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 13.731 _refine.aniso_B[1][1] 0.028 _refine.aniso_B[2][2] 0.028 _refine.aniso_B[3][3] -0.055 _refine.aniso_B[1][2] -0.000 _refine.aniso_B[1][3] -0.000 _refine.aniso_B[2][3] -0.000 # _refine.solvent_model_details 'MASK BULK SOLVENT' _refine.pdbx_solvent_vdw_probe_radii 1.200 _refine.pdbx_solvent_ion_probe_radii 0.800 _refine.pdbx_solvent_shrinkage_radii 0.800 _refine.ls_d_res_high 1.500 _refine.ls_d_res_low 38.623 _refine.ls_number_reflns_R_work 17486 _refine.ls_number_reflns_R_free 1776 _refine.ls_number_reflns_obs 19262 _refine.ls_R_factor_R_work 0.0733 _refine.ls_R_factor_R_free 0.0811 _refine.ls_R_factor_all 0.074 _refine.ls_wR_factor_R_work 0.060 _refine.ls_wR_factor_R_free 0.067 _refine.ls_percent_reflns_obs 99.881 _refine.ls_percent_reflns_R_free 9.220 _refine.correlation_coeff_Fo_to_Fc 0.989 _refine.correlation_coeff_Fo_to_Fc_free 0.991 _refine.pdbx_overall_ESU_R 0.035 _refine.pdbx_overall_ESU_R_Free 0.033 _refine.overall_SU_ML 0.023 _refine.overall_SU_B 0.715 _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work 0.9777 _refine.pdbx_average_fsc_free 0.9782 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' # # loop_ _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_low _refine_ls_shell.d_res_high _refine_ls_shell.number_reflns_all _refine_ls_shell.percent_reflns_obs _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.R_factor_all _refine_ls_shell.number_reflns_R_free _refine_ls_shell.R_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free _refine_ls_shell.pdbx_refine_id 4 38.623 2.993 2602 99.8463 2351 0.072 0.072 247 0.071 0.081 0.991 0.994 'X-RAY DIFFRACTION' 4 2.993 2.120 4441 99.9099 4029 0.039 0.041 408 0.054 0.033 0.995 0.993 'X-RAY DIFFRACTION' 4 2.120 1.732 5633 99.9467 5100 0.067 0.068 530 0.077 0.048 0.991 0.992 'X-RAY DIFFRACTION' 4 1.732 1.500 6607 99.8335 6005 0.155 0.156 591 0.167 0.121 0.950 0.949 '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 1.946 1.652 'X-RAY DIFFRACTION' r_angle_other_deg 2223 1.596 1.582 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 128 3.292 5.000 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 61 30.063 20.656 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 166 10.940 15.000 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 11 14.210 15.000 'X-RAY DIFFRACTION' r_chiral_restr 136 0.100 0.200 'X-RAY DIFFRACTION' r_gen_planes_refined 1211 0.008 0.020 'X-RAY DIFFRACTION' r_gen_planes_other 246 0.002 0.020 'X-RAY DIFFRACTION' r_nbd_refined 282 0.228 0.200 'X-RAY DIFFRACTION' r_symmetry_nbd_other 991 0.201 0.200 'X-RAY DIFFRACTION' r_nbtor_refined 542 0.179 0.200 'X-RAY DIFFRACTION' r_symmetry_nbtor_other 482 0.105 0.200 'X-RAY DIFFRACTION' r_xyhbond_nbd_refined 94 0.169 0.200 'X-RAY DIFFRACTION' r_metal_ion_refined 6 0.118 0.200 'X-RAY DIFFRACTION' r_symmetry_nbd_refined 12 0.224 0.200 'X-RAY DIFFRACTION' r_nbd_other 51 0.190 0.200 'X-RAY DIFFRACTION' r_symmetry_xyhbond_nbd_refined 9 0.212 0.200 'X-RAY DIFFRACTION' r_mcbond_it 514 0.664 1.326 'X-RAY DIFFRACTION' r_mcbond_other 514 0.664 1.326 'X-RAY DIFFRACTION' r_mcangle_it 642 0.762 1.990 'X-RAY DIFFRACTION' r_mcangle_other 643 0.761 1.993 'X-RAY DIFFRACTION' r_scbond_it 566 1.064 1.456 'X-RAY DIFFRACTION' r_scbond_other 567 1.063 1.457 'X-RAY DIFFRACTION' r_scangle_it 819 1.358 2.153 'X-RAY DIFFRACTION' r_scangle_other 820 1.357 2.154 'X-RAY DIFFRACTION' r_lrange_it 1360 3.389 17.060 'X-RAY DIFFRACTION' r_lrange_other 1333 3.148 16.677 'X-RAY DIFFRACTION' # # # Sum of Gaussians is used for scattering factors # Mott-Bethe formula is used for scattering factors _ccp4_form_factor.scat_method 'Sum of Gaussians' loop_ _atom_type.symbol _atom_type.scat_Z _atom_type.N_electrons _atom_type.scat_Cromer_Mann_a1 _atom_type.scat_Cromer_Mann_b1 _atom_type.scat_Cromer_Mann_a2 _atom_type.scat_Cromer_Mann_b2 _atom_type.scat_Cromer_Mann_a3 _atom_type.scat_Cromer_Mann_b3 _atom_type.scat_Cromer_Mann_a4 _atom_type.scat_Cromer_Mann_b4 _atom_type.scat_Cromer_Mann_c N 7 7 12.222 0.006 3.135 9.893 2.014 28.997 1.167 0.583 -11.538 H 1 1 0.493 10.511 0.323 26.126 0.140 3.142 0.041 57.800 0.003 C 6 6 2.310 20.844 1.020 10.208 1.589 0.569 0.865 51.651 0.216 O 8 8 3.049 13.277 2.287 5.701 1.546 0.324 0.867 32.909 0.251 S 16 16 6.905 1.468 5.203 22.215 1.438 0.254 1.586 56.172 1.056 CL 17 17 11.460 0.010 7.196 1.166 6.255 18.519 1.645 47.778 -9.338 GD 64 64 25.084 2.253 19.089 0.182 13.859 12.933 3.547 101.398 1.425 # _ccp4_reflns_twin.number_of_domains 1 # _ccp4_refine_ls.jelly_body no _ccp4_refine.details "U values: refined individually" # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_atom_name _atom_site.pdbx_PDB_ins_code _atom_site.pdbx_PDB_residue_name _atom_site.pdbx_PDB_residue_no _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.calc_flag _atom_site.pdbx_PDB_model_num ATOM 1 N N . LYS AAA 1 1 N . LYS 1 2.272 9.242 10.891 1.000 13.571 . 1 LYS AAA N . 1 ATOM 2 H H . LYS AAA 1 1 H . LYS 1 1.867 8.826 11.594 1.000 13.605 . 1 LYS AAA H c 1 ATOM 3 H H2 . LYS AAA 1 1 H2 . LYS 1 2.731 10.023 11.208 1.000 13.605 . 1 LYS AAA H2 c 1 ATOM 4 H H3 . LYS AAA 1 1 H3 . LYS 1 2.909 8.641 10.496 1.000 13.605 . 1 LYS AAA H3 c 1 ATOM 5 C CA . LYS AAA 1 1 CA . LYS 1 1.271 9.617 9.879 1.000 13.683 . 1 LYS AAA CA . 1 ATOM 6 H HA . LYS AAA 1 1 HA . LYS 1 1.480 9.141 9.043 1.000 13.573 . 1 LYS AAA HA c 1 ATOM 7 C CB A LYS AAA 1 1 CB . LYS 1 -0.140 9.230 10.330 0.500 13.456 . 1 LYS AAA CB . 1 ATOM 8 H HB3 . LYS AAA 1 1 HB3 . LYS 1 -0.283 9.586 11.231 0.500 13.446 . 1 LYS AAA HB3 c 1 ATOM 9 H HB2 . LYS AAA 1 1 HB2 . LYS 1 -0.186 8.253 10.387 0.500 13.445 . 1 LYS AAA HB2 c 1 ATOM 10 C CG A LYS AAA 1 1 CG . LYS 1 -1.272 9.709 9.445 0.500 13.188 . 1 LYS AAA CG . 1 ATOM 11 H HG3 . LYS AAA 1 1 HG3 . LYS 1 -1.087 9.439 8.520 0.500 13.349 . 1 LYS AAA HG3 c 1 ATOM 12 H HG2 . LYS AAA 1 1 HG2 . LYS 1 -1.304 10.689 9.471 0.500 13.349 . 1 LYS AAA HG2 c 1 ATOM 13 C CD A LYS AAA 1 1 CD . LYS 1 -2.630 9.162 9.860 0.500 13.609 . 1 LYS AAA CD . 1 ATOM 14 H HD3 . LYS AAA 1 1 HD3 . LYS 1 -2.831 9.441 10.778 0.500 13.663 . 1 LYS AAA HD3 c 1 ATOM 15 H HD2 . LYS AAA 1 1 HD2 . LYS 1 -2.613 8.181 9.829 0.500 13.663 . 1 LYS AAA HD2 c 1 ATOM 16 C CE A LYS AAA 1 1 CE . LYS 1 -3.703 9.674 8.933 0.500 14.279 . 1 LYS AAA CE . 1 ATOM 17 H HE3 . LYS AAA 1 1 HE3 . LYS 1 -3.660 10.649 8.890 0.500 13.917 . 1 LYS AAA HE3 c 1 ATOM 18 H HE2 . LYS AAA 1 1 HE2 . LYS 1 -4.581 9.424 9.278 0.500 13.917 . 1 LYS AAA HE2 c 1 ATOM 19 N NZ A LYS AAA 1 1 NZ . LYS 1 -3.549 9.124 7.563 0.500 13.432 . 1 LYS AAA NZ . 1 ATOM 20 H HZ1 . LYS AAA 1 1 HZ1 . LYS 1 -2.740 9.359 7.227 0.500 13.688 . 1 LYS AAA HZ1 c 1 ATOM 21 H HZ2 . LYS AAA 1 1 HZ2 . LYS 1 -4.201 9.453 7.025 0.500 13.688 . 1 LYS AAA HZ2 c 1 ATOM 22 H HZ3 . LYS AAA 1 1 HZ3 . LYS 1 -3.610 8.220 7.587 0.500 13.688 . 1 LYS AAA HZ3 c 1 ATOM 23 C C . LYS AAA 1 1 C . LYS 1 1.328 11.130 9.617 1.000 13.441 . 1 LYS AAA C . 1 ATOM 24 O O . LYS AAA 1 1 O . LYS 1 1.288 11.945 10.544 1.000 13.382 . 1 LYS AAA O . 1 ATOM 26 N N . VAL AAA 1 2 N . VAL 2 1.389 11.520 8.364 1.000 14.013 . 2 VAL AAA N . 1 ATOM 27 H H . VAL AAA 1 2 H . VAL 2 1.443 10.946 7.658 1.000 13.642 . 2 VAL AAA H c 1 ATOM 28 C CA . VAL AAA 1 2 CA . VAL 2 1.372 12.963 7.988 1.000 13.035 . 2 VAL AAA CA . 1 ATOM 29 H HA . VAL AAA 1 2 HA . VAL 2 1.521 13.500 8.783 1.000 13.654 . 2 VAL AAA HA c 1 ATOM 30 C CB . VAL AAA 1 2 CB . VAL 2 2.432 13.320 6.943 1.000 14.424 . 2 VAL AAA CB . 1 ATOM 31 H HB . VAL AAA 1 2 HB . VAL 2 2.291 12.745 6.150 1.000 14.531 . 2 VAL AAA HB c 1 ATOM 32 C CG1 . VAL AAA 1 2 CG1 . VAL 2 2.301 14.762 6.521 1.000 15.202 . 2 VAL AAA CG1 . 1 ATOM 33 H HG11 . VAL AAA 1 2 HG11 . VAL 2 1.467 14.888 6.036 1.000 14.957 . 2 VAL AAA HG11 c 1 ATOM 34 H HG12 . VAL AAA 1 2 HG12 . VAL 2 3.048 15.000 5.944 1.000 14.959 . 2 VAL AAA HG12 c 1 ATOM 35 H HG13 . VAL AAA 1 2 HG13 . VAL 2 2.307 15.333 7.309 1.000 14.959 . 2 VAL AAA HG13 c 1 ATOM 36 C CG2 . VAL AAA 1 2 CG2 . VAL 2 3.800 13.046 7.496 1.000 15.744 . 2 VAL AAA CG2 . 1 ATOM 37 H HG21 . VAL AAA 1 2 HG21 . VAL 2 3.932 13.564 8.309 1.000 15.325 . 2 VAL AAA HG21 c 1 ATOM 38 H HG22 . VAL AAA 1 2 HG22 . VAL 2 4.472 13.298 6.839 1.000 15.325 . 2 VAL AAA HG22 c 1 ATOM 39 H HG23 . VAL AAA 1 2 HG23 . VAL 2 3.886 12.098 7.698 1.000 15.323 . 2 VAL AAA HG23 c 1 ATOM 40 C C . VAL AAA 1 2 C . VAL 2 -0.045 13.217 7.468 1.000 13.998 . 2 VAL AAA C . 1 ATOM 41 O O . VAL AAA 1 2 O . VAL 2 -0.423 12.735 6.374 1.000 12.819 . 2 VAL AAA O . 1 ATOM 43 N N . PHE AAA 1 3 N . PHE 3 -0.809 13.984 8.221 1.000 14.405 . 3 PHE AAA N . 1 ATOM 44 H H . PHE AAA 1 3 H . PHE 3 -0.528 14.391 8.987 1.000 13.963 . 3 PHE AAA H c 1 ATOM 45 C CA . PHE AAA 1 3 CA . PHE 3 -2.214 14.270 7.893 1.000 13.011 . 3 PHE AAA CA . 1 ATOM 46 H HA . PHE AAA 1 3 HA . PHE 3 -2.650 13.445 7.561 1.000 13.604 . 3 PHE AAA HA c 1 ATOM 47 C CB . PHE AAA 1 3 CB . PHE 3 -2.989 14.805 9.100 1.000 13.334 . 3 PHE AAA CB . 1 ATOM 48 H HB3 . PHE AAA 1 3 HB3 . PHE 3 -3.741 15.340 8.772 1.000 13.406 . 3 PHE AAA HB3 c 1 ATOM 49 H HB2 . PHE AAA 1 3 HB2 . PHE 3 -2.400 15.402 9.607 1.000 13.406 . 3 PHE AAA HB2 c 1 ATOM 50 C CG . PHE AAA 1 3 CG . PHE 3 -3.513 13.759 10.017 1.000 13.972 . 3 PHE AAA CG . 1 ATOM 51 C CD1 . PHE AAA 1 3 CD1 . PHE 3 -2.641 13.055 10.842 1.000 13.468 . 3 PHE AAA CD1 . 1 ATOM 52 H HD1 . PHE AAA 1 3 HD1 . PHE 3 -1.719 13.254 10.829 1.000 13.708 . 3 PHE AAA HD1 c 1 ATOM 53 C CE1 . PHE AAA 1 3 CE1 . PHE 3 -3.137 12.099 11.733 1.000 13.903 . 3 PHE AAA CE1 . 1 ATOM 54 H HE1 . PHE AAA 1 3 HE1 . PHE 3 -2.540 11.623 12.286 1.000 13.739 . 3 PHE AAA HE1 c 1 ATOM 55 C CZ . PHE AAA 1 3 CZ . PHE 3 -4.492 11.805 11.775 1.000 13.582 . 3 PHE AAA CZ . 1 ATOM 56 H HZ . PHE AAA 1 3 HZ . PHE 3 -4.822 11.144 12.362 1.000 13.912 . 3 PHE AAA HZ c 1 ATOM 57 C CD2 . PHE AAA 1 3 CD2 . PHE 3 -4.876 13.464 10.068 1.000 14.039 . 3 PHE AAA CD2 . 1 ATOM 58 H HD2 . PHE AAA 1 3 HD2 . PHE 3 -5.476 13.934 9.513 1.000 14.140 . 3 PHE AAA HD2 c 1 ATOM 59 C CE2 . PHE AAA 1 3 CE2 . PHE 3 -5.352 12.497 10.940 1.000 14.724 . 3 PHE AAA CE2 . 1 ATOM 60 H HE2 . PHE AAA 1 3 HE2 . PHE 3 -6.277 12.310 10.966 1.000 14.245 . 3 PHE AAA HE2 c 1 ATOM 61 C C . PHE AAA 1 3 C . PHE 3 -2.305 15.358 6.818 1.000 14.486 . 3 PHE AAA C . 1 ATOM 62 O O . PHE AAA 1 3 O . PHE 3 -1.420 16.216 6.684 1.000 13.770 . 3 PHE AAA O . 1 ATOM 64 N N . GLY AAA 1 4 N . GLY 4 -3.408 15.299 6.064 1.000 13.998 . 4 GLY AAA N . 1 ATOM 65 H H . GLY AAA 1 4 H . GLY 4 -4.004 14.612 6.102 1.000 13.923 . 4 GLY AAA H c 1 ATOM 66 C CA . GLY AAA 1 4 CA . GLY 4 -3.714 16.347 5.109 1.000 13.246 . 4 GLY AAA CA . 1 ATOM 67 H HA3 . GLY AAA 1 4 HA3 . GLY 4 -4.337 16.011 4.420 1.000 13.467 . 4 GLY AAA HA3 c 1 ATOM 68 H HA2 . GLY AAA 1 4 HA2 . GLY 4 -2.885 16.689 4.689 1.000 13.469 . 4 GLY AAA HA2 c 1 ATOM 69 C C . GLY AAA 1 4 C . GLY 4 -4.368 17.413 5.948 1.000 13.446 . 4 GLY AAA C . 1 ATOM 70 O O . GLY AAA 1 4 O . GLY 4 -4.844 17.076 7.041 1.000 13.299 . 4 GLY AAA O . 1 ATOM 72 N N . ARG AAA 1 5 N . ARG 5 -4.366 18.648 5.478 1.000 12.520 . 5 ARG AAA N . 1 ATOM 73 H H . ARG AAA 1 5 H . ARG 5 -4.012 18.891 4.674 1.000 12.797 . 5 ARG AAA H c 1 ATOM 74 C CA . ARG AAA 1 5 CA . ARG 5 -4.972 19.745 6.282 1.000 12.789 . 5 ARG AAA CA . 1 ATOM 75 H HA . ARG AAA 1 5 HA . ARG 5 -4.453 19.847 7.113 1.000 12.719 . 5 ARG AAA HA c 1 ATOM 76 C CB . ARG AAA 1 5 CB . ARG 5 -4.871 21.046 5.467 1.000 12.832 . 5 ARG AAA CB . 1 ATOM 77 H HB3 . ARG AAA 1 5 HB3 . ARG 5 -5.335 20.915 4.614 1.000 13.405 . 5 ARG AAA HB3 c 1 ATOM 78 H HB2 . ARG AAA 1 5 HB2 . ARG 5 -3.927 21.219 5.272 1.000 13.420 . 5 ARG AAA HB2 c 1 ATOM 79 C CG . ARG AAA 1 5 CG . ARG 5 -5.457 22.266 6.161 1.000 15.427 . 5 ARG AAA CG . 1 ATOM 80 H HG3 . ARG AAA 1 5 HG3 . ARG 5 -5.056 22.367 7.051 1.000 14.874 . 5 ARG AAA HG3 c 1 ATOM 81 H HG2 . ARG AAA 1 5 HG2 . ARG 5 -6.426 22.156 6.267 1.000 14.870 . 5 ARG AAA HG2 c 1 ATOM 82 C CD . ARG AAA 1 5 CD . ARG 5 -5.175 23.521 5.327 1.000 15.889 . 5 ARG AAA CD . 1 ATOM 83 H HD3 . ARG AAA 1 5 HD3 . ARG 5 -4.206 23.628 5.240 1.000 16.333 . 5 ARG AAA HD3 c 1 ATOM 84 H HD2 . ARG AAA 1 5 HD2 . ARG 5 -5.517 24.309 5.798 1.000 16.334 . 5 ARG AAA HD2 c 1 ATOM 85 N NE . ARG AAA 1 5 NE . ARG 5 -5.758 23.462 3.995 1.000 18.389 . 5 ARG AAA NE . 1 ATOM 86 H HE . ARG AAA 1 5 HE . ARG 5 -5.248 23.189 3.343 1.000 17.346 . 5 ARG AAA HE c 1 ATOM 87 C CZ . ARG AAA 1 5 CZ . ARG 5 -7.007 23.835 3.686 1.000 16.684 . 5 ARG AAA CZ . 1 ATOM 88 N NH1 . ARG AAA 1 5 NH1 . ARG 5 -7.812 24.258 4.630 1.000 16.733 . 5 ARG AAA NH1 . 1 ATOM 89 H HH11 . ARG AAA 1 5 HH11 . ARG 5 -7.533 24.312 5.457 1.000 16.757 . 5 ARG AAA HH11 c 1 ATOM 90 H HH12 . ARG AAA 1 5 HH12 . ARG 5 -8.635 24.495 4.429 1.000 16.760 . 5 ARG AAA HH12 c 1 ATOM 91 N NH2 . ARG AAA 1 5 NH2 . ARG 5 -7.457 23.755 2.434 1.000 17.575 . 5 ARG AAA NH2 . 1 ATOM 92 H HH21 . ARG AAA 1 5 HH21 . ARG 5 -6.924 23.466 1.795 1.000 17.270 . 5 ARG AAA HH21 c 1 ATOM 93 H HH22 . ARG AAA 1 5 HH22 . ARG 5 -8.284 23.994 2.247 1.000 17.270 . 5 ARG AAA HH22 c 1 ATOM 94 C C . ARG AAA 1 5 C . ARG 5 -6.440 19.431 6.646 1.000 12.649 . 5 ARG AAA C . 1 ATOM 95 O O . ARG AAA 1 5 O . ARG 5 -6.825 19.484 7.828 1.000 13.419 . 5 ARG AAA O . 1 ATOM 97 N N . CYS AAA 1 6 N . CYS 6 -7.293 19.195 5.661 1.000 13.039 . 6 CYS AAA N . 1 ATOM 98 H H . CYS AAA 1 6 H . CYS 6 -7.082 19.174 4.775 1.000 13.085 . 6 CYS AAA H c 1 ATOM 99 C CA . CYS AAA 1 6 CA . CYS 6 -8.750 18.930 5.950 1.000 13.599 . 6 CYS AAA CA . 1 ATOM 100 H HA . CYS AAA 1 6 HA . CYS 6 -9.081 19.662 6.516 1.000 13.437 . 6 CYS AAA HA c 1 ATOM 101 C CB . CYS AAA 1 6 CB . CYS 6 -9.533 18.941 4.648 1.000 15.183 . 6 CYS AAA CB . 1 ATOM 102 H HB3 . CYS AAA 1 6 HB3 . CYS 6 -10.448 18.641 4.826 1.000 15.144 . 6 CYS AAA HB3 c 1 ATOM 103 H HB2 . CYS AAA 1 6 HB2 . CYS 6 -9.126 18.302 4.027 1.000 15.146 . 6 CYS AAA HB2 c 1 ATOM 104 S SG . CYS AAA 1 6 SG . CYS 6 -9.615 20.573 3.823 1.000 16.804 . 6 CYS AAA SG . 1 ATOM 105 C C . CYS AAA 1 6 C . CYS 6 -8.943 17.625 6.704 1.000 11.895 . 6 CYS AAA C . 1 ATOM 106 O O . CYS AAA 1 6 O . CYS 6 -9.885 17.494 7.471 1.000 12.489 . 6 CYS AAA O . 1 ATOM 108 N N . GLU AAA 1 7 N . GLU 7 -8.091 16.651 6.410 1.000 12.390 . 7 GLU AAA N . 1 ATOM 109 H H . GLU AAA 1 7 H . GLU 7 -7.445 16.727 5.772 1.000 12.304 . 7 GLU AAA H c 1 ATOM 110 C CA . GLU AAA 1 7 CA . GLU 7 -8.128 15.345 7.088 1.000 12.497 . 7 GLU AAA CA . 1 ATOM 111 H HA . GLU AAA 1 7 HA . GLU 7 -9.008 14.940 6.942 1.000 12.417 . 7 GLU AAA HA c 1 ATOM 112 C CB . GLU AAA 1 7 CB . GLU 7 -7.061 14.429 6.515 1.000 12.783 . 7 GLU AAA CB . 1 ATOM 113 H HB3 . GLU AAA 1 7 HB3 . GLU 7 -6.191 14.865 6.611 1.000 12.870 . 7 GLU AAA HB3 c 1 ATOM 114 H HB2 . GLU AAA 1 7 HB2 . GLU 7 -7.234 14.303 5.559 1.000 12.866 . 7 GLU AAA HB2 c 1 ATOM 115 C CG . GLU AAA 1 7 CG . GLU 7 -7.016 13.062 7.201 1.000 13.436 . 7 GLU AAA CG . 1 ATOM 116 H HG3 . GLU AAA 1 7 HG3 . GLU 7 -7.870 12.602 7.057 1.000 13.133 . 7 GLU AAA HG3 c 1 ATOM 117 H HG2 . GLU AAA 1 7 HG2 . GLU 7 -6.903 13.184 8.165 1.000 13.099 . 7 GLU AAA HG2 c 1 ATOM 118 C CD . GLU AAA 1 7 CD . GLU 7 -5.893 12.175 6.684 1.000 12.633 . 7 GLU AAA CD . 1 ATOM 119 O OE1 . GLU AAA 1 7 OE1 . GLU 7 -4.932 12.721 6.127 1.000 14.181 . 7 GLU AAA OE1 . 1 ATOM 120 O OE2 . GLU AAA 1 7 OE2 . GLU 7 -6.078 10.936 6.712 1.000 15.086 . 7 GLU AAA OE2 . 1 ATOM 121 C C . GLU AAA 1 7 C . GLU 7 -7.942 15.575 8.585 1.000 11.914 . 7 GLU AAA C . 1 ATOM 122 O O . GLU AAA 1 7 O . GLU 7 -8.685 15.012 9.384 1.000 12.600 . 7 GLU AAA O . 1 ATOM 124 N N . LEU AAA 1 8 N . LEU 8 -6.958 16.391 8.936 1.000 12.169 . 8 LEU AAA N . 1 ATOM 125 H H . LEU AAA 1 8 H . LEU 8 -6.418 16.827 8.346 1.000 11.955 . 8 LEU AAA H c 1 ATOM 126 C CA . LEU AAA 1 8 CA . LEU 8 -6.670 16.636 10.362 1.000 11.522 . 8 LEU AAA CA . 1 ATOM 127 H HA . LEU AAA 1 8 HA . LEU 8 -6.616 15.769 10.825 1.000 11.513 . 8 LEU AAA HA c 1 ATOM 128 C CB . LEU AAA 1 8 CB . LEU 8 -5.375 17.413 10.569 1.000 11.636 . 8 LEU AAA CB . 1 ATOM 129 H HB3 . LEU AAA 1 8 HB3 . LEU 8 -5.447 18.264 10.093 1.000 11.847 . 8 LEU AAA HB3 c 1 ATOM 130 H HB2 . LEU AAA 1 8 HB2 . LEU 8 -4.644 16.908 10.163 1.000 11.853 . 8 LEU AAA HB2 c 1 ATOM 131 C CG . LEU AAA 1 8 CG . LEU 8 -5.018 17.699 12.025 1.000 12.687 . 8 LEU AAA CG . 1 ATOM 132 H HG . LEU AAA 1 8 HG . LEU 8 -5.729 18.257 12.426 1.000 12.111 . 8 LEU AAA HG c 1 ATOM 133 C CD1 . LEU AAA 1 8 CD1 . LEU 8 -4.881 16.413 12.847 1.000 12.001 . 8 LEU AAA CD1 . 1 ATOM 134 H HD11 . LEU AAA 1 8 HD11 . LEU 8 -5.750 15.980 12.924 1.000 12.205 . 8 LEU AAA HD11 c 1 ATOM 135 H HD12 . LEU AAA 1 8 HD12 . LEU 8 -4.549 16.630 13.736 1.000 12.207 . 8 LEU AAA HD12 c 1 ATOM 136 H HD13 . LEU AAA 1 8 HD13 . LEU 8 -4.257 15.811 12.406 1.000 12.207 . 8 LEU AAA HD13 c 1 ATOM 137 C CD2 . LEU AAA 1 8 CD2 . LEU 8 -3.699 18.474 12.087 1.000 11.465 . 8 LEU AAA CD2 . 1 ATOM 138 H HD21 . LEU AAA 1 8 HD21 . LEU 8 -2.993 17.947 11.673 1.000 11.829 . 8 LEU AAA HD21 c 1 ATOM 139 H HD22 . LEU AAA 1 8 HD22 . LEU 8 -3.469 18.650 13.016 1.000 11.829 . 8 LEU AAA HD22 c 1 ATOM 140 H HD23 . LEU AAA 1 8 HD23 . LEU 8 -3.795 19.317 11.612 1.000 11.829 . 8 LEU AAA HD23 c 1 ATOM 141 C C . LEU AAA 1 8 C . LEU 8 -7.805 17.444 10.955 1.000 10.729 . 8 LEU AAA C . 1 ATOM 142 O O . LEU AAA 1 8 O . LEU 8 -8.213 17.150 12.104 1.000 12.061 . 8 LEU AAA O . 1 ATOM 144 N N . ALA AAA 1 9 N . ALA 9 -8.330 18.417 10.213 1.000 12.869 . 9 ALA AAA N . 1 ATOM 145 H H . ALA AAA 1 9 H . ALA 9 -8.064 18.647 9.372 1.000 11.952 . 9 ALA AAA H c 1 ATOM 146 C CA . ALA AAA 1 9 CA . ALA 9 -9.435 19.244 10.742 1.000 11.273 . 9 ALA AAA CA . 1 ATOM 147 H HA . ALA AAA 1 9 HA . ALA 9 -9.126 19.691 11.565 1.000 11.836 . 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 11.865 . 9 ALA AAA CB . 1 ATOM 149 H HB3 . ALA AAA 1 9 HB3 . ALA 9 -10.130 19.872 8.902 1.000 11.680 . 9 ALA AAA HB3 c 1 ATOM 150 H HB2 . ALA AAA 1 9 HB2 . ALA 9 -9.079 20.879 9.532 1.000 11.680 . 9 ALA AAA HB2 c 1 ATOM 151 H HB1 . ALA AAA 1 9 HB1 . ALA 9 -10.567 20.840 10.081 1.000 11.680 . 9 ALA AAA HB1 c 1 ATOM 152 C C . ALA AAA 1 9 C . ALA 9 -10.620 18.355 11.087 1.000 12.117 . 9 ALA AAA C . 1 ATOM 153 O O . ALA AAA 1 9 O . ALA 9 -11.254 18.523 12.126 1.000 11.478 . 9 ALA AAA O . 1 ATOM 155 N N . ALA AAA 1 10 N . ALA 10 -10.947 17.423 10.188 1.000 12.235 . 10 ALA AAA N . 1 ATOM 156 H H . ALA AAA 1 10 H . ALA 10 -10.518 17.287 9.396 1.000 12.245 . 10 ALA AAA H c 1 ATOM 157 C CA . ALA AAA 1 10 CA . ALA 10 -12.070 16.515 10.409 1.000 12.404 . 10 ALA AAA CA . 1 ATOM 158 H HA . ALA AAA 1 10 HA . ALA 10 -12.879 17.052 10.579 1.000 12.225 . 10 ALA AAA HA c 1 ATOM 159 C CB . ALA AAA 1 10 CB . ALA 10 -12.283 15.685 9.144 1.000 11.739 . 10 ALA AAA CB . 1 ATOM 160 H HB3 . ALA AAA 1 10 HB3 . ALA 10 -11.484 15.164 8.957 1.000 11.940 . 10 ALA AAA HB3 c 1 ATOM 161 H HB2 . ALA AAA 1 10 HB2 . ALA 10 -12.466 16.276 8.394 1.000 11.940 . 10 ALA AAA HB2 c 1 ATOM 162 H HB1 . ALA AAA 1 10 HB1 . ALA 10 -13.037 15.084 9.272 1.000 11.940 . 10 ALA AAA HB1 c 1 ATOM 163 C C . ALA AAA 1 10 C . ALA 10 -11.794 15.647 11.639 1.000 12.212 . 10 ALA AAA C . 1 ATOM 164 O O . ALA AAA 1 10 O . ALA 10 -12.718 15.415 12.436 1.000 12.059 . 10 ALA AAA O . 1 ATOM 166 N N . ALA AAA 1 11 N . ALA 11 -10.578 15.145 11.811 1.000 12.298 . 11 ALA AAA N . 1 ATOM 167 H H . ALA AAA 1 11 H . ALA 11 -9.870 15.294 11.258 1.000 12.306 . 11 ALA AAA H c 1 ATOM 168 C CA . ALA AAA 1 11 CA . ALA 11 -10.255 14.257 12.958 1.000 12.416 . 11 ALA AAA CA . 1 ATOM 169 H HA . ALA AAA 1 11 HA . ALA 11 -10.909 13.521 12.985 1.000 12.432 . 11 ALA AAA HA c 1 ATOM 170 C CB . ALA AAA 1 11 CB . ALA 11 -8.851 13.675 12.802 1.000 12.682 . 11 ALA AAA CB . 1 ATOM 171 H HB3 . ALA AAA 1 11 HB3 . ALA 11 -8.201 14.398 12.765 1.000 12.602 . 11 ALA AAA HB3 c 1 ATOM 172 H HB2 . ALA AAA 1 11 HB2 . ALA 11 -8.803 13.157 11.981 1.000 12.611 . 11 ALA AAA HB2 c 1 ATOM 173 H HB1 . ALA AAA 1 11 HB1 . ALA 11 -8.651 13.100 13.559 1.000 12.602 . 11 ALA AAA HB1 c 1 ATOM 174 C C . ALA AAA 1 11 C . ALA 11 -10.373 15.070 14.249 1.000 12.302 . 11 ALA AAA C . 1 ATOM 175 O O . ALA AAA 1 11 O . ALA 11 -10.910 14.560 15.252 1.000 12.749 . 11 ALA AAA O . 1 ATOM 177 N N . MET AAA 1 12 N . MET 12 -9.865 16.313 14.248 1.000 12.162 . 12 MET AAA N . 1 ATOM 178 H H . MET AAA 1 12 H . MET 12 -9.479 16.706 13.523 1.000 12.342 . 12 MET AAA H c 1 ATOM 179 C CA . MET AAA 1 12 CA . MET 12 -9.898 17.132 15.471 1.000 12.776 . 12 MET AAA CA . 1 ATOM 180 H HA . MET AAA 1 12 HA . MET 12 -9.518 16.608 16.214 1.000 12.752 . 12 MET AAA HA c 1 ATOM 181 C CB . MET AAA 1 12 CB . MET 12 -9.099 18.410 15.279 1.000 13.346 . 12 MET AAA CB . 1 ATOM 182 H HB3 . MET AAA 1 12 HB3 . MET 12 -9.287 19.015 16.024 1.000 13.101 . 12 MET AAA HB3 c 1 ATOM 183 H HB2 . MET AAA 1 12 HB2 . MET 12 -9.400 18.848 14.458 1.000 13.095 . 12 MET AAA HB2 c 1 ATOM 184 C CG . MET AAA 1 12 CG . MET 12 -7.584 18.179 15.195 1.000 12.896 . 12 MET AAA CG . 1 ATOM 185 H HG3 . MET AAA 1 12 HG3 . MET 12 -7.378 17.554 14.468 1.000 12.966 . 12 MET AAA HG3 c 1 ATOM 186 H HG2 . MET AAA 1 12 HG2 . MET 12 -7.256 17.799 16.038 1.000 12.968 . 12 MET AAA HG2 c 1 ATOM 187 S SD . MET AAA 1 12 SD . MET 12 -6.774 19.756 14.888 1.000 12.760 . 12 MET AAA SD . 1 ATOM 188 C CE . MET AAA 1 12 CE . MET 12 -5.144 19.473 15.591 1.000 14.471 . 12 MET AAA CE . 1 ATOM 189 H HE3 . MET AAA 1 12 HE3 . MET 12 -4.725 18.728 15.142 1.000 13.919 . 12 MET AAA HE3 c 1 ATOM 190 H HE2 . MET AAA 1 12 HE2 . MET 12 -5.230 19.274 16.532 1.000 13.919 . 12 MET AAA HE2 c 1 ATOM 191 H HE1 . MET AAA 1 12 HE1 . MET 12 -4.603 20.263 15.477 1.000 13.911 . 12 MET AAA HE1 c 1 ATOM 192 C C . MET AAA 1 12 C . MET 12 -11.338 17.504 15.811 1.000 12.725 . 12 MET AAA C . 1 ATOM 193 O O . MET AAA 1 12 O . MET 12 -11.694 17.506 17.011 1.000 13.082 . 12 MET AAA O . 1 ATOM 195 N N . LYS AAA 1 13 N . LYS 13 -12.168 17.766 14.802 1.000 13.099 . 13 LYS AAA N . 1 ATOM 196 H H . LYS AAA 1 13 H . LYS 13 -11.912 17.750 13.928 1.000 13.237 . 13 LYS AAA H c 1 ATOM 197 C CA . LYS AAA 1 13 CA . LYS 13 -13.601 18.123 15.022 1.000 14.075 . 13 LYS AAA CA . 1 ATOM 198 H HA . LYS AAA 1 13 HA . LYS 13 -13.646 18.860 15.671 1.000 14.095 . 13 LYS AAA HA c 1 ATOM 199 C CB . LYS AAA 1 13 CB . LYS 13 -14.232 18.568 13.712 1.000 14.693 . 13 LYS AAA CB . 1 ATOM 200 H HB3 . LYS AAA 1 13 HB3 . LYS 13 -14.107 17.862 13.044 1.000 14.827 . 13 LYS AAA HB3 c 1 ATOM 201 H HB2 . LYS AAA 1 13 HB2 . LYS 13 -13.772 19.373 13.395 1.000 14.821 . 13 LYS AAA HB2 c 1 ATOM 202 C CG . LYS AAA 1 13 CG . LYS 13 -15.712 18.865 13.841 1.000 15.968 . 13 LYS AAA CG . 1 ATOM 203 H HG3 . LYS AAA 1 13 HG3 . LYS 13 -15.862 19.390 14.654 1.000 15.733 . 13 LYS AAA HG3 c 1 ATOM 204 H HG2 . LYS AAA 1 13 HG2 . LYS 13 -16.200 18.019 13.933 1.000 15.732 . 13 LYS AAA HG2 c 1 ATOM 205 C CD . LYS AAA 1 13 CD . LYS 13 -16.255 19.613 12.666 1.000 16.301 . 13 LYS AAA CD . 1 ATOM 206 H HD3 . LYS AAA 1 13 HD3 . LYS 13 -16.168 19.066 11.857 1.000 16.694 . 13 LYS AAA HD3 c 1 ATOM 207 H HD2 . LYS AAA 1 13 HD2 . LYS 13 -15.745 20.441 12.540 1.000 16.708 . 13 LYS AAA HD2 c 1 ATOM 208 C CE . LYS AAA 1 13 CE . LYS 13 -17.718 19.948 12.897 1.000 18.396 . 13 LYS AAA CE . 1 ATOM 209 H HE3 . LYS AAA 1 13 HE3 . LYS 13 -17.803 20.479 13.711 1.000 18.222 . 13 LYS AAA HE3 c 1 ATOM 210 H HE2 . LYS AAA 1 13 HE2 . LYS 13 -18.222 19.122 13.026 1.000 18.222 . 13 LYS AAA HE2 c 1 ATOM 211 N NZ . LYS AAA 1 13 NZ . LYS 13 -18.312 20.698 11.778 1.000 19.941 . 13 LYS AAA NZ . 1 ATOM 212 H HZ1 . LYS AAA 1 13 HZ1 . LYS 13 -17.928 21.518 11.719 1.000 19.453 . 13 LYS AAA HZ1 c 1 ATOM 213 H HZ2 . LYS AAA 1 13 HZ2 . LYS 13 -19.204 20.796 11.912 1.000 19.453 . 13 LYS AAA HZ2 c 1 ATOM 214 H HZ3 . LYS AAA 1 13 HZ3 . LYS 13 -18.175 20.252 11.003 1.000 19.453 . 13 LYS AAA HZ3 c 1 ATOM 215 C C . LYS AAA 1 13 C . LYS 13 -14.319 16.909 15.590 1.000 14.587 . 13 LYS AAA C . 1 ATOM 216 O O . LYS AAA 1 13 O . LYS 13 -15.086 17.037 16.565 1.000 13.710 . 13 LYS AAA O . 1 ATOM 218 N N . ARG AAA 1 14 N . ARG 14 -14.058 15.741 15.027 1.000 14.207 . 14 ARG AAA N . 1 ATOM 219 H H . ARG AAA 1 14 H . ARG 14 -13.497 15.640 14.316 1.000 14.324 . 14 ARG AAA H c 1 ATOM 220 C CA . ARG AAA 1 14 CA . ARG 14 -14.680 14.490 15.511 1.000 14.315 . 14 ARG AAA CA . 1 ATOM 221 H HA . ARG AAA 1 14 HA . ARG 14 -15.656 14.612 15.463 1.000 14.564 . 14 ARG AAA HA c 1 ATOM 222 C CB . ARG AAA 1 14 CB . ARG 14 -14.312 13.340 14.581 1.000 15.683 . 14 ARG AAA CB . 1 ATOM 223 H HB3 . ARG AAA 1 14 HB3 . ARG 14 -13.335 13.284 14.529 1.000 15.508 . 14 ARG AAA HB3 c 1 ATOM 224 H HB2 . ARG AAA 1 14 HB2 . ARG 14 -14.649 13.546 13.684 1.000 15.508 . 14 ARG AAA HB2 c 1 ATOM 225 C CG . ARG AAA 1 14 CG . ARG 14 -14.858 11.986 15.009 1.000 16.377 . 14 ARG AAA CG . 1 ATOM 226 H HG3 . ARG AAA 1 14 HG3 . ARG 14 -15.803 12.078 15.255 1.000 16.145 . 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 16.132 . 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 16.018 . 14 ARG AAA CD . 1 ATOM 229 H HD3 . ARG AAA 1 14 HD3 . ARG 14 -15.281 11.230 13.146 1.000 16.440 . 14 ARG AAA HD3 c 1 ATOM 230 H HD2 . ARG AAA 1 14 HD2 . ARG 14 -15.052 10.092 14.237 1.000 16.448 . 14 ARG AAA HD2 c 1 ATOM 231 N NE . ARG AAA 1 14 NE . ARG 14 -13.328 10.879 13.524 1.000 17.487 . 14 ARG AAA NE . 1 ATOM 232 H HE . ARG AAA 1 14 HE . ARG 14 -13.082 11.315 12.810 1.000 17.202 . 14 ARG AAA HE c 1 ATOM 233 C CZ . ARG AAA 1 14 CZ . ARG 14 -12.411 10.156 14.143 1.000 17.482 . 14 ARG AAA CZ . 1 ATOM 234 N NH1 . ARG AAA 1 14 NH1 . ARG 14 -12.725 9.455 15.228 1.000 18.452 . 14 ARG AAA NH1 . 1 ATOM 235 H HH11 . ARG AAA 1 14 HH11 . ARG 14 -13.545 9.458 15.538 1.000 18.097 . 14 ARG AAA HH11 c 1 ATOM 236 H HH12 . ARG AAA 1 14 HH12 . ARG 14 -12.105 8.983 15.634 1.000 18.109 . 14 ARG AAA HH12 c 1 ATOM 237 N NH2 . ARG AAA 1 14 NH2 . ARG 14 -11.175 10.153 13.664 1.000 18.886 . 14 ARG AAA NH2 . 1 ATOM 238 H HH21 . ARG AAA 1 14 HH21 . ARG 14 -10.979 10.624 12.946 1.000 18.370 . 14 ARG AAA HH21 c 1 ATOM 239 H HH22 . ARG AAA 1 14 HH22 . ARG 14 -10.549 9.685 14.070 1.000 18.370 . 14 ARG AAA HH22 c 1 ATOM 240 C C . ARG AAA 1 14 C . ARG 14 -14.322 14.234 16.974 1.000 14.414 . 14 ARG AAA C . 1 ATOM 241 O O . ARG AAA 1 14 O . ARG 14 -15.172 13.747 17.737 1.000 15.186 . 14 ARG AAA O . 1 ATOM 243 N N . HIS AAA 1 15 N . HIS 15 -13.099 14.564 17.375 1.000 14.661 . 15 HIS AAA N . 1 ATOM 244 H H . HIS AAA 1 15 H . HIS 15 -12.461 14.940 16.845 1.000 14.799 . 15 HIS AAA H c 1 ATOM 245 C CA . HIS AAA 1 15 CA . HIS 15 -12.656 14.334 18.774 1.000 15.500 . 15 HIS AAA CA . 1 ATOM 246 H HA . HIS AAA 1 15 HA . HIS 15 -13.111 13.521 19.099 1.000 15.166 . 15 HIS AAA HA c 1 ATOM 247 C CB . HIS AAA 1 15 CB . HIS 15 -11.170 14.067 18.805 1.000 15.625 . 15 HIS AAA CB . 1 ATOM 248 H HB3 . HIS AAA 1 15 HB3 . HIS 15 -10.850 14.163 19.729 1.000 15.862 . 15 HIS AAA HB3 c 1 ATOM 249 H HB2 . HIS AAA 1 15 HB2 . HIS 15 -10.713 14.746 18.260 1.000 15.872 . 15 HIS AAA HB2 c 1 ATOM 250 C CG . HIS AAA 1 15 CG . HIS 15 -10.784 12.712 18.309 1.000 16.859 . 15 HIS AAA CG . 1 ATOM 251 N ND1 . HIS AAA 1 15 ND1 . HIS 15 -11.065 11.563 18.982 1.000 17.411 . 15 HIS AAA ND1 . 1 ATOM 252 H HD1 . HIS AAA 1 15 HD1 . HIS 15 -11.488 11.508 19.748 0.000 17.350 . 15 HIS AAA HD1 c 1 ATOM 253 C CE1 . HIS AAA 1 15 CE1 . HIS 15 -10.647 10.532 18.300 1.000 16.335 . 15 HIS AAA CE1 . 1 ATOM 254 H HE1 . HIS AAA 1 15 HE1 . HIS 15 -10.723 9.637 18.573 1.000 16.789 . 15 HIS AAA HE1 c 1 ATOM 255 N NE2 . HIS AAA 1 15 NE2 . HIS 15 -10.062 10.947 17.184 1.000 17.208 . 15 HIS AAA NE2 . 1 ATOM 256 H HE2 . HIS AAA 1 15 HE2 . HIS 15 -9.700 10.435 16.570 0.000 17.270 . 15 HIS AAA HE2 c 1 ATOM 257 C CD2 . HIS AAA 1 15 CD2 . HIS 15 -10.164 12.324 17.163 1.000 16.886 . 15 HIS AAA CD2 . 1 ATOM 258 H HD2 . HIS AAA 1 15 HD2 . HIS 15 -9.833 12.889 16.491 1.000 16.924 . 15 HIS AAA HD2 c 1 ATOM 259 C C . HIS AAA 1 15 C . HIS 15 -13.061 15.489 19.703 1.000 14.490 . 15 HIS AAA C . 1 ATOM 260 O O . HIS AAA 1 15 O . HIS 15 -12.578 15.523 20.850 1.000 14.716 . 15 HIS AAA O . 1 ATOM 262 N N . GLY AAA 1 16 N . GLY 16 -13.913 16.383 19.221 1.000 15.315 . 16 GLY AAA N . 1 ATOM 263 H H . GLY AAA 1 16 H . GLY 16 -14.252 16.342 18.381 1.000 15.039 . 16 GLY AAA H c 1 ATOM 264 C CA . GLY AAA 1 16 CA . GLY 16 -14.386 17.537 20.011 1.000 14.995 . 16 GLY AAA CA . 1 ATOM 265 H HA3 . GLY AAA 1 16 HA3 . GLY 16 -14.746 17.191 20.866 1.000 15.115 . 16 GLY AAA HA3 c 1 ATOM 266 H HA2 . GLY AAA 1 16 HA2 . GLY 16 -15.145 17.940 19.531 1.000 15.138 . 16 GLY AAA HA2 c 1 ATOM 267 C C . GLY AAA 1 16 C . GLY 16 -13.384 18.643 20.329 1.000 15.164 . 16 GLY AAA C . 1 ATOM 268 O O . GLY AAA 1 16 O . GLY 16 -13.560 19.304 21.357 1.000 15.520 . 16 GLY AAA O . 1 ATOM 270 N N . LEU AAA 1 17 N . LEU 17 -12.386 18.880 19.498 1.000 15.423 . 17 LEU AAA N . 1 ATOM 271 H H . LEU AAA 1 17 H . LEU 17 -12.249 18.408 18.732 1.000 15.150 . 17 LEU AAA H c 1 ATOM 272 C CA . LEU AAA 1 17 CA . LEU 17 -11.402 19.973 19.748 1.000 14.542 . 17 LEU AAA CA . 1 ATOM 273 H HA . LEU AAA 1 17 HA . LEU 17 -11.260 20.056 20.716 1.000 14.876 . 17 LEU AAA HA c 1 ATOM 274 C CB . LEU AAA 1 17 CB . LEU 17 -10.076 19.691 19.042 1.000 14.906 . 17 LEU AAA CB . 1 ATOM 275 H HB3 . LEU AAA 1 17 HB3 . LEU 17 -9.856 20.470 18.493 1.000 14.816 . 17 LEU AAA HB3 c 1 ATOM 276 H HB2 . LEU AAA 1 17 HB2 . LEU 17 -10.212 18.940 18.431 1.000 14.816 . 17 LEU AAA HB2 c 1 ATOM 277 C CG . LEU AAA 1 17 CG . LEU 17 -8.868 19.372 19.914 1.000 14.900 . 17 LEU AAA CG . 1 ATOM 278 H HG . LEU AAA 1 17 HG . LEU 17 -8.898 18.416 20.158 1.000 14.704 . 17 LEU AAA HG c 1 ATOM 279 C CD1 . LEU AAA 1 17 CD1 . LEU 17 -7.608 19.626 19.071 1.000 14.276 . 17 LEU AAA CD1 . 1 ATOM 280 H HD11 . LEU AAA 1 17 HD11 . LEU 17 -7.611 19.036 18.298 1.000 14.461 . 17 LEU AAA HD11 c 1 ATOM 281 H HD12 . LEU AAA 1 17 HD12 . LEU 17 -6.817 19.452 19.609 1.000 14.461 . 17 LEU AAA HD12 c 1 ATOM 282 H HD13 . LEU AAA 1 17 HD13 . LEU 17 -7.598 20.550 18.771 1.000 14.447 . 17 LEU AAA HD13 c 1 ATOM 283 C CD2 . LEU AAA 1 17 CD2 . LEU 17 -8.865 20.195 21.175 1.000 14.545 . 17 LEU AAA CD2 . 1 ATOM 284 H HD21 . LEU AAA 1 17 HD21 . LEU 17 -9.118 21.113 20.965 1.000 14.645 . 17 LEU AAA HD21 c 1 ATOM 285 H HD22 . LEU AAA 1 17 HD22 . LEU 17 -7.971 20.186 21.565 1.000 14.652 . 17 LEU AAA HD22 c 1 ATOM 286 H HD23 . LEU AAA 1 17 HD23 . LEU 17 -9.499 19.819 21.813 1.000 14.652 . 17 LEU AAA HD23 c 1 ATOM 287 C C . LEU AAA 1 17 C . LEU 17 -11.934 21.303 19.206 1.000 15.067 . 17 LEU AAA C . 1 ATOM 288 O O . LEU AAA 1 17 O . LEU 17 -11.518 22.326 19.681 1.000 15.383 . 17 LEU AAA O . 1 ATOM 290 N N . ASP AAA 1 18 N . ASP 18 -12.800 21.280 18.200 1.000 15.724 . 18 ASP AAA N . 1 ATOM 291 H H . ASP AAA 1 18 H . ASP 18 -13.077 20.510 17.801 1.000 15.468 . 18 ASP AAA H c 1 ATOM 292 C CA . ASP AAA 1 18 CA . ASP 18 -13.363 22.503 17.622 1.000 15.315 . 18 ASP AAA CA . 1 ATOM 293 H HA . ASP AAA 1 18 HA . ASP 18 -12.610 23.071 17.336 1.000 15.290 . 18 ASP AAA HA c 1 ATOM 294 C CB . ASP AAA 1 18 CB . ASP 18 -14.193 22.181 16.381 1.000 15.136 . 18 ASP AAA CB . 1 ATOM 295 H HB3 . ASP AAA 1 18 HB3 . ASP 18 -13.612 21.795 15.696 1.000 15.079 . 18 ASP AAA HB3 c 1 ATOM 296 H HB2 . ASP AAA 1 18 HB2 . ASP 18 -14.571 23.012 16.029 1.000 15.104 . 18 ASP AAA HB2 c 1 ATOM 297 C CG . ASP AAA 1 18 CG . ASP 18 -15.325 21.210 16.651 1.000 14.767 . 18 ASP AAA CG . 1 ATOM 298 O OD1 . ASP AAA 1 18 OD1 . ASP 18 -15.068 20.119 17.249 1.000 15.208 . 18 ASP AAA OD1 . 1 ATOM 299 O OD2 . ASP AAA 1 18 OD2 . ASP 18 -16.473 21.544 16.272 1.000 17.026 . 18 ASP AAA OD2 . 1 ATOM 300 C C . ASP AAA 1 18 C . ASP 18 -14.178 23.274 18.657 1.000 14.992 . 18 ASP AAA C . 1 ATOM 301 O O . ASP AAA 1 18 O . ASP 18 -15.122 22.733 19.245 1.000 13.605 . 18 ASP AAA O . 1 ATOM 303 N N . ASN AAA 1 19 N . ASN 19 -13.758 24.497 18.909 1.000 13.899 . 19 ASN AAA N . 1 ATOM 304 H H . ASN AAA 1 19 H . ASN 19 -13.056 24.874 18.468 1.000 14.337 . 19 ASN AAA H c 1 ATOM 305 C CA . ASN AAA 1 19 CA . ASN 19 -14.371 25.393 19.923 1.000 14.676 . 19 ASN AAA CA . 1 ATOM 306 H HA . ASN AAA 1 19 HA . ASN 19 -13.994 26.291 19.789 1.000 14.312 . 19 ASN AAA HA c 1 ATOM 307 C CB . ASN AAA 1 19 CB . ASN 19 -15.887 25.494 19.681 1.000 15.299 . 19 ASN AAA CB . 1 ATOM 308 H HB3 . ASN AAA 1 19 HB3 . ASN 19 -16.249 26.206 20.247 1.000 15.459 . 19 ASN AAA HB3 c 1 ATOM 309 H HB2 . ASN AAA 1 19 HB2 . ASN 19 -16.311 24.654 19.948 1.000 15.447 . 19 ASN AAA HB2 c 1 ATOM 310 C CG . ASN AAA 1 19 CG . ASN 19 -16.236 25.791 18.234 1.000 16.592 . 19 ASN AAA CG . 1 ATOM 311 O OD1 . ASN AAA 1 19 OD1 . ASN 19 -15.640 26.732 17.693 1.000 19.658 . 19 ASN AAA OD1 . 1 ATOM 312 N ND2 . ASN AAA 1 19 ND2 . ASN 19 -17.203 25.058 17.672 1.000 18.765 . 19 ASN AAA ND2 . 1 ATOM 313 H HD21 . ASN AAA 1 19 HD21 . ASN 19 -17.435 25.199 16.832 0.000 18.580 . 19 ASN AAA HD21 c 1 ATOM 314 H HD22 . ASN AAA 1 19 HD22 . ASN 19 -17.614 24.430 18.143 0.000 18.580 . 19 ASN AAA HD22 c 1 ATOM 315 C C . ASN AAA 1 19 C . ASN 19 -14.069 24.968 21.351 1.000 12.894 . 19 ASN AAA C . 1 ATOM 316 O O . ASN AAA 1 19 O . ASN 19 -14.658 25.501 22.284 1.000 13.095 . 19 ASN AAA O . 1 ATOM 318 N N . TYR AAA 1 20 N . TYR 20 -13.179 24.010 21.544 1.000 13.296 . 20 TYR AAA N . 1 ATOM 319 H H . TYR AAA 1 20 H . TYR 20 -12.711 23.586 20.889 1.000 13.326 . 20 TYR AAA H c 1 ATOM 320 C CA . TYR AAA 1 20 CA . TYR 20 -12.831 23.562 22.909 1.000 13.823 . 20 TYR AAA CA . 1 ATOM 321 H HA . TYR AAA 1 20 HA . TYR 20 -13.665 23.324 23.390 1.000 13.419 . 20 TYR AAA HA c 1 ATOM 322 C CB . TYR AAA 1 20 CB . TYR 20 -11.916 22.350 22.879 1.000 12.526 . 20 TYR AAA CB . 1 ATOM 323 H HB3 . TYR AAA 1 20 HB3 . TYR 20 -11.032 22.626 22.559 1.000 13.003 . 20 TYR AAA HB3 c 1 ATOM 324 H HB2 . TYR AAA 1 20 HB2 . TYR 20 -12.279 21.691 22.251 1.000 13.004 . 20 TYR AAA HB2 c 1 ATOM 325 C CG . TYR AAA 1 20 CG . TYR 20 -11.782 21.721 24.241 1.000 13.304 . 20 TYR AAA CG . 1 ATOM 326 C CD1 . TYR AAA 1 20 CD1 . TYR 20 -12.738 20.836 24.740 1.000 14.226 . 20 TYR AAA CD1 . 1 ATOM 327 H HD1 . TYR AAA 1 20 HD1 . TYR 20 -13.452 20.575 24.182 1.000 14.031 . 20 TYR AAA HD1 c 1 ATOM 328 C CE1 . TYR AAA 1 20 CE1 . TYR 20 -12.646 20.284 26.012 1.000 14.697 . 20 TYR AAA CE1 . 1 ATOM 329 H HE1 . TYR AAA 1 20 HE1 . TYR 20 -13.306 19.687 26.326 1.000 14.045 . 20 TYR AAA HE1 c 1 ATOM 330 C CZ . TYR AAA 1 20 CZ . TYR 20 -11.600 20.669 26.833 1.000 12.812 . 20 TYR AAA CZ . 1 ATOM 331 O OH . TYR AAA 1 20 OH . TYR 20 -11.550 20.167 28.110 1.000 13.642 . 20 TYR AAA OH . 1 ATOM 332 H HH . TYR AAA 1 20 HH . TYR 20 -11.492 19.313 28.085 0.000 13.590 . 20 TYR AAA HH c 1 ATOM 333 C CE2 . TYR AAA 1 20 CE2 . TYR 20 -10.679 21.605 26.374 1.000 13.426 . 20 TYR AAA CE2 . 1 ATOM 334 H HE2 . TYR AAA 1 20 HE2 . TYR 20 -9.950 21.841 26.923 1.000 13.120 . 20 TYR AAA HE2 c 1 ATOM 335 C CD2 . TYR AAA 1 20 CD2 . TYR 20 -10.728 22.074 25.062 1.000 12.573 . 20 TYR AAA CD2 . 1 ATOM 336 H HD2 . TYR AAA 1 20 HD2 . TYR 20 -10.108 22.722 24.774 1.000 12.992 . 20 TYR AAA HD2 c 1 ATOM 337 C C . TYR AAA 1 20 C . TYR 20 -12.159 24.728 23.632 1.000 13.568 . 20 TYR AAA C . 1 ATOM 338 O O . TYR AAA 1 20 O . TYR 20 -11.214 25.301 23.079 1.000 11.805 . 20 TYR AAA O . 1 ATOM 340 N N . ARG AAA 1 21 N . ARG 21 -12.633 25.034 24.834 1.000 14.245 . 21 ARG AAA N . 1 ATOM 341 H H . ARG AAA 1 21 H . ARG 21 -13.281 24.547 25.250 1.000 13.878 . 21 ARG AAA H c 1 ATOM 342 C CA . ARG AAA 1 21 CA . ARG 21 -12.150 26.202 25.624 1.000 13.390 . 21 ARG AAA CA . 1 ATOM 343 H HA . ARG AAA 1 21 HA . ARG 21 -12.739 26.313 26.404 1.000 13.529 . 21 ARG AAA HA c 1 ATOM 344 C CB . ARG AAA 1 21 CB . ARG 21 -10.715 25.963 26.110 1.000 13.708 . 21 ARG AAA CB . 1 ATOM 345 H HB3 . ARG AAA 1 21 HB3 . ARG 21 -10.335 26.818 26.396 1.000 13.735 . 21 ARG AAA HB3 c 1 ATOM 346 H HB2 . ARG AAA 1 21 HB2 . ARG 21 -10.180 25.635 25.359 1.000 13.727 . 21 ARG AAA HB2 c 1 ATOM 347 C CG . ARG AAA 1 21 CG . ARG 21 -10.598 24.968 27.265 1.000 14.132 . 21 ARG AAA CG . 1 ATOM 348 H HG3 . ARG AAA 1 21 HG3 . ARG 21 -9.656 24.734 27.396 1.000 14.163 . 21 ARG AAA HG3 c 1 ATOM 349 H HG2 . ARG AAA 1 21 HG2 . ARG 21 -11.084 24.149 27.036 1.000 14.164 . 21 ARG AAA HG2 c 1 ATOM 350 C CD . ARG AAA 1 21 CD . ARG 21 -11.152 25.521 28.571 1.000 14.733 . 21 ARG AAA CD . 1 ATOM 351 H HD3 . ARG AAA 1 21 HD3 . ARG 21 -11.141 24.805 29.236 1.000 15.058 . 21 ARG AAA HD3 c 1 ATOM 352 H HD2 . ARG AAA 1 21 HD2 . ARG 21 -12.087 25.783 28.435 1.000 15.035 . 21 ARG AAA HD2 c 1 ATOM 353 N NE . ARG AAA 1 21 NE . ARG 21 -10.422 26.652 29.105 0.500 16.623 . 21 ARG AAA NE . 1 ATOM 354 H HE . ARG AAA 1 21 HE . ARG 21 -9.943 27.124 28.551 0.500 16.336 . 21 ARG AAA HE c 1 ATOM 355 C CZ . ARG AAA 1 21 CZ . ARG 21 -10.424 27.035 30.393 0.500 17.132 . 21 ARG AAA CZ . 1 ATOM 356 N NH1 . ARG AAA 1 21 NH1 . ARG 21 -11.125 26.376 31.304 0.500 17.714 . 21 ARG AAA NH1 . 1 ATOM 357 H HH11 . ARG AAA 1 21 HH11 . ARG 21 -11.602 25.676 31.077 0.500 17.466 . 21 ARG AAA HH11 c 1 ATOM 358 H HH12 . ARG AAA 1 21 HH12 . ARG 21 -11.112 26.647 32.140 0.500 17.473 . 21 ARG AAA HH12 c 1 ATOM 359 N NH2 . ARG AAA 1 21 NH2 . ARG 21 -9.720 28.088 30.762 0.500 18.068 . 21 ARG AAA NH2 . 1 ATOM 360 H HH21 . ARG AAA 1 21 HH21 . ARG 21 -9.250 28.533 30.164 0.500 17.687 . 21 ARG AAA HH21 c 1 ATOM 361 H HH22 . ARG AAA 1 21 HH22 . ARG 21 -9.719 28.342 31.606 0.500 17.687 . 21 ARG AAA HH22 c 1 ATOM 362 C C . ARG AAA 1 21 C . ARG 21 -12.216 27.469 24.781 1.000 12.949 . 21 ARG AAA C . 1 ATOM 363 O O . ARG AAA 1 21 O . ARG 21 -11.406 28.380 24.980 1.000 12.189 . 21 ARG AAA O . 1 ATOM 365 N N . GLY AAA 1 22 N . GLY 22 -13.160 27.556 23.850 1.000 12.303 . 22 GLY AAA N . 1 ATOM 366 H H . GLY AAA 1 22 H . GLY 22 -13.745 26.883 23.668 1.000 12.283 . 22 GLY AAA H c 1 ATOM 367 C CA . GLY AAA 1 22 CA . GLY 22 -13.358 28.772 23.066 1.000 11.579 . 22 GLY AAA CA . 1 ATOM 368 H HA3 . GLY AAA 1 22 HA3 . GLY 22 -13.207 29.555 23.652 1.000 11.774 . 22 GLY AAA HA3 c 1 ATOM 369 H HA2 . GLY AAA 1 22 HA2 . GLY 22 -14.303 28.803 22.774 1.000 11.790 . 22 GLY AAA HA2 c 1 ATOM 370 C C . GLY AAA 1 22 C . GLY 22 -12.469 28.892 21.851 1.000 11.664 . 22 GLY AAA C . 1 ATOM 371 O O . GLY AAA 1 22 O . GLY 22 -12.545 29.913 21.119 1.000 11.499 . 22 GLY AAA O . 1 ATOM 373 N N . TYR AAA 1 23 N . TYR 23 -11.607 27.921 21.561 1.000 11.911 . 23 TYR AAA N . 1 ATOM 374 H H . TYR AAA 1 23 H . TYR 23 -11.538 27.144 22.029 1.000 11.641 . 23 TYR AAA H c 1 ATOM 375 C CA . TYR AAA 1 23 CA . TYR 23 -10.663 27.994 20.417 1.000 11.034 . 23 TYR AAA CA . 1 ATOM 376 H HA . TYR AAA 1 23 HA . TYR 23 -10.525 28.947 20.182 1.000 11.200 . 23 TYR AAA HA c 1 ATOM 377 C CB . TYR AAA 1 23 CB . TYR 23 -9.330 27.403 20.790 1.000 10.967 . 23 TYR AAA CB . 1 ATOM 378 H HB3 . TYR AAA 1 23 HB3 . TYR 23 -8.788 27.300 19.980 1.000 10.963 . 23 TYR AAA HB3 c 1 ATOM 379 H HB2 . TYR AAA 1 23 HB2 . TYR 23 -9.471 26.516 21.181 1.000 10.963 . 23 TYR AAA HB2 c 1 ATOM 380 C CG . TYR AAA 1 23 CG . TYR 23 -8.599 28.273 21.773 1.000 10.881 . 23 TYR AAA CG . 1 ATOM 381 C CD1 . TYR AAA 1 23 CD1 . TYR 23 -7.825 29.348 21.349 1.000 10.143 . 23 TYR AAA CD1 . 1 ATOM 382 H HD1 . TYR AAA 1 23 HD1 . TYR 23 -7.782 29.545 20.428 1.000 10.187 . 23 TYR AAA HD1 c 1 ATOM 383 C CE1 . TYR AAA 1 23 CE1 . TYR 23 -7.165 30.162 22.234 1.000 9.554 . 23 TYR AAA CE1 . 1 ATOM 384 H HE1 . TYR AAA 1 23 HE1 . TYR 23 -6.649 30.886 21.918 1.000 9.900 . 23 TYR AAA HE1 c 1 ATOM 385 C CZ . TYR AAA 1 23 CZ . TYR 23 -7.214 29.887 23.595 1.000 10.236 . 23 TYR AAA CZ . 1 ATOM 386 O OH . TYR AAA 1 23 OH . TYR 23 -6.524 30.731 24.432 1.000 9.671 . 23 TYR AAA OH . 1 ATOM 387 H HH . TYR AAA 1 23 HH . TYR 23 -6.822 31.534 24.353 0.000 9.680 . 23 TYR AAA HH c 1 ATOM 388 C CE2 . TYR AAA 1 23 CE2 . TYR 23 -7.976 28.819 24.042 1.000 10.577 . 23 TYR AAA CE2 . 1 ATOM 389 H HE2 . TYR AAA 1 23 HE2 . TYR 23 -8.021 28.629 24.965 1.000 10.512 . 23 TYR AAA HE2 c 1 ATOM 390 C CD2 . TYR AAA 1 23 CD2 . TYR 23 -8.647 28.009 23.137 1.000 10.750 . 23 TYR AAA CD2 . 1 ATOM 391 H HD2 . TYR AAA 1 23 HD2 . TYR 23 -9.159 27.284 23.453 1.000 10.691 . 23 TYR AAA HD2 c 1 ATOM 392 C C . TYR AAA 1 23 C . TYR 23 -11.276 27.285 19.210 1.000 11.058 . 23 TYR AAA C . 1 ATOM 393 O O . TYR AAA 1 23 O . TYR 23 -11.441 26.087 19.169 1.000 11.217 . 23 TYR AAA O . 1 ATOM 395 N N . SER AAA 1 24 N . SER 24 -11.598 28.059 18.196 1.000 10.935 . 24 SER AAA N . 1 ATOM 396 H H . SER AAA 1 24 H . SER 24 -11.510 28.966 18.198 1.000 11.051 . 24 SER AAA H c 1 ATOM 397 C CA . SER AAA 1 24 CA . SER 24 -12.145 27.539 16.928 1.000 11.288 . 24 SER AAA CA . 1 ATOM 398 H HA . SER AAA 1 24 HA . SER 24 -13.001 27.080 17.147 1.000 11.366 . 24 SER AAA HA c 1 ATOM 399 C CB . SER AAA 1 24 CB . SER 24 -12.468 28.677 15.977 1.000 12.139 . 24 SER AAA CB . 1 ATOM 400 H HB3 . SER AAA 1 24 HB3 . SER 24 -13.063 29.320 16.425 1.000 11.625 . 24 SER AAA HB3 c 1 ATOM 401 H HB2 . SER AAA 1 24 HB2 . SER 24 -12.940 28.321 15.190 1.000 11.626 . 24 SER AAA HB2 c 1 ATOM 402 O OG . SER AAA 1 24 OG . SER 24 -11.275 29.342 15.557 1.000 10.867 . 24 SER AAA OG . 1 ATOM 403 H HG . SER AAA 1 24 HG . SER 24 -11.494 29.975 15.022 0.000 10.750 . 24 SER AAA HG c 1 ATOM 404 C C . SER AAA 1 24 C . SER 24 -11.218 26.494 16.293 1.000 11.174 . 24 SER AAA C . 1 ATOM 405 O O . SER AAA 1 24 O . SER 24 -9.999 26.527 16.535 1.000 10.303 . 24 SER AAA O . 1 ATOM 407 N N . LEU AAA 1 25 N . LEU 25 -11.772 25.635 15.446 1.000 10.299 . 25 LEU AAA N . 1 ATOM 408 H H . LEU AAA 1 25 H . LEU 25 -12.659 25.653 15.237 1.000 10.509 . 25 LEU AAA H c 1 ATOM 409 C CA . LEU AAA 1 25 CA . LEU 25 -11.000 24.564 14.757 1.000 10.336 . 25 LEU AAA CA . 1 ATOM 410 H HA . LEU AAA 1 25 HA . LEU 25 -10.690 23.937 15.449 1.000 10.405 . 25 LEU AAA HA c 1 ATOM 411 C CB . LEU AAA 1 25 CB . LEU 25 -11.911 23.823 13.800 1.000 10.620 . 25 LEU AAA CB . 1 ATOM 412 H HB3 . LEU AAA 1 25 HB3 . LEU 25 -12.147 24.435 13.074 1.000 10.495 . 25 LEU AAA HB3 c 1 ATOM 413 H HB2 . LEU AAA 1 25 HB2 . LEU 25 -12.737 23.607 14.276 1.000 10.494 . 25 LEU AAA HB2 c 1 ATOM 414 C CG . LEU AAA 1 25 CG . LEU 25 -11.371 22.531 13.178 1.000 10.379 . 25 LEU AAA CG . 1 ATOM 415 H HG . LEU AAA 1 25 HG . LEU 25 -10.637 22.767 12.558 1.000 10.349 . 25 LEU AAA HG c 1 ATOM 416 C CD1 . LEU AAA 1 25 CD1 . LEU 25 -10.820 21.603 14.234 1.000 10.546 . 25 LEU AAA CD1 . 1 ATOM 417 H HD11 . LEU AAA 1 25 HD11 . LEU 25 -9.995 21.973 14.596 1.000 10.498 . 25 LEU AAA HD11 c 1 ATOM 418 H HD12 . LEU AAA 1 25 HD12 . LEU 25 -10.637 20.734 13.836 1.000 10.503 . 25 LEU AAA HD12 c 1 ATOM 419 H HD13 . LEU AAA 1 25 HD13 . LEU 25 -11.472 21.501 14.949 1.000 10.506 . 25 LEU AAA HD13 c 1 ATOM 420 C CD2 . LEU AAA 1 25 CD2 . LEU 25 -12.483 21.868 12.373 1.000 9.831 . 25 LEU AAA CD2 . 1 ATOM 421 H HD21 . LEU AAA 1 25 HD21 . LEU 25 -13.213 21.624 12.967 1.000 10.013 . 25 LEU AAA HD21 c 1 ATOM 422 H HD22 . LEU AAA 1 25 HD22 . LEU 25 -12.138 21.069 11.937 1.000 10.008 . 25 LEU AAA HD22 c 1 ATOM 423 H HD23 . LEU AAA 1 25 HD23 . LEU 25 -12.809 22.489 11.699 1.000 10.026 . 25 LEU AAA HD23 c 1 ATOM 424 C C . LEU AAA 1 25 C . LEU 25 -9.767 25.110 14.032 1.000 10.458 . 25 LEU AAA C . 1 ATOM 425 O O . LEU AAA 1 25 O . LEU 25 -8.726 24.432 14.045 1.000 9.804 . 25 LEU AAA O . 1 ATOM 427 N N . GLY AAA 1 26 N . GLY 26 -9.824 26.291 13.414 1.000 10.002 . 26 GLY AAA N . 1 ATOM 428 H H . GLY AAA 1 26 H . GLY 26 -10.568 26.816 13.422 1.000 10.094 . 26 GLY AAA H c 1 ATOM 429 C CA . GLY AAA 1 26 CA . GLY 26 -8.687 26.837 12.666 1.000 9.945 . 26 GLY AAA CA . 1 ATOM 430 H HA3 . GLY AAA 1 26 HA3 . GLY 26 -8.966 27.680 12.231 1.000 9.921 . 26 GLY AAA HA3 c 1 ATOM 431 H HA2 . GLY AAA 1 26 HA2 . GLY 26 -8.430 26.196 11.957 1.000 9.910 . 26 GLY AAA HA2 c 1 ATOM 432 C C . GLY AAA 1 26 C . GLY 26 -7.493 27.105 13.556 1.000 9.731 . 26 GLY AAA C . 1 ATOM 433 O O . GLY AAA 1 26 O . GLY 26 -6.352 27.005 13.108 1.000 9.785 . 26 GLY AAA O . 1 ATOM 435 N N . ASN AAA 1 27 N . ASN 27 -7.735 27.414 14.822 1.000 10.382 . 27 ASN AAA N . 1 ATOM 436 H H . ASN AAA 1 27 H . ASN 27 -8.576 27.501 15.160 1.000 10.184 . 27 ASN AAA H c 1 ATOM 437 C CA . ASN AAA 1 27 CA . ASN 27 -6.666 27.667 15.789 1.000 10.208 . 27 ASN AAA CA . 1 ATOM 438 H HA . ASN AAA 1 27 HA . ASN 27 -6.070 28.364 15.427 1.000 10.224 . 27 ASN AAA HA c 1 ATOM 439 C CB . ASN AAA 1 27 CB . ASN 27 -7.227 28.159 17.123 1.000 10.164 . 27 ASN AAA CB . 1 ATOM 440 H HB3 . ASN AAA 1 27 HB3 . ASN 27 -6.570 27.983 17.826 1.000 10.030 . 27 ASN AAA HB3 c 1 ATOM 441 H HB2 . ASN AAA 1 27 HB2 . ASN 27 -8.037 27.656 17.336 1.000 10.029 . 27 ASN AAA HB2 c 1 ATOM 442 C CG . ASN AAA 1 27 CG . ASN 27 -7.550 29.642 17.113 1.000 9.555 . 27 ASN AAA CG . 1 ATOM 443 O OD1 . ASN AAA 1 27 OD1 . ASN 27 -6.617 30.460 17.130 1.000 10.587 . 27 ASN AAA OD1 . 1 ATOM 444 N ND2 . ASN AAA 1 27 ND2 . ASN 27 -8.848 30.018 17.091 1.000 9.038 . 27 ASN AAA ND2 . 1 ATOM 445 H HD21 . ASN AAA 1 27 HD21 . ASN 27 -9.064 30.874 17.080 0.000 8.720 . 27 ASN AAA HD21 c 1 ATOM 446 H HD22 . ASN AAA 1 27 HD22 . ASN 27 -9.486 29.402 17.092 0.000 8.720 . 27 ASN AAA HD22 c 1 ATOM 447 C C . ASN AAA 1 27 C . ASN 27 -5.860 26.396 16.024 1.000 10.175 . 27 ASN AAA C . 1 ATOM 448 O O . ASN AAA 1 27 O . ASN 27 -4.631 26.494 16.087 1.000 9.937 . 27 ASN AAA O . 1 ATOM 450 N N . TRP AAA 1 28 N . TRP 28 -6.541 25.258 16.105 1.000 9.576 . 28 TRP AAA N . 1 ATOM 451 H H . TRP AAA 1 28 H . TRP 28 -7.447 25.215 16.023 1.000 9.793 . 28 TRP AAA H c 1 ATOM 452 C CA . TRP AAA 1 28 CA . TRP 28 -5.916 23.961 16.331 1.000 9.904 . 28 TRP AAA CA . 1 ATOM 453 H HA . TRP AAA 1 28 HA . TRP 28 -5.271 24.080 17.067 1.000 9.818 . 28 TRP AAA HA c 1 ATOM 454 C CB . TRP AAA 1 28 CB . TRP 28 -6.943 22.911 16.805 1.000 9.454 . 28 TRP AAA CB . 1 ATOM 455 H HB3 . TRP AAA 1 28 HB3 . TRP 28 -6.484 22.052 16.905 1.000 9.689 . 28 TRP AAA HB3 c 1 ATOM 456 H HB2 . TRP AAA 1 28 HB2 . TRP 28 -7.626 22.810 16.111 1.000 9.686 . 28 TRP AAA HB2 c 1 ATOM 457 C CG . TRP AAA 1 28 CG . TRP 28 -7.601 23.271 18.097 1.000 9.997 . 28 TRP AAA CG . 1 ATOM 458 C CD1 . TRP AAA 1 28 CD1 . TRP 28 -8.838 23.849 18.290 1.000 9.947 . 28 TRP AAA CD1 . 1 ATOM 459 H HD1 . TRP AAA 1 28 HD1 . TRP 28 -9.464 24.040 17.608 1.000 10.249 . 28 TRP AAA HD1 c 1 ATOM 460 N NE1 . TRP AAA 1 28 NE1 . TRP 28 -9.047 24.089 19.628 1.000 11.013 . 28 TRP AAA NE1 . 1 ATOM 461 H HE1 . TRP AAA 1 28 HE1 . TRP 28 -9.768 24.439 19.979 1.000 10.600 . 28 TRP AAA HE1 c 1 ATOM 462 C CE2 . TRP AAA 1 28 CE2 . TRP 28 -7.936 23.705 20.310 1.000 10.378 . 28 TRP AAA CE2 . 1 ATOM 463 C CD2 . TRP AAA 1 28 CD2 . TRP 28 -7.011 23.167 19.390 1.000 10.136 . 28 TRP AAA CD2 . 1 ATOM 464 C CE3 . TRP AAA 1 28 CE3 . TRP 28 -5.754 22.738 19.833 1.000 10.126 . 28 TRP AAA CE3 . 1 ATOM 465 H HE3 . TRP AAA 1 28 HE3 . TRP 28 -5.131 22.381 19.221 1.000 10.368 . 28 TRP AAA HE3 c 1 ATOM 466 C CZ3 . TRP AAA 1 28 CZ3 . TRP 28 -5.482 22.736 21.197 1.000 11.057 . 28 TRP AAA CZ3 . 1 ATOM 467 H HZ3 . TRP AAA 1 28 HZ3 . TRP 28 -4.645 22.437 21.516 1.000 10.905 . 28 TRP AAA HZ3 c 1 ATOM 468 C CH2 . TRP AAA 1 28 CH2 . TRP 28 -6.434 23.255 22.091 1.000 11.678 . 28 TRP AAA CH2 . 1 ATOM 469 H HH2 . TRP AAA 1 28 HH2 . TRP 28 -6.229 23.279 23.008 1.000 11.225 . 28 TRP AAA HH2 c 1 ATOM 470 C CZ2 . TRP AAA 1 28 CZ2 . TRP 28 -7.641 23.765 21.672 1.000 10.886 . 28 TRP AAA CZ2 . 1 ATOM 471 H HZ2 . TRP AAA 1 28 HZ2 . TRP 28 -8.281 24.071 22.291 1.000 10.881 . 28 TRP AAA HZ2 c 1 ATOM 472 C C . TRP AAA 1 28 C . TRP 28 -5.142 23.486 15.111 1.000 10.248 . 28 TRP AAA C . 1 ATOM 473 O O . TRP AAA 1 28 O . TRP 28 -4.097 22.871 15.290 1.000 9.547 . 28 TRP AAA O . 1 ATOM 475 N N . VAL AAA 1 29 N . VAL 29 -5.718 23.703 13.935 1.000 8.907 . 29 VAL AAA N . 1 ATOM 476 H H . VAL AAA 1 29 H . VAL 29 -6.510 24.140 13.829 1.000 9.272 . 29 VAL AAA H c 1 ATOM 477 C CA . VAL AAA 1 29 CA . VAL 29 -5.098 23.241 12.684 1.000 9.184 . 29 VAL AAA CA . 1 ATOM 478 H HA . VAL AAA 1 29 HA . VAL 29 -4.839 22.308 12.797 1.000 9.066 . 29 VAL AAA HA c 1 ATOM 479 C CB . VAL AAA 1 29 CB . VAL 29 -6.050 23.337 11.485 1.000 8.985 . 29 VAL AAA CB . 1 ATOM 480 H HB . VAL AAA 1 29 HB . VAL 29 -6.391 24.263 11.430 1.000 9.001 . 29 VAL AAA HB c 1 ATOM 481 C CG1 . VAL AAA 1 29 CG1 . VAL 29 -5.285 23.017 10.206 1.000 9.082 . 29 VAL AAA CG1 . 1 ATOM 482 H HG11 . VAL AAA 1 29 HG11 . VAL 29 -4.642 23.724 10.022 1.000 9.052 . 29 VAL AAA HG11 c 1 ATOM 483 H HG12 . VAL AAA 1 29 HG12 . VAL 29 -5.911 22.949 9.463 1.000 9.052 . 29 VAL AAA HG12 c 1 ATOM 484 H HG13 . VAL AAA 1 29 HG13 . VAL 29 -4.815 22.170 10.311 1.000 9.052 . 29 VAL AAA HG13 c 1 ATOM 485 C CG2 . VAL AAA 1 29 CG2 . VAL 29 -7.222 22.394 11.665 1.000 8.778 . 29 VAL AAA CG2 . 1 ATOM 486 H HG21 . VAL AAA 1 29 HG21 . VAL 29 -6.896 21.481 11.736 1.000 8.842 . 29 VAL AAA HG21 c 1 ATOM 487 H HG22 . VAL AAA 1 29 HG22 . VAL 29 -7.816 22.466 10.898 1.000 8.842 . 29 VAL AAA HG22 c 1 ATOM 488 H HG23 . VAL AAA 1 29 HG23 . VAL 29 -7.708 22.628 12.473 1.000 8.844 . 29 VAL AAA HG23 c 1 ATOM 489 C C . VAL AAA 1 29 C . VAL 29 -3.822 24.083 12.515 1.000 9.025 . 29 VAL AAA C . 1 ATOM 490 O O . VAL AAA 1 29 O . VAL 29 -2.786 23.556 12.096 1.000 8.873 . 29 VAL AAA O . 1 ATOM 492 N N . CYS AAA 1 30 N . CYS 30 -3.907 25.383 12.736 1.000 9.323 . 30 CYS AAA N . 1 ATOM 493 H H . CYS AAA 1 30 H . CYS 30 -4.664 25.818 12.999 1.000 9.272 . 30 CYS AAA H c 1 ATOM 494 C CA . CYS AAA 1 30 CA . CYS 30 -2.744 26.280 12.557 1.000 9.402 . 30 CYS AAA CA . 1 ATOM 495 H HA . CYS AAA 1 30 HA . CYS 30 -2.410 26.191 11.635 1.000 9.499 . 30 CYS AAA HA c 1 ATOM 496 C CB . CYS AAA 1 30 CB . CYS 30 -3.168 27.739 12.812 1.000 10.188 . 30 CYS AAA CB . 1 ATOM 497 H HB3 . CYS AAA 1 30 HB3 . CYS 30 -3.512 27.808 13.726 1.000 10.145 . 30 CYS AAA HB3 c 1 ATOM 498 H HB2 . CYS AAA 1 30 HB2 . CYS 30 -3.901 27.962 12.205 1.000 10.149 . 30 CYS AAA HB2 c 1 ATOM 499 S SG . CYS AAA 1 30 SG . CYS 30 -1.859 28.996 12.605 1.000 10.829 . 30 CYS AAA SG . 1 ATOM 500 C C . CYS AAA 1 30 C . CYS 30 -1.667 25.864 13.530 1.000 9.243 . 30 CYS AAA C . 1 ATOM 501 O O . CYS AAA 1 30 O . CYS 30 -0.512 25.746 13.144 1.000 9.018 . 30 CYS AAA O . 1 ATOM 503 N N . ALA AAA 1 31 N . ALA 31 -2.013 25.667 14.789 1.000 9.358 . 31 ALA AAA N . 1 ATOM 504 H H . ALA AAA 1 31 H . ALA 31 -2.853 25.782 15.122 1.000 9.364 . 31 ALA AAA H c 1 ATOM 505 C CA . ALA AAA 1 31 CA . ALA 31 -1.032 25.235 15.803 1.000 9.493 . 31 ALA AAA CA . 1 ATOM 506 H HA . ALA AAA 1 31 HA . ALA 31 -0.347 25.938 15.900 1.000 9.537 . 31 ALA AAA HA c 1 ATOM 507 C CB . ALA AAA 1 31 CB . ALA 31 -1.716 25.022 17.136 1.000 9.828 . 31 ALA AAA CB . 1 ATOM 508 H HB3 . ALA AAA 1 31 HB3 . ALA 31 -2.400 24.337 17.045 1.000 9.724 . 31 ALA AAA HB3 c 1 ATOM 509 H HB2 . ALA AAA 1 31 HB2 . ALA 31 -2.128 25.853 17.427 1.000 9.724 . 31 ALA AAA HB2 c 1 ATOM 510 H HB1 . ALA AAA 1 31 HB1 . ALA 31 -1.061 24.739 17.796 1.000 9.724 . 31 ALA AAA HB1 c 1 ATOM 511 C C . ALA AAA 1 31 C . ALA 31 -0.351 23.947 15.349 1.000 9.524 . 31 ALA AAA C . 1 ATOM 512 O O . ALA AAA 1 31 O . ALA 31 0.857 23.851 15.379 1.000 9.891 . 31 ALA AAA O . 1 ATOM 514 N N . ALA AAA 1 32 N . ALA 32 -1.115 22.968 14.902 1.000 9.212 . 32 ALA AAA N . 1 ATOM 515 H H . ALA AAA 1 32 H . ALA 32 -2.023 23.017 14.841 1.000 9.347 . 32 ALA AAA H c 1 ATOM 516 C CA . ALA AAA 1 32 CA . ALA 32 -0.572 21.658 14.449 1.000 9.472 . 32 ALA AAA CA . 1 ATOM 517 H HA . ALA AAA 1 32 HA . ALA 32 -0.056 21.259 15.186 1.000 9.431 . 32 ALA AAA HA c 1 ATOM 518 C CB . ALA AAA 1 32 CB . ALA 32 -1.736 20.748 14.107 1.000 9.686 . 32 ALA AAA CB . 1 ATOM 519 H HB3 . ALA AAA 1 32 HB3 . ALA 32 -2.262 21.147 13.393 1.000 9.620 . 32 ALA AAA HB3 c 1 ATOM 520 H HB2 . ALA AAA 1 32 HB2 . ALA 32 -2.296 20.628 14.892 1.000 9.620 . 32 ALA AAA HB2 c 1 ATOM 521 H HB1 . ALA AAA 1 32 HB1 . ALA 32 -1.399 19.884 13.816 1.000 9.620 . 32 ALA AAA HB1 c 1 ATOM 522 C C . ALA AAA 1 32 C . ALA 32 0.341 21.837 13.259 1.000 9.297 . 32 ALA AAA C . 1 ATOM 523 O O . ALA AAA 1 32 O . ALA 32 1.413 21.193 13.185 1.000 9.606 . 32 ALA AAA O . 1 ATOM 525 N N . LYS AAA 1 33 N . LYS 33 -0.019 22.740 12.349 1.000 10.349 . 33 LYS AAA N . 1 ATOM 526 H H . LYS AAA 1 33 H . LYS 33 -0.790 23.224 12.391 1.000 10.047 . 33 LYS AAA H c 1 ATOM 527 C CA . LYS AAA 1 33 CA . LYS 33 0.834 23.008 11.171 1.000 10.146 . 33 LYS AAA CA . 1 ATOM 528 H HA . LYS AAA 1 33 HA . LYS 33 0.925 22.176 10.651 1.000 10.401 . 33 LYS AAA HA c 1 ATOM 529 C CB . LYS AAA 1 33 CB . LYS 33 0.214 24.078 10.292 1.000 11.223 . 33 LYS AAA CB . 1 ATOM 530 H HB3 . LYS AAA 1 33 HB3 . LYS 33 -0.036 24.839 10.854 1.000 11.488 . 33 LYS AAA HB3 c 1 ATOM 531 H HB2 . LYS AAA 1 33 HB2 . LYS 33 -0.604 23.717 9.891 1.000 11.496 . 33 LYS AAA HB2 c 1 ATOM 532 C CG . LYS AAA 1 33 CG . LYS 33 1.121 24.573 9.182 1.000 13.746 . 33 LYS AAA CG . 1 ATOM 533 H HG3 . LYS AAA 1 33 HG3 . LYS 33 1.960 24.880 9.584 1.000 13.487 . 33 LYS AAA HG3 c 1 ATOM 534 H HG2 . LYS AAA 1 33 HG2 . LYS 33 0.704 25.348 8.767 1.000 13.513 . 33 LYS AAA HG2 c 1 ATOM 535 C CD . LYS AAA 1 33 CD . LYS 33 1.453 23.566 8.091 1.000 15.549 . 33 LYS AAA CD . 1 ATOM 536 H HD3 . LYS AAA 1 33 HD3 . LYS 33 0.619 23.227 7.702 1.000 15.526 . 33 LYS AAA HD3 c 1 ATOM 537 H HD2 . LYS AAA 1 33 HD2 . LYS 33 1.932 22.808 8.489 1.000 15.526 . 33 LYS AAA HD2 c 1 ATOM 538 C CE . LYS AAA 1 33 CE . LYS 33 2.309 24.163 6.981 1.000 17.479 . 33 LYS AAA CE . 1 ATOM 539 H HE3 . LYS AAA 1 33 HE3 . LYS 33 3.093 24.594 7.372 1.000 17.245 . 33 LYS AAA HE3 c 1 ATOM 540 H HE2 . LYS AAA 1 33 HE2 . LYS 33 1.797 24.845 6.507 1.000 17.228 . 33 LYS AAA HE2 c 1 ATOM 541 N NZ . LYS AAA 1 33 NZ . LYS 33 2.765 23.128 5.997 1.000 18.461 . 33 LYS AAA NZ . 1 ATOM 542 H HZ1 . LYS AAA 1 33 HZ1 . LYS 33 3.263 22.500 6.420 1.000 18.149 . 33 LYS AAA HZ1 c 1 ATOM 543 H HZ2 . LYS AAA 1 33 HZ2 . LYS 33 3.267 23.519 5.350 1.000 18.152 . 33 LYS AAA HZ2 c 1 ATOM 544 H HZ3 . LYS AAA 1 33 HZ3 . LYS 33 2.046 22.730 5.614 1.000 18.152 . 33 LYS AAA HZ3 c 1 ATOM 545 C C . LYS AAA 1 33 C . LYS 33 2.213 23.476 11.602 1.000 10.260 . 33 LYS AAA C . 1 ATOM 546 O O . LYS AAA 1 33 O . LYS 33 3.212 22.873 11.201 1.000 9.059 . 33 LYS AAA O . 1 ATOM 548 N N . PHE AAA 1 34 N . PHE 34 2.289 24.467 12.464 1.000 10.902 . 34 PHE AAA N . 1 ATOM 549 H H . PHE AAA 1 34 H . PHE 34 1.581 24.869 12.874 1.000 10.506 . 34 PHE AAA H c 1 ATOM 550 C CA . PHE AAA 1 34 CA . PHE 34 3.601 25.015 12.846 1.000 9.890 . 34 PHE AAA CA . 1 ATOM 551 H HA . PHE AAA 1 34 HA . PHE 34 4.182 24.968 12.048 1.000 10.397 . 34 PHE AAA HA c 1 ATOM 552 C CB . PHE AAA 1 34 CB . PHE 34 3.460 26.487 13.220 1.000 11.025 . 34 PHE AAA CB . 1 ATOM 553 H HB3 . PHE AAA 1 34 HB3 . PHE 34 4.326 26.824 13.529 1.000 10.745 . 34 PHE AAA HB3 c 1 ATOM 554 H HB2 . PHE AAA 1 34 HB2 . PHE 34 2.814 26.572 13.952 1.000 10.749 . 34 PHE AAA HB2 c 1 ATOM 555 C CG . PHE AAA 1 34 CG . PHE 34 3.000 27.289 12.046 1.000 11.017 . 34 PHE AAA CG . 1 ATOM 556 C CD1 . PHE AAA 1 34 CD1 . PHE 34 3.648 27.172 10.817 1.000 11.634 . 34 PHE AAA CD1 . 1 ATOM 557 H HD1 . PHE AAA 1 34 HD1 . PHE 34 4.387 26.593 10.724 1.000 11.565 . 34 PHE AAA HD1 c 1 ATOM 558 C CE1 . PHE AAA 1 34 CE1 . PHE 34 3.227 27.935 9.742 1.000 11.898 . 34 PHE AAA CE1 . 1 ATOM 559 H HE1 . PHE AAA 1 34 HE1 . PHE 34 3.661 27.843 8.908 1.000 11.777 . 34 PHE AAA HE1 c 1 ATOM 560 C CZ . PHE AAA 1 34 CZ . PHE 34 2.140 28.772 9.852 1.000 11.660 . 34 PHE AAA CZ . 1 ATOM 561 H HZ . PHE AAA 1 34 HZ . PHE 34 1.861 29.289 9.113 1.000 11.869 . 34 PHE AAA HZ c 1 ATOM 562 C CD2 . PHE AAA 1 34 CD2 . PHE 34 1.943 28.158 12.167 1.000 12.201 . 34 PHE AAA CD2 . 1 ATOM 563 H HD2 . PHE AAA 1 34 HD2 . PHE 34 1.497 28.227 12.995 1.000 11.933 . 34 PHE AAA HD2 c 1 ATOM 564 C CE2 . PHE AAA 1 34 CE2 . PHE 34 1.493 28.902 11.087 1.000 12.410 . 34 PHE AAA CE2 . 1 ATOM 565 H HE2 . PHE AAA 1 34 HE2 . PHE 34 0.760 29.488 11.184 1.000 12.130 . 34 PHE AAA HE2 c 1 ATOM 566 C C . PHE AAA 1 34 C . PHE 34 4.324 24.239 13.959 1.000 10.448 . 34 PHE AAA C . 1 ATOM 567 O O . PHE AAA 1 34 O . PHE 34 5.542 24.359 14.104 1.000 10.569 . 34 PHE AAA O . 1 ATOM 569 N N . GLU AAA 1 35 N . GLU 35 3.623 23.391 14.699 1.000 10.316 . 35 GLU AAA N . 1 ATOM 570 H H . GLU AAA 1 35 H . GLU 35 2.731 23.249 14.589 1.000 10.423 . 35 GLU AAA H c 1 ATOM 571 C CA . GLU AAA 1 35 CA . GLU 35 4.239 22.610 15.767 1.000 10.630 . 35 GLU AAA CA . 1 ATOM 572 H HA . GLU AAA 1 35 HA . GLU 35 4.950 23.148 16.183 1.000 10.566 . 35 GLU AAA HA c 1 ATOM 573 C CB . GLU AAA 1 35 CB . GLU 35 3.212 22.220 16.836 1.000 10.597 . 35 GLU AAA CB . 1 ATOM 574 H HB3 . GLU AAA 1 35 HB3 . GLU 35 3.594 21.512 17.395 1.000 10.648 . 35 GLU AAA HB3 c 1 ATOM 575 H HB2 . GLU AAA 1 35 HB2 . GLU 35 2.419 21.856 16.391 1.000 10.648 . 35 GLU AAA HB2 c 1 ATOM 576 C CG . GLU AAA 1 35 CG . GLU 35 2.792 23.376 17.723 1.000 10.783 . 35 GLU AAA CG . 1 ATOM 577 H HG3 . GLU AAA 1 35 HG3 . GLU 35 2.024 23.096 18.266 1.000 10.824 . 35 GLU AAA HG3 c 1 ATOM 578 H HG2 . GLU AAA 1 35 HG2 . GLU 35 2.497 24.119 17.157 1.000 10.822 . 35 GLU AAA HG2 c 1 ATOM 579 C CD . GLU AAA 1 35 CD . GLU 35 3.883 23.897 18.664 1.000 11.152 . 35 GLU AAA CD . 1 ATOM 580 O OE1 . GLU AAA 1 35 OE1 . GLU 35 5.003 23.321 18.675 1.000 10.664 . 35 GLU AAA OE1 . 1 ATOM 581 O OE2 . GLU AAA 1 35 OE2 . GLU 35 3.625 24.893 19.385 1.000 11.681 . 35 GLU AAA OE2 . 1 ATOM 582 C C . GLU AAA 1 35 C . GLU 35 4.863 21.358 15.145 1.000 10.641 . 35 GLU AAA C . 1 ATOM 583 O O . GLU AAA 1 35 O . GLU 35 5.969 20.934 15.527 1.000 10.633 . 35 GLU AAA O . 1 ATOM 585 N N . SER AAA 1 36 N . SER 36 4.159 20.709 14.221 1.000 10.808 . 36 SER AAA N . 1 ATOM 586 H H . SER AAA 1 36 H . SER 36 3.371 21.015 13.882 1.000 10.800 . 36 SER AAA H c 1 ATOM 587 C CA . SER AAA 1 36 CA . SER 36 4.538 19.370 13.674 1.000 10.920 . 36 SER AAA CA . 1 ATOM 588 H HA . SER AAA 1 36 HA . SER 36 5.479 19.191 13.942 1.000 10.940 . 36 SER AAA HA c 1 ATOM 589 C CB . SER AAA 1 36 CB . SER 36 3.681 18.314 14.288 1.000 10.791 . 36 SER AAA CB . 1 ATOM 590 H HB3 . SER AAA 1 36 HB3 . SER 36 3.672 18.427 15.266 1.000 10.385 . 36 SER AAA HB3 c 1 ATOM 591 H HB2 . SER AAA 1 36 HB2 . SER 36 4.054 17.428 14.084 1.000 10.388 . 36 SER AAA HB2 c 1 ATOM 592 O OG . SER AAA 1 36 OG . SER 36 2.356 18.403 13.786 1.000 9.059 . 36 SER AAA OG . 1 ATOM 593 H HG . SER AAA 1 36 HG . SER 36 1.893 17.795 14.152 0.000 8.880 . 36 SER AAA HG c 1 ATOM 594 C C . SER AAA 1 36 C . SER 36 4.460 19.224 12.155 1.000 11.279 . 36 SER AAA C . 1 ATOM 595 O O . SER AAA 1 36 O . SER 36 4.857 18.168 11.641 1.000 11.579 . 36 SER AAA O . 1 ATOM 597 N N . ASN AAA 1 37 N . ASN 37 3.969 20.240 11.456 1.000 11.921 . 37 ASN AAA N . 1 ATOM 598 H H . ASN AAA 1 37 H . ASN 37 3.753 21.043 11.822 1.000 11.851 . 37 ASN AAA H c 1 ATOM 599 C CA . ASN AAA 1 37 CA . ASN 37 3.749 20.163 10.005 1.000 12.330 . 37 ASN AAA CA . 1 ATOM 600 H HA . ASN AAA 1 37 HA . ASN 37 3.286 20.984 9.724 1.000 12.277 . 37 ASN AAA HA c 1 ATOM 601 C CB . ASN AAA 1 37 CB . ASN 37 5.058 20.070 9.207 1.000 13.700 . 37 ASN AAA CB . 1 ATOM 602 H HB3 . ASN AAA 1 37 HB3 . ASN 37 5.399 19.154 9.257 1.000 13.730 . 37 ASN AAA HB3 c 1 ATOM 603 H HB2 . ASN AAA 1 37 HB2 . ASN 37 5.721 20.664 9.615 1.000 13.742 . 37 ASN AAA HB2 c 1 ATOM 604 C CG . ASN AAA 1 37 CG . ASN 37 4.877 20.457 7.739 1.000 15.431 . 37 ASN AAA CG . 1 ATOM 605 O OD1 . ASN AAA 1 37 OD1 . ASN 37 3.892 21.137 7.421 1.000 17.262 . 37 ASN AAA OD1 . 1 ATOM 606 N ND2 . ASN AAA 1 37 ND2 . ASN 37 5.815 20.049 6.866 1.000 16.608 . 37 ASN AAA ND2 . 1 ATOM 607 H HD21 . ASN AAA 1 37 HD21 . ASN 37 5.737 20.253 6.010 0.000 16.590 . 37 ASN AAA HD21 c 1 ATOM 608 H HD22 . ASN AAA 1 37 HD22 . ASN 37 6.501 19.573 7.149 0.000 16.590 . 37 ASN AAA HD22 c 1 ATOM 609 C C . ASN AAA 1 37 C . ASN 37 2.818 18.971 9.741 1.000 11.188 . 37 ASN AAA C . 1 ATOM 610 O O . ASN AAA 1 37 O . ASN 37 3.009 18.248 8.737 1.000 11.295 . 37 ASN AAA O . 1 ATOM 612 N N . PHE AAA 1 38 N . PHE 38 1.823 18.772 10.632 1.000 11.774 . 38 PHE AAA N . 1 ATOM 613 H H . PHE AAA 1 38 H . PHE 38 1.709 19.300 11.365 1.000 11.655 . 38 PHE AAA H c 1 ATOM 614 C CA . PHE AAA 1 38 CA . PHE 38 0.787 17.720 10.548 1.000 11.860 . 38 PHE AAA CA . 1 ATOM 615 H HA . PHE AAA 1 38 HA . PHE 38 0.165 17.838 11.308 1.000 11.847 . 38 PHE AAA HA c 1 ATOM 616 C CB . PHE AAA 1 38 CB . PHE 38 -0.010 17.862 9.241 1.000 11.553 . 38 PHE AAA CB . 1 ATOM 617 H HB3 . PHE AAA 1 38 HB3 . PHE 38 -0.672 17.140 9.207 1.000 11.682 . 38 PHE AAA HB3 c 1 ATOM 618 H HB2 . PHE AAA 1 38 HB2 . PHE 38 0.604 17.733 8.489 1.000 11.682 . 38 PHE AAA HB2 c 1 ATOM 619 C CG . PHE AAA 1 38 CG . PHE 38 -0.720 19.158 9.066 1.000 11.791 . 38 PHE AAA CG . 1 ATOM 620 C CD1 . PHE AAA 1 38 CD1 . PHE 38 -1.207 19.872 10.156 1.000 12.146 . 38 PHE AAA CD1 . 1 ATOM 621 H HD1 . PHE AAA 1 38 HD1 . PHE 38 -1.098 19.545 11.034 1.000 12.016 . 38 PHE AAA HD1 c 1 ATOM 622 C CE1 . PHE AAA 1 38 CE1 . PHE 38 -1.885 21.071 9.926 1.000 11.831 . 38 PHE AAA CE1 . 1 ATOM 623 H HE1 . PHE AAA 1 38 HE1 . PHE 38 -2.225 21.564 10.653 1.000 12.125 . 38 PHE AAA HE1 c 1 ATOM 624 C CZ . PHE AAA 1 38 CZ . PHE 38 -2.063 21.533 8.638 1.000 12.793 . 38 PHE AAA CZ . 1 ATOM 625 H HZ . PHE AAA 1 38 HZ . PHE 38 -2.511 22.352 8.494 1.000 12.484 . 38 PHE AAA HZ c 1 ATOM 626 C CD2 . PHE AAA 1 38 CD2 . PHE 38 -0.896 19.654 7.782 1.000 12.479 . 38 PHE AAA CD2 . 1 ATOM 627 H HD2 . PHE AAA 1 38 HD2 . PHE 38 -0.573 19.161 7.045 1.000 12.328 . 38 PHE AAA HD2 c 1 ATOM 628 C CE2 . PHE AAA 1 38 CE2 . PHE 38 -1.578 20.834 7.569 1.000 12.605 . 38 PHE AAA CE2 . 1 ATOM 629 H HE2 . PHE AAA 1 38 HE2 . PHE 38 -1.693 21.163 6.692 1.000 12.571 . 38 PHE AAA HE2 c 1 ATOM 630 C C . PHE AAA 1 38 C . PHE 38 1.382 16.289 10.641 1.000 12.186 . 38 PHE AAA C . 1 ATOM 631 O O . PHE AAA 1 38 O . PHE 38 0.693 15.343 10.256 1.000 11.614 . 38 PHE AAA O . 1 ATOM 633 N N . ASN AAA 1 39 N . ASN 39 2.594 16.142 11.172 1.000 11.885 . 39 ASN AAA N . 1 ATOM 634 H H . ASN AAA 1 39 H . ASN 39 3.073 16.846 11.490 1.000 12.037 . 39 ASN AAA H c 1 ATOM 635 C CA . ASN AAA 1 39 CA . ASN 39 3.288 14.845 11.338 1.000 12.255 . 39 ASN AAA CA . 1 ATOM 636 H HA . ASN AAA 1 39 HA . ASN 39 2.896 14.203 10.701 1.000 12.153 . 39 ASN AAA HA c 1 ATOM 637 C CB . ASN AAA 1 39 CB . ASN 39 4.766 15.022 10.965 1.000 11.907 . 39 ASN AAA CB . 1 ATOM 638 H HB3 . ASN AAA 1 39 HB3 . ASN 39 5.206 15.569 11.647 1.000 12.092 . 39 ASN AAA HB3 c 1 ATOM 639 H HB2 . ASN AAA 1 39 HB2 . ASN 39 4.826 15.493 10.109 1.000 12.087 . 39 ASN AAA HB2 c 1 ATOM 640 C CG . ASN AAA 1 39 CG . ASN 39 5.492 13.677 10.853 1.000 12.325 . 39 ASN AAA CG . 1 ATOM 641 O OD1 . ASN AAA 1 39 OD1 . ASN 39 4.926 12.618 11.168 1.000 11.637 . 39 ASN AAA OD1 . 1 ATOM 642 N ND2 . ASN AAA 1 39 ND2 . ASN 39 6.757 13.744 10.411 1.000 14.045 . 39 ASN AAA ND2 . 1 ATOM 643 H HD21 . ASN AAA 1 39 HD21 . ASN 39 7.228 12.997 10.318 0.000 13.920 . 39 ASN AAA HD21 c 1 ATOM 644 H HD22 . ASN AAA 1 39 HD22 . ASN 39 7.112 14.518 10.191 0.000 13.920 . 39 ASN AAA HD22 c 1 ATOM 645 C C . ASN AAA 1 39 C . ASN 39 3.099 14.295 12.762 1.000 12.458 . 39 ASN AAA C . 1 ATOM 646 O O . ASN AAA 1 39 O . ASN 39 3.698 14.834 13.695 1.000 11.990 . 39 ASN AAA O . 1 ATOM 648 N N . THR AAA 1 40 N . THR 40 2.367 13.208 12.929 1.000 12.095 . 40 THR AAA N . 1 ATOM 649 H H . THR AAA 1 40 H . THR 40 1.966 12.749 12.253 1.000 12.059 . 40 THR AAA H c 1 ATOM 650 C CA . THR AAA 1 40 CA . THR 40 2.173 12.589 14.276 1.000 11.595 . 40 THR AAA CA . 1 ATOM 651 H HA . THR AAA 1 40 HA . THR 40 1.804 13.277 14.873 1.000 11.706 . 40 THR AAA HA c 1 ATOM 652 C CB . THR AAA 1 40 CB . THR 40 1.198 11.406 14.237 1.000 11.728 . 40 THR AAA CB . 1 ATOM 653 H HB . THR AAA 1 40 HB . THR 40 1.045 11.123 15.169 1.000 11.602 . 40 THR AAA HB c 1 ATOM 654 O OG1 . THR AAA 1 40 OG1 . THR 40 1.732 10.300 13.520 1.000 10.617 . 40 THR AAA OG1 . 1 ATOM 655 H HG1 . THR AAA 1 40 HG1 . THR 40 1.167 9.661 13.520 0.000 10.460 . 40 THR AAA HG1 c 1 ATOM 656 C CG2 . THR AAA 1 40 CG2 . THR 40 -0.137 11.818 13.646 1.000 12.355 . 40 THR AAA CG2 . 1 ATOM 657 H HG21 . THR AAA 1 40 HG21 . THR 40 -0.541 12.506 14.202 1.000 12.164 . 40 THR AAA HG21 c 1 ATOM 658 H HG22 . THR AAA 1 40 HG22 . THR 40 -0.727 11.044 13.613 1.000 12.164 . 40 THR AAA HG22 c 1 ATOM 659 H HG23 . THR AAA 1 40 HG23 . THR 40 -0.008 12.163 12.746 1.000 12.163 . 40 THR AAA HG23 c 1 ATOM 660 C C . THR AAA 1 40 C . THR 40 3.495 12.106 14.864 1.000 11.524 . 40 THR AAA C . 1 ATOM 661 O O . THR AAA 1 40 O . THR 40 3.581 11.963 16.081 1.000 12.616 . 40 THR AAA O . 1 ATOM 663 N N . GLN AAA 1 41 N . GLN 41 4.483 11.827 14.048 1.000 11.725 . 41 GLN AAA N . 1 ATOM 664 H H . GLN AAA 1 41 H . GLN 41 4.447 11.931 13.145 1.000 11.732 . 41 GLN AAA H c 1 ATOM 665 C CA . GLN AAA 1 41 CA . GLN 41 5.767 11.272 14.570 1.000 11.947 . 41 GLN AAA CA . 1 ATOM 666 H HA . GLN AAA 1 41 HA . GLN 41 5.558 10.786 15.401 1.000 12.109 . 41 GLN AAA HA c 1 ATOM 667 C CB . GLN AAA 1 41 CB . GLN 41 6.353 10.266 13.596 1.000 12.141 . 41 GLN AAA CB . 1 ATOM 668 H HB3 . GLN AAA 1 41 HB3 . GLN 41 7.175 9.905 13.987 1.000 12.458 . 41 GLN AAA HB3 c 1 ATOM 669 H HB2 . GLN AAA 1 41 HB2 . GLN 41 6.601 10.743 12.776 1.000 12.452 . 41 GLN AAA HB2 c 1 ATOM 670 C CG . GLN AAA 1 41 CG . GLN 41 5.440 9.110 13.229 1.000 13.728 . 41 GLN AAA CG . 1 ATOM 671 H HG3 . GLN AAA 1 41 HG3 . GLN 41 4.758 9.416 12.593 1.000 13.398 . 41 GLN AAA HG3 c 1 ATOM 672 H HG2 . GLN AAA 1 41 HG2 . GLN 41 4.985 8.780 14.033 1.000 13.400 . 41 GLN AAA HG2 c 1 ATOM 673 C CD . GLN AAA 1 41 CD . GLN 41 6.256 7.981 12.600 1.000 14.011 . 41 GLN AAA CD . 1 ATOM 674 O OE1 . GLN AAA 1 41 OE1 . GLN 41 7.011 7.314 13.325 1.000 15.277 . 41 GLN AAA OE1 . 1 ATOM 675 N NE2 . GLN AAA 1 41 NE2 . GLN 41 6.076 7.750 11.287 1.000 13.132 . 41 GLN AAA NE2 . 1 ATOM 676 H HE21 . GLN AAA 1 41 HE21 . GLN 41 6.529 7.103 10.884 0.000 13.000 . 41 GLN AAA HE21 c 1 ATOM 677 H HE22 . GLN AAA 1 41 HE22 . GLN 41 5.513 8.247 10.820 0.000 13.000 . 41 GLN AAA HE22 c 1 ATOM 678 C C . GLN AAA 1 41 C . GLN 41 6.789 12.360 14.924 1.000 12.850 . 41 GLN AAA C . 1 ATOM 679 O O . GLN AAA 1 41 O . GLN 41 7.882 12.000 15.290 1.000 12.683 . 41 GLN AAA O . 1 ATOM 681 N N . ALA AAA 1 42 N . ALA 42 6.452 13.645 14.818 1.000 12.430 . 42 ALA AAA N . 1 ATOM 682 H H . ALA AAA 1 42 H . ALA 42 5.637 13.955 14.556 1.000 12.394 . 42 ALA AAA H c 1 ATOM 683 C CA . ALA AAA 1 42 CA . ALA 42 7.421 14.715 15.129 1.000 11.906 . 42 ALA AAA CA . 1 ATOM 684 H HA . ALA AAA 1 42 HA . ALA 42 8.216 14.596 14.559 1.000 12.122 . 42 ALA AAA HA c 1 ATOM 685 C CB . ALA AAA 1 42 CB . ALA 42 6.778 16.042 14.807 1.000 11.989 . 42 ALA AAA CB . 1 ATOM 686 H HB3 . ALA AAA 1 42 HB3 . ALA 42 5.981 16.158 15.350 1.000 11.965 . 42 ALA AAA HB3 c 1 ATOM 687 H HB2 . ALA AAA 1 42 HB2 . ALA 42 6.534 16.065 13.866 1.000 11.965 . 42 ALA AAA HB2 c 1 ATOM 688 H HB1 . ALA AAA 1 42 HB1 . ALA 42 7.404 16.761 14.996 1.000 11.964 . 42 ALA AAA HB1 c 1 ATOM 689 C C . ALA AAA 1 42 C . ALA 42 7.857 14.653 16.611 1.000 12.415 . 42 ALA AAA C . 1 ATOM 690 O O . ALA AAA 1 42 O . ALA 42 7.015 14.454 17.501 1.000 12.427 . 42 ALA AAA O . 1 ATOM 692 N N . THR AAA 1 43 N . THR 43 9.146 14.822 16.851 1.000 13.171 . 43 THR AAA N . 1 ATOM 693 H H . THR AAA 1 43 H . THR 43 9.776 14.857 16.201 1.000 13.168 . 43 THR AAA H c 1 ATOM 694 C CA . THR AAA 1 43 CA . THR 43 9.717 14.887 18.205 1.000 13.734 . 43 THR AAA CA . 1 ATOM 695 H HA . THR AAA 1 43 HA . THR 43 9.016 15.157 18.837 1.000 13.475 . 43 THR AAA HA c 1 ATOM 696 C CB . THR AAA 1 43 CB . THR 43 10.337 13.531 18.653 1.000 13.420 . 43 THR AAA CB . 1 ATOM 697 H HB . THR AAA 1 43 HB . THR 43 10.686 13.655 19.568 1.000 13.693 . 43 THR AAA HB c 1 ATOM 698 O OG1 . THR AAA 1 43 OG1 . THR 43 11.441 13.141 17.803 1.000 14.614 . 43 THR AAA OG1 . 1 ATOM 699 H HG1 . THR AAA 1 43 HG1 . THR 43 11.760 12.398 18.066 0.000 14.750 . 43 THR AAA HG1 c 1 ATOM 700 C CG2 . THR AAA 1 43 CG2 . THR 43 9.311 12.417 18.692 1.000 13.386 . 43 THR AAA CG2 . 1 ATOM 701 H HG21 . THR AAA 1 43 HG21 . THR 43 8.583 12.666 19.290 1.000 13.396 . 43 THR AAA HG21 c 1 ATOM 702 H HG22 . THR AAA 1 43 HG22 . THR 43 9.730 11.599 19.014 1.000 13.396 . 43 THR AAA HG22 c 1 ATOM 703 H HG23 . THR AAA 1 43 HG23 . THR 43 8.957 12.268 17.797 1.000 13.395 . 43 THR AAA HG23 c 1 ATOM 704 C C . THR AAA 1 43 C . THR 43 10.792 15.947 18.156 1.000 13.303 . 43 THR AAA C . 1 ATOM 705 O O . THR AAA 1 43 O . THR 43 11.460 16.137 17.109 1.000 13.319 . 43 THR AAA O . 1 ATOM 707 N N . ASN AAA 1 44 N . ASN 44 10.959 16.672 19.258 1.000 13.975 . 44 ASN AAA N . 1 ATOM 708 H H . ASN AAA 1 44 H . ASN 44 10.485 16.535 20.024 1.000 13.828 . 44 ASN AAA H c 1 ATOM 709 C CA . ASN AAA 1 44 CA . ASN 44 11.929 17.768 19.326 1.000 14.049 . 44 ASN AAA CA . 1 ATOM 710 H HA . ASN AAA 1 44 HA . ASN 44 12.703 17.533 18.761 1.000 14.090 . 44 ASN AAA HA c 1 ATOM 711 C CB . ASN AAA 1 44 CB . ASN 44 11.326 19.063 18.771 1.000 15.470 . 44 ASN AAA CB . 1 ATOM 712 H HB3 . ASN AAA 1 44 HB3 . ASN 44 11.916 19.811 18.996 1.000 15.182 . 44 ASN AAA HB3 c 1 ATOM 713 H HB2 . ASN AAA 1 44 HB2 . ASN 44 10.459 19.220 19.198 1.000 15.179 . 44 ASN AAA HB2 c 1 ATOM 714 C CG . ASN AAA 1 44 CG . ASN 44 11.139 19.009 17.256 1.000 15.755 . 44 ASN AAA CG . 1 ATOM 715 O OD1 . ASN AAA 1 44 OD1 . ASN 44 12.155 19.115 16.545 1.000 17.583 . 44 ASN AAA OD1 . 1 ATOM 716 N ND2 . ASN AAA 1 44 ND2 . ASN 44 9.890 18.865 16.780 1.000 16.078 . 44 ASN AAA ND2 . 1 ATOM 717 H HD21 . ASN AAA 1 44 HD21 . ASN 44 9.756 18.839 15.910 0.000 15.800 . 44 ASN AAA HD21 c 1 ATOM 718 H HD22 . ASN AAA 1 44 HD22 . ASN 44 9.210 18.815 17.340 0.000 15.800 . 44 ASN AAA HD22 c 1 ATOM 719 C C . ASN AAA 1 44 C . ASN 44 12.409 17.911 20.772 1.000 13.031 . 44 ASN AAA C . 1 ATOM 720 O O . ASN AAA 1 44 O . ASN 44 11.587 18.081 21.698 1.000 14.077 . 44 ASN AAA O . 1 ATOM 722 N N . ARG AAA 1 45 N . ARG 45 13.742 17.885 20.938 1.000 13.608 . 45 ARG AAA N . 1 ATOM 723 H H . ARG AAA 1 45 H . ARG 45 14.336 17.803 20.251 1.000 13.853 . 45 ARG AAA H c 1 ATOM 724 C CA . ARG AAA 1 45 CA . ARG 45 14.349 17.997 22.268 1.000 15.318 . 45 ARG AAA CA . 1 ATOM 725 H HA . ARG AAA 1 45 HA . ARG 45 13.787 17.505 22.907 1.000 14.546 . 45 ARG AAA HA c 1 ATOM 726 C CB . ARG AAA 1 45 CB . ARG 45 15.767 17.418 22.293 1.000 14.362 . 45 ARG AAA CB . 1 ATOM 727 H HB3 . ARG AAA 1 45 HB3 . ARG 45 16.380 18.066 21.889 1.000 14.775 . 45 ARG AAA HB3 c 1 ATOM 728 H HB2 . ARG AAA 1 45 HB2 . ARG 45 15.785 16.603 21.750 1.000 14.777 . 45 ARG AAA HB2 c 1 ATOM 729 C CG . ARG AAA 1 45 CG . ARG 45 16.249 17.089 23.700 1.000 15.194 . 45 ARG AAA CG . 1 ATOM 730 H HG3 . ARG AAA 1 45 HG3 . ARG 45 16.074 17.841 24.305 1.000 14.982 . 45 ARG AAA HG3 c 1 ATOM 731 H HG2 . ARG AAA 1 45 HG2 . ARG 45 17.212 16.900 23.693 1.000 14.983 . 45 ARG AAA HG2 c 1 ATOM 732 C CD . ARG AAA 1 45 CD . ARG 45 15.483 15.861 24.162 1.000 15.148 . 45 ARG AAA CD . 1 ATOM 733 H HD3 . ARG AAA 1 45 HD3 . ARG 45 15.661 15.135 23.531 1.000 15.090 . 45 ARG AAA HD3 c 1 ATOM 734 H HD2 . ARG AAA 1 45 HD2 . ARG 45 14.527 16.060 24.109 1.000 15.061 . 45 ARG AAA HD2 c 1 ATOM 735 N NE . ARG AAA 1 45 NE . ARG 45 15.770 15.390 25.509 0.500 14.779 . 45 ARG AAA NE . 1 ATOM 736 H HE . ARG AAA 1 45 HE . ARG 45 15.199 15.581 26.137 0.500 14.597 . 45 ARG AAA HE c 1 ATOM 737 C CZ . ARG AAA 1 45 CZ . ARG 45 16.849 14.671 25.847 0.500 13.900 . 45 ARG AAA CZ . 1 ATOM 738 N NH1 . ARG AAA 1 45 NH1 . ARG 45 17.737 14.315 24.949 0.500 14.270 . 45 ARG AAA NH1 . 1 ATOM 739 H HH11 . ARG AAA 1 45 HH11 . ARG 45 17.651 14.568 24.114 0.500 14.157 . 45 ARG AAA HH11 c 1 ATOM 740 H HH12 . ARG AAA 1 45 HH12 . ARG 45 18.435 13.841 25.195 0.500 14.155 . 45 ARG AAA HH12 c 1 ATOM 741 N NH2 . ARG AAA 1 45 NH2 . ARG 45 17.010 14.258 27.088 0.500 13.304 . 45 ARG AAA NH2 . 1 ATOM 742 H HH21 . ARG AAA 1 45 HH21 . ARG 45 16.419 14.479 27.704 0.500 13.562 . 45 ARG AAA HH21 c 1 ATOM 743 H HH22 . ARG AAA 1 45 HH22 . ARG 45 17.720 13.784 27.304 0.500 13.562 . 45 ARG AAA HH22 c 1 ATOM 744 C C . ARG AAA 1 45 C . ARG 45 14.358 19.472 22.651 1.000 14.014 . 45 ARG AAA C . 1 ATOM 745 O O . ARG AAA 1 45 O . ARG 45 14.665 20.366 21.828 1.000 14.412 . 45 ARG AAA O . 1 ATOM 747 N N . ASN AAA 1 46 N . ASN 46 14.037 19.712 23.917 1.000 15.072 . 46 ASN AAA N . 1 ATOM 748 H H . ASN AAA 1 46 H . ASN 46 13.782 19.057 24.497 1.000 14.767 . 46 ASN AAA H c 1 ATOM 749 C CA . ASN AAA 1 46 CA . ASN 46 14.064 21.061 24.511 1.000 14.853 . 46 ASN AAA CA . 1 ATOM 750 H HA . ASN AAA 1 46 HA . ASN 46 14.010 21.729 23.788 1.000 14.905 . 46 ASN AAA HA c 1 ATOM 751 C CB . ASN AAA 1 46 CB . ASN 46 12.872 21.273 25.441 1.000 15.193 . 46 ASN AAA CB . 1 ATOM 752 H HB3 . ASN AAA 1 46 HB3 . ASN 46 12.920 22.179 25.809 1.000 15.435 . 46 ASN AAA HB3 c 1 ATOM 753 H HB2 . ASN AAA 1 46 HB2 . ASN 46 12.940 20.642 26.186 1.000 15.427 . 46 ASN AAA HB2 c 1 ATOM 754 C CG . ASN AAA 1 46 CG . ASN 46 11.535 21.091 24.766 1.000 16.626 . 46 ASN AAA CG . 1 ATOM 755 O OD1 . ASN AAA 1 46 OD1 . ASN 46 11.360 21.566 23.633 1.000 17.796 . 46 ASN AAA OD1 . 1 ATOM 756 N ND2 . ASN AAA 1 46 ND2 . ASN 46 10.581 20.454 25.462 1.000 14.430 . 46 ASN AAA ND2 . 1 ATOM 757 H HD21 . ASN AAA 1 46 HD21 . ASN 46 9.785 20.325 25.106 0.000 14.390 . 46 ASN AAA HD21 c 1 ATOM 758 H HD22 . ASN AAA 1 46 HD22 . ASN 46 10.754 20.158 26.279 0.000 14.390 . 46 ASN AAA HD22 c 1 ATOM 759 C C . ASN AAA 1 46 C . ASN 46 15.395 21.227 25.241 1.000 14.563 . 46 ASN AAA C . 1 ATOM 760 O O . ASN AAA 1 46 O . ASN 46 15.979 20.252 25.651 1.000 13.812 . 46 ASN AAA O . 1 ATOM 762 N N . THR AAA 1 47 N . THR 47 15.832 22.460 25.401 1.000 14.248 . 47 THR AAA N . 1 ATOM 763 H H . THR AAA 1 47 H . THR 47 15.371 23.195 25.127 1.000 14.393 . 47 THR AAA H c 1 ATOM 764 C CA . THR AAA 1 47 CA . THR 47 17.098 22.789 26.092 1.000 14.471 . 47 THR AAA CA . 1 ATOM 765 H HA . THR AAA 1 47 HA . THR 47 17.821 22.379 25.563 1.000 14.616 . 47 THR AAA HA c 1 ATOM 766 C CB . THR AAA 1 47 CB . THR 47 17.335 24.310 26.082 1.000 16.075 . 47 THR AAA CB . 1 ATOM 767 H HB . THR AAA 1 47 HB . THR 47 18.200 24.481 26.526 1.000 16.329 . 47 THR AAA HB c 1 ATOM 768 O OG1 . THR AAA 1 47 OG1 . THR 47 16.319 25.020 26.791 1.000 18.196 . 47 THR AAA OG1 . 1 ATOM 769 H HG1 . THR AAA 1 47 HG1 . THR 47 16.491 25.850 26.760 0.000 17.830 . 47 THR AAA HG1 c 1 ATOM 770 C CG2 . THR AAA 1 47 CG2 . THR 47 17.413 24.846 24.678 1.000 17.131 . 47 THR AAA CG2 . 1 ATOM 771 H HG21 . THR AAA 1 47 HG21 . THR 47 18.130 24.396 24.198 1.000 16.802 . 47 THR AAA HG21 c 1 ATOM 772 H HG22 . THR AAA 1 47 HG22 . THR 47 17.594 25.803 24.706 1.000 16.802 . 47 THR AAA HG22 c 1 ATOM 773 H HG23 . THR AAA 1 47 HG23 . THR 47 16.571 24.692 24.219 1.000 16.810 . 47 THR AAA HG23 c 1 ATOM 774 C C . THR AAA 1 47 C . THR 47 17.171 22.185 27.504 1.000 13.939 . 47 THR AAA C . 1 ATOM 775 O O . THR AAA 1 47 O . THR 47 18.303 21.925 27.971 1.000 14.576 . 47 THR AAA O . 1 ATOM 777 N N . ASP AAA 1 48 N . ASP 48 16.040 22.030 28.198 1.000 15.134 . 48 ASP AAA N . 1 ATOM 778 H H . ASP AAA 1 48 H . ASP 48 15.210 22.205 27.868 1.000 14.618 . 48 ASP AAA H c 1 ATOM 779 C CA . ASP AAA 1 48 CA . ASP 48 16.085 21.564 29.605 1.000 14.174 . 48 ASP AAA CA . 1 ATOM 780 H HA . ASP AAA 1 48 HA . ASP 48 16.903 21.924 30.022 1.000 14.296 . 48 ASP AAA HA c 1 ATOM 781 C CB . ASP AAA 1 48 CB . ASP 48 14.896 22.119 30.366 1.000 14.625 . 48 ASP AAA CB . 1 ATOM 782 H HB3 . ASP AAA 1 48 HB3 . ASP 48 14.873 23.091 30.250 1.000 14.782 . 48 ASP AAA HB3 c 1 ATOM 783 H HB2 . ASP AAA 1 48 HB2 . ASP 48 15.016 21.930 31.320 1.000 14.782 . 48 ASP AAA HB2 c 1 ATOM 784 C CG . ASP AAA 1 48 CG . ASP 48 13.560 21.564 29.942 1.000 15.790 . 48 ASP AAA CG . 1 ATOM 785 O OD1 . ASP AAA 1 48 OD1 . ASP 48 13.498 20.913 28.883 1.000 15.379 . 48 ASP AAA OD1 . 1 ATOM 786 O OD2 . ASP AAA 1 48 OD2 . ASP 48 12.549 21.866 30.620 1.000 15.286 . 48 ASP AAA OD2 . 1 ATOM 787 C C . ASP AAA 1 48 C . ASP 48 16.136 20.017 29.693 1.000 13.458 . 48 ASP AAA C . 1 ATOM 788 O O . ASP AAA 1 48 O . ASP 48 16.112 19.478 30.811 1.000 13.513 . 48 ASP AAA O . 1 ATOM 790 N N . GLY AAA 1 49 N . GLY 49 16.111 19.325 28.571 1.000 14.668 . 49 GLY AAA N . 1 ATOM 791 H H . GLY AAA 1 49 H . GLY 49 16.042 19.705 27.747 1.000 14.036 . 49 GLY AAA H c 1 ATOM 792 C CA . GLY AAA 1 49 CA . GLY 49 16.175 17.857 28.581 1.000 13.246 . 49 GLY AAA CA . 1 ATOM 793 H HA3 . GLY AAA 1 49 HA3 . GLY 49 16.486 17.551 29.470 1.000 13.494 . 49 GLY AAA HA3 c 1 ATOM 794 H HA2 . GLY AAA 1 49 HA2 . GLY 49 16.843 17.563 27.912 1.000 13.494 . 49 GLY AAA HA2 c 1 ATOM 795 C C . GLY AAA 1 49 C . GLY 49 14.856 17.212 28.272 1.000 12.941 . 49 GLY AAA C . 1 ATOM 796 O O . GLY AAA 1 49 O . GLY 49 14.834 16.012 28.036 1.000 13.020 . 49 GLY AAA O . 1 ATOM 798 N N . SER AAA 1 50 N . SER 50 13.765 17.964 28.355 1.000 12.296 . 50 SER AAA N . 1 ATOM 799 H H . SER AAA 1 50 H . SER 50 13.747 18.839 28.605 1.000 12.422 . 50 SER AAA H c 1 ATOM 800 C CA . SER AAA 1 50 CA . SER 50 12.432 17.416 28.039 1.000 12.179 . 50 SER AAA CA . 1 ATOM 801 H HA . SER AAA 1 50 HA . SER 50 12.361 16.512 28.450 1.000 11.835 . 50 SER AAA HA c 1 ATOM 802 C CB . SER AAA 1 50 CB . SER 50 11.327 18.284 28.597 1.000 11.359 . 50 SER AAA CB . 1 ATOM 803 H HB3 . SER AAA 1 50 HB3 . SER 50 11.451 18.377 29.569 1.000 11.661 . 50 SER AAA HB3 c 1 ATOM 804 H HB2 . SER AAA 1 50 HB2 . SER 50 10.464 17.839 28.445 1.000 11.673 . 50 SER AAA HB2 c 1 ATOM 805 O OG . SER AAA 1 50 OG . SER 50 11.301 19.569 28.006 1.000 11.835 . 50 SER AAA OG . 1 ATOM 806 H HG . SER AAA 1 50 HG . SER 50 10.664 20.010 28.348 0.000 11.660 . 50 SER AAA HG c 1 ATOM 807 C C . SER AAA 1 50 C . SER 50 12.327 17.263 26.512 1.000 11.107 . 50 SER AAA C . 1 ATOM 808 O O . SER AAA 1 50 O . SER 50 13.159 17.816 25.750 1.000 11.653 . 50 SER AAA O . 1 ATOM 810 N N . THR AAA 1 51 N . THR 51 11.263 16.618 26.077 1.000 11.455 . 51 THR AAA N . 1 ATOM 811 H H . THR AAA 1 51 H . THR 51 10.626 16.237 26.606 1.000 11.371 . 51 THR AAA H c 1 ATOM 812 C CA . THR AAA 1 51 CA . THR 51 11.018 16.453 24.630 1.000 11.447 . 51 THR AAA CA . 1 ATOM 813 H HA . THR AAA 1 51 HA . THR 51 11.566 17.109 24.144 1.000 11.381 . 51 THR AAA HA c 1 ATOM 814 C CB . THR AAA 1 51 CB . THR 51 11.424 15.036 24.178 1.000 11.677 . 51 THR AAA CB . 1 ATOM 815 H HB . THR AAA 1 51 HB . THR 51 10.887 14.396 24.700 1.000 11.607 . 51 THR AAA HB c 1 ATOM 816 O OG1 . THR AAA 1 51 OG1 . THR 51 12.804 14.750 24.420 1.000 11.510 . 51 THR AAA OG1 . 1 ATOM 817 H HG1 . THR AAA 1 51 HG1 . THR 51 12.977 13.960 24.155 0.000 11.270 . 51 THR AAA HG1 c 1 ATOM 818 C CG2 . THR AAA 1 51 CG2 . THR 51 11.125 14.813 22.709 1.000 11.783 . 51 THR AAA CG2 . 1 ATOM 819 H HG21 . THR AAA 1 51 HG21 . THR 51 10.161 14.803 22.567 1.000 11.747 . 51 THR AAA HG21 c 1 ATOM 820 H HG22 . THR AAA 1 51 HG22 . THR 51 11.501 13.959 22.428 1.000 11.750 . 51 THR AAA HG22 c 1 ATOM 821 H HG23 . THR AAA 1 51 HG23 . THR 51 11.523 15.529 22.183 1.000 11.755 . 51 THR AAA HG23 c 1 ATOM 822 C C . THR AAA 1 51 C . THR 51 9.551 16.727 24.335 1.000 10.871 . 51 THR AAA C . 1 ATOM 823 O O . THR AAA 1 51 O . THR 51 8.666 16.448 25.150 1.000 11.423 . 51 THR AAA O . 1 ATOM 825 N N . ASP AAA 1 52 N . ASP 52 9.291 17.267 23.154 1.000 10.675 . 52 ASP AAA N . 1 ATOM 826 H H . ASP AAA 1 52 H . ASP 52 9.948 17.486 22.563 1.000 10.888 . 52 ASP AAA H c 1 ATOM 827 C CA . ASP AAA 1 52 CA . ASP 52 7.920 17.574 22.654 1.000 11.389 . 52 ASP AAA CA . 1 ATOM 828 H HA . ASP AAA 1 52 HA . ASP 52 7.300 17.588 23.419 1.000 11.585 . 52 ASP AAA HA c 1 ATOM 829 C CB . ASP AAA 1 52 CB . ASP 52 7.855 18.928 21.946 1.000 12.508 . 52 ASP AAA CB . 1 ATOM 830 H HB3 . ASP AAA 1 52 HB3 . ASP 52 6.995 19.007 21.492 1.000 12.250 . 52 ASP AAA HB3 c 1 ATOM 831 H HB2 . ASP AAA 1 52 HB2 . ASP 52 8.566 18.980 21.275 1.000 12.257 . 52 ASP AAA HB2 c 1 ATOM 832 C CG . ASP AAA 1 52 CG . ASP 52 8.010 20.097 22.915 1.000 12.621 . 52 ASP AAA CG . 1 ATOM 833 O OD1 . ASP AAA 1 52 OD1 . ASP 52 8.009 19.842 24.142 1.000 13.344 . 52 ASP AAA OD1 . 1 ATOM 834 O OD2 . ASP AAA 1 52 OD2 . ASP 52 8.135 21.254 22.449 1.000 13.607 . 52 ASP AAA OD2 . 1 ATOM 835 C C . ASP AAA 1 52 C . ASP 52 7.525 16.449 21.725 1.000 12.086 . 52 ASP AAA C . 1 ATOM 836 O O . ASP AAA 1 52 O . ASP 52 8.362 16.048 20.892 1.000 11.677 . 52 ASP AAA O . 1 ATOM 838 N N . TYR AAA 1 53 N . TYR 53 6.309 15.946 21.857 1.000 11.816 . 53 TYR AAA N . 1 ATOM 839 H H . TYR AAA 1 53 H . TYR 53 5.684 16.234 22.452 1.000 11.920 . 53 TYR AAA H c 1 ATOM 840 C CA . TYR AAA 1 53 CA . TYR 53 5.852 14.825 21.006 1.000 11.986 . 53 TYR AAA CA . 1 ATOM 841 H HA . TYR AAA 1 53 HA . TYR 53 6.550 14.639 20.328 1.000 11.737 . 53 TYR AAA HA c 1 ATOM 842 C CB . TYR AAA 1 53 CB . TYR 53 5.644 13.559 21.844 1.000 11.168 . 53 TYR AAA CB . 1 ATOM 843 H HB3 . TYR AAA 1 53 HB3 . TYR 53 5.342 12.837 21.254 1.000 11.104 . 53 TYR AAA HB3 c 1 ATOM 844 H HB2 . TYR AAA 1 53 HB2 . TYR 53 4.936 13.730 22.500 1.000 11.108 . 53 TYR AAA HB2 c 1 ATOM 845 C CG . TYR AAA 1 53 CG . TYR 53 6.878 13.119 22.562 1.000 10.168 . 53 TYR AAA CG . 1 ATOM 846 C CD1 . TYR AAA 1 53 CD1 . TYR 53 7.295 13.720 23.746 1.000 9.499 . 53 TYR AAA CD1 . 1 ATOM 847 H HD1 . TYR AAA 1 53 HD1 . TYR 53 6.791 14.430 24.110 1.000 9.846 . 53 TYR AAA HD1 c 1 ATOM 848 C CE1 . TYR AAA 1 53 CE1 . TYR 53 8.440 13.275 24.417 1.000 10.263 . 53 TYR AAA CE1 . 1 ATOM 849 H HE1 . TYR AAA 1 53 HE1 . TYR 53 8.708 13.694 25.216 1.000 9.972 . 53 TYR AAA HE1 c 1 ATOM 850 C CZ . TYR AAA 1 53 CZ . TYR 53 9.190 12.233 23.908 1.000 9.734 . 53 TYR AAA CZ . 1 ATOM 851 O OH . TYR AAA 1 53 OH . TYR 53 10.321 11.799 24.608 1.000 9.741 . 53 TYR AAA OH . 1 ATOM 852 H HH . TYR AAA 1 53 HH . TYR 53 10.098 11.534 25.392 0.000 9.460 . 53 TYR AAA HH c 1 ATOM 853 C CE2 . TYR AAA 1 53 CE2 . TYR 53 8.804 11.636 22.715 1.000 10.022 . 53 TYR AAA CE2 . 1 ATOM 854 H HE2 . TYR AAA 1 53 HE2 . TYR 53 9.291 10.903 22.377 1.000 9.928 . 53 TYR AAA HE2 c 1 ATOM 855 C CD2 . TYR AAA 1 53 CD2 . TYR 53 7.636 12.045 22.086 1.000 9.861 . 53 TYR AAA CD2 . 1 ATOM 856 H HD2 . TYR AAA 1 53 HD2 . TYR 53 7.387 11.633 21.276 1.000 9.983 . 53 TYR AAA HD2 c 1 ATOM 857 C C . TYR AAA 1 53 C . TYR 53 4.513 14.996 20.283 1.000 11.686 . 53 TYR AAA C . 1 ATOM 858 O O . TYR AAA 1 53 O . TYR 53 3.551 15.546 20.787 1.000 11.523 . 53 TYR AAA O . 1 ATOM 860 N N . GLY AAA 1 54 N . GLY 54 4.498 14.535 19.030 1.000 11.516 . 54 GLY AAA N . 1 ATOM 861 H H . GLY AAA 1 54 H . GLY 54 5.241 14.221 18.608 1.000 11.675 . 54 GLY AAA H c 1 ATOM 862 C CA . GLY AAA 1 54 CA . GLY 54 3.274 14.503 18.231 1.000 12.012 . 54 GLY AAA CA . 1 ATOM 863 H HA3 . GLY AAA 1 54 HA3 . GLY 54 2.533 14.229 18.826 1.000 11.775 . 54 GLY AAA HA3 c 1 ATOM 864 H HA2 . GLY AAA 1 54 HA2 . GLY 54 3.372 13.785 17.562 1.000 11.774 . 54 GLY AAA HA2 c 1 ATOM 865 C C . GLY AAA 1 54 C . GLY 54 2.846 15.762 17.505 1.000 11.496 . 54 GLY AAA C . 1 ATOM 866 O O . GLY AAA 1 54 O . GLY 54 3.541 16.765 17.498 1.000 11.307 . 54 GLY AAA O . 1 ATOM 868 N N . ILE AAA 1 55 N . ILE 55 1.641 15.701 16.929 1.000 11.536 . 55 ILE AAA N . 1 ATOM 869 H H . ILE AAA 1 55 H . ILE 55 1.112 14.966 17.010 1.000 11.596 . 55 ILE AAA H c 1 ATOM 870 C CA . ILE AAA 1 55 CA . ILE 55 1.035 16.767 16.127 1.000 11.736 . 55 ILE AAA CA . 1 ATOM 871 H HA . ILE AAA 1 55 HA . ILE 55 1.584 16.883 15.337 1.000 11.718 . 55 ILE AAA HA c 1 ATOM 872 C CB . ILE AAA 1 55 CB . ILE 55 -0.381 16.383 15.655 1.000 12.787 . 55 ILE AAA CB . 1 ATOM 873 H HB . ILE AAA 1 55 HB . ILE 55 -0.762 17.154 15.166 1.000 12.796 . 55 ILE AAA HB c 1 ATOM 874 C CG1 . ILE AAA 1 55 CG1 . ILE 55 -1.296 16.071 16.842 1.000 13.805 . 55 ILE AAA CG1 . 1 ATOM 875 H HG12 . ILE AAA 1 55 HG12 . ILE 55 -1.074 16.666 17.586 1.000 14.252 . 55 ILE AAA HG12 c 1 ATOM 876 H HG13 . ILE AAA 1 55 HG13 . ILE 55 -1.135 15.151 17.133 1.000 14.278 . 55 ILE AAA HG13 c 1 ATOM 877 C CG2 . ILE AAA 1 55 CG2 . ILE 55 -0.292 15.219 14.705 1.000 12.934 . 55 ILE AAA CG2 . 1 ATOM 878 H HG21 . ILE AAA 1 55 HG21 . ILE 55 0.330 15.430 13.986 1.000 12.888 . 55 ILE AAA HG21 c 1 ATOM 879 H HG22 . ILE AAA 1 55 HG22 . ILE 55 -1.171 15.039 14.327 1.000 12.895 . 55 ILE AAA HG22 c 1 ATOM 880 C CD1 . ILE AAA 1 55 CD1 . ILE 55 -2.743 16.222 16.529 1.000 17.179 . 55 ILE AAA CD1 . 1 ATOM 881 H HD11 . ILE AAA 1 55 HD11 . ILE 55 -2.922 17.137 16.252 1.000 16.058 . 55 ILE AAA HD11 c 1 ATOM 882 H HD12 . ILE AAA 1 55 HD12 . ILE 55 -3.270 16.015 17.320 1.000 16.058 . 55 ILE AAA HD12 c 1 ATOM 883 H HD13 . ILE AAA 1 55 HD13 . ILE 55 -2.986 15.613 15.810 1.000 16.053 . 55 ILE AAA HD13 c 1 ATOM 884 H HG23 . ILE AAA 1 55 HG23 . ILE 55 0.021 14.432 15.181 1.000 12.894 . 55 ILE AAA HG23 c 1 ATOM 885 C C . ILE AAA 1 55 C . ILE 55 0.985 18.108 16.864 1.000 10.890 . 55 ILE AAA C . 1 ATOM 886 O O . ILE AAA 1 55 O . ILE 55 0.967 19.141 16.205 1.000 10.871 . 55 ILE AAA O . 1 ATOM 888 N N . LEU AAA 1 56 N . LEU 56 0.878 18.088 18.180 1.000 11.700 . 56 LEU AAA N . 1 ATOM 889 H H . LEU AAA 1 56 H . LEU 56 0.842 17.324 18.674 1.000 11.464 . 56 LEU AAA H c 1 ATOM 890 C CA . LEU AAA 1 56 CA . LEU 56 0.783 19.335 18.966 1.000 11.502 . 56 LEU AAA CA . 1 ATOM 891 H HA . LEU AAA 1 56 HA . LEU 56 0.813 20.091 18.339 1.000 11.355 . 56 LEU AAA HA c 1 ATOM 892 C CB . LEU AAA 1 56 CB . LEU 56 -0.553 19.356 19.701 1.000 11.403 . 56 LEU AAA CB . 1 ATOM 893 H HB3 . LEU AAA 1 56 HB3 . LEU 56 -0.500 20.004 20.431 1.000 11.565 . 56 LEU AAA HB3 c 1 ATOM 894 H HB2 . LEU AAA 1 56 HB2 . LEU 56 -0.704 18.474 20.096 1.000 11.568 . 56 LEU AAA HB2 c 1 ATOM 895 C CG . LEU AAA 1 56 CG . LEU 56 -1.761 19.713 18.816 1.000 12.020 . 56 LEU AAA CG . 1 ATOM 896 H HG . LEU AAA 1 56 HG . LEU 56 -1.757 19.109 18.033 1.000 12.279 . 56 LEU AAA HG c 1 ATOM 897 C CD1 . LEU AAA 1 56 CD1 . LEU 56 -3.064 19.506 19.566 1.000 13.272 . 56 LEU AAA CD1 . 1 ATOM 898 H HD11 . LEU AAA 1 56 HD11 . LEU 56 -3.139 18.574 19.835 1.000 12.873 . 56 LEU AAA HD11 c 1 ATOM 899 H HD12 . LEU AAA 1 56 HD12 . LEU 56 -3.812 19.737 18.989 1.000 12.873 . 56 LEU AAA HD12 c 1 ATOM 900 H HD13 . LEU AAA 1 56 HD13 . LEU 56 -3.077 20.073 20.356 1.000 12.873 . 56 LEU AAA HD13 c 1 ATOM 901 C CD2 . LEU AAA 1 56 CD2 . LEU 56 -1.623 21.158 18.306 1.000 12.833 . 56 LEU AAA CD2 . 1 ATOM 902 H HD21 . LEU AAA 1 56 HD21 . LEU 56 -1.461 21.755 19.058 1.000 12.576 . 56 LEU AAA HD21 c 1 ATOM 903 H HD22 . LEU AAA 1 56 HD22 . LEU 56 -2.446 21.423 17.856 1.000 12.576 . 56 LEU AAA HD22 c 1 ATOM 904 H HD23 . LEU AAA 1 56 HD23 . LEU 56 -0.881 21.216 17.680 1.000 12.571 . 56 LEU AAA HD23 c 1 ATOM 905 C C . LEU AAA 1 56 C . LEU 56 1.987 19.457 19.894 1.000 10.642 . 56 LEU AAA C . 1 ATOM 906 O O . LEU AAA 1 56 O . LEU 56 1.931 20.271 20.820 1.000 10.522 . 56 LEU AAA O . 1 ATOM 908 N N . GLN AAA 1 57 N . GLN 57 3.030 18.684 19.670 1.000 10.775 . 57 GLN AAA N . 1 ATOM 909 H H . GLN AAA 1 57 H . GLN 57 3.037 18.033 19.038 1.000 10.806 . 57 GLN AAA H c 1 ATOM 910 C CA . GLN AAA 1 57 CA . GLN 57 4.311 18.805 20.421 1.000 11.020 . 57 GLN AAA CA . 1 ATOM 911 H HA . GLN AAA 1 57 HA . GLN 57 4.824 17.977 20.281 1.000 11.120 . 57 GLN AAA HA c 1 ATOM 912 C CB . GLN AAA 1 57 CB . GLN 57 5.101 19.975 19.827 1.000 10.871 . 57 GLN AAA CB . 1 ATOM 913 H HB3 . GLN AAA 1 57 HB3 . GLN 57 5.864 20.174 20.404 1.000 10.755 . 57 GLN AAA HB3 c 1 ATOM 914 H HB2 . GLN AAA 1 57 HB2 . GLN 57 4.524 20.767 19.803 1.000 10.746 . 57 GLN AAA HB2 c 1 ATOM 915 C CG . GLN AAA 1 57 CG . GLN 57 5.588 19.675 18.446 1.000 10.200 . 57 GLN AAA CG . 1 ATOM 916 H HG3 . GLN AAA 1 57 HG3 . GLN 57 5.925 20.501 18.040 1.000 10.349 . 57 GLN AAA HG3 c 1 ATOM 917 H HG2 . GLN AAA 1 57 HG2 . GLN 57 4.837 19.358 17.900 1.000 10.348 . 57 GLN AAA HG2 c 1 ATOM 918 C CD . GLN AAA 1 57 CD . GLN 57 6.680 18.641 18.426 1.000 10.176 . 57 GLN AAA CD . 1 ATOM 919 O OE1 . GLN AAA 1 57 OE1 . GLN 57 7.842 18.980 18.690 1.000 11.257 . 57 GLN AAA OE1 . 1 ATOM 920 N NE2 . GLN AAA 1 57 NE2 . GLN 57 6.334 17.373 18.114 1.000 9.581 . 57 GLN AAA NE2 . 1 ATOM 921 H HE21 . GLN AAA 1 57 HE21 . GLN 57 6.953 16.738 18.095 0.000 9.700 . 57 GLN AAA HE21 c 1 ATOM 922 H HE22 . GLN AAA 1 57 HE22 . GLN 57 5.496 17.172 17.921 0.000 9.700 . 57 GLN AAA HE22 c 1 ATOM 923 C C . GLN AAA 1 57 C . GLN 57 4.093 18.980 21.912 1.000 12.002 . 57 GLN AAA C . 1 ATOM 924 O O . GLN AAA 1 57 O . GLN 57 4.558 19.972 22.505 1.000 11.849 . 57 GLN AAA O . 1 ATOM 926 N N . ILE AAA 1 58 N . ILE 58 3.478 17.979 22.518 1.000 12.350 . 58 ILE AAA N . 1 ATOM 927 H H . ILE AAA 1 58 H . ILE 58 3.175 17.247 22.066 1.000 12.308 . 58 ILE AAA H c 1 ATOM 928 C CA . ILE AAA 1 58 CA . ILE 58 3.214 17.922 23.977 1.000 12.541 . 58 ILE AAA CA . 1 ATOM 929 H HA . ILE AAA 1 58 HA . ILE 58 2.938 18.811 24.263 1.000 12.458 . 58 ILE AAA HA c 1 ATOM 930 C CB . ILE AAA 1 58 CB . ILE 58 2.060 16.966 24.260 1.000 12.200 . 58 ILE AAA CB . 1 ATOM 931 H HB . ILE AAA 1 58 HB . ILE 58 2.242 16.102 23.820 1.000 12.480 . 58 ILE AAA HB c 1 ATOM 932 C CG1 . ILE AAA 1 58 CG1 . ILE 58 0.770 17.558 23.690 1.000 12.377 . 58 ILE AAA CG1 . 1 ATOM 933 H HG12 . ILE AAA 1 58 HG12 . ILE 58 0.900 17.737 22.734 1.000 12.452 . 58 ILE AAA HG12 c 1 ATOM 934 H HG13 . ILE AAA 1 58 HG13 . ILE 58 0.593 18.414 24.135 1.000 12.452 . 58 ILE AAA HG13 c 1 ATOM 935 C CG2 . ILE AAA 1 58 CG2 . ILE 58 1.944 16.755 25.759 1.000 13.145 . 58 ILE AAA CG2 . 1 ATOM 936 H HG21 . ILE AAA 1 58 HG21 . ILE 58 2.760 16.349 26.096 1.000 12.845 . 58 ILE AAA HG21 c 1 ATOM 937 H HG22 . ILE AAA 1 58 HG22 . ILE 58 1.194 16.167 25.949 1.000 12.845 . 58 ILE AAA HG22 c 1 ATOM 938 C CD1 . ILE AAA 1 58 CD1 . ILE 58 -0.432 16.676 23.851 1.000 12.886 . 58 ILE AAA CD1 . 1 ATOM 939 H HD11 . ILE AAA 1 58 HD11 . ILE 58 -0.222 15.778 23.537 1.000 12.727 . 58 ILE AAA HD11 c 1 ATOM 940 H HD12 . ILE AAA 1 58 HD12 . ILE 58 -1.172 17.036 23.331 1.000 12.727 . 58 ILE AAA HD12 c 1 ATOM 941 H HD13 . ILE AAA 1 58 HD13 . ILE 58 -0.685 16.640 24.789 1.000 12.727 . 58 ILE AAA HD13 c 1 ATOM 942 H HG23 . ILE AAA 1 58 HG23 . ILE 58 1.804 17.611 26.199 1.000 12.845 . 58 ILE AAA HG23 c 1 ATOM 943 C C . ILE AAA 1 58 C . ILE 58 4.520 17.577 24.696 1.000 12.614 . 58 ILE AAA C . 1 ATOM 944 O O . ILE AAA 1 58 O . ILE 58 5.152 16.595 24.378 1.000 11.537 . 58 ILE AAA O . 1 ATOM 946 N N . ASN AAA 1 59 N . ASN 59 4.813 18.371 25.728 1.000 12.900 . 59 ASN AAA N . 1 ATOM 947 H H . ASN AAA 1 59 H . ASN 59 4.227 19.002 26.025 1.000 12.930 . 59 ASN AAA H c 1 ATOM 948 C CA . ASN AAA 1 59 CA . ASN 59 6.049 18.338 26.513 1.000 13.295 . 59 ASN AAA CA . 1 ATOM 949 H HA . ASN AAA 1 59 HA . ASN 59 6.795 18.162 25.894 1.000 13.448 . 59 ASN AAA HA c 1 ATOM 950 C CB . ASN AAA 1 59 CB . ASN 59 6.271 19.715 27.115 1.000 14.828 . 59 ASN AAA CB . 1 ATOM 951 H HB3 . ASN AAA 1 59 HB3 . ASN 59 5.659 19.835 27.871 1.000 14.679 . 59 ASN AAA HB3 c 1 ATOM 952 H HB2 . ASN AAA 1 59 HB2 . ASN 59 6.058 20.394 26.443 1.000 14.680 . 59 ASN AAA HB2 c 1 ATOM 953 C CG . ASN AAA 1 59 CG . ASN 59 7.684 19.918 27.589 1.000 15.861 . 59 ASN AAA CG . 1 ATOM 954 O OD1 . ASN AAA 1 59 OD1 . ASN 59 8.314 18.955 28.045 1.000 19.600 . 59 ASN AAA OD1 . 1 ATOM 955 N ND2 . ASN AAA 1 59 ND2 . ASN 59 8.183 21.147 27.457 1.000 18.085 . 59 ASN AAA ND2 . 1 ATOM 956 H HD21 . ASN AAA 1 59 HD21 . ASN 59 9.009 21.328 27.719 0.000 17.950 . 59 ASN AAA HD21 c 1 ATOM 957 H HD22 . ASN AAA 1 59 HD22 . ASN 59 7.684 21.797 27.113 0.000 17.950 . 59 ASN AAA HD22 c 1 ATOM 958 C C . ASN AAA 1 59 C . ASN 59 6.058 17.254 27.606 1.000 13.056 . 59 ASN AAA C . 1 ATOM 959 O O . ASN AAA 1 59 O . ASN 59 5.167 17.159 28.459 1.000 13.347 . 59 ASN AAA O . 1 ATOM 961 N N . SER AAA 1 60 N . SER 60 7.126 16.465 27.633 1.000 13.363 . 60 SER AAA N . 1 ATOM 962 H H . SER AAA 1 60 H . SER 60 7.797 16.516 27.019 1.000 13.088 . 60 SER AAA H c 1 ATOM 963 C CA . SER AAA 1 60 CA . SER 60 7.374 15.416 28.651 1.000 12.540 . 60 SER AAA CA . 1 ATOM 964 H HA . SER AAA 1 60 HA . SER 60 6.557 14.853 28.718 1.000 12.682 . 60 SER AAA HA c 1 ATOM 965 C CB . SER AAA 1 60 CB . SER 60 8.516 14.547 28.195 1.000 12.071 . 60 SER AAA CB . 1 ATOM 966 H HB3 . SER AAA 1 60 HB3 . SER 60 8.326 14.226 27.286 1.000 11.829 . 60 SER AAA HB3 c 1 ATOM 967 H HB2 . SER AAA 1 60 HB2 . SER 60 8.570 13.760 28.783 1.000 11.832 . 60 SER AAA HB2 c 1 ATOM 968 O OG . SER AAA 1 60 OG . SER 60 9.774 15.208 28.196 1.000 10.675 . 60 SER AAA OG . 1 ATOM 969 H HG . SER AAA 1 60 HG . SER 60 10.368 14.657 27.937 0.000 10.540 . 60 SER AAA HG c 1 ATOM 970 C C . SER AAA 1 60 C . SER 60 7.651 16.036 30.048 1.000 12.967 . 60 SER AAA C . 1 ATOM 971 O O . SER AAA 1 60 O . SER 60 7.733 15.302 31.038 1.000 13.544 . 60 SER AAA O . 1 ATOM 973 N N . ARG AAA 1 61 N . ARG 61 7.892 17.335 30.146 1.000 13.388 . 61 ARG AAA N . 1 ATOM 974 H H . ARG AAA 1 61 H . ARG 61 7.903 17.897 29.434 1.000 13.382 . 61 ARG AAA H c 1 ATOM 975 C CA . ARG AAA 1 61 CA . ARG 61 8.200 17.981 31.440 1.000 13.749 . 61 ARG AAA CA . 1 ATOM 976 H HA . ARG AAA 1 61 HA . ARG 61 8.959 17.504 31.849 1.000 13.903 . 61 ARG AAA HA c 1 ATOM 977 C CB . ARG AAA 1 61 CB . ARG 61 8.609 19.457 31.218 1.000 14.679 . 61 ARG AAA CB . 1 ATOM 978 H HB3 . ARG AAA 1 61 HB3 . ARG 61 7.920 19.887 30.669 1.000 14.726 . 61 ARG AAA HB3 c 1 ATOM 979 H HB2 . ARG AAA 1 61 HB2 . ARG 61 9.446 19.470 30.708 1.000 14.729 . 61 ARG AAA HB2 c 1 ATOM 980 C CG . ARG AAA 1 61 CG . ARG 61 8.802 20.287 32.489 1.000 15.902 . 61 ARG AAA CG . 1 ATOM 981 H HG3 . ARG AAA 1 61 HG3 . ARG 61 8.119 20.034 33.143 1.000 15.715 . 61 ARG AAA HG3 c 1 ATOM 982 H HG2 . ARG AAA 1 61 HG2 . ARG 61 8.656 21.232 32.269 1.000 15.707 . 61 ARG AAA HG2 c 1 ATOM 983 C CD . ARG AAA 1 61 CD . ARG 61 10.153 20.156 33.122 0.500 16.341 . 61 ARG AAA CD . 1 ATOM 984 H HD3 . ARG AAA 1 61 HD3 . ARG 61 10.811 20.635 32.573 0.500 16.192 . 61 ARG AAA HD3 c 1 ATOM 985 H HD2 . ARG AAA 1 61 HD2 . ARG 61 10.409 19.210 33.137 0.500 16.192 . 61 ARG AAA HD2 c 1 ATOM 986 N NE . ARG AAA 1 61 NE . ARG 61 10.196 20.680 34.475 0.500 16.152 . 61 ARG AAA NE . 1 ATOM 987 H HE . ARG AAA 1 61 HE . ARG 61 10.677 21.392 34.623 0.500 16.443 . 61 ARG AAA HE c 1 ATOM 988 C CZ . ARG AAA 1 61 CZ . ARG 61 9.631 20.096 35.518 0.500 16.928 . 61 ARG AAA CZ . 1 ATOM 989 N NH1 . ARG AAA 1 61 NH1 . ARG 61 8.871 19.017 35.385 0.500 18.433 . 61 ARG AAA NH1 . 1 ATOM 990 H HH11 . ARG AAA 1 61 HH11 . ARG 61 8.789 18.630 34.602 0.500 17.835 . 61 ARG AAA HH11 c 1 ATOM 991 H HH12 . ARG AAA 1 61 HH12 . ARG 61 8.493 18.662 36.095 0.500 17.845 . 61 ARG AAA HH12 c 1 ATOM 992 N NH2 . ARG AAA 1 61 NH2 . ARG 61 9.730 20.652 36.700 0.500 17.030 . 61 ARG AAA NH2 . 1 ATOM 993 H HH21 . ARG AAA 1 61 HH21 . ARG 61 10.211 21.382 36.802 0.500 17.010 . 61 ARG AAA HH21 c 1 ATOM 994 H HH22 . ARG AAA 1 61 HH22 . ARG 61 9.331 20.282 37.394 0.500 17.010 . 61 ARG AAA HH22 c 1 ATOM 995 C C . ARG AAA 1 61 C . ARG 61 6.979 17.843 32.368 1.000 13.991 . 61 ARG AAA C . 1 ATOM 996 O O . ARG AAA 1 61 O . ARG 61 7.131 17.682 33.598 1.000 13.889 . 61 ARG AAA O . 1 ATOM 998 N N . TRP AAA 1 62 N . TRP 62 5.765 17.943 31.831 1.000 14.738 . 62 TRP AAA N . 1 ATOM 999 H H . TRP AAA 1 62 H . TRP 62 5.628 18.030 30.936 1.000 14.285 . 62 TRP AAA H c 1 ATOM 1000 C CA . TRP AAA 1 62 CA . TRP 62 4.513 17.970 32.620 1.000 13.623 . 62 TRP AAA CA . 1 ATOM 1001 H HA . TRP AAA 1 62 HA . TRP 62 4.747 17.774 33.555 1.000 14.111 . 62 TRP AAA HA c 1 ATOM 1002 C CB . TRP AAA 1 62 CB . TRP 62 3.862 19.337 32.594 1.000 14.779 . 62 TRP AAA CB . 1 ATOM 1003 H HB3 . TRP AAA 1 62 HB3 . TRP 62 3.107 19.324 33.217 1.000 14.895 . 62 TRP AAA HB3 c 1 ATOM 1004 H HB2 . TRP AAA 1 62 HB2 . TRP 62 3.501 19.484 31.696 1.000 14.898 . 62 TRP AAA HB2 c 1 ATOM 1005 C CG . TRP AAA 1 62 CG . TRP 62 4.752 20.477 32.944 1.000 16.579 . 62 TRP AAA CG . 1 ATOM 1006 C CD1 . TRP AAA 1 62 CD1 . TRP 62 5.069 21.510 32.123 1.000 17.150 . 62 TRP AAA CD1 . 1 ATOM 1007 H HD1 . TRP AAA 1 62 HD1 . TRP 62 4.784 21.607 31.228 1.000 17.483 . 62 TRP AAA HD1 c 1 ATOM 1008 N NE1 . TRP AAA 1 62 NE1 . TRP 62 5.907 22.370 32.771 1.000 18.402 . 62 TRP AAA NE1 . 1 ATOM 1009 H HE1 . TRP AAA 1 62 HE1 . TRP 62 6.228 23.110 32.426 1.000 18.262 . 62 TRP AAA HE1 c 1 ATOM 1010 C CE2 . TRP AAA 1 62 CE2 . TRP 62 6.109 21.950 34.065 1.000 18.869 . 62 TRP AAA CE2 . 1 ATOM 1011 C CD2 . TRP AAA 1 62 CD2 . TRP 62 5.416 20.731 34.207 1.000 18.126 . 62 TRP AAA CD2 . 1 ATOM 1012 C CE3 . TRP AAA 1 62 CE3 . TRP 62 5.464 20.052 35.416 1.000 18.570 . 62 TRP AAA CE3 . 1 ATOM 1013 H HE3 . TRP AAA 1 62 HE3 . TRP 62 4.985 19.248 35.540 1.000 18.777 . 62 TRP AAA HE3 c 1 ATOM 1014 C CZ3 . TRP AAA 1 62 CZ3 . TRP 62 6.191 20.604 36.432 1.000 20.136 . 62 TRP AAA CZ3 . 1 ATOM 1015 H HZ3 . TRP AAA 1 62 HZ3 . TRP 62 6.249 20.149 37.257 1.000 19.559 . 62 TRP AAA HZ3 c 1 ATOM 1016 C CH2 . TRP AAA 1 62 CH2 . TRP 62 6.927 21.788 36.252 1.000 20.060 . 62 TRP AAA CH2 . 1 ATOM 1017 H HH2 . TRP AAA 1 62 HH2 . TRP 62 7.416 22.138 36.976 1.000 20.050 . 62 TRP AAA HH2 c 1 ATOM 1018 C CZ2 . TRP AAA 1 62 CZ2 . TRP 62 6.877 22.499 35.071 1.000 21.167 . 62 TRP AAA CZ2 . 1 ATOM 1019 H HZ2 . TRP AAA 1 62 HZ2 . TRP 62 7.356 23.301 34.948 1.000 20.071 . 62 TRP AAA HZ2 c 1 ATOM 1020 C C . TRP AAA 1 62 C . TRP 62 3.463 16.948 32.166 1.000 13.934 . 62 TRP AAA C . 1 ATOM 1021 O O . TRP AAA 1 62 O . TRP 62 2.701 16.485 33.047 1.000 13.738 . 62 TRP AAA O . 1 ATOM 1023 N N . TRP AAA 1 63 N . TRP 63 3.372 16.620 30.888 1.000 13.401 . 63 TRP AAA N . 1 ATOM 1024 H H . TRP AAA 1 63 H . TRP 63 4.019 16.787 30.270 1.000 13.515 . 63 TRP AAA H c 1 ATOM 1025 C CA . TRP AAA 1 63 CA . TRP 63 2.179 15.913 30.351 1.000 13.357 . 63 TRP AAA CA . 1 ATOM 1026 H HA . TRP AAA 1 63 HA . TRP 63 1.456 16.026 31.011 1.000 13.250 . 63 TRP AAA HA c 1 ATOM 1027 C CB . TRP AAA 1 63 CB . TRP 63 1.746 16.637 29.104 1.000 12.541 . 63 TRP AAA CB . 1 ATOM 1028 H HB3 . TRP AAA 1 63 HB3 . TRP 63 0.878 16.293 28.820 1.000 12.702 . 63 TRP AAA HB3 c 1 ATOM 1029 H HB2 . TRP AAA 1 63 HB2 . TRP 63 2.398 16.469 28.396 1.000 12.703 . 63 TRP AAA HB2 c 1 ATOM 1030 C CG . TRP AAA 1 63 CG . TRP 63 1.651 18.098 29.369 1.000 12.424 . 63 TRP AAA CG . 1 ATOM 1031 C CD1 . TRP AAA 1 63 CD1 . TRP 63 2.495 19.095 28.935 1.000 12.271 . 63 TRP AAA CD1 . 1 ATOM 1032 H HD1 . TRP AAA 1 63 HD1 . TRP 63 3.270 18.978 28.407 1.000 12.533 . 63 TRP AAA HD1 c 1 ATOM 1033 N NE1 . TRP AAA 1 63 NE1 . TRP 63 2.070 20.289 29.461 1.000 12.868 . 63 TRP AAA NE1 . 1 ATOM 1034 H HE1 . TRP AAA 1 63 HE1 . TRP 63 2.449 21.061 29.315 1.000 12.811 . 63 TRP AAA HE1 c 1 ATOM 1035 C CE2 . TRP AAA 1 63 CE2 . TRP 63 0.937 20.094 30.194 1.000 12.969 . 63 TRP AAA CE2 . 1 ATOM 1036 C CD2 . TRP AAA 1 63 CD2 . TRP 63 0.646 18.711 30.182 1.000 12.072 . 63 TRP AAA CD2 . 1 ATOM 1037 C CE3 . TRP AAA 1 63 CE3 . TRP 63 -0.487 18.234 30.874 1.000 13.270 . 63 TRP AAA CE3 . 1 ATOM 1038 H HE3 . TRP AAA 1 63 HE3 . TRP 63 -0.697 17.314 30.876 1.000 13.230 . 63 TRP AAA HE3 c 1 ATOM 1039 C CZ3 . TRP AAA 1 63 CZ3 . TRP 63 -1.277 19.147 31.555 1.000 14.559 . 63 TRP AAA CZ3 . 1 ATOM 1040 H HZ3 . TRP AAA 1 63 HZ3 . TRP 63 -2.026 18.843 32.043 1.000 13.912 . 63 TRP AAA HZ3 c 1 ATOM 1041 C CH2 . TRP AAA 1 63 CH2 . TRP 63 -0.945 20.507 31.578 1.000 13.803 . 63 TRP AAA CH2 . 1 ATOM 1042 H HH2 . TRP AAA 1 63 HH2 . TRP 63 -1.503 21.100 32.050 1.000 13.636 . 63 TRP AAA HH2 c 1 ATOM 1043 C CZ2 . TRP AAA 1 63 CZ2 . TRP 63 0.155 21.021 30.907 1.000 12.852 . 63 TRP AAA CZ2 . 1 ATOM 1044 H HZ2 . TRP AAA 1 63 HZ2 . TRP 63 0.353 21.942 30.905 1.000 13.086 . 63 TRP AAA HZ2 c 1 ATOM 1045 C C . TRP AAA 1 63 C . TRP 63 2.296 14.416 30.047 1.000 13.590 . 63 TRP AAA C . 1 ATOM 1046 O O . TRP AAA 1 63 O . TRP 63 1.294 13.719 30.115 1.000 13.511 . 63 TRP AAA O . 1 ATOM 1048 N N . CYS AAA 1 64 N . CYS 64 3.470 13.882 29.712 1.000 14.285 . 64 CYS AAA N . 1 ATOM 1049 H H . CYS AAA 1 64 H . CYS 64 4.255 14.342 29.659 1.000 13.986 . 64 CYS AAA H c 1 ATOM 1050 C CA . CYS AAA 1 64 CA . CYS 64 3.599 12.467 29.383 1.000 13.740 . 64 CYS AAA CA . 1 ATOM 1051 H HA . CYS AAA 1 64 HA . CYS 64 2.862 11.984 29.815 1.000 13.686 . 64 CYS AAA HA c 1 ATOM 1052 C CB . CYS AAA 1 64 CB . CYS 64 3.496 12.241 27.874 1.000 13.671 . 64 CYS AAA CB . 1 ATOM 1053 H HB3 . CYS AAA 1 64 HB3 . CYS 64 2.625 12.563 27.563 1.000 13.392 . 64 CYS AAA HB3 c 1 ATOM 1054 H HB2 . CYS AAA 1 64 HB2 . CYS 64 3.540 11.280 27.693 1.000 13.393 . 64 CYS AAA HB2 c 1 ATOM 1055 S SG . CYS AAA 1 64 SG . CYS 64 4.793 13.065 26.898 1.000 12.460 . 64 CYS AAA SG . 1 ATOM 1056 C C . CYS AAA 1 64 C . CYS 64 4.911 11.907 29.910 1.000 13.005 . 64 CYS AAA C . 1 ATOM 1057 O O . CYS AAA 1 64 O . CYS 64 5.825 12.682 30.225 1.000 13.246 . 64 CYS AAA O . 1 ATOM 1059 N N . ASN AAA 1 65 N . ASN 65 4.986 10.593 29.983 1.000 13.933 . 65 ASN AAA N . 1 ATOM 1060 H H . ASN AAA 1 65 H . ASN 65 4.319 10.026 29.732 1.000 13.618 . 65 ASN AAA H c 1 ATOM 1061 C CA . ASN AAA 1 65 CA . ASN 65 6.210 9.956 30.495 1.000 13.541 . 65 ASN AAA CA . 1 ATOM 1062 H HA . ASN AAA 1 65 HA . ASN 65 6.727 10.623 31.003 1.000 13.742 . 65 ASN AAA HA c 1 ATOM 1063 C CB . ASN AAA 1 65 CB . ASN 65 5.879 8.812 31.436 1.000 14.441 . 65 ASN AAA CB . 1 ATOM 1064 H HB3 . ASN AAA 1 65 HB3 . ASN 65 5.252 8.200 30.998 1.000 14.199 . 65 ASN AAA HB3 c 1 ATOM 1065 H HB2 . ASN AAA 1 65 HB2 . ASN 65 5.457 9.166 32.245 1.000 14.196 . 65 ASN AAA HB2 c 1 ATOM 1066 C CG . ASN AAA 1 65 CG . ASN 65 7.148 8.067 31.804 1.000 14.316 . 65 ASN AAA CG . 1 ATOM 1067 O OD1 . ASN AAA 1 65 OD1 . ASN 65 7.230 6.863 31.507 1.000 16.398 . 65 ASN AAA OD1 . 1 ATOM 1068 N ND2 . ASN AAA 1 65 ND2 . ASN 65 8.115 8.746 32.400 1.000 15.385 . 65 ASN AAA ND2 . 1 ATOM 1069 H HD21 . ASN AAA 1 65 HD21 . ASN 65 8.864 8.340 32.624 0.000 15.240 . 65 ASN AAA HD21 c 1 ATOM 1070 H HD22 . ASN AAA 1 65 HD22 . ASN 65 8.010 9.608 32.559 0.000 15.240 . 65 ASN AAA HD22 c 1 ATOM 1071 C C . ASN AAA 1 65 C . ASN 65 7.073 9.415 29.373 1.000 13.293 . 65 ASN AAA C . 1 ATOM 1072 O O . ASN AAA 1 65 O . ASN 65 6.568 8.578 28.608 1.000 12.648 . 65 ASN AAA O . 1 ATOM 1074 N N . ASP AAA 1 66 N . ASP 66 8.317 9.857 29.257 1.000 13.509 . 66 ASP AAA N . 1 ATOM 1075 H H . ASP AAA 1 66 H . ASP 66 8.667 10.531 29.759 1.000 13.537 . 66 ASP AAA H c 1 ATOM 1076 C CA . ASP AAA 1 66 CA . ASP 66 9.228 9.281 28.247 1.000 13.846 . 66 ASP AAA CA . 1 ATOM 1077 H HA . ASP AAA 1 66 HA . ASP 66 8.724 8.593 27.754 1.000 13.498 . 66 ASP AAA HA c 1 ATOM 1078 C CB . ASP AAA 1 66 CB . ASP 66 9.668 10.313 27.222 1.000 12.661 . 66 ASP AAA CB . 1 ATOM 1079 H HB3 . ASP AAA 1 66 HB3 . ASP 66 8.875 10.698 26.801 1.000 13.098 . 66 ASP AAA HB3 c 1 ATOM 1080 H HB2 . ASP AAA 1 66 HB2 . ASP 66 10.184 9.858 26.526 1.000 13.103 . 66 ASP AAA HB2 c 1 ATOM 1081 C CG . ASP AAA 1 66 CG . ASP 66 10.520 11.459 27.756 1.000 13.384 . 66 ASP AAA CG . 1 ATOM 1082 O OD1 . ASP AAA 1 66 OD1 . ASP 66 10.896 11.447 28.972 1.000 11.650 . 66 ASP AAA OD1 . 1 ATOM 1083 O OD2 . ASP AAA 1 66 OD2 . ASP 66 10.856 12.331 26.944 1.000 12.174 . 66 ASP AAA OD2 . 1 ATOM 1084 C C . ASP AAA 1 66 C . ASP 66 10.419 8.578 28.919 1.000 13.590 . 66 ASP AAA C . 1 ATOM 1085 O O . ASP AAA 1 66 O . ASP 66 11.331 8.142 28.224 1.000 14.813 . 66 ASP AAA O . 1 ATOM 1087 N N . GLY AAA 1 67 N . GLY 67 10.437 8.535 30.244 1.000 13.607 . 67 GLY AAA N . 1 ATOM 1088 H H . GLY AAA 1 67 H . GLY 67 9.808 8.942 30.753 1.000 13.617 . 67 GLY AAA H c 1 ATOM 1089 C CA . GLY AAA 1 67 CA . GLY 67 11.471 7.852 31.017 1.000 13.648 . 67 GLY AAA CA . 1 ATOM 1090 H HA3 . GLY AAA 1 67 HA3 . GLY 67 11.575 6.933 30.664 1.000 13.969 . 67 GLY AAA HA3 c 1 ATOM 1091 H HA2 . GLY AAA 1 67 HA2 . GLY 67 11.168 7.780 31.957 1.000 13.969 . 67 GLY AAA HA2 c 1 ATOM 1092 C C . GLY AAA 1 67 C . GLY 67 12.829 8.555 30.984 1.000 15.112 . 67 GLY AAA C . 1 ATOM 1093 O O . GLY AAA 1 67 O . GLY 67 13.787 8.006 31.546 1.000 14.903 . 67 GLY AAA O . 1 ATOM 1095 N N . ARG AAA 1 68 N . ARG 68 12.932 9.742 30.375 1.000 15.411 . 68 ARG AAA N . 1 ATOM 1096 H H . ARG AAA 1 68 H . ARG 68 12.243 10.189 29.983 1.000 15.167 . 68 ARG AAA H c 1 ATOM 1097 C CA . ARG AAA 1 68 CA . ARG 68 14.247 10.425 30.337 1.000 14.706 . 68 ARG AAA CA . 1 ATOM 1098 H HA . ARG AAA 1 68 HA . ARG 68 14.822 10.019 31.026 1.000 15.016 . 68 ARG AAA HA c 1 ATOM 1099 C CB . ARG AAA 1 68 CB . ARG 68 14.885 10.165 28.972 1.000 15.524 . 68 ARG AAA CB . 1 ATOM 1100 H HB3 . ARG AAA 1 68 HB3 . ARG 68 14.824 9.207 28.773 1.000 15.661 . 68 ARG AAA HB3 c 1 ATOM 1101 H HB2 . ARG AAA 1 68 HB2 . ARG 68 15.833 10.407 29.017 1.000 15.668 . 68 ARG AAA HB2 c 1 ATOM 1102 C CG . ARG AAA 1 68 CG . ARG 68 14.222 10.946 27.852 1.000 17.002 . 68 ARG AAA CG . 1 ATOM 1103 H HG3 . ARG AAA 1 68 HG3 . ARG 68 14.079 11.875 28.122 1.000 16.765 . 68 ARG AAA HG3 c 1 ATOM 1104 H HG2 . ARG AAA 1 68 HG2 . ARG 68 13.354 10.546 27.632 1.000 16.771 . 68 ARG AAA HG2 c 1 ATOM 1105 C CD . ARG AAA 1 68 CD . ARG 68 15.119 10.906 26.641 1.000 17.577 . 68 ARG AAA CD . 1 ATOM 1106 H HD3 . ARG AAA 1 68 HD3 . ARG 68 15.066 10.013 26.239 1.000 17.525 . 68 ARG AAA HD3 c 1 ATOM 1107 H HD2 . ARG AAA 1 68 HD2 . ARG 68 16.047 11.053 26.921 1.000 17.510 . 68 ARG AAA HD2 c 1 ATOM 1108 N NE . ARG AAA 1 68 NE . ARG 68 14.769 11.890 25.648 1.000 17.912 . 68 ARG AAA NE . 1 ATOM 1109 H HE . ARG AAA 1 68 HE . ARG 68 14.225 12.528 25.887 1.000 18.528 . 68 ARG AAA HE c 1 ATOM 1110 C CZ . ARG AAA 1 68 CZ . ARG 68 15.247 11.926 24.404 1.000 20.775 . 68 ARG AAA CZ . 1 ATOM 1111 N NH1 . ARG AAA 1 68 NH1 . ARG 68 16.094 10.986 24.003 1.000 19.510 . 68 ARG AAA NH1 . 1 ATOM 1112 H HH11 . ARG AAA 1 68 HH11 . ARG 68 16.347 10.351 24.553 1.000 19.794 . 68 ARG AAA HH11 c 1 ATOM 1113 H HH12 . ARG AAA 1 68 HH12 . ARG 68 16.417 11.012 23.188 1.000 19.800 . 68 ARG AAA HH12 c 1 ATOM 1114 N NH2 . ARG AAA 1 68 NH2 . ARG 68 14.874 12.922 23.588 1.000 19.382 . 68 ARG AAA NH2 . 1 ATOM 1115 H HH21 . ARG AAA 1 68 HH21 . ARG 68 14.302 13.528 23.871 1.000 19.691 . 68 ARG AAA HH21 c 1 ATOM 1116 H HH22 . ARG AAA 1 68 HH22 . ARG 68 15.176 12.948 22.761 1.000 19.702 . 68 ARG AAA HH22 c 1 ATOM 1117 C C . ARG AAA 1 68 C . ARG 68 14.168 11.921 30.620 1.000 14.834 . 68 ARG AAA C . 1 ATOM 1118 O O . ARG AAA 1 68 O . ARG 68 14.988 12.697 30.122 1.000 15.780 . 68 ARG AAA O . 1 ATOM 1120 N N . THR AAA 1 69 N . THR 69 13.175 12.347 31.385 1.000 15.972 . 69 THR AAA N . 1 ATOM 1121 H H . THR AAA 1 69 H . THR 69 12.521 11.805 31.714 1.000 15.601 . 69 THR AAA H c 1 ATOM 1122 C CA . THR AAA 1 69 CA . THR 69 13.013 13.751 31.793 1.000 15.562 . 69 THR AAA CA . 1 ATOM 1123 H HA . THR AAA 1 69 HA . THR 69 13.802 14.265 31.511 1.000 15.930 . 69 THR AAA HA c 1 ATOM 1124 C CB . THR AAA 1 69 CB . THR 69 11.743 14.371 31.159 1.000 16.155 . 69 THR AAA CB . 1 ATOM 1125 H HB . THR AAA 1 69 HB . THR 69 10.964 13.988 31.626 1.000 15.423 . 69 THR AAA HB c 1 ATOM 1126 O OG1 . THR AAA 1 69 OG1 . THR 69 11.610 14.061 29.769 1.000 14.031 . 69 THR AAA OG1 . 1 ATOM 1127 H HG1 . THR AAA 1 69 HG1 . THR 69 10.901 14.426 29.459 0.000 14.120 . 69 THR AAA HG1 c 1 ATOM 1128 C CG2 . THR AAA 1 69 CG2 . THR 69 11.704 15.874 31.351 1.000 15.114 . 69 THR AAA CG2 . 1 ATOM 1129 H HG21 . THR AAA 1 69 HG21 . THR 69 11.810 16.086 32.295 1.000 15.433 . 69 THR AAA HG21 c 1 ATOM 1130 H HG22 . THR AAA 1 69 HG22 . THR 69 10.851 16.221 31.034 1.000 15.428 . 69 THR AAA HG22 c 1 ATOM 1131 H HG23 . THR AAA 1 69 HG23 . THR 69 12.429 16.284 30.845 1.000 15.428 . 69 THR AAA HG23 c 1 ATOM 1132 C C . THR AAA 1 69 C . THR 69 12.963 13.684 33.316 1.000 16.492 . 69 THR AAA C . 1 ATOM 1133 O O . THR AAA 1 69 O . THR 69 11.882 13.878 33.891 1.000 15.464 . 69 THR AAA O . 1 ATOM 1134 N N . PRO AAA 1 70 N . PRO 70 14.075 13.342 33.988 1.000 16.276 . 70 PRO AAA N . 1 ATOM 1135 C CA . PRO AAA 1 70 CA . PRO 70 14.076 13.174 35.446 1.000 17.249 . 70 PRO AAA CA . 1 ATOM 1136 H HA . PRO AAA 1 70 HA . PRO 70 13.577 12.350 35.672 1.000 16.789 . 70 PRO AAA HA c 1 ATOM 1137 C CB . PRO AAA 1 70 CB . PRO 70 15.564 12.966 35.787 1.000 16.463 . 70 PRO AAA CB . 1 ATOM 1138 H HB3 . PRO AAA 1 70 HB3 . PRO 70 15.779 12.012 35.867 1.000 16.729 . 70 PRO AAA HB3 c 1 ATOM 1139 H HB2 . PRO AAA 1 70 HB2 . PRO 70 15.803 13.420 36.624 1.000 16.729 . 70 PRO AAA HB2 c 1 ATOM 1140 C CG . PRO AAA 1 70 CG . PRO 70 16.277 13.583 34.618 1.000 16.822 . 70 PRO AAA CG . 1 ATOM 1141 H HG3 . PRO AAA 1 70 HG3 . PRO 70 17.179 13.213 34.525 1.000 16.940 . 70 PRO AAA HG3 c 1 ATOM 1142 H HG2 . PRO AAA 1 70 HG2 . PRO 70 16.342 14.554 34.721 1.000 16.940 . 70 PRO AAA HG2 c 1 ATOM 1143 C CD . PRO AAA 1 70 CD . PRO 70 15.426 13.227 33.421 1.000 17.704 . 70 PRO AAA CD . 1 ATOM 1144 H HD3 . PRO AAA 1 70 HD3 . PRO 70 15.606 12.320 33.112 1.000 17.145 . 70 PRO AAA HD3 c 1 ATOM 1145 H HD2 . PRO AAA 1 70 HD2 . PRO 70 15.564 13.854 32.689 1.000 17.143 . 70 PRO AAA HD2 c 1 ATOM 1146 C C . PRO AAA 1 70 C . PRO 70 13.431 14.372 36.140 1.000 16.626 . 70 PRO AAA C . 1 ATOM 1147 O O . PRO AAA 1 70 O . PRO 70 13.627 15.533 35.785 1.000 17.839 . 70 PRO AAA O . 1 ATOM 1149 N N . GLY AAA 1 71 N . GLY 71 12.574 14.083 37.092 1.000 16.376 . 71 GLY AAA N . 1 ATOM 1150 H H . GLY AAA 1 71 H . GLY 71 12.351 13.224 37.297 1.000 16.518 . 71 GLY AAA H c 1 ATOM 1151 C CA . GLY AAA 1 71 CA . GLY 71 11.883 15.091 37.926 1.000 16.721 . 71 GLY AAA CA . 1 ATOM 1152 H HA3 . GLY AAA 1 71 HA3 . GLY 71 12.504 15.840 38.107 1.000 16.879 . 71 GLY AAA HA3 c 1 ATOM 1153 H HA2 . GLY AAA 1 71 HA2 . GLY 71 11.644 14.678 38.793 1.000 16.878 . 71 GLY AAA HA2 c 1 ATOM 1154 C C . GLY AAA 1 71 C . GLY 71 10.628 15.630 37.268 1.000 17.764 . 71 GLY AAA C . 1 ATOM 1155 O O . GLY AAA 1 71 O . GLY 71 9.990 16.563 37.811 1.000 18.402 . 71 GLY AAA O . 1 ATOM 1157 N N . SER AAA 1 72 N . SER 72 10.226 15.070 36.132 1.000 16.514 . 72 SER AAA N . 1 ATOM 1158 H H . SER AAA 1 72 H . SER 72 10.620 14.349 35.740 1.000 16.850 . 72 SER AAA H c 1 ATOM 1159 C CA . SER AAA 1 72 CA . SER 72 9.045 15.567 35.383 1.000 16.728 . 72 SER AAA CA . 1 ATOM 1160 H HA . SER AAA 1 72 HA . SER 72 8.976 16.544 35.531 1.000 16.834 . 72 SER AAA HA c 1 ATOM 1161 C CB . SER AAA 1 72 CB . SER 72 9.241 15.322 33.888 1.000 17.283 . 72 SER AAA CB . 1 ATOM 1162 H HB3 . SER AAA 1 72 HB3 . SER 72 10.109 15.686 33.613 1.000 17.164 . 72 SER AAA HB3 c 1 ATOM 1163 H HB2 . SER AAA 1 72 HB2 . SER 72 8.544 15.794 33.390 1.000 17.149 . 72 SER AAA HB2 c 1 ATOM 1164 O OG . SER AAA 1 72 OG . SER 72 9.185 13.948 33.571 1.000 17.419 . 72 SER AAA OG . 1 ATOM 1165 H HG . SER AAA 1 72 HG . SER 72 9.300 13.863 32.728 0.000 17.330 . 72 SER AAA HG c 1 ATOM 1166 C C . SER AAA 1 72 C . SER 72 7.740 14.922 35.856 1.000 16.889 . 72 SER AAA C . 1 ATOM 1167 O O . SER AAA 1 72 O . SER 72 7.741 13.948 36.645 1.000 16.921 . 72 SER AAA O . 1 ATOM 1169 N N . ARG AAA 1 73 N . ARG 73 6.625 15.465 35.377 1.000 16.359 . 73 ARG AAA N . 1 ATOM 1170 H H . ARG AAA 1 73 H . ARG 73 6.612 16.195 34.832 1.000 16.663 . 73 ARG AAA H c 1 ATOM 1171 C CA . ARG AAA 1 73 CA . ARG 73 5.307 14.910 35.701 1.000 17.137 . 73 ARG AAA CA . 1 ATOM 1172 H HA . ARG AAA 1 73 HA . ARG 73 5.408 14.249 36.423 1.000 16.934 . 73 ARG AAA HA c 1 ATOM 1173 C CB . ARG AAA 1 73 CB . ARG 73 4.393 16.036 36.184 1.000 16.859 . 73 ARG AAA CB . 1 ATOM 1174 H HB3 . ARG AAA 1 73 HB3 . ARG 73 3.526 15.649 36.425 1.000 17.087 . 73 ARG AAA HB3 c 1 ATOM 1175 H HB2 . ARG AAA 1 73 HB2 . ARG 73 4.248 16.660 35.443 1.000 17.073 . 73 ARG AAA HB2 c 1 ATOM 1176 C CG . ARG AAA 1 73 CG . ARG 73 4.938 16.807 37.375 1.000 17.528 . 73 ARG AAA CG . 1 ATOM 1177 H HG3 . ARG AAA 1 73 HG3 . ARG 73 5.648 17.417 37.083 1.000 17.759 . 73 ARG AAA HG3 c 1 ATOM 1178 H HG2 . ARG AAA 1 73 HG2 . ARG 73 5.310 16.184 38.036 1.000 17.759 . 73 ARG AAA HG2 c 1 ATOM 1179 C CD . ARG AAA 1 73 CD . ARG 73 3.811 17.599 38.001 0.500 19.269 . 73 ARG AAA CD . 1 ATOM 1180 H HD3 . ARG AAA 1 73 HD3 . ARG 73 3.039 17.009 38.133 0.500 18.990 . 73 ARG AAA HD3 c 1 ATOM 1181 H HD2 . ARG AAA 1 73 HD2 . ARG 73 3.539 18.310 37.381 0.500 18.998 . 73 ARG AAA HD2 c 1 ATOM 1182 N NE . ARG AAA 1 73 NE . ARG 73 4.166 18.191 39.263 0.500 19.958 . 73 ARG AAA NE . 1 ATOM 1183 H HE . ARG AAA 1 73 HE . ARG 73 4.996 18.127 39.524 0.500 19.878 . 73 ARG AAA HE c 1 ATOM 1184 C CZ . ARG AAA 1 73 CZ . ARG 73 3.298 18.754 40.103 0.500 20.161 . 73 ARG AAA CZ . 1 ATOM 1185 N NH1 . ARG AAA 1 73 NH1 . ARG 73 2.025 18.884 39.778 0.500 21.568 . 73 ARG AAA NH1 . 1 ATOM 1186 H HH11 . ARG AAA 1 73 HH11 . ARG 73 1.732 18.554 39.017 0.500 21.019 . 73 ARG AAA HH11 c 1 ATOM 1187 H HH12 . ARG AAA 1 73 HH12 . ARG 73 1.468 19.271 40.337 0.500 21.019 . 73 ARG AAA HH12 c 1 ATOM 1188 N NH2 . ARG AAA 1 73 NH2 . ARG 73 3.729 19.251 41.237 0.500 19.849 . 73 ARG AAA NH2 . 1 ATOM 1189 H HH21 . ARG AAA 1 73 HH21 . ARG 73 4.581 19.181 41.451 0.500 19.982 . 73 ARG AAA HH21 c 1 ATOM 1190 H HH22 . ARG AAA 1 73 HH22 . ARG 73 3.164 19.645 41.786 0.500 19.982 . 73 ARG AAA HH22 c 1 ATOM 1191 C C . ARG AAA 1 73 C . ARG 73 4.734 14.209 34.466 1.000 17.144 . 73 ARG AAA C . 1 ATOM 1192 O O . ARG AAA 1 73 O . ARG 73 5.281 14.332 33.373 1.000 15.736 . 73 ARG AAA O . 1 ATOM 1194 N N . ASN AAA 1 74 N . ASN 74 3.614 13.518 34.657 1.000 16.602 . 74 ASN AAA N . 1 ATOM 1195 H H . ASN AAA 1 74 H . ASN 74 3.211 13.466 35.473 1.000 16.807 . 74 ASN AAA H c 1 ATOM 1196 C CA . ASN AAA 1 74 CA . ASN 74 2.908 12.759 33.604 1.000 16.960 . 74 ASN AAA CA . 1 ATOM 1197 H HA . ASN AAA 1 74 HA . ASN 74 3.168 13.105 32.718 1.000 16.235 . 74 ASN AAA HA c 1 ATOM 1198 C CB . ASN AAA 1 74 CB . ASN 74 3.273 11.274 33.684 1.000 16.059 . 74 ASN AAA CB . 1 ATOM 1199 H HB3 . ASN AAA 1 74 HB3 . ASN 74 3.085 10.953 34.590 1.000 16.078 . 74 ASN AAA HB3 c 1 ATOM 1200 H HB2 . ASN AAA 1 74 HB2 . ASN 74 4.234 11.179 33.526 1.000 16.083 . 74 ASN AAA HB2 c 1 ATOM 1201 C CG . ASN AAA 1 74 CG . ASN 74 2.528 10.403 32.694 1.000 15.289 . 74 ASN AAA CG . 1 ATOM 1202 O OD1 . ASN AAA 1 74 OD1 . ASN 74 1.987 10.939 31.734 1.000 14.241 . 74 ASN AAA OD1 . 1 ATOM 1203 N ND2 . ASN AAA 1 74 ND2 . ASN 74 2.510 9.084 32.919 1.000 13.731 . 74 ASN AAA ND2 . 1 ATOM 1204 H HD21 . ASN AAA 1 74 HD21 . ASN 74 2.084 8.555 32.354 0.000 13.580 . 74 ASN AAA HD21 c 1 ATOM 1205 H HD22 . ASN AAA 1 74 HD22 . ASN 74 2.917 8.757 33.622 0.000 13.580 . 74 ASN AAA HD22 c 1 ATOM 1206 C C . ASN AAA 1 74 C . ASN 74 1.410 12.989 33.828 1.000 14.562 . 74 ASN AAA C . 1 ATOM 1207 O O . ASN AAA 1 74 O . ASN 74 0.668 12.051 34.105 1.000 14.963 . 74 ASN AAA O . 1 ATOM 1209 N N . LEU AAA 1 75 N . LEU 75 1.000 14.259 33.740 1.000 16.981 . 75 LEU AAA N . 1 ATOM 1210 H H . LEU AAA 1 75 H . LEU 75 1.546 14.944 33.490 1.000 16.125 . 75 LEU AAA H c 1 ATOM 1211 C CA . LEU AAA 1 75 CA . LEU 75 -0.398 14.648 34.030 1.000 15.909 . 75 LEU AAA CA . 1 ATOM 1212 H HA . LEU AAA 1 75 HA . LEU 75 -0.614 14.293 34.920 1.000 15.900 . 75 LEU AAA HA c 1 ATOM 1213 C CB . LEU AAA 1 75 CB . LEU 75 -0.493 16.165 34.086 1.000 14.840 . 75 LEU AAA CB . 1 ATOM 1214 H HB3 . LEU AAA 1 75 HB3 . LEU 75 -1.434 16.425 34.145 1.000 15.499 . 75 LEU AAA HB3 c 1 ATOM 1215 H HB2 . LEU AAA 1 75 HB2 . LEU 75 -0.123 16.540 33.262 1.000 15.500 . 75 LEU AAA HB2 c 1 ATOM 1216 C CG . LEU AAA 1 75 CG . LEU 75 0.266 16.740 35.289 1.000 16.645 . 75 LEU AAA CG . 1 ATOM 1217 H HG . LEU AAA 1 75 HG . LEU 75 1.199 16.418 35.247 1.000 15.923 . 75 LEU AAA HG c 1 ATOM 1218 C CD1 . LEU AAA 1 75 CD1 . LEU 75 0.294 18.257 35.255 1.000 15.853 . 75 LEU AAA CD1 . 1 ATOM 1219 H HD11 . LEU AAA 1 75 HD11 . LEU 75 0.776 18.555 34.464 1.000 16.103 . 75 LEU AAA HD11 c 1 ATOM 1220 H HD12 . LEU AAA 1 75 HD12 . LEU 75 0.741 18.591 36.052 1.000 16.104 . 75 LEU AAA HD12 c 1 ATOM 1221 H HD13 . LEU AAA 1 75 HD13 . LEU 75 -0.617 18.598 35.228 1.000 16.097 . 75 LEU AAA HD13 c 1 ATOM 1222 C CD2 . LEU AAA 1 75 CD2 . LEU 75 -0.335 16.273 36.624 1.000 15.541 . 75 LEU AAA CD2 . 1 ATOM 1223 H HD21 . LEU AAA 1 75 HD21 . LEU 75 -1.295 16.436 36.623 1.000 15.873 . 75 LEU AAA HD21 c 1 ATOM 1224 H HD22 . LEU AAA 1 75 HD22 . LEU 75 0.076 16.768 37.355 1.000 15.873 . 75 LEU AAA HD22 c 1 ATOM 1225 H HD23 . LEU AAA 1 75 HD23 . LEU 75 -0.167 15.322 36.744 1.000 15.873 . 75 LEU AAA HD23 c 1 ATOM 1226 C C . LEU AAA 1 75 C . LEU 75 -1.417 14.070 33.063 1.000 15.956 . 75 LEU AAA C . 1 ATOM 1227 O O . LEU AAA 1 75 O . LEU 75 -2.623 14.084 33.411 1.000 15.694 . 75 LEU AAA O . 1 ATOM 1229 N N . CYS AAA 1 76 N . CYS 76 -1.005 13.617 31.884 1.000 15.349 . 76 CYS AAA N . 1 ATOM 1230 H H . CYS AAA 1 76 H . CYS 76 -0.148 13.633 31.578 1.000 15.333 . 76 CYS AAA H c 1 ATOM 1231 C CA . CYS AAA 1 76 CA . CYS 76 -1.972 13.055 30.917 1.000 14.702 . 76 CYS AAA CA . 1 ATOM 1232 H HA . CYS AAA 1 76 HA . CYS 76 -2.866 13.400 31.142 1.000 15.033 . 76 CYS AAA HA c 1 ATOM 1233 C CB . CYS AAA 1 76 CB . CYS 76 -1.655 13.462 29.484 1.000 15.526 . 76 CYS AAA CB . 1 ATOM 1234 H HB3 . CYS AAA 1 76 HB3 . CYS 76 -2.172 12.903 28.869 1.000 14.861 . 76 CYS AAA HB3 c 1 ATOM 1235 H HB2 . CYS AAA 1 76 HB2 . CYS 76 -0.708 13.307 29.304 1.000 14.859 . 76 CYS AAA HB2 c 1 ATOM 1236 S SG . CYS AAA 1 76 SG . CYS 76 -2.036 15.194 29.139 1.000 13.615 . 76 CYS AAA SG . 1 ATOM 1237 C C . CYS AAA 1 76 C . CYS 76 -1.976 11.539 31.121 1.000 14.984 . 76 CYS AAA C . 1 ATOM 1238 O O . CYS AAA 1 76 O . CYS 76 -2.701 10.845 30.446 1.000 14.667 . 76 CYS AAA O . 1 ATOM 1240 N N . ASN AAA 1 77 N . ASN 77 -1.162 11.061 32.065 1.000 14.550 . 77 ASN AAA N . 1 ATOM 1241 H H . ASN AAA 1 77 H . ASN 77 -0.623 11.587 32.568 1.000 14.738 . 77 ASN AAA H c 1 ATOM 1242 C CA . ASN AAA 1 77 CA . ASN 77 -1.042 9.624 32.385 1.000 14.896 . 77 ASN AAA CA . 1 ATOM 1243 H HA . ASN AAA 1 77 HA . ASN 77 -0.242 9.499 32.948 1.000 14.727 . 77 ASN AAA HA c 1 ATOM 1244 C CB A ASN AAA 1 77 CB . ASN 77 -2.266 9.148 33.198 0.500 14.326 . 77 ASN AAA CB . 1 ATOM 1245 H HB3 . ASN AAA 1 77 HB3 . ASN 77 -2.157 8.199 33.409 0.500 14.316 . 77 ASN AAA HB3 c 1 ATOM 1246 H HB2 . ASN AAA 1 77 HB2 . ASN 77 -3.069 9.246 32.646 0.500 14.315 . 77 ASN AAA HB2 c 1 ATOM 1247 C CG A ASN AAA 1 77 CG . ASN 77 -2.460 9.917 34.486 0.500 13.740 . 77 ASN AAA CG . 1 ATOM 1248 O OD1 A ASN AAA 1 77 OD1 . ASN 77 -1.616 9.847 35.396 0.500 14.171 . 77 ASN AAA OD1 . 1 ATOM 1249 N ND2 A ASN AAA 1 77 ND2 . ASN 77 -3.578 10.629 34.579 0.500 14.123 . 77 ASN AAA ND2 . 1 ATOM 1250 H HD21 . ASN AAA 1 77 HD21 . ASN 77 -3.743 11.108 35.307 0.000 13.830 . 77 ASN AAA HD21 c 1 ATOM 1251 H HD22 . ASN AAA 1 77 HD22 . ASN 77 -4.153 10.646 33.907 0.000 13.830 . 77 ASN AAA HD22 c 1 ATOM 1252 C C . ASN AAA 1 77 C . ASN 77 -0.901 8.756 31.146 1.000 14.930 . 77 ASN AAA C . 1 ATOM 1253 O O . ASN AAA 1 77 O . ASN 77 -1.642 7.775 30.992 1.000 13.622 . 77 ASN AAA O . 1 ATOM 1255 N N . ILE AAA 1 78 N . ILE 78 0.063 9.073 30.293 1.000 14.633 . 78 ILE AAA N . 1 ATOM 1256 H H . ILE AAA 1 78 H . ILE 78 0.631 9.775 30.416 1.000 14.911 . 78 ILE AAA H c 1 ATOM 1257 C CA . ILE AAA 1 78 CA . ILE 78 0.302 8.297 29.050 1.000 15.521 . 78 ILE AAA CA . 1 ATOM 1258 H HA . ILE AAA 1 78 HA . ILE 78 -0.013 7.385 29.177 1.000 15.215 . 78 ILE AAA HA c 1 ATOM 1259 C CB . ILE AAA 1 78 CB . ILE 78 -0.444 8.924 27.863 1.000 15.047 . 78 ILE AAA CB . 1 ATOM 1260 H HB . ILE AAA 1 78 HB . ILE 78 -0.110 8.479 27.045 1.000 15.300 . 78 ILE AAA HB c 1 ATOM 1261 C CG1 . ILE AAA 1 78 CG1 . ILE 78 -0.090 10.399 27.737 1.000 15.935 . 78 ILE AAA CG1 . 1 ATOM 1262 H HG12 . ILE AAA 1 78 HG12 . ILE 78 0.879 10.502 27.838 1.000 15.797 . 78 ILE AAA HG12 c 1 ATOM 1263 H HG13 . ILE AAA 1 78 HG13 . ILE 78 -0.519 10.886 28.473 1.000 15.799 . 78 ILE AAA HG13 c 1 ATOM 1264 C CG2 . ILE AAA 1 78 CG2 . ILE 78 -1.950 8.662 27.932 1.000 15.032 . 78 ILE AAA CG2 . 1 ATOM 1265 H HG21 . ILE AAA 1 78 HG21 . ILE 78 -2.112 7.704 27.989 1.000 15.037 . 78 ILE AAA HG21 c 1 ATOM 1266 H HG22 . ILE AAA 1 78 HG22 . ILE 78 -2.381 9.014 27.133 1.000 15.041 . 78 ILE AAA HG22 c 1 ATOM 1267 C CD1 . ILE AAA 1 78 CD1 . ILE 78 -0.501 11.042 26.435 1.000 16.288 . 78 ILE AAA CD1 . 1 ATOM 1268 H HD11 . ILE AAA 1 78 HD11 . ILE 78 -0.071 10.582 25.694 1.000 16.172 . 78 ILE AAA HD11 c 1 ATOM 1269 H HD12 . ILE AAA 1 78 HD12 . ILE 78 -0.231 11.977 26.436 1.000 16.173 . 78 ILE AAA HD12 c 1 ATOM 1270 H HD13 . ILE AAA 1 78 HD13 . ILE 78 -1.466 10.986 26.334 1.000 16.169 . 78 ILE AAA HD13 c 1 ATOM 1271 H HG23 . ILE AAA 1 78 HG23 . ILE 78 -2.323 9.098 28.716 1.000 15.034 . 78 ILE AAA HG23 c 1 ATOM 1272 C C . ILE AAA 1 78 C . ILE 78 1.781 8.276 28.730 1.000 15.360 . 78 ILE AAA C . 1 ATOM 1273 O O . ILE AAA 1 78 O . ILE 78 2.545 9.185 29.084 1.000 13.865 . 78 ILE AAA O . 1 ATOM 1274 N N . PRO AAA 1 79 N . PRO 79 2.259 7.221 28.043 1.000 14.795 . 79 PRO AAA N . 1 ATOM 1275 C CA . PRO AAA 1 79 CA . PRO 79 3.646 7.222 27.595 1.000 14.041 . 79 PRO AAA CA . 1 ATOM 1276 H HA . PRO AAA 1 79 HA . PRO 79 4.258 7.486 28.327 1.000 14.236 . 79 PRO AAA HA c 1 ATOM 1277 C CB . PRO AAA 1 79 CB . PRO 79 3.899 5.787 27.150 1.000 14.133 . 79 PRO AAA CB . 1 ATOM 1278 H HB3 . PRO AAA 1 79 HB3 . PRO 79 4.201 5.228 27.896 1.000 14.133 . 79 PRO AAA HB3 c 1 ATOM 1279 H HB2 . PRO AAA 1 79 HB2 . PRO 79 4.559 5.747 26.426 1.000 14.131 . 79 PRO AAA HB2 c 1 ATOM 1280 C CG . PRO AAA 1 79 CG . PRO 79 2.533 5.368 26.671 1.000 14.212 . 79 PRO AAA CG . 1 ATOM 1281 H HG3 . PRO AAA 1 79 HG3 . PRO 79 2.455 4.392 26.643 1.000 13.968 . 79 PRO AAA HG3 c 1 ATOM 1282 H HG2 . PRO AAA 1 79 HG2 . PRO 79 2.344 5.730 25.782 1.000 13.969 . 79 PRO AAA HG2 c 1 ATOM 1283 C CD . PRO AAA 1 79 CD . PRO 79 1.597 5.961 27.717 1.000 13.276 . 79 PRO AAA CD . 1 ATOM 1284 H HD3 . PRO AAA 1 79 HD3 . PRO 79 1.528 5.385 28.500 1.000 13.840 . 79 PRO AAA HD3 c 1 ATOM 1285 H HD2 . PRO AAA 1 79 HD2 . PRO 79 0.707 6.113 27.349 1.000 13.845 . 79 PRO AAA HD2 c 1 ATOM 1286 C C . PRO AAA 1 79 C . PRO 79 3.669 8.221 26.434 1.000 14.253 . 79 PRO AAA C . 1 ATOM 1287 O O . PRO AAA 1 79 O . PRO 79 2.720 8.338 25.660 1.000 13.866 . 79 PRO AAA O . 1 ATOM 1289 N N . CYS AAA 1 80 N . CYS 80 4.749 8.987 26.349 1.000 13.160 . 80 CYS AAA N . 1 ATOM 1290 H H . CYS AAA 1 80 H . CYS 80 5.471 8.945 26.903 1.000 13.370 . 80 CYS AAA H c 1 ATOM 1291 C CA . CYS AAA 1 80 CA . CYS 80 4.860 10.010 25.299 1.000 12.999 . 80 CYS AAA CA . 1 ATOM 1292 H HA . CYS AAA 1 80 HA . CYS 80 4.109 10.635 25.418 1.000 12.986 . 80 CYS AAA HA c 1 ATOM 1293 C CB . CYS AAA 1 80 CB . CYS 80 6.150 10.804 25.419 1.000 12.164 . 80 CYS AAA CB . 1 ATOM 1294 H HB3 . CYS AAA 1 80 HB3 . CYS 80 6.199 11.432 24.672 1.000 12.199 . 80 CYS AAA HB3 c 1 ATOM 1295 H HB2 . CYS AAA 1 80 HB2 . CYS 80 6.906 10.187 25.334 1.000 12.205 . 80 CYS AAA HB2 c 1 ATOM 1296 S SG . CYS AAA 1 80 SG . CYS 80 6.358 11.740 26.958 1.000 11.550 . 80 CYS AAA SG . 1 ATOM 1297 C C . CYS AAA 1 80 C . CYS 80 4.724 9.369 23.915 1.000 13.643 . 80 CYS AAA C . 1 ATOM 1298 O O . CYS AAA 1 80 O . CYS 80 4.236 10.028 22.968 1.000 13.155 . 80 CYS AAA O . 1 ATOM 1300 N N . SER AAA 1 81 N . SER 81 5.147 8.138 23.767 1.000 13.398 . 81 SER AAA N . 1 ATOM 1301 H H . SER AAA 1 81 H . SER 81 5.550 7.641 24.415 1.000 13.494 . 81 SER AAA H c 1 ATOM 1302 C CA . SER AAA 1 81 CA . SER 81 5.032 7.431 22.465 1.000 13.553 . 81 SER AAA CA . 1 ATOM 1303 H HA . SER AAA 1 81 HA . SER 81 5.549 7.946 21.788 1.000 13.571 . 81 SER AAA HA c 1 ATOM 1304 C CB . SER AAA 1 81 CB . SER 81 5.626 6.050 22.572 1.000 13.986 . 81 SER AAA CB . 1 ATOM 1305 H HB3 . SER AAA 1 81 HB3 . SER 81 6.586 6.128 22.775 1.000 13.893 . 81 SER AAA HB3 c 1 ATOM 1306 H HB2 . SER AAA 1 81 HB2 . SER 81 5.538 5.595 21.704 1.000 13.893 . 81 SER AAA HB2 c 1 ATOM 1307 O OG . SER AAA 1 81 OG . SER 81 5.000 5.268 23.574 1.000 14.027 . 81 SER AAA OG . 1 ATOM 1308 H HG . SER AAA 1 81 HG . SER 81 5.380 4.508 23.588 0.000 14.010 . 81 SER AAA HG c 1 ATOM 1309 C C . SER AAA 1 81 C . SER 81 3.563 7.368 22.005 1.000 13.378 . 81 SER AAA C . 1 ATOM 1310 O O . SER AAA 1 81 O . SER 81 3.335 7.264 20.811 1.000 13.576 . 81 SER AAA O . 1 ATOM 1312 N N . ALA AAA 1 82 N . ALA 82 2.600 7.334 22.901 1.000 13.723 . 82 ALA AAA N . 1 ATOM 1313 H H . ALA AAA 1 82 H . ALA 82 2.743 7.331 23.801 1.000 13.676 . 82 ALA AAA H c 1 ATOM 1314 C CA . ALA AAA 1 82 CA . ALA 82 1.165 7.274 22.550 1.000 13.862 . 82 ALA AAA CA . 1 ATOM 1315 H HA . ALA AAA 1 82 HA . ALA 82 1.010 6.502 21.957 1.000 13.897 . 82 ALA AAA HA c 1 ATOM 1316 C CB . ALA AAA 1 82 CB . ALA 82 0.330 7.117 23.809 1.000 14.636 . 82 ALA AAA CB . 1 ATOM 1317 H HB3 . ALA AAA 1 82 HB3 . ALA 82 0.457 7.892 24.382 1.000 14.397 . 82 ALA AAA HB3 c 1 ATOM 1318 H HB2 . ALA AAA 1 82 HB2 . ALA 82 0.605 6.315 24.283 1.000 14.397 . 82 ALA AAA HB2 c 1 ATOM 1319 H HB1 . ALA AAA 1 82 HB1 . ALA 82 -0.609 7.045 23.569 1.000 14.413 . 82 ALA AAA HB1 c 1 ATOM 1320 C C . ALA AAA 1 82 C . ALA 82 0.787 8.565 21.804 1.000 13.444 . 82 ALA AAA C . 1 ATOM 1321 O O . ALA AAA 1 82 O . ALA 82 -0.248 8.606 21.146 1.000 14.586 . 82 ALA AAA O . 1 ATOM 1323 N N . LEU AAA 1 83 N . LEU 83 1.587 9.599 21.940 1.000 13.733 . 83 LEU AAA N . 1 ATOM 1324 H H . LEU AAA 1 83 H . LEU 83 2.321 9.585 22.475 1.000 13.557 . 83 LEU AAA H c 1 ATOM 1325 C CA . LEU AAA 1 83 CA . LEU 83 1.365 10.895 21.294 1.000 13.280 . 83 LEU AAA CA . 1 ATOM 1326 H HA . LEU AAA 1 83 HA . LEU 83 0.395 11.047 21.233 1.000 13.635 . 83 LEU AAA HA c 1 ATOM 1327 C CB . LEU AAA 1 83 CB . LEU 83 1.996 12.004 22.139 1.000 13.361 . 83 LEU AAA CB . 1 ATOM 1328 H HB3 . LEU AAA 1 83 HB3 . LEU 83 1.893 12.851 21.660 1.000 13.485 . 83 LEU AAA HB3 c 1 ATOM 1329 H HB2 . LEU AAA 1 83 HB2 . LEU 83 2.954 11.828 22.220 1.000 13.489 . 83 LEU AAA HB2 c 1 ATOM 1330 C CG . LEU AAA 1 83 CG . LEU 83 1.409 12.171 23.541 1.000 13.968 . 83 LEU AAA CG . 1 ATOM 1331 H HG . LEU AAA 1 83 HG . LEU 83 1.457 11.300 24.008 1.000 14.487 . 83 LEU AAA HG c 1 ATOM 1332 C CD1 . LEU AAA 1 83 CD1 . LEU 83 2.242 13.173 24.310 1.000 15.597 . 83 LEU AAA CD1 . 1 ATOM 1333 H HD11 . LEU AAA 1 83 HD11 . LEU 83 3.156 12.848 24.379 1.000 15.066 . 83 LEU AAA HD11 c 1 ATOM 1334 H HD12 . LEU AAA 1 83 HD12 . LEU 83 1.871 13.289 25.202 1.000 15.072 . 83 LEU AAA HD12 c 1 ATOM 1335 H HD13 . LEU AAA 1 83 HD13 . LEU 83 2.236 14.024 23.843 1.000 15.065 . 83 LEU AAA HD13 c 1 ATOM 1336 C CD2 . LEU AAA 1 83 CD2 . LEU 83 -0.069 12.595 23.446 1.000 15.822 . 83 LEU AAA CD2 . 1 ATOM 1337 H HD21 . LEU AAA 1 83 HD21 . LEU 83 -0.149 13.345 22.831 1.000 15.218 . 83 LEU AAA HD21 c 1 ATOM 1338 H HD22 . LEU AAA 1 83 HD22 . LEU 83 -0.388 12.862 24.326 1.000 15.227 . 83 LEU AAA HD22 c 1 ATOM 1339 H HD23 . LEU AAA 1 83 HD23 . LEU 83 -0.602 11.849 23.120 1.000 15.217 . 83 LEU AAA HD23 c 1 ATOM 1340 C C . LEU AAA 1 83 C . LEU 83 1.932 10.868 19.885 1.000 14.610 . 83 LEU AAA C . 1 ATOM 1341 O O . LEU AAA 1 83 O . LEU 83 1.793 11.891 19.182 1.000 14.171 . 83 LEU AAA O . 1 ATOM 1343 N N . LEU AAA 1 84 N . LEU 84 2.539 9.772 19.453 1.000 14.683 . 84 LEU AAA N . 1 ATOM 1344 H H . LEU AAA 1 84 H . LEU 84 2.638 9.023 19.955 1.000 14.452 . 84 LEU AAA H c 1 ATOM 1345 C CA . LEU AAA 1 84 CA . LEU 84 3.148 9.680 18.107 1.000 13.837 . 84 LEU AAA CA . 1 ATOM 1346 H HA . LEU AAA 1 84 HA . LEU 84 3.172 10.579 17.718 1.000 14.059 . 84 LEU AAA HA c 1 ATOM 1347 C CB . LEU AAA 1 84 CB . LEU 84 4.577 9.167 18.272 1.000 13.978 . 84 LEU AAA CB . 1 ATOM 1348 H HB3 . LEU AAA 1 84 HB3 . LEU 84 4.976 9.106 17.381 1.000 13.787 . 84 LEU AAA HB3 c 1 ATOM 1349 H HB2 . LEU AAA 1 84 HB2 . LEU 84 4.528 8.256 18.626 1.000 13.786 . 84 LEU AAA HB2 c 1 ATOM 1350 C CG . LEU AAA 1 84 CG . LEU 84 5.527 9.959 19.154 1.000 13.317 . 84 LEU AAA CG . 1 ATOM 1351 H HG . LEU AAA 1 84 HG . LEU 84 5.153 10.007 20.069 1.000 13.600 . 84 LEU AAA HG c 1 ATOM 1352 C CD1 . LEU AAA 1 84 CD1 . LEU 84 6.887 9.237 19.207 1.000 14.194 . 84 LEU AAA CD1 . 1 ATOM 1353 H HD11 . LEU AAA 1 84 HD11 . LEU 84 6.767 8.345 19.576 1.000 13.677 . 84 LEU AAA HD11 c 1 ATOM 1354 H HD12 . LEU AAA 1 84 HD12 . LEU 84 7.501 9.741 19.769 1.000 13.861 . 84 LEU AAA HD12 c 1 ATOM 1355 H HD13 . LEU AAA 1 84 HD13 . LEU 84 7.254 9.169 18.308 1.000 13.861 . 84 LEU AAA HD13 c 1 ATOM 1356 C CD2 . LEU AAA 1 84 CD2 . LEU 84 5.702 11.378 18.613 1.000 13.285 . 84 LEU AAA CD2 . 1 ATOM 1357 H HD21 . LEU AAA 1 84 HD21 . LEU 84 5.999 11.339 17.688 1.000 13.292 . 84 LEU AAA HD21 c 1 ATOM 1358 H HD22 . LEU AAA 1 84 HD22 . LEU 84 6.366 11.849 19.146 1.000 13.286 . 84 LEU AAA HD22 c 1 ATOM 1359 H HD23 . LEU AAA 1 84 HD23 . LEU 84 4.854 11.853 18.662 1.000 13.292 . 84 LEU AAA HD23 c 1 ATOM 1360 C C . LEU AAA 1 84 C . LEU 84 2.321 8.788 17.201 1.000 14.062 . 84 LEU AAA C . 1 ATOM 1361 O O . LEU AAA 1 84 O . LEU 84 2.665 8.652 16.011 1.000 14.074 . 84 LEU AAA O . 1 ATOM 1363 N N . SER AAA 1 85 N . SER 85 1.256 8.196 17.730 1.000 13.904 . 85 SER AAA N . 1 ATOM 1364 H H . SER AAA 1 85 H . SER 85 0.993 8.313 18.593 1.000 13.976 . 85 SER AAA H c 1 ATOM 1365 C CA . SER AAA 1 85 CA . SER 85 0.357 7.277 16.987 1.000 14.051 . 85 SER AAA CA . 1 ATOM 1366 H HA . SER AAA 1 85 HA . SER 85 0.898 6.497 16.688 1.000 14.028 . 85 SER AAA HA c 1 ATOM 1367 C CB A SER AAA 1 85 CB . SER 85 -0.733 6.776 17.903 0.500 13.281 . 85 SER AAA CB . 1 ATOM 1368 H HB3 . SER AAA 1 85 HB3 . SER 85 -1.209 7.544 18.293 0.500 13.592 . 85 SER AAA HB3 c 1 ATOM 1369 H HB2 . SER AAA 1 85 HB2 . SER 85 -0.328 6.263 18.639 0.500 13.591 . 85 SER AAA HB2 c 1 ATOM 1370 O OG A SER AAA 1 85 OG . SER 85 -1.658 5.952 17.205 0.500 13.848 . 85 SER AAA OG . 1 ATOM 1371 H HG . SER AAA 1 85 HG . SER 85 -2.250 5.689 17.753 0.000 13.680 . 85 SER AAA HG c 1 ATOM 1372 C C . SER AAA 1 85 C . SER 85 -0.276 7.917 15.747 1.000 14.894 . 85 SER AAA C . 1 ATOM 1373 O O . SER AAA 1 85 O . SER 85 -0.286 9.152 15.593 1.000 13.904 . 85 SER AAA O . 1 ATOM 1375 N N . SER AAA 1 86 N . SER 86 -0.783 7.086 14.863 1.000 14.197 . 86 SER AAA N . 1 ATOM 1376 H H . SER AAA 1 86 H . SER 86 -0.726 6.178 14.922 1.000 14.291 . 86 SER AAA H c 1 ATOM 1377 C CA . SER AAA 1 86 CA . SER 86 -1.512 7.547 13.654 1.000 13.924 . 86 SER AAA CA . 1 ATOM 1378 H HA . SER AAA 1 86 HA . SER 86 -1.031 8.327 13.267 1.000 14.069 . 86 SER AAA HA c 1 ATOM 1379 C CB A SER AAA 1 86 CB . SER 86 -1.582 6.430 12.610 0.500 13.905 . 86 SER AAA CB . 1 ATOM 1380 H HB3 . SER AAA 1 86 HB3 . SER 86 -0.668 6.176 12.348 0.500 13.567 . 86 SER AAA HB3 c 1 ATOM 1381 H HB2 . SER AAA 1 86 HB2 . SER 86 -2.043 6.767 11.809 0.500 13.582 . 86 SER AAA HB2 c 1 ATOM 1382 O OG A SER AAA 1 86 OG . SER 86 -2.263 5.291 13.093 0.500 12.494 . 86 SER AAA OG . 1 ATOM 1383 H HG . SER AAA 1 86 HG . SER 86 -2.266 4.700 12.487 0.000 12.230 . 86 SER AAA HG c 1 ATOM 1384 C C . SER AAA 1 86 C . SER 86 -2.892 7.997 14.112 1.000 14.432 . 86 SER AAA C . 1 ATOM 1385 O O . SER AAA 1 86 O . SER 86 -3.538 8.797 13.433 1.000 14.671 . 86 SER AAA O . 1 ATOM 1387 N N . ASP AAA 1 87 N . ASP 87 -3.321 7.473 15.253 1.000 13.844 . 87 ASP AAA N . 1 ATOM 1388 H H . ASP AAA 1 87 H . ASP 87 -2.839 6.860 15.721 1.000 14.216 . 87 ASP AAA H c 1 ATOM 1389 C CA . ASP AAA 1 87 CA . ASP 87 -4.623 7.779 15.882 1.000 14.860 . 87 ASP AAA CA . 1 ATOM 1390 H HA . ASP AAA 1 87 HA . ASP 87 -5.279 8.018 15.186 1.000 14.504 . 87 ASP AAA HA c 1 ATOM 1391 C CB . ASP AAA 1 87 CB . ASP 87 -5.130 6.583 16.686 1.000 14.418 . 87 ASP AAA CB . 1 ATOM 1392 H HB3 . ASP AAA 1 87 HB3 . ASP 87 -4.503 6.396 17.414 1.000 14.795 . 87 ASP AAA HB3 c 1 ATOM 1393 H HB2 . ASP AAA 1 87 HB2 . ASP 87 -5.159 5.799 16.100 1.000 14.823 . 87 ASP AAA HB2 c 1 ATOM 1394 C CG . ASP AAA 1 87 CG . ASP 87 -6.516 6.781 17.283 1.000 15.576 . 87 ASP AAA CG . 1 ATOM 1395 O OD1 . ASP AAA 1 87 OD1 . ASP 87 -6.830 7.885 17.729 1.000 17.188 . 87 ASP AAA OD1 . 1 ATOM 1396 O OD2 . ASP AAA 1 87 OD2 . ASP 87 -7.289 5.841 17.252 1.000 18.256 . 87 ASP AAA OD2 . 1 ATOM 1397 C C . ASP AAA 1 87 C . ASP 87 -4.391 8.975 16.812 1.000 14.477 . 87 ASP AAA C . 1 ATOM 1398 O O . ASP AAA 1 87 O . ASP 87 -3.644 8.800 17.785 1.000 15.050 . 87 ASP AAA O . 1 ATOM 1400 N N . ILE AAA 1 88 N . ILE 88 -4.956 10.141 16.541 1.000 14.193 . 88 ILE AAA N . 1 ATOM 1401 H H . ILE AAA 1 88 H . ILE 88 -5.530 10.278 15.847 1.000 14.037 . 88 ILE AAA H c 1 ATOM 1402 C CA . ILE AAA 1 88 CA . ILE 88 -4.691 11.340 17.394 1.000 13.280 . 88 ILE AAA CA . 1 ATOM 1403 H HA . ILE AAA 1 88 HA . ILE 88 -3.755 11.301 17.654 1.000 13.514 . 88 ILE AAA HA c 1 ATOM 1404 C CB . ILE AAA 1 88 CB . ILE 88 -4.875 12.639 16.599 1.000 13.673 . 88 ILE AAA CB . 1 ATOM 1405 H HB . ILE AAA 1 88 HB . ILE 88 -4.559 13.386 17.165 1.000 13.657 . 88 ILE AAA HB c 1 ATOM 1406 C CG1 . ILE AAA 1 88 CG1 . ILE 88 -6.350 12.879 16.296 1.000 13.701 . 88 ILE AAA CG1 . 1 ATOM 1407 H HG12 . ILE AAA 1 88 HG12 . ILE 88 -6.876 12.702 17.104 1.000 13.759 . 88 ILE AAA HG12 c 1 ATOM 1408 H HG13 . ILE AAA 1 88 HG13 . ILE 88 -6.637 12.247 15.604 1.000 13.777 . 88 ILE AAA HG13 c 1 ATOM 1409 C CG2 . ILE AAA 1 88 CG2 . ILE 88 -4.054 12.639 15.336 1.000 13.969 . 88 ILE AAA CG2 . 1 ATOM 1410 H HG21 . ILE AAA 1 88 HG21 . ILE 88 -3.131 12.415 15.549 1.000 13.878 . 88 ILE AAA HG21 c 1 ATOM 1411 H HG22 . ILE AAA 1 88 HG22 . ILE 88 -4.085 13.520 14.925 1.000 13.878 . 88 ILE AAA HG22 c 1 ATOM 1412 C CD1 . ILE AAA 1 88 CD1 . ILE 88 -6.648 14.278 15.825 1.000 13.972 . 88 ILE AAA CD1 . 1 ATOM 1413 H HD11 . ILE AAA 1 88 HD11 . ILE 88 -6.319 14.919 16.480 1.000 13.888 . 88 ILE AAA HD11 c 1 ATOM 1414 H HD12 . ILE AAA 1 88 HD12 . ILE 88 -7.609 14.388 15.721 1.000 13.888 . 88 ILE AAA HD12 c 1 ATOM 1415 H HD13 . ILE AAA 1 88 HD13 . ILE 88 -6.211 14.435 14.971 1.000 13.888 . 88 ILE AAA HD13 c 1 ATOM 1416 H HG23 . ILE AAA 1 88 HG23 . ILE 88 -4.411 11.981 14.714 1.000 13.879 . 88 ILE AAA HG23 c 1 ATOM 1417 C C . ILE AAA 1 88 C . ILE 88 -5.511 11.407 18.687 1.000 13.221 . 88 ILE AAA C . 1 ATOM 1418 O O . ILE AAA 1 88 O . ILE 88 -5.400 12.413 19.411 1.000 12.892 . 88 ILE AAA O . 1 ATOM 1420 N N . THR AAA 1 89 N . THR 89 -6.269 10.380 19.048 1.000 13.188 . 89 THR AAA N . 1 ATOM 1421 H H . THR AAA 1 89 H . THR 89 -6.328 9.591 18.599 1.000 13.165 . 89 THR AAA H c 1 ATOM 1422 C CA . THR AAA 1 89 CA . THR 89 -7.128 10.438 20.262 1.000 13.032 . 89 THR AAA CA . 1 ATOM 1423 H HA . THR AAA 1 89 HA . THR 89 -7.832 11.106 20.093 1.000 13.142 . 89 THR AAA HA c 1 ATOM 1424 C CB . THR AAA 1 89 CB . THR 89 -7.808 9.095 20.545 1.000 13.539 . 89 THR AAA CB . 1 ATOM 1425 H HB . THR AAA 1 89 HB . THR 89 -7.100 8.412 20.631 1.000 13.460 . 89 THR AAA HB c 1 ATOM 1426 O OG1 . THR AAA 1 89 OG1 . THR 89 -8.696 8.692 19.491 1.000 13.774 . 89 THR AAA OG1 . 1 ATOM 1427 H HG1 . THR AAA 1 89 HG1 . THR 89 -9.053 7.948 19.695 0.000 13.590 . 89 THR AAA HG1 c 1 ATOM 1428 C CG2 . THR AAA 1 89 CG2 . THR 89 -8.555 9.166 21.855 1.000 13.411 . 89 THR AAA CG2 . 1 ATOM 1429 H HG21 . THR AAA 1 89 HG21 . THR 89 -7.921 9.211 22.594 1.000 13.449 . 89 THR AAA HG21 c 1 ATOM 1430 H HG22 . THR AAA 1 89 HG22 . THR 89 -9.111 8.371 21.954 1.000 13.450 . 89 THR AAA HG22 c 1 ATOM 1431 H HG23 . THR AAA 1 89 HG23 . THR 89 -9.122 9.959 21.864 1.000 13.450 . 89 THR AAA HG23 c 1 ATOM 1432 C C . THR AAA 1 89 C . THR 89 -6.316 10.904 21.491 1.000 12.956 . 89 THR AAA C . 1 ATOM 1433 O O . THR AAA 1 89 O . THR 89 -6.736 11.842 22.187 1.000 13.109 . 89 THR AAA O . 1 ATOM 1435 N N . ALA AAA 1 90 N . ALA 90 -5.168 10.294 21.742 1.000 12.927 . 90 ALA AAA N . 1 ATOM 1436 H H . ALA AAA 1 90 H . ALA 90 -4.805 9.652 21.207 1.000 12.833 . 90 ALA AAA H c 1 ATOM 1437 C CA . ALA AAA 1 90 CA . ALA 90 -4.336 10.592 22.934 1.000 12.505 . 90 ALA AAA CA . 1 ATOM 1438 H HA . ALA AAA 1 90 HA . ALA 90 -4.883 10.461 23.744 1.000 12.574 . 90 ALA AAA HA c 1 ATOM 1439 C CB . ALA AAA 1 90 CB . ALA 90 -3.136 9.643 22.982 1.000 12.369 . 90 ALA AAA CB . 1 ATOM 1440 H HB3 . ALA AAA 1 90 HB3 . ALA 90 -2.587 9.772 22.191 1.000 12.411 . 90 ALA AAA HB3 c 1 ATOM 1441 H HB2 . ALA AAA 1 90 HB2 . ALA 90 -3.450 8.724 23.011 1.000 12.411 . 90 ALA AAA HB2 c 1 ATOM 1442 H HB1 . ALA AAA 1 90 HB1 . ALA 90 -2.607 9.828 23.776 1.000 12.411 . 90 ALA AAA HB1 c 1 ATOM 1443 C C . ALA AAA 1 90 C . ALA 90 -3.883 12.049 22.878 1.000 12.582 . 90 ALA AAA C . 1 ATOM 1444 O O . ALA AAA 1 90 O . ALA 90 -3.885 12.713 23.898 1.000 13.184 . 90 ALA AAA O . 1 ATOM 1446 N N . SER AAA 1 91 N . SER 91 -3.385 12.495 21.724 1.000 12.848 . 91 SER AAA N . 1 ATOM 1447 H H . SER AAA 1 91 H . SER 91 -3.315 12.000 20.962 1.000 12.812 . 91 SER AAA H c 1 ATOM 1448 C CA . SER AAA 1 91 CA . SER 91 -2.875 13.877 21.580 1.000 12.955 . 91 SER AAA CA . 1 ATOM 1449 H HA . SER AAA 1 91 HA . SER 91 -2.179 14.019 22.274 1.000 12.852 . 91 SER AAA HA c 1 ATOM 1450 C CB . SER AAA 1 91 CB . SER 91 -2.237 14.088 20.213 1.000 13.091 . 91 SER AAA CB . 1 ATOM 1451 H HB3 . SER AAA 1 91 HB3 . SER 91 -2.190 15.054 20.030 1.000 13.236 . 91 SER AAA HB3 c 1 ATOM 1452 H HB2 . SER AAA 1 91 HB2 . SER 91 -2.813 13.683 19.526 1.000 13.237 . 91 SER AAA HB2 c 1 ATOM 1453 O OG . SER AAA 1 91 OG . SER 91 -0.944 13.541 20.104 1.000 13.874 . 91 SER AAA OG . 1 ATOM 1454 H HG . SER AAA 1 91 HG . SER 91 -0.649 13.688 19.322 0.000 13.970 . 91 SER AAA HG c 1 ATOM 1455 C C . SER AAA 1 91 C . SER 91 -4.003 14.863 21.840 1.000 12.348 . 91 SER AAA C . 1 ATOM 1456 O O . SER AAA 1 91 O . SER 91 -3.811 15.847 22.541 1.000 12.692 . 91 SER AAA O . 1 ATOM 1458 N N . VAL AAA 1 92 N . VAL 92 -5.204 14.563 21.317 1.000 12.858 . 92 VAL AAA N . 1 ATOM 1459 H H . VAL AAA 1 92 H . VAL 92 -5.374 13.831 20.802 1.000 12.690 . 92 VAL AAA H c 1 ATOM 1460 C CA . VAL AAA 1 92 CA . VAL 92 -6.360 15.455 21.553 1.000 12.670 . 92 VAL AAA CA . 1 ATOM 1461 H HA . VAL AAA 1 92 HA . VAL 92 -6.089 16.356 21.300 1.000 12.463 . 92 VAL AAA HA c 1 ATOM 1462 C CB . VAL AAA 1 92 CB . VAL 92 -7.556 15.062 20.663 1.000 12.109 . 92 VAL AAA CB . 1 ATOM 1463 H HB . VAL AAA 1 92 HB . VAL 92 -7.699 14.089 20.767 1.000 12.549 . 92 VAL AAA HB c 1 ATOM 1464 C CG1 . VAL AAA 1 92 CG1 . VAL 92 -8.828 15.781 21.147 1.000 13.104 . 92 VAL AAA CG1 . 1 ATOM 1465 H HG11 . VAL AAA 1 92 HG11 . VAL 92 -9.195 15.312 21.920 1.000 12.792 . 92 VAL AAA HG11 c 1 ATOM 1466 H HG12 . VAL AAA 1 92 HG12 . VAL 92 -9.489 15.790 20.431 1.000 12.802 . 92 VAL AAA HG12 c 1 ATOM 1467 H HG13 . VAL AAA 1 92 HG13 . VAL 92 -8.610 16.697 21.397 1.000 12.796 . 92 VAL AAA HG13 c 1 ATOM 1468 C CG2 . VAL AAA 1 92 CG2 . VAL 92 -7.283 15.335 19.213 1.000 12.896 . 92 VAL AAA CG2 . 1 ATOM 1469 H HG21 . VAL AAA 1 92 HG21 . VAL 92 -7.110 16.284 19.088 1.000 12.649 . 92 VAL AAA HG21 c 1 ATOM 1470 H HG22 . VAL AAA 1 92 HG22 . VAL 92 -8.055 15.074 18.681 1.000 12.650 . 92 VAL AAA HG22 c 1 ATOM 1471 H HG23 . VAL AAA 1 92 HG23 . VAL 92 -6.505 14.824 18.927 1.000 12.650 . 92 VAL AAA HG23 c 1 ATOM 1472 C C . VAL AAA 1 92 C . VAL 92 -6.770 15.493 23.009 1.000 11.971 . 92 VAL AAA C . 1 ATOM 1473 O O . VAL AAA 1 92 O . VAL 92 -7.004 16.592 23.536 1.000 13.284 . 92 VAL AAA O . 1 ATOM 1475 N N . ASN AAA 1 93 N . ASN 93 -6.917 14.332 23.658 1.000 12.608 . 93 ASN AAA N . 1 ATOM 1476 H H . ASN AAA 1 93 H . ASN 93 -6.749 13.520 23.282 1.000 12.576 . 93 ASN AAA H c 1 ATOM 1477 C CA . ASN AAA 1 93 CA . ASN 93 -7.368 14.293 25.060 1.000 13.089 . 93 ASN AAA CA . 1 ATOM 1478 H HA . ASN AAA 1 93 HA . ASN 93 -8.220 14.786 25.122 1.000 13.180 . 93 ASN AAA HA c 1 ATOM 1479 C CB . ASN AAA 1 93 CB . ASN 93 -7.625 12.858 25.540 1.000 14.848 . 93 ASN AAA CB . 1 ATOM 1480 H HB3 . ASN AAA 1 93 HB3 . ASN 93 -7.799 12.875 26.503 1.000 14.652 . 93 ASN AAA HB3 c 1 ATOM 1481 H HB2 . ASN AAA 1 93 HB2 . ASN 93 -6.815 12.328 25.390 1.000 14.656 . 93 ASN AAA HB2 c 1 ATOM 1482 C CG . ASN AAA 1 93 CG . ASN 93 -8.780 12.187 24.848 1.000 15.941 . 93 ASN AAA CG . 1 ATOM 1483 O OD1 . ASN AAA 1 93 OD1 . ASN 93 -9.576 12.899 24.222 1.000 19.461 . 93 ASN AAA OD1 . 1 ATOM 1484 N ND2 . ASN AAA 1 93 ND2 . ASN 93 -8.839 10.861 24.919 1.000 15.993 . 93 ASN AAA ND2 . 1 ATOM 1485 H HD21 . ASN AAA 1 93 HD21 . ASN 93 -9.501 10.430 24.530 0.000 15.750 . 93 ASN AAA HD21 c 1 ATOM 1486 H HD22 . ASN AAA 1 93 HD22 . ASN 93 -8.213 10.417 25.358 0.000 15.750 . 93 ASN AAA HD22 c 1 ATOM 1487 C C . ASN AAA 1 93 C . ASN 93 -6.348 14.986 25.958 1.000 12.365 . 93 ASN AAA C . 1 ATOM 1488 O O . ASN AAA 1 93 O . ASN 93 -6.743 15.664 26.924 1.000 12.900 . 93 ASN AAA O . 1 ATOM 1490 N N . CYS AAA 1 94 N . CYS 94 -5.062 14.898 25.614 1.000 12.259 . 94 CYS AAA N . 1 ATOM 1491 H H . CYS AAA 1 94 H . CYS 94 -4.729 14.443 24.897 1.000 12.222 . 94 CYS AAA H c 1 ATOM 1492 C CA . CYS AAA 1 94 CA . CYS 94 -4.044 15.563 26.426 1.000 11.987 . 94 CYS AAA CA . 1 ATOM 1493 H HA . CYS AAA 1 94 HA . CYS 94 -4.264 15.418 27.375 1.000 12.299 . 94 CYS AAA HA c 1 ATOM 1494 C CB . CYS AAA 1 94 CB . CYS 94 -2.681 14.955 26.143 1.000 12.897 . 94 CYS AAA CB . 1 ATOM 1495 H HB3 . CYS AAA 1 94 HB3 . CYS 94 -2.421 15.177 25.227 1.000 12.563 . 94 CYS AAA HB3 c 1 ATOM 1496 H HB2 . CYS AAA 1 94 HB2 . CYS 94 -2.752 13.981 26.204 1.000 12.562 . 94 CYS AAA HB2 c 1 ATOM 1497 S SG . CYS AAA 1 94 SG . CYS 94 -1.352 15.503 27.266 1.000 12.406 . 94 CYS AAA SG . 1 ATOM 1498 C C . CYS AAA 1 94 C . CYS 94 -4.074 17.049 26.137 1.000 12.445 . 94 CYS AAA C . 1 ATOM 1499 O O . CYS AAA 1 94 O . CYS 94 -3.942 17.836 27.068 1.000 12.538 . 94 CYS AAA O . 1 ATOM 1501 N N . ALA AAA 1 95 N . ALA 95 -4.212 17.422 24.890 1.000 13.735 . 95 ALA AAA N . 1 ATOM 1502 H H . ALA AAA 1 95 H . ALA 95 -4.286 16.855 24.180 1.000 13.232 . 95 ALA AAA H c 1 ATOM 1503 C CA . ALA AAA 1 95 CA . ALA 95 -4.245 18.842 24.515 1.000 12.948 . 95 ALA AAA CA . 1 ATOM 1504 H HA . ALA AAA 1 95 HA . ALA 95 -3.396 19.258 24.795 1.000 13.023 . 95 ALA AAA HA c 1 ATOM 1505 C CB . ALA AAA 1 95 CB . ALA 95 -4.393 18.999 23.041 1.000 13.197 . 95 ALA AAA CB . 1 ATOM 1506 H HB3 . ALA AAA 1 95 HB3 . ALA 95 -5.221 18.579 22.751 1.000 13.120 . 95 ALA AAA HB3 c 1 ATOM 1507 H HB2 . ALA AAA 1 95 HB2 . ALA 95 -3.642 18.576 22.592 1.000 13.120 . 95 ALA AAA HB2 c 1 ATOM 1508 H HB1 . ALA AAA 1 95 HB1 . ALA 95 -4.414 19.944 22.815 1.000 13.120 . 95 ALA AAA HB1 c 1 ATOM 1509 C C . ALA AAA 1 95 C . ALA 95 -5.395 19.536 25.254 1.000 12.346 . 95 ALA AAA C . 1 ATOM 1510 O O . ALA AAA 1 95 O . ALA 95 -5.263 20.727 25.626 1.000 11.947 . 95 ALA AAA O . 1 ATOM 1512 N N . LYS AAA 1 96 N . LYS 96 -6.514 18.850 25.428 1.000 12.529 . 96 LYS AAA N . 1 ATOM 1513 H H . LYS AAA 1 96 H . LYS 96 -6.630 18.000 25.122 1.000 12.563 . 96 LYS AAA H c 1 ATOM 1514 C CA . LYS AAA 1 96 CA . LYS 96 -7.679 19.409 26.113 1.000 12.845 . 96 LYS AAA CA . 1 ATOM 1515 H HA . LYS AAA 1 96 HA . LYS 96 -7.945 20.232 25.642 1.000 12.729 . 96 LYS AAA HA c 1 ATOM 1516 C CB . LYS AAA 1 96 CB . LYS 96 -8.851 18.439 26.095 1.000 12.901 . 96 LYS AAA CB . 1 ATOM 1517 H HB3 . LYS AAA 1 96 HB3 . LYS 96 -9.515 18.738 26.750 1.000 12.720 . 96 LYS AAA HB3 c 1 ATOM 1518 H HB2 . LYS AAA 1 96 HB2 . LYS 96 -8.532 17.556 26.373 1.000 12.721 . 96 LYS AAA HB2 c 1 ATOM 1519 C CG . LYS AAA 1 96 CG . LYS 96 -9.525 18.307 24.754 1.000 12.202 . 96 LYS AAA CG . 1 ATOM 1520 H HG3 . LYS AAA 1 96 HG3 . LYS 96 -8.873 17.985 24.098 1.000 12.528 . 96 LYS AAA HG3 c 1 ATOM 1521 H HG2 . LYS AAA 1 96 HG2 . LYS 96 -9.833 19.192 24.464 1.000 12.527 . 96 LYS AAA HG2 c 1 ATOM 1522 C CD . LYS AAA 1 96 CD . LYS 96 -10.697 17.365 24.790 1.000 12.901 . 96 LYS AAA CD . 1 ATOM 1523 H HD3 . LYS AAA 1 96 HD3 . LYS 96 -11.336 17.683 25.464 1.000 12.761 . 96 LYS AAA HD3 c 1 ATOM 1524 H HD2 . LYS AAA 1 96 HD2 . LYS 96 -10.382 16.480 25.072 1.000 12.761 . 96 LYS AAA HD2 c 1 ATOM 1525 C CE . LYS AAA 1 96 CE . LYS 96 -11.422 17.222 23.466 1.000 13.023 . 96 LYS AAA CE . 1 ATOM 1526 H HE3 . LYS AAA 1 96 HE3 . LYS 96 -10.783 17.007 22.760 1.000 13.434 . 96 LYS AAA HE3 c 1 ATOM 1527 H HE2 . LYS AAA 1 96 HE2 . LYS 96 -11.862 18.062 23.236 1.000 13.435 . 96 LYS AAA HE2 c 1 ATOM 1528 N NZ . LYS AAA 1 96 NZ . LYS 96 -12.451 16.129 23.554 1.000 15.004 . 96 LYS AAA NZ . 1 ATOM 1529 H HZ1 . LYS AAA 1 96 HZ1 . LYS 96 -12.048 15.343 23.762 1.000 14.364 . 96 LYS AAA HZ1 c 1 ATOM 1530 H HZ2 . LYS AAA 1 96 HZ2 . LYS 96 -12.878 16.043 22.759 1.000 14.364 . 96 LYS AAA HZ2 c 1 ATOM 1531 H HZ3 . LYS AAA 1 96 HZ3 . LYS 96 -13.059 16.330 24.197 1.000 14.364 . 96 LYS AAA HZ3 c 1 ATOM 1532 C C . LYS AAA 1 96 C . LYS 96 -7.288 19.774 27.533 1.000 12.501 . 96 LYS AAA C . 1 ATOM 1533 O O . LYS AAA 1 96 O . LYS 96 -7.709 20.793 28.050 1.000 12.071 . 96 LYS AAA O . 1 ATOM 1535 N N . LYS AAA 1 97 N . LYS 97 -6.479 18.947 28.165 1.000 13.103 . 97 LYS AAA N . 1 ATOM 1536 H H . LYS AAA 1 97 H . LYS 97 -6.152 18.179 27.803 1.000 13.251 . 97 LYS AAA H c 1 ATOM 1537 C CA . LYS AAA 1 97 CA . LYS 97 -6.058 19.222 29.546 1.000 14.341 . 97 LYS AAA CA . 1 ATOM 1538 H HA . LYS AAA 1 97 HA . LYS 97 -6.854 19.424 30.090 1.000 13.904 . 97 LYS AAA HA c 1 ATOM 1539 C CB . LYS AAA 1 97 CB . LYS 97 -5.337 18.030 30.138 1.000 15.209 . 97 LYS AAA CB . 1 ATOM 1540 H HB3 . LYS AAA 1 97 HB3 . LYS 97 -4.975 18.282 31.013 1.000 15.537 . 97 LYS AAA HB3 c 1 ATOM 1541 H HB2 . LYS AAA 1 97 HB2 . LYS 97 -4.586 17.793 29.556 1.000 15.532 . 97 LYS AAA HB2 c 1 ATOM 1542 C CG . LYS AAA 1 97 CG . LYS 97 -6.231 16.813 30.308 1.000 17.695 . 97 LYS AAA CG . 1 ATOM 1543 H HG3 . LYS AAA 1 97 HG3 . LYS 97 -6.376 16.408 29.428 1.000 17.577 . 97 LYS AAA HG3 c 1 ATOM 1544 H HG2 . LYS AAA 1 97 HG2 . LYS 97 -7.103 17.111 30.646 1.000 17.559 . 97 LYS AAA HG2 c 1 ATOM 1545 C CD . LYS AAA 1 97 CD . LYS 97 -5.678 15.763 31.242 1.000 19.935 . 97 LYS AAA CD . 1 ATOM 1546 H HD3 . LYS AAA 1 97 HD3 . LYS 97 -5.452 16.179 32.102 1.000 19.247 . 97 LYS AAA HD3 c 1 ATOM 1547 H HD2 . LYS AAA 1 97 HD2 . LYS 97 -4.858 15.385 30.859 1.000 19.252 . 97 LYS AAA HD2 c 1 ATOM 1548 C CE . LYS AAA 1 97 CE . LYS 97 -6.670 14.665 31.472 1.000 19.341 . 97 LYS AAA CE . 1 ATOM 1549 H HE3 . LYS AAA 1 97 HE3 . LYS 97 -7.546 15.048 31.667 1.000 20.313 . 97 LYS AAA HE3 c 1 ATOM 1550 H HE2 . LYS AAA 1 97 HE2 . LYS 97 -6.395 14.129 32.239 1.000 20.340 . 97 LYS AAA HE2 c 1 ATOM 1551 N NZ . LYS AAA 1 97 NZ . LYS 97 -6.778 13.789 30.284 1.000 23.142 . 97 LYS AAA NZ . 1 ATOM 1552 H HZ1 . LYS AAA 1 97 HZ1 . LYS 97 -7.148 14.246 29.594 1.000 21.874 . 97 LYS AAA HZ1 c 1 ATOM 1553 H HZ2 . LYS AAA 1 97 HZ2 . LYS 97 -7.302 13.073 30.477 1.000 21.890 . 97 LYS AAA HZ2 c 1 ATOM 1554 H HZ3 . LYS AAA 1 97 HZ3 . LYS 97 -5.955 13.495 30.040 1.000 21.882 . 97 LYS AAA HZ3 c 1 ATOM 1555 C C . LYS AAA 1 97 C . LYS 97 -5.122 20.413 29.567 1.000 12.587 . 97 LYS AAA C . 1 ATOM 1556 O O . LYS AAA 1 97 O . LYS 97 -5.259 21.272 30.449 1.000 12.767 . 97 LYS AAA O . 1 ATOM 1558 N N . ILE AAA 1 98 N . ILE 98 -4.185 20.479 28.619 1.000 13.857 . 98 ILE AAA N . 1 ATOM 1559 H H . ILE AAA 1 98 H . ILE 98 -4.111 19.881 27.937 1.000 13.337 . 98 ILE AAA H c 1 ATOM 1560 C CA . ILE AAA 1 98 CA . ILE 98 -3.202 21.588 28.597 1.000 13.017 . 98 ILE AAA CA . 1 ATOM 1561 H HA . ILE AAA 1 98 HA . ILE 98 -2.727 21.597 29.447 1.000 12.862 . 98 ILE AAA HA c 1 ATOM 1562 C CB . ILE AAA 1 98 CB . ILE 98 -2.176 21.352 27.461 1.000 11.438 . 98 ILE AAA CB . 1 ATOM 1563 H HB . ILE AAA 1 98 HB . ILE 98 -2.668 21.332 26.603 1.000 11.972 . 98 ILE AAA HB c 1 ATOM 1564 C CG1 . ILE AAA 1 98 CG1 . ILE 98 -1.433 20.038 27.608 1.000 12.359 . 98 ILE AAA CG1 . 1 ATOM 1565 H HG12 . ILE AAA 1 98 HG12 . ILE 98 -2.087 19.312 27.661 1.000 12.147 . 98 ILE AAA HG12 c 1 ATOM 1566 H HG13 . ILE AAA 1 98 HG13 . ILE 98 -0.943 20.056 28.453 1.000 12.143 . 98 ILE AAA HG13 c 1 ATOM 1567 C CG2 . ILE AAA 1 98 CG2 . ILE 98 -1.202 22.537 27.430 1.000 11.819 . 98 ILE AAA CG2 . 1 ATOM 1568 H HG21 . ILE AAA 1 98 HG21 . ILE 98 -1.691 23.360 27.252 1.000 11.704 . 98 ILE AAA HG21 c 1 ATOM 1569 H HG22 . ILE AAA 1 98 HG22 . ILE 98 -0.542 22.402 26.729 1.000 11.705 . 98 ILE AAA HG22 c 1 ATOM 1570 C CD1 . ILE AAA 1 98 CD1 . ILE 98 -0.459 19.720 26.496 1.000 12.373 . 98 ILE AAA CD1 . 1 ATOM 1571 H HD11 . ILE AAA 1 98 HD11 . ILE 98 -0.904 19.816 25.635 1.000 12.369 . 98 ILE AAA HD11 c 1 ATOM 1572 H HD12 . ILE AAA 1 98 HD12 . ILE 98 -0.141 18.805 26.595 1.000 12.370 . 98 ILE AAA HD12 c 1 ATOM 1573 H HD13 . ILE AAA 1 98 HD13 . ILE 98 0.298 20.330 26.539 1.000 12.366 . 98 ILE AAA HD13 c 1 ATOM 1574 H HG23 . ILE AAA 1 98 HG23 . ILE 98 -0.751 22.611 28.288 1.000 11.702 . 98 ILE AAA HG23 c 1 ATOM 1575 C C . ILE AAA 1 98 C . ILE 98 -3.915 22.931 28.417 1.000 13.072 . 98 ILE AAA C . 1 ATOM 1576 O O . ILE AAA 1 98 O . ILE 98 -3.686 23.861 29.163 1.000 13.164 . 98 ILE AAA O . 1 ATOM 1578 N N . VAL AAA 1 99 N . VAL 99 -4.746 23.028 27.394 1.000 13.559 . 99 VAL AAA N . 1 ATOM 1579 H H . VAL AAA 1 99 H . VAL 99 -4.936 22.336 26.834 1.000 13.390 . 99 VAL AAA H c 1 ATOM 1580 C CA . VAL AAA 1 99 CA . VAL 99 -5.440 24.287 27.076 1.000 13.361 . 99 VAL AAA CA . 1 ATOM 1581 H HA . VAL AAA 1 99 HA . VAL 99 -4.763 24.979 26.966 1.000 13.386 . 99 VAL AAA HA c 1 ATOM 1582 C CB . VAL AAA 1 99 CB . VAL 99 -6.197 24.159 25.766 1.000 12.779 . 99 VAL AAA CB . 1 ATOM 1583 H HB . VAL AAA 1 99 HB . VAL 99 -5.604 23.701 25.121 1.000 12.894 . 99 VAL AAA HB c 1 ATOM 1584 C CG1 . VAL AAA 1 99 CG1 . VAL 99 -7.462 23.310 25.933 1.000 12.577 . 99 VAL AAA CG1 . 1 ATOM 1585 H HG11 . VAL AAA 1 99 HG11 . VAL 99 -7.220 22.431 26.270 1.000 12.639 . 99 VAL AAA HG11 c 1 ATOM 1586 H HG12 . VAL AAA 1 99 HG12 . VAL 99 -7.902 23.214 25.071 1.000 12.641 . 99 VAL AAA HG12 c 1 ATOM 1587 H HG13 . VAL AAA 1 99 HG13 . VAL 99 -8.067 23.742 26.557 1.000 12.645 . 99 VAL AAA HG13 c 1 ATOM 1588 C CG2 . VAL AAA 1 99 CG2 . VAL 99 -6.531 25.555 25.197 1.000 13.034 . 99 VAL AAA CG2 . 1 ATOM 1589 H HG21 . VAL AAA 1 99 HG21 . VAL 99 -7.117 26.029 25.811 1.000 12.961 . 99 VAL AAA HG21 c 1 ATOM 1590 H HG22 . VAL AAA 1 99 HG22 . VAL 99 -6.978 25.456 24.338 1.000 12.957 . 99 VAL AAA HG22 c 1 ATOM 1591 H HG23 . VAL AAA 1 99 HG23 . VAL 99 -5.710 26.061 25.076 1.000 12.958 . 99 VAL AAA HG23 c 1 ATOM 1592 C C . VAL AAA 1 99 C . VAL 99 -6.369 24.711 28.224 1.000 13.915 . 99 VAL AAA C . 1 ATOM 1593 O O . VAL AAA 1 99 O . VAL 99 -6.809 25.876 28.266 1.000 14.733 . 99 VAL AAA O . 1 ATOM 1595 N N . SER AAA 1 100 N . SER 100 -6.702 23.793 29.121 1.000 14.292 . 100 SER AAA N . 1 ATOM 1596 H H . SER AAA 1 100 H . SER 100 -6.436 22.925 29.087 1.000 14.351 . 100 SER AAA H c 1 ATOM 1597 C CA . SER AAA 1 100 CA . SER 100 -7.599 24.071 30.273 1.000 14.966 . 100 SER AAA CA . 1 ATOM 1598 H HA . SER AAA 1 100 HA . SER 100 -8.229 24.796 30.013 1.000 14.854 . 100 SER AAA HA c 1 ATOM 1599 C CB . SER AAA 1 100 CB . SER 100 -8.398 22.845 30.618 1.000 15.348 . 100 SER AAA CB . 1 ATOM 1600 H HB3 . SER AAA 1 100 HB3 . SER 100 -8.993 23.057 31.372 1.000 15.398 . 100 SER AAA HB3 c 1 ATOM 1601 H HB2 . SER AAA 1 100 HB2 . SER 100 -7.781 22.139 30.916 1.000 15.396 . 100 SER AAA HB2 c 1 ATOM 1602 O OG . SER AAA 1 100 OG . SER 100 -9.180 22.348 29.544 1.000 15.978 . 100 SER AAA OG . 1 ATOM 1603 H HG . SER AAA 1 100 HG . SER 100 -9.598 21.663 29.816 0.000 16.000 . 100 SER AAA HG c 1 ATOM 1604 C C . SER AAA 1 100 C . SER 100 -6.829 24.522 31.510 1.000 14.703 . 100 SER AAA C . 1 ATOM 1605 O O . SER AAA 1 100 O . SER 100 -7.472 24.883 32.502 1.000 14.360 . 100 SER AAA O . 1 ATOM 1607 N N . ASP AAA 1 101 N . ASP 101 -5.502 24.486 31.503 1.000 14.875 . 101 ASP AAA N . 1 ATOM 1608 H H . ASP AAA 1 101 H . ASP 101 -5.006 24.306 30.762 1.000 14.964 . 101 ASP AAA H c 1 ATOM 1609 C CA . ASP AAA 1 101 CA . ASP 101 -4.707 24.749 32.734 1.000 15.454 . 101 ASP AAA CA . 1 ATOM 1610 H HA . ASP AAA 1 101 HA . ASP 101 -5.167 24.290 33.476 1.000 15.321 . 101 ASP AAA HA c 1 ATOM 1611 C CB . ASP AAA 1 101 CB . ASP 101 -3.332 24.132 32.636 1.000 15.574 . 101 ASP AAA CB . 1 ATOM 1612 H HB3 . ASP AAA 1 101 HB3 . ASP 101 -3.422 23.209 32.321 1.000 15.642 . 101 ASP AAA HB3 c 1 ATOM 1613 H HB2 . ASP AAA 1 101 HB2 . ASP 101 -2.946 24.109 33.532 1.000 15.668 . 101 ASP AAA HB2 c 1 ATOM 1614 C CG . ASP AAA 1 101 CG . ASP 101 -2.346 24.849 31.727 1.000 15.960 . 101 ASP AAA CG . 1 ATOM 1615 O OD1 . ASP AAA 1 101 OD1 . ASP 101 -2.678 25.928 31.186 1.000 17.066 . 101 ASP AAA OD1 . 1 ATOM 1616 O OD2 . ASP AAA 1 101 OD2 . ASP 101 -1.266 24.293 31.526 1.000 17.920 . 101 ASP AAA OD2 . 1 ATOM 1617 C C . ASP AAA 1 101 C . ASP 101 -4.580 26.232 33.130 1.000 15.240 . 101 ASP AAA C . 1 ATOM 1618 O O . ASP AAA 1 101 O . ASP 101 -3.912 26.513 34.142 1.000 15.264 . 101 ASP AAA O . 1 ATOM 1620 N N . GLY AAA 1 102 N . GLY 102 -5.154 27.171 32.394 1.000 15.825 . 102 GLY AAA N . 1 ATOM 1621 H H . GLY AAA 1 102 H . GLY 102 -5.611 26.999 31.626 1.000 15.450 . 102 GLY AAA H c 1 ATOM 1622 C CA . GLY AAA 1 102 CA . GLY 102 -5.071 28.587 32.777 1.000 14.855 . 102 GLY AAA CA . 1 ATOM 1623 H HA3 . GLY AAA 1 102 HA3 . GLY 102 -4.505 28.667 33.585 1.000 15.114 . 102 GLY AAA HA3 c 1 ATOM 1624 H HA2 . GLY AAA 1 102 HA2 . GLY 102 -5.978 28.898 33.022 1.000 15.114 . 102 GLY AAA HA2 c 1 ATOM 1625 C C . GLY AAA 1 102 C . GLY 102 -4.515 29.501 31.698 1.000 15.004 . 102 GLY AAA C . 1 ATOM 1626 O O . GLY AAA 1 102 O . GLY 102 -4.960 30.659 31.611 1.000 14.054 . 102 GLY AAA O . 1 ATOM 1628 N N . ASN AAA 1 103 N . ASN 103 -3.595 29.035 30.872 1.000 14.536 . 103 ASN AAA N . 1 ATOM 1629 H H . ASN AAA 1 103 H . ASN 103 -3.301 28.173 30.865 1.000 14.566 . 103 ASN AAA H c 1 ATOM 1630 C CA . ASN AAA 1 103 CA . ASN 103 -2.966 29.932 29.874 1.000 14.196 . 103 ASN AAA CA . 1 ATOM 1631 H HA . ASN AAA 1 103 HA . ASN 103 -3.214 30.859 30.090 1.000 14.525 . 103 ASN AAA HA c 1 ATOM 1632 C CB . ASN AAA 1 103 CB . ASN 103 -1.448 29.827 29.998 1.000 15.826 . 103 ASN AAA CB . 1 ATOM 1633 H HB3 . ASN AAA 1 103 HB3 . ASN 103 -1.032 30.384 29.309 1.000 15.772 . 103 ASN AAA HB3 c 1 ATOM 1634 H HB2 . ASN AAA 1 103 HB2 . ASN 103 -1.179 28.899 29.840 1.000 15.789 . 103 ASN AAA HB2 c 1 ATOM 1635 C CG . ASN AAA 1 103 CG . ASN 103 -0.945 30.262 31.351 1.000 17.390 . 103 ASN AAA CG . 1 ATOM 1636 O OD1 . ASN AAA 1 103 OD1 . ASN 103 -1.553 31.153 31.957 1.000 18.803 . 103 ASN AAA OD1 . 1 ATOM 1637 N ND2 . ASN AAA 1 103 ND2 . ASN 103 0.185 29.699 31.793 1.000 19.214 . 103 ASN AAA ND2 . 1 ATOM 1638 H HD21 . ASN AAA 1 103 HD21 . ASN 103 0.515 29.928 32.581 0.000 19.140 . 103 ASN AAA HD21 c 1 ATOM 1639 H HD22 . ASN AAA 1 103 HD22 . ASN 103 0.601 29.095 31.299 0.000 19.140 . 103 ASN AAA HD22 c 1 ATOM 1640 C C . ASN AAA 1 103 C . ASN 103 -3.460 29.624 28.475 1.000 13.985 . 103 ASN AAA C . 1 ATOM 1641 O O . ASN AAA 1 103 O . ASN 103 -2.855 30.120 27.516 1.000 14.267 . 103 ASN AAA O . 1 ATOM 1643 N N . GLY AAA 1 104 N . GLY 104 -4.565 28.901 28.332 1.000 13.001 . 104 GLY AAA N . 1 ATOM 1644 H H . GLY AAA 1 104 H . GLY 104 -4.994 28.513 29.034 1.000 13.057 . 104 GLY AAA H c 1 ATOM 1645 C CA . GLY AAA 1 104 CA . GLY 104 -5.192 28.664 27.035 1.000 12.281 . 104 GLY AAA CA . 1 ATOM 1646 H HA3 . GLY AAA 1 104 HA3 . GLY 104 -5.604 29.506 26.717 1.000 12.641 . 104 GLY AAA HA3 c 1 ATOM 1647 H HA2 . GLY AAA 1 104 HA2 . GLY 104 -5.910 27.992 27.141 1.000 12.645 . 104 GLY AAA HA2 c 1 ATOM 1648 C C . GLY AAA 1 104 C . GLY 104 -4.185 28.171 25.999 1.000 13.118 . 104 GLY AAA C . 1 ATOM 1649 O O . GLY AAA 1 104 O . GLY 104 -3.270 27.381 26.313 1.000 12.523 . 104 GLY AAA O . 1 ATOM 1651 N N . MET AAA 1 105 N . MET 105 -4.296 28.629 24.760 1.000 11.702 . 105 MET AAA N . 1 ATOM 1652 H H . MET AAA 1 105 H . MET 105 -4.893 29.263 24.505 1.000 11.907 . 105 MET AAA H c 1 ATOM 1653 C CA . MET AAA 1 105 CA . MET 105 -3.394 28.136 23.692 1.000 11.283 . 105 MET AAA CA . 1 ATOM 1654 H HA . MET AAA 1 105 HA . MET 105 -3.255 27.177 23.865 1.000 11.246 . 105 MET AAA HA c 1 ATOM 1655 C CB . MET AAA 1 105 CB . MET 105 -4.032 28.264 22.306 1.000 10.265 . 105 MET AAA CB . 1 ATOM 1656 H HB3 . MET AAA 1 105 HB3 . MET 105 -3.342 28.169 21.620 1.000 10.320 . 105 MET AAA HB3 c 1 ATOM 1657 H HB2 . MET AAA 1 105 HB2 . MET 105 -4.435 29.151 22.215 1.000 10.318 . 105 MET AAA HB2 c 1 ATOM 1658 C CG . MET AAA 1 105 CG . MET 105 -5.112 27.183 22.103 1.000 9.527 . 105 MET AAA CG . 1 ATOM 1659 H HG3 . MET AAA 1 105 HG3 . MET 105 -5.897 27.400 22.650 1.000 10.059 . 105 MET AAA HG3 c 1 ATOM 1660 H HG2 . MET AAA 1 105 HG2 . MET 105 -4.764 26.315 22.401 1.000 10.060 . 105 MET AAA HG2 c 1 ATOM 1661 S SD . MET AAA 1 105 SD . MET 105 -5.616 27.051 20.371 1.000 11.126 . 105 MET AAA SD . 1 ATOM 1662 C CE . MET AAA 1 105 CE . MET 105 -4.291 26.010 19.732 1.000 11.111 . 105 MET AAA CE . 1 ATOM 1663 H HE3 . MET AAA 1 105 HE3 . MET 105 -4.276 25.176 20.217 1.000 11.114 . 105 MET AAA HE3 c 1 ATOM 1664 H HE2 . MET AAA 1 105 HE2 . MET 105 -3.446 26.463 19.842 1.000 11.115 . 105 MET AAA HE2 c 1 ATOM 1665 H HE1 . MET AAA 1 105 HE1 . MET 105 -4.444 25.836 18.795 1.000 11.115 . 105 MET AAA HE1 c 1 ATOM 1666 C C . MET AAA 1 105 C . MET 105 -2.004 28.802 23.744 1.000 11.766 . 105 MET AAA C . 1 ATOM 1667 O O . MET AAA 1 105 O . MET 105 -1.154 28.439 22.922 1.000 11.875 . 105 MET AAA O . 1 ATOM 1669 N N . ASN AAA 1 106 N . ASN 106 -1.735 29.701 24.681 1.000 12.045 . 106 ASN AAA N . 1 ATOM 1670 H H . ASN AAA 1 106 H . ASN 106 -2.335 29.976 25.306 1.000 12.117 . 106 ASN AAA H c 1 ATOM 1671 C CA . ASN AAA 1 106 CA . ASN 106 -0.411 30.356 24.769 1.000 12.644 . 106 ASN AAA CA . 1 ATOM 1672 H HA . ASN AAA 1 106 HA . ASN 106 -0.178 30.712 23.880 1.000 12.110 . 106 ASN AAA HA c 1 ATOM 1673 C CB . ASN AAA 1 106 CB . ASN 106 -0.428 31.538 25.766 1.000 11.672 . 106 ASN AAA CB . 1 ATOM 1674 H HB3 . ASN AAA 1 106 HB3 . ASN 106 0.493 31.831 25.923 1.000 12.226 . 106 ASN AAA HB3 c 1 ATOM 1675 H HB2 . ASN AAA 1 106 HB2 . ASN 106 -0.795 31.230 26.619 1.000 12.231 . 106 ASN AAA HB2 c 1 ATOM 1676 C CG . ASN AAA 1 106 CG . ASN 106 -1.244 32.718 25.269 1.000 13.119 . 106 ASN AAA CG . 1 ATOM 1677 O OD1 . ASN AAA 1 106 OD1 . ASN 106 -0.874 33.302 24.259 1.000 12.316 . 106 ASN AAA OD1 . 1 ATOM 1678 N ND2 . ASN AAA 1 106 ND2 . ASN 106 -2.373 32.992 25.947 1.000 13.014 . 106 ASN AAA ND2 . 1 ATOM 1679 H HD21 . ASN AAA 1 106 HD21 . ASN 106 -2.889 33.666 25.693 0.000 12.840 . 106 ASN AAA HD21 c 1 ATOM 1680 H HD22 . ASN AAA 1 106 HD22 . ASN 106 -2.604 32.496 26.638 0.000 12.840 . 106 ASN AAA HD22 c 1 ATOM 1681 C C . ASN AAA 1 106 C . ASN 106 0.624 29.294 25.166 1.000 11.469 . 106 ASN AAA C . 1 ATOM 1682 O O . ASN AAA 1 106 O . ASN 106 1.842 29.519 25.153 1.000 12.589 . 106 ASN AAA O . 1 ATOM 1684 N N . ALA AAA 1 107 N . ALA 107 0.140 28.126 25.591 1.000 11.618 . 107 ALA AAA N . 1 ATOM 1685 H H . ALA AAA 1 107 H . ALA 107 -0.741 27.943 25.720 1.000 11.598 . 107 ALA AAA H c 1 ATOM 1686 C CA . ALA AAA 1 107 CA . ALA 107 1.028 27.003 25.977 1.000 11.669 . 107 ALA AAA CA . 1 ATOM 1687 H HA . ALA AAA 1 107 HA . ALA 107 1.663 27.316 26.663 1.000 11.695 . 107 ALA AAA HA c 1 ATOM 1688 C CB . ALA AAA 1 107 CB . ALA 107 0.202 25.874 26.539 1.000 11.852 . 107 ALA AAA CB . 1 ATOM 1689 H HB3 . ALA AAA 1 107 HB3 . ALA 107 -0.445 25.582 25.875 1.000 11.806 . 107 ALA AAA HB3 c 1 ATOM 1690 H HB2 . ALA AAA 1 107 HB2 . ALA 107 -0.265 26.178 27.334 1.000 11.844 . 107 ALA AAA HB2 c 1 ATOM 1691 H HB1 . ALA AAA 1 107 HB1 . ALA 107 0.784 25.130 26.770 1.000 11.807 . 107 ALA AAA HB1 c 1 ATOM 1692 C C . ALA AAA 1 107 C . ALA 107 1.810 26.535 24.754 1.000 11.667 . 107 ALA AAA C . 1 ATOM 1693 O O . ALA AAA 1 107 O . ALA 107 2.907 25.975 24.896 1.000 12.225 . 107 ALA AAA O . 1 ATOM 1695 N N . TRP AAA 1 108 N . TRP 108 1.258 26.792 23.565 1.000 11.430 . 108 TRP AAA N . 1 ATOM 1696 H H . TRP AAA 1 108 H . TRP 108 0.439 27.171 23.453 1.000 11.636 . 108 TRP AAA H c 1 ATOM 1697 C CA . TRP AAA 1 108 CA . TRP 108 1.941 26.432 22.297 1.000 12.090 . 108 TRP AAA CA . 1 ATOM 1698 H HA . TRP AAA 1 108 HA . TRP 108 2.637 25.759 22.479 1.000 11.688 . 108 TRP AAA HA c 1 ATOM 1699 C CB . TRP AAA 1 108 CB . TRP 108 0.922 25.854 21.308 1.000 11.034 . 108 TRP AAA CB . 1 ATOM 1700 H HB3 . TRP AAA 1 108 HB3 . TRP 108 1.327 25.836 20.417 1.000 11.364 . 108 TRP AAA HB3 c 1 ATOM 1701 H HB2 . TRP AAA 1 108 HB2 . TRP 108 0.145 26.448 21.276 1.000 11.364 . 108 TRP AAA HB2 c 1 ATOM 1702 C CG . TRP AAA 1 108 CG . TRP 108 0.478 24.475 21.679 1.000 11.413 . 108 TRP AAA CG . 1 ATOM 1703 C CD1 . TRP AAA 1 108 CD1 . TRP 108 1.144 23.307 21.453 1.000 10.993 . 108 TRP AAA CD1 . 1 ATOM 1704 H HD1 . TRP AAA 1 108 HD1 . TRP 108 1.960 23.224 20.985 1.000 11.424 . 108 TRP AAA HD1 c 1 ATOM 1705 N NE1 . TRP AAA 1 108 NE1 . TRP 108 0.431 22.259 21.964 1.000 12.779 . 108 TRP AAA NE1 . 1 ATOM 1706 H HE1 . TRP AAA 1 108 HE1 . TRP 108 0.681 21.424 21.944 1.000 11.954 . 108 TRP AAA HE1 c 1 ATOM 1707 C CE2 . TRP AAA 1 108 CE2 . TRP 108 -0.696 22.726 22.572 1.000 11.827 . 108 TRP AAA CE2 . 1 ATOM 1708 C CD2 . TRP AAA 1 108 CD2 . TRP 108 -0.689 24.125 22.427 1.000 10.540 . 108 TRP AAA CD2 . 1 ATOM 1709 C CE3 . TRP AAA 1 108 CE3 . TRP 108 -1.784 24.840 22.923 1.000 10.857 . 108 TRP AAA CE3 . 1 ATOM 1710 H HE3 . TRP AAA 1 108 HE3 . TRP 108 -1.807 25.781 22.865 1.000 10.727 . 108 TRP AAA HE3 c 1 ATOM 1711 C CZ3 . TRP AAA 1 108 CZ3 . TRP 108 -2.764 24.151 23.615 1.000 10.336 . 108 TRP AAA CZ3 . 1 ATOM 1712 H HZ3 . TRP AAA 1 108 HZ3 . TRP 108 -3.490 24.633 23.979 1.000 10.609 . 108 TRP AAA HZ3 c 1 ATOM 1713 C CH2 . TRP AAA 1 108 CH2 . TRP 108 -2.729 22.772 23.781 1.000 10.635 . 108 TRP AAA CH2 . 1 ATOM 1714 H HH2 . TRP AAA 1 108 HH2 . TRP 108 -3.436 22.336 24.222 1.000 10.700 . 108 TRP AAA HH2 c 1 ATOM 1715 C CZ2 . TRP AAA 1 108 CZ2 . TRP 108 -1.688 22.032 23.269 1.000 10.922 . 108 TRP AAA CZ2 . 1 ATOM 1716 H HZ2 . TRP AAA 1 108 HZ2 . TRP 108 -1.666 21.093 23.344 1.000 11.063 . 108 TRP AAA HZ2 c 1 ATOM 1717 C C . TRP AAA 1 108 C . TRP 108 2.577 27.724 21.801 1.000 11.729 . 108 TRP AAA C . 1 ATOM 1718 O O . TRP AAA 1 108 O . TRP 108 1.851 28.599 21.264 1.000 11.692 . 108 TRP AAA O . 1 ATOM 1720 N N . VAL AAA 1 109 N . VAL 109 3.890 27.880 21.991 1.000 11.893 . 109 VAL AAA N . 1 ATOM 1721 H H . VAL AAA 1 109 H . VAL 109 4.429 27.253 22.375 1.000 11.773 . 109 VAL AAA H c 1 ATOM 1722 C CA . VAL AAA 1 109 CA . VAL 109 4.567 29.118 21.560 1.000 11.565 . 109 VAL AAA CA . 1 ATOM 1723 H HA . VAL AAA 1 109 HA . VAL 109 4.194 29.861 22.066 1.000 11.750 . 109 VAL AAA HA c 1 ATOM 1724 C CB A VAL AAA 1 109 CB . VAL 109 6.084 29.021 21.872 0.500 11.655 . 109 VAL AAA CB . 1 ATOM 1725 H HB . VAL AAA 1 109 HB . VAL 109 6.405 28.158 21.512 0.500 11.704 . 109 VAL AAA HB c 1 ATOM 1726 C CG1 A VAL AAA 1 109 CG1 . VAL 109 6.885 30.130 21.196 0.500 12.416 . 109 VAL AAA CG1 . 1 ATOM 1727 H HG11 . VAL AAA 1 109 HG11 . VAL 109 6.910 29.976 20.234 0.500 12.176 . 109 VAL AAA HG11 c 1 ATOM 1728 H HG12 . VAL AAA 1 109 HG12 . VAL 109 7.794 30.133 21.546 0.500 12.177 . 109 VAL AAA HG12 c 1 ATOM 1729 H HG13 . VAL AAA 1 109 HG13 . VAL 109 6.466 30.990 21.376 0.500 12.177 . 109 VAL AAA HG13 c 1 ATOM 1730 C CG2 A VAL AAA 1 109 CG2 . VAL 109 6.370 29.033 23.349 0.500 11.201 . 109 VAL AAA CG2 . 1 ATOM 1731 H HG21 . VAL AAA 1 109 HG21 . VAL 109 6.037 29.861 23.737 0.500 11.342 . 109 VAL AAA HG21 c 1 ATOM 1732 H HG22 . VAL AAA 1 109 HG22 . VAL 109 7.330 28.971 23.495 0.500 11.342 . 109 VAL AAA HG22 c 1 ATOM 1733 H HG23 . VAL AAA 1 109 HG23 . VAL 109 5.929 28.277 23.773 0.500 11.355 . 109 VAL AAA HG23 c 1 ATOM 1734 C C . VAL AAA 1 109 C . VAL 109 4.339 29.382 20.078 1.000 12.125 . 109 VAL AAA C . 1 ATOM 1735 O O . VAL AAA 1 109 O . VAL 109 4.200 30.528 19.693 1.000 12.186 . 109 VAL AAA O . 1 ATOM 1737 N N . ALA AAA 1 110 N . ALA 110 4.370 28.347 19.233 1.000 11.690 . 110 ALA AAA N . 1 ATOM 1738 H H . ALA AAA 1 110 H . ALA 110 4.504 27.477 19.468 1.000 11.710 . 110 ALA AAA H c 1 ATOM 1739 C CA . ALA AAA 1 110 CA . ALA 110 4.185 28.550 17.785 1.000 11.345 . 110 ALA AAA CA . 1 ATOM 1740 H HA . ALA AAA 1 110 HA . ALA 110 4.849 29.209 17.476 1.000 11.627 . 110 ALA AAA HA c 1 ATOM 1741 C CB . ALA AAA 1 110 CB . ALA 110 4.404 27.256 17.039 1.000 12.179 . 110 ALA AAA CB . 1 ATOM 1742 H HB3 . ALA AAA 1 110 HB3 . ALA 110 3.750 26.598 17.329 1.000 11.916 . 110 ALA AAA HB3 c 1 ATOM 1743 H HB2 . ALA AAA 1 110 HB2 . ALA 110 5.299 26.923 17.220 1.000 11.916 . 110 ALA AAA HB2 c 1 ATOM 1744 H HB1 . ALA AAA 1 110 HB1 . ALA 110 4.305 27.410 16.084 1.000 11.916 . 110 ALA AAA HB1 c 1 ATOM 1745 C C . ALA AAA 1 110 C . ALA 110 2.779 29.101 17.483 1.000 11.661 . 110 ALA AAA C . 1 ATOM 1746 O O . ALA AAA 1 110 O . ALA 110 2.620 29.841 16.502 1.000 11.134 . 110 ALA AAA O . 1 ATOM 1748 N N . TRP AAA 1 111 N . TRP 111 1.801 28.769 18.305 1.000 11.772 . 111 TRP AAA N . 1 ATOM 1749 H H . TRP AAA 1 111 H . TRP 111 1.893 28.198 19.008 1.000 11.697 . 111 TRP AAA H c 1 ATOM 1750 C CA . TRP AAA 1 111 CA . TRP 111 0.444 29.305 18.117 1.000 11.564 . 111 TRP AAA CA . 1 ATOM 1751 H HA . TRP AAA 1 111 HA . TRP 111 0.184 29.181 17.176 1.000 11.776 . 111 TRP AAA HA c 1 ATOM 1752 C CB . TRP AAA 1 111 CB . TRP 111 -0.572 28.593 19.000 1.000 11.834 . 111 TRP AAA CB . 1 ATOM 1753 H HB3 . TRP AAA 1 111 HB3 . TRP 111 -0.248 28.602 19.922 1.000 11.471 . 111 TRP AAA HB3 c 1 ATOM 1754 H HB2 . TRP AAA 1 111 HB2 . TRP 111 -0.639 27.660 18.710 1.000 11.470 . 111 TRP AAA HB2 c 1 ATOM 1755 C CG . TRP AAA 1 111 CG . TRP 111 -1.919 29.227 18.946 1.000 10.606 . 111 TRP AAA CG . 1 ATOM 1756 C CD1 . TRP AAA 1 111 CD1 . TRP 111 -2.897 28.990 18.014 1.000 10.163 . 111 TRP AAA CD1 . 1 ATOM 1757 H HD1 . TRP AAA 1 111 HD1 . TRP 111 -2.823 28.390 17.288 1.000 10.403 . 111 TRP AAA HD1 c 1 ATOM 1758 N NE1 . TRP AAA 1 111 NE1 . TRP 111 -3.971 29.820 18.232 1.000 10.557 . 111 TRP AAA NE1 . 1 ATOM 1759 H HE1 . TRP AAA 1 111 HE1 . TRP 111 -4.709 29.827 17.770 1.000 10.566 . 111 TRP AAA HE1 c 1 ATOM 1760 C CE2 . TRP AAA 1 111 CE2 . TRP 111 -3.707 30.575 19.342 1.000 10.927 . 111 TRP AAA CE2 . 1 ATOM 1761 C CD2 . TRP AAA 1 111 CD2 . TRP 111 -2.421 30.236 19.818 1.000 10.571 . 111 TRP AAA CD2 . 1 ATOM 1762 C CE3 . TRP AAA 1 111 CE3 . TRP 111 -1.928 30.868 20.964 1.000 10.701 . 111 TRP AAA CE3 . 1 ATOM 1763 H HE3 . TRP AAA 1 111 HE3 . TRP 111 -1.059 30.689 21.284 1.000 10.783 . 111 TRP AAA HE3 c 1 ATOM 1764 C CZ3 . TRP AAA 1 111 CZ3 . TRP 111 -2.726 31.844 21.553 1.000 11.274 . 111 TRP AAA CZ3 . 1 ATOM 1765 H HZ3 . TRP AAA 1 111 HZ3 . TRP 111 -2.412 32.288 22.324 1.000 10.895 . 111 TRP AAA HZ3 c 1 ATOM 1766 C CH2 . TRP AAA 1 111 CH2 . TRP 111 -3.993 32.145 21.077 1.000 10.399 . 111 TRP AAA CH2 . 1 ATOM 1767 H HH2 . TRP AAA 1 111 HH2 . TRP 111 -4.512 32.791 21.521 1.000 10.568 . 111 TRP AAA HH2 c 1 ATOM 1768 C CZ2 . TRP AAA 1 111 CZ2 . TRP 111 -4.505 31.520 19.971 1.000 10.201 . 111 TRP AAA CZ2 . 1 ATOM 1769 H HZ2 . TRP AAA 1 111 HZ2 . TRP 111 -5.364 31.725 19.645 1.000 10.451 . 111 TRP AAA HZ2 c 1 ATOM 1770 C C . TRP AAA 1 111 C . TRP 111 0.473 30.792 18.444 1.000 12.220 . 111 TRP AAA C . 1 ATOM 1771 O O . TRP AAA 1 111 O . TRP 111 -0.082 31.576 17.685 1.000 11.835 . 111 TRP AAA O . 1 ATOM 1773 N N . ARG AAA 1 112 N . ARG 112 1.044 31.131 19.579 1.000 11.759 . 112 ARG AAA N . 1 ATOM 1774 H H . ARG AAA 1 112 H . ARG 112 1.416 30.542 20.167 1.000 11.928 . 112 ARG AAA H c 1 ATOM 1775 C CA . ARG AAA 1 112 CA . ARG 112 1.097 32.558 19.969 1.000 12.013 . 112 ARG AAA CA . 1 ATOM 1776 H HA . ARG AAA 1 112 HA . ARG 112 0.173 32.889 20.043 1.000 12.127 . 112 ARG AAA HA c 1 ATOM 1777 C CB . ARG AAA 1 112 CB . ARG 112 1.788 32.740 21.316 1.000 13.354 . 112 ARG AAA CB . 1 ATOM 1778 H HB3 . ARG AAA 1 112 HB3 . ARG 112 2.688 32.355 21.267 1.000 13.495 . 112 ARG AAA HB3 c 1 ATOM 1779 H HB2 . ARG AAA 1 112 HB2 . ARG 112 1.284 32.253 22.001 1.000 13.495 . 112 ARG AAA HB2 c 1 ATOM 1780 C CG . ARG AAA 1 112 CG . ARG 112 1.895 34.215 21.725 1.000 15.523 . 112 ARG AAA CG . 1 ATOM 1781 H HG3 . ARG AAA 1 112 HG3 . ARG 112 1.029 34.649 21.570 1.000 15.443 . 112 ARG AAA HG3 c 1 ATOM 1782 H HG2 . ARG AAA 1 112 HG2 . ARG 112 2.552 34.657 21.147 1.000 15.455 . 112 ARG AAA HG2 c 1 ATOM 1783 C CD . ARG AAA 1 112 CD . ARG 112 2.301 34.449 23.192 1.000 17.641 . 112 ARG AAA CD . 1 ATOM 1784 H HD3 . ARG AAA 1 112 HD3 . ARG 112 1.550 34.197 23.770 1.000 17.344 . 112 ARG AAA HD3 c 1 ATOM 1785 H HD2 . ARG AAA 1 112 HD2 . ARG 112 2.468 35.406 23.328 1.000 17.368 . 112 ARG AAA HD2 c 1 ATOM 1786 N NE . ARG AAA 1 112 NE . ARG 112 3.482 33.693 23.601 1.000 18.693 . 112 ARG AAA NE . 1 ATOM 1787 H HE . ARG AAA 1 112 HE . ARG 112 3.371 32.997 24.115 1.000 19.136 . 112 ARG AAA HE c 1 ATOM 1788 C CZ . ARG AAA 1 112 CZ . ARG 112 4.726 34.009 23.229 1.000 21.197 . 112 ARG AAA CZ . 1 ATOM 1789 N NH1 . ARG AAA 1 112 NH1 . ARG 112 4.929 35.069 22.464 1.000 21.575 . 112 ARG AAA NH1 . 1 ATOM 1790 H HH11 . ARG AAA 1 112 HH11 . ARG 112 4.256 35.555 22.186 1.000 21.285 . 112 ARG AAA HH11 c 1 ATOM 1791 H HH12 . ARG AAA 1 112 HH12 . ARG 112 5.748 35.281 22.224 1.000 21.324 . 112 ARG AAA HH12 c 1 ATOM 1792 N NH2 . ARG AAA 1 112 NH2 . ARG 112 5.765 33.309 23.643 1.000 21.740 . 112 ARG AAA NH2 . 1 ATOM 1793 H HH21 . ARG AAA 1 112 HH21 . ARG 112 5.642 32.604 24.157 1.000 21.434 . 112 ARG AAA HH21 c 1 ATOM 1794 H HH22 . ARG AAA 1 112 HH22 . ARG 112 6.578 33.536 23.389 1.000 21.434 . 112 ARG AAA HH22 c 1 ATOM 1795 C C . ARG AAA 1 112 C . ARG 112 1.827 33.386 18.912 1.000 11.598 . 112 ARG AAA C . 1 ATOM 1796 O O . ARG AAA 1 112 O . ARG 112 1.359 34.507 18.560 1.000 11.942 . 112 ARG AAA O . 1 ATOM 1798 N N . ASN AAA 1 113 N . ASN 113 2.939 32.884 18.383 1.000 12.033 . 113 ASN AAA N . 1 ATOM 1799 H H . ASN AAA 1 113 H . ASN 113 3.254 32.051 18.573 1.000 11.784 . 113 ASN AAA H c 1 ATOM 1800 C CA . ASN AAA 1 113 CA . ASN 113 3.758 33.650 17.439 1.000 11.404 . 113 ASN AAA CA . 1 ATOM 1801 H HA . ASN AAA 1 113 HA . ASN 113 3.713 34.597 17.710 1.000 11.820 . 113 ASN AAA HA c 1 ATOM 1802 C CB . ASN AAA 1 113 CB . ASN 113 5.222 33.239 17.509 1.000 12.882 . 113 ASN AAA CB . 1 ATOM 1803 H HB3 . ASN AAA 1 113 HB3 . ASN 113 5.709 33.645 16.763 1.000 12.640 . 113 ASN AAA HB3 c 1 ATOM 1804 H HB2 . ASN AAA 1 113 HB2 . ASN 113 5.288 32.266 17.426 1.000 12.642 . 113 ASN AAA HB2 c 1 ATOM 1805 C CG . ASN AAA 1 113 CG . ASN 113 5.853 33.675 18.818 1.000 13.444 . 113 ASN AAA CG . 1 ATOM 1806 O OD1 . ASN AAA 1 113 OD1 . ASN 113 5.521 34.769 19.331 1.000 13.431 . 113 ASN AAA OD1 . 1 ATOM 1807 N ND2 . ASN AAA 1 113 ND2 . ASN 113 6.799 32.878 19.335 1.000 12.208 . 113 ASN AAA ND2 . 1 ATOM 1808 H HD21 . ASN AAA 1 113 HD21 . ASN 113 7.196 33.093 20.097 0.000 12.190 . 113 ASN AAA HD21 c 1 ATOM 1809 H HD22 . ASN AAA 1 113 HD22 . ASN 113 7.042 32.138 18.910 0.000 12.190 . 113 ASN AAA HD22 c 1 ATOM 1810 C C . ASN AAA 1 113 C . ASN 113 3.305 33.570 15.999 1.000 11.514 . 113 ASN AAA C . 1 ATOM 1811 O O . ASN AAA 1 113 O . ASN 113 3.653 34.493 15.228 1.000 11.859 . 113 ASN AAA O . 1 ATOM 1813 N N . ARG AAA 1 114 N . ARG 114 2.569 32.568 15.597 1.000 11.219 . 114 ARG AAA N . 1 ATOM 1814 H H . ARG AAA 1 114 H . ARG 114 2.267 31.905 16.142 1.000 11.619 . 114 ARG AAA H c 1 ATOM 1815 C CA . ARG AAA 1 114 CA . ARG 114 2.222 32.427 14.162 1.000 12.677 . 114 ARG AAA CA . 1 ATOM 1816 H HA . ARG AAA 1 114 HA . ARG 114 2.533 33.237 13.701 1.000 12.033 . 114 ARG AAA HA c 1 ATOM 1817 C CB . ARG AAA 1 114 CB . ARG 114 2.997 31.246 13.585 1.000 11.605 . 114 ARG AAA CB . 1 ATOM 1818 H HB3 . ARG AAA 1 114 HB3 . ARG 114 2.918 31.263 12.608 1.000 11.853 . 114 ARG AAA HB3 c 1 ATOM 1819 H HB2 . ARG AAA 1 114 HB2 . ARG 114 2.592 30.414 13.907 1.000 11.852 . 114 ARG AAA HB2 c 1 ATOM 1820 C CG . ARG AAA 1 114 CG . ARG 114 4.495 31.261 13.971 1.000 11.624 . 114 ARG AAA CG . 1 ATOM 1821 H HG3 . ARG AAA 1 114 HG3 . ARG 114 4.569 31.317 14.946 1.000 11.586 . 114 ARG AAA HG3 c 1 ATOM 1822 H HG2 . ARG AAA 1 114 HG2 . ARG 114 4.907 32.070 13.599 1.000 11.586 . 114 ARG AAA HG2 c 1 ATOM 1823 C CD . ARG AAA 1 114 CD . ARG 114 5.285 30.078 13.514 1.000 11.484 . 114 ARG AAA CD . 1 ATOM 1824 H HD3 . ARG AAA 1 114 HD3 . ARG 114 4.856 29.255 13.831 1.000 11.552 . 114 ARG AAA HD3 c 1 ATOM 1825 H HD2 . ARG AAA 1 114 HD2 . ARG 114 6.187 30.122 13.896 1.000 11.551 . 114 ARG AAA HD2 c 1 ATOM 1826 N NE . ARG AAA 1 114 NE . ARG 114 5.368 30.057 12.059 1.000 11.639 . 114 ARG AAA NE . 1 ATOM 1827 H HE . ARG AAA 1 114 HE . ARG 114 4.967 30.690 11.614 1.000 11.628 . 114 ARG AAA HE c 1 ATOM 1828 C CZ . ARG AAA 1 114 CZ . ARG 114 6.153 29.218 11.379 1.000 11.702 . 114 ARG AAA CZ . 1 ATOM 1829 N NH1 . ARG AAA 1 114 NH1 . ARG 114 6.772 28.256 12.038 1.000 10.955 . 114 ARG AAA NH1 . 1 ATOM 1830 H HH11 . ARG AAA 1 114 HH11 . ARG 114 6.737 28.223 12.913 1.000 11.245 . 114 ARG AAA HH11 c 1 ATOM 1831 H HH12 . ARG AAA 1 114 HH12 . ARG 114 7.270 27.680 11.598 1.000 11.243 . 114 ARG AAA HH12 c 1 ATOM 1832 N NH2 . ARG AAA 1 114 NH2 . ARG 114 6.196 29.266 10.050 1.000 12.747 . 114 ARG AAA NH2 . 1 ATOM 1833 H HH21 . ARG AAA 1 114 HH21 . ARG 114 5.754 29.894 9.618 1.000 12.331 . 114 ARG AAA HH21 c 1 ATOM 1834 H HH22 . ARG AAA 1 114 HH22 . ARG 114 6.682 28.682 9.604 1.000 12.331 . 114 ARG AAA HH22 c 1 ATOM 1835 C C . ARG AAA 1 114 C . ARG 114 0.729 32.297 13.890 1.000 11.911 . 114 ARG AAA C . 1 ATOM 1836 O O . ARG AAA 1 114 O . ARG 114 0.318 32.418 12.728 1.000 11.293 . 114 ARG AAA O . 1 ATOM 1838 N N . CYS AAA 1 115 N . CYS 115 -0.075 32.047 14.911 1.000 11.888 . 115 CYS AAA N . 1 ATOM 1839 H H . CYS AAA 1 115 H . CYS 115 0.188 31.949 15.775 1.000 11.622 . 115 CYS AAA H c 1 ATOM 1840 C CA . CYS AAA 1 115 CA . CYS 115 -1.544 31.870 14.714 1.000 10.757 . 115 CYS AAA CA . 1 ATOM 1841 H HA . CYS AAA 1 115 HA . CYS 115 -1.729 31.905 13.748 1.000 11.187 . 115 CYS AAA HA c 1 ATOM 1842 C CB . CYS AAA 1 115 CB . CYS 115 -1.978 30.499 15.230 1.000 10.466 . 115 CYS AAA CB . 1 ATOM 1843 H HB3 . CYS AAA 1 115 HB3 . CYS 115 -2.936 30.385 15.064 1.000 10.722 . 115 CYS AAA HB3 c 1 ATOM 1844 H HB2 . CYS AAA 1 115 HB2 . CYS 115 -1.834 30.464 16.195 1.000 10.721 . 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 11.269 . 115 CYS AAA SG . 1 ATOM 1846 C C . CYS AAA 1 115 C . CYS 115 -2.383 32.943 15.400 1.000 12.281 . 115 CYS AAA C . 1 ATOM 1847 O O . CYS AAA 1 115 O . CYS 115 -3.339 33.480 14.807 1.000 11.715 . 115 CYS AAA O . 1 ATOM 1849 N N . LYS AAA 1 116 N . LYS 116 -2.025 33.289 16.611 1.000 12.628 . 116 LYS AAA N . 1 ATOM 1850 H H . LYS AAA 1 116 H . LYS 116 -1.296 32.941 17.030 1.000 12.645 . 116 LYS AAA H c 1 ATOM 1851 C CA . LYS AAA 1 116 CA . LYS 116 -2.774 34.267 17.416 1.000 13.099 . 116 LYS AAA CA . 1 ATOM 1852 H HA . LYS AAA 1 116 HA . LYS 116 -3.677 33.914 17.587 1.000 12.763 . 116 LYS AAA HA c 1 ATOM 1853 C CB . LYS AAA 1 116 CB . LYS 116 -2.039 34.452 18.748 1.000 12.793 . 116 LYS AAA CB . 1 ATOM 1854 H HB3 . LYS AAA 1 116 HB3 . LYS 116 -1.169 34.864 18.569 1.000 12.891 . 116 LYS AAA HB3 c 1 ATOM 1855 H HB2 . LYS AAA 1 116 HB2 . LYS 116 -1.879 33.569 19.141 1.000 12.891 . 116 LYS AAA HB2 c 1 ATOM 1856 C CG . LYS AAA 1 116 CG . LYS 116 -2.782 35.306 19.761 1.000 12.913 . 116 LYS AAA CG . 1 ATOM 1857 H HG3 . LYS AAA 1 116 HG3 . LYS 116 -3.664 34.916 19.940 1.000 12.890 . 116 LYS AAA HG3 c 1 ATOM 1858 H HG2 . LYS AAA 1 116 HG2 . LYS 116 -2.903 36.213 19.407 1.000 12.889 . 116 LYS AAA HG2 c 1 ATOM 1859 C CD . LYS AAA 1 116 CD . LYS 116 -1.964 35.355 21.043 1.000 12.934 . 116 LYS AAA CD . 1 ATOM 1860 H HD3 . LYS AAA 1 116 HD3 . LYS 116 -1.098 35.773 20.850 1.000 13.111 . 116 LYS AAA HD3 c 1 ATOM 1861 H HD2 . LYS AAA 1 116 HD2 . LYS 116 -1.793 34.438 21.345 1.000 13.108 . 116 LYS AAA HD2 c 1 ATOM 1862 C CE . LYS AAA 1 116 CE . LYS 116 -2.623 36.109 22.148 1.000 13.730 . 116 LYS AAA CE . 1 ATOM 1863 H HE3 . LYS AAA 1 116 HE3 . LYS 116 -3.473 35.685 22.366 1.000 13.652 . 116 LYS AAA HE3 c 1 ATOM 1864 H HE2 . LYS AAA 1 116 HE2 . LYS 116 -2.807 37.021 21.855 1.000 13.652 . 116 LYS AAA HE2 c 1 ATOM 1865 N NZ . LYS AAA 1 116 NZ . LYS 116 -1.778 36.156 23.376 1.000 14.225 . 116 LYS AAA NZ . 1 ATOM 1866 H HZ1 . LYS AAA 1 116 HZ1 . LYS 116 -1.615 35.313 23.669 1.000 14.071 . 116 LYS AAA HZ1 c 1 ATOM 1867 H HZ2 . LYS AAA 1 116 HZ2 . LYS 116 -2.208 36.619 24.026 1.000 14.071 . 116 LYS AAA HZ2 c 1 ATOM 1868 H HZ3 . LYS AAA 1 116 HZ3 . LYS 116 -0.990 36.564 23.191 1.000 14.071 . 116 LYS AAA HZ3 c 1 ATOM 1869 C C . LYS AAA 1 116 C . LYS 116 -2.882 35.593 16.650 1.000 12.133 . 116 LYS AAA C . 1 ATOM 1870 O O . LYS AAA 1 116 O . LYS 116 -1.849 36.080 16.141 1.000 11.964 . 116 LYS AAA O . 1 ATOM 1872 N N . GLY AAA 1 117 N . GLY 117 -4.081 36.171 16.578 1.000 12.728 . 117 GLY AAA N . 1 ATOM 1873 H H . GLY AAA 1 117 H . GLY 117 -4.838 35.796 16.920 1.000 12.492 . 117 GLY AAA H c 1 ATOM 1874 C CA . GLY AAA 1 117 CA . GLY 117 -4.257 37.478 15.927 1.000 12.326 . 117 GLY AAA CA . 1 ATOM 1875 H HA3 . GLY AAA 1 117 HA3 . GLY 117 -3.504 38.066 16.187 1.000 12.559 . 117 GLY AAA HA3 c 1 ATOM 1876 H HA2 . GLY AAA 1 117 HA2 . GLY 117 -5.086 37.894 16.270 1.000 12.541 . 117 GLY AAA HA2 c 1 ATOM 1877 C C . GLY AAA 1 117 C . GLY 117 -4.332 37.411 14.398 1.000 12.892 . 117 GLY AAA C . 1 ATOM 1878 O O . GLY AAA 1 117 O . GLY 117 -4.280 38.459 13.753 1.000 13.413 . 117 GLY AAA O . 1 ATOM 1880 N N . THR AAA 1 118 N . THR 118 -4.439 36.217 13.829 1.000 13.431 . 118 THR AAA N . 1 ATOM 1881 H H . THR AAA 1 118 H . THR 118 -4.472 35.423 14.272 1.000 13.265 . 118 THR AAA H c 1 ATOM 1882 C CA . THR AAA 1 118 CA . THR 118 -4.532 36.084 12.379 1.000 13.290 . 118 THR AAA CA . 1 ATOM 1883 H HA . THR AAA 1 118 HA . THR 118 -4.476 36.983 11.983 1.000 13.489 . 118 THR AAA HA c 1 ATOM 1884 C CB . THR AAA 1 118 CB . THR 118 -3.379 35.238 11.818 1.000 13.738 . 118 THR AAA CB . 1 ATOM 1885 H HB . THR AAA 1 118 HB . THR 118 -3.347 35.368 10.840 1.000 13.704 . 118 THR AAA HB c 1 ATOM 1886 O OG1 . THR AAA 1 118 OG1 . THR 118 -3.605 33.861 12.091 1.000 12.878 . 118 THR AAA OG1 . 1 ATOM 1887 H HG1 . THR AAA 1 118 HG1 . THR 118 -2.967 33.394 11.781 0.000 12.630 . 118 THR AAA HG1 c 1 ATOM 1888 C CG2 . THR AAA 1 118 CG2 . THR 118 -2.032 35.620 12.403 1.000 14.946 . 118 THR AAA CG2 . 1 ATOM 1889 H HG21 . THR AAA 1 118 HG21 . THR 118 -1.877 36.573 12.269 1.000 14.563 . 118 THR AAA HG21 c 1 ATOM 1890 H HG22 . THR AAA 1 118 HG22 . THR 118 -1.329 35.112 11.960 1.000 14.563 . 118 THR AAA HG22 c 1 ATOM 1891 H HG23 . THR AAA 1 118 HG23 . THR 118 -2.022 35.421 13.357 1.000 14.561 . 118 THR AAA HG23 c 1 ATOM 1892 C C . THR AAA 1 118 C . THR 118 -5.857 35.465 11.969 1.000 13.760 . 118 THR AAA C . 1 ATOM 1893 O O . THR AAA 1 118 O . THR 118 -6.663 35.096 12.819 1.000 13.204 . 118 THR AAA O . 1 ATOM 1895 N N . ASP AAA 1 119 N . ASP 119 -6.060 35.429 10.651 1.000 14.240 . 119 ASP AAA N . 1 ATOM 1896 H H . ASP AAA 1 119 H . ASP 119 -5.481 35.793 10.049 1.000 14.068 . 119 ASP AAA H c 1 ATOM 1897 C CA . ASP AAA 1 119 CA . ASP 119 -7.245 34.810 10.049 1.000 13.998 . 119 ASP AAA CA . 1 ATOM 1898 H HA . ASP AAA 1 119 HA . ASP 119 -8.054 35.068 10.550 1.000 14.119 . 119 ASP AAA HA c 1 ATOM 1899 C CB . ASP AAA 1 119 CB . ASP 119 -7.367 35.210 8.578 1.000 14.694 . 119 ASP AAA CB . 1 ATOM 1900 H HB3 . ASP AAA 1 119 HB3 . ASP 119 -6.545 34.974 8.101 1.000 14.630 . 119 ASP AAA HB3 c 1 ATOM 1901 H HB2 . ASP AAA 1 119 HB2 . ASP 119 -7.492 36.179 8.515 1.000 14.631 . 119 ASP AAA HB2 c 1 ATOM 1902 C CG . ASP AAA 1 119 CG . ASP 119 -8.543 34.523 7.899 1.000 15.145 . 119 ASP AAA CG . 1 ATOM 1903 O OD1 . ASP AAA 1 119 OD1 . ASP 119 -9.056 33.525 8.459 1.000 16.058 . 119 ASP AAA OD1 . 1 ATOM 1904 O OD2 . ASP AAA 1 119 OD2 . ASP 119 -8.943 34.985 6.812 1.000 16.636 . 119 ASP AAA OD2 . 1 ATOM 1905 C C . ASP AAA 1 119 C . ASP 119 -7.010 33.310 10.155 1.000 13.724 . 119 ASP AAA C . 1 ATOM 1906 O O . ASP AAA 1 119 O . ASP 119 -6.382 32.720 9.268 1.000 14.666 . 119 ASP AAA O . 1 ATOM 1908 N N . VAL AAA 1 120 N . VAL 120 -7.448 32.698 11.256 1.000 15.031 . 120 VAL AAA N . 1 ATOM 1909 H H . VAL AAA 1 120 H . VAL 120 -7.877 33.138 11.925 1.000 14.371 . 120 VAL AAA H c 1 ATOM 1910 C CA . VAL AAA 1 120 CA . VAL 120 -7.270 31.231 11.488 1.000 13.631 . 120 VAL AAA CA . 1 ATOM 1911 H HA . VAL AAA 1 120 HA . VAL 120 -6.386 30.993 11.163 1.000 13.818 . 120 VAL AAA HA c 1 ATOM 1912 C CB . VAL AAA 1 120 CB . VAL 120 -7.316 30.890 12.992 1.000 13.225 . 120 VAL AAA CB . 1 ATOM 1913 H HB . VAL AAA 1 120 HB . VAL 120 -7.279 29.908 13.093 1.000 13.535 . 120 VAL AAA HB c 1 ATOM 1914 C CG1 . VAL AAA 1 120 CG1 . VAL 120 -6.116 31.501 13.694 1.000 13.551 . 120 VAL AAA CG1 . 1 ATOM 1915 H HG11 . VAL AAA 1 120 HG11 . VAL 120 -5.297 31.161 13.292 1.000 13.450 . 120 VAL AAA HG11 c 1 ATOM 1916 H HG12 . VAL AAA 1 120 HG12 . VAL 120 -6.136 31.265 14.637 1.000 13.445 . 120 VAL AAA HG12 c 1 ATOM 1917 H HG13 . VAL AAA 1 120 HG13 . VAL 120 -6.143 32.469 13.602 1.000 13.452 . 120 VAL AAA HG13 c 1 ATOM 1918 C CG2 . VAL AAA 1 120 CG2 . VAL 120 -8.587 31.402 13.645 1.000 14.177 . 120 VAL AAA CG2 . 1 ATOM 1919 H HG21 . VAL AAA 1 120 HG21 . VAL 120 -8.572 32.374 13.678 1.000 13.880 . 120 VAL AAA HG21 c 1 ATOM 1920 H HG22 . VAL AAA 1 120 HG22 . VAL 120 -8.648 31.051 14.552 1.000 13.875 . 120 VAL AAA HG22 c 1 ATOM 1921 H HG23 . VAL AAA 1 120 HG23 . VAL 120 -9.360 31.106 13.133 1.000 13.877 . 120 VAL AAA HG23 c 1 ATOM 1922 C C . VAL AAA 1 120 C . VAL 120 -8.285 30.406 10.706 1.000 13.666 . 120 VAL AAA C . 1 ATOM 1923 O O . VAL AAA 1 120 O . VAL 120 -8.040 29.238 10.462 1.000 13.504 . 120 VAL AAA O . 1 ATOM 1925 N N . GLN AAA 1 121 N . GLN 121 -9.413 30.985 10.349 1.000 14.266 . 121 GLN AAA N . 1 ATOM 1926 H H . GLN AAA 1 121 H . GLN 121 -9.609 31.854 10.541 1.000 14.153 . 121 GLN AAA H c 1 ATOM 1927 C CA . GLN AAA 1 121 CA . GLN 121 -10.464 30.279 9.614 1.000 14.381 . 121 GLN AAA CA . 1 ATOM 1928 H HA . GLN AAA 1 121 HA . GLN 121 -10.741 29.493 10.135 1.000 14.344 . 121 GLN AAA HA c 1 ATOM 1929 C CB . GLN AAA 1 121 CB . GLN 121 -11.669 31.167 9.369 1.000 14.926 . 121 GLN AAA CB . 1 ATOM 1930 H HB3 . GLN AAA 1 121 HB3 . GLN 121 -11.420 31.868 8.731 1.000 14.680 . 121 GLN AAA HB3 c 1 ATOM 1931 H HB2 . GLN AAA 1 121 HB2 . GLN 121 -11.914 31.602 10.213 1.000 14.681 . 121 GLN AAA HB2 c 1 ATOM 1932 C CG . GLN AAA 1 121 CG . GLN 121 -12.892 30.389 8.829 1.000 14.448 . 121 GLN AAA CG . 1 ATOM 1933 H HG3 . GLN AAA 1 121 HG3 . GLN 121 -13.709 30.873 9.069 1.000 14.524 . 121 GLN AAA HG3 c 1 ATOM 1934 H HG2 . GLN AAA 1 121 HG2 . GLN 121 -12.928 29.510 9.263 1.000 14.523 . 121 GLN AAA HG2 c 1 ATOM 1935 C CD . GLN AAA 1 121 CD . GLN 121 -12.864 30.191 7.319 1.000 14.300 . 121 GLN AAA CD . 1 ATOM 1936 O OE1 . GLN AAA 1 121 OE1 . GLN 121 -12.169 30.955 6.614 1.000 14.608 . 121 GLN AAA OE1 . 1 ATOM 1937 N NE2 . GLN AAA 1 121 NE2 . GLN 121 -13.600 29.200 6.823 1.000 15.582 . 121 GLN AAA NE2 . 1 ATOM 1938 H HE21 . GLN AAA 1 121 HE21 . GLN 121 -13.611 29.048 5.950 0.000 15.470 . 121 GLN AAA HE21 c 1 ATOM 1939 H HE22 . GLN AAA 1 121 HE22 . GLN 121 -14.076 28.685 7.362 0.000 15.470 . 121 GLN AAA HE22 c 1 ATOM 1940 C C . GLN AAA 1 121 C . GLN 121 -9.869 29.809 8.277 1.000 13.772 . 121 GLN AAA C . 1 ATOM 1941 O O . GLN AAA 1 121 O . GLN 121 -10.317 28.833 7.712 1.000 13.171 . 121 GLN AAA O . 1 ATOM 1943 N N . ALA AAA 1 122 N . ALA 122 -8.900 30.550 7.764 1.000 14.101 . 122 ALA AAA N . 1 ATOM 1944 H H . ALA AAA 1 122 H . ALA 122 -8.594 31.330 8.122 1.000 13.851 . 122 ALA AAA H c 1 ATOM 1945 C CA . ALA AAA 1 122 CA . ALA 122 -8.239 30.190 6.494 1.000 13.393 . 122 ALA AAA CA . 1 ATOM 1946 H HA . ALA AAA 1 122 HA . ALA 122 -8.898 30.253 5.766 1.000 13.546 . 122 ALA AAA HA c 1 ATOM 1947 C CB . ALA AAA 1 122 CB . ALA 122 -7.119 31.155 6.230 1.000 13.186 . 122 ALA AAA CB . 1 ATOM 1948 H HB3 . ALA AAA 1 122 HB3 . ALA 122 -6.482 31.122 6.963 1.000 13.249 . 122 ALA AAA HB3 c 1 ATOM 1949 H HB2 . ALA AAA 1 122 HB2 . ALA 122 -7.477 32.056 6.154 1.000 13.251 . 122 ALA AAA HB2 c 1 ATOM 1950 H HB1 . ALA AAA 1 122 HB1 . ALA 122 -6.671 30.914 5.402 1.000 13.249 . 122 ALA AAA HB1 c 1 ATOM 1951 C C . ALA AAA 1 122 C . ALA 122 -7.703 28.756 6.546 1.000 13.594 . 122 ALA AAA C . 1 ATOM 1952 O O . ALA AAA 1 122 O . ALA 122 -7.625 28.094 5.514 1.000 13.955 . 122 ALA AAA O . 1 ATOM 1954 N N . TRP AAA 1 123 N . TRP 123 -7.342 28.248 7.736 1.000 13.133 . 123 TRP AAA N . 1 ATOM 1955 H H . TRP AAA 1 123 H . TRP 123 -7.419 28.700 8.522 1.000 13.577 . 123 TRP AAA H c 1 ATOM 1956 C CA . TRP AAA 1 123 CA . TRP 123 -6.755 26.897 7.875 1.000 14.567 . 123 TRP AAA CA . 1 ATOM 1957 H HA . TRP AAA 1 123 HA . TRP 123 -6.040 26.811 7.200 1.000 14.417 . 123 TRP AAA HA c 1 ATOM 1958 C CB . TRP AAA 1 123 CB . TRP 123 -6.106 26.764 9.259 1.000 14.365 . 123 TRP AAA CB . 1 ATOM 1959 H HB3 . TRP AAA 1 123 HB3 . TRP 123 -5.851 25.829 9.399 1.000 14.453 . 123 TRP AAA HB3 c 1 ATOM 1960 H HB2 . TRP AAA 1 123 HB2 . TRP 123 -6.762 27.008 9.942 1.000 14.448 . 123 TRP AAA HB2 c 1 ATOM 1961 C CG . TRP AAA 1 123 CG . TRP 123 -4.899 27.637 9.383 1.000 14.533 . 123 TRP AAA CG . 1 ATOM 1962 C CD1 . TRP AAA 1 123 CD1 . TRP 123 -4.855 28.930 9.797 1.000 14.799 . 123 TRP AAA CD1 . 1 ATOM 1963 H HD1 . TRP AAA 1 123 HD1 . TRP 123 -5.593 29.425 10.101 1.000 14.823 . 123 TRP AAA HD1 c 1 ATOM 1964 N NE1 . TRP AAA 1 123 NE1 . TRP 123 -3.597 29.411 9.706 1.000 14.964 . 123 TRP AAA NE1 . 1 ATOM 1965 H HE1 . TRP AAA 1 123 HE1 . TRP 123 -3.352 30.213 9.937 1.000 14.757 . 123 TRP AAA HE1 c 1 ATOM 1966 C CE2 . TRP AAA 1 123 CE2 . TRP 123 -2.767 28.440 9.214 1.000 13.888 . 123 TRP AAA CE2 . 1 ATOM 1967 C CD2 . TRP AAA 1 123 CD2 . TRP 123 -3.562 27.309 8.980 1.000 14.985 . 123 TRP AAA CD2 . 1 ATOM 1968 C CE3 . TRP AAA 1 123 CE3 . TRP 123 -2.953 26.139 8.493 1.000 13.889 . 123 TRP AAA CE3 . 1 ATOM 1969 H HE3 . TRP AAA 1 123 HE3 . TRP 123 -3.471 25.373 8.304 1.000 14.794 . 123 TRP AAA HE3 c 1 ATOM 1970 C CZ3 . TRP AAA 1 123 CZ3 . TRP 123 -1.595 26.167 8.201 1.000 16.577 . 123 TRP AAA CZ3 . 1 ATOM 1971 H HZ3 . TRP AAA 1 123 HZ3 . TRP 123 -1.178 25.392 7.863 1.000 15.759 . 123 TRP AAA HZ3 c 1 ATOM 1972 C CH2 . TRP AAA 1 123 CH2 . TRP 123 -0.821 27.314 8.457 1.000 16.449 . 123 TRP AAA CH2 . 1 ATOM 1973 H HH2 . TRP AAA 1 123 HH2 . TRP 123 0.100 27.304 8.269 1.000 16.262 . 123 TRP AAA HH2 c 1 ATOM 1974 C CZ2 . TRP AAA 1 123 CZ2 . TRP 123 -1.394 28.463 8.942 1.000 16.448 . 123 TRP AAA CZ2 . 1 ATOM 1975 H HZ2 . TRP AAA 1 123 HZ2 . TRP 123 -0.877 29.231 9.119 1.000 15.714 . 123 TRP AAA HZ2 c 1 ATOM 1976 C C . TRP AAA 1 123 C . TRP 123 -7.795 25.787 7.628 1.000 15.531 . 123 TRP AAA C . 1 ATOM 1977 O O . TRP AAA 1 123 O . TRP 123 -7.408 24.625 7.412 1.000 15.973 . 123 TRP AAA O . 1 ATOM 1979 N N . ILE AAA 1 124 N . ILE 124 -9.092 26.089 7.727 1.000 15.989 . 124 ILE AAA N . 1 ATOM 1980 H H . ILE AAA 1 124 H . ILE 124 -9.411 26.910 7.954 1.000 15.902 . 124 ILE AAA H c 1 ATOM 1981 C CA . ILE AAA 1 124 CA . ILE 124 -10.127 25.053 7.478 1.000 16.091 . 124 ILE AAA CA . 1 ATOM 1982 H HA . ILE AAA 1 124 HA . ILE 124 -9.680 24.199 7.347 1.000 16.213 . 124 ILE AAA HA c 1 ATOM 1983 C CB . ILE AAA 1 124 CB . ILE 124 -11.063 24.911 8.674 1.000 16.060 . 124 ILE AAA CB . 1 ATOM 1984 H HB . ILE AAA 1 124 HB . ILE 124 -11.742 24.234 8.435 1.000 16.367 . 124 ILE AAA HB c 1 ATOM 1985 C CG1 . ILE AAA 1 124 CG1 . ILE 124 -11.806 26.209 8.961 1.000 16.391 . 124 ILE AAA CG1 . 1 ATOM 1986 H HG12 . ILE AAA 1 124 HG12 . ILE 124 -12.187 26.551 8.124 1.000 16.373 . 124 ILE AAA HG12 c 1 ATOM 1987 H HG13 . ILE AAA 1 124 HG13 . ILE 124 -11.166 26.873 9.294 1.000 16.365 . 124 ILE AAA HG13 c 1 ATOM 1988 C CG2 . ILE AAA 1 124 CG2 . ILE 124 -10.298 24.377 9.889 1.000 17.347 . 124 ILE AAA CG2 . 1 ATOM 1989 H HG21 . ILE AAA 1 124 HG21 . ILE 124 -9.842 23.551 9.649 1.000 16.940 . 124 ILE AAA HG21 c 1 ATOM 1990 H HG22 . ILE AAA 1 124 HG22 . ILE 124 -10.919 24.201 10.617 1.000 16.939 . 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 16.651 . 124 ILE AAA CD1 . 1 ATOM 1992 H HD11 . ILE AAA 1 124 HD11 . ILE 124 -13.506 25.359 9.673 1.000 16.572 . 124 ILE AAA HD11 c 1 ATOM 1993 H HD12 . ILE AAA 1 124 HD12 . ILE 124 -13.387 26.903 10.028 1.000 16.572 . 124 ILE AAA HD12 c 1 ATOM 1994 H HD13 . ILE AAA 1 124 HD13 . ILE 124 -12.522 25.837 10.824 1.000 16.574 . 124 ILE AAA HD13 c 1 ATOM 1995 H HG23 . ILE AAA 1 124 HG23 . ILE 124 -9.641 25.035 10.176 1.000 16.938 . 124 ILE AAA HG23 c 1 ATOM 1996 C C . ILE AAA 1 124 C . ILE 124 -10.896 25.383 6.203 1.000 16.890 . 124 ILE AAA C . 1 ATOM 1997 O O . ILE AAA 1 124 O . ILE 124 -11.837 24.668 5.886 1.000 15.766 . 124 ILE AAA O . 1 ATOM 1999 N N . ARG AAA 1 125 N . ARG 125 -10.516 26.447 5.525 1.000 17.574 . 125 ARG AAA N . 1 ATOM 2000 H H . ARG AAA 1 125 H . ARG 125 -9.798 26.950 5.762 1.000 17.550 . 125 ARG AAA H c 1 ATOM 2001 C CA . ARG AAA 1 125 CA . ARG 125 -11.190 26.922 4.300 1.000 18.248 . 125 ARG AAA CA . 1 ATOM 2002 H HA . ARG AAA 1 125 HA . ARG 125 -12.131 27.110 4.521 1.000 17.971 . 125 ARG AAA HA c 1 ATOM 2003 C CB . ARG AAA 1 125 CB . ARG 125 -10.539 28.209 3.810 1.000 18.983 . 125 ARG AAA CB . 1 ATOM 2004 H HB3 . ARG AAA 1 125 HB3 . ARG 125 -9.666 27.988 3.424 1.000 18.670 . 125 ARG AAA HB3 c 1 ATOM 2005 H HB2 . ARG AAA 1 125 HB2 . ARG 125 -10.385 28.791 4.583 1.000 18.676 . 125 ARG AAA HB2 c 1 ATOM 2006 C CG . ARG AAA 1 125 CG . ARG 125 -11.355 28.973 2.772 1.000 18.413 . 125 ARG AAA CG . 1 ATOM 2007 H HG3 . ARG AAA 1 125 HG3 . ARG 125 -12.289 29.037 3.065 1.000 19.078 . 125 ARG AAA HG3 c 1 ATOM 2008 H HG2 . ARG AAA 1 125 HG2 . ARG 125 -11.331 28.496 1.915 1.000 19.073 . 125 ARG AAA HG2 c 1 ATOM 2009 C CD . ARG AAA 1 125 CD . ARG 125 -10.786 30.366 2.589 1.000 20.733 . 125 ARG AAA CD . 1 ATOM 2010 H HD3 . ARG AAA 1 125 HD3 . ARG 125 -11.288 30.844 1.895 1.000 20.601 . 125 ARG AAA HD3 c 1 ATOM 2011 H HD2 . ARG AAA 1 125 HD2 . ARG 125 -9.847 30.305 2.311 1.000 20.608 . 125 ARG AAA HD2 c 1 ATOM 2012 N NE . ARG AAA 1 125 NE . ARG 125 -10.888 31.079 3.859 1.000 22.716 . 125 ARG AAA NE . 1 ATOM 2013 H HE . ARG AAA 1 125 HE . ARG 125 -11.532 30.841 4.398 1.000 22.357 . 125 ARG AAA HE c 1 ATOM 2014 C CZ . ARG AAA 1 125 CZ . ARG 125 -10.155 32.132 4.220 1.000 23.337 . 125 ARG AAA CZ . 1 ATOM 2015 N NH1 . ARG AAA 1 125 NH1 . ARG 125 -9.140 32.549 3.484 1.000 22.015 . 125 ARG AAA NH1 . 1 ATOM 2016 H HH11 . ARG AAA 1 125 HH11 . ARG 125 -8.990 32.194 2.697 1.000 22.416 . 125 ARG AAA HH11 c 1 ATOM 2017 H HH12 . ARG AAA 1 125 HH12 . ARG 125 -8.656 33.231 3.756 1.000 22.421 . 125 ARG AAA HH12 c 1 ATOM 2018 N NH2 . ARG AAA 1 125 NH2 . ARG 125 -10.340 32.680 5.405 1.000 23.175 . 125 ARG AAA NH2 . 1 ATOM 2019 H HH21 . ARG AAA 1 125 HH21 . ARG 125 -10.990 32.394 5.924 1.000 23.130 . 125 ARG AAA HH21 c 1 ATOM 2020 H HH22 . ARG AAA 1 125 HH22 . ARG 125 -9.835 33.354 5.661 1.000 23.115 . 125 ARG AAA HH22 c 1 ATOM 2021 C C . ARG AAA 1 125 C . ARG 125 -11.147 25.799 3.264 1.000 16.828 . 125 ARG AAA C . 1 ATOM 2022 O O . ARG AAA 1 125 O . ARG 125 -10.107 25.174 3.048 1.000 17.400 . 125 ARG AAA O . 1 ATOM 2024 N N . GLY AAA 1 126 N . GLY 126 -12.264 25.582 2.598 1.000 17.200 . 126 GLY AAA N . 1 ATOM 2025 H H . GLY AAA 1 126 H . GLY 126 -13.035 26.035 2.770 1.000 17.172 . 126 GLY AAA H c 1 ATOM 2026 C CA . GLY AAA 1 126 CA . GLY 126 -12.364 24.590 1.521 1.000 17.440 . 126 GLY AAA CA . 1 ATOM 2027 H HA3 . GLY AAA 1 126 HA3 . GLY 126 -11.506 24.563 1.028 1.000 17.535 . 126 GLY AAA HA3 c 1 ATOM 2028 H HA2 . GLY AAA 1 126 HA2 . GLY 126 -13.063 24.884 0.886 1.000 17.537 . 126 GLY AAA HA2 c 1 ATOM 2029 C C . GLY AAA 1 126 C . GLY 126 -12.696 23.208 2.004 1.000 18.106 . 126 GLY AAA C . 1 ATOM 2030 O O . GLY AAA 1 126 O . GLY 126 -13.065 22.366 1.164 1.000 19.764 . 126 GLY AAA O . 1 ATOM 2032 N N . CYS AAA 1 127 N . CYS 127 -12.579 22.941 3.306 1.000 19.554 . 127 CYS AAA N . 1 ATOM 2033 H H . CYS AAA 1 127 H . CYS 127 -12.363 23.560 3.935 1.000 19.208 . 127 CYS AAA H c 1 ATOM 2034 C CA . CYS AAA 1 127 CA . CYS 127 -12.806 21.598 3.886 1.000 19.623 . 127 CYS AAA CA . 1 ATOM 2035 H HA . CYS AAA 1 127 HA . CYS 127 -12.411 20.929 3.282 1.000 19.613 . 127 CYS AAA HA c 1 ATOM 2036 C CB . CYS AAA 1 127 CB . CYS 127 -12.133 21.489 5.250 1.000 19.325 . 127 CYS AAA CB . 1 ATOM 2037 H HB3 . CYS AAA 1 127 HB3 . CYS 127 -12.293 20.591 5.606 1.000 19.135 . 127 CYS AAA HB3 c 1 ATOM 2038 H HB2 . CYS AAA 1 127 HB2 . CYS 127 -12.555 22.127 5.860 1.000 19.121 . 127 CYS AAA HB2 c 1 ATOM 2039 S SG . CYS AAA 1 127 SG . CYS 127 -10.334 21.790 5.269 1.000 18.211 . 127 CYS AAA SG . 1 ATOM 2040 C C . CYS AAA 1 127 C . CYS 127 -14.319 21.329 4.004 1.000 19.972 . 127 CYS AAA C . 1 ATOM 2041 O O . CYS AAA 1 127 O . CYS 127 -15.077 22.257 4.318 1.000 20.519 . 127 CYS AAA O . 1 ATOM 2043 N N . ARG AAA 1 128 N . ARG 128 -14.723 20.086 3.830 1.000 20.192 . 128 ARG AAA N . 1 ATOM 2044 H H . ARG AAA 1 128 H . ARG 128 -14.153 19.419 3.584 1.000 20.319 . 128 ARG AAA H c 1 ATOM 2045 C CA . ARG AAA 1 128 CA . ARG 128 -16.119 19.631 4.011 1.000 20.983 . 128 ARG AAA CA . 1 ATOM 2046 H HA . ARG AAA 1 128 HA . ARG 128 -16.729 20.396 3.901 1.000 20.699 . 128 ARG AAA HA c 1 ATOM 2047 C CB . ARG AAA 1 128 CB . ARG 128 -16.520 18.508 3.045 1.000 20.394 . 128 ARG AAA CB . 1 ATOM 2048 H HB3 . ARG AAA 1 128 HB3 . ARG 128 -17.330 18.079 3.393 1.000 20.219 . 128 ARG AAA HB3 c 1 ATOM 2049 H HB2 . ARG AAA 1 128 HB2 . ARG 128 -15.807 17.835 3.046 1.000 20.217 . 128 ARG AAA HB2 c 1 ATOM 2050 C CG . ARG AAA 1 128 CG . ARG 128 -16.779 18.924 1.618 1.000 19.081 . 128 ARG AAA CG . 1 ATOM 2051 H HG3 . ARG AAA 1 128 HG3 . ARG 128 -16.011 19.430 1.278 1.000 19.541 . 128 ARG AAA HG3 c 1 ATOM 2052 H HG2 . ARG AAA 1 128 HG2 . ARG 128 -17.573 19.499 1.578 1.000 19.539 . 128 ARG AAA HG2 c 1 ATOM 2053 C CD . ARG AAA 1 128 CD . ARG 128 -16.998 17.696 0.757 1.000 19.756 . 128 ARG AAA CD . 1 ATOM 2054 H HD3 . ARG AAA 1 128 HD3 . ARG 128 -16.410 16.974 1.065 1.000 19.565 . 128 ARG AAA HD3 c 1 ATOM 2055 H HD2 . ARG AAA 1 128 HD2 . ARG 128 -16.758 17.900 -0.170 1.000 19.559 . 128 ARG AAA HD2 c 1 ATOM 2056 N NE . ARG AAA 1 128 NE . ARG 128 -18.403 17.239 0.817 1.000 19.616 . 128 ARG AAA NE . 1 ATOM 2057 H HE . ARG AAA 1 128 HE . ARG 128 -18.578 16.543 1.313 1.000 19.231 . 128 ARG AAA HE c 1 ATOM 2058 C CZ . ARG AAA 1 128 CZ . ARG 128 -19.425 17.793 0.157 1.000 18.060 . 128 ARG AAA CZ . 1 ATOM 2059 N NH1 . ARG AAA 1 128 NH1 . ARG 128 -19.187 18.838 -0.631 1.000 18.874 . 128 ARG AAA NH1 . 1 ATOM 2060 H HH11 . ARG AAA 1 128 HH11 . ARG 128 -18.379 19.169 -0.700 1.000 18.656 . 128 ARG AAA HH11 c 1 ATOM 2061 H HH12 . ARG AAA 1 128 HH12 . ARG 128 -19.851 19.209 -1.072 1.000 18.653 . 128 ARG AAA HH12 c 1 ATOM 2062 N NH2 . ARG AAA 1 128 NH2 . ARG 128 -20.660 17.272 0.251 1.000 18.628 . 128 ARG AAA NH2 . 1 ATOM 2063 H HH21 . ARG AAA 1 128 HH21 . ARG 128 -20.805 16.579 0.765 1.000 18.503 . 128 ARG AAA HH21 c 1 ATOM 2064 H HH22 . ARG AAA 1 128 HH22 . ARG 128 -21.327 17.645 -0.188 1.000 18.503 . 128 ARG AAA HH22 c 1 ATOM 2065 C C . ARG AAA 1 128 C . ARG 128 -16.170 19.143 5.447 1.000 20.881 . 128 ARG AAA C . 1 ATOM 2066 O O . ARG AAA 1 128 O . ARG 128 -15.890 17.961 5.680 1.000 23.373 . 128 ARG AAA O . 1 ATOM 2068 N N . LEU AAA 1 129 N . LEU 129 -16.456 20.028 6.371 1.000 21.844 . 129 LEU AAA N . 1 ATOM 2069 H H . LEU AAA 1 129 H . LEU 129 -16.655 20.899 6.190 1.000 21.874 . 129 LEU AAA H c 1 ATOM 2070 C CA . LEU AAA 1 129 CA . LEU 129 -16.477 19.673 7.797 1.000 23.009 . 129 LEU AAA CA . 1 ATOM 2071 H HA . LEU AAA 1 129 HA . LEU 129 -16.160 18.747 7.898 1.000 23.126 . 129 LEU AAA HA c 1 ATOM 2072 C CB . LEU AAA 1 129 CB . LEU 129 -15.543 20.614 8.549 1.000 24.522 . 129 LEU AAA CB . 1 ATOM 2073 H HB3 . LEU AAA 1 129 HB3 . LEU 129 -15.613 20.423 9.505 1.000 23.987 . 129 LEU AAA HB3 c 1 ATOM 2074 H HB2 . LEU AAA 1 129 HB2 . LEU 129 -15.849 21.532 8.406 1.000 23.988 . 129 LEU AAA HB2 c 1 ATOM 2075 C CG . LEU AAA 1 129 CG . LEU 129 -14.082 20.518 8.139 1.000 23.801 . 129 LEU AAA CG . 1 ATOM 2076 H HG . LEU AAA 1 129 HG . LEU 129 -14.023 20.642 7.161 1.000 24.103 . 129 LEU AAA HG c 1 ATOM 2077 C CD1 . LEU AAA 1 129 CD1 . LEU 129 -13.332 21.619 8.799 1.000 23.923 . 129 LEU AAA CD1 . 1 ATOM 2078 H HD11 . LEU AAA 1 129 HD11 . LEU 129 -13.676 22.476 8.493 1.000 23.860 . 129 LEU AAA HD11 c 1 ATOM 2079 H HD12 . LEU AAA 1 129 HD12 . LEU 129 -12.388 21.549 8.574 1.000 23.860 . 129 LEU AAA HD12 c 1 ATOM 2080 H HD13 . LEU AAA 1 129 HD13 . LEU 129 -13.441 21.551 9.762 1.000 23.778 . 129 LEU AAA HD13 c 1 ATOM 2081 C CD2 . LEU AAA 1 129 CD2 . LEU 129 -13.462 19.166 8.496 1.000 24.693 . 129 LEU AAA CD2 . 1 ATOM 2082 H HD21 . LEU AAA 1 129 HD21 . LEU 129 -13.573 19.000 9.449 1.000 24.369 . 129 LEU AAA HD21 c 1 ATOM 2083 H HD22 . LEU AAA 1 129 HD22 . LEU 129 -12.514 19.177 8.278 1.000 24.403 . 129 LEU AAA HD22 c 1 ATOM 2084 H HD23 . LEU AAA 1 129 HD23 . LEU 129 -13.902 18.461 7.991 1.000 24.399 . 129 LEU AAA HD23 c 1 ATOM 2085 C C . LEU AAA 1 129 C . LEU 129 -17.892 19.765 8.340 1.000 23.347 . 129 LEU AAA C . 1 ATOM 2086 O O . LEU AAA 1 129 O . LEU 129 -18.254 18.763 9.013 1.000 22.925 . 129 LEU AAA O . 1 ATOM 2087 O OXT . LEU AAA 1 129 OXT . LEU 129 -18.590 20.804 8.133 1.000 23.841 . 129 LEU AAA OXT . 1 HETATM 2088 N N1 . DO3 AaA 2 . N1 . DO3 284 2.457 24.947 34.480 0.810 19.109 . 284 DO3 AaA N1 . 1 HETATM 2089 N N2 . DO3 AaA 2 . N2 . DO3 284 3.666 25.185 37.033 0.810 17.430 . 284 DO3 AaA N2 . 1 HETATM 2090 N N3 . DO3 AaA 2 . N3 . DO3 284 2.668 22.551 37.887 0.810 18.438 . 284 DO3 AaA N3 . 1 HETATM 2091 N N4 . DO3 AaA 2 . N4 . DO3 284 1.297 22.358 35.323 0.810 19.497 . 284 DO3 AaA N4 . 1 HETATM 2092 O O1 . DO3 AaA 2 . O1 . DO3 284 0.626 26.570 35.958 0.810 22.531 . 284 DO3 AaA O1 . 1 HETATM 2093 O O3 . DO3 AaA 2 . O3 . DO3 284 1.542 25.855 38.618 0.810 15.039 . 284 DO3 AaA O3 . 1 HETATM 2094 O O5 . DO3 AaA 2 . O5 . DO3 284 -0.036 22.928 38.530 0.810 19.498 . 284 DO3 AaA O5 . 1 HETATM 2095 O O7 . DO3 AaA 2 . O7 . DO3 284 -0.809 24.052 35.666 0.810 17.608 . 284 DO3 AaA O7 . 1 HETATM 2096 C C1 . DO3 AaA 2 . C1 . DO3 284 3.744 25.635 34.577 0.810 18.679 . 284 DO3 AaA C1 . 1 HETATM 2097 C C2 . DO3 AaA 2 . C2 . DO3 284 4.489 25.274 35.793 0.810 18.296 . 284 DO3 AaA C2 . 1 HETATM 2098 C C3 . DO3 AaA 2 . C3 . DO3 284 4.408 24.313 37.937 0.810 18.819 . 284 DO3 AaA C3 . 1 HETATM 2099 C C4 . DO3 AaA 2 . C4 . DO3 284 4.094 22.863 37.867 0.810 18.649 . 284 DO3 AaA C4 . 1 HETATM 2100 C C5 . DO3 AaA 2 . C5 . DO3 284 2.429 21.275 37.198 0.810 20.054 . 284 DO3 AaA C5 . 1 HETATM 2101 C C6 . DO3 AaA 2 . C6 . DO3 284 2.180 21.309 35.739 0.810 20.238 . 284 DO3 AaA C6 . 1 HETATM 2102 C C7 . DO3 AaA 2 . C7 . DO3 284 1.632 22.641 33.945 0.810 19.201 . 284 DO3 AaA C7 . 1 HETATM 2103 C C8 . DO3 AaA 2 . C8 . DO3 284 2.645 23.722 33.725 0.810 19.730 . 284 DO3 AaA C8 . 1 HETATM 2104 C C9 . DO3 AaA 2 . C9 . DO3 284 0.873 26.888 34.784 0.810 20.084 . 284 DO3 AaA C9 . 1 HETATM 2105 C C10 . DO3 AaA 2 . C10 . DO3 284 1.417 25.804 33.889 0.810 21.290 . 284 DO3 AaA C10 . 1 HETATM 2106 C C11 . DO3 AaA 2 . C11 . DO3 284 2.472 26.681 38.666 0.810 16.020 . 284 DO3 AaA C11 . 1 HETATM 2107 C C12 . DO3 AaA 2 . C12 . DO3 284 3.531 26.555 37.601 0.810 18.259 . 284 DO3 AaA C12 . 1 HETATM 2108 C C13 . DO3 AaA 2 . C13 . DO3 284 0.657 22.499 39.430 0.810 19.296 . 284 DO3 AaA C13 . 1 HETATM 2109 C C14 . DO3 AaA 2 . C14 . DO3 284 2.151 22.475 39.234 0.810 18.459 . 284 DO3 AaA C14 . 1 HETATM 2110 C C15 . DO3 AaA 2 . C15 . DO3 284 -1.163 22.817 35.138 0.810 19.241 . 284 DO3 AaA C15 . 1 HETATM 2111 C C16 . DO3 AaA 2 . C16 . DO3 284 -0.070 21.847 35.449 0.810 20.528 . 284 DO3 AaA C16 . 1 HETATM 2112 C C17 . DO3 AaA 2 . C17 . DO3 284 -2.477 22.421 35.733 0.810 21.085 . 284 DO3 AaA C17 . 1 HETATM 2113 O O2 . DO3 AaA 2 . O2 . DO3 284 0.669 27.993 34.278 0.810 23.050 . 284 DO3 AaA O2 . 1 HETATM 2114 O O4 . DO3 AaA 2 . O4 . DO3 284 2.637 27.531 39.535 0.810 15.298 . 284 DO3 AaA O4 . 1 HETATM 2115 O O6 . DO3 AaA 2 . O6 . DO3 284 0.255 22.062 40.509 0.810 20.585 . 284 DO3 AaA O6 . 1 HETATM 2116 H HO7 . DO3 AaA 2 . HO7 . DO3 284 -0.080 24.300 35.305 0.000 17.580 . 284 DO3 AaA HO7 c 1 HETATM 2117 H HC11 . DO3 AaA 2 . HC11 . DO3 284 4.290 25.417 33.792 0.810 18.694 . 284 DO3 AaA HC11 c 1 HETATM 2118 H HC12 . DO3 AaA 2 . HC12 . DO3 284 3.595 26.604 34.575 0.810 18.698 . 284 DO3 AaA HC12 c 1 HETATM 2119 H HC21 . DO3 AaA 2 . HC21 . DO3 284 4.924 24.410 35.638 0.810 18.184 . 284 DO3 AaA HC21 c 1 HETATM 2120 H HC22 . DO3 AaA 2 . HC22 . DO3 284 5.196 25.937 35.932 0.810 18.177 . 284 DO3 AaA HC22 c 1 HETATM 2121 H HC31 . DO3 AaA 2 . HC31 . DO3 284 4.245 24.611 38.856 0.810 18.436 . 284 DO3 AaA HC31 c 1 HETATM 2122 H HC32 . DO3 AaA 2 . HC32 . DO3 284 5.366 24.426 37.766 0.810 18.440 . 284 DO3 AaA HC32 c 1 HETATM 2123 H HC41 . DO3 AaA 2 . HC41 . DO3 284 4.481 22.506 37.042 0.810 18.650 . 284 DO3 AaA HC41 c 1 HETATM 2124 H HC42 . DO3 AaA 2 . HC42 . DO3 284 4.531 22.410 38.619 0.810 18.641 . 284 DO3 AaA HC42 c 1 HETATM 2125 H HC51 . DO3 AaA 2 . HC51 . DO3 284 1.659 20.839 37.618 0.810 19.697 . 284 DO3 AaA HC51 c 1 HETATM 2126 H HC52 . DO3 AaA 2 . HC52 . DO3 284 3.202 20.694 37.355 0.810 19.697 . 284 DO3 AaA HC52 c 1 HETATM 2127 H HC61 . DO3 AaA 2 . HC61 . DO3 284 3.041 21.420 35.286 0.810 20.002 . 284 DO3 AaA HC61 c 1 HETATM 2128 H HC62 . DO3 AaA 2 . HC62 . DO3 284 1.812 20.447 35.462 0.810 19.986 . 284 DO3 AaA HC62 c 1 HETATM 2129 H HC71 . DO3 AaA 2 . HC71 . DO3 284 0.815 22.894 33.469 0.810 19.400 . 284 DO3 AaA HC71 c 1 HETATM 2130 H HC72 . DO3 AaA 2 . HC72 . DO3 284 1.964 21.820 33.525 0.810 19.400 . 284 DO3 AaA HC72 c 1 HETATM 2131 H HC81 . DO3 AaA 2 . HC81 . DO3 284 3.528 23.355 33.941 0.810 19.452 . 284 DO3 AaA HC81 c 1 HETATM 2132 H HC82 . DO3 AaA 2 . HC82 . DO3 284 2.651 23.945 32.770 0.810 19.460 . 284 DO3 AaA HC82 c 1 HETATM 2133 H H101 . DO3 AaA 2 . H101 . DO3 284 0.677 25.242 33.610 0.810 20.465 . 284 DO3 AaA H101 c 1 HETATM 2134 H H102 . DO3 AaA 2 . H102 . DO3 284 1.780 26.221 33.090 0.810 20.468 . 284 DO3 AaA H102 c 1 HETATM 2135 H H121 . DO3 AaA 2 . H121 . DO3 284 3.321 27.174 36.883 0.810 17.519 . 284 DO3 AaA H121 c 1 HETATM 2136 H H122 . DO3 AaA 2 . H122 . DO3 284 4.385 26.824 37.979 0.810 17.515 . 284 DO3 AaA H122 c 1 HETATM 2137 H H141 . DO3 AaA 2 . H141 . DO3 284 2.524 23.215 39.740 0.810 18.649 . 284 DO3 AaA H141 c 1 HETATM 2138 H H142 . DO3 AaA 2 . H142 . DO3 284 2.490 21.660 39.640 0.810 18.657 . 284 DO3 AaA H142 c 1 HETATM 2139 H HA . DO3 AaA 2 . HA . DO3 284 -1.261 22.896 34.149 0.810 19.472 . 284 DO3 AaA HA c 1 HETATM 2140 H H161 . DO3 AaA 2 . H161 . DO3 284 -0.200 21.523 36.370 0.810 19.975 . 284 DO3 AaA H161 c 1 HETATM 2141 H H162 . DO3 AaA 2 . H162 . DO3 284 -0.172 21.073 34.849 0.810 19.966 . 284 DO3 AaA H162 c 1 HETATM 2142 H H171 . DO3 AaA 2 . H171 . DO3 284 -2.407 21.532 36.125 0.810 20.505 . 284 DO3 AaA H171 c 1 HETATM 2143 H H172 . DO3 AaA 2 . H172 . DO3 284 -3.159 22.415 35.038 0.810 20.496 . 284 DO3 AaA H172 c 1 HETATM 2144 H H173 . DO3 AaA 2 . H173 . DO3 284 -2.727 23.061 36.425 0.810 20.492 . 284 DO3 AaA H173 c 1 HETATM 2145 N N1 . DO3 AbA 2 . N1 . DO3 285 -1.371 30.322 40.259 0.730 18.105 . 285 DO3 AbA N1 . 1 HETATM 2146 N N2 . DO3 AbA 2 . N2 . DO3 285 -3.717 28.813 40.471 0.730 18.051 . 285 DO3 AbA N2 . 1 HETATM 2147 N N3 . DO3 AbA 2 . N3 . DO3 285 -3.063 28.298 43.269 0.730 20.304 . 285 DO3 AbA N3 . 1 HETATM 2148 N N4 . DO3 AbA 2 . N4 . DO3 285 -0.516 29.684 42.976 0.730 18.739 . 285 DO3 AbA N4 . 1 HETATM 2149 O O1 . DO3 AbA 2 . O1 . DO3 285 -0.973 27.954 38.913 0.730 14.995 . 285 DO3 AbA O1 . 1 HETATM 2150 O O3 . DO3 AbA 2 . O3 . DO3 285 -2.798 26.333 40.486 0.730 17.752 . 285 DO3 AbA O3 . 1 HETATM 2151 O O5 . DO3 AbA 2 . O5 . DO3 285 -1.050 26.384 43.149 0.730 18.447 . 285 DO3 AbA O5 . 1 HETATM 2152 O O7 . DO3 AbA 2 . O7 . DO3 285 0.987 27.942 41.516 0.730 16.488 . 285 DO3 AbA O7 . 1 HETATM 2153 C C1 . DO3 AbA 2 . C1 . DO3 285 -2.540 30.777 39.524 0.730 18.888 . 285 DO3 AbA C1 . 1 HETATM 2154 C C2 . DO3 AbA 2 . C2 . DO3 285 -3.781 30.226 40.054 0.730 20.779 . 285 DO3 AbA C2 . 1 HETATM 2155 C C3 . DO3 AbA 2 . C3 . DO3 285 -4.736 28.708 41.519 0.730 19.250 . 285 DO3 AbA C3 . 1 HETATM 2156 C C4 . DO3 AbA 2 . C4 . DO3 285 -4.306 28.954 42.929 0.730 21.126 . 285 DO3 AbA C4 . 1 HETATM 2157 C C5 . DO3 AbA 2 . C5 . DO3 285 -2.451 28.996 44.401 0.730 21.926 . 285 DO3 AbA C5 . 1 HETATM 2158 C C6 . DO3 AbA 2 . C6 . DO3 285 -1.413 30.010 44.063 0.730 19.940 . 285 DO3 AbA C6 . 1 HETATM 2159 C C7 . DO3 AbA 2 . C7 . DO3 285 -0.155 30.962 42.367 0.730 18.708 . 285 DO3 AbA C7 . 1 HETATM 2160 C C8 . DO3 AbA 2 . C8 . DO3 285 -1.022 31.382 41.199 0.730 19.334 . 285 DO3 AbA C8 . 1 HETATM 2161 C C9 . DO3 AbA 2 . C9 . DO3 285 -0.349 28.890 38.447 0.730 15.907 . 285 DO3 AbA C9 . 1 HETATM 2162 C C10 . DO3 AbA 2 . C10 . DO3 285 -0.275 30.116 39.337 0.730 17.463 . 285 DO3 AbA C10 . 1 HETATM 2163 C C11 . DO3 AbA 2 . C11 . DO3 285 -3.752 26.487 39.771 0.730 18.716 . 285 DO3 AbA C11 . 1 HETATM 2164 C C12 . DO3 AbA 2 . C12 . DO3 285 -4.040 27.918 39.399 0.730 20.294 . 285 DO3 AbA C12 . 1 HETATM 2165 C C13 . DO3 AbA 2 . C13 . DO3 285 -2.072 25.968 43.639 0.730 19.316 . 285 DO3 AbA C13 . 1 HETATM 2166 C C14 . DO3 AbA 2 . C14 . DO3 285 -3.306 26.879 43.637 0.730 21.038 . 285 DO3 AbA C14 . 1 HETATM 2167 C C15 . DO3 AbA 2 . C15 . DO3 285 1.674 28.516 42.609 0.730 18.941 . 285 DO3 AbA C15 . 1 HETATM 2168 C C16 . DO3 AbA 2 . C16 . DO3 285 0.674 29.072 43.583 0.730 18.884 . 285 DO3 AbA C16 . 1 HETATM 2169 C C17 . DO3 AbA 2 . C17 . DO3 285 2.596 27.531 43.289 0.730 18.277 . 285 DO3 AbA C17 . 1 HETATM 2170 O O2 . DO3 AbA 2 . O2 . DO3 285 0.204 28.963 37.325 0.730 15.772 . 285 DO3 AbA O2 . 1 HETATM 2171 O O4 . DO3 AbA 2 . O4 . DO3 285 -4.479 25.575 39.318 0.730 19.633 . 285 DO3 AbA O4 . 1 HETATM 2172 O O6 . DO3 AbA 2 . O6 . DO3 285 -2.219 24.844 44.135 0.730 18.346 . 285 DO3 AbA O6 . 1 HETATM 2173 H HO7 . DO3 AbA 2 . HO7 . DO3 285 0.528 28.550 41.141 0.000 16.760 . 285 DO3 AbA HO7 c 1 HETATM 2174 H HC11 . DO3 AbA 2 . HC11 . DO3 285 -2.587 31.756 39.555 0.730 19.122 . 285 DO3 AbA HC11 c 1 HETATM 2175 H HC12 . DO3 AbA 2 . HC12 . DO3 285 -2.457 30.514 38.584 0.730 19.110 . 285 DO3 AbA HC12 c 1 HETATM 2176 H HC21 . DO3 AbA 2 . HC21 . DO3 285 -4.050 30.772 40.822 0.730 19.656 . 285 DO3 AbA HC21 c 1 HETATM 2177 H HC22 . DO3 AbA 2 . HC22 . DO3 285 -4.477 30.321 39.371 0.730 19.656 . 285 DO3 AbA HC22 c 1 HETATM 2178 H HC31 . DO3 AbA 2 . HC31 . DO3 285 -5.124 27.810 41.482 0.730 19.385 . 285 DO3 AbA HC31 c 1 HETATM 2179 H HC32 . DO3 AbA 2 . HC32 . DO3 285 -5.460 29.335 41.312 0.730 19.386 . 285 DO3 AbA HC32 c 1 HETATM 2180 H HC41 . DO3 AbA 2 . HC41 . DO3 285 -4.207 29.920 43.062 0.730 20.481 . 285 DO3 AbA HC41 c 1 HETATM 2181 H HC42 . DO3 AbA 2 . HC42 . DO3 285 -5.010 28.641 43.535 0.730 20.479 . 285 DO3 AbA HC42 c 1 HETATM 2182 H HC51 . DO3 AbA 2 . HC51 . DO3 285 -2.040 28.331 44.989 0.730 21.053 . 285 DO3 AbA HC51 c 1 HETATM 2183 H HC52 . DO3 AbA 2 . HC52 . DO3 285 -3.157 29.439 44.917 0.730 21.055 . 285 DO3 AbA HC52 c 1 HETATM 2184 H HC61 . DO3 AbA 2 . HC61 . DO3 285 -1.877 30.845 43.844 0.730 20.084 . 285 DO3 AbA HC61 c 1 HETATM 2185 H HC62 . DO3 AbA 2 . HC62 . DO3 285 -0.882 30.181 44.869 0.730 20.084 . 285 DO3 AbA HC62 c 1 HETATM 2186 H HC71 . DO3 AbA 2 . HC71 . DO3 285 0.772 30.913 42.055 0.730 18.857 . 285 DO3 AbA HC71 c 1 HETATM 2187 H HC72 . DO3 AbA 2 . HC72 . DO3 285 -0.192 31.664 43.050 0.730 18.867 . 285 DO3 AbA HC72 c 1 HETATM 2188 H HC81 . DO3 AbA 2 . HC81 . DO3 285 -1.848 31.767 41.559 0.730 18.893 . 285 DO3 AbA HC81 c 1 HETATM 2189 H HC82 . DO3 AbA 2 . HC82 . DO3 285 -0.558 32.095 40.711 0.730 18.885 . 285 DO3 AbA HC82 c 1 HETATM 2190 H H101 . DO3 AbA 2 . H101 . DO3 285 0.548 30.063 39.849 0.730 17.241 . 285 DO3 AbA H101 c 1 HETATM 2191 H H102 . DO3 AbA 2 . H102 . DO3 285 -0.204 30.899 38.767 0.730 17.240 . 285 DO3 AbA H102 c 1 HETATM 2192 H H121 . DO3 AbA 2 . H121 . DO3 285 -3.519 28.153 38.618 0.730 19.379 . 285 DO3 AbA H121 c 1 HETATM 2193 H H122 . DO3 AbA 2 . H122 . DO3 285 -4.981 28.008 39.173 0.730 19.372 . 285 DO3 AbA H122 c 1 HETATM 2194 H H141 . DO3 AbA 2 . H141 . DO3 285 -3.954 26.507 43.018 0.730 20.445 . 285 DO3 AbA H141 c 1 HETATM 2195 H H142 . DO3 AbA 2 . H142 . DO3 285 -3.707 26.853 44.521 0.730 20.452 . 285 DO3 AbA H142 c 1 HETATM 2196 H HA . DO3 AbA 2 . HA . DO3 285 2.229 29.270 42.267 0.730 18.313 . 285 DO3 AbA HA c 1 HETATM 2197 H H161 . DO3 AbA 2 . H161 . DO3 285 0.383 28.344 44.179 0.730 18.867 . 285 DO3 AbA H161 c 1 HETATM 2198 H H162 . DO3 AbA 2 . H162 . DO3 285 1.129 29.747 44.138 0.730 18.869 . 285 DO3 AbA H162 c 1 HETATM 2199 H H171 . DO3 AbA 2 . H171 . DO3 285 2.421 27.523 44.248 0.730 18.480 . 285 DO3 AbA H171 c 1 HETATM 2200 H H172 . DO3 AbA 2 . H172 . DO3 285 3.522 27.792 43.132 0.730 18.478 . 285 DO3 AbA H172 c 1 HETATM 2201 H H173 . DO3 AbA 2 . H173 . DO3 285 2.445 26.641 42.925 0.730 18.475 . 285 DO3 AbA H173 c 1 HETATM 2202 CL CL . CL AcA 3 . CL . CL 286 -8.326 31.171 26.959 1.000 14.450 . 286 CL AcA CL . 1 HETATM 2203 CL CL . CL AdA 3 . CL . CL 287 -11.701 28.727 12.533 1.000 15.100 . 287 CL AdA CL . 1 HETATM 2204 CL CL . CL AeA 3 . CL . CL 288 10.969 10.620 33.261 1.000 23.551 . 288 CL AeA CL . 1 HETATM 2205 CL CL . CL AfA 3 . CL . CL 289 -7.526 9.897 14.314 1.000 29.870 . 289 CL AfA CL . 1 HETATM 2206 GD GD . GD AgA 4 . GD . GD 290 0.951 24.564 36.806 0.810 15.871 . 290 GD AgA GD . 1 HETATM 2207 GD GD . GD AhA 4 . GD . GD 291 -1.378 27.838 41.359 0.730 16.251 . 291 GD AhA GD . 1 HETATM 2208 O O . HOH ZZZ 5 . O . HOH 1 1.591 9.574 6.211 1.000 18.166 . 1 HOH ZZZ O . 1 HETATM 2209 O O . HOH ZZZ 5 . O . HOH 2 -8.466 19.067 0.933 1.000 29.659 . 2 HOH ZZZ O . 1 HETATM 2210 O O . HOH ZZZ 5 . O . HOH 3 0.158 17.485 4.951 1.000 20.611 . 3 HOH ZZZ O . 1 HETATM 2211 O O . HOH ZZZ 5 . O . HOH 4 -2.124 19.873 3.792 1.000 34.897 . 4 HOH ZZZ O . 1 HETATM 2212 O O . HOH ZZZ 5 . O . HOH 5 -6.422 19.324 2.638 1.000 15.869 . 5 HOH ZZZ O . 1 HETATM 2213 O O . HOH ZZZ 5 . O . HOH 6 -6.652 16.491 3.696 1.000 13.486 . 6 HOH ZZZ O . 1 HETATM 2214 O O . HOH ZZZ 5 . O . HOH 7 -9.526 12.179 9.631 1.000 19.631 . 7 HOH ZZZ O . 1 HETATM 2215 O O . HOH ZZZ 5 . O . HOH 8 -7.960 9.902 8.627 1.000 28.874 . 8 HOH ZZZ O . 1 HETATM 2216 O O . HOH ZZZ 5 . O . HOH 9 -2.724 11.312 5.351 1.000 25.082 . 9 HOH ZZZ O . 1 HETATM 2217 O O . HOH ZZZ 5 . O . HOH 10 -14.516 22.291 28.781 1.000 25.464 . 10 HOH ZZZ O . 1 HETATM 2218 O O . HOH ZZZ 5 . O . HOH 11 -14.895 27.740 12.861 1.000 23.181 . 11 HOH ZZZ O . 1 HETATM 2219 O O . HOH ZZZ 5 . O . HOH 12 -16.022 22.774 11.480 1.000 27.627 . 12 HOH ZZZ O . 1 HETATM 2220 O O . HOH ZZZ 5 . O . HOH 13 7.781 26.043 18.696 1.000 21.890 . 13 HOH ZZZ O . 1 HETATM 2221 O O . HOH ZZZ 5 . O . HOH 14 -14.985 8.900 16.998 1.000 24.708 . 14 HOH ZZZ O . 1 HETATM 2222 O O . HOH ZZZ 5 . O . HOH 15 -17.786 12.668 16.860 1.000 27.898 . 15 HOH ZZZ O . 1 HETATM 2223 O O . HOH ZZZ 5 . O . HOH 16 -11.972 11.858 11.218 1.000 20.361 . 16 HOH ZZZ O . 1 HETATM 2224 O O . HOH ZZZ 5 . O . HOH 17 -16.344 14.339 20.697 1.000 25.692 . 17 HOH ZZZ O . 1 HETATM 2225 O O . HOH ZZZ 5 . O . HOH 18 -9.935 8.036 16.073 1.000 32.270 . 18 HOH ZZZ O . 1 HETATM 2226 O O . HOH ZZZ 5 . O . HOH 19 -15.934 19.479 22.571 1.000 25.282 . 19 HOH ZZZ O . 1 HETATM 2227 O O . HOH ZZZ 5 . O . HOH 20 -16.288 23.650 14.307 1.000 22.302 . 20 HOH ZZZ O . 1 HETATM 2228 O O . HOH ZZZ 5 . O . HOH 21 -19.039 21.121 16.495 1.000 31.783 . 21 HOH ZZZ O . 1 HETATM 2229 O O . HOH ZZZ 5 . O . HOH 22 -14.605 25.726 15.226 1.000 14.478 . 22 HOH ZZZ O . 1 HETATM 2230 O O . HOH ZZZ 5 . O . HOH 23 -13.167 18.129 28.595 1.000 31.916 . 23 HOH ZZZ O . 1 HETATM 2231 O O . HOH ZZZ 5 . O . HOH 24 -9.563 19.188 30.328 1.000 29.117 . 24 HOH ZZZ O . 1 HETATM 2232 O O . HOH ZZZ 5 . O . HOH 25 -14.654 23.489 26.210 1.000 20.894 . 25 HOH ZZZ O . 1 HETATM 2233 O O . HOH ZZZ 5 . O . HOH 26 -10.643 29.219 28.253 1.000 30.923 . 26 HOH ZZZ O . 1 HETATM 2234 O O . HOH ZZZ 5 . O . HOH 27 -10.725 31.037 24.662 1.000 12.643 . 27 HOH ZZZ O . 1 HETATM 2235 O O . HOH ZZZ 5 . O . HOH 28 -13.609 27.946 28.845 1.000 32.686 . 28 HOH ZZZ O . 1 HETATM 2236 O O . HOH ZZZ 5 . O . HOH 29 -15.581 26.647 26.097 1.000 30.715 . 29 HOH ZZZ O . 1 HETATM 2237 O O . HOH ZZZ 5 . O . HOH 30 -14.551 31.724 21.384 1.000 19.426 . 30 HOH ZZZ O . 1 HETATM 2238 O O . HOH ZZZ 5 . O . HOH 31 -14.877 28.426 20.168 1.000 30.538 . 31 HOH ZZZ O . 1 HETATM 2239 O O . HOH ZZZ 5 . O . HOH 32 -14.408 30.948 18.564 1.000 22.289 . 32 HOH ZZZ O . 1 HETATM 2240 O O . HOH ZZZ 5 . O . HOH 33 11.018 5.253 33.928 1.000 32.643 . 33 HOH ZZZ O . 1 HETATM 2241 O O . HOH ZZZ 5 . O . HOH 34 -11.735 30.906 18.454 1.000 11.909 . 34 HOH ZZZ O . 1 HETATM 2242 O O . HOH ZZZ 5 . O . HOH 35 -11.849 32.483 15.819 1.000 25.341 . 35 HOH ZZZ O . 1 HETATM 2243 O O . HOH ZZZ 5 . O . HOH 36 7.329 22.952 39.782 1.000 28.412 . 36 HOH ZZZ O . 1 HETATM 2244 O O . HOH ZZZ 5 . O . HOH 37 -6.230 33.163 17.304 1.000 13.736 . 37 HOH ZZZ O . 1 HETATM 2245 O O . HOH ZZZ 5 . O . HOH 38 -9.519 32.880 16.673 1.000 14.045 . 38 HOH ZZZ O . 1 HETATM 2246 O O . HOH ZZZ 5 . O . HOH 39 -6.603 8.673 32.876 1.000 32.738 . 39 HOH ZZZ O . 1 HETATM 2247 O O . HOH ZZZ 5 . O . HOH 40 1.728 3.859 17.398 1.000 26.340 . 40 HOH ZZZ O . 1 HETATM 2248 O O . HOH ZZZ 5 . O . HOH 41 -3.001 5.785 23.665 1.000 28.173 . 41 HOH ZZZ O . 1 HETATM 2249 O O . HOH ZZZ 5 . O . HOH 42 0.785 2.953 24.686 1.000 31.236 . 42 HOH ZZZ O . 1 HETATM 2250 O O . HOH ZZZ 5 . O . HOH 43 -5.142 8.956 26.228 1.000 29.686 . 43 HOH ZZZ O . 1 HETATM 2251 O O . HOH ZZZ 5 . O . HOH 44 5.217 23.633 9.440 1.000 21.623 . 44 HOH ZZZ O . 1 HETATM 2252 O O . HOH ZZZ 5 . O . HOH 45 3.554 24.486 3.461 1.000 34.710 . 45 HOH ZZZ O . 1 HETATM 2253 O O . HOH ZZZ 5 . O . HOH 46 5.649 24.144 6.745 1.000 31.868 . 46 HOH ZZZ O . 1 HETATM 2254 O O . HOH ZZZ 5 . O . HOH 47 7.369 25.185 16.032 1.000 15.132 . 47 HOH ZZZ O . 1 HETATM 2255 O O . HOH ZZZ 5 . O . HOH 48 5.567 25.942 20.271 1.000 22.107 . 48 HOH ZZZ O . 1 HETATM 2256 O O . HOH ZZZ 5 . O . HOH 49 8.151 19.781 14.374 1.000 28.249 . 49 HOH ZZZ O . 1 HETATM 2257 O O . HOH ZZZ 5 . O . HOH 50 7.057 23.627 20.313 1.000 21.145 . 50 HOH ZZZ O . 1 HETATM 2258 O O . HOH ZZZ 5 . O . HOH 51 -8.308 19.713 32.991 1.000 35.029 . 51 HOH ZZZ O . 1 HETATM 2259 O O . HOH ZZZ 5 . O . HOH 52 -3.607 20.044 34.248 1.000 26.151 . 52 HOH ZZZ O . 1 HETATM 2260 O O . HOH ZZZ 5 . O . HOH 53 7.404 17.006 11.262 1.000 16.946 . 53 HOH ZZZ O . 1 HETATM 2261 O O . HOH ZZZ 5 . O . HOH 54 2.366 18.733 5.861 1.000 17.061 . 54 HOH ZZZ O . 1 HETATM 2262 O O . HOH ZZZ 5 . O . HOH 55 4.780 10.171 9.986 1.000 12.359 . 55 HOH ZZZ O . 1 HETATM 2263 O O . HOH ZZZ 5 . O . HOH 56 -2.826 35.444 7.766 1.000 33.826 . 56 HOH ZZZ O . 1 HETATM 2264 O O . HOH ZZZ 5 . O . HOH 57 -0.507 38.549 19.885 1.000 20.747 . 57 HOH ZZZ O . 1 HETATM 2265 O O . HOH ZZZ 5 . O . HOH 58 13.690 13.690 19.328 0.500 4.009 . 58 HOH ZZZ O . 1 HETATM 2266 O O . HOH ZZZ 5 . O . HOH 59 10.603 12.435 15.335 1.000 11.826 . 59 HOH ZZZ O . 1 HETATM 2267 O O . HOH ZZZ 5 . O . HOH 60 14.454 17.707 16.492 1.000 28.057 . 60 HOH ZZZ O . 1 HETATM 2268 O O . HOH ZZZ 5 . O . HOH 61 15.544 15.544 19.328 0.500 20.308 . 61 HOH ZZZ O . 1 HETATM 2269 O O . HOH ZZZ 5 . O . HOH 62 15.800 17.918 18.752 1.000 20.494 . 62 HOH ZZZ O . 1 HETATM 2270 O O . HOH ZZZ 5 . O . HOH 63 10.978 22.008 20.780 1.000 32.652 . 63 HOH ZZZ O . 1 HETATM 2271 O O . HOH ZZZ 5 . O . HOH 64 18.732 19.278 25.205 1.000 25.527 . 64 HOH ZZZ O . 1 HETATM 2272 O O . HOH ZZZ 5 . O . HOH 65 13.561 24.093 27.797 1.000 18.241 . 65 HOH ZZZ O . 1 HETATM 2273 O O . HOH ZZZ 5 . O . HOH 66 20.976 21.455 26.449 1.000 30.736 . 66 HOH ZZZ O . 1 HETATM 2274 O O . HOH ZZZ 5 . O . HOH 67 14.306 24.435 23.977 1.000 28.593 . 67 HOH ZZZ O . 1 HETATM 2275 O O . HOH ZZZ 5 . O . HOH 68 12.341 23.674 32.721 1.000 25.218 . 68 HOH ZZZ O . 1 HETATM 2276 O O . HOH ZZZ 5 . O . HOH 69 18.096 19.185 32.933 1.000 23.123 . 69 HOH ZZZ O . 1 HETATM 2277 O O . HOH ZZZ 5 . O . HOH 70 15.267 16.638 31.778 1.000 26.250 . 70 HOH ZZZ O . 1 HETATM 2278 O O . HOH ZZZ 5 . O . HOH 71 10.249 22.150 29.554 1.000 25.019 . 71 HOH ZZZ O . 1 HETATM 2279 O O . HOH ZZZ 5 . O . HOH 72 8.616 23.050 24.095 1.000 26.384 . 72 HOH ZZZ O . 1 HETATM 2280 O O . HOH ZZZ 5 . O . HOH 73 0.807 15.966 20.258 1.000 11.218 . 73 HOH ZZZ O . 1 HETATM 2281 O O . HOH ZZZ 5 . O . HOH 74 8.746 21.612 19.266 1.000 14.095 . 74 HOH ZZZ O . 1 HETATM 2282 O O . HOH ZZZ 5 . O . HOH 75 5.066 22.514 22.259 1.000 20.839 . 75 HOH ZZZ O . 1 HETATM 2283 O O . HOH ZZZ 5 . O . HOH 76 3.091 20.866 26.020 1.000 15.842 . 76 HOH ZZZ O . 1 HETATM 2284 O O . HOH ZZZ 5 . O . HOH 77 7.212 13.275 32.129 1.000 10.115 . 77 HOH ZZZ O . 1 HETATM 2285 O O . HOH ZZZ 5 . O . HOH 78 2.984 23.160 29.099 1.000 20.593 . 78 HOH ZZZ O . 1 HETATM 2286 O O . HOH ZZZ 5 . O . HOH 79 9.467 7.656 34.597 1.000 36.836 . 79 HOH ZZZ O . 1 HETATM 2287 O O . HOH ZZZ 5 . O . HOH 80 6.868 11.343 33.583 1.000 18.003 . 80 HOH ZZZ O . 1 HETATM 2288 O O . HOH ZZZ 5 . O . HOH 81 4.703 5.197 30.396 1.000 15.868 . 81 HOH ZZZ O . 1 HETATM 2289 O O . HOH ZZZ 5 . O . HOH 82 9.644 4.849 31.450 1.000 11.670 . 82 HOH ZZZ O . 1 HETATM 2290 O O . HOH ZZZ 5 . O . HOH 83 8.945 11.953 31.073 1.000 15.079 . 83 HOH ZZZ O . 1 HETATM 2291 O O . HOH ZZZ 5 . O . HOH 84 12.983 13.914 27.048 1.000 14.636 . 84 HOH ZZZ O . 1 HETATM 2292 O O . HOH ZZZ 5 . O . HOH 85 13.716 6.426 33.862 1.000 28.236 . 85 HOH ZZZ O . 1 HETATM 2293 O O . HOH ZZZ 5 . O . HOH 86 16.467 7.295 29.857 1.000 25.722 . 86 HOH ZZZ O . 1 HETATM 2294 O O . HOH ZZZ 5 . O . HOH 87 17.954 9.410 25.344 1.000 18.619 . 87 HOH ZZZ O . 1 HETATM 2295 O O . HOH ZZZ 5 . O . HOH 88 6.324 11.387 36.109 1.000 27.943 . 88 HOH ZZZ O . 1 HETATM 2296 O O . HOH ZZZ 5 . O . HOH 89 4.797 17.036 43.451 1.000 34.638 . 89 HOH ZZZ O . 1 HETATM 2297 O O . HOH ZZZ 5 . O . HOH 90 5.813 20.108 40.071 1.000 37.587 . 90 HOH ZZZ O . 1 HETATM 2298 O O . HOH ZZZ 5 . O . HOH 91 4.891 21.662 42.432 1.000 33.692 . 91 HOH ZZZ O . 1 HETATM 2299 O O . HOH ZZZ 5 . O . HOH 92 2.278 20.802 42.679 1.000 35.138 . 92 HOH ZZZ O . 1 HETATM 2300 O O . HOH ZZZ 5 . O . HOH 93 4.581 7.949 35.004 1.000 29.320 . 93 HOH ZZZ O . 1 HETATM 2301 O O . HOH ZZZ 5 . O . HOH 94 2.386 13.245 37.378 1.000 28.962 . 94 HOH ZZZ O . 1 HETATM 2302 O O . HOH ZZZ 5 . O . HOH 95 1.868 6.408 31.488 1.000 18.022 . 95 HOH ZZZ O . 1 HETATM 2303 O O . HOH ZZZ 5 . O . HOH 96 -5.795 10.594 31.301 1.000 37.489 . 96 HOH ZZZ O . 1 HETATM 2304 O O . HOH ZZZ 5 . O . HOH 97 -4.692 12.221 32.862 1.000 34.594 . 97 HOH ZZZ O . 1 HETATM 2305 O O . HOH ZZZ 5 . O . HOH 98 3.595 5.358 18.680 1.000 20.362 . 98 HOH ZZZ O . 1 HETATM 2306 O O . HOH ZZZ 5 . O . HOH 99 2.485 4.040 22.538 1.000 21.907 . 99 HOH ZZZ O . 1 HETATM 2307 O O . HOH ZZZ 5 . O . HOH 100 6.512 3.171 24.336 1.000 20.480 . 100 HOH ZZZ O . 1 HETATM 2308 O O . HOH ZZZ 5 . O . HOH 101 -2.085 6.607 21.197 1.000 21.117 . 101 HOH ZZZ O . 1 HETATM 2309 O O . HOH ZZZ 5 . O . HOH 102 0.132 13.298 17.532 1.000 22.864 . 102 HOH ZZZ O . 1 HETATM 2310 O O . HOH ZZZ 5 . O . HOH 103 -1.289 11.264 17.229 1.000 11.568 . 103 HOH ZZZ O . 1 HETATM 2311 O O . HOH ZZZ 5 . O . HOH 104 -2.362 4.385 19.626 1.000 34.891 . 104 HOH ZZZ O . 1 HETATM 2312 O O . HOH ZZZ 5 . O . HOH 105 -2.898 4.562 15.534 1.000 36.918 . 105 HOH ZZZ O . 1 HETATM 2313 O O . HOH ZZZ 5 . O . HOH 106 1.119 3.020 12.559 1.000 34.247 . 106 HOH ZZZ O . 1 HETATM 2314 O O . HOH ZZZ 5 . O . HOH 107 2.177 4.403 10.397 1.000 32.539 . 107 HOH ZZZ O . 1 HETATM 2315 O O . HOH ZZZ 5 . O . HOH 108 -1.670 5.411 9.539 1.000 27.353 . 108 HOH ZZZ O . 1 HETATM 2316 O O . HOH ZZZ 5 . O . HOH 109 -5.241 5.400 12.803 0.500 15.837 . 109 HOH ZZZ O . 1 HETATM 2317 O O . HOH ZZZ 5 . O . HOH 110 -4.857 3.745 14.243 0.500 29.521 . 110 HOH ZZZ O . 1 HETATM 2318 O O . HOH ZZZ 5 . O . HOH 111 -5.364 8.503 11.715 1.000 25.374 . 111 HOH ZZZ O . 1 HETATM 2319 O O . HOH ZZZ 5 . O . HOH 112 0.220 4.391 14.759 1.000 19.498 . 112 HOH ZZZ O . 1 HETATM 2320 O O . HOH ZZZ 5 . O . HOH 113 2.038 6.507 11.816 1.000 19.489 . 113 HOH ZZZ O . 1 HETATM 2321 O O . HOH ZZZ 5 . O . HOH 114 -2.157 10.337 19.748 1.000 12.766 . 114 HOH ZZZ O . 1 HETATM 2322 O O . HOH ZZZ 5 . O . HOH 115 -4.264 7.819 20.287 1.000 13.918 . 115 HOH ZZZ O . 1 HETATM 2323 O O . HOH ZZZ 5 . O . HOH 116 -11.004 7.692 19.903 1.000 26.205 . 116 HOH ZZZ O . 1 HETATM 2324 O O . HOH ZZZ 5 . O . HOH 117 -3.989 11.454 26.367 1.000 14.945 . 117 HOH ZZZ O . 1 HETATM 2325 O O . HOH ZZZ 5 . O . HOH 118 -8.612 15.455 28.513 1.000 28.701 . 118 HOH ZZZ O . 1 HETATM 2326 O O . HOH ZZZ 5 . O . HOH 119 -14.740 17.434 25.020 1.000 44.001 . 119 HOH ZZZ O . 1 HETATM 2327 O O . HOH ZZZ 5 . O . HOH 120 -15.268 14.967 22.847 1.000 31.944 . 120 HOH ZZZ O . 1 HETATM 2328 O O . HOH ZZZ 5 . O . HOH 121 -4.952 12.109 28.891 1.000 22.362 . 121 HOH ZZZ O . 1 HETATM 2329 O O . HOH ZZZ 5 . O . HOH 122 -5.978 21.142 33.007 1.000 22.366 . 122 HOH ZZZ O . 1 HETATM 2330 O O . HOH ZZZ 5 . O . HOH 123 -6.755 27.699 30.140 1.000 16.822 . 123 HOH ZZZ O . 1 HETATM 2331 O O . HOH ZZZ 5 . O . HOH 124 -12.141 23.046 29.423 1.000 27.086 . 124 HOH ZZZ O . 1 HETATM 2332 O O . HOH ZZZ 5 . O . HOH 125 -7.318 26.286 34.979 1.000 32.955 . 125 HOH ZZZ O . 1 HETATM 2333 O O . HOH ZZZ 5 . O . HOH 126 -2.231 26.629 28.888 1.000 28.172 . 126 HOH ZZZ O . 1 HETATM 2334 O O . HOH ZZZ 5 . O . HOH 127 -3.581 29.066 36.428 1.000 27.472 . 127 HOH ZZZ O . 1 HETATM 2335 O O . HOH ZZZ 5 . O . HOH 128 0.292 25.496 29.893 1.000 30.674 . 128 HOH ZZZ O . 1 HETATM 2336 O O . HOH ZZZ 5 . O . HOH 129 -2.596 30.645 34.876 1.000 39.617 . 129 HOH ZZZ O . 1 HETATM 2337 O O . HOH ZZZ 5 . O . HOH 130 5.496 25.761 23.058 1.000 21.069 . 130 HOH ZZZ O . 1 HETATM 2338 O O . HOH ZZZ 5 . O . HOH 131 1.507 37.035 18.713 1.000 24.763 . 131 HOH ZZZ O . 1 HETATM 2339 O O . HOH ZZZ 5 . O . HOH 132 4.152 31.881 10.058 1.000 11.804 . 132 HOH ZZZ O . 1 HETATM 2340 O O . HOH ZZZ 5 . O . HOH 133 0.681 33.036 10.179 1.000 31.989 . 133 HOH ZZZ O . 1 HETATM 2341 O O . HOH ZZZ 5 . O . HOH 134 0.013 36.266 25.889 1.000 23.782 . 134 HOH ZZZ O . 1 HETATM 2342 O O . HOH ZZZ 5 . O . HOH 135 -0.866 38.457 14.916 1.000 22.095 . 135 HOH ZZZ O . 1 HETATM 2343 O O . HOH ZZZ 5 . O . HOH 136 0.320 37.763 22.466 1.000 23.194 . 136 HOH ZZZ O . 1 HETATM 2344 O O . HOH ZZZ 5 . O . HOH 137 0.705 35.468 15.616 1.000 15.597 . 137 HOH ZZZ O . 1 HETATM 2345 O O . HOH ZZZ 5 . O . HOH 138 -3.844 41.013 13.980 1.000 31.738 . 138 HOH ZZZ O . 1 HETATM 2346 O O . HOH ZZZ 5 . O . HOH 139 -3.353 38.953 18.728 1.000 20.618 . 139 HOH ZZZ O . 1 HETATM 2347 O O . HOH ZZZ 5 . O . HOH 140 -7.011 36.995 17.465 1.000 8.210 . 140 HOH ZZZ O . 1 HETATM 2348 O O . HOH ZZZ 5 . O . HOH 141 -7.334 34.868 15.460 1.000 12.690 . 141 HOH ZZZ O . 1 HETATM 2349 O O . HOH ZZZ 5 . O . HOH 142 -7.971 37.355 5.839 1.000 24.464 . 142 HOH ZZZ O . 1 HETATM 2350 O O . HOH ZZZ 5 . O . HOH 143 -4.272 33.122 7.901 1.000 21.480 . 143 HOH ZZZ O . 1 HETATM 2351 O O . HOH ZZZ 5 . O . HOH 144 -4.327 37.061 8.864 1.000 25.381 . 144 HOH ZZZ O . 1 HETATM 2352 O O . HOH ZZZ 5 . O . HOH 145 -2.866 32.102 10.079 1.000 18.973 . 145 HOH ZZZ O . 1 HETATM 2353 O O . HOH ZZZ 5 . O . HOH 146 -21.956 19.307 -2.331 1.000 25.026 . 146 HOH ZZZ O . 1 HETATM 2354 O O . HOH ZZZ 5 . O . HOH 147 -15.279 15.788 7.329 1.000 22.734 . 147 HOH ZZZ O . 1 HETATM 2355 O O . HOH ZZZ 5 . O . HOH 148 -23.021 19.415 0.520 1.000 30.862 . 148 HOH ZZZ O . 1 HETATM 2356 O O . HOH ZZZ 5 . O . HOH 149 -16.624 16.214 9.191 0.500 14.204 . 149 HOH ZZZ O . 1 HETATM 2357 O O . HOH ZZZ 5 . O . HOH 150 -1.963 24.070 39.552 1.000 27.095 . 150 HOH ZZZ O . 1 HETATM 2358 O O . HOH ZZZ 5 . O . HOH 151 5.034 28.277 40.668 1.000 17.075 . 151 HOH ZZZ O . 1 HETATM 2359 O O . HOH ZZZ 5 . O . HOH 152 -0.957 25.501 37.774 1.000 20.345 . 152 HOH ZZZ O . 1 HETATM 2360 O O . HOH ZZZ 5 . O . HOH 153 -0.102 23.268 43.233 1.000 29.200 . 153 HOH ZZZ O . 1 HETATM 2361 O O . HOH ZZZ 5 . O . HOH 154 -0.232 25.608 40.772 1.000 24.981 . 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