HD22 . ASN AAA 1 106 HD22 . ASN 106 -2.606 32.502 26.637 0.000 12.150 . 106 ASN AAA HD22 c 1 ATOM 1681 C C . ASN AAA 1 106 C . ASN 106 0.631 29.297 25.162 1.000 11.534 . 106 ASN AAA C . 1 ATOM 1682 O O . ASN AAA 1 106 O . ASN 106 1.844 29.521 25.160 1.000 12.614 . 106 ASN AAA O . 1 ATOM 1684 N N . ALA AAA 1 107 N . ALA 107 0.143 28.133 25.587 1.000 11.510 . 107 ALA AAA N . 1 ATOM 1685 H H . ALA AAA 1 107 H . ALA 107 -0.738 27.952 25.717 1.000 11.515 . 107 ALA AAA H c 1 ATOM 1686 C CA . ALA AAA 1 107 CA . ALA 107 1.030 27.008 25.973 1.000 11.494 . 107 ALA AAA CA . 1 ATOM 1687 H HA . ALA AAA 1 107 HA . ALA 107 1.666 27.320 26.659 1.000 11.577 . 107 ALA AAA HA c 1 ATOM 1688 C CB . ALA AAA 1 107 CB . ALA 107 0.209 25.874 26.534 1.000 11.673 . 107 ALA AAA CB . 1 ATOM 1689 H HB3 . ALA AAA 1 107 HB3 . ALA 107 -0.442 25.585 25.873 1.000 11.629 . 107 ALA AAA HB3 c 1 ATOM 1690 H HB2 . ALA AAA 1 107 HB2 . ALA 107 -0.254 26.174 27.333 1.000 11.667 . 107 ALA AAA HB2 c 1 ATOM 1691 H HB1 . ALA AAA 1 107 HB1 . ALA 107 0.792 25.130 26.759 1.000 11.629 . 107 ALA AAA HB1 c 1 ATOM 1692 C C . ALA AAA 1 107 C . ALA 107 1.811 26.539 24.754 1.000 11.727 . 107 ALA AAA C . 1 ATOM 1693 O O . ALA AAA 1 107 O . ALA 107 2.903 25.982 24.893 1.000 12.138 . 107 ALA AAA O . 1 ATOM 1695 N N . TRP AAA 1 108 N . TRP 108 1.259 26.792 23.568 1.000 11.424 . 108 TRP AAA N . 1 ATOM 1696 H H . TRP AAA 1 108 H . TRP 108 0.437 27.167 23.455 1.000 11.667 . 108 TRP AAA H c 1 ATOM 1697 C CA . TRP AAA 1 108 CA . TRP 108 1.944 26.434 22.303 1.000 12.187 . 108 TRP AAA CA . 1 ATOM 1698 H HA . TRP AAA 1 108 HA . TRP 108 2.641 25.761 22.485 1.000 11.699 . 108 TRP AAA HA c 1 ATOM 1699 C CB . TRP AAA 1 108 CB . TRP 108 0.928 25.853 21.309 1.000 10.854 . 108 TRP AAA CB . 1 ATOM 1700 H HB3 . TRP AAA 1 108 HB3 . TRP 108 1.338 25.831 20.421 1.000 11.256 . 108 TRP AAA HB3 c 1 ATOM 1701 H HB2 . TRP AAA 1 108 HB2 . TRP 108 0.152 26.448 21.270 1.000 11.257 . 108 TRP AAA HB2 c 1 ATOM 1702 C CG . TRP AAA 1 108 CG . TRP 108 0.477 24.474 21.682 1.000 11.280 . 108 TRP AAA CG . 1 ATOM 1703 C CD1 . TRP AAA 1 108 CD1 . TRP 108 1.145 23.305 21.456 1.000 10.680 . 108 TRP AAA CD1 . 1 ATOM 1704 H HD1 . TRP AAA 1 108 HD1 . TRP 108 1.961 23.222 20.988 1.000 11.210 . 108 TRP AAA HD1 c 1 ATOM 1705 N NE1 . TRP AAA 1 108 NE1 . TRP 108 0.432 22.257 21.967 1.000 12.624 . 108 TRP AAA NE1 . 1 ATOM 1706 H HE1 . TRP AAA 1 108 HE1 . TRP 108 0.680 21.421 21.947 1.000 11.788 . 108 TRP AAA HE1 c 1 ATOM 1707 C CE2 . TRP AAA 1 108 CE2 . TRP 108 -0.696 22.726 22.569 1.000 11.725 . 108 TRP AAA CE2 . 1 ATOM 1708 C CD2 . TRP AAA 1 108 CD2 . TRP 108 -0.687 24.126 22.431 1.000 10.579 . 108 TRP AAA CD2 . 1 ATOM 1709 C CE3 . TRP AAA 1 108 CE3 . TRP 108 -1.783 24.835 22.926 1.000 10.904 . 108 TRP AAA CE3 . 1 ATOM 1710 H HE3 . TRP AAA 1 108 HE3 . TRP 108 -1.806 25.776 22.868 1.000 10.736 . 108 TRP AAA HE3 c 1 ATOM 1711 C CZ3 . TRP AAA 1 108 CZ3 . TRP 108 -2.766 24.148 23.618 1.000 10.293 . 108 TRP AAA CZ3 . 1 ATOM 1712 H HZ3 . TRP AAA 1 108 HZ3 . TRP 108 -3.491 24.630 23.982 1.000 10.601 . 108 TRP AAA HZ3 c 1 ATOM 1713 C CH2 . TRP AAA 1 108 CH2 . TRP 108 -2.728 22.769 23.778 1.000 10.710 . 108 TRP AAA CH2 . 1 ATOM 1714 H HH2 . TRP AAA 1 108 HH2 . TRP 108 -3.433 22.331 24.221 1.000 10.702 . 108 TRP AAA HH2 c 1 ATOM 1715 C CZ2 . TRP AAA 1 108 CZ2 . TRP 108 -1.684 22.034 23.270 1.000 10.860 . 108 TRP AAA CZ2 . 1 ATOM 1716 H HZ2 . TRP AAA 1 108 HZ2 . TRP 108 -1.664 21.095 23.342 1.000 11.020 . 108 TRP AAA HZ2 c 1 ATOM 1717 C C . TRP AAA 1 108 C . TRP 108 2.578 27.724 21.805 1.000 11.774 . 108 TRP AAA C . 1 ATOM 1718 O O . TRP AAA 1 108 O . TRP 108 1.851 28.597 21.263 1.000 11.565 . 108 TRP AAA O . 1 ATOM 1720 N N . VAL AAA 1 109 N . VAL 109 3.893 27.884 21.990 1.000 11.606 . 109 VAL AAA N . 1 ATOM 1721 H H . VAL AAA 1 109 H . VAL 109 4.433 27.258 22.371 1.000 11.619 . 109 VAL AAA H c 1 ATOM 1722 C CA . VAL AAA 1 109 CA . VAL 109 4.570 29.124 21.559 1.000 11.499 . 109 VAL AAA CA . 1 ATOM 1723 H HA . VAL AAA 1 109 HA . VAL 109 4.194 29.868 22.064 1.000 11.675 . 109 VAL AAA HA c 1 ATOM 1724 C CB A VAL AAA 1 109 CB . VAL 109 6.088 29.032 21.873 0.500 11.631 . 109 VAL AAA CB . 1 ATOM 1725 H HB . VAL AAA 1 109 HB . VAL 109 6.410 28.170 21.512 0.500 11.649 . 109 VAL AAA HB c 1 ATOM 1726 C CG1 A VAL AAA 1 109 CG1 . VAL 109 6.890 30.140 21.197 0.500 12.317 . 109 VAL AAA CG1 . 1 ATOM 1727 H HG11 . VAL AAA 1 109 HG11 . VAL 109 6.954 29.961 20.240 0.500 12.102 . 109 VAL AAA HG11 c 1 ATOM 1728 H HG12 . VAL AAA 1 109 HG12 . VAL 109 7.786 30.172 21.582 0.500 12.102 . 109 VAL AAA HG12 c 1 ATOM 1729 H HG13 . VAL AAA 1 109 HG13 . VAL 109 6.445 30.997 21.339 0.500 12.102 . 109 VAL AAA HG13 c 1 ATOM 1730 C CG2 A VAL AAA 1 109 CG2 . VAL 109 6.375 29.042 23.349 0.500 11.129 . 109 VAL AAA CG2 . 1 ATOM 1731 H HG21 . VAL AAA 1 109 HG21 . VAL 109 6.040 29.868 23.739 0.500 11.285 . 109 VAL AAA HG21 c 1 ATOM 1732 H HG22 . VAL AAA 1 109 HG22 . VAL 109 7.335 28.983 23.494 0.500 11.285 . 109 VAL AAA HG22 c 1 ATOM 1733 H HG23 . VAL AAA 1 109 HG23 . VAL 109 5.937 28.284 23.772 0.500 11.297 . 109 VAL AAA HG23 c 1 ATOM 1734 C C . VAL AAA 1 109 C . VAL 109 4.336 29.381 20.077 1.000 12.193 . 109 VAL AAA C . 1 ATOM 1735 O O . VAL AAA 1 109 O . VAL 109 4.201 30.529 19.692 1.000 12.141 . 109 VAL AAA O . 1 ATOM 1737 N N . ALA AAA 1 110 N . ALA 110 4.368 28.349 19.229 1.000 11.690 . 110 ALA AAA N . 1 ATOM 1738 H H . ALA AAA 1 110 H . ALA 110 4.503 27.479 19.466 1.000 11.739 . 110 ALA AAA H c 1 ATOM 1739 C CA . ALA AAA 1 110 CA . ALA 110 4.185 28.549 17.780 1.000 11.405 . 110 ALA AAA CA . 1 ATOM 1740 H HA . ALA AAA 1 110 HA . ALA 110 4.850 29.207 17.470 1.000 11.663 . 110 ALA AAA HA c 1 ATOM 1741 C CB . ALA AAA 1 110 CB . ALA 110 4.404 27.254 17.036 1.000 12.347 . 110 ALA AAA CB . 1 ATOM 1742 H HB3 . ALA AAA 1 110 HB3 . ALA 110 3.746 26.598 17.323 1.000 12.048 . 110 ALA AAA HB3 c 1 ATOM 1743 H HB2 . ALA AAA 1 110 HB2 . ALA 110 5.297 26.918 17.223 1.000 12.049 . 110 ALA AAA HB2 c 1 ATOM 1744 H HB1 . ALA AAA 1 110 HB1 . ALA 110 4.311 27.408 16.080 1.000 12.049 . 110 ALA AAA HB1 c 1 ATOM 1745 C C . ALA AAA 1 110 C . ALA 110 2.780 29.103 17.482 1.000 11.556 . 110 ALA AAA C . 1 ATOM 1746 O O . ALA AAA 1 110 O . ALA 110 2.620 29.843 16.498 1.000 11.051 . 110 ALA AAA O . 1 ATOM 1748 N N . TRP AAA 1 111 N . TRP 111 1.806 28.769 18.303 1.000 11.705 . 111 TRP AAA N . 1 ATOM 1749 H H . TRP AAA 1 111 H . TRP 111 1.900 28.196 19.005 1.000 11.635 . 111 TRP AAA H c 1 ATOM 1750 C CA . TRP AAA 1 111 CA . TRP 111 0.445 29.301 18.123 1.000 11.555 . 111 TRP AAA CA . 1 ATOM 1751 H HA . TRP AAA 1 111 HA . TRP 111 0.182 29.176 17.183 1.000 11.708 . 111 TRP AAA HA c 1 ATOM 1752 C CB . TRP AAA 1 111 CB . TRP 111 -0.571 28.590 19.007 1.000 11.767 . 111 TRP AAA CB . 1 ATOM 1753 H HB3 . TRP AAA 1 111 HB3 . TRP 111 -0.248 28.601 19.929 1.000 11.481 . 111 TRP AAA HB3 c 1 ATOM 1754 H HB2 . TRP AAA 1 111 HB2 . TRP 111 -0.640 27.657 18.718 1.000 11.481 . 111 TRP AAA HB2 c 1 ATOM 1755 C CG . TRP AAA 1 111 CG . TRP 111 -1.915 29.228 18.948 1.000 10.792 . 111 TRP AAA CG . 1 ATOM 1756 C CD1 . TRP AAA 1 111 CD1 . TRP 111 -2.897 28.986 18.021 1.000 10.227 . 111 TRP AAA CD1 . 1 ATOM 1757 H HD1 . TRP AAA 1 111 HD1 . TRP 111 -2.822 28.389 17.293 1.000 10.481 . 111 TRP AAA HD1 c 1 ATOM 1758 N NE1 . TRP AAA 1 111 NE1 . TRP 111 -3.969 29.821 18.231 1.000 10.614 . 111 TRP AAA NE1 . 1 ATOM 1759 H HE1 . TRP AAA 1 111 HE1 . TRP 111 -4.708 29.824 17.770 1.000 10.601 . 111 TRP AAA HE1 c 1 ATOM 1760 C CE2 . TRP AAA 1 111 CE2 . TRP 111 -3.709 30.573 19.345 1.000 10.903 . 111 TRP AAA CE2 . 1 ATOM 1761 C CD2 . TRP AAA 1 111 CD2 . TRP 111 -2.421 30.234 19.821 1.000 10.571 . 111 TRP AAA CD2 . 1 ATOM 1762 C CE3 . TRP AAA 1 111 CE3 . TRP 111 -1.930 30.870 20.967 1.000 10.595 . 111 TRP AAA CE3 . 1 ATOM 1763 H HE3 . TRP AAA 1 111 HE3 . TRP 111 -1.060 30.689 21.286 1.000 10.736 . 111 TRP AAA HE3 c 1 ATOM 1764 C CZ3 . TRP AAA 1 111 CZ3 . TRP 111 -2.722 31.850 21.557 1.000 11.279 . 111 TRP AAA CZ3 . 1 ATOM 1765 H HZ3 . TRP AAA 1 111 HZ3 . TRP 111 -2.410 32.292 22.330 1.000 10.861 . 111 TRP AAA HZ3 c 1 ATOM 1766 C CH2 . TRP AAA 1 111 CH2 . TRP 111 -3.991 32.141 21.081 1.000 10.320 . 111 TRP AAA CH2 . 1 ATOM 1767 H HH2 . TRP AAA 1 111 HH2 . TRP 111 -4.509 32.791 21.522 1.000 10.554 . 111 TRP AAA HH2 c 1 ATOM 1768 C CZ2 . TRP AAA 1 111 CZ2 . TRP 111 -4.503 31.522 19.970 1.000 10.300 . 111 TRP AAA CZ2 . 1 ATOM 1769 H HZ2 . TRP AAA 1 111 HZ2 . TRP 111 -5.363 31.726 19.646 1.000 10.479 . 111 TRP AAA HZ2 c 1 ATOM 1770 C C . TRP AAA 1 111 C . TRP 111 0.469 30.790 18.447 1.000 12.015 . 111 TRP AAA C . 1 ATOM 1771 O O . TRP AAA 1 111 O . TRP 111 -0.088 31.577 17.684 1.000 11.794 . 111 TRP AAA O . 1 ATOM 1773 N N . ARG AAA 1 112 N . ARG 112 1.051 31.135 19.578 1.000 11.697 . 112 ARG AAA N . 1 ATOM 1774 H H . ARG AAA 1 112 H . ARG 112 1.434 30.548 20.161 1.000 11.818 . 112 ARG AAA H c 1 ATOM 1775 C CA . ARG AAA 1 112 CA . ARG 112 1.097 32.560 19.971 1.000 11.889 . 112 ARG AAA CA . 1 ATOM 1776 H HA . ARG AAA 1 112 HA . ARG 112 0.172 32.889 20.045 1.000 11.951 . 112 ARG AAA HA c 1 ATOM 1777 C CB . ARG AAA 1 112 CB . ARG 112 1.790 32.741 21.319 1.000 13.094 . 112 ARG AAA CB . 1 ATOM 1778 H HB3 . ARG AAA 1 112 HB3 . ARG 112 2.690 32.356 21.269 1.000 13.275 . 112 ARG AAA HB3 c 1 ATOM 1779 H HB2 . ARG AAA 1 112 HB2 . ARG 112 1.287 32.253 22.004 1.000 13.275 . 112 ARG AAA HB2 c 1 ATOM 1780 C CG . ARG AAA 1 112 CG . ARG 112 1.895 34.218 21.725 1.000 15.281 . 112 ARG AAA CG . 1 ATOM 1781 H HG3 . ARG AAA 1 112 HG3 . ARG 112 1.027 34.649 21.574 1.000 15.179 . 112 ARG AAA HG3 c 1 ATOM 1782 H HG2 . ARG AAA 1 112 HG2 . ARG 112 2.549 34.661 21.145 1.000 15.183 . 112 ARG AAA HG2 c 1 ATOM 1783 C CD . ARG AAA 1 112 CD . ARG 112 2.306 34.449 23.192 1.000 17.327 . 112 ARG AAA CD . 1 ATOM 1784 H HD3 . ARG AAA 1 112 HD3 . ARG 112 1.557 34.197 23.772 1.000 17.106 . 112 ARG AAA HD3 c 1 ATOM 1785 H HD2 . ARG AAA 1 112 HD2 . ARG 112 2.474 35.405 23.330 1.000 17.130 . 112 ARG AAA HD2 c 1 ATOM 1786 N NE . ARG AAA 1 112 NE . ARG 112 3.486 33.694 23.602 1.000 18.642 . 112 ARG AAA NE . 1 ATOM 1787 H HE . ARG AAA 1 112 HE . ARG 112 3.373 32.995 24.112 1.000 18.960 . 112 ARG AAA HE c 1 ATOM 1788 C CZ . ARG AAA 1 112 CZ . ARG 112 4.730 34.008 23.232 1.000 20.864 . 112 ARG AAA CZ . 1 ATOM 1789 N NH1 . ARG AAA 1 112 NH1 . ARG 112 4.931 35.073 22.471 1.000 21.546 . 112 ARG AAA NH1 . 1 ATOM 1790 H HH11 . ARG AAA 1 112 HH11 . ARG 112 4.257 35.558 22.195 1.000 21.155 . 112 ARG AAA HH11 c 1 ATOM 1791 H HH12 . ARG AAA 1 112 HH12 . ARG 112 5.749 35.286 22.230 1.000 21.195 . 112 ARG AAA HH12 c 1 ATOM 1792 N NH2 . ARG AAA 1 112 NH2 . ARG 112 5.768 33.305 23.644 1.000 21.625 . 112 ARG AAA NH2 . 1 ATOM 1793 H HH21 . ARG AAA 1 112 HH21 . ARG 112 5.644 32.598 24.156 1.000 21.253 . 112 ARG AAA HH21 c 1 ATOM 1794 H HH22 . ARG AAA 1 112 HH22 . ARG 112 6.581 33.532 23.392 1.000 21.253 . 112 ARG AAA HH22 c 1 ATOM 1795 C C . ARG AAA 1 112 C . ARG 112 1.826 33.388 18.914 1.000 11.265 . 112 ARG AAA C . 1 ATOM 1796 O O . ARG AAA 1 112 O . ARG 112 1.360 34.509 18.556 1.000 11.769 . 112 ARG AAA O . 1 ATOM 1798 N N . ASN AAA 1 113 N . ASN 113 2.935 32.883 18.381 1.000 11.993 . 113 ASN AAA N . 1 ATOM 1799 H H . ASN AAA 1 113 H . ASN 113 3.248 32.048 18.567 1.000 11.719 . 113 ASN AAA H c 1 ATOM 1800 C CA . ASN AAA 1 113 CA . ASN 113 3.756 33.649 17.437 1.000 11.550 . 113 ASN AAA CA . 1 ATOM 1801 H HA . ASN AAA 1 113 HA . ASN 113 3.711 34.595 17.711 1.000 11.875 . 113 ASN AAA HA c 1 ATOM 1802 C CB . ASN AAA 1 113 CB . ASN 113 5.222 33.240 17.510 1.000 12.879 . 113 ASN AAA CB . 1 ATOM 1803 H HB3 . ASN AAA 1 113 HB3 . ASN 113 5.709 33.650 16.767 1.000 12.687 . 113 ASN AAA HB3 c 1 ATOM 1804 H HB2 . ASN AAA 1 113 HB2 . ASN 113 5.288 32.268 17.422 1.000 12.688 . 113 ASN AAA HB2 c 1 ATOM 1805 C CG . ASN AAA 1 113 CG . ASN 113 5.852 33.669 18.820 1.000 13.495 . 113 ASN AAA CG . 1 ATOM 1806 O OD1 . ASN AAA 1 113 OD1 . ASN 113 5.519 34.767 19.325 1.000 13.404 . 113 ASN AAA OD1 . 1 ATOM 1807 N ND2 . ASN AAA 1 113 ND2 . ASN 113 6.805 32.877 19.334 1.000 12.193 . 113 ASN AAA ND2 . 1 ATOM 1808 H HD21 . ASN AAA 1 113 HD21 . ASN 113 7.197 33.088 20.096 0.000 12.400 . 113 ASN AAA HD21 c 1 ATOM 1809 H HD22 . ASN AAA 1 113 HD22 . ASN 113 7.045 32.132 18.910 0.000 12.400 . 113 ASN AAA HD22 c 1 ATOM 1810 C C . ASN AAA 1 113 C . ASN 113 3.307 33.577 15.995 1.000 11.516 . 113 ASN AAA C . 1 ATOM 1811 O O . ASN AAA 1 113 O . ASN 113 3.654 34.494 15.224 1.000 11.936 . 113 ASN AAA O . 1 ATOM 1813 N N . ARG AAA 1 114 N . ARG 114 2.573 32.571 15.595 1.000 11.173 . 114 ARG AAA N . 1 ATOM 1814 H H . ARG AAA 1 114 H . ARG 114 2.274 31.907 16.141 1.000 11.568 . 114 ARG AAA H c 1 ATOM 1815 C CA . ARG AAA 1 114 CA . ARG 114 2.222 32.426 14.159 1.000 12.557 . 114 ARG AAA CA . 1 ATOM 1816 H HA . ARG AAA 1 114 HA . ARG 114 2.532 33.235 13.696 1.000 11.964 . 114 ARG AAA HA c 1 ATOM 1817 C CB . ARG AAA 1 114 CB . ARG 114 2.997 31.246 13.586 1.000 11.667 . 114 ARG AAA CB . 1 ATOM 1818 H HB3 . ARG AAA 1 114 HB3 . ARG 114 2.920 31.263 12.609 1.000 11.852 . 114 ARG AAA HB3 c 1 ATOM 1819 H HB2 . ARG AAA 1 114 HB2 . ARG 114 2.593 30.414 13.909 1.000 11.851 . 114 ARG AAA HB2 c 1 ATOM 1820 C CG . ARG AAA 1 114 CG . ARG 114 4.494 31.267 13.976 1.000 11.591 . 114 ARG AAA CG . 1 ATOM 1821 H HG3 . ARG AAA 1 114 HG3 . ARG 114 4.566 31.321 14.952 1.000 11.607 . 114 ARG AAA HG3 c 1 ATOM 1822 H HG2 . ARG AAA 1 114 HG2 . ARG 114 4.905 32.077 13.605 1.000 11.608 . 114 ARG AAA HG2 c 1 ATOM 1823 C CD . ARG AAA 1 114 CD . ARG 114 5.282 30.085 13.517 1.000 11.587 . 114 ARG AAA CD . 1 ATOM 1824 H HD3 . ARG AAA 1 114 HD3 . ARG 114 4.852 29.262 13.835 1.000 11.608 . 114 ARG AAA HD3 c 1 ATOM 1825 H HD2 . ARG AAA 1 114 HD2 . ARG 114 6.184 30.127 13.900 1.000 11.607 . 114 ARG AAA HD2 c 1 ATOM 1826 N NE . ARG AAA 1 114 NE . ARG 114 5.370 30.059 12.061 1.000 11.682 . 114 ARG AAA NE . 1 ATOM 1827 H HE . ARG AAA 1 114 HE . ARG 114 4.969 30.694 11.616 1.000 11.672 . 114 ARG AAA HE c 1 ATOM 1828 C CZ . ARG AAA 1 114 CZ . ARG 114 6.150 29.221 11.376 1.000 11.740 . 114 ARG AAA CZ . 1 ATOM 1829 N NH1 . ARG AAA 1 114 NH1 . ARG 114 6.768 28.259 12.035 1.000 10.691 . 114 ARG AAA NH1 . 1 ATOM 1830 H HH11 . ARG AAA 1 114 HH11 . ARG 114 6.732 28.226 12.911 1.000 11.082 . 114 ARG AAA HH11 c 1 ATOM 1831 H HH12 . ARG AAA 1 114 HH12 . ARG 114 7.265 27.682 11.596 1.000 11.080 . 114 ARG AAA HH12 c 1 ATOM 1832 N NH2 . ARG AAA 1 114 NH2 . ARG 114 6.196 29.271 10.045 1.000 12.631 . 114 ARG AAA NH2 . 1 ATOM 1833 H HH21 . ARG AAA 1 114 HH21 . ARG 114 5.755 29.900 9.613 1.000 12.264 . 114 ARG AAA HH21 c 1 ATOM 1834 H HH22 . ARG AAA 1 114 HH22 . ARG 114 6.681 28.686 9.599 1.000 12.264 . 114 ARG AAA HH22 c 1 ATOM 1835 C C . ARG AAA 1 114 C . ARG 114 0.727 32.297 13.890 1.000 11.787 . 114 ARG AAA C . 1 ATOM 1836 O O . ARG AAA 1 114 O . ARG 114 0.316 32.415 12.730 1.000 11.216 . 114 ARG AAA O . 1 ATOM 1838 N N . CYS AAA 1 115 N . CYS 115 -0.080 32.047 14.909 1.000 11.872 . 115 CYS AAA N . 1 ATOM 1839 H H . CYS AAA 1 115 H . CYS 115 0.184 31.946 15.772 1.000 11.580 . 115 CYS AAA H c 1 ATOM 1840 C CA . CYS AAA 1 115 CA . CYS 115 -1.550 31.872 14.714 1.000 10.736 . 115 CYS AAA CA . 1 ATOM 1841 H HA . CYS AAA 1 115 HA . CYS 115 -1.736 31.911 13.748 1.000 11.167 . 115 CYS AAA HA c 1 ATOM 1842 C CB . CYS AAA 1 115 CB . CYS 115 -1.982 30.499 15.223 1.000 10.462 . 115 CYS AAA CB . 1 ATOM 1843 H HB3 . CYS AAA 1 115 HB3 . CYS 115 -2.939 30.383 15.052 1.000 10.704 . 115 CYS AAA HB3 c 1 ATOM 1844 H HB2 . CYS AAA 1 115 HB2 . CYS 115 -1.845 30.463 16.189 1.000 10.702 . 115 CYS AAA HB2 c 1 ATOM 1845 S SG . CYS AAA 1 115 SG . CYS 115 -1.091 29.107 14.465 1.000 11.220 . 115 CYS AAA SG . 1 ATOM 1846 C C . CYS AAA 1 115 C . CYS 115 -2.383 32.944 15.403 1.000 12.245 . 115 CYS AAA C . 1 ATOM 1847 O O . CYS AAA 1 115 O . CYS 115 -3.339 33.480 14.805 1.000 11.615 . 115 CYS AAA O . 1 ATOM 1849 N N . LYS AAA 1 116 N . LYS 116 -2.018 33.288 16.613 1.000 12.580 . 116 LYS AAA N . 1 ATOM 1850 H H . LYS AAA 1 116 H . LYS 116 -1.285 32.944 17.029 1.000 12.578 . 116 LYS AAA H c 1 ATOM 1851 C CA . LYS AAA 1 116 CA . LYS 116 -2.776 34.262 17.418 1.000 12.951 . 116 LYS AAA CA . 1 ATOM 1852 H HA . LYS AAA 1 116 HA . LYS 116 -3.678 33.906 17.588 1.000 12.712 . 116 LYS AAA HA c 1 ATOM 1853 C CB . LYS AAA 1 116 CB . LYS 116 -2.039 34.453 18.747 1.000 12.702 . 116 LYS AAA CB . 1 ATOM 1854 H HB3 . LYS AAA 1 116 HB3 . LYS 116 -1.173 34.871 18.566 1.000 12.804 . 116 LYS AAA HB3 c 1 ATOM 1855 H HB2 . LYS AAA 1 116 HB2 . LYS 116 -1.873 33.572 19.142 1.000 12.804 . 116 LYS AAA HB2 c 1 ATOM 1856 C CG . LYS AAA 1 116 CG . LYS 116 -2.786 35.305 19.762 1.000 12.899 . 116 LYS AAA CG . 1 ATOM 1857 H HG3 . LYS AAA 1 116 HG3 . LYS 116 -3.668 34.913 19.939 1.000 12.864 . 116 LYS AAA HG3 c 1 ATOM 1858 H HG2 . LYS AAA 1 116 HG2 . LYS 116 -2.908 36.213 19.410 1.000 12.864 . 116 LYS AAA HG2 c 1 ATOM 1859 C CD . LYS AAA 1 116 CD . LYS 116 -1.970 35.351 21.043 1.000 12.950 . 116 LYS AAA CD . 1 ATOM 1860 H HD3 . LYS AAA 1 116 HD3 . LYS 116 -1.103 35.768 20.850 1.000 13.093 . 116 LYS AAA HD3 c 1 ATOM 1861 H HD2 . LYS AAA 1 116 HD2 . LYS 116 -1.800 34.434 21.344 1.000 13.090 . 116 LYS AAA HD2 c 1 ATOM 1862 C CE . LYS AAA 1 116 CE . LYS 116 -2.624 36.103 22.150 1.000 13.626 . 116 LYS AAA CE . 1 ATOM 1863 H HE3 . LYS AAA 1 116 HE3 . LYS 116 -3.472 35.676 22.371 1.000 13.578 . 116 LYS AAA HE3 c 1 ATOM 1864 H HE2 . LYS AAA 1 116 HE2 . LYS 116 -2.813 37.014 21.856 1.000 13.578 . 116 LYS AAA HE2 c 1 ATOM 1865 N NZ . LYS AAA 1 116 NZ . LYS 116 -1.780 36.158 23.376 1.000 14.127 . 116 LYS AAA NZ . 1 ATOM 1866 H HZ1 . LYS AAA 1 116 HZ1 . LYS 116 -1.619 35.318 23.676 1.000 13.970 . 116 LYS AAA HZ1 c 1 ATOM 1867 H HZ2 . LYS AAA 1 116 HZ2 . LYS 116 -2.208 36.629 24.022 1.000 13.970 . 116 LYS AAA HZ2 c 1 ATOM 1868 H HZ3 . LYS AAA 1 116 HZ3 . LYS 116 -0.990 36.563 23.187 1.000 13.970 . 116 LYS AAA HZ3 c 1 ATOM 1869 C C . LYS AAA 1 116 C . LYS 116 -2.883 35.592 16.655 1.000 12.323 . 116 LYS AAA C . 1 ATOM 1870 O O . LYS AAA 1 116 O . LYS 116 -1.852 36.079 16.139 1.000 11.879 . 116 LYS AAA O . 1 ATOM 1872 N N . GLY AAA 1 117 N . GLY 117 -4.083 36.170 16.574 1.000 12.483 . 117 GLY AAA N . 1 ATOM 1873 H H . GLY AAA 1 117 H . GLY 117 -4.841 35.794 16.910 1.000 12.404 . 117 GLY AAA H c 1 ATOM 1874 C CA . GLY AAA 1 117 CA . GLY 117 -4.258 37.480 15.922 1.000 12.305 . 117 GLY AAA CA . 1 ATOM 1875 H HA3 . GLY AAA 1 117 HA3 . GLY 117 -3.506 38.068 16.186 1.000 12.530 . 117 GLY AAA HA3 c 1 ATOM 1876 H HA2 . GLY AAA 1 117 HA2 . GLY 117 -5.089 37.894 16.262 1.000 12.512 . 117 GLY AAA HA2 c 1 ATOM 1877 C C . GLY AAA 1 117 C . GLY 117 -4.326 37.417 14.394 1.000 13.067 . 117 GLY AAA C . 1 ATOM 1878 O O . GLY AAA 1 117 O . GLY 117 -4.280 38.459 13.757 1.000 13.441 . 117 GLY AAA O . 1 ATOM 1880 N N . THR AAA 1 118 N . THR 118 -4.438 36.225 13.830 1.000 13.444 . 118 THR AAA N . 1 ATOM 1881 H H . THR AAA 1 118 H . THR 118 -4.477 35.434 14.278 1.000 13.297 . 118 THR AAA H c 1 ATOM 1882 C CA . THR AAA 1 118 CA . THR 118 -4.525 36.080 12.380 1.000 13.218 . 118 THR AAA CA . 1 ATOM 1883 H HA . THR AAA 1 118 HA . THR 118 -4.468 36.978 11.980 1.000 13.503 . 118 THR AAA HA c 1 ATOM 1884 C CB . THR AAA 1 118 CB . THR 118 -3.371 35.234 11.815 1.000 13.941 . 118 THR AAA CB . 1 ATOM 1885 H HB . THR AAA 1 118 HB . THR 118 -3.338 35.363 10.837 1.000 13.699 . 118 THR AAA HB c 1 ATOM 1886 O OG1 . THR AAA 1 118 OG1 . THR 118 -3.604 33.859 12.093 1.000 12.635 . 118 THR AAA OG1 . 1 ATOM 1887 H HG1 . THR AAA 1 118 HG1 . THR 118 -2.968 33.377 11.792 0.000 12.610 . 118 THR AAA HG1 c 1 ATOM 1888 C CG2 . THR AAA 1 118 CG2 . THR 118 -2.025 35.617 12.407 1.000 14.787 . 118 THR AAA CG2 . 1 ATOM 1889 H HG21 . THR AAA 1 118 HG21 . THR 118 -1.881 36.574 12.295 1.000 14.521 . 118 THR AAA HG21 c 1 ATOM 1890 H HG22 . THR AAA 1 118 HG22 . THR 118 -1.318 35.127 11.950 1.000 14.521 . 118 THR AAA HG22 c 1 ATOM 1891 H HG23 . THR AAA 1 118 HG23 . THR 118 -2.011 35.396 13.356 1.000 14.519 . 118 THR AAA HG23 c 1 ATOM 1892 C C . THR AAA 1 118 C . THR 118 -5.854 35.465 11.968 1.000 13.784 . 118 THR AAA C . 1 ATOM 1893 O O . THR AAA 1 118 O . THR 118 -6.660 35.095 12.821 1.000 13.149 . 118 THR AAA O . 1 ATOM 1895 N N . ASP AAA 1 119 N . ASP 119 -6.064 35.433 10.649 1.000 14.178 . 119 ASP AAA N . 1 ATOM 1896 H H . ASP AAA 1 119 H . ASP 119 -5.489 35.803 10.047 1.000 14.070 . 119 ASP AAA H c 1 ATOM 1897 C CA . ASP AAA 1 119 CA . ASP 119 -7.247 34.809 10.047 1.000 14.117 . 119 ASP AAA CA . 1 ATOM 1898 H HA . ASP AAA 1 119 HA . ASP 119 -8.057 35.066 10.548 1.000 14.167 . 119 ASP AAA HA c 1 ATOM 1899 C CB . ASP AAA 1 119 CB . ASP 119 -7.371 35.213 8.576 1.000 14.737 . 119 ASP AAA CB . 1 ATOM 1900 H HB3 . ASP AAA 1 119 HB3 . ASP 119 -6.550 34.978 8.099 1.000 14.721 . 119 ASP AAA HB3 c 1 ATOM 1901 H HB2 . ASP AAA 1 119 HB2 . ASP 119 -7.495 36.182 8.517 1.000 14.723 . 119 ASP AAA HB2 c 1 ATOM 1902 C CG . ASP AAA 1 119 CG . ASP 119 -8.549 34.530 7.894 1.000 15.324 . 119 ASP AAA CG . 1 ATOM 1903 O OD1 . ASP AAA 1 119 OD1 . ASP 119 -9.056 33.531 8.452 1.000 16.014 . 119 ASP AAA OD1 . 1 ATOM 1904 O OD2 . ASP AAA 1 119 OD2 . ASP 119 -8.947 34.988 6.807 1.000 16.758 . 119 ASP AAA OD2 . 1 ATOM 1905 C C . ASP AAA 1 119 C . ASP 119 -7.008 33.308 10.161 1.000 13.727 . 119 ASP AAA C . 1 ATOM 1906 O O . ASP AAA 1 119 O . ASP 119 -6.385 32.721 9.271 1.000 14.465 . 119 ASP AAA O . 1 ATOM 1908 N N . VAL AAA 1 120 N . VAL 120 -7.450 32.697 11.259 1.000 15.040 . 120 VAL AAA N . 1 ATOM 1909 H H . VAL AAA 1 120 H . VAL 120 -7.884 33.133 11.926 1.000 14.390 . 120 VAL AAA H c 1 ATOM 1910 C CA . VAL AAA 1 120 CA . VAL 120 -7.267 31.229 11.488 1.000 13.689 . 120 VAL AAA CA . 1 ATOM 1911 H HA . VAL AAA 1 120 HA . VAL 120 -6.383 30.992 11.161 1.000 13.824 . 120 VAL AAA HA c 1 ATOM 1912 C CB . VAL AAA 1 120 CB . VAL 120 -7.313 30.889 12.992 1.000 13.162 . 120 VAL AAA CB . 1 ATOM 1913 H HB . VAL AAA 1 120 HB . VAL 120 -7.270 29.907 13.094 1.000 13.473 . 120 VAL AAA HB c 1 ATOM 1914 C CG1 . VAL AAA 1 120 CG1 . VAL 120 -6.118 31.509 13.698 1.000 13.452 . 120 VAL AAA CG1 . 1 ATOM 1915 H HG11 . VAL AAA 1 120 HG11 . VAL 120 -5.296 31.179 13.295 1.000 13.362 . 120 VAL AAA HG11 c 1 ATOM 1916 H HG12 . VAL AAA 1 120 HG12 . VAL 120 -6.136 31.267 14.640 1.000 13.357 . 120 VAL AAA HG12 c 1 ATOM 1917 H HG13 . VAL AAA 1 120 HG13 . VAL 120 -6.155 32.477 13.611 1.000 13.364 . 120 VAL AAA HG13 c 1 ATOM 1918 C CG2 . VAL AAA 1 120 CG2 . VAL 120 -8.583 31.397 13.651 1.000 14.034 . 120 VAL AAA CG2 . 1 ATOM 1919 H HG21 . VAL AAA 1 120 HG21 . VAL 120 -8.549 32.368 13.721 1.000 13.761 . 120 VAL AAA HG21 c 1 ATOM 1920 H HG22 . VAL AAA 1 120 HG22 . VAL 120 -8.660 31.012 14.543 1.000 13.749 . 120 VAL AAA HG22 c 1 ATOM 1921 H HG23 . VAL AAA 1 120 HG23 . VAL 120 -9.355 31.136 13.117 1.000 13.758 . 120 VAL AAA HG23 c 1 ATOM 1922 C C . VAL AAA 1 120 C . VAL 120 -8.285 30.403 10.710 1.000 13.619 . 120 VAL AAA C . 1 ATOM 1923 O O . VAL AAA 1 120 O . VAL 120 -8.042 29.237 10.462 1.000 13.493 . 120 VAL AAA O . 1 ATOM 1925 N N . GLN AAA 1 121 N . GLN 121 -9.416 30.983 10.352 1.000 14.163 . 121 GLN AAA N . 1 ATOM 1926 H H . GLN AAA 1 121 H . GLN 121 -9.613 31.850 10.546 1.000 14.078 . 121 GLN AAA H c 1 ATOM 1927 C CA . GLN AAA 1 121 CA . GLN 121 -10.466 30.277 9.612 1.000 14.335 . 121 GLN AAA CA . 1 ATOM 1928 H HA . GLN AAA 1 121 HA . GLN 121 -10.747 29.491 10.131 1.000 14.280 . 121 GLN AAA HA c 1 ATOM 1929 C CB . GLN AAA 1 121 CB . GLN 121 -11.668 31.167 9.358 1.000 14.752 . 121 GLN AAA CB . 1 ATOM 1930 H HB3 . GLN AAA 1 121 HB3 . GLN 121 -11.416 31.859 8.712 1.000 14.550 . 121 GLN AAA HB3 c 1 ATOM 1931 H HB2 . GLN AAA 1 121 HB2 . GLN 121 -11.909 31.612 10.197 1.000 14.551 . 121 GLN AAA HB2 c 1 ATOM 1932 C CG . GLN AAA 1 121 CG . GLN 121 -12.895 30.388 8.830 1.000 14.327 . 121 GLN AAA CG . 1 ATOM 1933 H HG3 . GLN AAA 1 121 HG3 . GLN 121 -13.711 30.873 9.072 1.000 14.374 . 121 GLN AAA HG3 c 1 ATOM 1934 H HG2 . GLN AAA 1 121 HG2 . GLN 121 -12.930 29.509 9.265 1.000 14.374 . 121 GLN AAA HG2 c 1 ATOM 1935 C CD . GLN AAA 1 121 CD . GLN 121 -12.866 30.191 7.318 1.000 14.108 . 121 GLN AAA CD . 1 ATOM 1936 O OE1 . GLN AAA 1 121 OE1 . GLN 121 -12.167 30.954 6.617 1.000 14.525 . 121 GLN AAA OE1 . 1 ATOM 1937 N NE2 . GLN AAA 1 121 NE2 . GLN 121 -13.600 29.197 6.821 1.000 15.468 . 121 GLN AAA NE2 . 1 ATOM 1938 H HE21 . GLN AAA 1 121 HE21 . GLN 121 -13.607 29.055 5.946 0.000 15.670 . 121 GLN AAA HE21 c 1 ATOM 1939 H HE22 . GLN AAA 1 121 HE22 . GLN 121 -14.078 28.689 7.356 0.000 15.670 . 121 GLN AAA HE22 c 1 ATOM 1940 C C . GLN AAA 1 121 C . GLN 121 -9.872 29.809 8.274 1.000 13.810 . 121 GLN AAA C . 1 ATOM 1941 O O . GLN AAA 1 121 O . GLN 121 -10.318 28.832 7.712 1.000 13.157 . 121 GLN AAA O . 1 ATOM 1943 N N . ALA AAA 1 122 N . ALA 122 -8.902 30.549 7.764 1.000 13.972 . 122 ALA AAA N . 1 ATOM 1944 H H . ALA AAA 1 122 H . ALA 122 -8.595 31.328 8.121 1.000 13.770 . 122 ALA AAA H c 1 ATOM 1945 C CA . ALA AAA 1 122 CA . ALA 122 -8.242 30.184 6.495 1.000 13.302 . 122 ALA AAA CA . 1 ATOM 1946 H HA . ALA AAA 1 122 HA . ALA 122 -8.901 30.245 5.766 1.000 13.414 . 122 ALA AAA HA c 1 ATOM 1947 C CB . ALA AAA 1 122 CB . ALA 122 -7.124 31.151 6.228 1.000 12.898 . 122 ALA AAA CB . 1 ATOM 1948 H HB3 . ALA AAA 1 122 HB3 . ALA 122 -6.484 31.118 6.959 1.000 13.022 . 122 ALA AAA HB3 c 1 ATOM 1949 H HB2 . ALA AAA 1 122 HB2 . ALA 122 -7.482 32.051 6.153 1.000 13.023 . 122 ALA AAA HB2 c 1 ATOM 1950 H HB1 . ALA AAA 1 122 HB1 . ALA 122 -6.677 30.911 5.398 1.000 13.022 . 122 ALA AAA HB1 c 1 ATOM 1951 C C . ALA AAA 1 122 C . ALA 122 -7.700 28.754 6.545 1.000 13.526 . 122 ALA AAA C . 1 ATOM 1952 O O . ALA AAA 1 122 O . ALA 122 -7.632 28.087 5.511 1.000 13.849 . 122 ALA AAA O . 1 ATOM 1954 N N . TRP AAA 1 123 N . TRP 123 -7.342 28.245 7.734 1.000 13.088 . 123 TRP AAA N . 1 ATOM 1955 H H . TRP AAA 1 123 H . TRP 123 -7.422 28.697 8.519 1.000 13.543 . 123 TRP AAA H c 1 ATOM 1956 C CA . TRP AAA 1 123 CA . TRP 123 -6.754 26.894 7.877 1.000 14.594 . 123 TRP AAA CA . 1 ATOM 1957 H HA . TRP AAA 1 123 HA . TRP 123 -6.039 26.806 7.204 1.000 14.434 . 123 TRP AAA HA c 1 ATOM 1958 C CB . TRP AAA 1 123 CB . TRP 123 -6.107 26.768 9.262 1.000 14.426 . 123 TRP AAA CB . 1 ATOM 1959 H HB3 . TRP AAA 1 123 HB3 . TRP 123 -5.856 25.833 9.408 1.000 14.497 . 123 TRP AAA HB3 c 1 ATOM 1960 H HB2 . TRP AAA 1 123 HB2 . TRP 123 -6.763 27.019 9.943 1.000 14.492 . 123 TRP AAA HB2 c 1 ATOM 1961 C CG . TRP AAA 1 123 CG . TRP 123 -4.898 27.635 9.387 1.000 14.557 . 123 TRP AAA CG . 1 ATOM 1962 C CD1 . TRP AAA 1 123 CD1 . TRP 123 -4.861 28.928 9.797 1.000 14.999 . 123 TRP AAA CD1 . 1 ATOM 1963 H HD1 . TRP AAA 1 123 HD1 . TRP 123 -5.600 29.420 10.103 1.000 14.933 . 123 TRP AAA HD1 c 1 ATOM 1964 N NE1 . TRP AAA 1 123 NE1 . TRP 123 -3.602 29.410 9.709 1.000 15.047 . 123 TRP AAA NE1 . 1 ATOM 1965 H HE1 . TRP AAA 1 123 HE1 . TRP 123 -3.359 30.213 9.939 1.000 14.855 . 123 TRP AAA HE1 c 1 ATOM 1966 C CE2 . TRP AAA 1 123 CE2 . TRP 123 -2.771 28.442 9.213 1.000 13.994 . 123 TRP AAA CE2 . 1 ATOM 1967 C CD2 . TRP AAA 1 123 CD2 . TRP 123 -3.564 27.309 8.980 1.000 15.088 . 123 TRP AAA CD2 . 1 ATOM 1968 C CE3 . TRP AAA 1 123 CE3 . TRP 123 -2.960 26.139 8.490 1.000 13.910 . 123 TRP AAA CE3 . 1 ATOM 1969 H HE3 . TRP AAA 1 123 HE3 . TRP 123 -3.479 25.373 8.304 1.000 14.826 . 123 TRP AAA HE3 c 1 ATOM 1970 C CZ3 . TRP AAA 1 123 CZ3 . TRP 123 -1.600 26.163 8.202 1.000 16.587 . 123 TRP AAA CZ3 . 1 ATOM 1971 H HZ3 . TRP AAA 1 123 HZ3 . TRP 123 -1.186 25.389 7.860 1.000 15.712 . 123 TRP AAA HZ3 c 1 ATOM 1972 C CH2 . TRP AAA 1 123 CH2 . TRP 123 -0.825 27.312 8.452 1.000 16.154 . 123 TRP AAA CH2 . 1 ATOM 1973 H HH2 . TRP AAA 1 123 HH2 . TRP 123 0.096 27.301 8.265 1.000 16.075 . 123 TRP AAA HH2 c 1 ATOM 1974 C CZ2 . TRP AAA 1 123 CZ2 . TRP 123 -1.397 28.462 8.942 1.000 16.157 . 123 TRP AAA CZ2 . 1 ATOM 1975 H HZ2 . TRP AAA 1 123 HZ2 . TRP 123 -0.879 29.229 9.117 1.000 15.554 . 123 TRP AAA HZ2 c 1 ATOM 1976 C C . TRP AAA 1 123 C . TRP 123 -7.796 25.789 7.629 1.000 15.553 . 123 TRP AAA C . 1 ATOM 1977 O O . TRP AAA 1 123 O . TRP 123 -7.407 24.625 7.415 1.000 15.825 . 123 TRP AAA O . 1 ATOM 1979 N N . ILE AAA 1 124 N . ILE 124 -9.092 26.089 7.727 1.000 15.710 . 124 ILE AAA N . 1 ATOM 1980 H H . ILE AAA 1 124 H . ILE 124 -9.412 26.910 7.954 1.000 15.773 . 124 ILE AAA H c 1 ATOM 1981 C CA . ILE AAA 1 124 CA . ILE 124 -10.129 25.051 7.477 1.000 16.138 . 124 ILE AAA CA . 1 ATOM 1982 H HA . ILE AAA 1 124 HA . ILE 124 -9.683 24.196 7.345 1.000 16.210 . 124 ILE AAA HA c 1 ATOM 1983 C CB . ILE AAA 1 124 CB . ILE 124 -11.065 24.909 8.672 1.000 16.289 . 124 ILE AAA CB . 1 ATOM 1984 H HB . ILE AAA 1 124 HB . ILE 124 -11.744 24.231 8.434 1.000 16.489 . 124 ILE AAA HB c 1 ATOM 1985 C CG1 . ILE AAA 1 124 CG1 . ILE 124 -11.808 26.207 8.956 1.000 16.431 . 124 ILE AAA CG1 . 1 ATOM 1986 H HG12 . ILE AAA 1 124 HG12 . ILE 124 -12.192 26.545 8.120 1.000 16.474 . 124 ILE AAA HG12 c 1 ATOM 1987 H HG13 . ILE AAA 1 124 HG13 . ILE 124 -11.168 26.872 9.285 1.000 16.465 . 124 ILE AAA HG13 c 1 ATOM 1988 C CG2 . ILE AAA 1 124 CG2 . ILE 124 -10.303 24.381 9.892 1.000 17.387 . 124 ILE AAA CG2 . 1 ATOM 1989 H HG21 . ILE AAA 1 124 HG21 . ILE 124 -9.821 23.570 9.649 1.000 17.040 . 124 ILE AAA HG21 c 1 ATOM 1990 H HG22 . ILE AAA 1 124 HG22 . ILE 124 -10.930 24.179 10.608 1.000 17.039 . 124 ILE AAA HG22 c 1 ATOM 1991 C CD1 . ILE AAA 1 124 CD1 . ILE 124 -12.898 26.064 9.957 1.000 16.763 . 124 ILE AAA CD1 . 1 ATOM 1992 H HD11 . ILE AAA 1 124 HD11 . ILE 124 -13.490 25.338 9.692 1.000 16.661 . 124 ILE AAA HD11 c 1 ATOM 1993 H HD12 . ILE AAA 1 124 HD12 . ILE 124 -13.405 26.894 10.006 1.000 16.661 . 124 ILE AAA HD12 c 1 ATOM 1994 H HD13 . ILE AAA 1 124 HD13 . ILE 124 -12.516 25.868 10.830 1.000 16.663 . 124 ILE AAA HD13 c 1 ATOM 1995 H HG23 . ILE AAA 1 124 HG23 . ILE 124 -9.669 25.054 10.197 1.000 17.038 . 124 ILE AAA HG23 c 1 ATOM 1996 C C . ILE AAA 1 124 C . ILE 124 -10.897 25.384 6.202 1.000 16.822 . 124 ILE AAA C . 1 ATOM 1997 O O . ILE AAA 1 124 O . ILE 124 -11.839 24.666 5.884 1.000 15.689 . 124 ILE AAA O . 1 ATOM 1999 N N . ARG AAA 1 125 N . ARG 125 -10.517 26.446 5.523 1.000 17.647 . 125 ARG AAA N . 1 ATOM 2000 H H . ARG AAA 1 125 H . ARG 125 -9.801 26.951 5.761 1.000 17.576 . 125 ARG AAA H c 1 ATOM 2001 C CA . ARG AAA 1 125 CA . ARG 125 -11.187 26.919 4.295 1.000 18.269 . 125 ARG AAA CA . 1 ATOM 2002 H HA . ARG AAA 1 125 HA . ARG 125 -12.128 27.109 4.516 1.000 17.975 . 125 ARG AAA HA c 1 ATOM 2003 C CB . ARG AAA 1 125 CB . ARG 125 -10.537 28.206 3.803 1.000 19.114 . 125 ARG AAA CB . 1 ATOM 2004 H HB3 . ARG AAA 1 125 HB3 . ARG 125 -9.668 27.983 3.408 1.000 18.808 . 125 ARG AAA HB3 c 1 ATOM 2005 H HB2 . ARG AAA 1 125 HB2 . ARG 125 -10.374 28.785 4.575 1.000 18.812 . 125 ARG AAA HB2 c 1 ATOM 2006 C CG . ARG AAA 1 125 CG . ARG 125 -11.358 28.975 2.773 1.000 18.691 . 125 ARG AAA CG . 1 ATOM 2007 H HG3 . ARG AAA 1 125 HG3 . ARG 125 -12.289 29.044 3.075 1.000 19.290 . 125 ARG AAA HG3 c 1 ATOM 2008 H HG2 . ARG AAA 1 125 HG2 . ARG 125 -11.343 28.500 1.915 1.000 19.285 . 125 ARG AAA HG2 c 1 ATOM 2009 C CD . ARG AAA 1 125 CD . ARG 125 -10.780 30.368 2.591 1.000 20.869 . 125 ARG AAA CD . 1 ATOM 2010 H HD3 . ARG AAA 1 125 HD3 . ARG 125 -11.278 30.849 1.896 1.000 20.736 . 125 ARG AAA HD3 c 1 ATOM 2011 H HD2 . ARG AAA 1 125 HD2 . ARG 125 -9.841 30.303 2.318 1.000 20.741 . 125 ARG AAA HD2 c 1 ATOM 2012 N NE . ARG AAA 1 125 NE . ARG 125 -10.886 31.078 3.861 1.000 22.674 . 125 ARG AAA NE . 1 ATOM 2013 H HE . ARG AAA 1 125 HE . ARG 125 -11.525 30.835 4.402 1.000 22.271 . 125 ARG AAA HE c 1 ATOM 2014 C CZ . ARG AAA 1 125 CZ . ARG 125 -10.154 32.130 4.222 1.000 22.917 . 125 ARG AAA CZ . 1 ATOM 2015 N NH1 . ARG AAA 1 125 NH1 . ARG 125 -9.143 32.554 3.484 1.000 21.808 . 125 ARG AAA NH1 . 1 ATOM 2016 H HH11 . ARG AAA 1 125 HH11 . ARG 125 -8.993 32.201 2.695 1.000 22.162 . 125 ARG AAA HH11 c 1 ATOM 2017 H HH12 . ARG AAA 1 125 HH12 . ARG 125 -8.660 33.236 3.756 1.000 22.166 . 125 ARG AAA HH12 c 1 ATOM 2018 N NH2 . ARG AAA 1 125 NH2 . ARG 125 -10.337 32.674 5.409 1.000 23.090 . 125 ARG AAA NH2 . 1 ATOM 2019 H HH21 . ARG AAA 1 125 HH21 . ARG 125 -10.986 32.384 5.928 1.000 22.949 . 125 ARG AAA HH21 c 1 ATOM 2020 H HH22 . ARG AAA 1 125 HH22 . ARG 125 -9.835 33.350 5.665 1.000 22.934 . 125 ARG AAA HH22 c 1 ATOM 2021 C C . ARG AAA 1 125 C . ARG 125 -11.148 25.795 3.261 1.000 16.617 . 125 ARG AAA C . 1 ATOM 2022 O O . ARG AAA 1 125 O . ARG 125 -10.102 25.171 3.049 1.000 17.342 . 125 ARG AAA O . 1 ATOM 2024 N N . GLY AAA 1 126 N . GLY 126 -12.264 25.581 2.595 1.000 17.438 . 126 GLY AAA N . 1 ATOM 2025 H H . GLY AAA 1 126 H . GLY 126 -13.034 26.037 2.763 1.000 17.267 . 126 GLY AAA H c 1 ATOM 2026 C CA . GLY AAA 1 126 CA . GLY 126 -12.358 24.585 1.519 1.000 17.531 . 126 GLY AAA CA . 1 ATOM 2027 H HA3 . GLY AAA 1 126 HA3 . GLY 126 -11.497 24.557 1.033 1.000 17.659 . 126 GLY AAA HA3 c 1 ATOM 2028 H HA2 . GLY AAA 1 126 HA2 . GLY 126 -13.052 24.879 0.880 1.000 17.662 . 126 GLY AAA HA2 c 1 ATOM 2029 C C . GLY AAA 1 126 C . GLY 126 -12.695 23.205 2.000 1.000 18.191 . 126 GLY AAA C . 1 ATOM 2030 O O . GLY AAA 1 126 O . GLY 126 -13.067 22.367 1.165 1.000 19.679 . 126 GLY AAA O . 1 ATOM 2032 N N . CYS AAA 1 127 N . CYS 127 -12.574 22.939 3.301 1.000 19.524 . 127 CYS AAA N . 1 ATOM 2033 H H . CYS AAA 1 127 H . CYS 127 -12.352 23.559 3.927 1.000 19.215 . 127 CYS AAA H c 1 ATOM 2034 C CA . CYS AAA 1 127 CA . CYS 127 -12.806 21.600 3.887 1.000 19.629 . 127 CYS AAA CA . 1 ATOM 2035 H HA . CYS AAA 1 127 HA . CYS 127 -12.411 20.928 3.286 1.000 19.652 . 127 CYS AAA HA c 1 ATOM 2036 C CB . CYS AAA 1 127 CB . CYS 127 -12.133 21.493 5.251 1.000 19.587 . 127 CYS AAA CB . 1 ATOM 2037 H HB3 . CYS AAA 1 127 HB3 . CYS 127 -12.295 20.596 5.609 1.000 19.267 . 127 CYS AAA HB3 c 1 ATOM 2038 H HB2 . CYS AAA 1 127 HB2 . CYS 127 -12.554 22.133 5.859 1.000 19.253 . 127 CYS AAA HB2 c 1 ATOM 2039 S SG . CYS AAA 1 127 SG . CYS 127 -10.334 21.789 5.270 1.000 18.190 . 127 CYS AAA SG . 1 ATOM 2040 C C . CYS AAA 1 127 C . CYS 127 -14.318 21.330 4.005 1.000 19.932 . 127 CYS AAA C . 1 ATOM 2041 O O . CYS AAA 1 127 O . CYS 127 -15.077 22.259 4.317 1.000 20.424 . 127 CYS AAA O . 1 ATOM 2043 N N . ARG AAA 1 128 N . ARG 128 -14.720 20.087 3.833 1.000 20.212 . 128 ARG AAA N . 1 ATOM 2044 H H . ARG AAA 1 128 H . ARG 128 -14.149 19.420 3.591 1.000 20.301 . 128 ARG AAA H c 1 ATOM 2045 C CA . ARG AAA 1 128 CA . ARG 128 -16.116 19.630 4.010 1.000 20.898 . 128 ARG AAA CA . 1 ATOM 2046 H HA . ARG AAA 1 128 HA . ARG 128 -16.726 20.395 3.899 1.000 20.618 . 128 ARG AAA HA c 1 ATOM 2047 C CB . ARG AAA 1 128 CB . ARG 128 -16.521 18.505 3.046 1.000 20.321 . 128 ARG AAA CB . 1 ATOM 2048 H HB3 . ARG AAA 1 128 HB3 . ARG 128 -17.331 18.078 3.396 1.000 20.120 . 128 ARG AAA HB3 c 1 ATOM 2049 H HB2 . ARG AAA 1 128 HB2 . ARG 128 -15.809 17.832 3.046 1.000 20.117 . 128 ARG AAA HB2 c 1 ATOM 2050 C CG . ARG AAA 1 128 CG . ARG 128 -16.783 18.923 1.619 1.000 18.916 . 128 ARG AAA CG . 1 ATOM 2051 H HG3 . ARG AAA 1 128 HG3 . ARG 128 -16.017 19.432 1.277 1.000 19.393 . 128 ARG AAA HG3 c 1 ATOM 2052 H HG2 . ARG AAA 1 128 HG2 . ARG 128 -17.580 19.493 1.578 1.000 19.392 . 128 ARG AAA HG2 c 1 ATOM 2053 C CD . ARG AAA 1 128 CD . ARG 128 -16.995 17.688 0.762 1.000 19.576 . 128 ARG AAA CD . 1 ATOM 2054 H HD3 . ARG AAA 1 128 HD3 . ARG 128 -16.412 16.966 1.079 1.000 19.436 . 128 ARG AAA HD3 c 1 ATOM 2055 H HD2 . ARG AAA 1 128 HD2 . ARG 128 -16.748 17.887 -0.164 1.000 19.431 . 128 ARG AAA HD2 c 1 ATOM 2056 N NE . ARG AAA 1 128 NE . ARG 128 -18.404 17.238 0.815 1.000 19.638 . 128 ARG AAA NE . 1 ATOM 2057 H HE . ARG AAA 1 128 HE . ARG 128 -18.585 16.544 1.312 1.000 19.210 . 128 ARG AAA HE c 1 ATOM 2058 C CZ . ARG AAA 1 128 CZ . ARG 128 -19.423 17.800 0.157 1.000 18.084 . 128 ARG AAA CZ . 1 ATOM 2059 N NH1 . ARG AAA 1 128 NH1 . ARG 128 -19.188 18.840 -0.634 1.000 18.903 . 128 ARG AAA NH1 . 1 ATOM 2060 H HH11 . ARG AAA 1 128 HH11 . ARG 128 -18.380 19.173 -0.704 1.000 18.678 . 128 ARG AAA HH11 c 1 ATOM 2061 H HH12 . ARG AAA 1 128 HH12 . ARG 128 -19.854 19.211 -1.073 1.000 18.676 . 128 ARG AAA HH12 c 1 ATOM 2062 N NH2 . ARG AAA 1 128 NH2 . ARG 128 -20.657 17.279 0.249 1.000 18.635 . 128 ARG AAA NH2 . 1 ATOM 2063 H HH21 . ARG AAA 1 128 HH21 . ARG 128 -20.802 16.587 0.764 1.000 18.513 . 128 ARG AAA HH21 c 1 ATOM 2064 H HH22 . ARG AAA 1 128 HH22 . ARG 128 -21.324 17.652 -0.189 1.000 18.513 . 128 ARG AAA HH22 c 1 ATOM 2065 C C . ARG AAA 1 128 C . ARG 128 -16.172 19.143 5.447 1.000 20.696 . 128 ARG AAA C . 1 ATOM 2066 O O . ARG AAA 1 128 O . ARG 128 -15.887 17.961 5.682 1.000 23.210 . 128 ARG AAA O . 1 ATOM 2068 N N . LEU AAA 1 129 N . LEU 129 -16.456 20.030 6.372 1.000 21.809 . 129 LEU AAA N . 1 ATOM 2069 H H . LEU AAA 1 129 H . LEU 129 -16.653 20.902 6.193 1.000 21.831 . 129 LEU AAA H c 1 ATOM 2070 C CA . LEU AAA 1 129 CA . LEU 129 -16.477 19.672 7.798 1.000 23.105 . 129 LEU AAA CA . 1 ATOM 2071 H HA . LEU AAA 1 129 HA . LEU 129 -16.164 18.744 7.898 1.000 23.128 . 129 LEU AAA HA c 1 ATOM 2072 C CB . LEU AAA 1 129 CB . LEU 129 -15.541 20.610 8.551 1.000 24.365 . 129 LEU AAA CB . 1 ATOM 2073 H HB3 . LEU AAA 1 129 HB3 . LEU 129 -15.611 20.417 9.507 1.000 23.913 . 129 LEU AAA HB3 c 1 ATOM 2074 H HB2 . LEU AAA 1 129 HB2 . LEU 129 -15.846 21.529 8.411 1.000 23.913 . 129 LEU AAA HB2 c 1 ATOM 2075 C CG . LEU AAA 1 129 CG . LEU 129 -14.080 20.514 8.140 1.000 23.734 . 129 LEU AAA CG . 1 ATOM 2076 H HG . LEU AAA 1 129 HG . LEU 129 -14.020 20.635 7.162 1.000 24.001 . 129 LEU AAA HG c 1 ATOM 2077 C CD1 . LEU AAA 1 129 CD1 . LEU 129 -13.333 21.616 8.799 1.000 23.829 . 129 LEU AAA CD1 . 1 ATOM 2078 H HD11 . LEU AAA 1 129 HD11 . LEU 129 -13.669 22.473 8.482 1.000 23.774 . 129 LEU AAA HD11 c 1 ATOM 2079 H HD12 . LEU AAA 1 129 HD12 . LEU 129 -12.386 21.541 8.586 1.000 23.775 . 129 LEU AAA HD12 c 1 ATOM 2080 H HD13 . LEU AAA 1 129 HD13 . LEU 129 -13.453 21.557 9.762 1.000 23.691 . 129 LEU AAA HD13 c 1 ATOM 2081 C CD2 . LEU AAA 1 129 CD2 . LEU 129 -13.458 19.166 8.502 1.000 24.554 . 129 LEU AAA CD2 . 1 ATOM 2082 H HD21 . LEU AAA 1 129 HD21 . LEU 129 -13.584 18.995 9.452 1.000 24.251 . 129 LEU AAA HD21 c 1 ATOM 2083 H HD22 . LEU AAA 1 129 HD22 . LEU 129 -12.506 19.183 8.300 1.000 24.285 . 129 LEU AAA HD22 c 1 ATOM 2084 H HD23 . LEU AAA 1 129 HD23 . LEU 129 -13.885 18.460 7.986 1.000 24.282 . 129 LEU AAA HD23 c 1 ATOM 2085 C C . LEU AAA 1 129 C . LEU 129 -17.892 19.771 8.338 1.000 23.338 . 129 LEU AAA C . 1 ATOM 2086 O O . LEU AAA 1 129 O . LEU 129 -18.256 18.767 9.005 1.000 22.799 . 129 LEU AAA O . 1 ATOM 2087 O OXT . LEU AAA 1 129 OXT . LEU 129 -18.593 20.806 8.133 1.000 23.862 . 129 LEU AAA OXT . 1 HETATM 2088 N N1 . DO3 AaA 2 . N1 . DO3 284 2.455 24.948 34.478 0.810 19.031 . 284 DO3 AaA N1 . 1 HETATM 2089 N N2 . DO3 AaA 2 . N2 . DO3 284 3.671 25.185 37.029 0.810 17.548 . 284 DO3 AaA N2 . 1 HETATM 2090 N N3 . DO3 AaA 2 . N3 . DO3 284 2.666 22.553 37.889 0.810 18.276 . 284 DO3 AaA N3 . 1 HETATM 2091 N N4 . DO3 AaA 2 . N4 . DO3 284 1.295 22.357 35.315 0.810 19.390 . 284 DO3 AaA N4 . 1 HETATM 2092 O O1 . DO3 AaA 2 . O1 . DO3 284 0.626 26.577 35.963 0.810 22.443 . 284 DO3 AaA O1 . 1 HETATM 2093 O O3 . DO3 AaA 2 . O3 . DO3 284 1.539 25.858 38.621 0.810 15.176 . 284 DO3 AaA O3 . 1 HETATM 2094 O O5 . DO3 AaA 2 . O5 . DO3 284 -0.039 22.927 38.534 0.810 19.264 . 284 DO3 AaA O5 . 1 HETATM 2095 O O7 . DO3 AaA 2 . O7 . DO3 284 -0.806 24.052 35.666 0.810 17.579 . 284 DO3 AaA O7 . 1 HETATM 2096 C C1 . DO3 AaA 2 . C1 . DO3 284 3.743 25.636 34.581 0.810 18.469 . 284 DO3 AaA C1 . 1 HETATM 2097 C C2 . DO3 AaA 2 . C2 . DO3 284 4.495 25.273 35.791 0.810 18.300 . 284 DO3 AaA C2 . 1 HETATM 2098 C C3 . DO3 AaA 2 . C3 . DO3 284 4.409 24.313 37.935 0.810 18.813 . 284 DO3 AaA C3 . 1 HETATM 2099 C C4 . DO3 AaA 2 . C4 . DO3 284 4.093 22.863 37.866 0.810 18.749 . 284 DO3 AaA C4 . 1 HETATM 2100 C C5 . DO3 AaA 2 . C5 . DO3 284 2.438 21.279 37.191 0.810 19.866 . 284 DO3 AaA C5 . 1 HETATM 2101 C C6 . DO3 AaA 2 . C6 . DO3 284 2.175 21.310 35.735 0.810 20.157 . 284 DO3 AaA C6 . 1 HETATM 2102 C C7 . DO3 AaA 2 . C7 . DO3 284 1.630 22.649 33.938 0.810 19.380 . 284 DO3 AaA C7 . 1 HETATM 2103 C C8 . DO3 AaA 2 . C8 . DO3 284 2.642 23.724 33.720 0.810 19.760 . 284 DO3 AaA C8 . 1 HETATM 2104 C C9 . DO3 AaA 2 . C9 . DO3 284 0.871 26.889 34.783 0.810 19.738 . 284 DO3 AaA C9 . 1 HETATM 2105 C C10 . DO3 AaA 2 . C10 . DO3 284 1.420 25.807 33.889 0.810 21.301 . 284 DO3 AaA C10 . 1 HETATM 2106 C C11 . DO3 AaA 2 . C11 . DO3 284 2.476 26.675 38.672 0.810 15.935 . 284 DO3 AaA C11 . 1 HETATM 2107 C C12 . DO3 AaA 2 . C12 . DO3 284 3.533 26.551 37.607 0.810 18.365 . 284 DO3 AaA C12 . 1 HETATM 2108 C C13 . DO3 AaA 2 . C13 . DO3 284 0.659 22.494 39.433 0.810 19.402 . 284 DO3 AaA C13 . 1 HETATM 2109 C C14 . DO3 AaA 2 . C14 . DO3 284 2.152 22.471 39.236 0.810 18.594 . 284 DO3 AaA C14 . 1 HETATM 2110 C C15 . DO3 AaA 2 . C15 . DO3 284 -1.164 22.817 35.143 0.810 19.085 . 284 DO3 AaA C15 . 1 HETATM 2111 C C16 . DO3 AaA 2 . C16 . DO3 284 -0.073 21.845 35.447 0.810 20.353 . 284 DO3 AaA C16 . 1 HETATM 2112 C C17 . DO3 AaA 2 . C17 . DO3 284 -2.477 22.422 35.744 0.810 21.157 . 284 DO3 AaA C17 . 1 HETATM 2113 O O2 . DO3 AaA 2 . O2 . DO3 284 0.670 27.997 34.277 0.810 22.692 . 284 DO3 AaA O2 . 1 HETATM 2114 O O4 . DO3 AaA 2 . O4 . DO3 284 2.634 27.533 39.535 0.810 15.089 . 284 DO3 AaA O4 . 1 HETATM 2115 O O6 . DO3 AaA 2 . O6 . DO3 284 0.255 22.055 40.510 0.810 20.515 . 284 DO3 AaA O6 . 1 HETATM 2116 H HO7 . DO3 AaA 2 . HO7 . DO3 284 -0.075 24.307 35.306 0.000 17.660 . 284 DO3 AaA HO7 c 1 HETATM 2117 H HC11 . DO3 AaA 2 . HC11 . DO3 284 4.287 25.425 33.794 0.810 18.566 . 284 DO3 AaA HC11 c 1 HETATM 2118 H HC12 . DO3 AaA 2 . HC12 . DO3 284 3.591 26.604 34.586 0.810 18.570 . 284 DO3 AaA HC12 c 1 HETATM 2119 H HC21 . DO3 AaA 2 . HC21 . DO3 284 4.928 24.409 35.634 0.810 18.167 . 284 DO3 AaA HC21 c 1 HETATM 2120 H HC22 . DO3 AaA 2 . HC22 . DO3 284 5.202 25.936 35.929 0.810 18.161 . 284 DO3 AaA HC22 c 1 HETATM 2121 H HC31 . DO3 AaA 2 . HC31 . DO3 284 4.245 24.612 38.854 0.810 18.485 . 284 DO3 AaA HC31 c 1 HETATM 2122 H HC32 . DO3 AaA 2 . HC32 . DO3 284 5.368 24.425 37.766 0.810 18.489 . 284 DO3 AaA HC32 c 1 HETATM 2123 H HC41 . DO3 AaA 2 . HC41 . DO3 284 4.478 22.506 37.040 0.810 18.661 . 284 DO3 AaA HC41 c 1 HETATM 2124 H HC42 . DO3 AaA 2 . HC42 . DO3 284 4.530 22.409 38.617 0.810 18.653 . 284 DO3 AaA HC42 c 1 HETATM 2125 H HC51 . DO3 AaA 2 . HC51 . DO3 284 1.678 20.830 37.617 0.810 19.541 . 284 DO3 AaA HC51 c 1 HETATM 2126 H HC52 . DO3 AaA 2 . HC52 . DO3 284 3.219 20.706 37.340 0.810 19.541 . 284 DO3 AaA HC52 c 1 HETATM 2127 H HC61 . DO3 AaA 2 . HC61 . DO3 284 3.032 21.415 35.275 0.810 19.891 . 284 DO3 AaA HC61 c 1 HETATM 2128 H HC62 . DO3 AaA 2 . HC62 . DO3 284 1.801 20.448 35.465 0.810 19.874 . 284 DO3 AaA HC62 c 1 HETATM 2129 H HC71 . DO3 AaA 2 . HC71 . DO3 284 0.813 22.906 33.465 0.810 19.475 . 284 DO3 AaA HC71 c 1 HETATM 2130 H HC72 . DO3 AaA 2 . HC72 . DO3 284 1.959 21.828 33.514 0.810 19.475 . 284 DO3 AaA HC72 c 1 HETATM 2131 H HC81 . DO3 AaA 2 . HC81 . DO3 284 3.524 23.355 33.937 0.810 19.490 . 284 DO3 AaA HC81 c 1 HETATM 2132 H HC82 . DO3 AaA 2 . HC82 . DO3 284 2.649 23.948 32.766 0.810 19.499 . 284 DO3 AaA HC82 c 1 HETATM 2133 H H101 . DO3 AaA 2 . H101 . DO3 284 0.680 25.246 33.605 0.810 20.369 . 284 DO3 AaA H101 c 1 HETATM 2134 H H102 . DO3 AaA 2 . H102 . DO3 284 1.785 26.225 33.092 0.810 20.370 . 284 DO3 AaA H102 c 1 HETATM 2135 H H121 . DO3 AaA 2 . H121 . DO3 284 3.324 27.173 36.891 0.810 17.577 . 284 DO3 AaA H121 c 1 HETATM 2136 H H122 . DO3 AaA 2 . H122 . DO3 284 4.387 26.818 37.985 0.810 17.573 . 284 DO3 AaA H122 c 1 HETATM 2137 H H141 . DO3 AaA 2 . H141 . DO3 284 2.526 23.210 39.744 0.810 18.706 . 284 DO3 AaA H141 c 1 HETATM 2138 H H142 . DO3 AaA 2 . H142 . DO3 284 2.492 21.655 39.638 0.810 18.713 . 284 DO3 AaA H142 c 1 HETATM 2139 H HA . DO3 AaA 2 . HA . DO3 284 -1.268 22.896 34.155 0.810 19.379 . 284 DO3 AaA HA c 1 HETATM 2140 H H161 . DO3 AaA 2 . H161 . DO3 284 -0.198 21.520 36.368 0.810 19.822 . 284 DO3 AaA H161 c 1 HETATM 2141 H H162 . DO3 AaA 2 . H162 . DO3 284 -0.178 21.073 34.845 0.810 19.813 . 284 DO3 AaA H162 c 1 HETATM 2142 H H171 . DO3 AaA 2 . H171 . DO3 284 -2.414 21.520 36.106 0.810 20.500 . 284 DO3 AaA H171 c 1 HETATM 2143 H H172 . DO3 AaA 2 . H172 . DO3 284 -3.169 22.449 35.059 0.810 20.491 . 284 DO3 AaA H172 c 1 HETATM 2144 H H173 . DO3 AaA 2 . H173 . DO3 284 -2.708 23.042 36.460 0.810 20.488 . 284 DO3 AaA H173 c 1 HETATM 2145 N N1 . DO3 AbA 2 . N1 . DO3 285 -1.376 30.320 40.258 0.730 18.159 . 285 DO3 AbA N1 . 1 HETATM 2146 N N2 . DO3 AbA 2 . N2 . DO3 285 -3.720 28.814 40.468 0.730 18.092 . 285 DO3 AbA N2 . 1 HETATM 2147 N N3 . DO3 AbA 2 . N3 . DO3 285 -3.060 28.290 43.270 0.730 20.105 . 285 DO3 AbA N3 . 1 HETATM 2148 N N4 . DO3 AbA 2 . N4 . DO3 285 -0.506 29.693 42.976 0.730 18.487 . 285 DO3 AbA N4 . 1 HETATM 2149 O O1 . DO3 AbA 2 . O1 . DO3 285 -0.976 27.954 38.914 0.730 14.966 . 285 DO3 AbA O1 . 1 HETATM 2150 O O3 . DO3 AbA 2 . O3 . DO3 285 -2.798 26.327 40.482 0.730 17.441 . 285 DO3 AbA O3 . 1 HETATM 2151 O O5 . DO3 AbA 2 . O5 . DO3 285 -1.047 26.383 43.147 0.730 18.441 . 285 DO3 AbA O5 . 1 HETATM 2152 O O7 . DO3 AbA 2 . O7 . DO3 285 0.992 27.946 41.513 0.730 16.756 . 285 DO3 AbA O7 . 1 HETATM 2153 C C1 . DO3 AbA 2 . C1 . DO3 285 -2.544 30.774 39.519 0.730 18.793 . 285 DO3 AbA C1 . 1 HETATM 2154 C C2 . DO3 AbA 2 . C2 . DO3 285 -3.784 30.228 40.052 0.730 20.254 . 285 DO3 AbA C2 . 1 HETATM 2155 C C3 . DO3 AbA 2 . C3 . DO3 285 -4.736 28.710 41.519 0.730 19.152 . 285 DO3 AbA C3 . 1 HETATM 2156 C C4 . DO3 AbA 2 . C4 . DO3 285 -4.302 28.947 42.931 0.730 20.818 . 285 DO3 AbA C4 . 1 HETATM 2157 C C5 . DO3 AbA 2 . C5 . DO3 285 -2.448 28.993 44.399 0.730 21.560 . 285 DO3 AbA C5 . 1 HETATM 2158 C C6 . DO3 AbA 2 . C6 . DO3 285 -1.410 30.008 44.065 0.730 19.730 . 285 DO3 AbA C6 . 1 HETATM 2159 C C7 . DO3 AbA 2 . C7 . DO3 285 -0.146 30.969 42.361 0.730 18.840 . 285 DO3 AbA C7 . 1 HETATM 2160 C C8 . DO3 AbA 2 . C8 . DO3 285 -1.025 31.384 41.196 0.730 19.462 . 285 DO3 AbA C8 . 1 HETATM 2161 C C9 . DO3 AbA 2 . C9 . DO3 285 -0.351 28.890 38.448 0.730 16.029 . 285 DO3 AbA C9 . 1 HETATM 2162 C C10 . DO3 AbA 2 . C10 . DO3 285 -0.277 30.114 39.337 0.730 17.511 . 285 DO3 AbA C10 . 1 HETATM 2163 C C11 . DO3 AbA 2 . C11 . DO3 285 -3.752 26.488 39.771 0.730 18.619 . 285 DO3 AbA C11 . 1 HETATM 2164 C C12 . DO3 AbA 2 . C12 . DO3 285 -4.039 27.918 39.395 0.730 20.309 . 285 DO3 AbA C12 . 1 HETATM 2165 C C13 . DO3 AbA 2 . C13 . DO3 285 -2.067 25.965 43.639 0.730 19.170 . 285 DO3 AbA C13 . 1 HETATM 2166 C C14 . DO3 AbA 2 . C14 . DO3 285 -3.300 26.873 43.640 0.730 20.916 . 285 DO3 AbA C14 . 1 HETATM 2167 C C15 . DO3 AbA 2 . C15 . DO3 285 1.682 28.514 42.607 0.730 19.315 . 285 DO3 AbA C15 . 1 HETATM 2168 C C16 . DO3 AbA 2 . C16 . DO3 285 0.681 29.071 43.581 0.730 18.908 . 285 DO3 AbA C16 . 1 HETATM 2169 C C17 . DO3 AbA 2 . C17 . DO3 285 2.604 27.531 43.288 0.730 18.445 . 285 DO3 AbA C17 . 1 HETATM 2170 O O2 . DO3 AbA 2 . O2 . DO3 285 0.200 28.963 37.328 0.730 15.603 . 285 DO3 AbA O2 . 1 HETATM 2171 O O4 . DO3 AbA 2 . O4 . DO3 285 -4.482 25.576 39.320 0.730 19.488 . 285 DO3 AbA O4 . 1 HETATM 2172 O O6 . DO3 AbA 2 . O6 . DO3 285 -2.212 24.844 44.137 0.730 18.368 . 285 DO3 AbA O6 . 1 HETATM 2173 H HO7 . DO3 AbA 2 . HO7 . DO3 285 0.515 28.538 41.139 0.000 17.800 . 285 DO3 AbA HO7 c 1 HETATM 2174 H HC11 . DO3 AbA 2 . HC11 . DO3 285 -2.589 31.753 39.546 0.730 18.972 . 285 DO3 AbA HC11 c 1 HETATM 2175 H HC12 . DO3 AbA 2 . HC12 . DO3 285 -2.461 30.506 38.580 0.730 18.960 . 285 DO3 AbA HC12 c 1 HETATM 2176 H HC21 . DO3 AbA 2 . HC21 . DO3 285 -4.049 30.774 40.821 0.730 19.381 . 285 DO3 AbA HC21 c 1 HETATM 2177 H HC22 . DO3 AbA 2 . HC22 . DO3 285 -4.482 30.324 39.371 0.730 19.381 . 285 DO3 AbA HC22 c 1 HETATM 2178 H HC31 . DO3 AbA 2 . HC31 . DO3 285 -5.130 27.814 41.478 0.730 19.276 . 285 DO3 AbA HC31 c 1 HETATM 2179 H HC32 . DO3 AbA 2 . HC32 . DO3 285 -5.458 29.342 41.316 0.730 19.275 . 285 DO3 AbA HC32 c 1 HETATM 2180 H HC41 . DO3 AbA 2 . HC41 . DO3 285 -4.202 29.913 43.067 0.730 20.251 . 285 DO3 AbA HC41 c 1 HETATM 2181 H HC42 . DO3 AbA 2 . HC42 . DO3 285 -5.007 28.632 43.535 0.730 20.249 . 285 DO3 AbA HC42 c 1 HETATM 2182 H HC51 . DO3 AbA 2 . HC51 . DO3 285 -2.038 28.329 44.989 0.730 20.766 . 285 DO3 AbA HC51 c 1 HETATM 2183 H HC52 . DO3 AbA 2 . HC52 . DO3 285 -3.155 29.436 44.914 0.730 20.768 . 285 DO3 AbA HC52 c 1 HETATM 2184 H HC61 . DO3 AbA 2 . HC61 . DO3 285 -1.874 30.844 43.849 0.730 19.833 . 285 DO3 AbA HC61 c 1 HETATM 2185 H HC62 . DO3 AbA 2 . HC62 . DO3 285 -0.880 30.177 44.872 0.730 19.832 . 285 DO3 AbA HC62 c 1 HETATM 2186 H HC71 . DO3 AbA 2 . HC71 . DO3 285 0.778 30.917 42.042 0.730 18.898 . 285 DO3 AbA HC71 c 1 HETATM 2187 H HC72 . DO3 AbA 2 . HC72 . DO3 285 -0.178 31.673 43.042 0.730 18.905 . 285 DO3 AbA HC72 c 1 HETATM 2188 H HC81 . DO3 AbA 2 . HC81 . DO3 285 -1.851 31.764 41.562 0.730 19.002 . 285 DO3 AbA HC81 c 1 HETATM 2189 H HC82 . DO3 AbA 2 . HC82 . DO3 285 -0.569 32.099 40.705 0.730 18.994 . 285 DO3 AbA HC82 c 1 HETATM 2190 H H101 . DO3 AbA 2 . H101 . DO3 285 0.545 30.060 39.851 0.730 17.309 . 285 DO3 AbA H101 c 1 HETATM 2191 H H102 . DO3 AbA 2 . H102 . DO3 285 -0.204 30.898 38.766 0.730 17.307 . 285 DO3 AbA H102 c 1 HETATM 2192 H H121 . DO3 AbA 2 . H121 . DO3 285 -3.515 28.152 38.616 0.730 19.371 . 285 DO3 AbA H121 c 1 HETATM 2193 H H122 . DO3 AbA 2 . H122 . DO3 285 -4.979 28.007 39.166 0.730 19.365 . 285 DO3 AbA H122 c 1 HETATM 2194 H H141 . DO3 AbA 2 . H141 . DO3 285 -3.951 26.500 43.024 0.730 20.299 . 285 DO3 AbA H141 c 1 HETATM 2195 H H142 . DO3 AbA 2 . H142 . DO3 285 -3.698 26.849 44.526 0.730 20.305 . 285 DO3 AbA H142 c 1 HETATM 2196 H HA . DO3 AbA 2 . HA . DO3 285 2.237 29.268 42.265 0.730 18.560 . 285 DO3 AbA HA c 1 HETATM 2197 H H161 . DO3 AbA 2 . H161 . DO3 285 0.386 28.341 44.173 0.730 18.905 . 285 DO3 AbA H161 c 1 HETATM 2198 H H162 . DO3 AbA 2 . H162 . DO3 285 1.139 29.740 44.141 0.730 18.907 . 285 DO3 AbA H162 c 1 HETATM 2199 H H171 . DO3 AbA 2 . H171 . DO3 285 2.453 27.550 44.252 0.730 18.708 . 285 DO3 AbA H171 c 1 HETATM 2200 H H172 . DO3 AbA 2 . H172 . DO3 285 3.531 27.772 43.101 0.730 18.708 . 285 DO3 AbA H172 c 1 HETATM 2201 H H173 . DO3 AbA 2 . H173 . DO3 285 2.427 26.633 42.951 0.730 18.704 . 285 DO3 AbA H173 c 1 HETATM 2202 CL CL . CL AcA 3 . CL . CL 286 -8.326 31.171 26.961 1.000 14.440 . 286 CL AcA CL . 1 HETATM 2203 CL CL . CL AdA 3 . CL . CL 287 -11.701 28.726 12.531 1.000 15.045 . 287 CL AdA CL . 1 HETATM 2204 CL CL . CL AeA 3 . CL . CL 288 10.967 10.620 33.260 1.000 23.390 . 288 CL AeA CL . 1 HETATM 2205 CL CL . CL AfA 3 . CL . CL 289 -7.530 9.899 14.314 1.000 29.843 . 289 CL AfA CL . 1 HETATM 2206 GD GD . GD AgA 4 . GD . GD 290 0.950 24.565 36.806 0.810 15.806 . 290 GD AgA GD . 1 HETATM 2207 GD GD . GD AhA 4 . GD . GD 291 -1.378 27.838 41.358 0.730 16.197 . 291 GD AhA GD . 1 HETATM 2208 O O . HOH ZZZ 5 . O . HOH 1 1.594 9.576 6.212 1.000 18.126 . 1 HOH ZZZ O . 1 HETATM 2209 O O . HOH ZZZ 5 . O . HOH 2 -8.468 19.073 0.922 1.000 29.490 . 2 HOH ZZZ O . 1 HETATM 2210 O O . HOH ZZZ 5 . O . HOH 3 0.158 17.486 4.953 1.000 20.544 . 3 HOH ZZZ O . 1 HETATM 2211 O O . HOH ZZZ 5 . O . HOH 4 -2.122 19.871 3.791 1.000 34.894 . 4 HOH ZZZ O . 1 HETATM 2212 O O . HOH ZZZ 5 . O . HOH 5 -6.423 19.331 2.640 1.000 15.742 . 5 HOH ZZZ O . 1 HETATM 2213 O O . HOH ZZZ 5 . O . HOH 6 -6.654 16.491 3.699 1.000 13.362 . 6 HOH ZZZ O . 1 HETATM 2214 O O . HOH ZZZ 5 . O . HOH 7 -9.528 12.180 9.632 1.000 19.667 . 7 HOH ZZZ O . 1 HETATM 2215 O O . HOH ZZZ 5 . O . HOH 8 -7.958 9.900 8.628 1.000 28.410 . 8 HOH ZZZ O . 1 HETATM 2216 O O . HOH ZZZ 5 . O . HOH 9 -2.726 11.313 5.349 1.000 25.199 . 9 HOH ZZZ O . 1 HETATM 2217 O O . HOH ZZZ 5 . O . HOH 10 -14.522 22.291 28.780 1.000 25.400 . 10 HOH ZZZ O . 1 HETATM 2218 O O . HOH ZZZ 5 . O . HOH 11 -14.901 27.742 12.857 1.000 23.296 . 11 HOH ZZZ O . 1 HETATM 2219 O O . HOH ZZZ 5 . O . HOH 12 -16.021 22.777 11.480 1.000 27.375 . 12 HOH ZZZ O . 1 HETATM 2220 O O . HOH ZZZ 5 . O . HOH 13 7.783 26.041 18.699 1.000 21.798 . 13 HOH ZZZ O . 1 HETATM 2221 O O . HOH ZZZ 5 . O . HOH 14 -14.985 8.899 17.001 1.000 24.669 . 14 HOH ZZZ O . 1 HETATM 2222 O O . HOH ZZZ 5 . O . HOH 15 -17.782 12.665 16.858 1.000 27.494 . 15 HOH ZZZ O . 1 HETATM 2223 O O . HOH ZZZ 5 . O . HOH 16 -11.968 11.855 11.215 1.000 20.483 . 16 HOH ZZZ O . 1 HETATM 2224 O O . HOH ZZZ 5 . O . HOH 17 -16.348 14.339 20.697 1.000 25.618 . 17 HOH ZZZ O . 1 HETATM 2225 O O . HOH ZZZ 5 . O . HOH 18 -9.927 8.033 16.076 1.000 32.265 . 18 HOH ZZZ O . 1 HETATM 2226 O O . HOH ZZZ 5 . O . HOH 19 -15.937 19.483 22.570 1.000 25.224 . 19 HOH ZZZ O . 1 HETATM 2227 O O . HOH ZZZ 5 . O . HOH 20 -16.291 23.655 14.307 1.000 22.129 . 20 HOH ZZZ O . 1 HETATM 2228 O O . HOH ZZZ 5 . O . HOH 21 -19.034 21.120 16.491 1.000 31.488 . 21 HOH ZZZ O . 1 HETATM 2229 O O . HOH ZZZ 5 . O . HOH 22 -14.612 25.733 15.223 1.000 14.393 . 22 HOH ZZZ O . 1 HETATM 2230 O O . HOH ZZZ 5 . O . HOH 23 -13.172 18.125 28.597 1.000 31.779 . 23 HOH ZZZ O . 1 HETATM 2231 O O . HOH ZZZ 5 . O . HOH 24 -9.561 19.194 30.329 1.000 28.905 . 24 HOH ZZZ O . 1 HETATM 2232 O O . HOH ZZZ 5 . O . HOH 25 -14.652 23.490 26.209 1.000 20.858 . 25 HOH ZZZ O . 1 HETATM 2233 O O . HOH ZZZ 5 . O . HOH 26 -10.646 29.223 28.251 1.000 30.503 . 26 HOH ZZZ O . 1 HETATM 2234 O O . HOH ZZZ 5 . O . HOH 27 -10.721 31.036 24.664 1.000 12.625 . 27 HOH ZZZ O . 1 HETATM 2235 O O . HOH ZZZ 5 . O . HOH 28 -13.608 27.949 28.850 1.000 32.374 . 28 HOH ZZZ O . 1 HETATM 2236 O O . HOH ZZZ 5 . O . HOH 29 -15.579 26.647 26.102 1.000 30.450 . 29 HOH ZZZ O . 1 HETATM 2237 O O . HOH ZZZ 5 . O . HOH 30 -14.551 31.724 21.384 1.000 19.256 . 30 HOH ZZZ O . 1 HETATM 2238 O O . HOH ZZZ 5 . O . HOH 31 -14.872 28.429 20.162 1.000 30.386 . 31 HOH ZZZ O . 1 HETATM 2239 O O . HOH ZZZ 5 . O . HOH 32 -14.409 30.948 18.564 1.000 22.109 . 32 HOH ZZZ O . 1 HETATM 2240 O O . HOH ZZZ 5 . O . HOH 33 11.017 5.248 33.928 1.000 32.445 . 33 HOH ZZZ O . 1 HETATM 2241 O O . HOH ZZZ 5 . O . HOH 34 -11.739 30.905 18.456 1.000 11.859 . 34 HOH ZZZ O . 1 HETATM 2242 O O . HOH ZZZ 5 . O . HOH 35 -11.847 32.487 15.816 1.000 25.027 . 35 HOH ZZZ O . 1 HETATM 2243 O O . HOH ZZZ 5 . O . HOH 36 7.329 22.952 39.782 1.000 28.436 . 36 HOH ZZZ O . 1 HETATM 2244 O O . HOH ZZZ 5 . O . HOH 37 -6.237 33.166 17.301 1.000 13.639 . 37 HOH ZZZ O . 1 HETATM 2245 O O . HOH ZZZ 5 . O . HOH 38 -9.519 32.880 16.673 1.000 13.877 . 38 HOH ZZZ O . 1 HETATM 2246 O O . HOH ZZZ 5 . O . HOH 39 -6.603 8.670 32.881 1.000 32.809 . 39 HOH ZZZ O . 1 HETATM 2247 O O . HOH ZZZ 5 . O . HOH 40 1.727 3.859 17.393 1.000 26.308 . 40 HOH ZZZ O . 1 HETATM 2248 O O . HOH ZZZ 5 . O . HOH 41 -2.996 5.777 23.672 1.000 27.579 . 41 HOH ZZZ O . 1 HETATM 2249 O O . HOH ZZZ 5 . O . HOH 42 0.786 2.952 24.689 1.000 31.133 . 42 HOH ZZZ O . 1 HETATM 2250 O O . HOH ZZZ 5 . O . HOH 43 -5.139 8.966 26.226 1.000 29.663 . 43 HOH ZZZ O . 1 HETATM 2251 O O . HOH ZZZ 5 . O . HOH 44 5.215 23.635 9.444 1.000 21.740 . 44 HOH ZZZ O . 1 HETATM 2252 O O . HOH ZZZ 5 . O . HOH 45 3.557 24.492 3.464 1.000 34.451 . 45 HOH ZZZ O . 1 HETATM 2253 O O . HOH ZZZ 5 . O . HOH 46 5.648 24.144 6.740 1.000 31.670 . 46 HOH ZZZ O . 1 HETATM 2254 O O . HOH ZZZ 5 . O . HOH 47 7.365 25.183 16.030 1.000 15.180 . 47 HOH ZZZ O . 1 HETATM 2255 O O . HOH ZZZ 5 . O . HOH 48 5.568 25.941 20.266 1.000 21.938 . 48 HOH ZZZ O . 1 HETATM 2256 O O . HOH ZZZ 5 . O . HOH 49 8.154 19.779 14.377 1.000 28.332 . 49 HOH ZZZ O . 1 HETATM 2257 O O . HOH ZZZ 5 . O . HOH 50 7.060 23.626 20.316 1.000 21.433 . 50 HOH ZZZ O . 1 HETATM 2258 O O . HOH ZZZ 5 . O . HOH 51 -8.301 19.718 32.992 1.000 35.368 . 51 HOH ZZZ O . 1 HETATM 2259 O O . HOH ZZZ 5 . O . HOH 52 -3.612 20.046 34.243 1.000 25.699 . 52 HOH ZZZ O . 1 HETATM 2260 O O . HOH ZZZ 5 . O . HOH 53 7.404 17.006 11.255 1.000 16.718 . 53 HOH ZZZ O . 1 HETATM 2261 O O . HOH ZZZ 5 . O . HOH 54 2.369 18.736 5.866 1.000 16.966 . 54 HOH ZZZ O . 1 HETATM 2262 O O . HOH ZZZ 5 . O . HOH 55 4.784 10.168 9.983 1.000 12.210 . 55 HOH ZZZ O . 1 HETATM 2263 O O . HOH ZZZ 5 . O . HOH 56 -2.836 35.443 7.759 1.000 33.338 . 56 HOH ZZZ O . 1 HETATM 2264 O O . HOH ZZZ 5 . O . HOH 57 -0.506 38.549 19.888 1.000 20.650 . 57 HOH ZZZ O . 1 HETATM 2265 O O . HOH ZZZ 5 . O . HOH 58 13.692 13.692 19.328 0.500 3.835 . 58 HOH ZZZ O . 1 HETATM 2266 O O . HOH ZZZ 5 . O . HOH 59 10.601 12.437 15.335 1.000 11.858 . 59 HOH ZZZ O . 1 HETATM 2267 O O . HOH ZZZ 5 . O . HOH 60 14.455 17.705 16.492 1.000 28.035 . 60 HOH ZZZ O . 1 HETATM 2268 O O . HOH ZZZ 5 . O . HOH 61 15.542 15.542 19.328 0.500 20.186 . 61 HOH ZZZ O . 1 HETATM 2269 O O . HOH ZZZ 5 . O . HOH 62 15.794 17.922 18.759 1.000 20.274 . 62 HOH ZZZ O . 1 HETATM 2270 O O . HOH ZZZ 5 . O . HOH 63 10.978 22.006 20.777 1.000 32.541 . 63 HOH ZZZ O . 1 HETATM 2271 O O . HOH ZZZ 5 . O . HOH 64 18.734 19.275 25.199 1.000 25.577 . 64 HOH ZZZ O . 1 HETATM 2272 O O . HOH ZZZ 5 . O . HOH 65 13.560 24.092 27.797 1.000 18.225 . 65 HOH ZZZ O . 1 HETATM 2273 O O . HOH ZZZ 5 . O . HOH 66 20.968 21.451 26.457 1.000 30.548 . 66 HOH ZZZ O . 1 HETATM 2274 O O . HOH ZZZ 5 . O . HOH 67 14.312 24.430 23.981 1.000 28.546 . 67 HOH ZZZ O . 1 HETATM 2275 O O . HOH ZZZ 5 . O . HOH 68 12.338 23.681 32.725 1.000 25.083 . 68 HOH ZZZ O . 1 HETATM 2276 O O . HOH ZZZ 5 . O . HOH 69 18.096 19.186 32.932 1.000 23.022 . 69 HOH ZZZ O . 1 HETATM 2277 O O . HOH ZZZ 5 . O . HOH 70 15.266 16.633 31.776 1.000 25.963 . 70 HOH ZZZ O . 1 HETATM 2278 O O . HOH ZZZ 5 . O . HOH 71 10.241 22.149 29.551 1.000 24.872 . 71 HOH ZZZ O . 1 HETATM 2279 O O . HOH ZZZ 5 . O . HOH 72 8.613 23.048 24.098 1.000 26.278 . 72 HOH ZZZ O . 1 HETATM 2280 O O . HOH ZZZ 5 . O . HOH 73 0.802 15.962 20.259 1.000 11.126 . 73 HOH ZZZ O . 1 HETATM 2281 O O . HOH ZZZ 5 . O . HOH 74 8.742 21.608 19.269 1.000 13.991 . 74 HOH ZZZ O . 1 HETATM 2282 O O . HOH ZZZ 5 . O . HOH 75 5.063 22.517 22.258 1.000 20.882 . 75 HOH ZZZ O . 1 HETATM 2283 O O . HOH ZZZ 5 . O . HOH 76 3.091 20.864 26.012 1.000 15.738 . 76 HOH ZZZ O . 1 HETATM 2284 O O . HOH ZZZ 5 . O . HOH 77 7.219 13.274 32.129 1.000 10.146 . 77 HOH ZZZ O . 1 HETATM 2285 O O . HOH ZZZ 5 . O . HOH 78 2.975 23.165 29.094 1.000 20.543 . 78 HOH ZZZ O . 1 HETATM 2286 O O . HOH ZZZ 5 . O . HOH 79 9.469 7.661 34.598 1.000 36.613 . 79 HOH ZZZ O . 1 HETATM 2287 O O . HOH ZZZ 5 . O . HOH 80 6.866 11.343 33.590 1.000 18.032 . 80 HOH ZZZ O . 1 HETATM 2288 O O . HOH ZZZ 5 . O . HOH 81 4.699 5.197 30.397 1.000 15.536 . 81 HOH ZZZ O . 1 HETATM 2289 O O . HOH ZZZ 5 . O . HOH 82 9.648 4.850 31.450 1.000 11.662 . 82 HOH ZZZ O . 1 HETATM 2290 O O . HOH ZZZ 5 . O . HOH 83 8.936 11.954 31.070 1.000 14.764 . 83 HOH ZZZ O . 1 HETATM 2291 O O . HOH ZZZ 5 . O . HOH 84 12.982 13.914 27.053 1.000 14.667 . 84 HOH ZZZ O . 1 HETATM 2292 O O . HOH ZZZ 5 . O . HOH 85 13.715 6.427 33.860 1.000 28.230 . 85 HOH ZZZ O . 1 HETATM 2293 O O . HOH ZZZ 5 . O . HOH 86 16.465 7.297 29.855 1.000 25.812 . 86 HOH ZZZ O . 1 HETATM 2294 O O . HOH ZZZ 5 . O . HOH 87 17.956 9.410 25.344 1.000 18.199 . 87 HOH ZZZ O . 1 HETATM 2295 O O . HOH ZZZ 5 . O . HOH 88 6.328 11.389 36.100 1.000 27.992 . 88 HOH ZZZ O . 1 HETATM 2296 O O . HOH ZZZ 5 . O . HOH 89 4.791 17.037 43.455 1.000 34.716 . 89 HOH ZZZ O . 1 HETATM 2297 O O . HOH ZZZ 5 . O . HOH 90 5.811 20.103 40.068 1.000 37.651 . 90 HOH ZZZ O . 1 HETATM 2298 O O . HOH ZZZ 5 . O . HOH 91 4.895 21.669 42.430 1.000 33.463 . 91 HOH ZZZ O . 1 HETATM 2299 O O . HOH ZZZ 5 . O . HOH 92 2.279 20.806 42.681 1.000 35.016 . 92 HOH ZZZ O . 1 HETATM 2300 O O . HOH ZZZ 5 . O . HOH 93 4.587 7.949 35.009 1.000 29.299 . 93 HOH ZZZ O . 1 HETATM 2301 O O . HOH ZZZ 5 . O . HOH 94 2.381 13.250 37.376 1.000 28.999 . 94 HOH ZZZ O . 1 HETATM 2302 O O . HOH ZZZ 5 . O . HOH 95 1.865 6.405 31.484 1.000 17.877 . 95 HOH ZZZ O . 1 HETATM 2303 O O . HOH ZZZ 5 . O . HOH 96 -5.798 10.589 31.305 1.000 37.465 . 96 HOH ZZZ O . 1 HETATM 2304 O O . HOH ZZZ 5 . O . HOH 97 -4.695 12.223 32.858 1.000 34.572 . 97 HOH ZZZ O . 1 HETATM 2305 O O . HOH ZZZ 5 . O . HOH 98 3.598 5.360 18.680 1.000 20.345 . 98 HOH ZZZ O . 1 HETATM 2306 O O . HOH ZZZ 5 . O . HOH 99 2.485 4.041 22.537 1.000 21.726 . 99 HOH ZZZ O . 1 HETATM 2307 O O . HOH ZZZ 5 . O . HOH 100 6.503 3.167 24.337 1.000 20.624 . 100 HOH ZZZ O . 1 HETATM 2308 O O . HOH ZZZ 5 . O . HOH 101 -2.083 6.607 21.199 1.000 21.354 . 101 HOH ZZZ O . 1 HETATM 2309 O O . HOH ZZZ 5 . O . HOH 102 0.131 13.300 17.529 1.000 22.930 . 102 HOH ZZZ O . 1 HETATM 2310 O O . HOH ZZZ 5 . O . HOH 103 -1.288 11.260 17.231 1.000 11.600 . 103 HOH ZZZ O . 1 HETATM 2311 O O . HOH ZZZ 5 . O . HOH 104 -2.360 4.394 19.624 1.000 34.562 . 104 HOH ZZZ O . 1 HETATM 2312 O O . HOH ZZZ 5 . O . HOH 105 -2.898 4.572 15.532 1.000 36.721 . 105 HOH ZZZ O . 1 HETATM 2313 O O . HOH ZZZ 5 . O . HOH 106 1.120 3.031 12.564 1.000 34.279 . 106 HOH ZZZ O . 1 HETATM 2314 O O . HOH ZZZ 5 . O . HOH 107 2.175 4.406 10.404 1.000 32.713 . 107 HOH ZZZ O . 1 HETATM 2315 O O . HOH ZZZ 5 . O . HOH 108 -1.666 5.412 9.541 1.000 27.064 . 108 HOH ZZZ O . 1 HETATM 2316 O O . HOH ZZZ 5 . O . HOH 109 -5.238 5.401 12.800 0.500 15.377 . 109 HOH ZZZ O . 1 HETATM 2317 O O . HOH ZZZ 5 . O . HOH 110 -4.863 3.755 14.246 0.500 29.835 . 110 HOH ZZZ O . 1 HETATM 2318 O O . HOH ZZZ 5 . O . HOH 111 -5.367 8.504 11.710 1.000 25.105 . 111 HOH ZZZ O . 1 HETATM 2319 O O . HOH ZZZ 5 . O . HOH 112 0.221 4.393 14.758 1.000 19.561 . 112 HOH ZZZ O . 1 HETATM 2320 O O . HOH ZZZ 5 . O . HOH 113 2.039 6.510 11.819 1.000 19.171 . 113 HOH ZZZ O . 1 HETATM 2321 O O . HOH ZZZ 5 . O . HOH 114 -2.159 10.332 19.751 1.000 12.724 . 114 HOH ZZZ O . 1 HETATM 2322 O O . HOH ZZZ 5 . O . HOH 115 -4.266 7.815 20.285 1.000 13.770 . 115 HOH ZZZ O . 1 HETATM 2323 O O . HOH ZZZ 5 . O . HOH 116 -11.000 7.695 19.904 1.000 26.123 . 116 HOH ZZZ O . 1 HETATM 2324 O O . HOH ZZZ 5 . O . HOH 117 -3.988 11.454 26.365 1.000 14.703 . 117 HOH ZZZ O . 1 HETATM 2325 O O . HOH ZZZ 5 . O . HOH 118 -8.614 15.460 28.506 1.000 28.649 . 118 HOH ZZZ O . 1 HETATM 2326 O O . HOH ZZZ 5 . O . HOH 119 -14.749 17.428 25.028 1.000 44.167 . 119 HOH ZZZ O . 1 HETATM 2327 O O . HOH ZZZ 5 . O . HOH 120 -15.271 14.972 22.852 1.000 32.078 . 120 HOH ZZZ O . 1 HETATM 2328 O O . HOH ZZZ 5 . O . HOH 121 -4.948 12.103 28.889 1.000 22.352 . 121 HOH ZZZ O . 1 HETATM 2329 O O . HOH ZZZ 5 . O . HOH 122 -5.983 21.142 33.004 1.000 22.403 . 122 HOH ZZZ O . 1 HETATM 2330 O O . HOH ZZZ 5 . O . HOH 123 -6.754 27.700 30.142 1.000 16.732 . 123 HOH ZZZ O . 1 HETATM 2331 O O . HOH ZZZ 5 . O . HOH 124 -12.137 23.043 29.421 1.000 27.011 . 124 HOH ZZZ O . 1 HETATM 2332 O O . HOH ZZZ 5 . O . HOH 125 -7.320 26.289 34.974 1.000 32.865 . 125 HOH ZZZ O . 1 HETATM 2333 O O . HOH ZZZ 5 . O . HOH 126 -2.231 26.627 28.891 1.000 27.973 . 126 HOH ZZZ O . 1 HETATM 2334 O O . HOH ZZZ 5 . O . HOH 127 -3.586 29.072 36.426 1.000 27.316 . 127 HOH ZZZ O . 1 HETATM 2335 O O . HOH ZZZ 5 . O . HOH 128 0.287 25.495 29.883 1.000 30.620 . 128 HOH ZZZ O . 1 HETATM 2336 O O . HOH ZZZ 5 . O . HOH 129 -2.595 30.650 34.861 1.000 39.646 . 129 HOH ZZZ O . 1 HETATM 2337 O O . HOH ZZZ 5 . O . HOH 130 5.500 25.760 23.060 1.000 20.761 . 130 HOH ZZZ O . 1 HETATM 2338 O O . HOH ZZZ 5 . O . HOH 131 1.506 37.037 18.712 1.000 24.785 . 131 HOH ZZZ O . 1 HETATM 2339 O O . HOH ZZZ 5 . O . HOH 132 4.149 31.876 10.058 1.000 11.834 . 132 HOH ZZZ O . 1 HETATM 2340 O O . HOH ZZZ 5 . O . HOH 133 0.681 33.043 10.180 1.000 31.969 . 133 HOH ZZZ O . 1 HETATM 2341 O O . HOH ZZZ 5 . O . HOH 134 0.014 36.265 25.888 1.000 23.744 . 134 HOH ZZZ O . 1 HETATM 2342 O O . HOH ZZZ 5 . O . HOH 135 -0.865 38.454 14.916 1.000 22.103 . 135 HOH ZZZ O . 1 HETATM 2343 O O . HOH ZZZ 5 . O . HOH 136 0.321 37.766 22.467 1.000 22.958 . 136 HOH ZZZ O . 1 HETATM 2344 O O . HOH ZZZ 5 . O . HOH 137 0.708 35.470 15.615 1.000 15.360 . 137 HOH ZZZ O . 1 HETATM 2345 O O . HOH ZZZ 5 . O . HOH 138 -3.846 41.011 13.985 1.000 31.564 . 138 HOH ZZZ O . 1 HETATM 2346 O O . HOH ZZZ 5 . O . HOH 139 -3.348 38.953 18.730 1.000 20.456 . 139 HOH ZZZ O . 1 HETATM 2347 O O . HOH ZZZ 5 . O . HOH 140 -7.011 36.993 17.466 1.000 8.239 . 140 HOH ZZZ O . 1 HETATM 2348 O O . HOH ZZZ 5 . O . HOH 141 -7.328 34.866 15.459 1.000 12.541 . 141 HOH ZZZ O . 1 HETATM 2349 O O . HOH ZZZ 5 . O . HOH 142 -7.971 37.353 5.835 1.000 24.143 . 142 HOH ZZZ O . 1 HETATM 2350 O O . HOH ZZZ 5 . O . HOH 143 -4.269 33.124 7.897 1.000 21.431 . 143 HOH ZZZ O . 1 HETATM 2351 O O . HOH ZZZ 5 . O . HOH 144 -4.329 37.054 8.862 1.000 25.300 . 144 HOH ZZZ O . 1 HETATM 2352 O O . HOH ZZZ 5 . O . HOH 145 -2.870 32.107 10.076 1.000 19.066 . 145 HOH ZZZ O . 1 HETATM 2353 O O . HOH ZZZ 5 . O . HOH 146 -21.951 19.305 -2.333 1.000 24.804 . 146 HOH ZZZ O . 1 HETATM 2354 O O . HOH ZZZ 5 . O . HOH 147 -15.281 15.784 7.334 1.000 22.809 . 147 HOH ZZZ O . 1 HETATM 2355 O O . HOH ZZZ 5 . O . HOH 148 -23.025 19.418 0.518 1.000 30.568 . 148 HOH ZZZ O . 1 HETATM 2356 O O . HOH ZZZ 5 . O . HOH 149 -16.629 16.209 9.194 0.500 13.841 . 149 HOH ZZZ O . 1 HETATM 2357 O O . HOH ZZZ 5 . O . HOH 150 -1.963 24.079 39.554 1.000 26.934 . 150 HOH ZZZ O . 1 HETATM 2358 O O . HOH ZZZ 5 . O . HOH 151 5.037 28.278 40.668 1.000 17.066 . 151 HOH ZZZ O . 1 HETATM 2359 O O . HOH ZZZ 5 . O . HOH 152 -0.957 25.502 37.777 1.000 20.007 . 152 HOH ZZZ O . 1 HETATM 2360 O O . HOH ZZZ 5 . O . HOH 153 -0.110 23.271 43.230 1.000 29.213 . 153 HOH ZZZ O . 1 HETATM 2361 O O . HOH ZZZ 5 . O . HOH 154 -0.238 25.604 40.769 1.000 24.795 . 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