data_3fm7
_entry.id                         3fm7

_cell.entry_id                    3fm7
_cell.length_a                    115.79
_cell.length_b                    115.79
_cell.length_c                    90.5
_cell.angle_alpha                 90
_cell.angle_beta                  90
_cell.angle_gamma                 120

_symmetry.entry_id                3fm7
_symmetry.space_group_name_H-M    "P 62"
_symmetry.Int_Tables_number       171

loop_
_entity.id
_entity.type
A polymer
B polymer
C polymer
D polymer
E polymer
F polymer

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
A 1   GLN ?
A 2   PHE ?
A 3   ILE ?
A 4   VAL ?
A 5   ASP ?
A 6   ASP ?
A 7   VAL ?
A 8   SER ?
A 9   LYS ?
A 10  THR ?
A 11  ILE ?
A 12  LYS ?
A 13  GLU ?
A 14  ALA ?
A 15  ILE ?
A 16  GLU ?
A 17  THR ?
A 18  THR ?
A 19  ILE ?
A 20  GLY ?
A 21  GLY ?
A 22  ASN ?
A 23  ALA ?
A 24  TYR ?
A 25  GLN ?
A 26  HIS ?
A 27  ASP ?
A 28  LYS ?
A 29  VAL ?
A 30  ASN ?
A 31  ASN ?
A 32  TRP ?
A 33  THR ?
A 34  GLY ?
A 35  GLN ?
A 36  VAL ?
A 37  VAL ?
A 38  GLU ?
A 39  ASN ?
A 40  CYS ?
A 41  LEU ?
A 42  THR ?
A 43  VAL ?
A 44  LEU ?
A 45  THR ?
A 46  LYS ?
A 47  GLU ?
A 48  GLN ?
A 49  LYS ?
A 50  PRO ?
A 51  TYR ?
A 52  LYS ?
A 53  TYR ?
A 54  ILE ?
A 55  VAL ?
A 56  THR ?
A 57  ALA ?
A 58  MET ?
A 59  ILE ?
A 60  MET ?
A 61  GLN ?
A 62  LYS ?
A 63  ASN ?
A 64  GLY ?
A 65  ALA ?
A 66  GLY ?
A 67  LEU ?
A 68  HIS ?
A 69  THR ?
A 70  ALA ?
A 71  SER ?
A 72  SER ?
A 73  CYS ?
A 74  TYR ?
A 75  TRP ?
A 76  ASN ?
A 77  ASN ?
A 78  ASP ?
A 79  THR ?
A 80  ASP ?
A 81  GLY ?
A 82  SER ?
A 83  CYS ?
A 84  THR ?
A 85  VAL ?
A 86  ARG ?
A 87  TRP ?
A 88  GLU ?
A 89  ASN ?
A 90  LYS ?
A 91  THR ?
A 92  MET ?
A 93  TYR ?
A 94  CYS ?
A 95  ILE ?
A 96  VAL ?
A 97  SER ?
A 98  VAL ?
A 99  PHE ?
A 100 GLY ?
A 101 LEU ?
A 102 ALA ?
A 103 VAL ?
B 1   SER ?
B 2   GLN ?
B 3   PHE ?
B 4   ILE ?
B 5   VAL ?
B 6   ASP ?
B 7   ASP ?
B 8   VAL ?
B 9   SER ?
B 10  LYS ?
B 11  THR ?
B 12  ILE ?
B 13  LYS ?
B 14  GLU ?
B 15  ALA ?
B 16  ILE ?
B 17  GLU ?
B 18  THR ?
B 19  THR ?
B 20  ILE ?
B 21  GLY ?
B 22  GLY ?
B 23  ASN ?
B 24  ALA ?
B 25  TYR ?
B 26  GLN ?
B 27  HIS ?
B 28  ASP ?
B 29  LYS ?
B 30  VAL ?
B 31  ASN ?
B 32  ASN ?
B 33  TRP ?
B 34  THR ?
B 35  GLY ?
B 36  GLN ?
B 37  VAL ?
B 38  VAL ?
B 39  GLU ?
B 40  ASN ?
B 41  CYS ?
B 42  LEU ?
B 43  THR ?
B 44  VAL ?
B 45  LEU ?
B 46  THR ?
B 47  LYS ?
B 48  GLU ?
B 49  GLN ?
B 50  LYS ?
B 51  PRO ?
B 52  TYR ?
B 53  LYS ?
B 54  TYR ?
B 55  ILE ?
B 56  VAL ?
B 57  THR ?
B 58  ALA ?
B 59  MET ?
B 60  ILE ?
B 61  MET ?
B 62  GLN ?
B 63  LYS ?
B 64  ASN ?
B 65  GLY ?
B 66  ALA ?
B 67  GLY ?
B 68  LEU ?
B 69  HIS ?
B 70  THR ?
B 71  ALA ?
B 72  SER ?
B 73  SER ?
B 74  CYS ?
B 75  TYR ?
B 76  TRP ?
B 77  ASN ?
B 78  ASN ?
B 79  ASP ?
B 80  THR ?
B 81  ASP ?
B 82  GLY ?
B 83  SER ?
B 84  CYS ?
B 85  THR ?
B 86  VAL ?
B 87  ARG ?
B 88  TRP ?
B 89  GLU ?
B 90  ASN ?
B 91  LYS ?
B 92  THR ?
B 93  MET ?
B 94  TYR ?
B 95  CYS ?
B 96  ILE ?
B 97  VAL ?
B 98  SER ?
B 99  VAL ?
B 100 PHE ?
B 101 GLY ?
B 102 LEU ?
B 103 ALA ?
B 104 VAL ?
C 1   ASN ?
C 2   LEU ?
C 3   SER ?
C 4   VAL ?
C 5   TYR ?
C 6   ASN ?
C 7   VAL ?
C 8   GLN ?
C 9   ALA ?
C 10  THR ?
C 11  ASN ?
C 12  ILE ?
C 13  PRO ?
C 14  PRO ?
C 15  LYS ?
C 16  GLU ?
C 17  THR ?
C 18  LEU ?
C 19  VAL ?
C 20  TYR ?
C 21  THR ?
C 22  LYS ?
C 23  GLN ?
C 24  THR ?
C 25  GLN ?
C 26  THR ?
C 27  THR ?
D 1   ASN ?
D 2   LEU ?
D 3   SER ?
D 4   VAL ?
D 5   TYR ?
D 6   ASN ?
D 7   VAL ?
D 8   GLN ?
D 9   ALA ?
D 10  THR ?
D 11  ASN ?
D 12  ILE ?
D 13  PRO ?
D 14  PRO ?
D 15  LYS ?
D 16  GLU ?
D 17  THR ?
D 18  LEU ?
D 19  VAL ?
D 20  TYR ?
D 21  THR ?
D 22  LYS ?
D 23  GLN ?
D 24  THR ?
D 25  GLN ?
D 26  THR ?
D 27  THR ?
E 1   LYS ?
E 2   ALA ?
E 3   VAL ?
E 4   ILE ?
E 5   LYS ?
E 6   ASN ?
E 7   ALA ?
E 8   ASP ?
E 9   MET ?
E 10  SER ?
E 11  GLU ?
E 12  GLU ?
E 13  MET ?
E 14  GLN ?
E 15  GLN ?
E 16  ASP ?
E 17  ALA ?
E 18  VAL ?
E 19  ASP ?
E 20  CYS ?
E 21  ALA ?
E 22  THR ?
E 23  GLN ?
E 24  ALA ?
E 25  LEU ?
E 26  GLU ?
E 27  LYS ?
E 28  TYR ?
E 29  ASN ?
E 30  ILE ?
E 31  GLU ?
E 32  LYS ?
E 33  ASP ?
E 34  ILE ?
E 35  ALA ?
E 36  ALA ?
E 37  TYR ?
E 38  ILE ?
E 39  LYS ?
E 40  LYS ?
E 41  GLU ?
E 42  PHE ?
E 43  ASP ?
E 44  LYS ?
E 45  LYS ?
E 46  TYR ?
E 47  ASN ?
E 48  PRO ?
E 49  THR ?
E 50  TRP ?
E 51  HIS ?
E 52  CYS ?
E 53  ILE ?
E 54  VAL ?
E 55  GLY ?
E 56  ARG ?
E 57  ASN ?
E 58  PHE ?
E 59  GLY ?
E 60  SER ?
E 61  TYR ?
E 62  VAL ?
E 63  THR ?
E 64  HIS ?
E 65  GLU ?
E 66  THR ?
E 67  ARG ?
E 68  HIS ?
E 69  PHE ?
E 70  ILE ?
E 71  TYR ?
E 72  PHE ?
E 73  TYR ?
E 74  LEU ?
E 75  GLY ?
E 76  GLN ?
E 77  VAL ?
E 78  ALA ?
E 79  ILE ?
E 80  LEU ?
E 81  LEU ?
E 82  PHE ?
E 83  LYS ?
E 84  SER ?
E 85  GLY ?
F 1   LYS ?
F 2   ALA ?
F 3   VAL ?
F 4   ILE ?
F 5   LYS ?
F 6   ASN ?
F 7   ALA ?
F 8   ASP ?
F 9   MET ?
F 10  SER ?
F 11  GLU ?
F 12  GLU ?
F 13  MET ?
F 14  GLN ?
F 15  GLN ?
F 16  ASP ?
F 17  ALA ?
F 18  VAL ?
F 19  ASP ?
F 20  CYS ?
F 21  ALA ?
F 22  THR ?
F 23  GLN ?
F 24  ALA ?
F 25  LEU ?
F 26  GLU ?
F 27  LYS ?
F 28  TYR ?
F 29  ASN ?
F 30  ILE ?
F 31  GLU ?
F 32  LYS ?
F 33  ASP ?
F 34  ILE ?
F 35  ALA ?
F 36  ALA ?
F 37  TYR ?
F 38  ILE ?
F 39  LYS ?
F 40  LYS ?
F 41  GLU ?
F 42  PHE ?
F 43  ASP ?
F 44  LYS ?
F 45  LYS ?
F 46  TYR ?
F 47  ASN ?
F 48  PRO ?
F 49  THR ?
F 50  TRP ?
F 51  HIS ?
F 52  CYS ?
F 53  ILE ?
F 54  VAL ?
F 55  GLY ?
F 56  ARG ?
F 57  ASN ?
F 58  PHE ?
F 59  GLY ?
F 60  SER ?
F 61  TYR ?
F 62  VAL ?
F 63  THR ?
F 64  HIS ?
F 65  GLU ?
F 66  THR ?
F 67  ARG ?
F 68  HIS ?
F 69  PHE ?
F 70  ILE ?
F 71  TYR ?
F 72  PHE ?
F 73  TYR ?
F 74  LEU ?
F 75  GLY ?
F 76  GLN ?
F 77  VAL ?
F 78  ALA ?
F 79  ILE ?
F 80  LEU ?
F 81  LEU ?
F 82  PHE ?
F 83  LYS ?
F 84  SER ?
F 85  GLY ?

loop_
_software.pdbx_ordinal
_software.classification
_software.name
_software.version
_software.date
_software.description
1 refinement refmac '5.8.0430 (refmacat 0.4.77)' 2024-05-20 '(un)restrained refinement or idealisation of macromolecular structures'

_refine.details                   "Hydrogens have been added in their riding positions"
_refine.B_iso_mean                101.405
_refine.aniso_B[1][1]             -0.083
_refine.aniso_B[2][2]             -0.083
_refine.aniso_B[3][3]             0.269
_refine.aniso_B[1][2]             -0.042
_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             3.501
_refine.ls_d_res_low              35.652
_refine.ls_number_reflns_R_work   7875
_refine.ls_number_reflns_R_free   870
_refine.ls_number_reflns_obs      8745
_refine.ls_R_factor_R_work        0.1882
_refine.ls_R_factor_R_free        0.2782
_refine.ls_R_factor_all           0.197
_refine.ls_wR_factor_R_work       0.183
_refine.ls_wR_factor_R_free       0.272
_refine.ls_percent_reflns_obs     99.386
_refine.ls_percent_reflns_R_free  9.949
_refine.correlation_coeff_Fo_to_Fc 0.931
_refine.correlation_coeff_Fo_to_Fc_free 0.877
_refine.pdbx_overall_ESU_R        ?
_refine.pdbx_overall_ESU_R_Free   0.668
_refine.overall_SU_ML             0.454
_refine.overall_SU_B              29.269
_refine.pdbx_average_fsc_overall  ?
_refine.pdbx_average_fsc_work     0.9765
_refine.pdbx_average_fsc_free     0.9474
_refine.entry_id                  3fm7
_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
20 35.652 14.393 129 98.4496  113 0.338 0.339 14 0.346 0.375 0.905 0.899 "X-RAY DIFFRACTION"
20 14.393 10.619 195 100.0000 180 0.181 0.186 15 0.255 0.204 0.979 0.981 "X-RAY DIFFRACTION"
20 10.619 8.802  247 100.0000 223 0.164 0.171 24 0.226 0.175 0.985 0.972 "X-RAY DIFFRACTION"
20 8.802  7.681  279 100.0000 255 0.165 0.170 24 0.211 0.171 0.983 0.976 "X-RAY DIFFRACTION"
20 7.681  6.902  315 100.0000 283 0.177 0.195 32 0.363 0.172 0.977 0.904 "X-RAY DIFFRACTION"
20 6.902  6.321  354 100.0000 319 0.190 0.204 35 0.353 0.188 0.976 0.926 "X-RAY DIFFRACTION"
20 6.321  5.865  383 100.0000 356 0.210 0.218 27 0.307 0.204 0.974 0.950 "X-RAY DIFFRACTION"
20 5.865  5.496  397 100.0000 348 0.175 0.186 49 0.263 0.169 0.981 0.960 "X-RAY DIFFRACTION"
20 5.496  5.188  438 100.0000 401 0.179 0.190 37 0.306 0.172 0.981 0.929 "X-RAY DIFFRACTION"
20 5.188  4.927  453 99.7793  410 0.166 0.171 42 0.222 0.164 0.985 0.969 "X-RAY DIFFRACTION"
20 4.927  4.702  472 99.7881  422 0.144 0.155 49 0.261 0.139 0.988 0.959 "X-RAY DIFFRACTION"
20 4.702  4.505  494 99.7976  451 0.137 0.141 42 0.192 0.130 0.989 0.980 "X-RAY DIFFRACTION"
20 4.505  4.331  517 100.0000 462 0.126 0.137 55 0.245 0.119 0.990 0.965 "X-RAY DIFFRACTION"
20 4.331  4.176  539 99.4434  478 0.144 0.153 58 0.220 0.134 0.987 0.967 "X-RAY DIFFRACTION"
20 4.176  4.036  548 99.6350  485 0.187 0.193 61 0.236 0.171 0.979 0.963 "X-RAY DIFFRACTION"
20 4.036  3.909  586 95.7338  504 0.209 0.216 57 0.277 0.191 0.975 0.956 "X-RAY DIFFRACTION"
20 3.909  3.794  577 99.6534  518 0.221 0.231 57 0.324 0.201 0.968 0.942 "X-RAY DIFFRACTION"
20 3.794  3.688  607 100.0000 541 0.247 0.257 66 0.347 0.234 0.967 0.923 "X-RAY DIFFRACTION"
20 3.688  3.591  612 99.8366  561 0.284 0.292 50 0.380 0.275 0.963 0.939 "X-RAY DIFFRACTION"
20 3.591  3.501  648 98.9198  565 0.257 0.274 76 0.403 0.240 0.965 0.907 "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             3512  0.006  0.012   "X-RAY DIFFRACTION"
r_bond_other_d               3284  0.002  0.016   "X-RAY DIFFRACTION"
r_angle_refined_deg          4762  1.546  1.806   "X-RAY DIFFRACTION"
r_angle_other_deg            7562  0.537  1.772   "X-RAY DIFFRACTION"
r_dihedral_angle_1_deg       425   13.545 5.000   "X-RAY DIFFRACTION"
r_dihedral_angle_2_deg       6     7.106  5.000   "X-RAY DIFFRACTION"
r_dihedral_angle_3_deg       615   23.245 10.000  "X-RAY DIFFRACTION"
r_dihedral_angle_6_deg       162   14.072 10.000  "X-RAY DIFFRACTION"
r_chiral_restr               539   0.075  0.200   "X-RAY DIFFRACTION"
r_gen_planes_refined         4067  0.006  0.020   "X-RAY DIFFRACTION"
r_gen_planes_other           797   0.002  0.020   "X-RAY DIFFRACTION"
r_nbd_refined                899   0.254  0.200   "X-RAY DIFFRACTION"
r_symmetry_nbd_other         3712  0.249  0.200   "X-RAY DIFFRACTION"
r_nbtor_refined              1675  0.197  0.200   "X-RAY DIFFRACTION"
r_symmetry_nbtor_other       2205  0.090  0.200   "X-RAY DIFFRACTION"
r_xyhbond_nbd_refined        94    0.217  0.200   "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_other 5     0.044  0.200   "X-RAY DIFFRACTION"
r_symmetry_nbd_refined       15    0.206  0.200   "X-RAY DIFFRACTION"
r_nbd_other                  52    0.221  0.200   "X-RAY DIFFRACTION"
r_mcbond_it                  1718  11.176 9.884   "X-RAY DIFFRACTION"
r_mcbond_other               1717  11.169 9.882   "X-RAY DIFFRACTION"
r_mcangle_it                 2137  17.056 17.736  "X-RAY DIFFRACTION"
r_mcangle_other              2138  17.052 17.735  "X-RAY DIFFRACTION"
r_scbond_it                  1794  11.455 10.499  "X-RAY DIFFRACTION"
r_scbond_other               1794  11.440 10.500  "X-RAY DIFFRACTION"
r_scangle_it                 2625  17.860 19.035  "X-RAY DIFFRACTION"
r_scangle_other              2626  17.857 19.034  "X-RAY DIFFRACTION"
r_lrange_it                  13461 25.389 117.617 "X-RAY DIFFRACTION"
r_lrange_other               13460 25.389 117.614 "X-RAY DIFFRACTION"

_ccp4_form_factor.scat_method     'Sum of Gaussians'
_ccp4_form_factor.scat_data_source X-ray

loop_
_atom_type.symbol
_atom_type.pdbx_scat_Z
_atom_type.pdbx_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  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379
C 6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156
O 8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508
H 1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030
S 16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.0496

_ccp4_reflns_twin.number_of_domains 1

_ccp4_refine_ls.jelly_body        yes
_ccp4_refine_ls.jelly_body_dist   4.200
_ccp4_refine_ls.jelly_body_sigma  0.010

_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_ins_code
_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_asym_id
_atom_site.pdbx_PDB_model_num
_atom_site.calc_flag
ATOM 1    N N    . GLN Axp A 1   ? 30.084 83.249 76.462 1   112.226 ? 9   A 1 .
ATOM 2    C CA   . GLN Axp A 1   ? 30.507 81.856 76.186 1   99.425  ? 9   A 1 .
ATOM 3    C C    . GLN Axp A 1   ? 29.253 81.082 75.788 1   134.827 ? 9   A 1 .
ATOM 4    O O    . GLN Axp A 1   ? 28.298 81.038 76.556 1   165.816 ? 9   A 1 .
ATOM 5    C CB   . GLN Axp A 1   ? 31.204 81.279 77.417 0.1 89.963  ? 9   A 1 .
ATOM 6    C CG   . GLN Axp A 1   ? 31.649 79.833 77.247 0.1 81.484  ? 9   A 1 .
ATOM 7    C CD   . GLN Axp A 1   ? 32.529 79.352 78.378 0.1 74.377  ? 9   A 1 .
ATOM 8    O OE1  . GLN Axp A 1   ? 32.704 80.034 79.392 0.1 70.39   ? 9   A 1 .
ATOM 9    N NE2  . GLN Axp A 1   ? 33.09  78.164 78.212 0.1 71.486  ? 9   A 1 .
ATOM 10   H H    . GLN Axp A 1   ? 30.795 83.74  76.719 1   108.069 ? 9   A 1 c
ATOM 11   H H2   . GLN Axp A 1   ? 29.466 83.261 77.12  1   108.263 ? 9   A 1 c
ATOM 12   H H3   . GLN Axp A 1   ? 29.728 83.617 75.719 1   108.262 ? 9   A 1 c
ATOM 13   H HA   . GLN Axp A 1   ? 31.141 81.865 75.424 1   106.16  ? 9   A 1 c
ATOM 14   H HB3  . GLN Axp A 1   ? 30.591 81.336 78.18  0.1 89.98   ? 9   A 1 c
ATOM 15   H HB2  . GLN Axp A 1   ? 31.987 81.831 77.622 0.1 89.98   ? 9   A 1 c
ATOM 16   H HG3  . GLN Axp A 1   ? 32.141 79.742 76.403 0.1 81.693  ? 9   A 1 c
ATOM 17   H HG2  . GLN Axp A 1   ? 30.859 79.254 77.197 0.1 82.083  ? 9   A 1 c
ATOM 18   H HE21 . GLN Axp A 1   ? 33.437 77.738 78.908 0.1 72.363  ? 9   A 1 c
ATOM 19   H HE22 . GLN Axp A 1   ? 33.117 77.796 77.405 0.1 72.363  ? 9   A 1 c
ATOM 20   N N    . PHE Axp A 2   ? 29.256 80.497 74.578 1   154.698 ? 10  A 1 .
ATOM 21   C CA   . PHE Axp A 2   ? 28.205 79.595 74.112 1   135.805 ? 10  A 1 .
ATOM 22   C C    . PHE Axp A 2   ? 28.464 78.213 74.706 1   132.977 ? 10  A 1 .
ATOM 23   O O    . PHE Axp A 2   ? 29.222 77.418 74.147 1   128.77  ? 10  A 1 .
ATOM 24   C CB   . PHE Axp A 2   ? 28.217 79.56  72.58  1   130.039 ? 10  A 1 .
ATOM 25   C CG   . PHE Axp A 2   ? 27.354 78.498 71.906 1   119.682 ? 10  A 1 .
ATOM 26   C CD1  . PHE Axp A 2   ? 26.057 78.799 71.521 1   119.043 ? 10  A 1 .
ATOM 27   C CD2  . PHE Axp A 2   ? 27.848 77.227 71.596 1   107.427 ? 10  A 1 .
ATOM 28   C CE1  . PHE Axp A 2   ? 25.271 77.846 70.882 1   114.399 ? 10  A 1 .
ATOM 29   C CE2  . PHE Axp A 2   ? 27.065 76.284 70.944 1   87.708  ? 10  A 1 .
ATOM 30   C CZ   . PHE Axp A 2   ? 25.781 76.599 70.578 1   94.363  ? 10  A 1 .
ATOM 31   H H    . PHE Axp A 2   ? 29.954 80.672 74.014 1   144.348 ? 10  A 1 c
ATOM 32   H HA   . PHE Axp A 2   ? 27.324 79.93  74.425 1   137.74  ? 10  A 1 c
ATOM 33   H HB3  . PHE Axp A 2   ? 29.146 79.434 72.285 1   128.955 ? 10  A 1 c
ATOM 34   H HB2  . PHE Axp A 2   ? 27.932 80.443 72.254 1   128.828 ? 10  A 1 c
ATOM 35   H HD1  . PHE Axp A 2   ? 25.7   79.652 71.712 1   117.696 ? 10  A 1 c
ATOM 36   H HD2  . PHE Axp A 2   ? 28.737 77.009 71.827 1   105.291 ? 10  A 1 c
ATOM 37   H HE1  . PHE Axp A 2   ? 24.386 78.062 70.634 1   110.226 ? 10  A 1 c
ATOM 38   H HE2  . PHE Axp A 2   ? 27.416 75.429 70.752 1   93.997  ? 10  A 1 c
ATOM 39   H HZ   . PHE Axp A 2   ? 25.237 75.955 70.153 1   97.374  ? 10  A 1 c
ATOM 40   N N    . ILE Axp A 3   ? 27.862 77.937 75.867 1   131.992 ? 11  A 1 .
ATOM 41   C CA   . ILE Axp A 3   ? 28.246 76.769 76.649 1   136.301 ? 11  A 1 .
ATOM 42   C C    . ILE Axp A 3   ? 27.726 75.523 75.928 1   126.222 ? 11  A 1 .
ATOM 43   O O    . ILE Axp A 3   ? 26.578 75.111 76.112 1   87.712  ? 11  A 1 .
ATOM 44   C CB   . ILE Axp A 3   ? 27.77  76.868 78.113 1   146.942 ? 11  A 1 .
ATOM 45   C CG1  . ILE Axp A 3   ? 28.058 78.234 78.72  1   139.94  ? 11  A 1 .
ATOM 46   C CG2  . ILE Axp A 3   ? 28.386 75.759 78.967 1   163.488 ? 11  A 1 .
ATOM 47   C CD1  . ILE Axp A 3   ? 28.025 78.253 80.24  1   126.87  ? 11  A 1 .
ATOM 48   H H    . ILE Axp A 3   ? 27.188 78.475 76.169 1   133.397 ? 11  A 1 c
ATOM 49   H HA   . ILE Axp A 3   ? 29.222 76.727 76.66  1   135.275 ? 11  A 1 c
ATOM 50   H HB   . ILE Axp A 3   ? 26.801 76.744 78.117 1   146.067 ? 11  A 1 c
ATOM 51   H HG12 . ILE Axp A 3   ? 27.397 78.874 78.385 1   138.201 ? 11  A 1 c
ATOM 52   H HG13 . ILE Axp A 3   ? 28.941 78.532 78.421 1   137.857 ? 11  A 1 c
ATOM 53   H HG21 . ILE Axp A 3   ? 27.864 75.639 79.778 1   157.761 ? 11  A 1 c
ATOM 54   H HG22 . ILE Axp A 3   ? 29.297 76.001 79.206 1   157.824 ? 11  A 1 c
ATOM 55   H HG23 . ILE Axp A 3   ? 28.399 74.927 78.467 1   157.713 ? 11  A 1 c
ATOM 56   H HD11 . ILE Axp A 3   ? 27.262 77.736 80.561 1   130.987 ? 11  A 1 c
ATOM 57   H HD12 . ILE Axp A 3   ? 27.94  79.176 80.547 1   130.75  ? 11  A 1 c
ATOM 58   H HD13 . ILE Axp A 3   ? 28.849 77.87  80.596 1   130.986 ? 11  A 1 c
ATOM 59   N N    . VAL Axp A 4   ? 28.603 74.933 75.1   1   129.624 ? 12  A 1 .
ATOM 60   C CA   . VAL Axp A 4   ? 28.217 73.914 74.136 1   131.019 ? 12  A 1 .
ATOM 61   C C    . VAL Axp A 4   ? 27.825 72.627 74.861 1   140.358 ? 12  A 1 .
ATOM 62   O O    . VAL Axp A 4   ? 26.866 71.962 74.465 1   126.111 ? 12  A 1 .
ATOM 63   C CB   . VAL Axp A 4   ? 29.339 73.652 73.111 1   123.897 ? 12  A 1 .
ATOM 64   C CG1  . VAL Axp A 4   ? 30.549 72.948 73.726 1   125.485 ? 12  A 1 .
ATOM 65   C CG2  . VAL Axp A 4   ? 28.826 72.854 71.923 1   119.2   ? 12  A 1 .
ATOM 66   H H    . VAL Axp A 4   ? 29.482 75.183 75.139 1   129.133 ? 12  A 1 c
ATOM 67   H HA   . VAL Axp A 4   ? 27.436 74.241 73.652 1   130.755 ? 12  A 1 c
ATOM 68   H HB   . VAL Axp A 4   ? 29.638 74.53  72.778 1   124.578 ? 12  A 1 c
ATOM 69   H HG11 . VAL Axp A 4   ? 30.346 72.008 73.864 1   125.268 ? 12  A 1 c
ATOM 70   H HG12 . VAL Axp A 4   ? 30.769 73.36  74.578 1   125.298 ? 12  A 1 c
ATOM 71   H HG13 . VAL Axp A 4   ? 31.309 73.028 73.125 1   125.119 ? 12  A 1 c
ATOM 72   H HG21 . VAL Axp A 4   ? 29.485 72.875 71.209 1   120.573 ? 12  A 1 c
ATOM 73   H HG22 . VAL Axp A 4   ? 27.993 73.242 71.605 1   120.503 ? 12  A 1 c
ATOM 74   H HG23 . VAL Axp A 4   ? 28.671 71.932 72.191 1   120.662 ? 12  A 1 c
ATOM 75   N N    . ASP Axp A 5   ? 28.603 72.272 75.895 1   157.479 ? 13  A 1 .
ATOM 76   C CA   . ASP Axp A 5   ? 28.378 71.052 76.657 1   149.606 ? 13  A 1 .
ATOM 77   C C    . ASP Axp A 5   ? 27.063 71.153 77.417 1   123.54  ? 13  A 1 .
ATOM 78   O O    . ASP Axp A 5   ? 26.401 70.143 77.6   1   101.73  ? 13  A 1 .
ATOM 79   C CB   . ASP Axp A 5   ? 29.542 70.692 77.575 1   150.831 ? 13  A 1 .
ATOM 80   C CG   . ASP Axp A 5   ? 30.216 69.359 77.269 1   161.992 ? 13  A 1 .
ATOM 81   O OD1  . ASP Axp A 5   ? 29.534 68.313 77.399 1   160.108 ? 13  A 1 .
ATOM 82   O OD2  . ASP Axp A 5   ? 31.412 69.372 76.897 1   149.118 ? 13  A 1 .
ATOM 83   H H    . ASP Axp A 5   ? 29.29  72.82  76.144 1   150.75  ? 13  A 1 c
ATOM 84   H HA   . ASP Axp A 5   ? 28.295 70.312 76.014 1   146.01  ? 13  A 1 c
ATOM 85   H HB3  . ASP Axp A 5   ? 29.22  70.661 78.5   1   152.841 ? 13  A 1 c
ATOM 86   H HB2  . ASP Axp A 5   ? 30.223 71.394 77.521 1   152.991 ? 13  A 1 c
ATOM 87   N N    . ASP Axp A 6   ? 26.715 72.375 77.84  1   135.096 ? 14  A 1 .
ATOM 88   C CA   . ASP Axp A 6   ? 25.491 72.663 78.574 1   151.642 ? 14  A 1 .
ATOM 89   C C    . ASP Axp A 6   ? 24.296 72.665 77.626 1   148.612 ? 14  A 1 .
ATOM 90   O O    . ASP Axp A 6   ? 23.243 72.136 77.973 1   139.468 ? 14  A 1 .
ATOM 91   C CB   . ASP Axp A 6   ? 25.572 73.989 79.319 1   153.16  ? 14  A 1 .
ATOM 92   C CG   . ASP Axp A 6   ? 24.328 74.865 79.239 1   154.672 ? 14  A 1 .
ATOM 93   O OD1  . ASP Axp A 6   ? 23.28  74.455 79.771 1   152.053 ? 14  A 1 .
ATOM 94   O OD2  . ASP Axp A 6   ? 24.404 75.931 78.6   1   146.751 ? 14  A 1 .
ATOM 95   H H    . ASP Axp A 6   ? 27.281 73.07  77.663 1   136.438 ? 14  A 1 c
ATOM 96   H HA   . ASP Axp A 6   ? 25.358 71.952 79.242 1   147.575 ? 14  A 1 c
ATOM 97   H HB3  . ASP Axp A 6   ? 26.308 74.505 78.943 1   152.999 ? 14  A 1 c
ATOM 98   H HB2  . ASP Axp A 6   ? 25.771 73.815 80.263 1   153.127 ? 14  A 1 c
ATOM 99   N N    . VAL Axp A 7   ? 24.46  73.301 76.457 1   146.508 ? 15  A 1 .
ATOM 100  C CA   . VAL Axp A 7   ? 23.407 73.352 75.454 1   136.141 ? 15  A 1 .
ATOM 101  C C    . VAL Axp A 7   ? 23.279 71.985 74.781 1   133.047 ? 15  A 1 .
ATOM 102  O O    . VAL Axp A 7   ? 22.346 71.761 74.013 1   105.974 ? 15  A 1 .
ATOM 103  C CB   . VAL Axp A 7   ? 23.645 74.444 74.396 1   117.128 ? 15  A 1 .
ATOM 104  C CG1  . VAL Axp A 7   ? 24.687 74.007 73.385 1   111.987 ? 15  A 1 .
ATOM 105  C CG2  . VAL Axp A 7   ? 22.359 74.816 73.671 1   123.315 ? 15  A 1 .
ATOM 106  H H    . VAL Axp A 7   ? 25.253 73.721 76.282 1   144.376 ? 15  A 1 c
ATOM 107  H HA   . VAL Axp A 7   ? 22.567 73.549 75.909 1   133.637 ? 15  A 1 c
ATOM 108  H HB   . VAL Axp A 7   ? 23.981 75.243 74.865 1   120.581 ? 15  A 1 c
ATOM 109  H HG11 . VAL Axp A 7   ? 24.263 73.493 72.677 1   113.813 ? 15  A 1 c
ATOM 110  H HG12 . VAL Axp A 7   ? 25.354 73.461 73.824 1   114.077 ? 15  A 1 c
ATOM 111  H HG13 . VAL Axp A 7   ? 25.114 74.791 73.001 1   113.662 ? 15  A 1 c
ATOM 112  H HG21 . VAL Axp A 7   ? 22.496 75.638 73.169 1   121.426 ? 15  A 1 c
ATOM 113  H HG22 . VAL Axp A 7   ? 21.647 74.95  74.318 1   121.491 ? 15  A 1 c
ATOM 114  H HG23 . VAL Axp A 7   ? 22.11  74.104 73.059 1   121.265 ? 15  A 1 c
ATOM 115  N N    . SER Axp A 8   ? 24.255 71.099 75.021 1   137.176 ? 16  A 1 .
ATOM 116  C CA   . SER Axp A 8   ? 24.14  69.709 74.615 1   139.941 ? 16  A 1 .
ATOM 117  C C    . SER Axp A 8   ? 22.952 69.057 75.32  1   120.299 ? 16  A 1 .
ATOM 118  O O    . SER Axp A 8   ? 22.091 68.487 74.658 1   99.364  ? 16  A 1 .
ATOM 119  C CB   . SER Axp A 8   ? 25.427 68.961 74.879 1   161.701 ? 16  A 1 .
ATOM 120  O OG   . SER Axp A 8   ? 25.315 67.587 74.537 1   176.955 ? 16  A 1 .
ATOM 121  H H    . SER Axp A 8   ? 25.028 71.375 75.422 1   137.02  ? 16  A 1 c
ATOM 122  H HA   . SER Axp A 8   ? 23.966 69.688 73.641 1   138.621 ? 16  A 1 c
ATOM 123  H HB3  . SER Axp A 8   ? 25.653 69.037 75.822 1   159.288 ? 16  A 1 c
ATOM 124  H HB2  . SER Axp A 8   ? 26.147 69.366 74.36  1   159.587 ? 16  A 1 c
ATOM 125  H HG   . SER Axp A 8   ? 26.117 67.246 74.958 0   230.78  ? 16  A 1 c
ATOM 126  N N    . LYS Axp A 9   ? 22.935 69.154 76.661 1   123.712 ? 17  A 1 .
ATOM 127  C CA   . LYS Axp A 9   ? 21.912 68.559 77.509 1   103.059 ? 17  A 1 .
ATOM 128  C C    . LYS Axp A 9   ? 20.535 69.078 77.115 1   91.39   ? 17  A 1 .
ATOM 129  O O    . LYS Axp A 9   ? 19.602 68.28  77.078 1   73.25   ? 17  A 1 .
ATOM 130  C CB   . LYS Axp A 9   ? 22.139 68.897 78.985 1   107.016 ? 17  A 1 .
ATOM 131  C CG   . LYS Axp A 9   ? 23.401 68.351 79.63  1   116.762 ? 17  A 1 .
ATOM 132  C CD   . LYS Axp A 9   ? 23.635 68.882 81.048 1   133.533 ? 17  A 1 .
ATOM 133  C CE   . LYS Axp A 9   ? 22.712 68.373 82.151 1   134.589 ? 17  A 1 .
ATOM 134  N NZ   . LYS Axp A 9   ? 21.504 69.162 82.453 1   123.255 ? 17  A 1 .
ATOM 135  H H    . LYS Axp A 9   ? 23.607 69.623 77.066 1   118.064 ? 17  A 1 c
ATOM 136  H HA   . LYS Axp A 9   ? 21.934 67.576 77.387 1   104.965 ? 17  A 1 c
ATOM 137  H HB3  . LYS Axp A 9   ? 21.371 68.564 79.496 1   108.153 ? 17  A 1 c
ATOM 138  H HB2  . LYS Axp A 9   ? 22.15  69.873 79.076 1   108.234 ? 17  A 1 c
ATOM 139  H HG3  . LYS Axp A 9   ? 24.17  68.589 79.067 1   117.974 ? 17  A 1 c
ATOM 140  H HG2  . LYS Axp A 9   ? 23.34  67.372 79.659 1   117.972 ? 17  A 1 c
ATOM 141  H HD3  . LYS Axp A 9   ? 23.568 69.861 81.017 1   129.732 ? 17  A 1 c
ATOM 142  H HD2  . LYS Axp A 9   ? 24.561 68.671 81.299 1   129.732 ? 17  A 1 c
ATOM 143  H HE3  . LYS Axp A 9   ? 23.234 68.299 82.969 1   131.567 ? 17  A 1 c
ATOM 144  H HE2  . LYS Axp A 9   ? 22.429 67.472 81.913 1   131.567 ? 17  A 1 c
ATOM 145  H HZ1  . LYS Axp A 9   ? 21.25  69.627 81.718 1   126.676 ? 17  A 1 c
ATOM 146  H HZ2  . LYS Axp A 9   ? 21.679 69.743 83.127 1   126.646 ? 17  A 1 c
ATOM 147  H HZ3  . LYS Axp A 9   ? 20.832 68.609 82.704 1   126.646 ? 17  A 1 c
ATOM 148  N N    . THR Axp A 10  ? 20.453 70.391 76.803 1   103.086 ? 18  A 1 .
ATOM 149  C CA   . THR Axp A 10  ? 19.217 71.087 76.443 1   109.08  ? 18  A 1 .
ATOM 150  C C    . THR Axp A 10  ? 18.514 70.327 75.323 1   113.235 ? 18  A 1 .
ATOM 151  O O    . THR Axp A 10  ? 17.293 70.222 75.325 1   117.261 ? 18  A 1 .
ATOM 152  C CB   . THR Axp A 10  ? 19.473 72.534 75.993 1   102.751 ? 18  A 1 .
ATOM 153  O OG1  . THR Axp A 10  ? 20.367 73.169 76.897 1   118.266 ? 18  A 1 .
ATOM 154  C CG2  . THR Axp A 10  ? 18.224 73.395 75.932 1   84.889  ? 18  A 1 .
ATOM 155  H H    . THR Axp A 10  ? 21.223 70.882 76.826 1   101.706 ? 18  A 1 c
ATOM 156  H HA   . THR Axp A 10  ? 18.63  71.103 77.231 1   107.452 ? 18  A 1 c
ATOM 157  H HB   . THR Axp A 10  ? 19.883 72.521 75.095 1   103.085 ? 18  A 1 c
ATOM 158  H HG1  . THR Axp A 10  ? 20.104 73.214 77.691 0   114.06  ? 18  A 1 c
ATOM 159  H HG21 . THR Axp A 10  ? 18.478 74.331 75.863 1   90.01   ? 18  A 1 c
ATOM 160  H HG22 . THR Axp A 10  ? 17.698 73.262 76.738 1   89.888  ? 18  A 1 c
ATOM 161  H HG23 . THR Axp A 10  ? 17.695 73.146 75.156 1   89.959  ? 18  A 1 c
ATOM 162  N N    . ILE Axp A 11  ? 19.296 69.803 74.374 1   109.46  ? 19  A 1 .
ATOM 163  C CA   . ILE Axp A 11  ? 18.738 69.174 73.19  1   122.82  ? 19  A 1 .
ATOM 164  C C    . ILE Axp A 11  ? 18.29  67.76  73.551 1   138.052 ? 19  A 1 .
ATOM 165  O O    . ILE Axp A 11  ? 17.239 67.293 73.113 1   159.448 ? 19  A 1 .
ATOM 166  C CB   . ILE Axp A 11  ? 19.737 69.14  72.015 1   127.129 ? 19  A 1 .
ATOM 167  C CG1  . ILE Axp A 11  ? 20.885 70.159 72.133 1   138.699 ? 19  A 1 .
ATOM 168  C CG2  . ILE Axp A 11  ? 18.995 69.27  70.684 1   113.703 ? 19  A 1 .
ATOM 169  C CD1  . ILE Axp A 11  ? 20.507 71.607 71.864 1   146.946 ? 19  A 1 .
ATOM 170  H H    . ILE Axp A 11  ? 20.202 69.817 74.483 1   113.397 ? 19  A 1 c
ATOM 171  H HA   . ILE Axp A 11  ? 17.955 69.683 72.913 1   123.381 ? 19  A 1 c
ATOM 172  H HB   . ILE Axp A 11  ? 20.15  68.254 72.022 1   125.503 ? 19  A 1 c
ATOM 173  H HG12 . ILE Axp A 11  ? 21.584 69.903 71.496 1   137.614 ? 19  A 1 c
ATOM 174  H HG13 . ILE Axp A 11  ? 21.271 70.095 73.026 1   136.822 ? 19  A 1 c
ATOM 175  H HG21 . ILE Axp A 11  ? 19.635 69.425 69.969 1   117.525 ? 19  A 1 c
ATOM 176  H HG22 . ILE Axp A 11  ? 18.373 70.017 70.726 1   117.815 ? 19  A 1 c
ATOM 177  H HG23 . ILE Axp A 11  ? 18.503 68.452 70.504 1   117.56  ? 19  A 1 c
ATOM 178  H HD11 . ILE Axp A 11  ? 19.951 71.668 71.065 1   143.999 ? 19  A 1 c
ATOM 179  H HD12 . ILE Axp A 11  ? 21.317 72.135 71.732 1   144.094 ? 19  A 1 c
ATOM 180  H HD13 . ILE Axp A 11  ? 20.013 71.961 72.628 1   144.304 ? 19  A 1 c
ATOM 181  N N    . LYS Axp A 12  ? 19.104 67.063 74.342 1   128.527 ? 20  A 1 .
ATOM 182  C CA   . LYS Axp A 12  ? 18.763 65.711 74.74  1   124.21  ? 20  A 1 .
ATOM 183  C C    . LYS Axp A 12  ? 17.555 65.73  75.671 1   133.96  ? 20  A 1 .
ATOM 184  O O    . LYS Axp A 12  ? 17.039 64.664 75.989 1   126.301 ? 20  A 1 .
ATOM 185  C CB   . LYS Axp A 12  ? 19.953 65.067 75.452 1   130.2   ? 20  A 1 .
ATOM 186  C CG   . LYS Axp A 12  ? 21.265 65.051 74.681 1   117.79  ? 20  A 1 .
ATOM 187  C CD   . LYS Axp A 12  ? 22.349 64.394 75.518 1   116.831 ? 20  A 1 .
ATOM 188  C CE   . LYS Axp A 12  ? 23.45  63.88  74.684 1   131.031 ? 20  A 1 .
ATOM 189  N NZ   . LYS Axp A 12  ? 24.035 62.717 75.346 1   145.855 ? 20  A 1 .
ATOM 190  H H    . LYS Axp A 12  ? 19.88  67.438 74.645 1   129.382 ? 20  A 1 c
ATOM 191  H HA   . LYS Axp A 12  ? 18.54  65.187 73.929 1   128.063 ? 20  A 1 c
ATOM 192  H HB3  . LYS Axp A 12  ? 19.716 64.141 75.671 1   125.858 ? 20  A 1 c
ATOM 193  H HB2  . LYS Axp A 12  ? 20.102 65.541 76.298 1   125.92  ? 20  A 1 c
ATOM 194  H HG3  . LYS Axp A 12  ? 21.528 65.971 74.464 1   120.286 ? 20  A 1 c
ATOM 195  H HG2  . LYS Axp A 12  ? 21.141 64.552 73.844 1   120.417 ? 20  A 1 c
ATOM 196  H HD3  . LYS Axp A 12  ? 21.958 63.653 76.03  1   120.727 ? 20  A 1 c
ATOM 197  H HD2  . LYS Axp A 12  ? 22.707 65.051 76.154 1   120.338 ? 20  A 1 c
ATOM 198  H HE3  . LYS Axp A 12  ? 24.133 64.566 74.573 1   130.841 ? 20  A 1 c
ATOM 199  H HE2  . LYS Axp A 12  ? 23.124 63.618 73.804 1   130.734 ? 20  A 1 c
ATOM 200  H HZ1  . LYS Axp A 12  ? 23.453 62.023 75.321 1   140.892 ? 20  A 1 c
ATOM 201  H HZ2  . LYS Axp A 12  ? 24.226 62.915 76.21  1   140.774 ? 20  A 1 c
ATOM 202  H HZ3  . LYS Axp A 12  ? 24.798 62.478 74.921 1   141.011 ? 20  A 1 c
ATOM 203  N N    . GLU Axp A 13  ? 17.16  66.933 76.135 1   152.355 ? 21  A 1 .
ATOM 204  C CA   . GLU Axp A 13  ? 15.963 67.129 76.945 1   141.509 ? 21  A 1 .
ATOM 205  C C    . GLU Axp A 13  ? 14.747 67.331 76.044 1   138.339 ? 21  A 1 .
ATOM 206  O O    . GLU Axp A 13  ? 13.625 67.333 76.536 1   150.515 ? 21  A 1 .
ATOM 207  C CB   . GLU Axp A 13  ? 16.018 68.345 77.877 1   134.273 ? 21  A 1 .
ATOM 208  C CG   . GLU Axp A 13  ? 16.977 68.217 79.061 1   149.284 ? 21  A 1 .
ATOM 209  C CD   . GLU Axp A 13  ? 17.101 69.477 79.92  1   141.182 ? 21  A 1 .
ATOM 210  O OE1  . GLU Axp A 13  ? 16.142 70.28  79.874 1   133.102 ? 21  A 1 .
ATOM 211  O OE2  . GLU Axp A 13  ? 18.127 69.692 80.625 1   104.61  ? 21  A 1 .
ATOM 212  H H    . GLU Axp A 13  ? 17.681 67.663 75.962 1   144.765 ? 21  A 1 c
ATOM 213  H HA   . GLU Axp A 13  ? 15.82  66.317 77.494 1   141.473 ? 21  A 1 c
ATOM 214  H HB3  . GLU Axp A 13  ? 15.12  68.508 78.232 1   139.215 ? 21  A 1 c
ATOM 215  H HB2  . GLU Axp A 13  ? 16.276 69.13  77.353 1   139.076 ? 21  A 1 c
ATOM 216  H HG3  . GLU Axp A 13  ? 17.867 67.981 78.727 1   143.232 ? 21  A 1 c
ATOM 217  H HG2  . GLU Axp A 13  ? 16.676 67.481 79.635 1   143.763 ? 21  A 1 c
ATOM 218  N N    . ALA Axp A 14  ? 14.971 67.508 74.734 1   131.48  ? 22  A 1 .
ATOM 219  C CA   . ALA Axp A 14  ? 13.889 67.582 73.767 1   130.142 ? 22  A 1 .
ATOM 220  C C    . ALA Axp A 14  ? 13.488 66.177 73.331 1   141.686 ? 22  A 1 .
ATOM 221  O O    . ALA Axp A 14  ? 12.918 65.999 72.261 1   137.516 ? 22  A 1 .
ATOM 222  C CB   . ALA Axp A 14  ? 14.313 68.42  72.584 1   129.175 ? 22  A 1 .
ATOM 223  H H    . ALA Axp A 14  ? 15.828 67.599 74.435 1   132.969 ? 22  A 1 c
ATOM 224  H HA   . ALA Axp A 14  ? 13.103 68.011 74.203 1   132.624 ? 22  A 1 c
ATOM 225  H HB3  . ALA Axp A 14  ? 13.526 68.772 72.135 1   129.583 ? 22  A 1 c
ATOM 226  H HB2  . ALA Axp A 14  ? 14.822 67.875 71.961 1   129.61  ? 22  A 1 c
ATOM 227  H HB1  . ALA Axp A 14  ? 14.865 69.159 72.889 1   129.592 ? 22  A 1 c
ATOM 228  N N    . ILE Axp A 15  ? 13.856 65.178 74.137 1   162.158 ? 23  A 1 .
ATOM 229  C CA   . ILE Axp A 15  ? 13.381 63.817 73.957 1   169.466 ? 23  A 1 .
ATOM 230  C C    . ILE Axp A 15  ? 12.576 63.394 75.18  1   153.542 ? 23  A 1 .
ATOM 231  O O    . ILE Axp A 15  ? 11.712 62.535 75.072 1   128.838 ? 23  A 1 .
ATOM 232  C CB   . ILE Axp A 15  ? 14.552 62.848 73.718 1   191.978 ? 23  A 1 .
ATOM 233  C CG1  . ILE Axp A 15  ? 14.253 61.898 72.572 1   200.441 ? 23  A 1 .
ATOM 234  C CG2  . ILE Axp A 15  ? 14.937 62.094 74.998 1   176.872 ? 23  A 1 .
ATOM 235  C CD1  . ILE Axp A 15  ? 14.731 62.36  71.205 1   179.116 ? 23  A 1 .
ATOM 236  H H    . ILE Axp A 15  ? 14.465 65.339 74.798 1   158.033 ? 23  A 1 c
ATOM 237  H HA   . ILE Axp A 15  ? 12.794 63.793 73.177 1   168.731 ? 23  A 1 c
ATOM 238  H HB   . ILE Axp A 15  ? 15.325 63.386 73.454 1   186.063 ? 23  A 1 c
ATOM 239  H HG12 . ILE Axp A 15  ? 13.288 61.756 72.529 1   192.801 ? 23  A 1 c
ATOM 240  H HG13 . ILE Axp A 15  ? 14.669 61.034 72.769 1   193.124 ? 23  A 1 c
ATOM 241  H HG21 . ILE Axp A 15  ? 15.734 61.564 74.833 1   181.025 ? 23  A 1 c
ATOM 242  H HG22 . ILE Axp A 15  ? 14.211 61.505 75.265 1   180.564 ? 23  A 1 c
ATOM 243  H HG23 . ILE Axp A 15  ? 15.119 62.729 75.712 1   180.642 ? 23  A 1 c
ATOM 244  H HD11 . ILE Axp A 15  ? 14.638 63.329 71.139 1   184.922 ? 23  A 1 c
ATOM 245  H HD12 . ILE Axp A 15  ? 14.193 61.937 70.509 1   184.666 ? 23  A 1 c
ATOM 246  H HD13 . ILE Axp A 15  ? 15.669 62.117 71.084 1   184.413 ? 23  A 1 c
ATOM 247  N N    . GLU Axp A 16  ? 12.916 63.957 76.345 1   162.816 ? 24  A 1 .
ATOM 248  C CA   . GLU Axp A 16  ? 12.153 63.759 77.564 1   162.75  ? 24  A 1 .
ATOM 249  C C    . GLU Axp A 16  ? 10.886 64.612 77.535 1   159.364 ? 24  A 1 .
ATOM 250  O O    . GLU Axp A 16  ? 10.194 64.694 78.549 1   146.184 ? 24  A 1 .
ATOM 251  C CB   . GLU Axp A 16  ? 13.008 64.135 78.775 1   163.079 ? 24  A 1 .
ATOM 252  C CG   . GLU Axp A 16  ? 14.268 63.285 78.912 1   176.076 ? 24  A 1 .
ATOM 253  C CD   . GLU Axp A 16  ? 15.242 63.768 79.976 1   177.523 ? 24  A 1 .
ATOM 254  O OE1  . GLU Axp A 16  ? 15.093 64.917 80.453 1   157.883 ? 24  A 1 .
ATOM 255  O OE2  . GLU Axp A 16  ? 16.147 62.981 80.336 1   177.004 ? 24  A 1 .
ATOM 256  H H    . GLU Axp A 16  ? 13.664 64.48  76.384 1   160.913 ? 24  A 1 c
ATOM 257  H HA   . GLU Axp A 16  ? 11.898 62.803 77.628 1   161.951 ? 24  A 1 c
ATOM 258  H HB3  . GLU Axp A 16  ? 12.47  64.035 79.587 1   165.751 ? 24  A 1 c
ATOM 259  H HB2  . GLU Axp A 16  ? 13.261 65.079 78.698 1   165.797 ? 24  A 1 c
ATOM 260  H HG3  . GLU Axp A 16  ? 14.737 63.265 78.051 1   173.22  ? 24  A 1 c
ATOM 261  H HG2  . GLU Axp A 16  ? 14.008 62.364 79.127 1   173.336 ? 24  A 1 c
ATOM 262  N N    . THR Axp A 17  ? 10.594 65.242 76.381 1   150.732 ? 25  A 1 .
ATOM 263  C CA   . THR Axp A 17  ? 9.377  66.017 76.198 1   151.277 ? 25  A 1 .
ATOM 264  C C    . THR Axp A 17  ? 8.394  65.165 75.404 1   166.479 ? 25  A 1 .
ATOM 265  O O    . THR Axp A 17  ? 7.574  64.456 75.993 1   163.455 ? 25  A 1 .
ATOM 266  C CB   . THR Axp A 17  ? 9.645  67.353 75.494 1   151.555 ? 25  A 1 .
ATOM 267  O OG1  . THR Axp A 17  ? 11.003 67.722 75.731 1   184.417 ? 25  A 1 .
ATOM 268  C CG2  . THR Axp A 17  ? 8.658  68.436 75.909 1   128.52  ? 25  A 1 .
ATOM 269  H H    . THR Axp A 17  ? 11.186 65.203 75.687 1   153.018 ? 25  A 1 c
ATOM 270  H HA   . THR Axp A 17  ? 8.99   66.204 77.081 1   153.738 ? 25  A 1 c
ATOM 271  H HB   . THR Axp A 17  ? 9.531  67.238 74.521 1   153.079 ? 25  A 1 c
ATOM 272  H HG1  . THR Axp A 17  ? 11.158 67.941 76.27  0   197.65  ? 25  A 1 c
ATOM 273  H HG21 . THR Axp A 17  ? 8.81   69.235 75.378 1   134.926 ? 25  A 1 c
ATOM 274  H HG22 . THR Axp A 17  ? 8.782  68.645 76.851 1   134.926 ? 25  A 1 c
ATOM 275  H HG23 . THR Axp A 17  ? 7.75   68.12  75.765 1   134.926 ? 25  A 1 c
ATOM 276  N N    . THR Axp A 18  ? 8.515  65.223 74.069 1   184.045 ? 26  A 1 .
ATOM 277  C CA   . THR Axp A 18  ? 7.502  64.673 73.183 1   196.628 ? 26  A 1 .
ATOM 278  C C    . THR Axp A 18  ? 7.729  63.172 73.086 1   203.791 ? 26  A 1 .
ATOM 279  O O    . THR Axp A 18  ? 8.408  62.592 73.929 1   200.318 ? 26  A 1 .
ATOM 280  C CB   . THR Axp A 18  ? 7.504  65.366 71.817 1   186.32  ? 26  A 1 .
ATOM 281  O OG1  . THR Axp A 18  ? 8.854  65.628 71.461 1   179.18  ? 26  A 1 .
ATOM 282  C CG2  . THR Axp A 18  ? 6.735  66.673 71.843 1   188.151 ? 26  A 1 .
ATOM 283  H H    . THR Axp A 18  ? 9.27   65.578 73.699 1   181.645 ? 26  A 1 c
ATOM 284  H HA   . THR Axp A 18  ? 6.624  64.825 73.597 1   193.124 ? 26  A 1 c
ATOM 285  H HB   . THR Axp A 18  ? 7.096  64.788 71.13  1   187.594 ? 26  A 1 c
ATOM 286  H HG1  . THR Axp A 18  ? 8.966  66.153 71.841 0   122.06  ? 26  A 1 c
ATOM 287  H HG21 . THR Axp A 18  ? 6.774  67.09  70.966 1   187.607 ? 26  A 1 c
ATOM 288  H HG22 . THR Axp A 18  ? 7.13   67.269 72.502 1   187.607 ? 26  A 1 c
ATOM 289  H HG23 . THR Axp A 18  ? 5.808  66.5   72.078 1   187.607 ? 26  A 1 c
ATOM 290  N N    . ILE Axp A 19  ? 7.128  62.553 72.071 1   226.81  ? 27  A 1 .
ATOM 291  C CA   . ILE Axp A 19  ? 7.083  61.102 71.972 1   230.12  ? 27  A 1 .
ATOM 292  C C    . ILE Axp A 19  ? 8.482  60.53  71.745 1   227.866 ? 27  A 1 .
ATOM 293  O O    . ILE Axp A 19  ? 8.609  59.413 71.243 1   252.723 ? 27  A 1 .
ATOM 294  C CB   . ILE Axp A 19  ? 6.074  60.652 70.891 1   198.362 ? 27  A 1 .
ATOM 295  C CG1  . ILE Axp A 19  ? 6.138  61.508 69.625 1   179.238 ? 27  A 1 .
ATOM 296  C CG2  . ILE Axp A 19  ? 4.649  60.6   71.448 1   167.503 ? 27  A 1 .
ATOM 297  C CD1  . ILE Axp A 19  ? 7.147  61.053 68.586 1   159.901 ? 27  A 1 .
ATOM 298  H H    . ILE Axp A 19  ? 6.697  63.05  71.44  1   220.013 ? 27  A 1 c
ATOM 299  H HA   . ILE Axp A 19  ? 6.764  60.762 72.831 1   221.955 ? 27  A 1 c
ATOM 300  H HB   . ILE Axp A 19  ? 6.314  59.743 70.631 1   193.552 ? 27  A 1 c
ATOM 301  H HG12 . ILE Axp A 19  ? 6.345  62.431 69.872 1   179.478 ? 27  A 1 c
ATOM 302  H HG13 . ILE Axp A 19  ? 5.251  61.509 69.211 1   178.648 ? 27  A 1 c
ATOM 303  H HG21 . ILE Axp A 19  ? 4.142  59.916 70.979 1   176.168 ? 27  A 1 c
ATOM 304  H HG22 . ILE Axp A 19  ? 4.219  61.462 71.322 1   176.193 ? 27  A 1 c
ATOM 305  H HG23 . ILE Axp A 19  ? 4.674  60.389 72.395 1   176.582 ? 27  A 1 c
ATOM 306  H HD11 . ILE Axp A 19  ? 7.805  60.466 69.003 1   166.361 ? 27  A 1 c
ATOM 307  H HD12 . ILE Axp A 19  ? 7.603  61.828 68.209 1   165.49  ? 27  A 1 c
ATOM 308  H HD13 . ILE Axp A 19  ? 6.689  60.566 67.875 1   165.547 ? 27  A 1 c
ATOM 309  N N    . GLY Axp A 20  ? 9.522  61.262 72.17  1   184.779 ? 28  A 1 .
ATOM 310  C CA   . GLY Axp A 20  ? 10.858 60.709 72.307 1   176.33  ? 28  A 1 .
ATOM 311  C C    . GLY Axp A 20  ? 10.9   59.526 73.277 1   174.533 ? 28  A 1 .
ATOM 312  O O    . GLY Axp A 20  ? 11.76  59.44  74.15  1   190.735 ? 28  A 1 .
ATOM 313  H H    . GLY Axp A 20  ? 9.402  62.147 72.358 1   192.785 ? 28  A 1 c
ATOM 314  H HA3  . GLY Axp A 20  ? 11.458 61.416 72.631 1   177.844 ? 28  A 1 c
ATOM 315  H HA2  . GLY Axp A 20  ? 11.18  60.42  71.421 1   177.894 ? 28  A 1 c
ATOM 316  N N    . GLY Axp A 21  ? 9.982  58.585 73.088 1   163.254 ? 29  A 1 .
ATOM 317  C CA   . GLY Axp A 21  ? 9.87   57.426 73.955 1   148.232 ? 29  A 1 .
ATOM 318  C C    . GLY Axp A 21  ? 8.845  56.442 73.404 1   141.281 ? 29  A 1 .
ATOM 319  O O    . GLY Axp A 21  ? 8.759  55.329 73.908 1   149.007 ? 29  A 1 .
ATOM 320  H H    . GLY Axp A 21  ? 9.428  58.652 72.367 1   163.198 ? 29  A 1 c
ATOM 321  H HA3  . GLY Axp A 21  ? 9.6    57.718 74.857 1   150.104 ? 29  A 1 c
ATOM 322  H HA2  . GLY Axp A 21  ? 10.749 56.985 74.025 1   150.255 ? 29  A 1 c
ATOM 323  N N    . ASN Axp A 22  ? 8.087  56.873 72.378 1   140.075 ? 30  A 1 .
ATOM 324  C CA   . ASN Axp A 22  ? 7.082  56.061 71.704 1   146.746 ? 30  A 1 .
ATOM 325  C C    . ASN Axp A 22  ? 7.677  55.483 70.416 1   133.457 ? 30  A 1 .
ATOM 326  O O    . ASN Axp A 22  ? 8.856  55.136 70.377 1   135.244 ? 30  A 1 .
ATOM 327  C CB   . ASN Axp A 22  ? 5.799  56.866 71.5   1   156.247 ? 30  A 1 .
ATOM 328  C CG   . ASN Axp A 22  ? 4.909  56.894 72.724 1   167.377 ? 30  A 1 .
ATOM 329  O OD1  . ASN Axp A 22  ? 4.633  57.968 73.269 1   165.37  ? 30  A 1 .
ATOM 330  N ND2  . ASN Axp A 22  ? 4.413  55.742 73.156 1   169.781 ? 30  A 1 .
ATOM 331  H H    . ASN Axp A 22  ? 8.193  57.731 72.089 1   142.755 ? 30  A 1 c
ATOM 332  H HA   . ASN Axp A 22  ? 6.859  55.306 72.294 1   144.822 ? 30  A 1 c
ATOM 333  H HB3  . ASN Axp A 22  ? 5.291  56.486 70.759 1   156.126 ? 30  A 1 c
ATOM 334  H HB2  . ASN Axp A 22  ? 6.034  57.783 71.261 1   156.809 ? 30  A 1 c
ATOM 335  H HD21 . ASN Axp A 22  ? 4.263  55.623 74.022 1   169.016 ? 30  A 1 c
ATOM 336  H HD22 . ASN Axp A 22  ? 4.233  55.093 72.579 1   168.948 ? 30  A 1 c
ATOM 337  N N    . ALA Axp A 23  ? 6.849  55.33  69.372 1   137.465 ? 31  A 1 .
ATOM 338  C CA   . ALA Axp A 23  ? 7.306  54.859 68.069 1   131.142 ? 31  A 1 .
ATOM 339  C C    . ALA Axp A 23  ? 6.576  55.615 66.965 1   118.151 ? 31  A 1 .
ATOM 340  O O    . ALA Axp A 23  ? 5.638  56.371 67.243 1   103.113 ? 31  A 1 .
ATOM 341  C CB   . ALA Axp A 23  ? 7.1    53.368 67.934 1   133.08  ? 31  A 1 .
ATOM 342  H H    . ALA Axp A 23  ? 5.959  55.504 69.478 1   135.362 ? 31  A 1 c
ATOM 343  H HA   . ALA Axp A 23  ? 8.279  55.06  67.987 1   130.225 ? 31  A 1 c
ATOM 344  H HB3  . ALA Axp A 23  ? 7.653  53.024 67.213 1   132.307 ? 31  A 1 c
ATOM 345  H HB2  . ALA Axp A 23  ? 6.166  53.182 67.739 1   132.373 ? 31  A 1 c
ATOM 346  H HB1  . ALA Axp A 23  ? 7.347  52.928 68.765 1   132.44  ? 31  A 1 c
ATOM 347  N N    . TYR Axp A 24  ? 7.002  55.362 65.72  1   108.834 ? 32  A 1 .
ATOM 348  C CA   . TYR Axp A 24  ? 6.794  56.303 64.628 1   137.445 ? 32  A 1 .
ATOM 349  C C    . TYR Axp A 24  ? 5.618  55.867 63.752 1   134.349 ? 32  A 1 .
ATOM 350  O O    . TYR Axp A 24  ? 5.477  54.679 63.454 1   126.182 ? 32  A 1 .
ATOM 351  C CB   . TYR Axp A 24  ? 8.093  56.435 63.818 1   161.449 ? 32  A 1 .
ATOM 352  C CG   . TYR Axp A 24  ? 7.909  57.064 62.438 1   170.07  ? 32  A 1 .
ATOM 353  C CD1  . TYR Axp A 24  ? 7.382  56.327 61.379 1   150.38  ? 32  A 1 .
ATOM 354  C CD2  . TYR Axp A 24  ? 8.246  58.392 62.189 1   166.105 ? 32  A 1 .
ATOM 355  C CE1  . TYR Axp A 24  ? 7.181  56.892 60.128 1   133.277 ? 32  A 1 .
ATOM 356  C CE2  . TYR Axp A 24  ? 8.072  58.962 60.931 1   152.32  ? 32  A 1 .
ATOM 357  C CZ   . TYR Axp A 24  ? 7.528  58.211 59.897 1   131.923 ? 32  A 1 .
ATOM 358  O OH   . TYR Axp A 24  ? 7.3    58.728 58.648 1   107.003 ? 32  A 1 .
ATOM 359  H H    . TYR Axp A 24  ? 7.422  54.572 65.545 1   117.442 ? 32  A 1 c
ATOM 360  H HA   . TYR Axp A 24  ? 6.582  57.192 65.019 1   134.615 ? 32  A 1 c
ATOM 361  H HB3  . TYR Axp A 24  ? 8.483  55.548 63.707 1   155.962 ? 32  A 1 c
ATOM 362  H HB2  . TYR Axp A 24  ? 8.728  56.981 64.333 1   157.206 ? 32  A 1 c
ATOM 363  H HD1  . TYR Axp A 24  ? 7.131  55.428 61.521 1   150.024 ? 32  A 1 c
ATOM 364  H HD2  . TYR Axp A 24  ? 8.615  58.913 62.883 1   163.182 ? 32  A 1 c
ATOM 365  H HE1  . TYR Axp A 24  ? 6.815  56.374 59.432 1   136.998 ? 32  A 1 c
ATOM 366  H HE2  . TYR Axp A 24  ? 8.3    59.863 60.787 1   149.9   ? 32  A 1 c
ATOM 367  H HH   . TYR Axp A 24  ? 7.086  58.26  58.185 0   48.76   ? 32  A 1 c
ATOM 368  N N    . GLN Axp A 25  ? 4.809  56.844 63.307 1   130.962 ? 33  A 1 .
ATOM 369  C CA   . GLN Axp A 25  ? 3.848  56.623 62.232 1   157.346 ? 33  A 1 .
ATOM 370  C C    . GLN Axp A 25  ? 3.423  57.955 61.601 1   154.728 ? 33  A 1 .
ATOM 371  O O    . GLN Axp A 25  ? 3.409  58.988 62.27  1   128.719 ? 33  A 1 .
ATOM 372  C CB   . GLN Axp A 25  ? 2.676  55.746 62.676 1   168.658 ? 33  A 1 .
ATOM 373  C CG   . GLN Axp A 25  ? 1.771  55.316 61.528 1   177.287 ? 33  A 1 .
ATOM 374  C CD   . GLN Axp A 25  ? 1.54   53.823 61.45  1   162.148 ? 33  A 1 .
ATOM 375  O OE1  . GLN Axp A 25  ? 0.442  53.331 61.73  1   151.006 ? 33  A 1 .
ATOM 376  N NE2  . GLN Axp A 25  ? 2.563  53.088 61.035 1   157.646 ? 33  A 1 .
ATOM 377  H H    . GLN Axp A 25  ? 4.85   57.67  63.694 1   138.074 ? 33  A 1 c
ATOM 378  H HA   . GLN Axp A 25  ? 4.318  56.108 61.527 1   153.29  ? 33  A 1 c
ATOM 379  H HB3  . GLN Axp A 25  ? 2.139  56.241 63.317 1   167.815 ? 33  A 1 c
ATOM 380  H HB2  . GLN Axp A 25  ? 3.022  54.95  63.128 1   167.427 ? 33  A 1 c
ATOM 381  H HG3  . GLN Axp A 25  ? 2.165  55.598 60.68  1   171.255 ? 33  A 1 c
ATOM 382  H HG2  . GLN Axp A 25  ? 0.903  55.764 61.616 1   171.639 ? 33  A 1 c
ATOM 383  H HE21 . GLN Axp A 25  ? 2.414  52.324 60.609 1   159.046 ? 33  A 1 c
ATOM 384  H HE22 . GLN Axp A 25  ? 3.394  53.361 61.183 1   159.138 ? 33  A 1 c
ATOM 385  N N    . HIS Axp A 26  ? 3.053  57.873 60.307 1   161.64  ? 34  A 1 .
ATOM 386  C CA   . HIS Axp A 26  ? 3.036  58.977 59.353 1   167.34  ? 34  A 1 .
ATOM 387  C C    . HIS Axp A 26  ? 2.132  60.127 59.788 1   178.677 ? 34  A 1 .
ATOM 388  O O    . HIS Axp A 26  ? 2.529  61.281 59.67  1   180.689 ? 34  A 1 .
ATOM 389  C CB   . HIS Axp A 26  ? 2.626  58.497 57.949 1   165.194 ? 34  A 1 .
ATOM 390  C CG   . HIS Axp A 26  ? 1.681  59.421 57.226 1   175.141 ? 34  A 1 .
ATOM 391  N ND1  . HIS Axp A 26  ? 2.03   60.628 56.656 1   180.471 ? 34  A 1 .
ATOM 392  C CD2  . HIS Axp A 26  ? 0.356  59.307 57.034 1   173.694 ? 34  A 1 .
ATOM 393  C CE1  . HIS Axp A 26  ? 0.95   61.201 56.133 1   169.096 ? 34  A 1 .
ATOM 394  N NE2  . HIS Axp A 26  ? -0.077 60.412 56.342 1   162.915 ? 34  A 1 .
ATOM 395  H H    . HIS Axp A 26  ? 2.81   57.051 59.994 1   161.436 ? 34  A 1 c
ATOM 396  H HA   . HIS Axp A 26  ? 3.959  59.321 59.292 1   167.676 ? 34  A 1 c
ATOM 397  H HB3  . HIS Axp A 26  ? 2.203  57.615 58.028 1   167.791 ? 34  A 1 c
ATOM 398  H HB2  . HIS Axp A 26  ? 3.436  58.385 57.408 1   167.664 ? 34  A 1 c
ATOM 399  H HD1  . HIS Axp A 26  ? 2.838  60.654 56.627 0   173.89  ? 34  A 1 c
ATOM 400  H HD2  . HIS Axp A 26  ? -0.185 58.593 57.308 1   171.509 ? 34  A 1 c
ATOM 401  H HE1  . HIS Axp A 26  ? 0.932  62.024 55.675 1   170.199 ? 34  A 1 c
ATOM 402  H HE2  . HIS Axp A 26  ? -0.922 60.445 56.068 0   85.72   ? 34  A 1 c
ATOM 403  N N    . ASP Axp A 27  ? 0.927  59.81  60.27  1   187.37  ? 35  A 1 .
ATOM 404  C CA   . ASP Axp A 27  ? -0.169 60.766 60.307 1   172.933 ? 35  A 1 .
ATOM 405  C C    . ASP Axp A 27  ? 0.001  61.752 61.457 1   159.674 ? 35  A 1 .
ATOM 406  O O    . ASP Axp A 27  ? -0.71  62.752 61.498 1   155.285 ? 35  A 1 .
ATOM 407  C CB   . ASP Axp A 27  ? -1.507 60.047 60.369 1   172.032 ? 35  A 1 .
ATOM 408  C CG   . ASP Axp A 27  ? -1.437 58.634 60.93  1   163.762 ? 35  A 1 .
ATOM 409  O OD1  . ASP Axp A 27  ? -0.581 58.405 61.816 1   149.923 ? 35  A 1 .
ATOM 410  O OD2  . ASP Axp A 27  ? -2.221 57.774 60.463 1   138.23  ? 35  A 1 .
ATOM 411  H H    . ASP Axp A 27  ? 0.79   58.968 60.596 1   181.479 ? 35  A 1 c
ATOM 412  H HA   . ASP Axp A 27  ? -0.156 61.274 59.464 1   172.988 ? 35  A 1 c
ATOM 413  H HB3  . ASP Axp A 27  ? -1.878 59.997 59.463 1   170.055 ? 35  A 1 c
ATOM 414  H HB2  . ASP Axp A 27  ? -2.13  60.564 60.921 1   170.111 ? 35  A 1 c
ATOM 415  N N    . LYS Axp A 28  ? 0.948  61.478 62.364 1   143.022 ? 36  A 1 .
ATOM 416  C CA   . LYS Axp A 28  ? 1.09   62.258 63.58  1   144.927 ? 36  A 1 .
ATOM 417  C C    . LYS Axp A 28  ? 2.524  62.743 63.765 1   141.938 ? 36  A 1 .
ATOM 418  O O    . LYS Axp A 28  ? 2.898  63.103 64.874 1   132.355 ? 36  A 1 .
ATOM 419  C CB   . LYS Axp A 28  ? 0.716  61.379 64.778 1   167.511 ? 36  A 1 .
ATOM 420  C CG   . LYS Axp A 28  ? 1.533  60.099 64.916 1   181.67  ? 36  A 1 .
ATOM 421  C CD   . LYS Axp A 28  ? 1.34   59.371 66.244 1   183.68  ? 36  A 1 .
ATOM 422  C CE   . LYS Axp A 28  ? 2.168  58.12  66.384 1   182.594 ? 36  A 1 .
ATOM 423  N NZ   . LYS Axp A 28  ? 2.077  57.227 65.225 1   162.765 ? 36  A 1 .
ATOM 424  H H    . LYS Axp A 28  ? 1.52   60.781 62.224 1   148.345 ? 36  A 1 c
ATOM 425  H HA   . LYS Axp A 28  ? 0.485  63.041 63.538 1   147.937 ? 36  A 1 c
ATOM 426  H HB3  . LYS Axp A 28  ? -0.23  61.133 64.7   1   165.059 ? 36  A 1 c
ATOM 427  H HB2  . LYS Axp A 28  ? 0.819  61.903 65.6   1   164.788 ? 36  A 1 c
ATOM 428  H HG3  . LYS Axp A 28  ? 2.476  60.317 64.8   1   178.376 ? 36  A 1 c
ATOM 429  H HG2  . LYS Axp A 28  ? 1.28   59.494 64.185 1   178.143 ? 36  A 1 c
ATOM 430  H HD3  . LYS Axp A 28  ? 0.392  59.136 66.339 1   182.972 ? 36  A 1 c
ATOM 431  H HD2  . LYS Axp A 28  ? 1.568  59.985 66.976 1   182.972 ? 36  A 1 c
ATOM 432  H HE3  . LYS Axp A 28  ? 1.871  57.633 67.173 1   177.907 ? 36  A 1 c
ATOM 433  H HE2  . LYS Axp A 28  ? 3.102  58.36  66.521 1   177.887 ? 36  A 1 c
ATOM 434  H HZ1  . LYS Axp A 28  ? 2.598  57.568 64.57  1   168.477 ? 36  A 1 c
ATOM 435  H HZ2  . LYS Axp A 28  ? 1.216  57.179 64.946 1   168.665 ? 36  A 1 c
ATOM 436  H HZ3  . LYS Axp A 28  ? 2.372  56.401 65.456 1   168.601 ? 36  A 1 c
ATOM 437  N N    . VAL Axp A 29  ? 3.309  62.766 62.682 1   156.186 ? 37  A 1 .
ATOM 438  C CA   . VAL Axp A 29  ? 4.751  62.952 62.774 1   151.864 ? 37  A 1 .
ATOM 439  C C    . VAL Axp A 29  ? 5.098  64.434 62.866 1   136.853 ? 37  A 1 .
ATOM 440  O O    . VAL Axp A 29  ? 5.951  64.822 63.662 1   125.477 ? 37  A 1 .
ATOM 441  C CB   . VAL Axp A 29  ? 5.506  62.342 61.58  1   145.154 ? 37  A 1 .
ATOM 442  C CG1  . VAL Axp A 29  ? 7.015  62.488 61.751 1   129.744 ? 37  A 1 .
ATOM 443  C CG2  . VAL Axp A 29  ? 5.107  60.9   61.337 1   149.612 ? 37  A 1 .
ATOM 444  H H    . VAL Axp A 29  ? 2.931  62.684 61.854 1   151.301 ? 37  A 1 c
ATOM 445  H HA   . VAL Axp A 29  ? 5.061  62.515 63.582 1   148.953 ? 37  A 1 c
ATOM 446  H HB   . VAL Axp A 29  ? 5.247  62.859 60.782 1   144.121 ? 37  A 1 c
ATOM 447  H HG11 . VAL Axp A 29  ? 7.234  62.541 62.695 1   134.673 ? 37  A 1 c
ATOM 448  H HG12 . VAL Axp A 29  ? 7.313  63.299 61.307 1   134.005 ? 37  A 1 c
ATOM 449  H HG13 . VAL Axp A 29  ? 7.462  61.722 61.36  1   134.198 ? 37  A 1 c
ATOM 450  H HG21 . VAL Axp A 29  ? 5.329  60.653 60.424 1   148.491 ? 37  A 1 c
ATOM 451  H HG22 . VAL Axp A 29  ? 4.155  60.799 61.477 1   148.577 ? 37  A 1 c
ATOM 452  H HG23 . VAL Axp A 29  ? 5.589  60.322 61.953 1   148.415 ? 37  A 1 c
ATOM 453  N N    . ASN Axp A 30  ? 4.452  65.234 62.006 1   120.098 ? 38  A 1 .
ATOM 454  C CA   . ASN Axp A 30  ? 4.766  66.644 61.849 1   117.968 ? 38  A 1 .
ATOM 455  C C    . ASN Axp A 30  ? 4.294  67.441 63.065 1   137.871 ? 38  A 1 .
ATOM 456  O O    . ASN Axp A 30  ? 4.521  68.643 63.117 1   147.24  ? 38  A 1 .
ATOM 457  C CB   . ASN Axp A 30  ? 4.164  67.23  60.574 1   118.248 ? 38  A 1 .
ATOM 458  C CG   . ASN Axp A 30  ? 4.856  66.764 59.312 1   114.842 ? 38  A 1 .
ATOM 459  O OD1  . ASN Axp A 30  ? 5.327  67.585 58.518 1   112.932 ? 38  A 1 .
ATOM 460  N ND2  . ASN Axp A 30  ? 4.898  65.463 59.074 1   104.019 ? 38  A 1 .
ATOM 461  H H    . ASN Axp A 30  ? 3.786  64.88  61.491 1   123.754 ? 38  A 1 c
ATOM 462  H HA   . ASN Axp A 30  ? 5.741  66.733 61.78  1   121.937 ? 38  A 1 c
ATOM 463  H HB3  . ASN Axp A 30  ? 4.214  68.206 60.618 1   117.628 ? 38  A 1 c
ATOM 464  H HB2  . ASN Axp A 30  ? 3.219  66.982 60.527 1   117.478 ? 38  A 1 c
ATOM 465  H HD21 . ASN Axp A 30  ? 5.642  65.013 59.227 1   107.313 ? 38  A 1 c
ATOM 466  H HD22 . ASN Axp A 30  ? 4.174  65.043 58.782 1   107.634 ? 38  A 1 c
ATOM 467  N N    . ASN Axp A 31  ? 3.626  66.781 64.023 1   162.289 ? 39  A 1 .
ATOM 468  C CA   . ASN Axp A 31  ? 3.402  67.347 65.345 1   165.032 ? 39  A 1 .
ATOM 469  C C    . ASN Axp A 31  ? 4.719  67.409 66.115 1   169.771 ? 39  A 1 .
ATOM 470  O O    . ASN Axp A 31  ? 5.002  68.416 66.745 1   200.552 ? 39  A 1 .
ATOM 471  C CB   . ASN Axp A 31  ? 2.396  66.547 66.17  1   162.059 ? 39  A 1 .
ATOM 472  C CG   . ASN Axp A 31  ? 0.993  66.615 65.625 1   155.361 ? 39  A 1 .
ATOM 473  O OD1  . ASN Axp A 31  ? 0.662  67.539 64.874 1   164.183 ? 39  A 1 .
ATOM 474  N ND2  . ASN Axp A 31  ? 0.161  65.655 65.996 1   148.777 ? 39  A 1 .
ATOM 475  H H    . ASN Axp A 31  ? 3.27   65.96  63.837 1   155.962 ? 39  A 1 c
ATOM 476  H HA   . ASN Axp A 31  ? 3.051  68.26  65.241 1   164.732 ? 39  A 1 c
ATOM 477  H HB3  . ASN Axp A 31  ? 2.396  66.886 67.088 1   161.197 ? 39  A 1 c
ATOM 478  H HB2  . ASN Axp A 31  ? 2.681  65.611 66.197 1   161.16  ? 39  A 1 c
ATOM 479  H HD21 . ASN Axp A 31  ? -0.469 65.375 65.438 1   150.79  ? 39  A 1 c
ATOM 480  H HD22 . ASN Axp A 31  ? 0.234  65.293 66.803 1   150.847 ? 39  A 1 c
ATOM 481  N N    . TRP Axp A 32  ? 5.505  66.328 66.078 1   158.371 ? 40  A 1 .
ATOM 482  C CA   . TRP Axp A 32  ? 6.665  66.201 66.944 1   144.797 ? 40  A 1 .
ATOM 483  C C    . TRP Axp A 32  ? 7.767  67.124 66.447 1   139.656 ? 40  A 1 .
ATOM 484  O O    . TRP Axp A 32  ? 8.198  68.004 67.182 1   125.581 ? 40  A 1 .
ATOM 485  C CB   . TRP Axp A 32  ? 7.173  64.756 66.988 1   151.001 ? 40  A 1 .
ATOM 486  C CG   . TRP Axp A 32  ? 6.097  63.722 66.836 1   149.256 ? 40  A 1 .
ATOM 487  C CD1  . TRP Axp A 32  ? 4.859  63.743 67.399 1   148.226 ? 40  A 1 .
ATOM 488  C CD2  . TRP Axp A 32  ? 6.175  62.509 66.059 1   159.784 ? 40  A 1 .
ATOM 489  N NE1  . TRP Axp A 32  ? 4.155  62.631 67.027 1   160.75  ? 40  A 1 .
ATOM 490  C CE2  . TRP Axp A 32  ? 4.937  61.853 66.215 1   163.225 ? 40  A 1 .
ATOM 491  C CE3  . TRP Axp A 32  ? 7.165  61.909 65.271 1   174.671 ? 40  A 1 .
ATOM 492  C CZ2  . TRP Axp A 32  ? 4.669  60.632 65.607 1   174.179 ? 40  A 1 .
ATOM 493  C CZ3  . TRP Axp A 32  ? 6.897  60.697 64.672 1   185.54  ? 40  A 1 .
ATOM 494  C CH2  . TRP Axp A 32  ? 5.662  60.069 64.839 1   188.84  ? 40  A 1 .
ATOM 495  H H    . TRP Axp A 32  ? 5.324  65.662 65.479 1   157.602 ? 40  A 1 c
ATOM 496  H HA   . TRP Axp A 32  ? 6.407  66.474 67.866 1   147.695 ? 40  A 1 c
ATOM 497  H HB3  . TRP Axp A 32  ? 7.631  64.613 67.844 1   149.148 ? 40  A 1 c
ATOM 498  H HB2  . TRP Axp A 32  ? 7.833  64.631 66.273 1   149.05  ? 40  A 1 c
ATOM 499  H HD1  . TRP Axp A 32  ? 4.522  64.427 67.956 1   151.469 ? 40  A 1 c
ATOM 500  H HE1  . TRP Axp A 32  ? 3.34   62.442 67.278 1   158.292 ? 40  A 1 c
ATOM 501  H HE3  . TRP Axp A 32  ? 8.001  62.328 65.155 1   173.52  ? 40  A 1 c
ATOM 502  H HZ2  . TRP Axp A 32  ? 3.85   60.205 65.726 1   174.968 ? 40  A 1 c
ATOM 503  H HZ3  . TRP Axp A 32  ? 7.555  60.291 64.137 1   182.951 ? 40  A 1 c
ATOM 504  H HH2  . TRP Axp A 32  ? 5.505  59.247 64.418 1   182.761 ? 40  A 1 c
ATOM 505  N N    . THR Axp A 33  ? 8.184  66.922 65.188 1   143.606 ? 41  A 1 .
ATOM 506  C CA   . THR Axp A 33  ? 9.288  67.662 64.594 1   148.555 ? 41  A 1 .
ATOM 507  C C    . THR Axp A 33  ? 9.228  69.121 65.035 1   154.729 ? 41  A 1 .
ATOM 508  O O    . THR Axp A 33  ? 10.161 69.627 65.659 1   159.265 ? 41  A 1 .
ATOM 509  C CB   . THR Axp A 33  ? 9.263  67.577 63.065 1   143.004 ? 41  A 1 .
ATOM 510  O OG1  . THR Axp A 33  ? 7.946  67.288 62.618 1   125.188 ? 41  A 1 .
ATOM 511  C CG2  . THR Axp A 33  ? 10.168 66.496 62.512 1   147.659 ? 41  A 1 .
ATOM 512  H H    . THR Axp A 33  ? 7.757  66.296 64.677 1   143.916 ? 41  A 1 c
ATOM 513  H HA   . THR Axp A 33  ? 10.129 67.271 64.916 1   147.653 ? 41  A 1 c
ATOM 514  H HB   . THR Axp A 33  ? 9.547  68.441 62.685 1   141.858 ? 41  A 1 c
ATOM 515  H HG1  . THR Axp A 33  ? 7.545  66.51  62.889 0   114.26  ? 41  A 1 c
ATOM 516  H HG21 . THR Axp A 33  ? 10.126 66.504 61.541 1   146.111 ? 41  A 1 c
ATOM 517  H HG22 . THR Axp A 33  ? 9.876  65.629 62.84  1   146.227 ? 41  A 1 c
ATOM 518  H HG23 . THR Axp A 33  ? 11.082 66.659 62.798 1   146.227 ? 41  A 1 c
ATOM 519  N N    . GLY Axp A 34  ? 8.127  69.788 64.665 1   130.569 ? 42  A 1 .
ATOM 520  C CA   . GLY Axp A 34  ? 7.954  71.205 64.921 1   121.164 ? 42  A 1 .
ATOM 521  C C    . GLY Axp A 34  ? 8.102  71.53  66.403 1   118.118 ? 42  A 1 .
ATOM 522  O O    . GLY Axp A 34  ? 8.651  72.573 66.735 1   106.471 ? 42  A 1 .
ATOM 523  H H    . GLY Axp A 34  ? 7.457  69.337 64.237 1   133.882 ? 42  A 1 c
ATOM 524  H HA3  . GLY Axp A 34  ? 7.06   71.481 64.61  1   122.708 ? 42  A 1 c
ATOM 525  H HA2  . GLY Axp A 34  ? 8.625  71.71  64.404 1   122.948 ? 42  A 1 c
ATOM 526  N N    . GLN Axp A 35  ? 7.612  70.633 67.273 1   124.897 ? 43  A 1 .
ATOM 527  C CA   . GLN Axp A 35  ? 7.561  70.87  68.709 1   160.37  ? 43  A 1 .
ATOM 528  C C    . GLN Axp A 35  ? 8.953  70.753 69.319 1   172.997 ? 43  A 1 .
ATOM 529  O O    . GLN Axp A 35  ? 9.282  71.499 70.237 1   211.783 ? 43  A 1 .
ATOM 530  C CB   . GLN Axp A 35  ? 6.598  69.928 69.437 1   174.07  ? 43  A 1 .
ATOM 531  C CG   . GLN Axp A 35  ? 5.248  70.543 69.803 1   177.759 ? 43  A 1 .
ATOM 532  C CD   . GLN Axp A 35  ? 4.347  70.815 68.616 1   178.905 ? 43  A 1 .
ATOM 533  O OE1  . GLN Axp A 35  ? 3.351  70.119 68.396 1   188.744 ? 43  A 1 .
ATOM 534  N NE2  . GLN Axp A 35  ? 4.683  71.829 67.833 1   173.539 ? 43  A 1 .
ATOM 535  H H    . GLN Axp A 35  ? 7.282  69.844 66.953 1   131.096 ? 43  A 1 c
ATOM 536  H HA   . GLN Axp A 35  ? 7.242  71.797 68.851 1   156.862 ? 43  A 1 c
ATOM 537  H HB3  . GLN Axp A 35  ? 7.031  69.616 70.259 1   171.523 ? 43  A 1 c
ATOM 538  H HB2  . GLN Axp A 35  ? 6.442  69.143 68.873 1   170.862 ? 43  A 1 c
ATOM 539  H HG3  . GLN Axp A 35  ? 5.399  71.388 70.278 1   177.038 ? 43  A 1 c
ATOM 540  H HG2  . GLN Axp A 35  ? 4.778  69.939 70.417 1   177.152 ? 43  A 1 c
ATOM 541  H HE21 . GLN Axp A 35  ? 4.579  71.763 66.954 1   175.173 ? 43  A 1 c
ATOM 542  H HE22 . GLN Axp A 35  ? 5.011  72.572 68.188 1   175.173 ? 43  A 1 c
ATOM 543  N N    . VAL Axp A 36  ? 9.756  69.816 68.809 1   164.351 ? 44  A 1 .
ATOM 544  C CA   . VAL Axp A 36  ? 11.133 69.665 69.254 1   162.625 ? 44  A 1 .
ATOM 545  C C    . VAL Axp A 36  ? 11.903 70.966 69.024 1   156.289 ? 44  A 1 .
ATOM 546  O O    . VAL Axp A 36  ? 12.715 71.352 69.859 1   139.451 ? 44  A 1 .
ATOM 547  C CB   . VAL Axp A 36  ? 11.824 68.495 68.534 1   150.426 ? 44  A 1 .
ATOM 548  C CG1  . VAL Axp A 36  ? 13.303 68.423 68.883 1   136.181 ? 44  A 1 .
ATOM 549  C CG2  . VAL Axp A 36  ? 11.123 67.178 68.824 1   149.732 ? 44  A 1 .
ATOM 550  H H    . VAL Axp A 36  ? 9.437  69.254 68.163 1   165.263 ? 44  A 1 c
ATOM 551  H HA   . VAL Axp A 36  ? 11.125 69.476 70.212 1   159.484 ? 44  A 1 c
ATOM 552  H HB   . VAL Axp A 36  ? 11.753 68.667 67.566 1   149.722 ? 44  A 1 c
ATOM 553  H HG11 . VAL Axp A 36  ? 13.43  68.67  69.814 1   140.399 ? 44  A 1 c
ATOM 554  H HG12 . VAL Axp A 36  ? 13.801 69.036 68.316 1   140.37  ? 44  A 1 c
ATOM 555  H HG13 . VAL Axp A 36  ? 13.628 67.518 68.742 1   140.407 ? 44  A 1 c
ATOM 556  H HG21 . VAL Axp A 36  ? 11.683 66.439 68.533 1   149.766 ? 44  A 1 c
ATOM 557  H HG22 . VAL Axp A 36  ? 10.278 67.147 68.347 1   149.848 ? 44  A 1 c
ATOM 558  H HG23 . VAL Axp A 36  ? 10.957 67.101 69.778 1   149.886 ? 44  A 1 c
ATOM 559  N N    . VAL Axp A 37  ? 11.655 71.616 67.879 1   147.764 ? 45  A 1 .
ATOM 560  C CA   . VAL Axp A 37  ? 12.296 72.876 67.539 1   132.373 ? 45  A 1 .
ATOM 561  C C    . VAL Axp A 37  ? 11.787 73.982 68.455 1   120.943 ? 45  A 1 .
ATOM 562  O O    . VAL Axp A 37  ? 12.553 74.863 68.815 1   123.067 ? 45  A 1 .
ATOM 563  C CB   . VAL Axp A 37  ? 12.073 73.292 66.074 1   146.436 ? 45  A 1 .
ATOM 564  C CG1  . VAL Axp A 37  ? 12.855 74.565 65.737 1   140.772 ? 45  A 1 .
ATOM 565  C CG2  . VAL Axp A 37  ? 12.391 72.152 65.109 1   157.407 ? 45  A 1 .
ATOM 566  H H    . VAL Axp A 37  ? 11.06  71.256 67.286 1   146.361 ? 45  A 1 c
ATOM 567  H HA   . VAL Axp A 37  ? 13.257 72.776 67.686 1   135.627 ? 45  A 1 c
ATOM 568  H HB   . VAL Axp A 37  ? 11.115 73.5   65.977 1   144.465 ? 45  A 1 c
ATOM 569  H HG11 . VAL Axp A 37  ? 13.564 74.696 66.386 1   141.834 ? 45  A 1 c
ATOM 570  H HG12 . VAL Axp A 37  ? 12.254 75.328 65.76  1   142.283 ? 45  A 1 c
ATOM 571  H HG13 . VAL Axp A 37  ? 13.241 74.485 64.851 1   142.161 ? 45  A 1 c
ATOM 572  H HG21 . VAL Axp A 37  ? 12.737 72.515 64.279 1   153.863 ? 45  A 1 c
ATOM 573  H HG22 . VAL Axp A 37  ? 11.582 71.646 64.927 1   154.044 ? 45  A 1 c
ATOM 574  H HG23 . VAL Axp A 37  ? 13.056 71.564 65.506 1   153.916 ? 45  A 1 c
ATOM 575  N N    . GLU Axp A 38  ? 10.494 73.944 68.791 1   119.517 ? 46  A 1 .
ATOM 576  C CA   . GLU Axp A 38  ? 9.849  75.013 69.539 1   132.819 ? 46  A 1 .
ATOM 577  C C    . GLU Axp A 38  ? 10.408 75.088 70.963 1   138.762 ? 46  A 1 .
ATOM 578  O O    . GLU Axp A 38  ? 10.833 76.158 71.398 1   143.191 ? 46  A 1 .
ATOM 579  C CB   . GLU Axp A 38  ? 8.33   74.815 69.503 1   130.373 ? 46  A 1 .
ATOM 580  C CG   . GLU Axp A 38  ? 7.509  75.986 70.045 1   132.056 ? 46  A 1 .
ATOM 581  C CD   . GLU Axp A 38  ? 7.358  76.048 71.56  1   147.523 ? 46  A 1 .
ATOM 582  O OE1  . GLU Axp A 38  ? 7.073  74.985 72.155 1   156.66  ? 46  A 1 .
ATOM 583  O OE2  . GLU Axp A 38  ? 7.506  77.147 72.15  1   152.249 ? 46  A 1 .
ATOM 584  H H    . GLU Axp A 38  ? 9.989  73.227 68.534 1   123.263 ? 46  A 1 c
ATOM 585  H HA   . GLU Axp A 38  ? 10.054 75.869 69.083 1   130.69  ? 46  A 1 c
ATOM 586  H HB3  . GLU Axp A 38  ? 8.108  74.011 70.016 1   131.439 ? 46  A 1 c
ATOM 587  H HB2  . GLU Axp A 38  ? 8.06   74.657 68.574 1   131.335 ? 46  A 1 c
ATOM 588  H HG3  . GLU Axp A 38  ? 6.612  75.949 69.65  1   135.084 ? 46  A 1 c
ATOM 589  H HG2  . GLU Axp A 38  ? 7.921  76.824 69.745 1   135.163 ? 46  A 1 c
ATOM 590  N N    . ASN Axp A 39  ? 10.412 73.956 71.68  1   126.451 ? 47  A 1 .
ATOM 591  C CA   . ASN Axp A 39  ? 10.705 73.958 73.107 1   146.881 ? 47  A 1 .
ATOM 592  C C    . ASN Axp A 39  ? 12.188 74.244 73.359 1   152.713 ? 47  A 1 .
ATOM 593  O O    . ASN Axp A 39  ? 12.535 74.868 74.362 1   175.787 ? 47  A 1 .
ATOM 594  C CB   . ASN Axp A 39  ? 10.284 72.652 73.78  1   155.449 ? 47  A 1 .
ATOM 595  C CG   . ASN Axp A 39  ? 11.384 71.614 73.772 1   159.735 ? 47  A 1 .
ATOM 596  O OD1  . ASN Axp A 39  ? 11.95  71.322 72.712 1   194.682 ? 47  A 1 .
ATOM 597  N ND2  . ASN Axp A 39  ? 11.704 71.057 74.934 1   125.894 ? 47  A 1 .
ATOM 598  H H    . ASN Axp A 39  ? 10.228 73.161 71.268 1   133.894 ? 47  A 1 c
ATOM 599  H HA   . ASN Axp A 39  ? 10.181 74.68  73.522 1   145.152 ? 47  A 1 c
ATOM 600  H HB3  . ASN Axp A 39  ? 9.501  72.292 73.317 1   154.24  ? 47  A 1 c
ATOM 601  H HB2  . ASN Axp A 39  ? 10.027 72.839 74.705 1   154.202 ? 47  A 1 c
ATOM 602  H HD21 . ASN Axp A 39  ? 12.556 70.923 75.141 1   135.485 ? 47  A 1 c
ATOM 603  H HD22 . ASN Axp A 39  ? 11.065 70.82  75.502 1   135.485 ? 47  A 1 c
ATOM 604  N N    . CYS Axp A 40  ? 13.061 73.762 72.463 1   136.572 ? 48  A 1 .
ATOM 605  C CA   . CYS Axp A 40  ? 14.49  74.008 72.577 1   130.853 ? 48  A 1 .
ATOM 606  C C    . CYS Axp A 40  ? 14.812 75.474 72.309 1   148.873 ? 48  A 1 .
ATOM 607  O O    . CYS Axp A 40  ? 15.9   75.921 72.665 1   156.817 ? 48  A 1 .
ATOM 608  C CB   . CYS Axp A 40  ? 15.321 73.147 71.63  1   127.154 ? 48  A 1 .
ATOM 609  S SG   . CYS Axp A 40  ? 16.254 71.841 72.475 1   142.762 ? 48  A 1 .
ATOM 610  H H    . CYS Axp A 40  ? 12.755 73.26  71.763 1   138.819 ? 48  A 1 c
ATOM 611  H HA   . CYS Axp A 40  ? 14.76  73.797 73.507 1   134.722 ? 48  A 1 c
ATOM 612  H HB3  . CYS Axp A 40  ? 15.957 73.719 71.146 1   131.131 ? 48  A 1 c
ATOM 613  H HB2  . CYS Axp A 40  ? 14.728 72.728 70.969 1   131.05  ? 48  A 1 c
ATOM 614  H HG   . CYS Axp A 40  ? 16.74  71.304 71.378 0   126.24  ? 48  A 1 c
ATOM 615  N N    . LEU Axp A 41  ? 13.866 76.205 71.694 1   148.438 ? 49  A 1 .
ATOM 616  C CA   . LEU Axp A 41  ? 14.067 77.606 71.353 1   141.95  ? 49  A 1 .
ATOM 617  C C    . LEU Axp A 41  ? 13.79  78.497 72.564 1   155.752 ? 49  A 1 .
ATOM 618  O O    . LEU Axp A 41  ? 14.551 79.428 72.834 1   190.208 ? 49  A 1 .
ATOM 619  C CB   . LEU Axp A 41  ? 13.21  78.016 70.156 1   121.732 ? 49  A 1 .
ATOM 620  C CG   . LEU Axp A 41  ? 13.971 78.737 69.033 1   127.431 ? 49  A 1 .
ATOM 621  C CD1  . LEU Axp A 41  ? 13.152 78.751 67.749 1   129.703 ? 49  A 1 .
ATOM 622  C CD2  . LEU Axp A 41  ? 14.439 80.147 69.353 1   124.317 ? 49  A 1 .
ATOM 623  H H    . LEU Axp A 41  ? 13.074 75.812 71.467 1   146.483 ? 49  A 1 c
ATOM 624  H HA   . LEU Axp A 41  ? 15.02  77.722 71.109 1   141.551 ? 49  A 1 c
ATOM 625  H HB3  . LEU Axp A 41  ? 12.49  78.608 70.476 1   127.591 ? 49  A 1 c
ATOM 626  H HB2  . LEU Axp A 41  ? 12.792 77.208 69.78  1   127.659 ? 49  A 1 c
ATOM 627  H HG   . LEU Axp A 41  ? 14.787 78.206 68.844 1   126.272 ? 49  A 1 c
ATOM 628  H HD11 . LEU Axp A 41  ? 12.999 77.839 67.452 1   129.022 ? 49  A 1 c
ATOM 629  H HD12 . LEU Axp A 41  ? 13.635 79.239 67.061 1   129.001 ? 49  A 1 c
ATOM 630  H HD13 . LEU Axp A 41  ? 12.298 79.185 67.913 1   129.022 ? 49  A 1 c
ATOM 631  H HD21 . LEU Axp A 41  ? 14.64  80.215 70.301 1   125.762 ? 49  A 1 c
ATOM 632  H HD22 . LEU Axp A 41  ? 13.738 80.782 69.126 1   125.453 ? 49  A 1 c
ATOM 633  H HD23 . LEU Axp A 41  ? 15.238 80.348 68.838 1   125.464 ? 49  A 1 c
ATOM 634  N N    . THR Axp A 42  ? 12.713 78.193 73.302 1   157.299 ? 50  A 1 .
ATOM 635  C CA   . THR Axp A 42  ? 12.261 79.033 74.405 1   151.612 ? 50  A 1 .
ATOM 636  C C    . THR Axp A 42  ? 13.303 79.095 75.528 1   158.041 ? 50  A 1 .
ATOM 637  O O    . THR Axp A 42  ? 13.383 80.106 76.23  1   160.211 ? 50  A 1 .
ATOM 638  C CB   . THR Axp A 42  ? 10.901 78.549 74.924 1   135.994 ? 50  A 1 .
ATOM 639  O OG1  . THR Axp A 42  ? 11.016 77.158 75.213 1   110.777 ? 50  A 1 .
ATOM 640  C CG2  . THR Axp A 42  ? 9.77   78.794 73.937 1   128.113 ? 50  A 1 .
ATOM 641  H H    . THR Axp A 42  ? 12.241 77.435 73.109 1   155.343 ? 50  A 1 c
ATOM 642  H HA   . THR Axp A 42  ? 12.141 79.942 74.054 1   150.821 ? 50  A 1 c
ATOM 643  H HB   . THR Axp A 42  ? 10.69  79.031 75.759 1   131.913 ? 50  A 1 c
ATOM 644  H HG1  . THR Axp A 42  ? 11.266 76.69  74.461 0   71.68   ? 50  A 1 c
ATOM 645  H HG21 . THR Axp A 42  ? 8.935  78.465 74.311 1   130.39  ? 50  A 1 c
ATOM 646  H HG22 . THR Axp A 42  ? 9.957  78.327 73.105 1   130.389 ? 50  A 1 c
ATOM 647  H HG23 . THR Axp A 42  ? 9.692  79.747 73.762 1   130.39  ? 50  A 1 c
ATOM 648  N N    . VAL Axp A 43  ? 14.115 78.037 75.675 1   163.663 ? 51  A 1 .
ATOM 649  C CA   . VAL Axp A 43  ? 15.002 77.881 76.821 1   171.113 ? 51  A 1 .
ATOM 650  C C    . VAL Axp A 43  ? 16.387 78.468 76.545 1   169.88  ? 51  A 1 .
ATOM 651  O O    . VAL Axp A 43  ? 17.325 78.196 77.29  1   197.574 ? 51  A 1 .
ATOM 652  C CB   . VAL Axp A 43  ? 15.117 76.408 77.26  1   161.989 ? 51  A 1 .
ATOM 653  C CG1  . VAL Axp A 43  ? 13.975 76.012 78.184 1   168.549 ? 51  A 1 .
ATOM 654  C CG2  . VAL Axp A 43  ? 15.22  75.458 76.075 1   160.992 ? 51  A 1 .
ATOM 655  H H    . VAL Axp A 43  ? 14.114 77.388 75.032 1   163.697 ? 51  A 1 c
ATOM 656  H HA   . VAL Axp A 43  ? 14.612 78.38  77.565 1   167.625 ? 51  A 1 c
ATOM 657  H HB   . VAL Axp A 43  ? 15.95  76.322 77.779 1   164.889 ? 51  A 1 c
ATOM 658  H HG11 . VAL Axp A 43  ? 13.126 76.172 77.738 1   166.585 ? 51  A 1 c
ATOM 659  H HG12 . VAL Axp A 43  ? 14.018 76.541 78.998 1   166.585 ? 51  A 1 c
ATOM 660  H HG13 . VAL Axp A 43  ? 14.05  75.069 78.407 1   166.585 ? 51  A 1 c
ATOM 661  H HG21 . VAL Axp A 43  ? 15.665 74.64  76.354 1   160.83  ? 51  A 1 c
ATOM 662  H HG22 . VAL Axp A 43  ? 15.734 75.877 75.364 1   161.301 ? 51  A 1 c
ATOM 663  H HG23 . VAL Axp A 43  ? 14.332 75.246 75.751 1   161.347 ? 51  A 1 c
ATOM 664  N N    . LEU Axp A 44  ? 16.521 79.269 75.483 1   155.282 ? 52  A 1 .
ATOM 665  C CA   . LEU Axp A 44  ? 17.727 80.054 75.281 1   151.673 ? 52  A 1 .
ATOM 666  C C    . LEU Axp A 44  ? 17.376 81.516 75.024 1   161.118 ? 52  A 1 .
ATOM 667  O O    . LEU Axp A 44  ? 18.257 82.368 75.115 1   159.641 ? 52  A 1 .
ATOM 668  C CB   . LEU Axp A 44  ? 18.537 79.447 74.138 1   153.099 ? 52  A 1 .
ATOM 669  C CG   . LEU Axp A 44  ? 19.033 78.012 74.367 1   137.875 ? 52  A 1 .
ATOM 670  C CD1  . LEU Axp A 44  ? 18.83  77.157 73.118 1   119.329 ? 52  A 1 .
ATOM 671  C CD2  . LEU Axp A 44  ? 20.499 77.995 74.818 1   126.828 ? 52  A 1 .
ATOM 672  H H    . LEU Axp A 44  ? 15.87  79.284 74.843 1   158.172 ? 52  A 1 c
ATOM 673  H HA   . LEU Axp A 44  ? 18.267 80.013 76.11  1   154.668 ? 52  A 1 c
ATOM 674  H HB3  . LEU Axp A 44  ? 19.318 80.024 73.976 1   148.804 ? 52  A 1 c
ATOM 675  H HB2  . LEU Axp A 44  ? 17.981 79.463 73.325 1   148.731 ? 52  A 1 c
ATOM 676  H HG   . LEU Axp A 44  ? 18.493 77.611 75.093 1   135.334 ? 52  A 1 c
ATOM 677  H HD11 . LEU Axp A 44  ? 17.986 77.388 72.697 1   125.013 ? 52  A 1 c
ATOM 678  H HD12 . LEU Axp A 44  ? 18.821 76.217 73.366 1   124.634 ? 52  A 1 c
ATOM 679  H HD13 . LEU Axp A 44  ? 19.557 77.319 72.493 1   124.644 ? 52  A 1 c
ATOM 680  H HD21 . LEU Axp A 44  ? 20.603 78.555 75.606 1   129.968 ? 52  A 1 c
ATOM 681  H HD22 . LEU Axp A 44  ? 21.063 78.335 74.103 1   129.968 ? 52  A 1 c
ATOM 682  H HD23 . LEU Axp A 44  ? 20.763 77.084 75.032 1   129.968 ? 52  A 1 c
ATOM 683  N N    . THR Axp A 45  ? 16.101 81.783 74.693 1   174.509 ? 53  A 1 .
ATOM 684  C CA   . THR Axp A 45  ? 15.589 83.137 74.527 1   174.497 ? 53  A 1 .
ATOM 685  C C    . THR Axp A 45  ? 14.982 83.633 75.84  1   181.503 ? 53  A 1 .
ATOM 686  O O    . THR Axp A 45  ? 14.917 84.84  76.076 1   190.83  ? 53  A 1 .
ATOM 687  C CB   . THR Axp A 45  ? 14.57  83.185 73.39  1   153.037 ? 53  A 1 .
ATOM 688  O OG1  . THR Axp A 45  ? 13.513 82.297 73.746 1   150.14  ? 53  A 1 .
ATOM 689  C CG2  . THR Axp A 45  ? 15.185 82.8   72.059 1   139.997 ? 53  A 1 .
ATOM 690  H H    . THR Axp A 45  ? 15.526 81.089 74.546 1   170.719 ? 53  A 1 c
ATOM 691  H HA   . THR Axp A 45  ? 16.34  83.723 74.291 1   171.244 ? 53  A 1 c
ATOM 692  H HB   . THR Axp A 45  ? 14.21  84.101 73.317 1   153.603 ? 53  A 1 c
ATOM 693  H HG1  . THR Axp A 45  ? 13.759 81.48  73.829 0   89.65   ? 53  A 1 c
ATOM 694  H HG21 . THR Axp A 45  ? 14.738 83.281 71.347 1   144.106 ? 53  A 1 c
ATOM 695  H HG22 . THR Axp A 45  ? 15.078 81.845 71.918 1   144.033 ? 53  A 1 c
ATOM 696  H HG23 . THR Axp A 45  ? 16.13  83.019 72.063 1   144.302 ? 53  A 1 c
ATOM 697  N N    . LYS Axp A 46  ? 14.529 82.71  76.695 1   164.489 ? 54  A 1 .
ATOM 698  C CA   . LYS Axp A 46  ? 14.213 83.066 78.068 1   195.663 ? 54  A 1 .
ATOM 699  C C    . LYS Axp A 46  ? 15.461 83.644 78.744 1   223.723 ? 54  A 1 .
ATOM 700  O O    . LYS Axp A 46  ? 15.363 84.582 79.539 1   244.442 ? 54  A 1 .
ATOM 701  C CB   . LYS Axp A 46  ? 13.69  81.858 78.856 1   197.814 ? 54  A 1 .
ATOM 702  C CG   . LYS Axp A 46  ? 13.003 82.201 80.181 1   194.694 ? 54  A 1 .
ATOM 703  C CD   . LYS Axp A 46  ? 13.233 81.191 81.302 1   187.881 ? 54  A 1 .
ATOM 704  C CE   . LYS Axp A 46  ? 12.209 81.224 82.39  1   174.162 ? 54  A 1 .
ATOM 705  N NZ   . LYS Axp A 46  ? 11.159 80.225 82.169 1   167.863 ? 54  A 1 .
ATOM 706  H H    . LYS Axp A 46  ? 14.401 81.849 76.417 1   175.35  ? 54  A 1 c
ATOM 707  H HA   . LYS Axp A 46  ? 13.509 83.764 78.054 1   194.152 ? 54  A 1 c
ATOM 708  H HB3  . LYS Axp A 46  ? 14.441 81.255 79.042 1   196.621 ? 54  A 1 c
ATOM 709  H HB2  . LYS Axp A 46  ? 13.05  81.372 78.295 1   196.229 ? 54  A 1 c
ATOM 710  H HG3  . LYS Axp A 46  ? 12.037 82.276 80.017 1   193.894 ? 54  A 1 c
ATOM 711  H HG2  . LYS Axp A 46  ? 13.32  83.081 80.478 1   194.188 ? 54  A 1 c
ATOM 712  H HD3  . LYS Axp A 46  ? 14.117 81.358 81.695 1   186.052 ? 54  A 1 c
ATOM 713  H HD2  . LYS Axp A 46  ? 13.251 80.29  80.912 1   185.871 ? 54  A 1 c
ATOM 714  H HE3  . LYS Axp A 46  ? 11.802 82.108 82.431 1   175.773 ? 54  A 1 c
ATOM 715  H HE2  . LYS Axp A 46  ? 12.639 81.048 83.246 1   175.695 ? 54  A 1 c
ATOM 716  H HZ1  . LYS Axp A 46  ? 11.504 79.392 82.262 1   169.904 ? 54  A 1 c
ATOM 717  H HZ2  . LYS Axp A 46  ? 10.821 80.314 81.333 1   169.901 ? 54  A 1 c
ATOM 718  H HZ3  . LYS Axp A 46  ? 10.494 80.34  82.773 1   169.824 ? 54  A 1 c
ATOM 719  N N    . GLU Axp A 47  ? 16.637 83.082 78.416 1   207.018 ? 55  A 1 .
ATOM 720  C CA   . GLU Axp A 47  ? 17.903 83.54  78.974 1   183.55  ? 55  A 1 .
ATOM 721  C C    . GLU Axp A 47  ? 18.278 84.921 78.431 1   179.576 ? 55  A 1 .
ATOM 722  O O    . GLU Axp A 47  ? 19.231 85.531 78.909 1   160.804 ? 55  A 1 .
ATOM 723  C CB   . GLU Axp A 47  ? 19.044 82.572 78.651 1   170.73  ? 55  A 1 .
ATOM 724  C CG   . GLU Axp A 47  ? 18.815 81.143 79.134 1   162.205 ? 55  A 1 .
ATOM 725  C CD   . GLU Axp A 47  ? 20.058 80.27  79.048 1   160.416 ? 55  A 1 .
ATOM 726  O OE1  . GLU Axp A 47  ? 21.071 80.539 79.733 1   142.506 ? 55  A 1 .
ATOM 727  O OE2  . GLU Axp A 47  ? 20.007 79.297 78.277 1   171.559 ? 55  A 1 .
ATOM 728  H H    . GLU Axp A 47  ? 16.647 82.384 77.826 1   203.86  ? 55  A 1 c
ATOM 729  H HA   . GLU Axp A 47  ? 17.805 83.601 79.958 1   185.16  ? 55  A 1 c
ATOM 730  H HB3  . GLU Axp A 47  ? 19.863 82.909 79.066 1   171.423 ? 55  A 1 c
ATOM 731  H HB2  . GLU Axp A 47  ? 19.183 82.561 77.681 1   171.564 ? 55  A 1 c
ATOM 732  H HG3  . GLU Axp A 47  ? 18.105 80.731 78.597 1   163.977 ? 55  A 1 c
ATOM 733  H HG2  . GLU Axp A 47  ? 18.512 81.164 80.067 1   163.741 ? 55  A 1 c
ATOM 734  N N    . GLN Axp A 48  ? 17.52  85.404 77.439 1   181.606 ? 56  A 1 .
ATOM 735  C CA   . GLN Axp A 48  ? 17.881 86.561 76.637 1   198.453 ? 56  A 1 .
ATOM 736  C C    . GLN Axp A 48  ? 19.348 86.95  76.834 1   209.487 ? 56  A 1 .
ATOM 737  O O    . GLN Axp A 48  ? 19.679 87.808 77.654 1   213.854 ? 56  A 1 .
ATOM 738  C CB   . GLN Axp A 48  ? 16.921 87.717 76.897 1   183.98  ? 56  A 1 .
ATOM 739  C CG   . GLN Axp A 48  ? 16.744 88.595 75.662 1   181.216 ? 56  A 1 .
ATOM 740  C CD   . GLN Axp A 48  ? 15.731 89.702 75.839 1   172.22  ? 56  A 1 .
ATOM 741  O OE1  . GLN Axp A 48  ? 14.749 89.554 76.573 1   183.728 ? 56  A 1 .
ATOM 742  N NE2  . GLN Axp A 48  ? 15.968 90.824 75.172 1   148.481 ? 56  A 1 .
ATOM 743  H H    . GLN Axp A 48  ? 16.73  84.989 77.251 1   185.236 ? 56  A 1 c
ATOM 744  H HA   . GLN Axp A 48  ? 17.767 86.305 75.687 1   194.04  ? 56  A 1 c
ATOM 745  H HB3  . GLN Axp A 48  ? 17.258 88.262 77.637 1   186.793 ? 56  A 1 c
ATOM 746  H HB2  . GLN Axp A 48  ? 16.05  87.354 77.162 1   186.544 ? 56  A 1 c
ATOM 747  H HG3  . GLN Axp A 48  ? 16.463 88.036 74.907 1   179.767 ? 56  A 1 c
ATOM 748  H HG2  . GLN Axp A 48  ? 17.608 88.997 75.427 1   179.523 ? 56  A 1 c
ATOM 749  H HE21 . GLN Axp A 48  ? 15.811 91.608 75.557 1   155.458 ? 56  A 1 c
ATOM 750  H HE22 . GLN Axp A 48  ? 16.283 90.789 74.344 1   155.581 ? 56  A 1 c
ATOM 751  N N    . LYS Axp A 49  ? 20.211 86.299 76.045 1   191.552 ? 57  A 1 .
ATOM 752  C CA   . LYS Axp A 49  ? 21.608 86.674 75.89  1   171.188 ? 57  A 1 .
ATOM 753  C C    . LYS Axp A 49  ? 21.79  87.327 74.518 1   166.939 ? 57  A 1 .
ATOM 754  O O    . LYS Axp A 49  ? 20.869 87.335 73.701 1   162.288 ? 57  A 1 .
ATOM 755  C CB   . LYS Axp A 49  ? 22.501 85.451 76.143 1   160.808 ? 57  A 1 .
ATOM 756  C CG   . LYS Axp A 49  ? 21.886 84.083 75.899 1   165.26  ? 57  A 1 .
ATOM 757  C CD   . LYS Axp A 49  ? 22.697 82.963 76.534 1   162.563 ? 57  A 1 .
ATOM 758  C CE   . LYS Axp A 49  ? 22.719 83.073 78.029 1   164.984 ? 57  A 1 .
ATOM 759  N NZ   . LYS Axp A 49  ? 23.229 81.861 78.668 1   167.614 ? 57  A 1 .
ATOM 760  H H    . LYS Axp A 49  ? 19.895 85.6   75.548 1   190.351 ? 57  A 1 c
ATOM 761  H HA   . LYS Axp A 49  ? 21.825 87.35  76.581 1   172.609 ? 57  A 1 c
ATOM 762  H HB3  . LYS Axp A 49  ? 22.807 85.49  77.073 1   164.076 ? 57  A 1 c
ATOM 763  H HB2  . LYS Axp A 49  ? 23.293 85.522 75.574 1   163.791 ? 57  A 1 c
ATOM 764  H HG3  . LYS Axp A 49  ? 21.822 83.931 74.931 1   163.389 ? 57  A 1 c
ATOM 765  H HG2  . LYS Axp A 49  ? 20.98  84.068 76.273 1   163.961 ? 57  A 1 c
ATOM 766  H HD3  . LYS Axp A 49  ? 23.618 82.998 76.195 1   163.732 ? 57  A 1 c
ATOM 767  H HD2  . LYS Axp A 49  ? 22.308 82.099 76.28  1   163.747 ? 57  A 1 c
ATOM 768  H HE3  . LYS Axp A 49  ? 21.821 83.252 78.355 1   165.109 ? 57  A 1 c
ATOM 769  H HE2  . LYS Axp A 49  ? 23.288 83.819 78.292 1   165.033 ? 57  A 1 c
ATOM 770  H HZ1  . LYS Axp A 49  ? 24.103 81.749 78.459 1   166.783 ? 57  A 1 c
ATOM 771  H HZ2  . LYS Axp A 49  ? 22.76  81.141 78.381 1   166.726 ? 57  A 1 c
ATOM 772  H HZ3  . LYS Axp A 49  ? 23.145 81.931 79.567 1   166.783 ? 57  A 1 c
ATOM 773  N N    . PRO Axp A 50  ? 22.99  87.866 74.183 1   160.025 ? 58  A 1 .
ATOM 774  C CA   . PRO Axp A 50  ? 23.176 88.567 72.915 1   155.883 ? 58  A 1 .
ATOM 775  C C    . PRO Axp A 50  ? 23.289 87.663 71.681 1   150.068 ? 58  A 1 .
ATOM 776  O O    . PRO Axp A 50  ? 23.892 88.064 70.686 1   121.298 ? 58  A 1 .
ATOM 777  C CB   . PRO Axp A 50  ? 24.47  89.341 73.161 1   157.367 ? 58  A 1 .
ATOM 778  C CG   . PRO Axp A 50  ? 25.247 88.407 74.079 1   140.608 ? 58  A 1 .
ATOM 779  C CD   . PRO Axp A 50  ? 24.224 87.818 74.991 1   139.493 ? 58  A 1 .
ATOM 780  H HA   . PRO Axp A 50  ? 22.44  89.202 72.785 1   155.955 ? 58  A 1 c
ATOM 781  H HB3  . PRO Axp A 50  ? 24.29  90.195 73.599 1   153.047 ? 58  A 1 c
ATOM 782  H HB2  . PRO Axp A 50  ? 24.954 89.5   72.328 1   152.851 ? 58  A 1 c
ATOM 783  H HG3  . PRO Axp A 50  ? 25.919 88.901 74.589 1   143.937 ? 58  A 1 c
ATOM 784  H HG2  . PRO Axp A 50  ? 25.694 87.706 73.564 1   143.937 ? 58  A 1 c
ATOM 785  H HD3  . PRO Axp A 50  ? 24.454 86.902 75.224 1   144.51  ? 58  A 1 c
ATOM 786  H HD2  . PRO Axp A 50  ? 24.126 88.346 75.807 1   144.314 ? 58  A 1 c
ATOM 787  N N    . TYR Axp A 51  ? 22.701 86.455 71.743 1   147.926 ? 59  A 1 .
ATOM 788  C CA   . TYR Axp A 51  ? 22.787 85.472 70.67  1   120.058 ? 59  A 1 .
ATOM 789  C C    . TYR Axp A 51  ? 21.513 85.459 69.82  1   114.339 ? 59  A 1 .
ATOM 790  O O    . TYR Axp A 51  ? 20.431 85.78  70.309 1   97.402  ? 59  A 1 .
ATOM 791  C CB   . TYR Axp A 51  ? 22.992 84.06  71.225 1   108.477 ? 59  A 1 .
ATOM 792  C CG   . TYR Axp A 51  ? 24.363 83.799 71.828 1   117.026 ? 59  A 1 .
ATOM 793  C CD1  . TYR Axp A 51  ? 25.483 83.656 71.017 1   114.749 ? 59  A 1 .
ATOM 794  C CD2  . TYR Axp A 51  ? 24.527 83.663 73.207 1   129.779 ? 59  A 1 .
ATOM 795  C CE1  . TYR Axp A 51  ? 26.729 83.395 71.563 1   127.831 ? 59  A 1 .
ATOM 796  C CE2  . TYR Axp A 51  ? 25.768 83.396 73.763 1   125.149 ? 59  A 1 .
ATOM 797  C CZ   . TYR Axp A 51  ? 26.874 83.277 72.94  1   131.257 ? 59  A 1 .
ATOM 798  O OH   . TYR Axp A 51  ? 28.093 83.019 73.516 1   112.426 ? 59  A 1 .
ATOM 799  H H    . TYR Axp A 51  ? 22.218 86.236 72.486 1   141.949 ? 59  A 1 c
ATOM 800  H HA   . TYR Axp A 51  ? 23.556 85.701 70.092 1   121.73  ? 59  A 1 c
ATOM 801  H HB3  . TYR Axp A 51  ? 22.842 83.416 70.497 1   112.988 ? 59  A 1 c
ATOM 802  H HB2  . TYR Axp A 51  ? 22.309 83.895 71.912 1   113.116 ? 59  A 1 c
ATOM 803  H HD1  . TYR Axp A 51  ? 25.395 83.731 70.084 1   118.394 ? 59  A 1 c
ATOM 804  H HD2  . TYR Axp A 51  ? 23.777 83.748 73.772 1   125.83  ? 59  A 1 c
ATOM 805  H HE1  . TYR Axp A 51  ? 27.481 83.308 71.002 1   125.222 ? 59  A 1 c
ATOM 806  H HE2  . TYR Axp A 51  ? 25.863 83.321 74.697 1   127.336 ? 59  A 1 c
ATOM 807  H HH   . TYR Axp A 51  ? 28.774 83.062 72.738 0   136.32  ? 59  A 1 c
ATOM 808  N N    . LYS Axp A 52  ? 21.655 85.086 68.535 1   106.266 ? 60  A 1 .
ATOM 809  C CA   . LYS Axp A 52  ? 20.534 84.61  67.738 1   98.516  ? 60  A 1 .
ATOM 810  C C    . LYS Axp A 52  ? 20.689 83.099 67.621 1   103.306 ? 60  A 1 .
ATOM 811  O O    . LYS Axp A 52  ? 21.774 82.565 67.85  1   100.409 ? 60  A 1 .
ATOM 812  C CB   . LYS Axp A 52  ? 20.434 85.189 66.323 1   100.792 ? 60  A 1 .
ATOM 813  C CG   . LYS Axp A 52  ? 20.58  86.695 66.227 1   118.358 ? 60  A 1 .
ATOM 814  C CD   . LYS Axp A 52  ? 20.354 87.28  64.832 1   122.558 ? 60  A 1 .
ATOM 815  C CE   . LYS Axp A 52  ? 21.18  88.512 64.566 1   108.171 ? 60  A 1 .
ATOM 816  N NZ   . LYS Axp A 52  ? 20.881 89.14  63.277 1   98.587  ? 60  A 1 .
ATOM 817  H H    . LYS Axp A 52  ? 22.481 85.133 68.146 1   106.509 ? 60  A 1 c
ATOM 818  H HA   . LYS Axp A 52  ? 19.693 84.805 68.223 1   101.317 ? 60  A 1 c
ATOM 819  H HB3  . LYS Axp A 52  ? 19.565 84.939 65.943 1   104.116 ? 60  A 1 c
ATOM 820  H HB2  . LYS Axp A 52  ? 21.129 84.777 65.767 1   104.069 ? 60  A 1 c
ATOM 821  H HG3  . LYS Axp A 52  ? 21.483 86.936 66.528 1   114.963 ? 60  A 1 c
ATOM 822  H HG2  . LYS Axp A 52  ? 19.943 87.106 66.849 1   115.435 ? 60  A 1 c
ATOM 823  H HD3  . LYS Axp A 52  ? 19.405 87.508 64.732 1   118.314 ? 60  A 1 c
ATOM 824  H HD2  . LYS Axp A 52  ? 20.572 86.598 64.16  1   117.789 ? 60  A 1 c
ATOM 825  H HE3  . LYS Axp A 52  ? 22.124 88.273 64.586 1   108.869 ? 60  A 1 c
ATOM 826  H HE2  . LYS Axp A 52  ? 21.021 89.161 65.274 1   108.869 ? 60  A 1 c
ATOM 827  H HZ1  . LYS Axp A 52  ? 19.995 89.32  63.225 1   101.496 ? 60  A 1 c
ATOM 828  H HZ2  . LYS Axp A 52  ? 21.117 88.582 62.605 1   101.552 ? 60  A 1 c
ATOM 829  H HZ3  . LYS Axp A 52  ? 21.347 89.914 63.199 1   101.474 ? 60  A 1 c
ATOM 830  N N    . TYR Axp A 53  ? 19.6   82.418 67.252 1   106.316 ? 61  A 1 .
ATOM 831  C CA   . TYR Axp A 53  ? 19.605 80.966 67.202 1   107.804 ? 61  A 1 .
ATOM 832  C C    . TYR Axp A 53  ? 18.862 80.475 65.958 1   109.63  ? 61  A 1 .
ATOM 833  O O    . TYR Axp A 53  ? 17.752 80.924 65.674 1   129.443 ? 61  A 1 .
ATOM 834  C CB   . TYR Axp A 53  ? 18.995 80.398 68.484 1   113.381 ? 61  A 1 .
ATOM 835  C CG   . TYR Axp A 53  ? 19.744 80.711 69.772 1   119.487 ? 61  A 1 .
ATOM 836  C CD1  . TYR Axp A 53  ? 20.788 79.91  70.213 1   115.647 ? 61  A 1 .
ATOM 837  C CD2  . TYR Axp A 53  ? 19.369 81.781 70.583 1   139.866 ? 61  A 1 .
ATOM 838  C CE1  . TYR Axp A 53  ? 21.434 80.164 71.419 1   118.853 ? 61  A 1 .
ATOM 839  C CE2  . TYR Axp A 53  ? 20.016 82.06  71.778 1   133.483 ? 61  A 1 .
ATOM 840  C CZ   . TYR Axp A 53  ? 21.052 81.247 72.202 1   118.474 ? 61  A 1 .
ATOM 841  O OH   . TYR Axp A 53  ? 21.631 81.546 73.403 1   97.072  ? 61  A 1 .
ATOM 842  H H    . TYR Axp A 53  ? 18.837 82.868 67.027 1   105.892 ? 61  A 1 c
ATOM 843  H HA   . TYR Axp A 53  ? 20.543 80.661 67.147 1   108.637 ? 61  A 1 c
ATOM 844  H HB3  . TYR Axp A 53  ? 18.933 79.422 68.388 1   113.414 ? 61  A 1 c
ATOM 845  H HB2  . TYR Axp A 53  ? 18.077 80.741 68.564 1   113.43  ? 61  A 1 c
ATOM 846  H HD1  . TYR Axp A 53  ? 21.051 79.165 69.697 1   117.403 ? 61  A 1 c
ATOM 847  H HD2  . TYR Axp A 53  ? 18.66  82.333 70.311 1   133.194 ? 61  A 1 c
ATOM 848  H HE1  . TYR Axp A 53  ? 22.142 79.61  71.701 1   118.047 ? 61  A 1 c
ATOM 849  H HE2  . TYR Axp A 53  ? 19.739 82.787 72.309 1   130.732 ? 61  A 1 c
ATOM 850  H HH   . TYR Axp A 53  ? 22.197 80.925 73.412 0   95.99   ? 61  A 1 c
ATOM 851  N N    . ILE Axp A 54  ? 19.513 79.579 65.197 1   93.891  ? 62  A 1 .
ATOM 852  C CA   . ILE Axp A 54  ? 18.839 78.719 64.239 1   85.146  ? 62  A 1 .
ATOM 853  C C    . ILE Axp A 54  ? 18.858 77.319 64.823 1   90.747  ? 62  A 1 .
ATOM 854  O O    . ILE Axp A 54  ? 19.881 76.904 65.354 1   107.821 ? 62  A 1 .
ATOM 855  C CB   . ILE Axp A 54  ? 19.496 78.741 62.846 1   86.134  ? 62  A 1 .
ATOM 856  C CG1  . ILE Axp A 54  ? 19.143 79.973 62.054 1   95.77   ? 62  A 1 .
ATOM 857  C CG2  . ILE Axp A 54  ? 19.098 77.506 62.045 1   90.581  ? 62  A 1 .
ATOM 858  C CD1  . ILE Axp A 54  ? 19.297 81.274 62.816 1   111.017 ? 62  A 1 .
ATOM 859  H H    . ILE Axp A 54  ? 20.42  79.507 65.28  1   95.48   ? 62  A 1 c
ATOM 860  H HA   . ILE Axp A 54  ? 17.914 79.01  64.152 1   88.702  ? 62  A 1 c
ATOM 861  H HB   . ILE Axp A 54  ? 20.466 78.727 62.968 1   88.53   ? 62  A 1 c
ATOM 862  H HG12 . ILE Axp A 54  ? 18.217 79.895 61.746 1   96.811  ? 62  A 1 c
ATOM 863  H HG13 . ILE Axp A 54  ? 19.716 80.007 61.261 1   96.628  ? 62  A 1 c
ATOM 864  H HG21 . ILE Axp A 54  ? 19.31  77.646 61.107 1   89.363  ? 62  A 1 c
ATOM 865  H HG22 . ILE Axp A 54  ? 18.144 77.349 62.137 1   89.388  ? 62  A 1 c
ATOM 866  H HG23 . ILE Axp A 54  ? 19.587 76.732 62.371 1   89.306  ? 62  A 1 c
ATOM 867  H HD11 . ILE Axp A 54  ? 18.547 81.4   63.422 1   106.317 ? 62  A 1 c
ATOM 868  H HD12 . ILE Axp A 54  ? 19.325 82.015 62.182 1   106.208 ? 62  A 1 c
ATOM 869  H HD13 . ILE Axp A 54  ? 20.128 81.258 63.328 1   106.201 ? 62  A 1 c
ATOM 870  N N    . VAL Axp A 55  ? 17.743 76.596 64.679 1   98.669  ? 63  A 1 .
ATOM 871  C CA   . VAL Axp A 55  ? 17.614 75.266 65.257 1   108.408 ? 63  A 1 .
ATOM 872  C C    . VAL Axp A 55  ? 16.755 74.371 64.364 1   105.019 ? 63  A 1 .
ATOM 873  O O    . VAL Axp A 55  ? 15.596 74.691 64.085 1   96.711  ? 63  A 1 .
ATOM 874  C CB   . VAL Axp A 55  ? 17.023 75.383 66.673 1   116.391 ? 63  A 1 .
ATOM 875  C CG1  . VAL Axp A 55  ? 16.026 76.528 66.766 1   127.626 ? 63  A 1 .
ATOM 876  C CG2  . VAL Axp A 55  ? 16.384 74.078 67.124 1   119.781 ? 63  A 1 .
ATOM 877  H H    . VAL Axp A 55  ? 17.043 76.938 64.202 1   98.707  ? 63  A 1 c
ATOM 878  H HA   . VAL Axp A 55  ? 18.503 74.874 65.326 1   107.049 ? 63  A 1 c
ATOM 879  H HB   . VAL Axp A 55  ? 17.768 75.581 67.285 1   117.853 ? 63  A 1 c
ATOM 880  H HG11 . VAL Axp A 55  ? 15.453 76.525 65.982 1   123.819 ? 63  A 1 c
ATOM 881  H HG12 . VAL Axp A 55  ? 16.503 77.373 66.816 1   123.952 ? 63  A 1 c
ATOM 882  H HG13 . VAL Axp A 55  ? 15.481 76.418 67.563 1   124.068 ? 63  A 1 c
ATOM 883  H HG21 . VAL Axp A 55  ? 16.255 74.097 68.087 1   118.79  ? 63  A 1 c
ATOM 884  H HG22 . VAL Axp A 55  ? 16.965 73.333 66.893 1   118.805 ? 63  A 1 c
ATOM 885  H HG23 . VAL Axp A 55  ? 15.525 73.965 66.687 1   118.841 ? 63  A 1 c
ATOM 886  N N    . THR Axp A 56  ? 17.326 73.227 63.955 1   102.413 ? 64  A 1 .
ATOM 887  C CA   . THR Axp A 56  ? 16.694 72.346 62.983 1   116.338 ? 64  A 1 .
ATOM 888  C C    . THR Axp A 56  ? 16.62  70.937 63.559 1   120.335 ? 64  A 1 .
ATOM 889  O O    . THR Axp A 56  ? 17.47  70.558 64.36  1   125.116 ? 64  A 1 .
ATOM 890  C CB   . THR Axp A 56  ? 17.462 72.351 61.658 1   134.885 ? 64  A 1 .
ATOM 891  O OG1  . THR Axp A 56  ? 18.839 72.136 61.96  1   130.894 ? 64  A 1 .
ATOM 892  C CG2  . THR Axp A 56  ? 17.311 73.64  60.867 1   134.681 ? 64  A 1 .
ATOM 893  H H    . THR Axp A 56  ? 18.139 72.987 64.298 1   106.06  ? 64  A 1 c
ATOM 894  H HA   . THR Axp A 56  ? 15.781 72.667 62.815 1   117.268 ? 64  A 1 c
ATOM 895  H HB   . THR Axp A 56  ? 17.138 71.606 61.098 1   130.447 ? 64  A 1 c
ATOM 896  H HG1  . THR Axp A 56  ? 19.126 72.862 62.128 0   107.64  ? 64  A 1 c
ATOM 897  H HG21 . THR Axp A 56  ? 18.191 73.988 60.642 1   134.803 ? 64  A 1 c
ATOM 898  H HG22 . THR Axp A 56  ? 16.833 74.296 61.4   1   134.869 ? 64  A 1 c
ATOM 899  H HG23 . THR Axp A 56  ? 16.818 73.463 60.048 1   135.062 ? 64  A 1 c
ATOM 900  N N    . ALA Axp A 57  ? 15.604 70.172 63.122 1   128.39  ? 65  A 1 .
ATOM 901  C CA   . ALA Axp A 57  ? 15.37  68.815 63.604 1   131.273 ? 65  A 1 .
ATOM 902  C C    . ALA Axp A 57  ? 14.78  67.935 62.498 1   134.759 ? 65  A 1 .
ATOM 903  O O    . ALA Axp A 57  ? 13.788 68.295 61.861 1   129.193 ? 65  A 1 .
ATOM 904  C CB   . ALA Axp A 57  ? 14.473 68.847 64.822 1   123.236 ? 65  A 1 .
ATOM 905  H H    . ALA Axp A 57  ? 15.034 70.514 62.495 1   126.946 ? 65  A 1 c
ATOM 906  H HA   . ALA Axp A 57  ? 16.249 68.427 63.866 1   129.901 ? 65  A 1 c
ATOM 907  H HB3  . ALA Axp A 57  ? 14.247 67.94  65.086 1   125.613 ? 65  A 1 c
ATOM 908  H HB2  . ALA Axp A 57  ? 13.657 69.333 64.614 1   125.575 ? 65  A 1 c
ATOM 909  H HB1  . ALA Axp A 57  ? 14.932 69.291 65.555 1   125.576 ? 65  A 1 c
ATOM 910  N N    . MET Axp A 58  ? 15.38  66.751 62.311 1   138.733 ? 66  A 1 .
ATOM 911  C CA   . MET Axp A 58  ? 15.056 65.899 61.177 1   148.296 ? 66  A 1 .
ATOM 912  C C    . MET Axp A 58  ? 14.675 64.515 61.662 1   131.733 ? 66  A 1 .
ATOM 913  O O    . MET Axp A 58  ? 15.249 64.029 62.618 1   120.448 ? 66  A 1 .
ATOM 914  C CB   . MET Axp A 58  ? 16.226 65.777 60.197 1   159.446 ? 66  A 1 .
ATOM 915  C CG   . MET Axp A 58  ? 16.52  67.079 59.503 1   194.291 ? 66  A 1 .
ATOM 916  S SD   . MET Axp A 58  ? 15.038 67.858 58.831 1   233.432 ? 66  A 1 .
ATOM 917  C CE   . MET Axp A 58  ? 14.93  66.994 57.256 1   256.445 ? 66  A 1 .
ATOM 918  H H    . MET Axp A 58  ? 16.007 66.464 62.911 1   139.71  ? 66  A 1 c
ATOM 919  H HA   . MET Axp A 58  ? 14.277 66.286 60.711 1   144.861 ? 66  A 1 c
ATOM 920  H HB3  . MET Axp A 58  ? 16.019 65.089 59.529 1   163.764 ? 66  A 1 c
ATOM 921  H HB2  . MET Axp A 58  ? 17.021 65.494 60.693 1   163.041 ? 66  A 1 c
ATOM 922  H HG3  . MET Axp A 58  ? 17.143 66.925 58.781 1   191.404 ? 66  A 1 c
ATOM 923  H HG2  . MET Axp A 58  ? 16.94  67.696 60.136 1   191.71  ? 66  A 1 c
ATOM 924  H HE3  . MET Axp A 58  ? 15.52  66.219 57.269 1   249.048 ? 66  A 1 c
ATOM 925  H HE2  . MET Axp A 58  ? 15.2   67.595 56.537 1   248.862 ? 66  A 1 c
ATOM 926  H HE1  . MET Axp A 58  ? 14.012 66.7   57.11  1   248.846 ? 66  A 1 c
ATOM 927  N N    . ILE Axp A 59  ? 13.704 63.913 60.971 1   131.659 ? 67  A 1 .
ATOM 928  C CA   . ILE Axp A 59  ? 13.13  62.641 61.371 1   123.451 ? 67  A 1 .
ATOM 929  C C    . ILE Axp A 59  ? 12.902 61.801 60.12  1   127.493 ? 67  A 1 .
ATOM 930  O O    . ILE Axp A 59  ? 12.266 62.274 59.174 1   115.808 ? 67  A 1 .
ATOM 931  C CB   . ILE Axp A 59  ? 11.84  62.867 62.182 1   110.689 ? 67  A 1 .
ATOM 932  C CG1  . ILE Axp A 59  ? 12.133 62.878 63.699 1   98.31   ? 67  A 1 .
ATOM 933  C CG2  . ILE Axp A 59  ? 10.754 61.853 61.817 1   111.497 ? 67  A 1 .
ATOM 934  C CD1  . ILE Axp A 59  ? 11.097 63.605 64.545 1   98.211  ? 67  A 1 .
ATOM 935  H H    . ILE Axp A 59  ? 13.386 64.315 60.214 1   129.999 ? 67  A 1 c
ATOM 936  H HA   . ILE Axp A 59  ? 13.774 62.181 61.937 1   124.196 ? 67  A 1 c
ATOM 937  H HB   . ILE Axp A 59  ? 11.502 63.754 61.947 1   110.768 ? 67  A 1 c
ATOM 938  H HG12 . ILE Axp A 59  ? 13.006 63.293 63.847 1   101.793 ? 67  A 1 c
ATOM 939  H HG13 . ILE Axp A 59  ? 12.184 61.956 64.012 1   103.504 ? 67  A 1 c
ATOM 940  H HG21 . ILE Axp A 59  ? 9.938  62.063 62.301 1   111.298 ? 67  A 1 c
ATOM 941  H HG22 . ILE Axp A 59  ? 11.048 60.958 62.058 1   111.749 ? 67  A 1 c
ATOM 942  H HG23 . ILE Axp A 59  ? 10.579 61.889 60.868 1   111.43  ? 67  A 1 c
ATOM 943  H HD11 . ILE Axp A 59  ? 11.279 64.564 64.531 1   98.261  ? 67  A 1 c
ATOM 944  H HD12 . ILE Axp A 59  ? 11.142 63.282 65.465 1   98.261  ? 67  A 1 c
ATOM 945  H HD13 . ILE Axp A 59  ? 10.205 63.44  64.187 1   98.326  ? 67  A 1 c
ATOM 946  N N    . MET Axp A 60  ? 13.411 60.554 60.145 1   116.382 ? 68  A 1 .
ATOM 947  C CA   . MET Axp A 60  ? 13.321 59.68  58.985 1   119.171 ? 68  A 1 .
ATOM 948  C C    . MET Axp A 60  ? 13.068 58.227 59.395 1   126.678 ? 68  A 1 .
ATOM 949  O O    . MET Axp A 60  ? 13.974 57.541 59.859 1   131.962 ? 68  A 1 .
ATOM 950  C CB   . MET Axp A 60  ? 14.579 59.791 58.115 1   110.165 ? 68  A 1 .
ATOM 951  C CG   . MET Axp A 60  ? 15.625 58.733 58.367 1   110.582 ? 68  A 1 .
ATOM 952  S SD   . MET Axp A 60  ? 16.591 58.525 56.869 1   101.241 ? 68  A 1 .
ATOM 953  C CE   . MET Axp A 60  ? 15.717 57.434 55.737 1   104.803 ? 68  A 1 .
ATOM 954  H H    . MET Axp A 60  ? 13.822 60.246 60.901 1   121.279 ? 68  A 1 c
ATOM 955  H HA   . MET Axp A 60  ? 12.548 59.976 58.45  1   118.662 ? 68  A 1 c
ATOM 956  H HB3  . MET Axp A 60  ? 14.982 60.672 58.266 1   112.275 ? 68  A 1 c
ATOM 957  H HB2  . MET Axp A 60  ? 14.307 59.748 57.174 1   112.19  ? 68  A 1 c
ATOM 958  H HG3  . MET Axp A 60  ? 15.21  57.885 58.593 1   108.954 ? 68  A 1 c
ATOM 959  H HG2  . MET Axp A 60  ? 16.211 59.003 59.102 1   108.71  ? 68  A 1 c
ATOM 960  H HE3  . MET Axp A 60  ? 14.981 57.922 55.327 1   104.234 ? 68  A 1 c
ATOM 961  H HE2  . MET Axp A 60  ? 15.366 56.669 56.23  1   103.986 ? 68  A 1 c
ATOM 962  H HE1  . MET Axp A 60  ? 16.33  57.124 55.046 1   103.986 ? 68  A 1 c
ATOM 963  N N    . GLN Axp A 61  ? 11.832 57.755 59.173 1   122.694 ? 69  A 1 .
ATOM 964  C CA   . GLN Axp A 61  ? 11.49  56.341 59.214 1   122.43  ? 69  A 1 .
ATOM 965  C C    . GLN Axp A 61  ? 12.711 55.476 58.91  1   109.7   ? 69  A 1 .
ATOM 966  O O    . GLN Axp A 61  ? 13.442 55.771 57.964 1   109.382 ? 69  A 1 .
ATOM 967  C CB   . GLN Axp A 61  ? 10.447 56.061 58.132 1   136.827 ? 69  A 1 .
ATOM 968  C CG   . GLN Axp A 61  ? 9.742  54.713 58.244 1   153.496 ? 69  A 1 .
ATOM 969  C CD   . GLN Axp A 61  ? 8.667  54.531 57.192 1   161.806 ? 69  A 1 .
ATOM 970  O OE1  . GLN Axp A 61  ? 8.412  55.418 56.373 1   153.271 ? 69  A 1 .
ATOM 971  N NE2  . GLN Axp A 61  ? 8.016  53.377 57.204 1   178.36  ? 69  A 1 .
ATOM 972  H H    . GLN Axp A 61  ? 11.165 58.354 58.995 1   123.682 ? 69  A 1 c
ATOM 973  H HA   . GLN Axp A 61  ? 11.132 56.119 60.111 1   122.182 ? 69  A 1 c
ATOM 974  H HB3  . GLN Axp A 61  ? 10.891 56.104 57.263 1   136.311 ? 69  A 1 c
ATOM 975  H HB2  . GLN Axp A 61  ? 9.773  56.772 58.158 1   136.616 ? 69  A 1 c
ATOM 976  H HG3  . GLN Axp A 61  ? 9.334  54.633 59.132 1   151.329 ? 69  A 1 c
ATOM 977  H HG2  . GLN Axp A 61  ? 10.401 53.993 58.15  1   151.15  ? 69  A 1 c
ATOM 978  H HE21 . GLN Axp A 61  ? 7.145  53.359 57.036 1   173.091 ? 69  A 1 c
ATOM 979  H HE22 . GLN Axp A 61  ? 8.452  52.625 57.379 1   173.091 ? 69  A 1 c
ATOM 980  N N    . LYS Axp A 62  ? 12.899 54.4   59.697 1   100.702 ? 70  A 1 .
ATOM 981  C CA   . LYS Axp A 62  ? 14.041 53.495 59.557 1   93.069  ? 70  A 1 .
ATOM 982  C C    . LYS Axp A 62  ? 13.816 52.419 58.482 1   104.297 ? 70  A 1 .
ATOM 983  O O    . LYS Axp A 62  ? 13.876 51.226 58.78  1   88.672  ? 70  A 1 .
ATOM 984  C CB   . LYS Axp A 62  ? 14.429 52.807 60.876 1   73.841  ? 70  A 1 .
ATOM 985  C CG   . LYS Axp A 62  ? 15.578 53.462 61.606 1   72.914  ? 70  A 1 .
ATOM 986  C CD   . LYS Axp A 62  ? 16.036 52.685 62.828 1   81.785  ? 70  A 1 .
ATOM 987  C CE   . LYS Axp A 62  ? 16.962 53.516 63.677 1   99.509  ? 70  A 1 .
ATOM 988  N NZ   . LYS Axp A 62  ? 17.442 52.815 64.872 1   98.641  ? 70  A 1 .
ATOM 989  H H    . LYS Axp A 62  ? 12.282 54.222 60.347 1   101.056 ? 70  A 1 c
ATOM 990  H HA   . LYS Axp A 62  ? 14.819 54.039 59.275 1   92.366  ? 70  A 1 c
ATOM 991  H HB3  . LYS Axp A 62  ? 14.68  51.878 60.69  1   77.917  ? 70  A 1 c
ATOM 992  H HB2  . LYS Axp A 62  ? 13.652 52.788 61.468 1   78.29   ? 70  A 1 c
ATOM 993  H HG3  . LYS Axp A 62  ? 15.302 54.362 61.883 1   75.313  ? 70  A 1 c
ATOM 994  H HG2  . LYS Axp A 62  ? 16.333 53.555 60.985 1   75.212  ? 70  A 1 c
ATOM 995  H HD3  . LYS Axp A 62  ? 16.503 51.87  62.541 1   83.378  ? 70  A 1 c
ATOM 996  H HD2  . LYS Axp A 62  ? 15.253 52.425 63.361 1   83.453  ? 70  A 1 c
ATOM 997  H HE3  . LYS Axp A 62  ? 16.499 54.326 63.956 1   95.055  ? 70  A 1 c
ATOM 998  H HE2  . LYS Axp A 62  ? 17.73  53.783 63.141 1   95.197  ? 70  A 1 c
ATOM 999  H HZ1  . LYS Axp A 62  ? 18.308 52.572 64.756 1   98.941  ? 70  A 1 c
ATOM 1000 H HZ2  . LYS Axp A 62  ? 16.944 52.074 65.021 1   98.987  ? 70  A 1 c
ATOM 1001 H HZ3  . LYS Axp A 62  ? 17.382 53.362 65.591 1   99.166  ? 70  A 1 c
ATOM 1002 N N    . ASN Axp A 63  ? 13.709 52.859 57.215 1   119.777 ? 71  A 1 .
ATOM 1003 C CA   . ASN Axp A 63  ? 13.292 52.061 56.065 1   134.077 ? 71  A 1 .
ATOM 1004 C C    . ASN Axp A 63  ? 14.46  51.3   55.42  1   134.146 ? 71  A 1 .
ATOM 1005 O O    . ASN Axp A 63  ? 14.264 50.23  54.842 1   113.632 ? 71  A 1 .
ATOM 1006 C CB   . ASN Axp A 63  ? 12.649 52.982 55.03  1   149.365 ? 71  A 1 .
ATOM 1007 C CG   . ASN Axp A 63  ? 12.251 52.282 53.751 1   152.42  ? 71  A 1 .
ATOM 1008 O OD1  . ASN Axp A 63  ? 11.154 51.72  53.683 1   161.813 ? 71  A 1 .
ATOM 1009 N ND2  . ASN Axp A 63  ? 13.09  52.343 52.724 1   133.056 ? 71  A 1 .
ATOM 1010 H H    . ASN Axp A 63  ? 13.924 53.733 57.061 1   119.025 ? 71  A 1 c
ATOM 1011 H HA   . ASN Axp A 63  ? 12.612 51.414 56.361 1   133.652 ? 71  A 1 c
ATOM 1012 H HB3  . ASN Axp A 63  ? 13.278 53.696 54.813 1   145.841 ? 71  A 1 c
ATOM 1013 H HB2  . ASN Axp A 63  ? 11.855 53.393 55.424 1   146.144 ? 71  A 1 c
ATOM 1014 H HD21 . ASN Axp A 63  ? 12.808 52.111 51.918 1   138.791 ? 71  A 1 c
ATOM 1015 H HD22 . ASN Axp A 63  ? 13.927 52.61  52.846 1   138.762 ? 71  A 1 c
ATOM 1016 N N    . GLY Axp A 64  ? 15.67  51.871 55.481 1   136.017 ? 72  A 1 .
ATOM 1017 C CA   . GLY Axp A 64  ? 16.856 51.24  54.927 1   136.913 ? 72  A 1 .
ATOM 1018 C C    . GLY Axp A 64  ? 17.467 52.072 53.805 1   123.871 ? 72  A 1 .
ATOM 1019 O O    . GLY Axp A 64  ? 18.225 51.558 52.978 1   118.165 ? 72  A 1 .
ATOM 1020 H H    . GLY Axp A 64  ? 15.762 52.671 55.913 1   135.153 ? 72  A 1 c
ATOM 1021 H HA3  . GLY Axp A 64  ? 16.624 50.344 54.587 1   133.648 ? 72  A 1 c
ATOM 1022 H HA2  . GLY Axp A 64  ? 17.51  51.13  55.646 1   134.206 ? 72  A 1 c
ATOM 1023 N N    . ALA Axp A 65  ? 17.111 53.358 53.806 1   107.492 ? 73  A 1 .
ATOM 1024 C CA   . ALA Axp A 65  ? 17.595 54.318 52.837 1   106.672 ? 73  A 1 .
ATOM 1025 C C    . ALA Axp A 65  ? 18.663 55.175 53.505 1   114.816 ? 73  A 1 .
ATOM 1026 O O    . ALA Axp A 65  ? 18.603 55.426 54.712 1   99.77   ? 73  A 1 .
ATOM 1027 C CB   . ALA Axp A 65  ? 16.44  55.16  52.331 1   113.581 ? 73  A 1 .
ATOM 1028 H H    . ALA Axp A 65  ? 16.54  53.658 54.453 1   111.571 ? 73  A 1 c
ATOM 1029 H HA   . ALA Axp A 65  ? 18.008 53.826 52.077 1   109.561 ? 73  A 1 c
ATOM 1030 H HB3  . ALA Axp A 65  ? 16.478 55.217 51.361 1   111.326 ? 73  A 1 c
ATOM 1031 H HB2  . ALA Axp A 65  ? 16.495 56.054 52.707 1   111.488 ? 73  A 1 c
ATOM 1032 H HB1  . ALA Axp A 65  ? 15.597 54.753 52.594 1   111.53  ? 73  A 1 c
ATOM 1033 N N    . GLY Axp A 66  ? 19.613 55.642 52.686 1   127.021 ? 74  A 1 .
ATOM 1034 C CA   . GLY Axp A 66  ? 20.765 56.389 53.156 1   114.213 ? 74  A 1 .
ATOM 1035 C C    . GLY Axp A 66  ? 20.424 57.862 53.355 1   101.936 ? 74  A 1 .
ATOM 1036 O O    . GLY Axp A 66  ? 19.607 58.415 52.625 1   96.501  ? 74  A 1 .
ATOM 1037 H H    . GLY Axp A 66  ? 19.525 55.505 51.788 1   119.74  ? 74  A 1 c
ATOM 1038 H HA3  . GLY Axp A 66  ? 21.495 56.305 52.501 1   113.847 ? 74  A 1 c
ATOM 1039 H HA2  . GLY Axp A 66  ? 21.073 56.001 54.005 1   113.756 ? 74  A 1 c
ATOM 1040 N N    . LEU Axp A 67  ? 21.094 58.484 54.332 1   97.535  ? 75  A 1 .
ATOM 1041 C CA   . LEU Axp A 67  ? 20.827 59.853 54.739 1   82.188  ? 75  A 1 .
ATOM 1042 C C    . LEU Axp A 67  ? 22.133 60.58  55.057 1   77.187  ? 75  A 1 .
ATOM 1043 O O    . LEU Axp A 67  ? 23.009 60.043 55.731 1   67.69   ? 75  A 1 .
ATOM 1044 C CB   . LEU Axp A 67  ? 19.914 59.722 55.95  1   85.551  ? 75  A 1 .
ATOM 1045 C CG   . LEU Axp A 67  ? 19.259 60.993 56.495 1   93.249  ? 75  A 1 .
ATOM 1046 C CD1  . LEU Axp A 67  ? 20.068 61.62  57.615 1   106.394 ? 75  A 1 .
ATOM 1047 C CD2  . LEU Axp A 67  ? 19.031 61.96  55.362 1   100.72  ? 75  A 1 .
ATOM 1048 H H    . LEU Axp A 67  ? 21.755 58.027 54.766 1   94.944  ? 75  A 1 c
ATOM 1049 H HA   . LEU Axp A 67  ? 20.357 60.319 54.005 1   84.968  ? 75  A 1 c
ATOM 1050 H HB3  . LEU Axp A 67  ? 20.432 59.316 56.675 1   86.089  ? 75  A 1 c
ATOM 1051 H HB2  . LEU Axp A 67  ? 19.2   59.084 55.722 1   86.555  ? 75  A 1 c
ATOM 1052 H HG   . LEU Axp A 67  ? 18.373 60.747 56.865 1   95.471  ? 75  A 1 c
ATOM 1053 H HD11 . LEU Axp A 67  ? 19.891 61.15  58.447 1   101.851 ? 75  A 1 c
ATOM 1054 H HD12 . LEU Axp A 67  ? 19.818 62.554 57.713 1   102.155 ? 75  A 1 c
ATOM 1055 H HD13 . LEU Axp A 67  ? 21.015 61.56  57.406 1   101.973 ? 75  A 1 c
ATOM 1056 H HD21 . LEU Axp A 67  ? 18.751 61.478 54.567 1   98.041  ? 75  A 1 c
ATOM 1057 H HD22 . LEU Axp A 67  ? 19.849 62.446 55.177 1   98.083  ? 75  A 1 c
ATOM 1058 H HD23 . LEU Axp A 67  ? 18.335 62.591 55.613 1   98.289  ? 75  A 1 c
ATOM 1059 N N    . HIS Axp A 68  ? 22.261 61.814 54.554 1   84.137  ? 76  A 1 .
ATOM 1060 C CA   . HIS Axp A 68  ? 23.554 62.486 54.499 1   91.982  ? 76  A 1 .
ATOM 1061 C C    . HIS Axp A 68  ? 23.395 64.008 54.603 1   90.527  ? 76  A 1 .
ATOM 1062 O O    . HIS Axp A 68  ? 22.502 64.557 53.956 1   81.321  ? 76  A 1 .
ATOM 1063 C CB   . HIS Axp A 68  ? 24.245 62.103 53.187 1   98.171  ? 76  A 1 .
ATOM 1064 C CG   . HIS Axp A 68  ? 24.17  60.647 52.827 1   86.344  ? 76  A 1 .
ATOM 1065 N ND1  . HIS Axp A 68  ? 25.05  59.694 53.283 1   68.311  ? 76  A 1 .
ATOM 1066 C CD2  . HIS Axp A 68  ? 23.299 59.995 52.043 1   77.673  ? 76  A 1 .
ATOM 1067 C CE1  . HIS Axp A 68  ? 24.714 58.523 52.779 1   61.867  ? 76  A 1 .
ATOM 1068 N NE2  . HIS Axp A 68  ? 23.664 58.684 52.018 1   63.645  ? 76  A 1 .
ATOM 1069 H H    . HIS Axp A 68  ? 21.53  62.242 54.215 1   84.349  ? 76  A 1 c
ATOM 1070 H HA   . HIS Axp A 68  ? 24.105 62.177 55.257 1   90.817  ? 76  A 1 c
ATOM 1071 H HB3  . HIS Axp A 68  ? 25.187 62.367 53.243 1   93.677  ? 76  A 1 c
ATOM 1072 H HB2  . HIS Axp A 68  ? 23.844 62.627 52.46  1   93.839  ? 76  A 1 c
ATOM 1073 H HD1  . HIS Axp A 68  ? 25.84  59.927 53.778 0   69.75   ? 76  A 1 c
ATOM 1074 H HD2  . HIS Axp A 68  ? 22.578 60.368 51.576 1   75.948  ? 76  A 1 c
ATOM 1075 H HE1  . HIS Axp A 68  ? 25.161 57.71  52.939 1   63.97   ? 76  A 1 c
ATOM 1076 H HE2  . HIS Axp A 68  ? 23.349 58.114 51.542 0   61.22   ? 76  A 1 c
ATOM 1077 N N    . THR Axp A 69  ? 24.277 64.677 55.383 1   88.698  ? 77  A 1 .
ATOM 1078 C CA   . THR Axp A 69  ? 24.08  66.074 55.77  1   92.567  ? 77  A 1 .
ATOM 1079 C C    . THR Axp A 69  ? 25.36  66.886 55.573 1   80.514  ? 77  A 1 .
ATOM 1080 O O    . THR Axp A 69  ? 26.406 66.312 55.323 1   91.692  ? 77  A 1 .
ATOM 1081 C CB   . THR Axp A 69  ? 23.59  66.187 57.219 1   94.743  ? 77  A 1 .
ATOM 1082 O OG1  . THR Axp A 69  ? 24.655 65.726 58.048 1   95.165  ? 77  A 1 .
ATOM 1083 C CG2  . THR Axp A 69  ? 22.278 65.457 57.467 1   83.446  ? 77  A 1 .
ATOM 1084 H H    . THR Axp A 69  ? 25.025 64.243 55.679 1   90.009  ? 77  A 1 c
ATOM 1085 H HA   . THR Axp A 69  ? 23.388 66.451 55.19  1   89.727  ? 77  A 1 c
ATOM 1086 H HB   . THR Axp A 69  ? 23.432 67.141 57.418 1   92.078  ? 77  A 1 c
ATOM 1087 H HG1  . THR Axp A 69  ? 24.459 64.731 57.968 0   117.82  ? 77  A 1 c
ATOM 1088 H HG21 . THR Axp A 69  ? 21.946 65.675 58.355 1   86.826  ? 77  A 1 c
ATOM 1089 H HG22 . THR Axp A 69  ? 22.422 64.499 57.4   1   86.825  ? 77  A 1 c
ATOM 1090 H HG23 . THR Axp A 69  ? 21.628 65.731 56.801 1   87.457  ? 77  A 1 c
ATOM 1091 N N    . ALA Axp A 70  ? 25.244 68.22  55.702 1   81.157  ? 78  A 1 .
ATOM 1092 C CA   . ALA Axp A 70  ? 26.355 69.157 55.598 1   79.068  ? 78  A 1 .
ATOM 1093 C C    . ALA Axp A 70  ? 26.122 70.444 56.418 1   82.526  ? 78  A 1 .
ATOM 1094 O O    . ALA Axp A 70  ? 25.025 70.966 56.604 1   73.848  ? 78  A 1 .
ATOM 1095 C CB   . ALA Axp A 70  ? 26.603 69.45  54.143 1   74.637  ? 78  A 1 .
ATOM 1096 H H    . ALA Axp A 70  ? 24.412 68.563 55.861 1   80.768  ? 78  A 1 c
ATOM 1097 H HA   . ALA Axp A 70  ? 27.164 68.707 55.97  1   79.325  ? 78  A 1 c
ATOM 1098 H HB3  . ALA Axp A 70  ? 27.138 70.253 54.064 1   76.54   ? 78  A 1 c
ATOM 1099 H HB2  . ALA Axp A 70  ? 25.755 69.582 53.686 1   76.291  ? 78  A 1 c
ATOM 1100 H HB1  . ALA Axp A 70  ? 27.077 68.706 53.734 1   76.115  ? 78  A 1 c
ATOM 1101 N N    . SER Axp A 71  ? 27.216 70.98  56.933 1   79.72   ? 79  A 1 .
ATOM 1102 C CA   . SER Axp A 71  ? 27.183 71.887 58.061 1   87.053  ? 79  A 1 .
ATOM 1103 C C    . SER Axp A 71  ? 28.253 72.92  57.77  1   84.029  ? 79  A 1 .
ATOM 1104 O O    . SER Axp A 71  ? 29.105 73.196 58.618 1   122.278 ? 79  A 1 .
ATOM 1105 C CB   . SER Axp A 71  ? 27.392 71.106 59.427 1   104.708 ? 79  A 1 .
ATOM 1106 O OG   . SER Axp A 71  ? 28.294 71.652 60.405 1   73.154  ? 79  A 1 .
ATOM 1107 H H    . SER Axp A 71  ? 28.026 70.766 56.567 1   81.861  ? 79  A 1 c
ATOM 1108 H HA   . SER Axp A 71  ? 26.303 72.342 58.082 1   87.665  ? 79  A 1 c
ATOM 1109 H HB3  . SER Axp A 71  ? 27.694 70.204 59.212 1   92.147  ? 79  A 1 c
ATOM 1110 H HB2  . SER Axp A 71  ? 26.518 71.006 59.849 1   92.212  ? 79  A 1 c
ATOM 1111 H HG   . SER Axp A 71  ? 28.549 71.354 60.856 0   44.11   ? 79  A 1 c
ATOM 1112 N N    . SER Axp A 72  ? 28.261 73.417 56.534 1   65.676  ? 80  A 1 .
ATOM 1113 C CA   . SER Axp A 72  ? 29.244 74.443 56.201 1   80.813  ? 80  A 1 .
ATOM 1114 C C    . SER Axp A 72  ? 28.699 75.789 56.687 1   84.747  ? 80  A 1 .
ATOM 1115 O O    . SER Axp A 72  ? 27.599 76.19  56.287 1   102.054 ? 80  A 1 .
ATOM 1116 C CB   . SER Axp A 72  ? 29.57  74.438 54.708 1   80.843  ? 80  A 1 .
ATOM 1117 O OG   . SER Axp A 72  ? 30.949 74.658 54.42  1   74.048  ? 80  A 1 .
ATOM 1118 H H    . SER Axp A 72  ? 27.66  73.139 55.905 1   73.138  ? 80  A 1 c
ATOM 1119 H HA   . SER Axp A 72  ? 30.079 74.247 56.699 1   78.466  ? 80  A 1 c
ATOM 1120 H HB3  . SER Axp A 72  ? 29.04  75.129 54.266 1   79.307  ? 80  A 1 c
ATOM 1121 H HB2  . SER Axp A 72  ? 29.302 73.58  54.331 1   79.269  ? 80  A 1 c
ATOM 1122 H HG   . SER Axp A 72  ? 30.912 74.411 53.602 0   56.91   ? 80  A 1 c
ATOM 1123 N N    . CYS Axp A 73  ? 29.423 76.469 57.586 1   69.737  ? 81  A 1 .
ATOM 1124 C CA   . CYS Axp A 73  ? 28.848 77.668 58.174 1   79.857  ? 81  A 1 .
ATOM 1125 C C    . CYS Axp A 73  ? 29.959 78.682 58.387 1   84.015  ? 81  A 1 .
ATOM 1126 O O    . CYS Axp A 73  ? 31.118 78.28  58.375 1   95.962  ? 81  A 1 .
ATOM 1127 C CB   . CYS Axp A 73  ? 28.017 77.363 59.42  1   87.34   ? 81  A 1 .
ATOM 1128 S SG   . CYS Axp A 73  ? 28.927 77.377 60.986 1   91.142  ? 81  A 1 .
ATOM 1129 H H    . CYS Axp A 73  ? 30.259 76.193 57.831 1   75.421  ? 81  A 1 c
ATOM 1130 H HA   . CYS Axp A 73  ? 28.221 78.054 57.511 1   79.995  ? 81  A 1 c
ATOM 1131 H HB3  . CYS Axp A 73  ? 27.604 76.478 59.314 1   86.161  ? 81  A 1 c
ATOM 1132 H HB2  . CYS Axp A 73  ? 27.292 78.023 59.482 1   86.083  ? 81  A 1 c
ATOM 1133 H HG   . CYS Axp A 73  ? 28.095 77.359 61.737 0   90.1    ? 81  A 1 c
ATOM 1134 N N    . TYR Axp A 74  ? 29.571 79.955 58.608 1   76.314  ? 82  A 1 .
ATOM 1135 C CA   . TYR Axp A 74  ? 30.418 81.104 58.311 1   70.483  ? 82  A 1 .
ATOM 1136 C C    . TYR Axp A 74  ? 30.101 82.249 59.252 1   67.278  ? 82  A 1 .
ATOM 1137 O O    . TYR Axp A 74  ? 29.176 82.98  58.953 1   59.46   ? 82  A 1 .
ATOM 1138 C CB   . TYR Axp A 74  ? 30.18  81.669 56.907 1   72.824  ? 82  A 1 .
ATOM 1139 C CG   . TYR Axp A 74  ? 31.138 82.781 56.5   1   83.355  ? 82  A 1 .
ATOM 1140 C CD1  . TYR Axp A 74  ? 30.91  84.108 56.847 1   95.014  ? 82  A 1 .
ATOM 1141 C CD2  . TYR Axp A 74  ? 32.286 82.502 55.771 1   94.787  ? 82  A 1 .
ATOM 1142 C CE1  . TYR Axp A 74  ? 31.788 85.12  56.487 1   100.507 ? 82  A 1 .
ATOM 1143 C CE2  . TYR Axp A 74  ? 33.172 83.505 55.4   1   105.085 ? 82  A 1 .
ATOM 1144 C CZ   . TYR Axp A 74  ? 32.926 84.821 55.762 1   105.13  ? 82  A 1 .
ATOM 1145 O OH   . TYR Axp A 74  ? 33.783 85.838 55.438 1   99.958  ? 82  A 1 .
ATOM 1146 H H    . TYR Axp A 74  ? 28.741 80.106 58.958 1   76.702  ? 82  A 1 c
ATOM 1147 H HA   . TYR Axp A 74  ? 31.367 80.846 58.407 1   71.754  ? 82  A 1 c
ATOM 1148 H HB3  . TYR Axp A 74  ? 29.258 82.005 56.852 1   74.389  ? 82  A 1 c
ATOM 1149 H HB2  . TYR Axp A 74  ? 30.262 80.932 56.261 1   74.518  ? 82  A 1 c
ATOM 1150 H HD1  . TYR Axp A 74  ? 30.138 84.33  57.34  1   92.92   ? 82  A 1 c
ATOM 1151 H HD2  . TYR Axp A 74  ? 32.471 81.61  55.523 1   94.23   ? 82  A 1 c
ATOM 1152 H HE1  . TYR Axp A 74  ? 31.61  86.01  56.735 1   100.1   ? 82  A 1 c
ATOM 1153 H HE2  . TYR Axp A 74  ? 33.95  83.29  54.914 1   102.311 ? 82  A 1 c
ATOM 1154 H HH   . TYR Axp A 74  ? 33.223 86.756 55.865 0   83.02   ? 82  A 1 c
ATOM 1155 N N    . TRP Axp A 75  ? 30.92  82.444 60.303 1   79.209  ? 83  A 1 .
ATOM 1156 C CA   . TRP Axp A 75  ? 30.526 83.186 61.496 1   80.405  ? 83  A 1 .
ATOM 1157 C C    . TRP Axp A 75  ? 31.751 83.642 62.298 1   79.437  ? 83  A 1 .
ATOM 1158 O O    . TRP Axp A 75  ? 32.874 83.504 61.816 1   76.539  ? 83  A 1 .
ATOM 1159 C CB   . TRP Axp A 75  ? 29.612 82.271 62.322 1   86.049  ? 83  A 1 .
ATOM 1160 C CG   . TRP Axp A 75  ? 30.271 80.99  62.77  1   80.796  ? 83  A 1 .
ATOM 1161 C CD1  . TRP Axp A 75  ? 31.582 80.647 62.642 1   76.482  ? 83  A 1 .
ATOM 1162 C CD2  . TRP Axp A 75  ? 29.649 79.903 63.488 1   82.927  ? 83  A 1 .
ATOM 1163 N NE1  . TRP Axp A 75  ? 31.816 79.427 63.213 1   82.95   ? 83  A 1 .
ATOM 1164 C CE2  . TRP Axp A 75  ? 30.659 78.953 63.75  1   81.287  ? 83  A 1 .
ATOM 1165 C CE3  . TRP Axp A 75  ? 28.351 79.646 63.937 1   91.988  ? 83  A 1 .
ATOM 1166 C CZ2  . TRP Axp A 75  ? 30.416 77.764 64.422 1   89.586  ? 83  A 1 .
ATOM 1167 C CZ3  . TRP Axp A 75  ? 28.104 78.465 64.597 1   100.948 ? 83  A 1 .
ATOM 1168 C CH2  . TRP Axp A 75  ? 29.126 77.543 64.84  1   102.44  ? 83  A 1 .
ATOM 1169 H H    . TRP Axp A 75  ? 31.769 82.108 60.261 1   76.411  ? 83  A 1 c
ATOM 1170 H HA   . TRP Axp A 75  ? 30.006 83.987 61.217 1   80.778  ? 83  A 1 c
ATOM 1171 H HB3  . TRP Axp A 75  ? 28.823 82.049 61.784 1   83.41   ? 83  A 1 c
ATOM 1172 H HB2  . TRP Axp A 75  ? 29.301 82.761 63.111 1   83.376  ? 83  A 1 c
ATOM 1173 H HD1  . TRP Axp A 75  ? 32.242 81.161 62.221 1   80.512  ? 83  A 1 c
ATOM 1174 H HE1  . TRP Axp A 75  ? 32.588 79.021 63.235 1   81.078  ? 83  A 1 c
ATOM 1175 H HE3  . TRP Axp A 75  ? 27.657 80.262 63.774 1   91.769  ? 83  A 1 c
ATOM 1176 H HZ2  . TRP Axp A 75  ? 31.103 77.138 64.58  1   90.405  ? 83  A 1 c
ATOM 1177 H HZ3  . TRP Axp A 75  ? 27.233 78.281 64.907 1   98.721  ? 83  A 1 c
ATOM 1178 H HH2  . TRP Axp A 75  ? 28.929 76.752 65.296 1   98.096  ? 83  A 1 c
ATOM 1179 N N    . ASN Axp A 76  ? 31.531 84.171 63.52  1   87.816  ? 84  A 1 .
ATOM 1180 C CA   . ASN Axp A 76  ? 32.606 84.588 64.426 1   96.842  ? 84  A 1 .
ATOM 1181 C C    . ASN Axp A 76  ? 33.193 83.387 65.157 1   82.542  ? 84  A 1 .
ATOM 1182 O O    . ASN Axp A 76  ? 32.571 82.889 66.089 1   74.876  ? 84  A 1 .
ATOM 1183 C CB   . ASN Axp A 76  ? 32.154 85.58  65.497 1   107.976 ? 84  A 1 .
ATOM 1184 C CG   . ASN Axp A 76  ? 32.101 87.009 65.003 1   135.027 ? 84  A 1 .
ATOM 1185 O OD1  . ASN Axp A 76  ? 32.506 87.307 63.87  1   148.266 ? 84  A 1 .
ATOM 1186 N ND2  . ASN Axp A 76  ? 31.603 87.911 65.839 1   135.906 ? 84  A 1 .
ATOM 1187 H H    . ASN Axp A 76  ? 30.668 84.299 63.791 1   87.788  ? 84  A 1 c
ATOM 1188 H HA   . ASN Axp A 76  ? 33.316 85.016 63.896 1   94.303  ? 84  A 1 c
ATOM 1189 H HB3  . ASN Axp A 76  ? 32.769 85.534 66.255 1   110.517 ? 84  A 1 c
ATOM 1190 H HB2  . ASN Axp A 76  ? 31.268 85.323 65.817 1   110.198 ? 84  A 1 c
ATOM 1191 H HD21 . ASN Axp A 76  ? 31.941 88.731 65.858 1   135.585 ? 84  A 1 c
ATOM 1192 H HD22 . ASN Axp A 76  ? 30.933 87.693 66.377 1   135.424 ? 84  A 1 c
ATOM 1193 N N    . ASN Axp A 77  ? 34.407 82.967 64.768 1   83.562  ? 85  A 1 .
ATOM 1194 C CA   . ASN Axp A 77  ? 34.925 81.654 65.139 1   102.367 ? 85  A 1 .
ATOM 1195 C C    . ASN Axp A 77  ? 35.439 81.642 66.575 1   97.185  ? 85  A 1 .
ATOM 1196 O O    . ASN Axp A 77  ? 36.458 81.022 66.854 1   99.105  ? 85  A 1 .
ATOM 1197 C CB   . ASN Axp A 77  ? 36.002 81.138 64.179 1   129.289 ? 85  A 1 .
ATOM 1198 C CG   . ASN Axp A 77  ? 35.432 80.277 63.068 1   159.415 ? 85  A 1 .
ATOM 1199 O OD1  . ASN Axp A 77  ? 35.677 79.059 63.011 1   135.488 ? 85  A 1 .
ATOM 1200 N ND2  . ASN Axp A 77  ? 34.659 80.887 62.177 1   178.066 ? 85  A 1 .
ATOM 1201 H H    . ASN Axp A 77  ? 34.93  83.518 64.258 1   87.614  ? 85  A 1 c
ATOM 1202 H HA   . ASN Axp A 77  ? 34.175 81.019 65.092 1   101.792 ? 85  A 1 c
ATOM 1203 H HB3  . ASN Axp A 77  ? 36.658 80.613 64.678 1   128.166 ? 85  A 1 c
ATOM 1204 H HB2  . ASN Axp A 77  ? 36.468 81.901 63.782 1   128.225 ? 85  A 1 c
ATOM 1205 H HD21 . ASN Axp A 77  ? 34.322 80.428 61.497 1   170.246 ? 85  A 1 c
ATOM 1206 H HD22 . ASN Axp A 77  ? 34.485 81.753 62.26  1   170.213 ? 85  A 1 c
ATOM 1207 N N    . ASP Axp A 78  ? 34.681 82.25  67.488 1   110.984 ? 86  A 1 .
ATOM 1208 C CA   . ASP Axp A 78  ? 35.117 82.412 68.867 1   124.558 ? 86  A 1 .
ATOM 1209 C C    . ASP Axp A 78  ? 33.909 82.628 69.775 1   129.185 ? 86  A 1 .
ATOM 1210 O O    . ASP Axp A 78  ? 33.88  82.072 70.87  1   185.902 ? 86  A 1 .
ATOM 1211 C CB   . ASP Axp A 78  ? 36.101 83.559 69.025 1   121.075 ? 86  A 1 .
ATOM 1212 C CG   . ASP Axp A 78  ? 35.587 84.895 68.515 1   133.143 ? 86  A 1 .
ATOM 1213 O OD1  . ASP Axp A 78  ? 34.547 84.899 67.823 1   136.294 ? 86  A 1 .
ATOM 1214 O OD2  . ASP Axp A 78  ? 36.225 85.918 68.812 1   139.076 ? 86  A 1 .
ATOM 1215 H H    . ASP Axp A 78  ? 33.852 82.549 67.251 1   109.883 ? 86  A 1 c
ATOM 1216 H HA   . ASP Axp A 78  ? 35.57  81.585 69.147 1   121.985 ? 86  A 1 c
ATOM 1217 H HB3  . ASP Axp A 78  ? 36.923 83.34  68.539 1   124.55  ? 86  A 1 c
ATOM 1218 H HB2  . ASP Axp A 78  ? 36.326 83.657 69.974 1   124.569 ? 86  A 1 c
ATOM 1219 N N    . THR Axp A 79  ? 32.926 83.428 69.328 1   102.36  ? 87  A 1 .
ATOM 1220 C CA   . THR Axp A 79  ? 31.696 83.624 70.086 1   95.548  ? 87  A 1 .
ATOM 1221 C C    . THR Axp A 79  ? 30.561 82.768 69.53  1   103.257 ? 87  A 1 .
ATOM 1222 O O    . THR Axp A 79  ? 29.763 82.232 70.301 1   123.493 ? 87  A 1 .
ATOM 1223 C CB   . THR Axp A 79  ? 31.313 85.097 70.094 1   86.683  ? 87  A 1 .
ATOM 1224 O OG1  . THR Axp A 79  ? 30.611 85.328 68.883 1   79.592  ? 87  A 1 .
ATOM 1225 C CG2  . THR Axp A 79  ? 32.544 85.97  70.219 1   96.481  ? 87  A 1 .
ATOM 1226 H H    . THR Axp A 79  ? 33.029 83.873 68.537 1   106.677 ? 87  A 1 c
ATOM 1227 H HA   . THR Axp A 79  ? 31.861 83.35  71.014 1   97.046  ? 87  A 1 c
ATOM 1228 H HB   . THR Axp A 79  ? 30.713 85.276 70.857 1   88.502  ? 87  A 1 c
ATOM 1229 H HG1  . THR Axp A 79  ? 31.356 85.207 68.137 0   75.39   ? 87  A 1 c
ATOM 1230 H HG21 . THR Axp A 79  ? 32.298 86.819 70.623 1   93.559  ? 87  A 1 c
ATOM 1231 H HG22 . THR Axp A 79  ? 32.92  86.13  69.338 1   93.82   ? 87  A 1 c
ATOM 1232 H HG23 . THR Axp A 79  ? 33.204 85.527 70.779 1   93.609  ? 87  A 1 c
ATOM 1233 N N    . ASP Axp A 80  ? 30.498 82.651 68.198 1   105.001 ? 88  A 1 .
ATOM 1234 C CA   . ASP Axp A 80  ? 29.495 81.832 67.533 1   103.284 ? 88  A 1 .
ATOM 1235 C C    . ASP Axp A 80  ? 29.854 80.356 67.667 1   98.277  ? 88  A 1 .
ATOM 1236 O O    . ASP Axp A 80  ? 31.032 80.021 67.747 1   99.677  ? 88  A 1 .
ATOM 1237 C CB   . ASP Axp A 80  ? 29.332 82.25  66.084 1   95.965  ? 88  A 1 .
ATOM 1238 C CG   . ASP Axp A 80  ? 29.095 83.738 65.908 1   82.541  ? 88  A 1 .
ATOM 1239 O OD1  . ASP Axp A 80  ? 28.915 84.418 66.951 1   92.549  ? 88  A 1 .
ATOM 1240 O OD2  . ASP Axp A 80  ? 29.122 84.186 64.749 1   63.072  ? 88  A 1 .
ATOM 1241 H H    . ASP Axp A 80  ? 31.104 83.101 67.684 1   103.95  ? 88  A 1 c
ATOM 1242 H HA   . ASP Axp A 80  ? 28.631 81.981 67.979 1   101.301 ? 88  A 1 c
ATOM 1243 H HB3  . ASP Axp A 80  ? 28.567 81.773 65.702 1   94.224  ? 88  A 1 c
ATOM 1244 H HB2  . ASP Axp A 80  ? 30.133 81.998 65.58  1   94.144  ? 88  A 1 c
ATOM 1245 N N    . GLY Axp A 81  ? 28.819 79.499 67.656 1   92.61   ? 89  A 1 .
ATOM 1246 C CA   . GLY Axp A 81  ? 28.926 78.137 68.155 1   93.64   ? 89  A 1 .
ATOM 1247 C C    . GLY Axp A 81  ? 27.808 77.236 67.634 1   87.329  ? 89  A 1 .
ATOM 1248 O O    . GLY Axp A 81  ? 26.673 77.655 67.503 1   78.719  ? 89  A 1 .
ATOM 1249 H H    . GLY Axp A 81  ? 28.016 79.78  67.321 1   94.229  ? 89  A 1 c
ATOM 1250 H HA3  . GLY Axp A 81  ? 28.898 78.156 69.14  1   92.034  ? 89  A 1 c
ATOM 1251 H HA2  . GLY Axp A 81  ? 29.799 77.766 67.886 1   92.04   ? 89  A 1 c
ATOM 1252 N N    . SER Axp A 82  ? 28.154 75.982 67.35  1   93.201  ? 90  A 1 .
ATOM 1253 C CA   . SER Axp A 82  ? 27.212 74.988 66.879 1   89.707  ? 90  A 1 .
ATOM 1254 C C    . SER Axp A 82  ? 27.157 73.815 67.861 1   106.66  ? 90  A 1 .
ATOM 1255 O O    . SER Axp A 82  ? 28.123 73.489 68.553 1   101.148 ? 90  A 1 .
ATOM 1256 C CB   . SER Axp A 82  ? 27.586 74.523 65.503 1   77.849  ? 90  A 1 .
ATOM 1257 O OG   . SER Axp A 82  ? 27.227 73.161 65.317 1   75.555  ? 90  A 1 .
ATOM 1258 H H    . SER Axp A 82  ? 29.027 75.732 67.457 1   91.054  ? 90  A 1 c
ATOM 1259 H HA   . SER Axp A 82  ? 26.314 75.402 66.837 1   90.848  ? 90  A 1 c
ATOM 1260 H HB3  . SER Axp A 82  ? 28.549 74.622 65.378 1   80.041  ? 90  A 1 c
ATOM 1261 H HB2  . SER Axp A 82  ? 27.131 75.074 64.839 1   79.876  ? 90  A 1 c
ATOM 1262 H HG   . SER Axp A 82  ? 27.532 72.905 64.687 0   50.38   ? 90  A 1 c
ATOM 1263 N N    . CYS Axp A 83  ? 25.988 73.18  67.91  1   108.388 ? 91  A 1 .
ATOM 1264 C CA   . CYS Axp A 83  ? 25.803 71.951 68.656 1   96.053  ? 91  A 1 .
ATOM 1265 C C    . CYS Axp A 83  ? 24.853 71.045 67.883 1   89.512  ? 91  A 1 .
ATOM 1266 O O    . CYS Axp A 83  ? 23.737 71.459 67.601 1   99.431  ? 91  A 1 .
ATOM 1267 C CB   . CYS Axp A 83  ? 25.222 72.254 70.029 1   99.477  ? 91  A 1 .
ATOM 1268 S SG   . CYS Axp A 83  ? 24.698 70.781 70.941 1   100.244 ? 91  A 1 .
ATOM 1269 H H    . CYS Axp A 83  ? 25.273 73.529 67.461 1   104.7   ? 91  A 1 c
ATOM 1270 H HA   . CYS Axp A 83  ? 26.679 71.498 68.747 1   97.748  ? 91  A 1 c
ATOM 1271 H HB3  . CYS Axp A 83  ? 24.445 72.848 69.925 1   98.819  ? 91  A 1 c
ATOM 1272 H HB2  . CYS Axp A 83  ? 25.895 72.729 70.565 1   98.925  ? 91  A 1 c
ATOM 1273 H HG   . CYS Axp A 83  ? 24.226 71.283 71.995 0   78.44   ? 91  A 1 c
ATOM 1274 N N    . THR Axp A 84  ? 25.303 69.825 67.551 1   95.768  ? 92  A 1 .
ATOM 1275 C CA   . THR Axp A 84  ? 24.445 68.813 66.945 1   102.814 ? 92  A 1 .
ATOM 1276 C C    . THR Axp A 84  ? 24.484 67.522 67.761 1   105.016 ? 92  A 1 .
ATOM 1277 O O    . THR Axp A 84  ? 25.548 67.138 68.245 1   101.336 ? 92  A 1 .
ATOM 1278 C CB   . THR Axp A 84  ? 24.872 68.528 65.508 1   102.966 ? 92  A 1 .
ATOM 1279 O OG1  . THR Axp A 84  ? 24.84  69.771 64.814 1   111.306 ? 92  A 1 .
ATOM 1280 C CG2  . THR Axp A 84  ? 23.934 67.542 64.838 1   95.673  ? 92  A 1 .
ATOM 1281 H H    . THR Axp A 84  ? 26.179 69.617 67.708 1   95.776  ? 92  A 1 c
ATOM 1282 H HA   . THR Axp A 84  ? 23.526 69.15  66.934 1   101.676 ? 92  A 1 c
ATOM 1283 H HB   . THR Axp A 84  ? 25.791 68.169 65.496 1   103.122 ? 92  A 1 c
ATOM 1284 H HG1  . THR Axp A 84  ? 24.102 70.173 64.741 0   92.97   ? 92  A 1 c
ATOM 1285 H HG21 . THR Axp A 84  ? 24.003 67.634 63.873 1   97.788  ? 92  A 1 c
ATOM 1286 H HG22 . THR Axp A 84  ? 23.022 67.72  65.114 1   97.799  ? 92  A 1 c
ATOM 1287 H HG23 . THR Axp A 84  ? 24.178 66.636 65.093 1   97.813  ? 92  A 1 c
ATOM 1288 N N    . VAL Axp A 85  ? 23.329 66.839 67.845 1   103.047 ? 93  A 1 .
ATOM 1289 C CA   . VAL Axp A 85  ? 23.212 65.597 68.601 1   106.19  ? 93  A 1 .
ATOM 1290 C C    . VAL Axp A 85  ? 22.37  64.61  67.802 1   103.982 ? 93  A 1 .
ATOM 1291 O O    . VAL Axp A 85  ? 21.517 65.021 67.024 1   79.973  ? 93  A 1 .
ATOM 1292 C CB   . VAL Axp A 85  ? 22.635 65.764 70.022 1   93.39   ? 93  A 1 .
ATOM 1293 C CG1  . VAL Axp A 85  ? 23.614 66.473 70.946 1   90.569  ? 93  A 1 .
ATOM 1294 C CG2  . VAL Axp A 85  ? 21.29  66.472 70.022 1   87.415  ? 93  A 1 .
ATOM 1295 H H    . VAL Axp A 85  ? 22.59  67.159 67.415 1   104.183 ? 93  A 1 c
ATOM 1296 H HA   . VAL Axp A 85  ? 24.108 65.218 68.689 1   102.836 ? 93  A 1 c
ATOM 1297 H HB   . VAL Axp A 85  ? 22.493 64.858 70.383 1   93.968  ? 93  A 1 c
ATOM 1298 H HG11 . VAL Axp A 85  ? 23.753 67.383 70.635 1   91.393  ? 93  A 1 c
ATOM 1299 H HG12 . VAL Axp A 85  ? 24.462 65.998 70.947 1   91.393  ? 93  A 1 c
ATOM 1300 H HG13 . VAL Axp A 85  ? 23.253 66.492 71.848 1   91.393  ? 93  A 1 c
ATOM 1301 H HG21 . VAL Axp A 85  ? 20.88  66.387 70.899 1   89.371  ? 93  A 1 c
ATOM 1302 H HG22 . VAL Axp A 85  ? 20.709 66.071 69.355 1   89.211  ? 93  A 1 c
ATOM 1303 H HG23 . VAL Axp A 85  ? 21.418 67.413 69.815 1   89.197  ? 93  A 1 c
ATOM 1304 N N    . ARG Axp A 86  ? 22.632 63.315 68.033 1   113.631 ? 94  A 1 .
ATOM 1305 C CA   . ARG Axp A 86  ? 21.958 62.219 67.357 1   116.617 ? 94  A 1 .
ATOM 1306 C C    . ARG Axp A 86  ? 21.368 61.259 68.387 1   127.761 ? 94  A 1 .
ATOM 1307 O O    . ARG Axp A 86  ? 21.994 60.926 69.392 1   162.836 ? 94  A 1 .
ATOM 1308 C CB   . ARG Axp A 86  ? 22.908 61.43  66.457 1   118.144 ? 94  A 1 .
ATOM 1309 C CG   . ARG Axp A 86  ? 23.307 62.138 65.171 1   138.513 ? 94  A 1 .
ATOM 1310 C CD   . ARG Axp A 86  ? 24.212 61.291 64.32  1   143.497 ? 94  A 1 .
ATOM 1311 N NE   . ARG Axp A 86  ? 23.479 60.077 63.946 1   155.891 ? 94  A 1 .
ATOM 1312 C CZ   . ARG Axp A 86  ? 23.45  59.525 62.745 1   154.863 ? 94  A 1 .
ATOM 1313 N NH1  . ARG Axp A 86  ? 24.262 59.949 61.792 1   147.076 ? 94  A 1 .
ATOM 1314 N NH2  . ARG Axp A 86  ? 22.633 58.509 62.53  1   143.804 ? 94  A 1 .
ATOM 1315 H H    . ARG Axp A 86  ? 23.27  63.107 68.653 1   111.794 ? 94  A 1 c
ATOM 1316 H HA   . ARG Axp A 86  ? 21.224 62.591 66.806 1   117.891 ? 94  A 1 c
ATOM 1317 H HB3  . ARG Axp A 86  ? 22.479 60.579 66.23  1   122.603 ? 94  A 1 c
ATOM 1318 H HB2  . ARG Axp A 86  ? 23.722 61.224 66.966 1   122.253 ? 94  A 1 c
ATOM 1319 H HG3  . ARG Axp A 86  ? 23.764 62.978 65.391 1   134.484 ? 94  A 1 c
ATOM 1320 H HG2  . ARG Axp A 86  ? 22.503 62.35  64.664 1   133.611 ? 94  A 1 c
ATOM 1321 H HD3  . ARG Axp A 86  ? 25.019 61.048 64.818 1   145.123 ? 94  A 1 c
ATOM 1322 H HD2  . ARG Axp A 86  ? 24.475 61.782 63.515 1   144.977 ? 94  A 1 c
ATOM 1323 H HE   . ARG Axp A 86  ? 23.03  59.665 64.565 1   151.931 ? 94  A 1 c
ATOM 1324 H HH11 . ARG Axp A 86  ? 25.134 59.973 61.934 1   149.063 ? 94  A 1 c
ATOM 1325 H HH12 . ARG Axp A 86  ? 23.926 60.204 61.018 1   148.001 ? 94  A 1 c
ATOM 1326 H HH21 . ARG Axp A 86  ? 22.838 57.709 62.845 1   146.272 ? 94  A 1 c
ATOM 1327 H HH22 . ARG Axp A 86  ? 21.883 58.638 62.08  1   146.012 ? 94  A 1 c
ATOM 1328 N N    . TRP Axp A 87  ? 20.153 60.793 68.096 1   117.229 ? 95  A 1 .
ATOM 1329 C CA   . TRP Axp A 87  ? 19.416 59.889 68.96  1   111.435 ? 95  A 1 .
ATOM 1330 C C    . TRP Axp A 87  ? 18.48  59.062 68.087 1   104.581 ? 95  A 1 .
ATOM 1331 O O    . TRP Axp A 87  ? 17.79  59.6   67.211 1   104.571 ? 95  A 1 .
ATOM 1332 C CB   . TRP Axp A 87  ? 18.632 60.683 70.019 1   122.126 ? 95  A 1 .
ATOM 1333 C CG   . TRP Axp A 87  ? 17.651 59.85  70.8   1   124.644 ? 95  A 1 .
ATOM 1334 C CD1  . TRP Axp A 87  ? 17.904 59.212 71.974 1   138.055 ? 95  A 1 .
ATOM 1335 C CD2  . TRP Axp A 87  ? 16.298 59.499 70.431 1   126.201 ? 95  A 1 .
ATOM 1336 N NE1  . TRP Axp A 87  ? 16.803 58.502 72.369 1   148.761 ? 95  A 1 .
ATOM 1337 C CE2  . TRP Axp A 87  ? 15.807 58.649 71.439 1   138.319 ? 95  A 1 .
ATOM 1338 C CE3  . TRP Axp A 87  ? 15.454 59.808 69.359 1   132.227 ? 95  A 1 .
ATOM 1339 C CZ2  . TRP Axp A 87  ? 14.517 58.117 71.397 1   153.284 ? 95  A 1 .
ATOM 1340 C CZ3  . TRP Axp A 87  ? 14.179 59.284 69.318 1   118.196 ? 95  A 1 .
ATOM 1341 C CH2  . TRP Axp A 87  ? 13.724 58.433 70.316 1   125.919 ? 95  A 1 .
ATOM 1342 H H    . TRP Axp A 87  ? 19.761 61.056 67.313 1   118.17  ? 95  A 1 c
ATOM 1343 H HA   . TRP Axp A 87  ? 20.058 59.283 69.419 1   113.319 ? 95  A 1 c
ATOM 1344 H HB3  . TRP Axp A 87  ? 18.146 61.408 69.57  1   120.194 ? 95  A 1 c
ATOM 1345 H HB2  . TRP Axp A 87  ? 19.272 61.088 70.643 1   120.194 ? 95  A 1 c
ATOM 1346 H HD1  . TRP Axp A 87  ? 18.716 59.249 72.454 1   137.13  ? 95  A 1 c
ATOM 1347 H HE1  . TRP Axp A 87  ? 16.748 58.024 73.097 1   143.449 ? 95  A 1 c
ATOM 1348 H HE3  . TRP Axp A 87  ? 15.756 60.372 68.672 1   127.331 ? 95  A 1 c
ATOM 1349 H HZ2  . TRP Axp A 87  ? 14.206 57.546 72.079 1   142.612 ? 95  A 1 c
ATOM 1350 H HZ3  . TRP Axp A 87  ? 13.616 59.488 68.59  1   123.465 ? 95  A 1 c
ATOM 1351 H HH2  . TRP Axp A 87  ? 12.848 58.093 70.271 1   130.043 ? 95  A 1 c
ATOM 1352 N N    . GLU Axp A 88  ? 18.443 57.754 68.345 1   102.325 ? 96  A 1 .
ATOM 1353 C CA   . GLU Axp A 88  ? 17.582 56.877 67.57  1   138.543 ? 96  A 1 .
ATOM 1354 C C    . GLU Axp A 88  ? 16.894 55.883 68.508 1   164.034 ? 96  A 1 .
ATOM 1355 O O    . GLU Axp A 88  ? 17.363 55.646 69.62  1   146.173 ? 96  A 1 .
ATOM 1356 C CB   . GLU Axp A 88  ? 18.363 56.195 66.439 1   142.523 ? 96  A 1 .
ATOM 1357 C CG   . GLU Axp A 88  ? 19.385 55.17  66.916 1   152.613 ? 96  A 1 .
ATOM 1358 C CD   . GLU Axp A 88  ? 20.792 55.686 67.07  1   163.516 ? 96  A 1 .
ATOM 1359 O OE1  . GLU Axp A 88  ? 21.013 56.558 67.945 1   169.317 ? 96  A 1 .
ATOM 1360 O OE2  . GLU Axp A 88  ? 21.645 55.194 66.303 1   172.376 ? 96  A 1 .
ATOM 1361 H H    . GLU Axp A 88  ? 18.959 57.4   69.011 1   110.464 ? 96  A 1 c
ATOM 1362 H HA   . GLU Axp A 88  ? 16.876 57.432 67.151 1   135.027 ? 96  A 1 c
ATOM 1363 H HB3  . GLU Axp A 88  ? 18.829 56.886 65.926 1   143.301 ? 96  A 1 c
ATOM 1364 H HB2  . GLU Axp A 88  ? 17.727 55.754 65.838 1   143.734 ? 96  A 1 c
ATOM 1365 H HG3  . GLU Axp A 88  ? 19.4   54.423 66.28  1   152.358 ? 96  A 1 c
ATOM 1366 H HG2  . GLU Axp A 88  ? 19.096 54.807 67.779 1   152.579 ? 96  A 1 c
ATOM 1367 N N    . ASN Axp A 89  ? 15.793 55.296 68.017 1   177.654 ? 97  A 1 .
ATOM 1368 C CA   . ASN Axp A 89  ? 15.146 54.138 68.618 1   159.172 ? 97  A 1 .
ATOM 1369 C C    . ASN Axp A 89  ? 15.262 52.985 67.618 1   161.496 ? 97  A 1 .
ATOM 1370 O O    . ASN Axp A 89  ? 16.249 52.88  66.897 1   164.486 ? 97  A 1 .
ATOM 1371 C CB   . ASN Axp A 89  ? 13.72  54.461 69.061 1   155.291 ? 97  A 1 .
ATOM 1372 C CG   . ASN Axp A 89  ? 12.86  54.996 67.942 1   146.09  ? 97  A 1 .
ATOM 1373 O OD1  . ASN Axp A 89  ? 11.765 54.488 67.669 1   133.693 ? 97  A 1 .
ATOM 1374 N ND2  . ASN Axp A 89  ? 13.306 56.071 67.323 1   146.915 ? 97  A 1 .
ATOM 1375 H H    . ASN Axp A 89  ? 15.455 55.618 67.232 1   168.737 ? 97  A 1 c
ATOM 1376 H HA   . ASN Axp A 89  ? 15.651 53.889 69.424 1   162.205 ? 97  A 1 c
ATOM 1377 H HB3  . ASN Axp A 89  ? 13.757 55.129 69.775 1   153.988 ? 97  A 1 c
ATOM 1378 H HB2  . ASN Axp A 89  ? 13.305 53.657 69.429 1   154.021 ? 97  A 1 c
ATOM 1379 H HD21 . ASN Axp A 89  ? 13.372 56.081 66.445 1   146.707 ? 97  A 1 c
ATOM 1380 H HD22 . ASN Axp A 89  ? 13.531 56.789 67.794 1   146.998 ? 97  A 1 c
ATOM 1381 N N    . LYS Axp A 90  ? 14.275 52.085 67.581 1   158.733 ? 98  A 1 .
ATOM 1382 C CA   . LYS Axp A 90  ? 14.301 51.001 66.608 1   144.599 ? 98  A 1 .
ATOM 1383 C C    . LYS Axp A 90  ? 13.306 51.299 65.492 1   117.679 ? 98  A 1 .
ATOM 1384 O O    . LYS Axp A 90  ? 13.166 50.492 64.57  1   100.345 ? 98  A 1 .
ATOM 1385 C CB   . LYS Axp A 90  ? 14.002 49.604 67.166 1   163.239 ? 98  A 1 .
ATOM 1386 C CG   . LYS Axp A 90  ? 15.016 49.043 68.162 1   169.197 ? 98  A 1 .
ATOM 1387 C CD   . LYS Axp A 90  ? 14.836 49.533 69.596 1   160.736 ? 98  A 1 .
ATOM 1388 C CE   . LYS Axp A 90  ? 15.507 48.655 70.601 1   154.33  ? 98  A 1 .
ATOM 1389 N NZ   . LYS Axp A 90  ? 16.928 48.508 70.288 1   158.276 ? 98  A 1 .
ATOM 1390 H H    . LYS Axp A 90  ? 13.588 52.125 68.182 1   155.714 ? 98  A 1 c
ATOM 1391 H HA   . LYS Axp A 90  ? 15.205 50.966 66.207 1   144.795 ? 98  A 1 c
ATOM 1392 H HB3  . LYS Axp A 90  ? 13.936 48.976 66.415 1   159.391 ? 98  A 1 c
ATOM 1393 H HB2  . LYS Axp A 90  ? 13.124 49.629 67.605 1   159.974 ? 98  A 1 c
ATOM 1394 H HG3  . LYS Axp A 90  ? 15.917 49.284 67.855 1   165.823 ? 98  A 1 c
ATOM 1395 H HG2  . LYS Axp A 90  ? 14.951 48.063 68.151 1   165.8   ? 98  A 1 c
ATOM 1396 H HD3  . LYS Axp A 90  ? 13.876 49.576 69.801 1   161.066 ? 98  A 1 c
ATOM 1397 H HD2  . LYS Axp A 90  ? 15.201 50.442 69.671 1   161.053 ? 98  A 1 c
ATOM 1398 H HE3  . LYS Axp A 90  ? 15.087 47.776 70.602 1   156.703 ? 98  A 1 c
ATOM 1399 H HE2  . LYS Axp A 90  ? 15.414 49.042 71.49  1   156.703 ? 98  A 1 c
ATOM 1400 H HZ1  . LYS Axp A 90  ? 17.256 49.28  69.947 1   157.167 ? 98  A 1 c
ATOM 1401 H HZ2  . LYS Axp A 90  ? 17.043 47.842 69.685 1   157.132 ? 98  A 1 c
ATOM 1402 H HZ3  . LYS Axp A 90  ? 17.385 48.303 71.044 1   157.088 ? 98  A 1 c
ATOM 1403 N N    . THR Axp A 91  ? 12.621 52.449 65.59  1   113.807 ? 99  A 1 .
ATOM 1404 C CA   . THR Axp A 91  ? 11.705 52.869 64.539 1   131.249 ? 99  A 1 .
ATOM 1405 C C    . THR Axp A 91  ? 12.422 53.862 63.625 1   135.938 ? 99  A 1 .
ATOM 1406 O O    . THR Axp A 91  ? 12.206 53.849 62.411 1   118.947 ? 99  A 1 .
ATOM 1407 C CB   . THR Axp A 91  ? 10.421 53.498 65.1   1   125.701 ? 99  A 1 .
ATOM 1408 O OG1  . THR Axp A 91  ? 10.131 52.976 66.393 1   122.606 ? 99  A 1 .
ATOM 1409 C CG2  . THR Axp A 91  ? 9.233  53.309 64.17  1   107.755 ? 99  A 1 .
ATOM 1410 H H    . THR Axp A 91  ? 12.71  52.973 66.331 1   119.633 ? 99  A 1 c
ATOM 1411 H HA   . THR Axp A 91  ? 11.457 52.08  64.01  1   126.998 ? 99  A 1 c
ATOM 1412 H HB   . THR Axp A 91  ? 10.568 54.47  65.187 1   122.572 ? 99  A 1 c
ATOM 1413 H HG1  . THR Axp A 91  ? 9.994  52.091 66.316 0   81.32   ? 99  A 1 c
ATOM 1414 H HG21 . THR Axp A 91  ? 8.416  53.548 64.63  1   113.239 ? 99  A 1 c
ATOM 1415 H HG22 . THR Axp A 91  ? 9.183  52.378 63.895 1   113.079 ? 99  A 1 c
ATOM 1416 H HG23 . THR Axp A 91  ? 9.343  53.869 63.384 1   113.419 ? 99  A 1 c
ATOM 1417 N N    . MET Axp A 92  ? 13.253 54.731 64.224 1   122.333 ? 100 A 1 .
ATOM 1418 C CA   . MET Axp A 92  ? 13.51  56.033 63.635 1   134.334 ? 100 A 1 .
ATOM 1419 C C    . MET Axp A 92  ? 14.869 56.586 64.074 1   136.517 ? 100 A 1 .
ATOM 1420 O O    . MET Axp A 92  ? 15.203 56.586 65.256 1   116.887 ? 100 A 1 .
ATOM 1421 C CB   . MET Axp A 92  ? 12.395 57.008 64.043 1   168.093 ? 100 A 1 .
ATOM 1422 C CG   . MET Axp A 92  ? 11.985 57.979 62.958 1   208.712 ? 100 A 1 .
ATOM 1423 S SD   . MET Axp A 92  ? 13.35  58.958 62.304 1   252.778 ? 100 A 1 .
ATOM 1424 C CE   . MET Axp A 92  ? 13.568 60.048 63.72  1   266.998 ? 100 A 1 .
ATOM 1425 H H    . MET Axp A 92  ? 13.678 54.501 64.999 1   128.142 ? 100 A 1 c
ATOM 1426 H HA   . MET Axp A 92  ? 13.513 55.933 62.65  1   138.288 ? 100 A 1 c
ATOM 1427 H HB3  . MET Axp A 92  ? 12.696 57.518 64.824 1   167.535 ? 100 A 1 c
ATOM 1428 H HB2  . MET Axp A 92  ? 11.609 56.488 64.314 1   167.386 ? 100 A 1 c
ATOM 1429 H HG3  . MET Axp A 92  ? 11.307 58.587 63.313 1   205.773 ? 100 A 1 c
ATOM 1430 H HG2  . MET Axp A 92  ? 11.579 57.481 62.221 1   205.522 ? 100 A 1 c
ATOM 1431 H HE3  . MET Axp A 92  ? 14.098 59.595 64.401 1   252.83  ? 100 A 1 c
ATOM 1432 H HE2  . MET Axp A 92  ? 12.695 60.249 64.103 1   254.111 ? 100 A 1 c
ATOM 1433 H HE1  . MET Axp A 92  ? 14.005 60.873 63.443 1   248.907 ? 100 A 1 c
ATOM 1434 N N    . TYR Axp A 93  ? 15.633 57.086 63.093 1   144.347 ? 101 A 1 .
ATOM 1435 C CA   . TYR Axp A 93  ? 16.787 57.951 63.302 1   114.079 ? 101 A 1 .
ATOM 1436 C C    . TYR Axp A 93  ? 16.349 59.393 63.52  1   117.239 ? 101 A 1 .
ATOM 1437 O O    . TYR Axp A 93  ? 15.659 59.906 62.644 1   100.839 ? 101 A 1 .
ATOM 1438 C CB   . TYR Axp A 93  ? 17.637 57.906 62.027 1   92.038  ? 101 A 1 .
ATOM 1439 C CG   . TYR Axp A 93  ? 18.563 56.708 61.995 1   86.231  ? 101 A 1 .
ATOM 1440 C CD1  . TYR Axp A 93  ? 19.316 56.381 63.127 1   102.2   ? 101 A 1 .
ATOM 1441 C CD2  . TYR Axp A 93  ? 18.643 55.888 60.876 1   76.331  ? 101 A 1 .
ATOM 1442 C CE1  . TYR Axp A 93  ? 20.166 55.289 63.137 1   117.389 ? 101 A 1 .
ATOM 1443 C CE2  . TYR Axp A 93  ? 19.49  54.789 60.867 1   89.174  ? 101 A 1 .
ATOM 1444 C CZ   . TYR Axp A 93  ? 20.248 54.492 61.997 1   124.882 ? 101 A 1 .
ATOM 1445 O OH   . TYR Axp A 93  ? 21.079 53.404 62.013 1   154.176 ? 101 A 1 .
ATOM 1446 H H    . TYR Axp A 93  ? 15.414 56.869 62.232 1   134.251 ? 101 A 1 c
ATOM 1447 H HA   . TYR Axp A 93  ? 17.312 57.633 64.08  1   115.105 ? 101 A 1 c
ATOM 1448 H HB3  . TYR Axp A 93  ? 18.175 58.728 61.974 1   95.371  ? 101 A 1 c
ATOM 1449 H HB2  . TYR Axp A 93  ? 17.042 57.877 61.245 1   95.514  ? 101 A 1 c
ATOM 1450 H HD1  . TYR Axp A 93  ? 19.27  56.932 63.889 1   102.209 ? 101 A 1 c
ATOM 1451 H HD2  . TYR Axp A 93  ? 18.134 56.092 60.108 1   82.175  ? 101 A 1 c
ATOM 1452 H HE1  . TYR Axp A 93  ? 20.68  55.087 63.899 1   115.122 ? 101 A 1 c
ATOM 1453 H HE2  . TYR Axp A 93  ? 19.548 54.241 60.103 1   93.4    ? 101 A 1 c
ATOM 1454 H HH   . TYR Axp A 93  ? 21.626 53.306 63.072 0   170.43  ? 101 A 1 c
ATOM 1455 N N    . CYS Axp A 94  ? 16.763 60.029 64.639 1   118.974 ? 102 A 1 .
ATOM 1456 C CA   . CYS Axp A 94  ? 16.488 61.446 64.881 1   122.27  ? 102 A 1 .
ATOM 1457 C C    . CYS Axp A 94  ? 17.755 62.281 65.136 1   115.483 ? 102 A 1 .
ATOM 1458 O O    . CYS Axp A 94  ? 18.705 61.83  65.756 1   124.899 ? 102 A 1 .
ATOM 1459 C CB   . CYS Axp A 94  ? 15.535 61.663 66.043 1   120.225 ? 102 A 1 .
ATOM 1460 S SG   . CYS Axp A 94  ? 14.96  63.379 66.121 1   108.022 ? 102 A 1 .
ATOM 1461 H H    . CYS Axp A 94  ? 17.231 59.561 65.27  1   119.216 ? 102 A 1 c
ATOM 1462 H HA   . CYS Axp A 94  ? 16.047 61.808 64.072 1   120.268 ? 102 A 1 c
ATOM 1463 H HB3  . CYS Axp A 94  ? 15.992 61.446 66.884 1   118.528 ? 102 A 1 c
ATOM 1464 H HB2  . CYS Axp A 94  ? 14.758 61.07  65.95  1   119.599 ? 102 A 1 c
ATOM 1465 H HG   . CYS Axp A 94  ? 14.156 62.87  67.175 0   88.62   ? 102 A 1 c
ATOM 1466 N N    . ILE Axp A 95  ? 17.745 63.535 64.67  1   108.989 ? 103 A 1 .
ATOM 1467 C CA   . ILE Axp A 95  ? 18.958 64.298 64.421 1   105.86  ? 103 A 1 .
ATOM 1468 C C    . ILE Axp A 95  ? 18.631 65.78  64.503 1   111.465 ? 103 A 1 .
ATOM 1469 O O    . ILE Axp A 95  ? 17.857 66.278 63.691 1   126.488 ? 103 A 1 .
ATOM 1470 C CB   . ILE Axp A 95  ? 19.558 63.966 63.043 1   106.9   ? 103 A 1 .
ATOM 1471 C CG1  . ILE Axp A 95  ? 18.552 63.174 62.143 1   118.699 ? 103 A 1 .
ATOM 1472 C CG2  . ILE Axp A 95  ? 20.875 63.226 63.232 1   94.958  ? 103 A 1 .
ATOM 1473 C CD1  . ILE Axp A 95  ? 18.547 63.511 60.659 1   119.746 ? 103 A 1 .
ATOM 1474 H H    . ILE Axp A 95  ? 16.938 63.935 64.511 1   109.995 ? 103 A 1 c
ATOM 1475 H HA   . ILE Axp A 95  ? 19.614 64.08  65.112 1   107.614 ? 103 A 1 c
ATOM 1476 H HB   . ILE Axp A 95  ? 19.755 64.811 62.592 1   106.563 ? 103 A 1 c
ATOM 1477 H HG12 . ILE Axp A 95  ? 17.649 63.323 62.484 1   116.039 ? 103 A 1 c
ATOM 1478 H HG13 . ILE Axp A 95  ? 18.744 62.219 62.238 1   116.038 ? 103 A 1 c
ATOM 1479 H HG21 . ILE Axp A 95  ? 21.228 62.962 62.366 1   98.538  ? 103 A 1 c
ATOM 1480 H HG22 . ILE Axp A 95  ? 20.726 62.435 63.774 1   98.808  ? 103 A 1 c
ATOM 1481 H HG23 . ILE Axp A 95  ? 21.513 63.81  63.675 1   98.924  ? 103 A 1 c
ATOM 1482 H HD11 . ILE Axp A 95  ? 18.82  64.438 60.526 1   119.778 ? 103 A 1 c
ATOM 1483 H HD12 . ILE Axp A 95  ? 17.65  63.38  60.297 1   119.955 ? 103 A 1 c
ATOM 1484 H HD13 . ILE Axp A 95  ? 19.171 62.921 60.195 1   119.602 ? 103 A 1 c
ATOM 1485 N N    . VAL Axp A 96  ? 19.275 66.474 65.448 1   107.529 ? 104 A 1 .
ATOM 1486 C CA   . VAL Axp A 96  ? 18.928 67.851 65.763 1   107.545 ? 104 A 1 .
ATOM 1487 C C    . VAL Axp A 96  ? 20.193 68.666 65.981 1   104.651 ? 104 A 1 .
ATOM 1488 O O    . VAL Axp A 96  ? 21.177 68.152 66.512 1   111.613 ? 104 A 1 .
ATOM 1489 C CB   . VAL Axp A 96  ? 18.04  67.925 67.014 1   123.203 ? 104 A 1 .
ATOM 1490 C CG1  . VAL Axp A 96  ? 17.855 69.361 67.493 1   106.366 ? 104 A 1 .
ATOM 1491 C CG2  . VAL Axp A 96  ? 16.703 67.223 66.792 1   148.443 ? 104 A 1 .
ATOM 1492 H H    . VAL Axp A 96  ? 19.955 66.076 65.911 1   108.408 ? 104 A 1 c
ATOM 1493 H HA   . VAL Axp A 96  ? 18.438 68.23  65.009 1   109.802 ? 104 A 1 c
ATOM 1494 H HB   . VAL Axp A 96  ? 18.512 67.436 67.729 1   121.027 ? 104 A 1 c
ATOM 1495 H HG11 . VAL Axp A 96  ? 17.588 69.921 66.746 1   111.048 ? 104 A 1 c
ATOM 1496 H HG12 . VAL Axp A 96  ? 18.69  69.692 67.863 1   111.014 ? 104 A 1 c
ATOM 1497 H HG13 . VAL Axp A 96  ? 17.167 69.388 68.178 1   111.237 ? 104 A 1 c
ATOM 1498 H HG21 . VAL Axp A 96  ? 15.999 67.704 67.259 1   139.822 ? 104 A 1 c
ATOM 1499 H HG22 . VAL Axp A 96  ? 16.754 66.315 67.134 1   140.189 ? 104 A 1 c
ATOM 1500 H HG23 . VAL Axp A 96  ? 16.502 67.198 65.842 1   139.55  ? 104 A 1 c
ATOM 1501 N N    . SER Axp A 97  ? 20.125 69.943 65.578 1   91.924  ? 105 A 1 .
ATOM 1502 C CA   . SER Axp A 97  ? 21.252 70.852 65.677 1   85.219  ? 105 A 1 .
ATOM 1503 C C    . SER Axp A 97  ? 20.746 72.266 65.937 1   96.369  ? 105 A 1 .
ATOM 1504 O O    . SER Axp A 97  ? 19.611 72.594 65.591 1   103.934 ? 105 A 1 .
ATOM 1505 C CB   . SER Axp A 97  ? 22.115 70.792 64.444 1   74.696  ? 105 A 1 .
ATOM 1506 O OG   . SER Axp A 97  ? 21.32  71.027 63.297 1   89.73   ? 105 A 1 .
ATOM 1507 H H    . SER Axp A 97  ? 19.343 70.256 65.224 1   93.627  ? 105 A 1 c
ATOM 1508 H HA   . SER Axp A 97  ? 21.799 70.577 66.453 1   86.801  ? 105 A 1 c
ATOM 1509 H HB3  . SER Axp A 97  ? 22.527 69.912 64.378 1   80.773  ? 105 A 1 c
ATOM 1510 H HB2  . SER Axp A 97  ? 22.819 71.465 64.502 1   80.668  ? 105 A 1 c
ATOM 1511 H HG   . SER Axp A 97  ? 21.862 71.019 62.434 0   153.27  ? 105 A 1 c
ATOM 1512 N N    . VAL Axp A 98  ? 21.605 73.091 66.558 1   109.031 ? 106 A 1 .
ATOM 1513 C CA   . VAL Axp A 98  ? 21.285 74.484 66.841 1   105.95  ? 106 A 1 .
ATOM 1514 C C    . VAL Axp A 98  ? 22.512 75.361 66.608 1   86.258  ? 106 A 1 .
ATOM 1515 O O    . VAL Axp A 98  ? 23.641 74.94  66.84  1   78.357  ? 106 A 1 .
ATOM 1516 C CB   . VAL Axp A 98  ? 20.762 74.702 68.271 1   132.637 ? 106 A 1 .
ATOM 1517 C CG1  . VAL Axp A 98  ? 20.291 76.139 68.478 1   147.217 ? 106 A 1 .
ATOM 1518 C CG2  . VAL Axp A 98  ? 19.667 73.706 68.627 1   132.926 ? 106 A 1 .
ATOM 1519 H H    . VAL Axp A 98  ? 22.421 72.77  66.815 1   104.74  ? 106 A 1 c
ATOM 1520 H HA   . VAL Axp A 98  ? 20.59  74.764 66.22  1   106.672 ? 106 A 1 c
ATOM 1521 H HB   . VAL Axp A 98  ? 21.519 74.544 68.883 1   129.454 ? 106 A 1 c
ATOM 1522 H HG11 . VAL Axp A 98  ? 19.77  76.426 67.712 1   141.262 ? 106 A 1 c
ATOM 1523 H HG12 . VAL Axp A 98  ? 21.061 76.723 68.582 1   141.633 ? 106 A 1 c
ATOM 1524 H HG13 . VAL Axp A 98  ? 19.741 76.19  69.278 1   142.141 ? 106 A 1 c
ATOM 1525 H HG21 . VAL Axp A 98  ? 19.227 73.984 69.448 1   132.844 ? 106 A 1 c
ATOM 1526 H HG22 . VAL Axp A 98  ? 20.057 72.825 68.753 1   132.625 ? 106 A 1 c
ATOM 1527 H HG23 . VAL Axp A 98  ? 19.016 73.67  67.908 1   132.379 ? 106 A 1 c
ATOM 1528 N N    . PHE Axp A 99  ? 22.258 76.602 66.187 1   82.837  ? 107 A 1 .
ATOM 1529 C CA   . PHE Axp A 99  ? 23.309 77.528 65.819 1   86.222  ? 107 A 1 .
ATOM 1530 C C    . PHE Axp A 99  ? 23.107 78.821 66.584 1   99.704  ? 107 A 1 .
ATOM 1531 O O    . PHE Axp A 99  ? 22.091 79.476 66.404 1   118.501 ? 107 A 1 .
ATOM 1532 C CB   . PHE Axp A 99  ? 23.319 77.827 64.318 1   86.752  ? 107 A 1 .
ATOM 1533 C CG   . PHE Axp A 99  ? 23.826 76.65  63.489 1   102.481 ? 107 A 1 .
ATOM 1534 C CD1  . PHE Axp A 99  ? 22.956 75.624 63.112 1   90.559  ? 107 A 1 .
ATOM 1535 C CD2  . PHE Axp A 99  ? 25.17  76.548 63.112 1   95.979  ? 107 A 1 .
ATOM 1536 C CE1  . PHE Axp A 99  ? 23.403 74.548 62.357 1   64.696  ? 107 A 1 .
ATOM 1537 C CE2  . PHE Axp A 99  ? 25.611 75.46  62.369 1   78.368  ? 107 A 1 .
ATOM 1538 C CZ   . PHE Axp A 99  ? 24.728 74.466 62.004 1   68.597  ? 107 A 1 .
ATOM 1539 H H    . PHE Axp A 99  ? 21.39  76.88  66.119 1   85.452  ? 107 A 1 c
ATOM 1540 H HA   . PHE Axp A 99  ? 24.187 77.137 66.071 1   88.163  ? 107 A 1 c
ATOM 1541 H HB3  . PHE Axp A 99  ? 23.895 78.607 64.154 1   89.991  ? 107 A 1 c
ATOM 1542 H HB2  . PHE Axp A 99  ? 22.406 78.051 64.034 1   89.969  ? 107 A 1 c
ATOM 1543 H HD1  . PHE Axp A 99  ? 22.045 75.675 63.356 1   85.882  ? 107 A 1 c
ATOM 1544 H HD2  . PHE Axp A 99  ? 25.779 77.223 63.364 1   92.481  ? 107 A 1 c
ATOM 1545 H HE1  . PHE Axp A 99  ? 22.803 73.864 62.108 1   71.298  ? 107 A 1 c
ATOM 1546 H HE2  . PHE Axp A 99  ? 26.518 75.401 62.114 1   79.684  ? 107 A 1 c
ATOM 1547 H HZ   . PHE Axp A 99  ? 25.032 73.733 61.493 1   70.24   ? 107 A 1 c
ATOM 1548 N N    . GLY Axp A 100 ? 24.097 79.165 67.415 1   113.548 ? 108 A 1 .
ATOM 1549 C CA   . GLY Axp A 100 ? 24.155 80.442 68.107 1   103.545 ? 108 A 1 .
ATOM 1550 C C    . GLY Axp A 100 ? 25.136 81.376 67.42  1   90.118  ? 108 A 1 .
ATOM 1551 O O    . GLY Axp A 100 ? 26.195 80.932 66.988 1   81.626  ? 108 A 1 .
ATOM 1552 H H    . GLY Axp A 100 ? 24.773 78.568 67.561 1   107.44  ? 108 A 1 c
ATOM 1553 H HA3  . GLY Axp A 100 ? 24.437 80.293 69.039 1   102.594 ? 108 A 1 c
ATOM 1554 H HA2  . GLY Axp A 100 ? 23.26  80.847 68.12  1   102.558 ? 108 A 1 c
ATOM 1555 N N    . LEU Axp A 101 ? 24.749 82.65  67.292 1   94.283  ? 109 A 1 .
ATOM 1556 C CA   . LEU Axp A 101 ? 25.61  83.646 66.679 1   104.759 ? 109 A 1 .
ATOM 1557 C C    . LEU Axp A 101 ? 25.636 84.927 67.514 1   116.297 ? 109 A 1 .
ATOM 1558 O O    . LEU Axp A 101 ? 24.986 85.033 68.55  1   124.656 ? 109 A 1 .
ATOM 1559 C CB   . LEU Axp A 101 ? 25.144 83.887 65.248 1   87.26   ? 109 A 1 .
ATOM 1560 C CG   . LEU Axp A 101 ? 25.089 82.638 64.373 1   73.724  ? 109 A 1 .
ATOM 1561 C CD1  . LEU Axp A 101 ? 23.93  81.798 64.81  1   75.845  ? 109 A 1 .
ATOM 1562 C CD2  . LEU Axp A 101 ? 24.962 82.974 62.9   1   77.604  ? 109 A 1 .
ATOM 1563 H H    . LEU Axp A 101 ? 23.928 82.908 67.603 1   95.564  ? 109 A 1 c
ATOM 1564 H HA   . LEU Axp A 101 ? 26.529 83.282 66.656 1   100.837 ? 109 A 1 c
ATOM 1565 H HB3  . LEU Axp A 101 ? 25.756 84.533 64.827 1   87.727  ? 109 A 1 c
ATOM 1566 H HB2  . LEU Axp A 101 ? 24.247 84.294 65.277 1   87.436  ? 109 A 1 c
ATOM 1567 H HG   . LEU Axp A 101 ? 25.924 82.12  64.509 1   77.185  ? 109 A 1 c
ATOM 1568 H HD11 . LEU Axp A 101 ? 24.256 80.979 65.214 1   75.661  ? 109 A 1 c
ATOM 1569 H HD12 . LEU Axp A 101 ? 23.383 81.574 64.038 1   75.439  ? 109 A 1 c
ATOM 1570 H HD13 . LEU Axp A 101 ? 23.387 82.285 65.451 1   75.873  ? 109 A 1 c
ATOM 1571 H HD21 . LEU Axp A 101 ? 25.734 83.493 62.619 1   76.481  ? 109 A 1 c
ATOM 1572 H HD22 . LEU Axp A 101 ? 24.154 83.492 62.754 1   76.625  ? 109 A 1 c
ATOM 1573 H HD23 . LEU Axp A 101 ? 24.919 82.153 62.381 1   76.491  ? 109 A 1 c
ATOM 1574 N N    . ALA Axp A 102 ? 26.416 85.901 67.043 1   104.026 ? 110 A 1 .
ATOM 1575 C CA   . ALA Axp A 102 ? 26.789 87.045 67.851 1   101.257 ? 110 A 1 .
ATOM 1576 C C    . ALA Axp A 102 ? 25.679 88.09  67.838 1   98.974  ? 110 A 1 .
ATOM 1577 O O    . ALA Axp A 102 ? 24.619 87.856 67.263 1   98.45   ? 110 A 1 .
ATOM 1578 C CB   . ALA Axp A 102 ? 28.109 87.615 67.354 1   105.674 ? 110 A 1 .
ATOM 1579 H H    . ALA Axp A 102 ? 26.732 85.843 66.189 1   105.391 ? 110 A 1 c
ATOM 1580 H HA   . ALA Axp A 102 ? 26.909 86.734 68.791 1   102.341 ? 110 A 1 c
ATOM 1581 H HB3  . ALA Axp A 102 ? 28.645 87.898 68.113 1   104.186 ? 110 A 1 c
ATOM 1582 H HB2  . ALA Axp A 102 ? 27.941 88.382 66.782 1   103.895 ? 110 A 1 c
ATOM 1583 H HB1  . ALA Axp A 102 ? 28.596 86.939 66.856 1   103.954 ? 110 A 1 c
ATOM 1584 N N    . VAL Axp A 103 ? 25.948 89.218 68.518 1   119.577 ? 111 A 1 .
ATOM 1585 C CA   . VAL Axp A 103 ? 25.24  90.483 68.347 1   126.085 ? 111 A 1 .
ATOM 1586 C C    . VAL Axp A 103 ? 23.732 90.212 68.147 1   114.607 ? 111 A 1 .
ATOM 1587 O O    . VAL Axp A 103 ? 23.096 89.91  69.17  1   101.591 ? 111 A 1 .
ATOM 1588 C CB   . VAL Axp A 103 ? 25.869 91.316 67.201 1   122.775 ? 111 A 1 .
ATOM 1589 C CG1  . VAL Axp A 103 ? 25.062 92.574 66.88  1   117.482 ? 111 A 1 .
ATOM 1590 C CG2  . VAL Axp A 103 ? 27.333 91.68  67.47  1   107.963 ? 111 A 1 .
ATOM 1591 O OXT  . VAL Axp A 103 ? 23.241 90.301 66.983 1   90.403  ? 111 A 1 .
ATOM 1592 H H    . VAL Axp A 103 ? 26.621 89.19  69.136 1   115.516 ? 111 A 1 c
ATOM 1593 H HA   . VAL Axp A 103 ? 25.344 90.992 69.175 1   122.029 ? 111 A 1 c
ATOM 1594 H HB   . VAL Axp A 103 ? 25.855 90.747 66.397 1   119.373 ? 111 A 1 c
ATOM 1595 H HG11 . VAL Axp A 103 ? 24.622 92.892 67.686 1   118.99  ? 111 A 1 c
ATOM 1596 H HG12 . VAL Axp A 103 ? 24.392 92.369 66.207 1   118.878 ? 111 A 1 c
ATOM 1597 H HG13 . VAL Axp A 103 ? 25.655 93.266 66.543 1   118.939 ? 111 A 1 c
ATOM 1598 H HG21 . VAL Axp A 103 ? 27.696 92.158 66.705 1   112.166 ? 111 A 1 c
ATOM 1599 H HG22 . VAL Axp A 103 ? 27.848 90.869 67.616 1   112.16  ? 111 A 1 c
ATOM 1600 H HG23 . VAL Axp A 103 ? 27.388 92.244 68.26  1   112.131 ? 111 A 1 c
ATOM 1601 N N    . SER Bxp B 1   ? 24.139 95.877 52.731 1   171.995 ? 8   B 1 .
ATOM 1602 C CA   . SER Bxp B 1   ? 23.098 95.298 51.834 1   155.845 ? 8   B 1 .
ATOM 1603 C C    . SER Bxp B 1   ? 22.106 94.482 52.674 1   155.914 ? 8   B 1 .
ATOM 1604 O O    . SER Bxp B 1   ? 22.077 94.633 53.897 1   129.675 ? 8   B 1 .
ATOM 1605 C CB   . SER Bxp B 1   ? 23.766 94.506 50.72  1   133.201 ? 8   B 1 .
ATOM 1606 O OG   . SER Bxp B 1   ? 22.858 93.688 49.999 0.1 135.022 ? 8   B 1 .
ATOM 1607 H H    . SER Bxp B 1   ? 24.723 96.364 52.246 1   166.608 ? 8   B 1 c
ATOM 1608 H H2   . SER Bxp B 1   ? 24.584 95.214 53.151 1   166.725 ? 8   B 1 c
ATOM 1609 H H3   . SER Bxp B 1   ? 23.751 96.41  53.346 1   166.725 ? 8   B 1 c
ATOM 1610 H HA   . SER Bxp B 1   ? 22.6   96.05  51.422 1   154.259 ? 8   B 1 c
ATOM 1611 H HB3  . SER Bxp B 1   ? 24.464 93.944 51.106 1   138.45  ? 8   B 1 c
ATOM 1612 H HB2  . SER Bxp B 1   ? 24.195 95.128 50.102 1   138.45  ? 8   B 1 c
ATOM 1613 H HG   . SER Bxp B 1   ? 23.589 93.184 49.548 0   116.75  ? 8   B 1 c
ATOM 1614 N N    . GLN Bxp B 2   ? 21.29  93.635 52.022 1   159.669 ? 9   B 1 .
ATOM 1615 C CA   . GLN Bxp B 2   ? 20.375 92.733 52.714 1   155.365 ? 9   B 1 .
ATOM 1616 C C    . GLN Bxp B 2   ? 20.314 91.382 52.001 1   144.624 ? 9   B 1 .
ATOM 1617 O O    . GLN Bxp B 2   ? 21.259 90.984 51.318 1   125.934 ? 9   B 1 .
ATOM 1618 C CB   . GLN Bxp B 2   ? 19.014 93.401 52.933 1   168.523 ? 9   B 1 .
ATOM 1619 C CG   . GLN Bxp B 2   ? 18.754 94.631 52.071 1   165.694 ? 9   B 1 .
ATOM 1620 C CD   . GLN Bxp B 2   ? 18.144 95.753 52.878 1   174.241 ? 9   B 1 .
ATOM 1621 O OE1  . GLN Bxp B 2   ? 18.823 96.711 53.272 1   164.789 ? 9   B 1 .
ATOM 1622 N NE2  . GLN Bxp B 2   ? 16.861 95.606 53.181 1   182.612 ? 9   B 1 .
ATOM 1623 H H    . GLN Bxp B 2   ? 21.308 93.62  51.109 1   157.613 ? 9   B 1 c
ATOM 1624 H HA   . GLN Bxp B 2   ? 20.748 92.57  53.614 1   156.371 ? 9   B 1 c
ATOM 1625 H HB3  . GLN Bxp B 2   ? 18.951 93.661 53.876 1   164.784 ? 9   B 1 c
ATOM 1626 H HB2  . GLN Bxp B 2   ? 18.305 92.752 52.763 1   164.488 ? 9   B 1 c
ATOM 1627 H HG3  . GLN Bxp B 2   ? 18.144 94.394 51.34  1   168.208 ? 9   B 1 c
ATOM 1628 H HG2  . GLN Bxp B 2   ? 19.59  94.946 51.673 1   167.984 ? 9   B 1 c
ATOM 1629 H HE21 . GLN Bxp B 2   ? 16.309 96.297 53.111 1   179.979 ? 9   B 1 c
ATOM 1630 H HE22 . GLN Bxp B 2   ? 16.558 94.819 53.454 1   179.929 ? 9   B 1 c
ATOM 1631 N N    . PHE Bxp B 3   ? 19.197 90.667 52.19  1   152.055 ? 10  B 1 .
ATOM 1632 C CA   . PHE Bxp B 3   ? 19.107 89.268 51.811 1   157.625 ? 10  B 1 .
ATOM 1633 C C    . PHE Bxp B 3   ? 18.065 89.045 50.712 1   130.529 ? 10  B 1 .
ATOM 1634 O O    . PHE Bxp B 3   ? 16.907 88.74  50.994 1   115.991 ? 10  B 1 .
ATOM 1635 C CB   . PHE Bxp B 3   ? 18.793 88.472 53.083 1   156.832 ? 10  B 1 .
ATOM 1636 C CG   . PHE Bxp B 3   ? 18.999 86.976 52.893 1   139.513 ? 10  B 1 .
ATOM 1637 C CD1  . PHE Bxp B 3   ? 20.268 86.415 52.971 1   129.737 ? 10  B 1 .
ATOM 1638 C CD2  . PHE Bxp B 3   ? 17.935 86.133 52.605 1   126.273 ? 10  B 1 .
ATOM 1639 C CE1  . PHE Bxp B 3   ? 20.458 85.051 52.79  1   119.117 ? 10  B 1 .
ATOM 1640 C CE2  . PHE Bxp B 3   ? 18.137 84.769 52.427 1   118.452 ? 10  B 1 .
ATOM 1641 C CZ   . PHE Bxp B 3   ? 19.392 84.229 52.528 1   104.503 ? 10  B 1 .
ATOM 1642 H H    . PHE Bxp B 3   ? 18.468 91.057 52.578 1   151.758 ? 10  B 1 c
ATOM 1643 H HA   . PHE Bxp B 3   ? 19.993 88.973 51.47  1   150.569 ? 10  B 1 c
ATOM 1644 H HB3  . PHE Bxp B 3   ? 17.86  88.64  53.343 1   152.634 ? 10  B 1 c
ATOM 1645 H HB2  . PHE Bxp B 3   ? 19.378 88.788 53.807 1   152.827 ? 10  B 1 c
ATOM 1646 H HD1  . PHE Bxp B 3   ? 21.008 86.969 53.161 1   129.171 ? 10  B 1 c
ATOM 1647 H HD2  . PHE Bxp B 3   ? 17.063 86.489 52.543 1   127.23  ? 10  B 1 c
ATOM 1648 H HE1  . PHE Bxp B 3   ? 21.326 84.687 52.858 1   118.038 ? 10  B 1 c
ATOM 1649 H HE2  . PHE Bxp B 3   ? 17.4   84.209 52.243 1   116.989 ? 10  B 1 c
ATOM 1650 H HZ   . PHE Bxp B 3   ? 19.525 83.304 52.399 1   111.377 ? 10  B 1 c
ATOM 1651 N N    . ILE Bxp B 4   ? 18.509 89.11  49.455 1   104.743 ? 11  B 1 .
ATOM 1652 C CA   . ILE Bxp B 4   ? 17.639 88.826 48.324 1   112.866 ? 11  B 1 .
ATOM 1653 C C    . ILE Bxp B 4   ? 17.415 87.316 48.237 1   110.139 ? 11  B 1 .
ATOM 1654 O O    . ILE Bxp B 4   ? 18.354 86.563 48.026 1   115.197 ? 11  B 1 .
ATOM 1655 C CB   . ILE Bxp B 4   ? 18.236 89.343 47.003 1   119.304 ? 11  B 1 .
ATOM 1656 C CG1  . ILE Bxp B 4   ? 19.078 90.62  47.18  1   120.871 ? 11  B 1 .
ATOM 1657 C CG2  . ILE Bxp B 4   ? 17.126 89.509 45.96  1   116.329 ? 11  B 1 .
ATOM 1658 C CD1  . ILE Bxp B 4   ? 20.266 90.706 46.234 1   118.198 ? 11  B 1 .
ATOM 1659 H H    . ILE Bxp B 4   ? 19.391 89.293 49.303 1   112.97  ? 11  B 1 c
ATOM 1660 H HA   . ILE Bxp B 4   ? 16.78  89.267 48.471 1   111.993 ? 11  B 1 c
ATOM 1661 H HB   . ILE Bxp B 4   ? 18.838 88.652 46.674 1   117.756 ? 11  B 1 c
ATOM 1662 H HG12 . ILE Bxp B 4   ? 19.406 90.669 48.099 1   119.673 ? 11  B 1 c
ATOM 1663 H HG13 . ILE Bxp B 4   ? 18.502 91.396 47.029 1   119.835 ? 11  B 1 c
ATOM 1664 H HG21 . ILE Bxp B 4   ? 17.503 89.864 45.137 1   117.175 ? 11  B 1 c
ATOM 1665 H HG22 . ILE Bxp B 4   ? 16.452 90.124 46.296 1   117.147 ? 11  B 1 c
ATOM 1666 H HG23 . ILE Bxp B 4   ? 16.715 88.647 45.78  1   117.149 ? 11  B 1 c
ATOM 1667 H HD11 . ILE Bxp B 4   ? 20.837 89.923 46.353 1   119.205 ? 11  B 1 c
ATOM 1668 H HD12 . ILE Bxp B 4   ? 20.78  91.513 46.427 1   119.033 ? 11  B 1 c
ATOM 1669 H HD13 . ILE Bxp B 4   ? 19.949 90.738 45.312 1   119.033 ? 11  B 1 c
ATOM 1670 N N    . VAL Bxp B 5   ? 16.16  86.879 48.337 1   109.71  ? 12  B 1 .
ATOM 1671 C CA   . VAL Bxp B 5   ? 15.843 85.469 48.498 1   104.605 ? 12  B 1 .
ATOM 1672 C C    . VAL Bxp B 5   ? 15.986 84.778 47.141 1   101.016 ? 12  B 1 .
ATOM 1673 O O    . VAL Bxp B 5   ? 16.274 83.593 47.11  1   96.451  ? 12  B 1 .
ATOM 1674 C CB   . VAL Bxp B 5   ? 14.443 85.237 49.12  1   110.104 ? 12  B 1 .
ATOM 1675 C CG1  . VAL Bxp B 5   ? 14.308 83.899 49.837 1   94.695  ? 12  B 1 .
ATOM 1676 C CG2  . VAL Bxp B 5   ? 14.043 86.332 50.105 1   118.098 ? 12  B 1 .
ATOM 1677 H H    . VAL Bxp B 5   ? 15.474 87.481 48.28  1   108.808 ? 12  B 1 c
ATOM 1678 H HA   . VAL Bxp B 5   ? 16.505 85.082 49.103 1   105.953 ? 12  B 1 c
ATOM 1679 H HB   . VAL Bxp B 5   ? 13.79  85.248 48.38  1   107.396 ? 12  B 1 c
ATOM 1680 H HG11 . VAL Bxp B 5   ? 14.786 83.934 50.683 1   99.125  ? 12  B 1 c
ATOM 1681 H HG12 . VAL Bxp B 5   ? 14.685 83.195 49.283 1   99.047  ? 12  B 1 c
ATOM 1682 H HG13 . VAL Bxp B 5   ? 13.369 83.712 50.003 1   99.125  ? 12  B 1 c
ATOM 1683 H HG21 . VAL Bxp B 5   ? 13.359 85.994 50.709 1   115.4   ? 12  B 1 c
ATOM 1684 H HG22 . VAL Bxp B 5   ? 13.691 87.096 49.618 1   115.564 ? 12  B 1 c
ATOM 1685 H HG23 . VAL Bxp B 5   ? 14.82  86.607 50.62  1   115.579 ? 12  B 1 c
ATOM 1686 N N    . ASP Bxp B 6   ? 15.797 85.5   46.026 1   117.028 ? 13  B 1 .
ATOM 1687 C CA   . ASP Bxp B 6   ? 15.991 84.924 44.697 1   123.308 ? 13  B 1 .
ATOM 1688 C C    . ASP Bxp B 6   ? 17.485 84.793 44.393 1   108.593 ? 13  B 1 .
ATOM 1689 O O    . ASP Bxp B 6   ? 17.942 83.8   43.829 1   87.211  ? 13  B 1 .
ATOM 1690 C CB   . ASP Bxp B 6   ? 15.268 85.711 43.61  1   131.95  ? 13  B 1 .
ATOM 1691 C CG   . ASP Bxp B 6   ? 13.748 85.589 43.573 1   138.114 ? 13  B 1 .
ATOM 1692 O OD1  . ASP Bxp B 6   ? 13.163 85.176 44.597 1   147.152 ? 13  B 1 .
ATOM 1693 O OD2  . ASP Bxp B 6   ? 13.159 85.88  42.507 1   133.37  ? 13  B 1 .
ATOM 1694 H H    . ASP Bxp B 6   ? 15.531 86.372 46.092 1   114.437 ? 13  B 1 c
ATOM 1695 H HA   . ASP Bxp B 6   ? 15.6   84.021 44.698 1   120.633 ? 13  B 1 c
ATOM 1696 H HB3  . ASP Bxp B 6   ? 15.611 85.422 42.738 1   131.137 ? 13  B 1 c
ATOM 1697 H HB2  . ASP Bxp B 6   ? 15.49  86.659 43.717 1   131.152 ? 13  B 1 c
ATOM 1698 N N    . ASP Bxp B 7   ? 18.253 85.801 44.812 1   112.043 ? 14  B 1 .
ATOM 1699 C CA   . ASP Bxp B 7   ? 19.69  85.801 44.609 1   117.1   ? 14  B 1 .
ATOM 1700 C C    . ASP Bxp B 7   ? 20.364 84.823 45.575 1   116.488 ? 14  B 1 .
ATOM 1701 O O    . ASP Bxp B 7   ? 21.57  84.907 45.81  1   124.091 ? 14  B 1 .
ATOM 1702 C CB   . ASP Bxp B 7   ? 20.252 87.217 44.656 1   117.632 ? 14  B 1 .
ATOM 1703 C CG   . ASP Bxp B 7   ? 20.115 88.024 43.367 1   118.683 ? 14  B 1 .
ATOM 1704 O OD1  . ASP Bxp B 7   ? 18.975 88.353 43.009 1   139.554 ? 14  B 1 .
ATOM 1705 O OD2  . ASP Bxp B 7   ? 21.144 88.286 42.692 1   100.041 ? 14  B 1 .
ATOM 1706 H H    . ASP Bxp B 7   ? 17.868 86.515 45.233 1   112.506 ? 14  B 1 c
ATOM 1707 H HA   . ASP Bxp B 7   ? 19.862 85.48  43.694 1   115.885 ? 14  B 1 c
ATOM 1708 H HB3  . ASP Bxp B 7   ? 21.206 87.175 44.875 1   117.659 ? 14  B 1 c
ATOM 1709 H HB2  . ASP Bxp B 7   ? 19.808 87.71  45.371 1   117.704 ? 14  B 1 c
ATOM 1710 N N    . VAL Bxp B 8   ? 19.586 83.888 46.134 1   117.554 ? 15  B 1 .
ATOM 1711 C CA   . VAL Bxp B 8   ? 20.127 82.735 46.845 1   98.79   ? 15  B 1 .
ATOM 1712 C C    . VAL Bxp B 8   ? 19.624 81.447 46.203 1   94.93   ? 15  B 1 .
ATOM 1713 O O    . VAL Bxp B 8   ? 20.396 80.499 46.04  1   84.357  ? 15  B 1 .
ATOM 1714 C CB   . VAL Bxp B 8   ? 19.761 82.728 48.338 1   84.622  ? 15  B 1 .
ATOM 1715 C CG1  . VAL Bxp B 8   ? 19.977 81.355 48.945 1   86.696  ? 15  B 1 .
ATOM 1716 C CG2  . VAL Bxp B 8   ? 20.518 83.789 49.115 1   80.609  ? 15  B 1 .
ATOM 1717 H H    . VAL Bxp B 8   ? 18.68  83.995 46.115 1   112.469 ? 15  B 1 c
ATOM 1718 H HA   . VAL Bxp B 8   ? 21.1   82.754 46.768 1   98.693  ? 15  B 1 c
ATOM 1719 H HB   . VAL Bxp B 8   ? 18.799 82.937 48.402 1   86.693  ? 15  B 1 c
ATOM 1720 H HG11 . VAL Bxp B 8   ? 20.904 81.086 48.824 1   85.948  ? 15  B 1 c
ATOM 1721 H HG12 . VAL Bxp B 8   ? 19.393 80.709 48.516 1   85.849  ? 15  B 1 c
ATOM 1722 H HG13 . VAL Bxp B 8   ? 19.771 81.392 49.89  1   85.834  ? 15  B 1 c
ATOM 1723 H HG21 . VAL Bxp B 8   ? 20.496 83.577 50.063 1   81.958  ? 15  B 1 c
ATOM 1724 H HG22 . VAL Bxp B 8   ? 20.103 84.656 48.969 1   81.839  ? 15  B 1 c
ATOM 1725 H HG23 . VAL Bxp B 8   ? 21.441 83.818 48.813 1   81.922  ? 15  B 1 c
ATOM 1726 N N    . SER Bxp B 9   ? 18.312 81.421 45.909 1   97.971  ? 16  B 1 .
ATOM 1727 C CA   . SER Bxp B 9   ? 17.635 80.237 45.41  1   91.905  ? 16  B 1 .
ATOM 1728 C C    . SER Bxp B 9   ? 18.106 79.925 43.988 1   92.818  ? 16  B 1 .
ATOM 1729 O O    . SER Bxp B 9   ? 18.224 78.758 43.616 1   89.129  ? 16  B 1 .
ATOM 1730 C CB   . SER Bxp B 9   ? 16.154 80.421 45.478 1   90.65   ? 16  B 1 .
ATOM 1731 O OG   . SER Bxp B 9   ? 15.686 81.082 44.312 1   113.741 ? 16  B 1 .
ATOM 1732 H H    . SER Bxp B 9   ? 17.818 82.178 46.037 1   96.12   ? 16  B 1 c
ATOM 1733 H HA   . SER Bxp B 9   ? 17.882 79.474 45.991 1   92.947  ? 16  B 1 c
ATOM 1734 H HB3  . SER Bxp B 9   ? 15.925 80.95  46.264 1   96.061  ? 16  B 1 c
ATOM 1735 H HB2  . SER Bxp B 9   ? 15.721 79.549 45.556 1   95.999  ? 16  B 1 c
ATOM 1736 H HG   . SER Bxp B 9   ? 14.795 81.197 44.357 0   128.54  ? 16  B 1 c
ATOM 1737 N N    . LYS Bxp B 10  ? 18.399 80.98  43.215 1   97.975  ? 17  B 1 .
ATOM 1738 C CA   . LYS Bxp B 10  ? 18.995 80.838 41.897 1   110.775 ? 17  B 1 .
ATOM 1739 C C    . LYS Bxp B 10  ? 20.434 80.344 42.044 1   101.734 ? 17  B 1 .
ATOM 1740 O O    . LYS Bxp B 10  ? 20.968 79.662 41.161 1   82.135  ? 17  B 1 .
ATOM 1741 C CB   . LYS Bxp B 10  ? 18.959 82.166 41.124 1   129.323 ? 17  B 1 .
ATOM 1742 C CG   . LYS Bxp B 10  ? 18.513 82.034 39.663 1   133.382 ? 17  B 1 .
ATOM 1743 C CD   . LYS Bxp B 10  ? 16.998 81.907 39.498 1   127.383 ? 17  B 1 .
ATOM 1744 C CE   . LYS Bxp B 10  ? 16.552 81.006 38.376 1   120.192 ? 17  B 1 .
ATOM 1745 N NZ   . LYS Bxp B 10  ? 16.615 79.573 38.7   1   107.555 ? 17  B 1 .
ATOM 1746 H H    . LYS Bxp B 10  ? 18.215 81.82  43.523 1   99.761  ? 17  B 1 c
ATOM 1747 H HA   . LYS Bxp B 10  ? 18.478 80.16  41.392 1   109.419 ? 17  B 1 c
ATOM 1748 H HB3  . LYS Bxp B 10  ? 19.854 82.569 41.14  1   125.461 ? 17  B 1 c
ATOM 1749 H HB2  . LYS Bxp B 10  ? 18.347 82.783 41.577 1   125.037 ? 17  B 1 c
ATOM 1750 H HG3  . LYS Bxp B 10  ? 18.946 81.243 39.274 1   131.011 ? 17  B 1 c
ATOM 1751 H HG2  . LYS Bxp B 10  ? 18.825 82.822 39.168 1   131.062 ? 17  B 1 c
ATOM 1752 H HD3  . LYS Bxp B 10  ? 16.626 82.803 39.348 1   127.008 ? 17  B 1 c
ATOM 1753 H HD2  . LYS Bxp B 10  ? 16.619 81.571 40.34  1   127.017 ? 17  B 1 c
ATOM 1754 H HE3  . LYS Bxp B 10  ? 17.112 81.172 37.596 1   118.633 ? 17  B 1 c
ATOM 1755 H HE2  . LYS Bxp B 10  ? 15.635 81.23  38.135 1   118.633 ? 17  B 1 c
ATOM 1756 H HZ1  . LYS Bxp B 10  ? 15.854 79.325 39.125 1   111.747 ? 17  B 1 c
ATOM 1757 H HZ2  . LYS Bxp B 10  ? 17.327 79.409 39.235 1   111.635 ? 17  B 1 c
ATOM 1758 H HZ3  . LYS Bxp B 10  ? 16.699 79.091 37.938 1   111.447 ? 17  B 1 c
ATOM 1759 N N    . THR Bxp B 11  ? 21.052 80.729 43.169 1   106.039 ? 18  B 1 .
ATOM 1760 C CA   . THR Bxp B 11  ? 22.453 80.44  43.448 1   102.384 ? 18  B 1 .
ATOM 1761 C C    . THR Bxp B 11  ? 22.586 79.022 43.976 1   78.597  ? 18  B 1 .
ATOM 1762 O O    . THR Bxp B 11  ? 23.551 78.342 43.668 1   98.096  ? 18  B 1 .
ATOM 1763 C CB   . THR Bxp B 11  ? 23.027 81.443 44.45  1   94.97   ? 18  B 1 .
ATOM 1764 O OG1  . THR Bxp B 11  ? 23.144 82.69  43.764 1   108.522 ? 18  B 1 .
ATOM 1765 C CG2  . THR Bxp B 11  ? 24.361 80.983 45.002 1   70.818  ? 18  B 1 .
ATOM 1766 H H    . THR Bxp B 11  ? 20.583 81.215 43.783 1   103.886 ? 18  B 1 c
ATOM 1767 H HA   . THR Bxp B 11  ? 22.958 80.514 42.609 1   96.768  ? 18  B 1 c
ATOM 1768 H HB   . THR Bxp B 11  ? 22.4   81.551 45.205 1   93.556  ? 18  B 1 c
ATOM 1769 H HG1  . THR Bxp B 11  ? 23.82  82.611 43.027 0   67.26   ? 18  B 1 c
ATOM 1770 H HG21 . THR Bxp B 11  ? 24.698 81.658 45.61  1   77.529  ? 18  B 1 c
ATOM 1771 H HG22 . THR Bxp B 11  ? 24.991 80.858 44.272 1   77.429  ? 18  B 1 c
ATOM 1772 H HG23 . THR Bxp B 11  ? 24.249 80.146 45.482 1   77.439  ? 18  B 1 c
ATOM 1773 N N    . ILE Bxp B 12  ? 21.644 78.621 44.819 1   69.589  ? 19  B 1 .
ATOM 1774 C CA   . ILE Bxp B 12  ? 21.55  77.246 45.264 1   76.431  ? 19  B 1 .
ATOM 1775 C C    . ILE Bxp B 12  ? 21.324 76.325 44.062 1   89.678  ? 19  B 1 .
ATOM 1776 O O    . ILE Bxp B 12  ? 22.04  75.341 43.869 1   86.965  ? 19  B 1 .
ATOM 1777 C CB   . ILE Bxp B 12  ? 20.414 77.083 46.29  1   69.828  ? 19  B 1 .
ATOM 1778 C CG1  . ILE Bxp B 12  ? 20.687 77.791 47.611 1   60.724  ? 19  B 1 .
ATOM 1779 C CG2  . ILE Bxp B 12  ? 20.119 75.603 46.504 1   76.458  ? 19  B 1 .
ATOM 1780 C CD1  . ILE Bxp B 12  ? 19.522 77.718 48.585 1   59.53   ? 19  B 1 .
ATOM 1781 H H    . ILE Bxp B 12  ? 21.038 79.227 45.136 1   73.426  ? 19  B 1 c
ATOM 1782 H HA   . ILE Bxp B 12  ? 22.393 77     45.693 1   76.114  ? 19  B 1 c
ATOM 1783 H HB   . ILE Bxp B 12  ? 19.613 77.489 45.903 1   70.298  ? 19  B 1 c
ATOM 1784 H HG12 . ILE Bxp B 12  ? 20.894 78.729 47.433 1   62.636  ? 19  B 1 c
ATOM 1785 H HG13 . ILE Bxp B 12  ? 21.473 77.384 48.029 1   62.452  ? 19  B 1 c
ATOM 1786 H HG21 . ILE Bxp B 12  ? 19.566 75.493 47.294 1   74.257  ? 19  B 1 c
ATOM 1787 H HG22 . ILE Bxp B 12  ? 20.952 75.118 46.624 1   74.514  ? 19  B 1 c
ATOM 1788 H HG23 . ILE Bxp B 12  ? 19.646 75.248 45.733 1   74.494  ? 19  B 1 c
ATOM 1789 H HD11 . ILE Bxp B 12  ? 18.684 77.744 48.087 1   60.41   ? 19  B 1 c
ATOM 1790 H HD12 . ILE Bxp B 12  ? 19.558 78.479 49.194 1   60.265  ? 19  B 1 c
ATOM 1791 H HD13 . ILE Bxp B 12  ? 19.569 76.889 49.098 1   60.142  ? 19  B 1 c
ATOM 1792 N N    . LYS Bxp B 13  ? 20.272 76.608 43.29  1   98.029  ? 20  B 1 .
ATOM 1793 C CA   . LYS Bxp B 13  ? 19.879 75.728 42.207 1   97.236  ? 20  B 1 .
ATOM 1794 C C    . LYS Bxp B 13  ? 21.112 75.306 41.407 1   95.849  ? 20  B 1 .
ATOM 1795 O O    . LYS Bxp B 13  ? 21.344 74.112 41.219 1   78.215  ? 20  B 1 .
ATOM 1796 C CB   . LYS Bxp B 13  ? 18.842 76.418 41.319 1   110.857 ? 20  B 1 .
ATOM 1797 C CG   . LYS Bxp B 13  ? 17.387 76.229 41.699 1   123.562 ? 20  B 1 .
ATOM 1798 C CD   . LYS Bxp B 13  ? 16.456 76.824 40.644 1   137.289 ? 20  B 1 .
ATOM 1799 C CE   . LYS Bxp B 13  ? 15.026 76.399 40.794 1   150.149 ? 20  B 1 .
ATOM 1800 N NZ   . LYS Bxp B 13  ? 14.202 76.772 39.639 1   152.37  ? 20  B 1 .
ATOM 1801 H H    . LYS Bxp B 13  ? 19.784 77.364 43.448 1   95.664  ? 20  B 1 c
ATOM 1802 H HA   . LYS Bxp B 13  ? 19.467 74.918 42.601 1   99.346  ? 20  B 1 c
ATOM 1803 H HB3  . LYS Bxp B 13  ? 18.96  76.092 40.401 1   110.358 ? 20  B 1 c
ATOM 1804 H HB2  . LYS Bxp B 13  ? 19.032 77.381 41.313 1   110.15  ? 20  B 1 c
ATOM 1805 H HG3  . LYS Bxp B 13  ? 17.221 76.661 42.564 1   123.225 ? 20  B 1 c
ATOM 1806 H HG2  . LYS Bxp B 13  ? 17.203 75.268 41.791 1   123.525 ? 20  B 1 c
ATOM 1807 H HD3  . LYS Bxp B 13  ? 16.775 76.562 39.753 1   136.491 ? 20  B 1 c
ATOM 1808 H HD2  . LYS Bxp B 13  ? 16.504 77.802 40.703 1   136.255 ? 20  B 1 c
ATOM 1809 H HE3  . LYS Bxp B 13  ? 14.651 76.811 41.593 1   147.586 ? 20  B 1 c
ATOM 1810 H HE2  . LYS Bxp B 13  ? 14.988 75.433 40.908 1   147.45  ? 20  B 1 c
ATOM 1811 H HZ1  . LYS Bxp B 13  ? 14.556 76.42  38.883 1   151.503 ? 20  B 1 c
ATOM 1812 H HZ2  . LYS Bxp B 13  ? 14.173 77.675 39.561 1   151.346 ? 20  B 1 c
ATOM 1813 H HZ3  . LYS Bxp B 13  ? 13.36  76.456 39.748 1   151.585 ? 20  B 1 c
ATOM 1814 N N    . GLU Bxp B 14  ? 21.883 76.288 40.918 1   98.255  ? 21  B 1 .
ATOM 1815 C CA   . GLU Bxp B 14  ? 23.068 76.007 40.132 1   97.816  ? 21  B 1 .
ATOM 1816 C C    . GLU Bxp B 14  ? 23.903 74.959 40.843 1   100.728 ? 21  B 1 .
ATOM 1817 O O    . GLU Bxp B 14  ? 24.336 73.997 40.217 1   116.454 ? 21  B 1 .
ATOM 1818 C CB   . GLU Bxp B 14  ? 23.981 77.218 39.948 1   121.453 ? 21  B 1 .
ATOM 1819 C CG   . GLU Bxp B 14  ? 23.596 78.108 38.768 1   153.588 ? 21  B 1 .
ATOM 1820 C CD   . GLU Bxp B 14  ? 24.782 78.688 37.998 1   164.916 ? 21  B 1 .
ATOM 1821 O OE1  . GLU Bxp B 14  ? 25.634 77.893 37.511 1   145.904 ? 21  B 1 .
ATOM 1822 O OE2  . GLU Bxp B 14  ? 24.849 79.937 37.868 1   160.287 ? 21  B 1 .
ATOM 1823 H H    . GLU Bxp B 14  ? 21.658 77.159 41.08  1   97.878  ? 21  B 1 c
ATOM 1824 H HA   . GLU Bxp B 14  ? 22.789 75.655 39.249 1   102.7   ? 21  B 1 c
ATOM 1825 H HB3  . GLU Bxp B 14  ? 24.901 76.905 39.823 1   122.102 ? 21  B 1 c
ATOM 1826 H HB2  . GLU Bxp B 14  ? 23.958 77.755 40.767 1   121.824 ? 21  B 1 c
ATOM 1827 H HG3  . GLU Bxp B 14  ? 23.047 78.851 39.098 1   147.887 ? 21  B 1 c
ATOM 1828 H HG2  . GLU Bxp B 14  ? 23.045 77.59  38.143 1   147.23  ? 21  B 1 c
ATOM 1829 N N    . ALA Bxp B 15  ? 24.128 75.177 42.145 1   106.688 ? 22  B 1 .
ATOM 1830 C CA   . ALA Bxp B 15  ? 24.914 74.267 42.97  1   107.64  ? 22  B 1 .
ATOM 1831 C C    . ALA Bxp B 15  ? 24.361 72.841 42.882 1   93.538  ? 22  B 1 .
ATOM 1832 O O    . ALA Bxp B 15  ? 25.068 71.932 42.438 1   75.784  ? 22  B 1 .
ATOM 1833 C CB   . ALA Bxp B 15  ? 24.972 74.779 44.397 1   112.495 ? 22  B 1 .
ATOM 1834 H H    . ALA Bxp B 15  ? 23.781 75.928 42.533 1   105.425 ? 22  B 1 c
ATOM 1835 H HA   . ALA Bxp B 15  ? 25.841 74.253 42.603 1   105.364 ? 22  B 1 c
ATOM 1836 H HB3  . ALA Bxp B 15  ? 25.794 74.478 44.818 1   110.862 ? 22  B 1 c
ATOM 1837 H HB2  . ALA Bxp B 15  ? 24.213 74.441 44.901 1   110.357 ? 22  B 1 c
ATOM 1838 H HB1  . ALA Bxp B 15  ? 24.95  75.751 44.399 1   110.809 ? 22  B 1 c
ATOM 1839 N N    . ILE Bxp B 16  ? 23.084 72.665 43.253 1   81.138  ? 23  B 1 .
ATOM 1840 C CA   . ILE Bxp B 16  ? 22.427 71.37  43.142 1   83.59   ? 23  B 1 .
ATOM 1841 C C    . ILE Bxp B 16  ? 22.66  70.758 41.752 1   85.694  ? 23  B 1 .
ATOM 1842 O O    . ILE Bxp B 16  ? 23.138 69.628 41.657 1   83.763  ? 23  B 1 .
ATOM 1843 C CB   . ILE Bxp B 16  ? 20.915 71.452 43.445 1   79.699  ? 23  B 1 .
ATOM 1844 C CG1  . ILE Bxp B 16  ? 20.586 72.007 44.815 1   71.493  ? 23  B 1 .
ATOM 1845 C CG2  . ILE Bxp B 16  ? 20.289 70.073 43.275 1   73.536  ? 23  B 1 .
ATOM 1846 C CD1  . ILE Bxp B 16  ? 21.253 71.224 45.92  1   80.386  ? 23  B 1 .
ATOM 1847 H H    . ILE Bxp B 16  ? 22.609 73.377 43.572 1   84.744  ? 23  B 1 c
ATOM 1848 H HA   . ILE Bxp B 16  ? 22.833 70.775 43.801 1   82.678  ? 23  B 1 c
ATOM 1849 H HB   . ILE Bxp B 16  ? 20.513 72.046 42.781 1   77.593  ? 23  B 1 c
ATOM 1850 H HG12 . ILE Bxp B 16  ? 19.616 71.984 44.946 1   75.304  ? 23  B 1 c
ATOM 1851 H HG13 . ILE Bxp B 16  ? 20.877 72.941 44.862 1   75.379  ? 23  B 1 c
ATOM 1852 H HG21 . ILE Bxp B 16  ? 19.516 69.991 43.858 1   75.387  ? 23  B 1 c
ATOM 1853 H HG22 . ILE Bxp B 16  ? 20.937 69.387 43.505 1   75.659  ? 23  B 1 c
ATOM 1854 H HG23 . ILE Bxp B 16  ? 20.008 69.954 42.352 1   75.428  ? 23  B 1 c
ATOM 1855 H HD11 . ILE Bxp B 16  ? 21.468 70.321 45.621 1   77.651  ? 23  B 1 c
ATOM 1856 H HD12 . ILE Bxp B 16  ? 20.655 71.174 46.689 1   77.647  ? 23  B 1 c
ATOM 1857 H HD13 . ILE Bxp B 16  ? 22.075 71.682 46.179 1   77.446  ? 23  B 1 c
ATOM 1858 N N    . GLU Bxp B 17  ? 22.296 71.488 40.682 1   84.792  ? 24  B 1 .
ATOM 1859 C CA   . GLU Bxp B 17  ? 22.322 70.948 39.325 1   98.136  ? 24  B 1 .
ATOM 1860 C C    . GLU Bxp B 17  ? 23.767 70.676 38.894 1   92.082  ? 24  B 1 .
ATOM 1861 O O    . GLU Bxp B 17  ? 24.004 69.832 38.019 1   86.813  ? 24  B 1 .
ATOM 1862 C CB   . GLU Bxp B 17  ? 21.613 71.837 38.296 1   110.736 ? 24  B 1 .
ATOM 1863 C CG   . GLU Bxp B 17  ? 21.113 71.088 37.052 1   125.196 ? 24  B 1 .
ATOM 1864 C CD   . GLU Bxp B 17  ? 19.838 70.235 37.169 1   126.231 ? 24  B 1 .
ATOM 1865 O OE1  . GLU Bxp B 17  ? 18.811 70.783 37.608 1   122.099 ? 24  B 1 .
ATOM 1866 O OE2  . GLU Bxp B 17  ? 19.82  69.035 36.805 1   102.309 ? 24  B 1 .
ATOM 1867 H H    . GLU Bxp B 17  ? 22.022 72.351 40.805 1   88.061  ? 24  B 1 c
ATOM 1868 H HA   . GLU Bxp B 17  ? 21.843 70.08  39.339 1   96.275  ? 24  B 1 c
ATOM 1869 H HB3  . GLU Bxp B 17  ? 22.23  72.543 38.012 1   110.63  ? 24  B 1 c
ATOM 1870 H HB2  . GLU Bxp B 17  ? 20.847 72.268 38.73  1   110.589 ? 24  B 1 c
ATOM 1871 H HG3  . GLU Bxp B 17  ? 21.834 70.503 36.737 1   121.597 ? 24  B 1 c
ATOM 1872 H HG2  . GLU Bxp B 17  ? 20.964 71.747 36.341 1   121.901 ? 24  B 1 c
ATOM 1873 N N    . THR Bxp B 18  ? 24.727 71.392 39.505 1   86.49   ? 25  B 1 .
ATOM 1874 C CA   . THR Bxp B 18  ? 26.138 71.193 39.2   1   94.444  ? 25  B 1 .
ATOM 1875 C C    . THR Bxp B 18  ? 26.578 69.819 39.696 1   108.244 ? 25  B 1 .
ATOM 1876 O O    . THR Bxp B 18  ? 27.131 69.018 38.936 1   110.25  ? 25  B 1 .
ATOM 1877 C CB   . THR Bxp B 18  ? 27.037 72.255 39.836 1   92.792  ? 25  B 1 .
ATOM 1878 O OG1  . THR Bxp B 18  ? 26.749 73.518 39.273 1   77.243  ? 25  B 1 .
ATOM 1879 C CG2  . THR Bxp B 18  ? 28.508 72.051 39.505 1   109.948 ? 25  B 1 .
ATOM 1880 H H    . THR Bxp B 18  ? 24.496 72.034 40.113 1   89.582  ? 25  B 1 c
ATOM 1881 H HA   . THR Bxp B 18  ? 26.253 71.229 38.225 1   94.826  ? 25  B 1 c
ATOM 1882 H HB   . THR Bxp B 18  ? 26.91  72.285 40.814 1   92.527  ? 25  B 1 c
ATOM 1883 H HG1  . THR Bxp B 18  ? 26.751 73.501 38.21  0   148.07  ? 25  B 1 c
ATOM 1884 H HG21 . THR Bxp B 18  ? 28.973 72.904 39.549 1   104.332 ? 25  B 1 c
ATOM 1885 H HG22 . THR Bxp B 18  ? 28.591 71.683 38.61  1   104.458 ? 25  B 1 c
ATOM 1886 H HG23 . THR Bxp B 18  ? 28.903 71.436 40.146 1   104.518 ? 25  B 1 c
ATOM 1887 N N    . THR Bxp B 19  ? 26.371 69.603 41.001 1   100.231 ? 26  B 1 .
ATOM 1888 C CA   . THR Bxp B 19  ? 27.007 68.509 41.714 1   90.846  ? 26  B 1 .
ATOM 1889 C C    . THR Bxp B 19  ? 26.261 67.209 41.431 1   93.345  ? 26  B 1 .
ATOM 1890 O O    . THR Bxp B 19  ? 26.886 66.193 41.137 1   100     ? 26  B 1 .
ATOM 1891 C CB   . THR Bxp B 19  ? 27.019 68.815 43.21  1   95.92   ? 26  B 1 .
ATOM 1892 O OG1  . THR Bxp B 19  ? 27.626 70.083 43.408 1   100.064 ? 26  B 1 .
ATOM 1893 C CG2  . THR Bxp B 19  ? 27.805 67.797 44.005 1   100.901 ? 26  B 1 .
ATOM 1894 H H    . THR Bxp B 19  ? 25.813 70.16  41.462 1   99.679  ? 26  B 1 c
ATOM 1895 H HA   . THR Bxp B 19  ? 27.933 68.423 41.4   1   94.174  ? 26  B 1 c
ATOM 1896 H HB   . THR Bxp B 19  ? 26.092 68.842 43.548 1   96.666  ? 26  B 1 c
ATOM 1897 H HG1  . THR Bxp B 19  ? 28.276 70.185 43.137 0   58.97   ? 26  B 1 c
ATOM 1898 H HG21 . THR Bxp B 19  ? 28.046 68.175 44.868 1   99.211  ? 26  B 1 c
ATOM 1899 H HG22 . THR Bxp B 19  ? 28.613 67.56  43.52  1   99.266  ? 26  B 1 c
ATOM 1900 H HG23 . THR Bxp B 19  ? 27.264 67.002 44.141 1   99.31   ? 26  B 1 c
ATOM 1901 N N    . ILE Bxp B 20  ? 24.926 67.243 41.552 1   90.818  ? 27  B 1 .
ATOM 1902 C CA   . ILE Bxp B 20  ? 24.134 66.027 41.532 1   97.685  ? 27  B 1 .
ATOM 1903 C C    . ILE Bxp B 20  ? 23.203 66.015 40.33  1   95.336  ? 27  B 1 .
ATOM 1904 O O    . ILE Bxp B 20  ? 22.323 65.161 40.256 1   103.553 ? 27  B 1 .
ATOM 1905 C CB   . ILE Bxp B 20  ? 23.351 65.851 42.844 1   97.799  ? 27  B 1 .
ATOM 1906 C CG1  . ILE Bxp B 20  ? 22.301 66.91  43.048 1   97.856  ? 27  B 1 .
ATOM 1907 C CG2  . ILE Bxp B 20  ? 24.299 65.806 44.036 1   94.222  ? 27  B 1 .
ATOM 1908 C CD1  . ILE Bxp B 20  ? 21.476 66.668 44.299 1   101.265 ? 27  B 1 .
ATOM 1909 H H    . ILE Bxp B 20  ? 24.503 68.045 41.661 1   93.059  ? 27  B 1 c
ATOM 1910 H HA   . ILE Bxp B 20  ? 24.743 65.269 41.447 1   96.093  ? 27  B 1 c
ATOM 1911 H HB   . ILE Bxp B 20  ? 22.892 64.988 42.799 1   97.162  ? 27  B 1 c
ATOM 1912 H HG12 . ILE Bxp B 20  ? 21.705 66.93  42.272 1   98.553  ? 27  B 1 c
ATOM 1913 H HG13 . ILE Bxp B 20  ? 22.738 67.782 43.121 1   98.405  ? 27  B 1 c
ATOM 1914 H HG21 . ILE Bxp B 20  ? 23.898 65.285 44.752 1   95.303  ? 27  B 1 c
ATOM 1915 H HG22 . ILE Bxp B 20  ? 24.47  66.709 44.351 1   95.309  ? 27  B 1 c
ATOM 1916 H HG23 . ILE Bxp B 20  ? 25.138 65.394 43.77  1   95.297  ? 27  B 1 c
ATOM 1917 H HD11 . ILE Bxp B 20  ? 21.363 65.709 44.439 1   100.205 ? 27  B 1 c
ATOM 1918 H HD12 . ILE Bxp B 20  ? 20.6   67.085 44.197 1   100.231 ? 27  B 1 c
ATOM 1919 H HD13 . ILE Bxp B 20  ? 21.931 67.056 45.071 1   100.209 ? 27  B 1 c
ATOM 1920 N N    . GLY Bxp B 21  ? 23.404 66.956 39.405 1   92.934  ? 28  B 1 .
ATOM 1921 C CA   . GLY Bxp B 21  ? 22.633 66.971 38.175 1   107.054 ? 28  B 1 .
ATOM 1922 C C    . GLY Bxp B 21  ? 23.215 65.996 37.16  1   119.996 ? 28  B 1 .
ATOM 1923 O O    . GLY Bxp B 21  ? 24.286 66.258 36.616 1   145.599 ? 28  B 1 .
ATOM 1924 H H    . GLY Bxp B 21  ? 24.037 67.601 39.535 1   96.45   ? 28  B 1 c
ATOM 1925 H HA3  . GLY Bxp B 21  ? 22.639 67.88  37.799 1   106.057 ? 28  B 1 c
ATOM 1926 H HA2  . GLY Bxp B 21  ? 21.698 66.73  38.372 1   106.265 ? 28  B 1 c
ATOM 1927 N N    . GLY Bxp B 22  ? 22.506 64.88  36.927 1   121.619 ? 29  B 1 .
ATOM 1928 C CA   . GLY Bxp B 22  ? 22.873 63.917 35.897 1   132.226 ? 29  B 1 .
ATOM 1929 C C    . GLY Bxp B 22  ? 23.594 62.697 36.469 1   142.307 ? 29  B 1 .
ATOM 1930 O O    . GLY Bxp B 22  ? 24.506 62.143 35.848 1   152.524 ? 29  B 1 .
ATOM 1931 H H    . GLY Bxp B 22  ? 21.758 64.72  37.427 1   123.334 ? 29  B 1 c
ATOM 1932 H HA3  . GLY Bxp B 22  ? 23.453 64.358 35.233 1   131.772 ? 29  B 1 c
ATOM 1933 H HA2  . GLY Bxp B 22  ? 22.055 63.622 35.431 1   131.761 ? 29  B 1 c
ATOM 1934 N N    . ASN Bxp B 23  ? 23.168 62.288 37.666 1   131.746 ? 30  B 1 .
ATOM 1935 C CA   . ASN Bxp B 23  ? 23.624 61.045 38.265 1   126.145 ? 30  B 1 .
ATOM 1936 C C    . ASN Bxp B 23  ? 22.624 60.647 39.345 1   109.1   ? 30  B 1 .
ATOM 1937 O O    . ASN Bxp B 23  ? 22.065 61.496 40.032 1   104.303 ? 30  B 1 .
ATOM 1938 C CB   . ASN Bxp B 23  ? 25.064 61.124 38.773 1   128.12  ? 30  B 1 .
ATOM 1939 C CG   . ASN Bxp B 23  ? 25.423 62.48  39.341 1   122.954 ? 30  B 1 .
ATOM 1940 O OD1  . ASN Bxp B 23  ? 24.628 63.091 40.06  1   138.696 ? 30  B 1 .
ATOM 1941 N ND2  . ASN Bxp B 23  ? 26.591 62.994 38.998 1   111.458 ? 30  B 1 .
ATOM 1942 H H    . ASN Bxp B 23  ? 22.57  62.8   38.129 1   132.517 ? 30  B 1 c
ATOM 1943 H HA   . ASN Bxp B 23  ? 23.603 60.353 37.565 1   124.143 ? 30  B 1 c
ATOM 1944 H HB3  . ASN Bxp B 23  ? 25.673 60.918 38.036 1   126.35  ? 30  B 1 c
ATOM 1945 H HB2  . ASN Bxp B 23  ? 25.195 60.446 39.466 1   126.345 ? 30  B 1 c
ATOM 1946 H HD21 . ASN Bxp B 23  ? 26.669 63.868 38.869 1   114.877 ? 30  B 1 c
ATOM 1947 H HD22 . ASN Bxp B 23  ? 27.296 62.464 38.899 1   114.877 ? 30  B 1 c
ATOM 1948 N N    . ALA Bxp B 24  ? 22.417 59.339 39.48  1   104.342 ? 31  B 1 .
ATOM 1949 C CA   . ALA Bxp B 24  ? 21.52  58.793 40.482 1   97.676  ? 31  B 1 .
ATOM 1950 C C    . ALA Bxp B 24  ? 22.31  58.486 41.748 1   85.064  ? 31  B 1 .
ATOM 1951 O O    . ALA Bxp B 24  ? 23.509 58.73  41.824 1   94.751  ? 31  B 1 .
ATOM 1952 C CB   . ALA Bxp B 24  ? 20.861 57.563 39.916 1   116.167 ? 31  B 1 .
ATOM 1953 H H    . ALA Bxp B 24  ? 22.857 58.759 38.926 1   104.268 ? 31  B 1 c
ATOM 1954 H HA   . ALA Bxp B 24  ? 20.824 59.473 40.697 1   99.666  ? 31  B 1 c
ATOM 1955 H HB3  . ALA Bxp B 24  ? 20.178 57.246 40.527 1   109.416 ? 31  B 1 c
ATOM 1956 H HB2  . ALA Bxp B 24  ? 21.526 56.865 39.789 1   110.101 ? 31  B 1 c
ATOM 1957 H HB1  . ALA Bxp B 24  ? 20.452 57.776 39.061 1   110.101 ? 31  B 1 c
ATOM 1958 N N    . TYR Bxp B 25  ? 21.642 57.928 42.75  1   77.935  ? 32  B 1 .
ATOM 1959 C CA   . TYR Bxp B 25  ? 22.236 57.835 44.075 1   83.473  ? 32  B 1 .
ATOM 1960 C C    . TYR Bxp B 25  ? 23.321 56.768 44.092 1   91.286  ? 32  B 1 .
ATOM 1961 O O    . TYR Bxp B 25  ? 23.193 55.748 43.422 1   99.661  ? 32  B 1 .
ATOM 1962 C CB   . TYR Bxp B 25  ? 21.161 57.501 45.11  1   77.635  ? 32  B 1 .
ATOM 1963 C CG   . TYR Bxp B 25  ? 21.659 57.256 46.521 1   66.089  ? 32  B 1 .
ATOM 1964 C CD1  . TYR Bxp B 25  ? 22.123 56.015 46.915 1   71.228  ? 32  B 1 .
ATOM 1965 C CD2  . TYR Bxp B 25  ? 21.62  58.25  47.477 1   80.515  ? 32  B 1 .
ATOM 1966 C CE1  . TYR Bxp B 25  ? 22.572 55.773 48.203 1   73.541  ? 32  B 1 .
ATOM 1967 C CE2  . TYR Bxp B 25  ? 22.037 58.013 48.782 1   91.085  ? 32  B 1 .
ATOM 1968 C CZ   . TYR Bxp B 25  ? 22.528 56.773 49.145 1   74.471  ? 32  B 1 .
ATOM 1969 O OH   . TYR Bxp B 25  ? 22.927 56.487 50.411 1   73.71   ? 32  B 1 .
ATOM 1970 H H    . TYR Bxp B 25  ? 20.799 57.603 42.616 1   81.279  ? 32  B 1 c
ATOM 1971 H HA   . TYR Bxp B 25  ? 22.641 58.713 44.306 1   82.821  ? 32  B 1 c
ATOM 1972 H HB3  . TYR Bxp B 25  ? 20.68  56.699 44.805 1   76.108  ? 32  B 1 c
ATOM 1973 H HB2  . TYR Bxp B 25  ? 20.512 58.238 45.13  1   76.141  ? 32  B 1 c
ATOM 1974 H HD1  . TYR Bxp B 25  ? 22.163 55.318 46.28  1   70.835  ? 32  B 1 c
ATOM 1975 H HD2  . TYR Bxp B 25  ? 21.287 59.102 47.245 1   79.012  ? 32  B 1 c
ATOM 1976 H HE1  . TYR Bxp B 25  ? 22.881 54.916 48.442 1   73.302  ? 32  B 1 c
ATOM 1977 H HE2  . TYR Bxp B 25  ? 22.006 58.707 49.418 1   84.097  ? 32  B 1 c
ATOM 1978 H HH   . TYR Bxp B 25  ? 23.273 55.674 50.382 0   67.85   ? 32  B 1 c
ATOM 1979 N N    . GLN Bxp B 26  ? 24.361 56.994 44.906 1   105.002 ? 33  B 1 .
ATOM 1980 C CA   . GLN Bxp B 26  ? 25.408 56.003 45.125 1   109.771 ? 33  B 1 .
ATOM 1981 C C    . GLN Bxp B 26  ? 26.188 56.349 46.397 1   103.514 ? 33  B 1 .
ATOM 1982 O O    . GLN Bxp B 26  ? 26.666 57.473 46.523 1   87.391  ? 33  B 1 .
ATOM 1983 C CB   . GLN Bxp B 26  ? 26.273 55.949 43.866 1   103.401 ? 33  B 1 .
ATOM 1984 C CG   . GLN Bxp B 26  ? 26.503 57.318 43.232 1   94.247  ? 33  B 1 .
ATOM 1985 C CD   . GLN Bxp B 26  ? 27.177 57.238 41.885 1   91.298  ? 33  B 1 .
ATOM 1986 O OE1  . GLN Bxp B 26  ? 28.126 56.472 41.697 1   107.746 ? 33  B 1 .
ATOM 1987 N NE2  . GLN Bxp B 26  ? 26.674 58.013 40.934 1   89.595  ? 33  B 1 .
ATOM 1988 H H    . GLN Bxp B 26  ? 24.42  57.797 45.34  1   102.246 ? 33  B 1 c
ATOM 1989 H HA   . GLN Bxp B 26  ? 24.976 55.12  45.25  1   106.377 ? 33  B 1 c
ATOM 1990 H HB3  . GLN Bxp B 26  ? 25.842 55.362 43.211 1   102.566 ? 33  B 1 c
ATOM 1991 H HB2  . GLN Bxp B 26  ? 27.14  55.554 44.094 1   102.389 ? 33  B 1 c
ATOM 1992 H HG3  . GLN Bxp B 26  ? 27.055 57.862 43.829 1   95.373  ? 33  B 1 c
ATOM 1993 H HG2  . GLN Bxp B 26  ? 25.645 57.774 43.121 1   95.459  ? 33  B 1 c
ATOM 1994 H HE21 . GLN Bxp B 26  ? 27.2   58.583 40.504 1   90.116  ? 33  B 1 c
ATOM 1995 H HE22 . GLN Bxp B 26  ? 25.812 57.961 40.73  1   90.116  ? 33  B 1 c
ATOM 1996 N N    . HIS Bxp B 27  ? 26.328 55.367 47.308 1   106.649 ? 34  B 1 .
ATOM 1997 C CA   . HIS Bxp B 27  ? 26.913 55.574 48.629 1   108.467 ? 34  B 1 .
ATOM 1998 C C    . HIS Bxp B 27  ? 28.332 56.135 48.531 1   92.007  ? 34  B 1 .
ATOM 1999 O O    . HIS Bxp B 27  ? 28.712 57.046 49.256 1   76.933  ? 34  B 1 .
ATOM 2000 C CB   . HIS Bxp B 27  ? 26.97  54.277 49.453 1   122.536 ? 34  B 1 .
ATOM 2001 C CG   . HIS Bxp B 27  ? 27.47  54.504 50.857 1   151.992 ? 34  B 1 .
ATOM 2002 N ND1  . HIS Bxp B 27  ? 27.251 55.678 51.556 1   141.581 ? 34  B 1 .
ATOM 2003 C CD2  . HIS Bxp B 27  ? 28.189 53.726 51.692 1   170.65  ? 34  B 1 .
ATOM 2004 C CE1  . HIS Bxp B 27  ? 27.814 55.605 52.761 1   127.786 ? 34  B 1 .
ATOM 2005 N NE2  . HIS Bxp B 27  ? 28.393 54.43  52.866 1   151.629 ? 34  B 1 .
ATOM 2006 H H    . HIS Bxp B 27  ? 26.047 54.525 47.089 1   106.422 ? 34  B 1 c
ATOM 2007 H HA   . HIS Bxp B 27  ? 26.352 56.23  49.109 1   107.221 ? 34  B 1 c
ATOM 2008 H HB3  . HIS Bxp B 27  ? 27.563 53.64  48.999 1   125.298 ? 34  B 1 c
ATOM 2009 H HB2  . HIS Bxp B 27  ? 26.07  53.887 49.492 1   125.298 ? 34  B 1 c
ATOM 2010 H HD1  . HIS Bxp B 27  ? 26.648 56.396 51.179 0   458.88  ? 34  B 1 c
ATOM 2011 H HD2  . HIS Bxp B 27  ? 28.504 52.862 51.514 1   161.209 ? 34  B 1 c
ATOM 2012 H HE1  . HIS Bxp B 27  ? 27.798 56.277 53.421 1   135.736 ? 34  B 1 c
ATOM 2013 H HE2  . HIS Bxp B 27  ? 28.56  54.077 53.515 0   122.98  ? 34  B 1 c
ATOM 2014 N N    . ASP Bxp B 28  ? 29.129 55.579 47.626 1   90.49   ? 35  B 1 .
ATOM 2015 C CA   . ASP Bxp B 28  ? 30.539 55.914 47.536 1   96.669  ? 35  B 1 .
ATOM 2016 C C    . ASP Bxp B 28  ? 30.764 57.392 47.18  1   87.045  ? 35  B 1 .
ATOM 2017 O O    . ASP Bxp B 28  ? 31.907 57.818 47.05  1   92.213  ? 35  B 1 .
ATOM 2018 C CB   . ASP Bxp B 28  ? 31.197 54.962 46.544 1   101.671 ? 35  B 1 .
ATOM 2019 C CG   . ASP Bxp B 28  ? 30.51  54.867 45.184 1   84.448  ? 35  B 1 .
ATOM 2020 O OD1  . ASP Bxp B 28  ? 29.295 54.604 45.148 0.5 68.031  ? 35  B 1 .
ATOM 2021 O OD2  . ASP Bxp B 28  ? 31.201 55.062 44.177 0.5 75.53   ? 35  B 1 .
ATOM 2022 H H    . ASP Bxp B 28  ? 28.785 54.957 47.051 1   92.414  ? 35  B 1 c
ATOM 2023 H HA   . ASP Bxp B 28  ? 30.948 55.745 48.415 1   94.407  ? 35  B 1 c
ATOM 2024 H HB3  . ASP Bxp B 28  ? 31.214 54.065 46.939 1   96.288  ? 35  B 1 c
ATOM 2025 H HB2  . ASP Bxp B 28  ? 32.124 55.245 46.402 1   96.157  ? 35  B 1 c
ATOM 2026 N N    . LYS Bxp B 29  ? 29.693 58.172 46.996 1   76.301  ? 36  B 1 .
ATOM 2027 C CA   . LYS Bxp B 29  ? 29.784 59.495 46.388 1   75.678  ? 36  B 1 .
ATOM 2028 C C    . LYS Bxp B 29  ? 28.965 60.551 47.141 1   71.548  ? 36  B 1 .
ATOM 2029 O O    . LYS Bxp B 29  ? 29.381 61.696 47.238 1   70.189  ? 36  B 1 .
ATOM 2030 C CB   . LYS Bxp B 29  ? 29.286 59.409 44.942 1   77.39   ? 36  B 1 .
ATOM 2031 C CG   . LYS Bxp B 29  ? 30.106 58.539 44     1   83.088  ? 36  B 1 .
ATOM 2032 C CD   . LYS Bxp B 29  ? 30.801 59.294 42.875 1   96.909  ? 36  B 1 .
ATOM 2033 C CE   . LYS Bxp B 29  ? 31.833 58.465 42.146 1   111.294 ? 36  B 1 .
ATOM 2034 N NZ   . LYS Bxp B 29  ? 32.978 58.048 42.977 1   108.208 ? 36  B 1 .
ATOM 2035 H H    . LYS Bxp B 29  ? 28.87  57.862 47.238 1   78.94   ? 36  B 1 c
ATOM 2036 H HA   . LYS Bxp B 29  ? 30.733 59.778 46.383 1   75.49   ? 36  B 1 c
ATOM 2037 H HB3  . LYS Bxp B 29  ? 29.256 60.317 44.572 1   78.452  ? 36  B 1 c
ATOM 2038 H HB2  . LYS Bxp B 29  ? 28.368 59.067 44.954 1   78.423  ? 36  B 1 c
ATOM 2039 H HG3  . LYS Bxp B 29  ? 29.511 57.864 43.607 1   84.696  ? 36  B 1 c
ATOM 2040 H HG2  . LYS Bxp B 29  ? 30.783 58.064 44.526 1   84.826  ? 36  B 1 c
ATOM 2041 H HD3  . LYS Bxp B 29  ? 31.239 60.089 43.25  1   96.463  ? 36  B 1 c
ATOM 2042 H HD2  . LYS Bxp B 29  ? 30.125 59.598 42.232 1   96.567  ? 36  B 1 c
ATOM 2043 H HE3  . LYS Bxp B 29  ? 32.169 58.977 41.389 1   107.12  ? 36  B 1 c
ATOM 2044 H HE2  . LYS Bxp B 29  ? 31.401 57.667 41.792 1   107.12  ? 36  B 1 c
ATOM 2045 H HZ1  . LYS Bxp B 29  ? 32.762 57.304 43.447 1   108.943 ? 36  B 1 c
ATOM 2046 H HZ2  . LYS Bxp B 29  ? 33.198 58.712 43.553 1   109.028 ? 36  B 1 c
ATOM 2047 H HZ3  . LYS Bxp B 29  ? 33.69  57.867 42.446 1   109.086 ? 36  B 1 c
ATOM 2048 N N    . VAL Bxp B 30  ? 27.802 60.166 47.671 1   84.536  ? 37  B 1 .
ATOM 2049 C CA   . VAL Bxp B 30  ? 26.838 61.061 48.307 1   79.597  ? 37  B 1 .
ATOM 2050 C C    . VAL Bxp B 30  ? 27.534 62.128 49.136 1   81.241  ? 37  B 1 .
ATOM 2051 O O    . VAL Bxp B 30  ? 27.362 63.317 48.891 1   94.648  ? 37  B 1 .
ATOM 2052 C CB   . VAL Bxp B 30  ? 25.863 60.326 49.244 1   80.204  ? 37  B 1 .
ATOM 2053 C CG1  . VAL Bxp B 30  ? 24.692 61.222 49.576 1   76.761  ? 37  B 1 .
ATOM 2054 C CG2  . VAL Bxp B 30  ? 25.411 58.979 48.686 1   91.153  ? 37  B 1 .
ATOM 2055 H H    . VAL Bxp B 30  ? 27.586 59.281 47.617 1   80.215  ? 37  B 1 c
ATOM 2056 H HA   . VAL Bxp B 30  ? 26.324 61.501 47.607 1   80.987  ? 37  B 1 c
ATOM 2057 H HB   . VAL Bxp B 30  ? 26.344 60.145 50.085 1   81.357  ? 37  B 1 c
ATOM 2058 H HG11 . VAL Bxp B 30  ? 24.568 61.875 48.867 1   77.864  ? 37  B 1 c
ATOM 2059 H HG12 . VAL Bxp B 30  ? 24.865 61.686 50.411 1   77.933  ? 37  B 1 c
ATOM 2060 H HG13 . VAL Bxp B 30  ? 23.885 60.688 49.662 1   77.939  ? 37  B 1 c
ATOM 2061 H HG21 . VAL Bxp B 30  ? 24.635 58.668 49.178 1   87.613  ? 37  B 1 c
ATOM 2062 H HG22 . VAL Bxp B 30  ? 26.129 58.333 48.782 1   87.875  ? 37  B 1 c
ATOM 2063 H HG23 . VAL Bxp B 30  ? 25.182 59.076 47.747 1   87.766  ? 37  B 1 c
ATOM 2064 N N    . ASN Bxp B 31  ? 28.288 61.689 50.145 1   79.71   ? 38  B 1 .
ATOM 2065 C CA   . ASN Bxp B 31  ? 28.754 62.593 51.184 1   92.599  ? 38  B 1 .
ATOM 2066 C C    . ASN Bxp B 31  ? 29.7   63.648 50.63  1   83.877  ? 38  B 1 .
ATOM 2067 O O    . ASN Bxp B 31  ? 29.797 64.743 51.169 1   86.664  ? 38  B 1 .
ATOM 2068 C CB   . ASN Bxp B 31  ? 29.408 61.832 52.318 1   97.627  ? 38  B 1 .
ATOM 2069 C CG   . ASN Bxp B 31  ? 28.378 60.991 53.017 1   87.798  ? 38  B 1 .
ATOM 2070 O OD1  . ASN Bxp B 31  ? 27.366 61.513 53.493 1   66.328  ? 38  B 1 .
ATOM 2071 N ND2  . ASN Bxp B 31  ? 28.627 59.694 53.069 1   99.914  ? 38  B 1 .
ATOM 2072 H H    . ASN Bxp B 31  ? 28.53  60.808 50.181 1   82.901  ? 38  B 1 c
ATOM 2073 H HA   . ASN Bxp B 31  ? 27.969 63.054 51.555 1   88.905  ? 38  B 1 c
ATOM 2074 H HB3  . ASN Bxp B 31  ? 29.804 62.462 52.953 1   94.085  ? 38  B 1 c
ATOM 2075 H HB2  . ASN Bxp B 31  ? 30.118 61.26  51.964 1   94.162  ? 38  B 1 c
ATOM 2076 H HD21 . ASN Bxp B 31  ? 28.026 59.116 52.765 1   95.82   ? 38  B 1 c
ATOM 2077 H HD22 . ASN Bxp B 31  ? 29.396 59.404 53.403 1   95.82   ? 38  B 1 c
ATOM 2078 N N    . ASN Bxp B 32  ? 30.377 63.294 49.544 1   78.378  ? 39  B 1 .
ATOM 2079 C CA   . ASN Bxp B 32  ? 31.238 64.22  48.839 1   79.849  ? 39  B 1 .
ATOM 2080 C C    . ASN Bxp B 32  ? 30.361 65.21  48.087 1   68.087  ? 39  B 1 .
ATOM 2081 O O    . ASN Bxp B 32  ? 30.81  66.309 47.814 1   69.084  ? 39  B 1 .
ATOM 2082 C CB   . ASN Bxp B 32  ? 32.248 63.474 47.965 1   91.885  ? 39  B 1 .
ATOM 2083 C CG   . ASN Bxp B 32  ? 32.881 62.325 48.723 1   100.044 ? 39  B 1 .
ATOM 2084 O OD1  . ASN Bxp B 32  ? 32.256 61.275 48.878 1   122.193 ? 39  B 1 .
ATOM 2085 N ND2  . ASN Bxp B 32  ? 34.078 62.497 49.264 1   95.505  ? 39  B 1 .
ATOM 2086 H H    . ASN Bxp B 32  ? 30.303 62.44  49.229 1   80.257  ? 39  B 1 c
ATOM 2087 H HA   . ASN Bxp B 32  ? 31.754 64.722 49.51  1   79.348  ? 39  B 1 c
ATOM 2088 H HB3  . ASN Bxp B 32  ? 32.947 64.094 47.674 1   90.764  ? 39  B 1 c
ATOM 2089 H HB2  . ASN Bxp B 32  ? 31.797 63.127 47.17  1   90.764  ? 39  B 1 c
ATOM 2090 H HD21 . ASN Bxp B 32  ? 34.614 61.8   49.382 1   97.049  ? 39  B 1 c
ATOM 2091 H HD22 . ASN Bxp B 32  ? 34.341 63.308 49.507 1   96.919  ? 39  B 1 c
ATOM 2092 N N    . TRP Bxp B 33  ? 29.131 64.802 47.748 1   74.781  ? 40  B 1 .
ATOM 2093 C CA   . TRP Bxp B 33  ? 28.171 65.649 47.047 1   77.411  ? 40  B 1 .
ATOM 2094 C C    . TRP Bxp B 33  ? 27.627 66.756 47.951 1   67.465  ? 40  B 1 .
ATOM 2095 O O    . TRP Bxp B 33  ? 27.837 67.947 47.665 1   60.611  ? 40  B 1 .
ATOM 2096 C CB   . TRP Bxp B 33  ? 27.024 64.815 46.465 1   75.233  ? 40  B 1 .
ATOM 2097 C CG   . TRP Bxp B 33  ? 27.388 63.996 45.253 1   72.549  ? 40  B 1 .
ATOM 2098 C CD1  . TRP Bxp B 33  ? 28.437 64.189 44.412 1   71.299  ? 40  B 1 .
ATOM 2099 C CD2  . TRP Bxp B 33  ? 26.658 62.867 44.728 1   73.692  ? 40  B 1 .
ATOM 2100 N NE1  . TRP Bxp B 33  ? 28.416 63.256 43.415 1   75.587  ? 40  B 1 .
ATOM 2101 C CE2  . TRP Bxp B 33  ? 27.343 62.437 43.58  1   69.202  ? 40  B 1 .
ATOM 2102 C CE3  . TRP Bxp B 33  ? 25.507 62.176 45.127 1   82.186  ? 40  B 1 .
ATOM 2103 C CZ2  . TRP Bxp B 33  ? 26.91  61.365 42.814 1   84.75   ? 40  B 1 .
ATOM 2104 C CZ3  . TRP Bxp B 33  ? 25.088 61.097 44.384 1   85.662  ? 40  B 1 .
ATOM 2105 C CH2  . TRP Bxp B 33  ? 25.774 60.709 43.235 1   94.861  ? 40  B 1 .
ATOM 2106 H H    . TRP Bxp B 33  ? 28.886 63.944 47.941 1   73.893  ? 40  B 1 c
ATOM 2107 H HA   . TRP Bxp B 33  ? 28.647 66.083 46.29  1   74.4    ? 40  B 1 c
ATOM 2108 H HB3  . TRP Bxp B 33  ? 26.292 65.422 46.224 1   75.041  ? 40  B 1 c
ATOM 2109 H HB2  . TRP Bxp B 33  ? 26.683 64.215 47.161 1   75.072  ? 40  B 1 c
ATOM 2110 H HD1  . TRP Bxp B 33  ? 29.092 64.863 44.493 1   72.64   ? 40  B 1 c
ATOM 2111 H HE1  . TRP Bxp B 33  ? 28.999 63.199 42.768 1   73.104  ? 40  B 1 c
ATOM 2112 H HE3  . TRP Bxp B 33  ? 25.035 62.44  45.898 1   80.964  ? 40  B 1 c
ATOM 2113 H HZ2  . TRP Bxp B 33  ? 27.382 61.09  42.046 1   82.976  ? 40  B 1 c
ATOM 2114 H HZ3  . TRP Bxp B 33  ? 24.305 60.635 44.636 1   86.641  ? 40  B 1 c
ATOM 2115 H HH2  . TRP Bxp B 33  ? 25.463 59.974 42.74  1   89.957  ? 40  B 1 c
ATOM 2116 N N    . THR Bxp B 34  ? 26.95  66.338 49.032 1   52.598  ? 41  B 1 .
ATOM 2117 C CA   . THR Bxp B 34  ? 26.561 67.261 50.085 1   53.463  ? 41  B 1 .
ATOM 2118 C C    . THR Bxp B 34  ? 27.712 68.186 50.45  1   55.574  ? 41  B 1 .
ATOM 2119 O O    . THR Bxp B 34  ? 27.508 69.378 50.583 1   64.877  ? 41  B 1 .
ATOM 2120 C CB   . THR Bxp B 34  ? 26.095 66.518 51.327 1   56.723  ? 41  B 1 .
ATOM 2121 O OG1  . THR Bxp B 34  ? 26.908 65.375 51.52  1   71.852  ? 41  B 1 .
ATOM 2122 C CG2  . THR Bxp B 34  ? 24.71  65.948 51.163 1   59.452  ? 41  B 1 .
ATOM 2123 H H    . THR Bxp B 34  ? 26.731 65.455 49.116 1   56.383  ? 41  B 1 c
ATOM 2124 H HA   . THR Bxp B 34  ? 25.815 67.806 49.753 1   54.347  ? 41  B 1 c
ATOM 2125 H HB   . THR Bxp B 34  ? 26.136 67.1   52.123 1   59.281  ? 41  B 1 c
ATOM 2126 H HG1  . THR Bxp B 34  ? 26.903 64.842 50.797 0   82.59   ? 41  B 1 c
ATOM 2127 H HG21 . THR Bxp B 34  ? 24.465 65.453 51.963 1   58.626  ? 41  B 1 c
ATOM 2128 H HG22 . THR Bxp B 34  ? 24.693 65.351 50.396 1   58.626  ? 41  B 1 c
ATOM 2129 H HG23 . THR Bxp B 34  ? 24.075 66.671 51.023 1   58.626  ? 41  B 1 c
ATOM 2130 N N    . GLY Bxp B 35  ? 28.907 67.624 50.627 1   73.175  ? 42  B 1 .
ATOM 2131 C CA   . GLY Bxp B 35  ? 30.105 68.395 50.946 1   85.034  ? 42  B 1 .
ATOM 2132 C C    . GLY Bxp B 35  ? 30.368 69.518 49.944 1   79.766  ? 42  B 1 .
ATOM 2133 O O    . GLY Bxp B 35  ? 30.722 70.625 50.358 1   75.698  ? 42  B 1 .
ATOM 2134 H H    . GLY Bxp B 35  ? 28.983 66.716 50.553 1   70.572  ? 42  B 1 c
ATOM 2135 H HA3  . GLY Bxp B 35  ? 30.88  67.786 50.964 1   80.886  ? 42  B 1 c
ATOM 2136 H HA2  . GLY Bxp B 35  ? 30.005 68.78  51.848 1   80.886  ? 42  B 1 c
ATOM 2137 N N    . GLN Bxp B 36  ? 30.169 69.214 48.648 1   65.916  ? 43  B 1 .
ATOM 2138 C CA   . GLN Bxp B 36  ? 30.345 70.19  47.592 1   72.24   ? 43  B 1 .
ATOM 2139 C C    . GLN Bxp B 36  ? 29.213 71.212 47.635 1   82.989  ? 43  B 1 .
ATOM 2140 O O    . GLN Bxp B 36  ? 29.451 72.406 47.856 1   82.801  ? 43  B 1 .
ATOM 2141 C CB   . GLN Bxp B 36  ? 30.428 69.491 46.24  1   77.64   ? 43  B 1 .
ATOM 2142 C CG   . GLN Bxp B 36  ? 31.849 69.132 45.833 1   86.85   ? 43  B 1 .
ATOM 2143 C CD   . GLN Bxp B 36  ? 31.955 67.847 45.035 1   102.979 ? 43  B 1 .
ATOM 2144 O OE1  . GLN Bxp B 36  ? 31.042 67.012 44.977 1   84.874  ? 43  B 1 .
ATOM 2145 N NE2  . GLN Bxp B 36  ? 33.132 67.642 44.466 1   128.741 ? 43  B 1 .
ATOM 2146 H H    . GLN Bxp B 36  ? 29.924 68.363 48.424 1   70.628  ? 43  B 1 c
ATOM 2147 H HA   . GLN Bxp B 36  ? 31.199 70.666 47.751 1   73.992  ? 43  B 1 c
ATOM 2148 H HB3  . GLN Bxp B 36  ? 30.042 70.078 45.556 1   78.386  ? 43  B 1 c
ATOM 2149 H HB2  . GLN Bxp B 36  ? 29.887 68.676 46.271 1   78.382  ? 43  B 1 c
ATOM 2150 H HG3  . GLN Bxp B 36  ? 32.402 69.043 46.638 1   87.853  ? 43  B 1 c
ATOM 2151 H HG2  . GLN Bxp B 36  ? 32.224 69.863 45.296 1   88.013  ? 43  B 1 c
ATOM 2152 H HE21 . GLN Bxp B 36  ? 33.177 67.431 43.606 1   120.173 ? 43  B 1 c
ATOM 2153 H HE22 . GLN Bxp B 36  ? 33.874 67.715 44.946 1   120.173 ? 43  B 1 c
ATOM 2154 N N    . VAL Bxp B 37  ? 27.981 70.736 47.43  1   79.468  ? 44  B 1 .
ATOM 2155 C CA   . VAL Bxp B 37  ? 26.821 71.616 47.4   1   73.019  ? 44  B 1 .
ATOM 2156 C C    . VAL Bxp B 37  ? 26.971 72.763 48.391 1   73.242  ? 44  B 1 .
ATOM 2157 O O    . VAL Bxp B 37  ? 26.734 73.901 48.029 1   92.086  ? 44  B 1 .
ATOM 2158 C CB   . VAL Bxp B 37  ? 25.533 70.836 47.684 1   70.565  ? 44  B 1 .
ATOM 2159 C CG1  . VAL Bxp B 37  ? 24.34  71.75  47.845 1   61.13   ? 44  B 1 .
ATOM 2160 C CG2  . VAL Bxp B 37  ? 25.296 69.818 46.581 1   84.686  ? 44  B 1 .
ATOM 2161 H H    . VAL Bxp B 37  ? 27.86  69.838 47.311 1   78.627  ? 44  B 1 c
ATOM 2162 H HA   . VAL Bxp B 37  ? 26.756 71.996 46.502 1   73.947  ? 44  B 1 c
ATOM 2163 H HB   . VAL Bxp B 37  ? 25.664 70.348 48.531 1   71.517  ? 44  B 1 c
ATOM 2164 H HG11 . VAL Bxp B 37  ? 24.333 72.407 47.129 1   63.955  ? 44  B 1 c
ATOM 2165 H HG12 . VAL Bxp B 37  ? 24.39  72.206 48.702 1   63.961  ? 44  B 1 c
ATOM 2166 H HG13 . VAL Bxp B 37  ? 23.523 71.225 47.81  1   64.295  ? 44  B 1 c
ATOM 2167 H HG21 . VAL Bxp B 37  ? 24.346 69.763 46.384 1   79.907  ? 44  B 1 c
ATOM 2168 H HG22 . VAL Bxp B 37  ? 25.614 68.947 46.871 1   80.012  ? 44  B 1 c
ATOM 2169 H HG23 . VAL Bxp B 37  ? 25.775 70.085 45.779 1   80.047  ? 44  B 1 c
ATOM 2170 N N    . VAL Bxp B 38  ? 27.346 72.46  49.633 1   73.547  ? 45  B 1 .
ATOM 2171 C CA   . VAL Bxp B 38  ? 27.425 73.451 50.692 1   79.494  ? 45  B 1 .
ATOM 2172 C C    . VAL Bxp B 38  ? 28.679 74.312 50.566 1   85.823  ? 45  B 1 .
ATOM 2173 O O    . VAL Bxp B 38  ? 28.589 75.534 50.615 1   109.783 ? 45  B 1 .
ATOM 2174 C CB   . VAL Bxp B 38  ? 27.374 72.774 52.072 1   96.018  ? 45  B 1 .
ATOM 2175 C CG1  . VAL Bxp B 38  ? 26.025 72.107 52.315 1   96.278  ? 45  B 1 .
ATOM 2176 C CG2  . VAL Bxp B 38  ? 28.524 71.792 52.293 1   101.95  ? 45  B 1 .
ATOM 2177 H H    . VAL Bxp B 38  ? 27.541 71.59  49.832 1   75.315  ? 45  B 1 c
ATOM 2178 H HA   . VAL Bxp B 38  ? 26.647 74.037 50.614 1   82.437  ? 45  B 1 c
ATOM 2179 H HB   . VAL Bxp B 38  ? 27.47  73.489 52.744 1   93.744  ? 45  B 1 c
ATOM 2180 H HG11 . VAL Bxp B 38  ? 26.036 71.207 51.949 1   95.657  ? 45  B 1 c
ATOM 2181 H HG12 . VAL Bxp B 38  ? 25.324 72.623 51.882 1   95.822  ? 45  B 1 c
ATOM 2182 H HG13 . VAL Bxp B 38  ? 25.85  72.066 53.27  1   95.781  ? 45  B 1 c
ATOM 2183 H HG21 . VAL Bxp B 38  ? 28.335 71.239 53.065 1   99.393  ? 45  B 1 c
ATOM 2184 H HG22 . VAL Bxp B 38  ? 29.347 72.283 52.45  1   99.437  ? 45  B 1 c
ATOM 2185 H HG23 . VAL Bxp B 38  ? 28.63  71.228 51.513 1   98.907  ? 45  B 1 c
ATOM 2186 N N    . GLU Bxp B 39  ? 29.855 73.691 50.436 1   90.238  ? 46  B 1 .
ATOM 2187 C CA   . GLU Bxp B 39  ? 31.087 74.448 50.289 1   98.075  ? 46  B 1 .
ATOM 2188 C C    . GLU Bxp B 39  ? 31.107 75.093 48.917 1   76.52   ? 46  B 1 .
ATOM 2189 O O    . GLU Bxp B 39  ? 32.182 75.45  48.456 1   72.948  ? 46  B 1 .
ATOM 2190 C CB   . GLU Bxp B 39  ? 32.382 73.625 50.367 1   128.867 ? 46  B 1 .
ATOM 2191 C CG   . GLU Bxp B 39  ? 33.148 73.748 51.685 1   141.518 ? 46  B 1 .
ATOM 2192 C CD   . GLU Bxp B 39  ? 32.755 72.779 52.786 1   161.213 ? 46  B 1 .
ATOM 2193 O OE1  . GLU Bxp B 39  ? 32.148 71.706 52.497 1   160.023 ? 46  B 1 .
ATOM 2194 O OE2  . GLU Bxp B 39  ? 33.073 73.133 53.953 1   165.4   ? 46  B 1 .
ATOM 2195 H H    . GLU Bxp B 39  ? 29.889 72.779 50.403 1   91.092  ? 46  B 1 c
ATOM 2196 H HA   . GLU Bxp B 39  ? 31.106 75.16  50.978 1   97.309  ? 46  B 1 c
ATOM 2197 H HB3  . GLU Bxp B 39  ? 32.987 73.905 49.651 1   122.775 ? 46  B 1 c
ATOM 2198 H HB2  . GLU Bxp B 39  ? 32.165 72.684 50.215 1   123.263 ? 46  B 1 c
ATOM 2199 H HG3  . GLU Bxp B 39  ? 33.037 74.66  52.029 1   142.496 ? 46  B 1 c
ATOM 2200 H HG2  . GLU Bxp B 39  ? 34.104 73.627 51.502 1   142.716 ? 46  B 1 c
ATOM 2201 N N    . ASN Bxp B 40  ? 29.945 75.136 48.252 1   81.859  ? 47  B 1 .
ATOM 2202 C CA   . ASN Bxp B 40  ? 29.847 75.689 46.909 1   95.663  ? 47  B 1 .
ATOM 2203 C C    . ASN Bxp B 40  ? 29.083 77.013 46.931 1   80.897  ? 47  B 1 .
ATOM 2204 O O    . ASN Bxp B 40  ? 29.567 78.004 46.392 1   79.582  ? 47  B 1 .
ATOM 2205 C CB   . ASN Bxp B 40  ? 29.249 74.686 45.928 1   98.65   ? 47  B 1 .
ATOM 2206 C CG   . ASN Bxp B 40  ? 29.454 75.128 44.504 1   104.974 ? 47  B 1 .
ATOM 2207 O OD1  . ASN Bxp B 40  ? 30.488 75.723 44.19  1   96.521  ? 47  B 1 .
ATOM 2208 N ND2  . ASN Bxp B 40  ? 28.476 74.888 43.646 1   119.007 ? 47  B 1 .
ATOM 2209 H H    . ASN Bxp B 40  ? 29.187 74.808 48.64  1   83.623  ? 47  B 1 c
ATOM 2210 H HA   . ASN Bxp B 40  ? 30.76  75.882 46.6   1   90.335  ? 47  B 1 c
ATOM 2211 H HB3  . ASN Bxp B 40  ? 28.292 74.59  46.103 1   99.241  ? 47  B 1 c
ATOM 2212 H HB2  . ASN Bxp B 40  ? 29.673 73.816 46.057 1   99.233  ? 47  B 1 c
ATOM 2213 H HD21 . ASN Bxp B 40  ? 28.305 75.469 42.997 1   114.469 ? 47  B 1 c
ATOM 2214 H HD22 . ASN Bxp B 40  ? 27.993 74.148 43.72  1   114.381 ? 47  B 1 c
ATOM 2215 N N    . CYS Bxp B 41  ? 27.877 76.995 47.506 1   71.709  ? 48  B 1 .
ATOM 2216 C CA   . CYS Bxp B 41  ? 27.196 78.205 47.944 1   78.198  ? 48  B 1 .
ATOM 2217 C C    . CYS Bxp B 41  ? 28.134 79.102 48.745 1   78.804  ? 48  B 1 .
ATOM 2218 O O    . CYS Bxp B 41  ? 28.347 80.25  48.383 1   110.281 ? 48  B 1 .
ATOM 2219 C CB   . CYS Bxp B 41  ? 25.984 77.895 48.814 1   78.604  ? 48  B 1 .
ATOM 2220 S SG   . CYS Bxp B 41  ? 24.996 76.551 48.11  1   87.292  ? 48  B 1 .
ATOM 2221 H H    . CYS Bxp B 41  ? 27.461 76.191 47.632 1   75.663  ? 48  B 1 c
ATOM 2222 H HA   . CYS Bxp B 41  ? 26.898 78.699 47.138 1   77.232  ? 48  B 1 c
ATOM 2223 H HB3  . CYS Bxp B 41  ? 25.421 78.697 48.892 1   80.164  ? 48  B 1 c
ATOM 2224 H HB2  . CYS Bxp B 41  ? 26.278 77.634 49.714 1   80.046  ? 48  B 1 c
ATOM 2225 H HG   . CYS Bxp B 41  ? 24.169 76.587 48.804 0   99.93   ? 48  B 1 c
ATOM 2226 N N    . LEU Bxp B 42  ? 28.715 78.571 49.821 1   76.357  ? 49  B 1 .
ATOM 2227 C CA   . LEU Bxp B 42  ? 29.59  79.362 50.659 1   75.896  ? 49  B 1 .
ATOM 2228 C C    . LEU Bxp B 42  ? 30.662 80.075 49.85  1   98.669  ? 49  B 1 .
ATOM 2229 O O    . LEU Bxp B 42  ? 30.987 81.227 50.13  1   118.395 ? 49  B 1 .
ATOM 2230 C CB   . LEU Bxp B 42  ? 30.234 78.548 51.761 1   66.022  ? 49  B 1 .
ATOM 2231 C CG   . LEU Bxp B 42  ? 29.582 78.771 53.121 1   73.138  ? 49  B 1 .
ATOM 2232 C CD1  . LEU Bxp B 42  ? 30.559 78.449 54.238 1   83.545  ? 49  B 1 .
ATOM 2233 C CD2  . LEU Bxp B 42  ? 29.057 80.185 53.279 1   72.735  ? 49  B 1 .
ATOM 2234 H H    . LEU Bxp B 42  ? 28.563 77.695 50.034 1   76.702  ? 49  B 1 c
ATOM 2235 H HA   . LEU Bxp B 42  ? 29.032 80.063 51.066 1   77.86   ? 49  B 1 c
ATOM 2236 H HB3  . LEU Bxp B 42  ? 31.186 78.796 51.822 1   70.012  ? 49  B 1 c
ATOM 2237 H HB2  . LEU Bxp B 42  ? 30.168 77.593 51.53  1   69.898  ? 49  B 1 c
ATOM 2238 H HG   . LEU Bxp B 42  ? 28.813 78.15  53.199 1   73.493  ? 49  B 1 c
ATOM 2239 H HD11 . LEU Bxp B 42  ? 30.961 77.579 54.077 1   80.32   ? 49  B 1 c
ATOM 2240 H HD12 . LEU Bxp B 42  ? 30.087 78.435 55.088 1   80.32   ? 49  B 1 c
ATOM 2241 H HD13 . LEU Bxp B 42  ? 31.255 79.126 54.266 1   80.32   ? 49  B 1 c
ATOM 2242 H HD21 . LEU Bxp B 42  ? 28.194 80.267 52.84  1   72.934  ? 49  B 1 c
ATOM 2243 H HD22 . LEU Bxp B 42  ? 29.685 80.815 52.887 1   72.9    ? 49  B 1 c
ATOM 2244 H HD23 . LEU Bxp B 42  ? 28.952 80.386 54.225 1   72.934  ? 49  B 1 c
ATOM 2245 N N    . THR Bxp B 43  ? 31.187 79.416 48.819 1   98.949  ? 50  B 1 .
ATOM 2246 C CA   . THR Bxp B 43  ? 32.229 80.052 48.033 1   101.494 ? 50  B 1 .
ATOM 2247 C C    . THR Bxp B 43  ? 31.625 81.102 47.09  1   104.806 ? 50  B 1 .
ATOM 2248 O O    . THR Bxp B 43  ? 32.343 81.738 46.32  1   124.133 ? 50  B 1 .
ATOM 2249 C CB   . THR Bxp B 43  ? 33.055 79.003 47.282 1   96.788  ? 50  B 1 .
ATOM 2250 O OG1  . THR Bxp B 43  ? 32.793 77.697 47.785 1   101.592 ? 50  B 1 .
ATOM 2251 C CG2  . THR Bxp B 43  ? 34.547 79.273 47.403 1   81.625  ? 50  B 1 .
ATOM 2252 H H    . THR Bxp B 43  ? 30.912 78.57  48.609 1   98.848  ? 50  B 1 c
ATOM 2253 H HA   . THR Bxp B 43  ? 32.832 80.516 48.655 1   100.664 ? 50  B 1 c
ATOM 2254 H HB   . THR Bxp B 43  ? 32.814 79.029 46.325 1   95.537  ? 50  B 1 c
ATOM 2255 H HG1  . THR Bxp B 43  ? 33.241 77.764 48.441 0   66.83   ? 50  B 1 c
ATOM 2256 H HG21 . THR Bxp B 43  ? 35.036 78.66  46.828 1   85.839  ? 50  B 1 c
ATOM 2257 H HG22 . THR Bxp B 43  ? 34.827 79.145 48.325 1   85.839  ? 50  B 1 c
ATOM 2258 H HG23 . THR Bxp B 43  ? 34.734 80.188 47.133 1   85.839  ? 50  B 1 c
ATOM 2259 N N    . VAL Bxp B 44  ? 30.301 81.295 47.148 1   102.566 ? 51  B 1 .
ATOM 2260 C CA   . VAL Bxp B 44  ? 29.6   82.185 46.233 1   92.084  ? 51  B 1 .
ATOM 2261 C C    . VAL Bxp B 44  ? 28.93  83.335 46.983 1   86.686  ? 51  B 1 .
ATOM 2262 O O    . VAL Bxp B 44  ? 28.872 84.443 46.461 1   96.401  ? 51  B 1 .
ATOM 2263 C CB   . VAL Bxp B 44  ? 28.536 81.415 45.445 1   88.056  ? 51  B 1 .
ATOM 2264 C CG1  . VAL Bxp B 44  ? 27.15  81.674 46.011 1   85.32   ? 51  B 1 .
ATOM 2265 C CG2  . VAL Bxp B 44  ? 28.578 81.779 43.97  1   91.879  ? 51  B 1 .
ATOM 2266 H H    . VAL Bxp B 44  ? 29.81  80.838 47.767 1   100.143 ? 51  B 1 c
ATOM 2267 H HA   . VAL Bxp B 44  ? 30.246 82.558 45.604 1   92.718  ? 51  B 1 c
ATOM 2268 H HB   . VAL Bxp B 44  ? 28.735 80.453 45.535 1   89.051  ? 51  B 1 c
ATOM 2269 H HG11 . VAL Bxp B 44  ? 26.699 82.345 45.472 1   86.043  ? 51  B 1 c
ATOM 2270 H HG12 . VAL Bxp B 44  ? 27.219 81.987 46.919 1   86.351  ? 51  B 1 c
ATOM 2271 H HG13 . VAL Bxp B 44  ? 26.641 80.848 45.997 1   85.931  ? 51  B 1 c
ATOM 2272 H HG21 . VAL Bxp B 44  ? 27.884 81.292 43.495 1   90.789  ? 51  B 1 c
ATOM 2273 H HG22 . VAL Bxp B 44  ? 29.446 81.544 43.602 1   90.799  ? 51  B 1 c
ATOM 2274 H HG23 . VAL Bxp B 44  ? 28.431 82.734 43.867 1   90.959  ? 51  B 1 c
ATOM 2275 N N    . LEU Bxp B 45  ? 28.417 83.075 48.194 1   82.041  ? 52  B 1 .
ATOM 2276 C CA   . LEU Bxp B 45  ? 27.82  84.114 49.015 1   86.88   ? 52  B 1 .
ATOM 2277 C C    . LEU Bxp B 45  ? 28.868 84.691 49.964 1   106.146 ? 52  B 1 .
ATOM 2278 O O    . LEU Bxp B 45  ? 28.501 85.352 50.929 1   123.417 ? 52  B 1 .
ATOM 2279 C CB   . LEU Bxp B 45  ? 26.56  83.704 49.782 1   79      ? 52  B 1 .
ATOM 2280 C CG   . LEU Bxp B 45  ? 26.175 82.224 49.847 1   86.988  ? 52  B 1 .
ATOM 2281 C CD1  . LEU Bxp B 45  ? 25.179 82.122 50.967 1   86.686  ? 52  B 1 .
ATOM 2282 C CD2  . LEU Bxp B 45  ? 25.469 81.628 48.661 1   98.371  ? 52  B 1 .
ATOM 2283 H H    . LEU Bxp B 45  ? 28.464 82.227 48.528 1   84.58   ? 52  B 1 c
ATOM 2284 H HA   . LEU Bxp B 45  ? 27.563 84.846 48.404 1   87.955  ? 52  B 1 c
ATOM 2285 H HB3  . LEU Bxp B 45  ? 25.801 84.195 49.391 1   82.61   ? 52  B 1 c
ATOM 2286 H HB2  . LEU Bxp B 45  ? 26.644 84.037 50.705 1   82.944  ? 52  B 1 c
ATOM 2287 H HG   . LEU Bxp B 45  ? 26.976 81.684 50.071 1   87.452  ? 52  B 1 c
ATOM 2288 H HD11 . LEU Bxp B 45  ? 25.588 82.425 51.795 1   86.744  ? 52  B 1 c
ATOM 2289 H HD12 . LEU Bxp B 45  ? 24.896 81.197 51.07  1   86.9    ? 52  B 1 c
ATOM 2290 H HD13 . LEU Bxp B 45  ? 24.405 82.676 50.768 1   86.857  ? 52  B 1 c
ATOM 2291 H HD21 . LEU Bxp B 45  ? 25.38  82.3   47.966 1   94.502  ? 52  B 1 c
ATOM 2292 H HD22 . LEU Bxp B 45  ? 24.585 81.322 48.923 1   94.536  ? 52  B 1 c
ATOM 2293 H HD23 . LEU Bxp B 45  ? 25.978 80.875 48.323 1   94.503  ? 52  B 1 c
ATOM 2294 N N    . THR Bxp B 46  ? 30.159 84.469 49.674 1   112.048 ? 53  B 1 .
ATOM 2295 C CA   . THR Bxp B 46  ? 31.244 85.091 50.414 1   117.06  ? 53  B 1 .
ATOM 2296 C C    . THR Bxp B 46  ? 32.085 85.916 49.449 1   112.852 ? 53  B 1 .
ATOM 2297 O O    . THR Bxp B 46  ? 32.572 86.979 49.813 1   127.1   ? 53  B 1 .
ATOM 2298 C CB   . THR Bxp B 46  ? 32.09  84.037 51.124 1   132.169 ? 53  B 1 .
ATOM 2299 O OG1  . THR Bxp B 46  ? 31.182 83.096 51.689 1   144.134 ? 53  B 1 .
ATOM 2300 C CG2  . THR Bxp B 46  ? 32.946 84.624 52.233 1   129.853 ? 53  B 1 .
ATOM 2301 H H    . THR Bxp B 46  ? 30.37  83.886 49.004 1   111.014 ? 53  B 1 c
ATOM 2302 H HA   . THR Bxp B 46  ? 30.862 85.691 51.09  1   117.852 ? 53  B 1 c
ATOM 2303 H HB   . THR Bxp B 46  ? 32.671 83.579 50.47  1   130.978 ? 53  B 1 c
ATOM 2304 H HG1  . THR Bxp B 46  ? 30.693 83.413 52.079 0   150.89  ? 53  B 1 c
ATOM 2305 H HG21 . THR Bxp B 46  ? 33.505 83.927 52.614 1   130.344 ? 53  B 1 c
ATOM 2306 H HG22 . THR Bxp B 46  ? 32.372 84.993 52.924 1   130.349 ? 53  B 1 c
ATOM 2307 H HG23 . THR Bxp B 46  ? 33.51  85.328 51.871 1   130.38  ? 53  B 1 c
ATOM 2308 N N    . LYS Bxp B 47  ? 32.267 85.415 48.225 1   106.823 ? 54  B 1 .
ATOM 2309 C CA   . LYS Bxp B 47  ? 32.582 86.29  47.109 1   114.696 ? 54  B 1 .
ATOM 2310 C C    . LYS Bxp B 47  ? 31.661 87.511 47.146 1   117.454 ? 54  B 1 .
ATOM 2311 O O    . LYS Bxp B 47  ? 32.064 88.599 46.725 1   102.824 ? 54  B 1 .
ATOM 2312 C CB   . LYS Bxp B 47  ? 32.431 85.571 45.759 1   124.22  ? 54  B 1 .
ATOM 2313 C CG   . LYS Bxp B 47  ? 32.805 86.413 44.519 1   129.43  ? 54  B 1 .
ATOM 2314 C CD   . LYS Bxp B 47  ? 32.734 85.758 43.138 1   137.794 ? 54  B 1 .
ATOM 2315 C CE   . LYS Bxp B 47  ? 31.385 85.242 42.715 1   134.601 ? 54  B 1 .
ATOM 2316 N NZ   . LYS Bxp B 47  ? 31.056 83.971 43.368 1   137.486 ? 54  B 1 .
ATOM 2317 H H    . LYS Bxp B 47  ? 32.216 84.513 48.085 1   110.129 ? 54  B 1 c
ATOM 2318 H HA   . LYS Bxp B 47  ? 33.519 86.595 47.207 1   115.25  ? 54  B 1 c
ATOM 2319 H HB3  . LYS Bxp B 47  ? 31.499 85.28  45.664 1   123.276 ? 54  B 1 c
ATOM 2320 H HB2  . LYS Bxp B 47  ? 32.994 84.768 45.767 1   123.158 ? 54  B 1 c
ATOM 2321 H HG3  . LYS Bxp B 47  ? 33.719 86.744 44.652 1   130.033 ? 54  B 1 c
ATOM 2322 H HG2  . LYS Bxp B 47  ? 32.221 87.201 44.508 1   129.852 ? 54  B 1 c
ATOM 2323 H HD3  . LYS Bxp B 47  ? 33.376 85.015 43.117 1   135.125 ? 54  B 1 c
ATOM 2324 H HD2  . LYS Bxp B 47  ? 33.038 86.415 42.474 1   135.115 ? 54  B 1 c
ATOM 2325 H HE3  . LYS Bxp B 47  ? 31.375 85.114 41.75  1   136.004 ? 54  B 1 c
ATOM 2326 H HE2  . LYS Bxp B 47  ? 30.702 85.9   42.94  1   136     ? 54  B 1 c
ATOM 2327 H HZ1  . LYS Bxp B 47  ? 30.371 84.101 43.946 1   135.71  ? 54  B 1 c
ATOM 2328 H HZ2  . LYS Bxp B 47  ? 31.77  83.645 43.821 1   136.325 ? 54  B 1 c
ATOM 2329 H HZ3  . LYS Bxp B 47  ? 30.803 83.366 42.743 1   136.37  ? 54  B 1 c
ATOM 2330 N N    . GLU Bxp B 48  ? 30.428 87.313 47.651 1   129.268 ? 55  B 1 .
ATOM 2331 C CA   . GLU Bxp B 48  ? 29.368 88.31  47.575 1   136.513 ? 55  B 1 .
ATOM 2332 C C    . GLU Bxp B 48  ? 29.705 89.509 48.462 1   141.885 ? 55  B 1 .
ATOM 2333 O O    . GLU Bxp B 48  ? 29.253 90.614 48.194 1   133.222 ? 55  B 1 .
ATOM 2334 C CB   . GLU Bxp B 48  ? 28.004 87.714 47.936 1   120.624 ? 55  B 1 .
ATOM 2335 C CG   . GLU Bxp B 48  ? 26.883 88.175 47.009 1   118.867 ? 55  B 1 .
ATOM 2336 C CD   . GLU Bxp B 48  ? 25.592 87.384 47.145 1   124.824 ? 55  B 1 .
ATOM 2337 O OE1  . GLU Bxp B 48  ? 24.951 87.538 48.198 1   148.379 ? 55  B 1 .
ATOM 2338 O OE2  . GLU Bxp B 48  ? 25.228 86.603 46.235 1   110.415 ? 55  B 1 .
ATOM 2339 H H    . GLU Bxp B 48  ? 30.233 86.508 48.036 1   127.337 ? 55  B 1 c
ATOM 2340 H HA   . GLU Bxp B 48  ? 29.322 88.63  46.638 1   132.726 ? 55  B 1 c
ATOM 2341 H HB3  . GLU Bxp B 48  ? 27.782 87.958 48.859 1   123.646 ? 55  B 1 c
ATOM 2342 H HB2  . GLU Bxp B 48  ? 28.063 86.74  47.891 1   123.151 ? 55  B 1 c
ATOM 2343 H HG3  . GLU Bxp B 48  ? 27.19  88.108 46.08  1   120.693 ? 55  B 1 c
ATOM 2344 H HG2  . GLU Bxp B 48  ? 26.689 89.119 47.189 1   120.625 ? 55  B 1 c
ATOM 2345 N N    . GLN Bxp B 49  ? 30.488 89.281 49.523 1   146.938 ? 56  B 1 .
ATOM 2346 C CA   . GLN Bxp B 49  ? 31.124 90.35  50.279 1   131.83  ? 56  B 1 .
ATOM 2347 C C    . GLN Bxp B 49  ? 30.071 91.247 50.936 1   122.489 ? 56  B 1 .
ATOM 2348 O O    . GLN Bxp B 49  ? 30.193 92.465 50.913 1   158.228 ? 56  B 1 .
ATOM 2349 C CB   . GLN Bxp B 49  ? 32.068 91.07  49.309 1   131.395 ? 56  B 1 .
ATOM 2350 C CG   . GLN Bxp B 49  ? 33.392 91.512 49.918 1   130.725 ? 56  B 1 .
ATOM 2351 C CD   . GLN Bxp B 49  ? 33.995 90.446 50.803 1   119.564 ? 56  B 1 .
ATOM 2352 O OE1  . GLN Bxp B 49  ? 34.242 90.664 51.992 1   93.053  ? 56  B 1 .
ATOM 2353 N NE2  . GLN Bxp B 49  ? 34.191 89.264 50.24  1   130.992 ? 56  B 1 .
ATOM 2354 H H    . GLN Bxp B 49  ? 30.622 88.419 49.796 1   141.881 ? 56  B 1 c
ATOM 2355 H HA   . GLN Bxp B 49  ? 31.66  89.933 50.998 1   132.667 ? 56  B 1 c
ATOM 2356 H HB3  . GLN Bxp B 49  ? 31.609 91.857 48.949 1   131.43  ? 56  B 1 c
ATOM 2357 H HB2  . GLN Bxp B 49  ? 32.258 90.472 48.557 1   131.334 ? 56  B 1 c
ATOM 2358 H HG3  . GLN Bxp B 49  ? 33.251 92.325 50.449 1   128.219 ? 56  B 1 c
ATOM 2359 H HG2  . GLN Bxp B 49  ? 34.025 91.727 49.201 1   128.219 ? 56  B 1 c
ATOM 2360 H HE21 . GLN Bxp B 49  ? 33.993 88.523 50.685 1   127.362 ? 56  B 1 c
ATOM 2361 H HE22 . GLN Bxp B 49  ? 34.521 89.216 49.418 1   127.362 ? 56  B 1 c
ATOM 2362 N N    . LYS Bxp B 50  ? 29.057 90.638 51.557 1   126.725 ? 57  B 1 .
ATOM 2363 C CA   . LYS Bxp B 50  ? 28.04  91.366 52.295 1   131.198 ? 57  B 1 .
ATOM 2364 C C    . LYS Bxp B 50  ? 28.371 91.337 53.79  1   139.721 ? 57  B 1 .
ATOM 2365 O O    . LYS Bxp B 50  ? 29.142 90.492 54.265 1   125.453 ? 57  B 1 .
ATOM 2366 C CB   . LYS Bxp B 50  ? 26.659 90.771 51.989 1   127.194 ? 57  B 1 .
ATOM 2367 C CG   . LYS Bxp B 50  ? 26.047 91.116 50.634 1   128.752 ? 57  B 1 .
ATOM 2368 C CD   . LYS Bxp B 50  ? 24.61  90.614 50.479 1   149.029 ? 57  B 1 .
ATOM 2369 C CE   . LYS Bxp B 50  ? 24.047 90.644 49.074 1   163.867 ? 57  B 1 .
ATOM 2370 N NZ   . LYS Bxp B 50  ? 22.788 89.902 48.884 1   157.347 ? 57  B 1 .
ATOM 2371 H H    . LYS Bxp B 50  ? 29.002 89.726 51.524 1   126.867 ? 57  B 1 c
ATOM 2372 H HA   . LYS Bxp B 50  ? 28.046 92.307 51.988 1   131.33  ? 57  B 1 c
ATOM 2373 H HB3  . LYS Bxp B 50  ? 26.035 91.062 52.687 1   128.838 ? 57  B 1 c
ATOM 2374 H HB2  . LYS Bxp B 50  ? 26.727 89.794 52.051 1   128.515 ? 57  B 1 c
ATOM 2375 H HG3  . LYS Bxp B 50  ? 26.603 90.721 49.927 1   132.723 ? 57  B 1 c
ATOM 2376 H HG2  . LYS Bxp B 50  ? 26.061 92.091 50.521 1   132.723 ? 57  B 1 c
ATOM 2377 H HD3  . LYS Bxp B 50  ? 24.032 91.156 51.059 1   147.321 ? 57  B 1 c
ATOM 2378 H HD2  . LYS Bxp B 50  ? 24.57  89.692 50.813 1   147.321 ? 57  B 1 c
ATOM 2379 H HE3  . LYS Bxp B 50  ? 24.713 90.277 48.466 1   158.801 ? 57  B 1 c
ATOM 2380 H HE2  . LYS Bxp B 50  ? 23.899 91.571 48.816 1   158.695 ? 57  B 1 c
ATOM 2381 H HZ1  . LYS Bxp B 50  ? 22.122 90.304 49.349 1   159.252 ? 57  B 1 c
ATOM 2382 H HZ2  . LYS Bxp B 50  ? 22.886 89.051 49.181 1   159.252 ? 57  B 1 c
ATOM 2383 H HZ3  . LYS Bxp B 50  ? 22.571 89.887 48.005 1   159.014 ? 57  B 1 c
ATOM 2384 N N    . PRO Bxp B 51  ? 27.783 92.255 54.596 1   153.979 ? 58  B 1 .
ATOM 2385 C CA   . PRO Bxp B 51  ? 28.01  92.257 56.039 1   146.342 ? 58  B 1 .
ATOM 2386 C C    . PRO Bxp B 51  ? 27.209 91.182 56.772 1   138.023 ? 58  B 1 .
ATOM 2387 O O    . PRO Bxp B 51  ? 26.512 91.492 57.726 1   103.355 ? 58  B 1 .
ATOM 2388 C CB   . PRO Bxp B 51  ? 27.6   93.677 56.444 1   146.367 ? 58  B 1 .
ATOM 2389 C CG   . PRO Bxp B 51  ? 26.512 94.032 55.432 1   149.878 ? 58  B 1 .
ATOM 2390 C CD   . PRO Bxp B 51  ? 26.884 93.339 54.152 1   144.063 ? 58  B 1 .
ATOM 2391 H HA   . PRO Bxp B 51  ? 28.966 92.132 56.219 1   146.067 ? 58  B 1 c
ATOM 2392 H HB3  . PRO Bxp B 51  ? 28.356 94.292 56.374 1   147.064 ? 58  B 1 c
ATOM 2393 H HB2  . PRO Bxp B 51  ? 27.253 93.701 57.356 1   146.738 ? 58  B 1 c
ATOM 2394 H HG3  . PRO Bxp B 51  ? 26.471 94.999 55.296 1   147.737 ? 58  B 1 c
ATOM 2395 H HG2  . PRO Bxp B 51  ? 25.638 93.724 55.744 1   147.737 ? 58  B 1 c
ATOM 2396 H HD3  . PRO Bxp B 51  ? 26.096 92.975 53.707 1   147.266 ? 58  B 1 c
ATOM 2397 H HD2  . PRO Bxp B 51  ? 27.348 93.945 53.543 1   147.441 ? 58  B 1 c
ATOM 2398 N N    . TYR Bxp B 52  ? 27.309 89.921 56.323 1   151.192 ? 59  B 1 .
ATOM 2399 C CA   . TYR Bxp B 52  ? 26.4   88.87  56.764 1   138.406 ? 59  B 1 .
ATOM 2400 C C    . TYR Bxp B 52  ? 27.175 87.663 57.281 1   124.005 ? 59  B 1 .
ATOM 2401 O O    . TYR Bxp B 52  ? 28.294 87.396 56.851 1   115.386 ? 59  B 1 .
ATOM 2402 C CB   . TYR Bxp B 52  ? 25.467 88.431 55.632 1   125.492 ? 59  B 1 .
ATOM 2403 C CG   . TYR Bxp B 52  ? 24.135 89.165 55.598 1   135.587 ? 59  B 1 .
ATOM 2404 C CD1  . TYR Bxp B 52  ? 24.001 90.423 55.015 1   152.189 ? 59  B 1 .
ATOM 2405 C CD2  . TYR Bxp B 52  ? 23     88.586 56.141 1   146.545 ? 59  B 1 .
ATOM 2406 C CE1  . TYR Bxp B 52  ? 22.772 91.072 54.95  1   158.447 ? 59  B 1 .
ATOM 2407 C CE2  . TYR Bxp B 52  ? 21.772 89.227 56.095 1   176.071 ? 59  B 1 .
ATOM 2408 C CZ   . TYR Bxp B 52  ? 21.652 90.471 55.502 1   173.698 ? 59  B 1 .
ATOM 2409 O OH   . TYR Bxp B 52  ? 20.408 91.042 55.497 1   160.246 ? 59  B 1 .
ATOM 2410 H H    . TYR Bxp B 52  ? 27.974 89.706 55.735 1   145.049 ? 59  B 1 c
ATOM 2411 H HA   . TYR Bxp B 52  ? 25.844 89.226 57.506 1   134.871 ? 59  B 1 c
ATOM 2412 H HB3  . TYR Bxp B 52  ? 25.295 87.467 55.724 1   130.775 ? 59  B 1 c
ATOM 2413 H HB2  . TYR Bxp B 52  ? 25.929 88.572 54.776 1   130.746 ? 59  B 1 c
ATOM 2414 H HD1  . TYR Bxp B 52  ? 24.757 90.834 54.626 1   149.521 ? 59  B 1 c
ATOM 2415 H HD2  . TYR Bxp B 52  ? 23.062 87.733 56.539 1   149.583 ? 59  B 1 c
ATOM 2416 H HE1  . TYR Bxp B 52  ? 22.705 91.923 54.552 1   160.069 ? 59  B 1 c
ATOM 2417 H HE2  . TYR Bxp B 52  ? 21.013 88.816 56.467 1   167.303 ? 59  B 1 c
ATOM 2418 H HH   . TYR Bxp B 52  ? 20.463 91.895 55.125 0   92.64   ? 59  B 1 c
ATOM 2419 N N    . LYS Bxp B 53  ? 26.552 86.961 58.229 1   110.672 ? 60  B 1 .
ATOM 2420 C CA   . LYS Bxp B 53  ? 26.932 85.605 58.565 1   103.469 ? 60  B 1 .
ATOM 2421 C C    . LYS Bxp B 53  ? 25.974 84.664 57.855 1   91.534  ? 60  B 1 .
ATOM 2422 O O    . LYS Bxp B 53  ? 24.813 85.002 57.661 1   123.088 ? 60  B 1 .
ATOM 2423 C CB   . LYS Bxp B 53  ? 26.846 85.354 60.071 1   103.645 ? 60  B 1 .
ATOM 2424 C CG   . LYS Bxp B 53  ? 27.751 86.241 60.888 1   107.018 ? 60  B 1 .
ATOM 2425 C CD   . LYS Bxp B 53  ? 27.526 86.096 62.388 1   101.296 ? 60  B 1 .
ATOM 2426 C CE   . LYS Bxp B 53  ? 28.147 87.236 63.132 1   94.811  ? 60  B 1 .
ATOM 2427 N NZ   . LYS Bxp B 53  ? 27.546 87.432 64.446 1   87.172  ? 60  B 1 .
ATOM 2428 H H    . LYS Bxp B 53  ? 25.862 87.347 58.688 1   112.278 ? 60  B 1 c
ATOM 2429 H HA   . LYS Bxp B 53  ? 27.855 85.438 58.247 1   102.601 ? 60  B 1 c
ATOM 2430 H HB3  . LYS Bxp B 53  ? 27.079 84.418 60.251 1   104.356 ? 60  B 1 c
ATOM 2431 H HB2  . LYS Bxp B 53  ? 25.921 85.495 60.365 1   104.279 ? 60  B 1 c
ATOM 2432 H HG3  . LYS Bxp B 53  ? 27.597 87.174 60.627 1   104.808 ? 60  B 1 c
ATOM 2433 H HG2  . LYS Bxp B 53  ? 28.684 86.017 60.679 1   104.896 ? 60  B 1 c
ATOM 2434 H HD3  . LYS Bxp B 53  ? 27.923 85.253 62.696 1   100.723 ? 60  B 1 c
ATOM 2435 H HD2  . LYS Bxp B 53  ? 26.562 86.073 62.571 1   100.886 ? 60  B 1 c
ATOM 2436 H HE3  . LYS Bxp B 53  ? 28.043 88.056 62.619 1   94.589  ? 60  B 1 c
ATOM 2437 H HE2  . LYS Bxp B 53  ? 29.1   87.068 63.243 1   94.4    ? 60  B 1 c
ATOM 2438 H HZ1  . LYS Bxp B 53  ? 27.902 86.821 65.001 1   90.065  ? 60  B 1 c
ATOM 2439 H HZ2  . LYS Bxp B 53  ? 26.647 87.327 64.407 1   89.867  ? 60  B 1 c
ATOM 2440 H HZ3  . LYS Bxp B 53  ? 27.736 88.268 64.734 1   89.826  ? 60  B 1 c
ATOM 2441 N N    . TYR Bxp B 54  ? 26.467 83.477 57.507 1   82.988  ? 61  B 1 .
ATOM 2442 C CA   . TYR Bxp B 54  ? 25.656 82.502 56.808 1   86.444  ? 61  B 1 .
ATOM 2443 C C    . TYR Bxp B 54  ? 25.74  81.124 57.464 1   80.011  ? 61  B 1 .
ATOM 2444 O O    . TYR Bxp B 54  ? 26.725 80.769 58.099 1   75.728  ? 61  B 1 .
ATOM 2445 C CB   . TYR Bxp B 54  ? 26.132 82.455 55.362 1   94.751  ? 61  B 1 .
ATOM 2446 C CG   . TYR Bxp B 54  ? 25.934 83.743 54.578 1   105.666 ? 61  B 1 .
ATOM 2447 C CD1  . TYR Bxp B 54  ? 24.67  84.152 54.159 1   107.104 ? 61  B 1 .
ATOM 2448 C CD2  . TYR Bxp B 54  ? 27.022 84.524 54.211 1   114.324 ? 61  B 1 .
ATOM 2449 C CE1  . TYR Bxp B 54  ? 24.499 85.305 53.404 1   114.729 ? 61  B 1 .
ATOM 2450 C CE2  . TYR Bxp B 54  ? 26.861 85.68  53.465 1   126.012 ? 61  B 1 .
ATOM 2451 C CZ   . TYR Bxp B 54  ? 25.6   86.069 53.052 1   119.399 ? 61  B 1 .
ATOM 2452 O OH   . TYR Bxp B 54  ? 25.498 87.207 52.308 1   103.58  ? 61  B 1 .
ATOM 2453 H H    . TYR Bxp B 54  ? 27.333 83.267 57.712 1   85.972  ? 61  B 1 c
ATOM 2454 H HA   . TYR Bxp B 54  ? 24.713 82.805 56.822 1   86.16   ? 61  B 1 c
ATOM 2455 H HB3  . TYR Bxp B 54  ? 25.654 81.73  54.902 1   95.075  ? 61  B 1 c
ATOM 2456 H HB2  . TYR Bxp B 54  ? 27.089 82.227 55.358 1   95.318  ? 61  B 1 c
ATOM 2457 H HD1  . TYR Bxp B 54  ? 23.917 83.629 54.378 1   108.475 ? 61  B 1 c
ATOM 2458 H HD2  . TYR Bxp B 54  ? 27.889 84.262 54.476 1   114.525 ? 61  B 1 c
ATOM 2459 H HE1  . TYR Bxp B 54  ? 23.637 85.566 53.128 1   113.848 ? 61  B 1 c
ATOM 2460 H HE2  . TYR Bxp B 54  ? 27.613 86.196 53.227 1   121.236 ? 61  B 1 c
ATOM 2461 H HH   . TYR Bxp B 54  ? 24.6   87.293 52.243 0   87.97   ? 61  B 1 c
ATOM 2462 N N    . ILE Bxp B 55  ? 24.661 80.355 57.303 1   78.503  ? 62  B 1 .
ATOM 2463 C CA   . ILE Bxp B 55  ? 24.624 78.945 57.645 1   73.429  ? 62  B 1 .
ATOM 2464 C C    . ILE Bxp B 55  ? 23.936 78.205 56.498 1   78.862  ? 62  B 1 .
ATOM 2465 O O    . ILE Bxp B 55  ? 22.941 78.694 55.966 1   75.337  ? 62  B 1 .
ATOM 2466 C CB   . ILE Bxp B 55  ? 23.892 78.74  58.975 1   68.289  ? 62  B 1 .
ATOM 2467 C CG1  . ILE Bxp B 55  ? 24.585 79.475 60.093 1   72.717  ? 62  B 1 .
ATOM 2468 C CG2  . ILE Bxp B 55  ? 23.743 77.255 59.293 1   67.517  ? 62  B 1 .
ATOM 2469 C CD1  . ILE Bxp B 55  ? 23.815 79.431 61.399 1   82.312  ? 62  B 1 .
ATOM 2470 H H    . ILE Bxp B 55  ? 23.902 80.735 56.962 1   77.806  ? 62  B 1 c
ATOM 2471 H HA   . ILE Bxp B 55  ? 25.539 78.615 57.734 1   74.422  ? 62  B 1 c
ATOM 2472 H HB   . ILE Bxp B 55  ? 22.995 79.118 58.882 1   69.895  ? 62  B 1 c
ATOM 2473 H HG12 . ILE Bxp B 55  ? 24.708 80.41  59.833 1   73.82   ? 62  B 1 c
ATOM 2474 H HG13 . ILE Bxp B 55  ? 25.47  79.081 60.232 1   73.829  ? 62  B 1 c
ATOM 2475 H HG21 . ILE Bxp B 55  ? 23.175 77.142 60.073 1   67.926  ? 62  B 1 c
ATOM 2476 H HG22 . ILE Bxp B 55  ? 24.618 76.872 59.474 1   67.805  ? 62  B 1 c
ATOM 2477 H HG23 . ILE Bxp B 55  ? 23.341 76.796 58.538 1   67.883  ? 62  B 1 c
ATOM 2478 H HD11 . ILE Bxp B 55  ? 22.96  79.888 61.287 1   79.358  ? 62  B 1 c
ATOM 2479 H HD12 . ILE Bxp B 55  ? 24.332 79.878 62.096 1   79.342  ? 62  B 1 c
ATOM 2480 H HD13 . ILE Bxp B 55  ? 23.655 78.507 61.659 1   79.399  ? 62  B 1 c
ATOM 2481 N N    . VAL Bxp B 56  ? 24.46  77.019 56.143 1   75.778  ? 63  B 1 .
ATOM 2482 C CA   . VAL Bxp B 56  ? 24.116 76.348 54.9   1   67.075  ? 63  B 1 .
ATOM 2483 C C    . VAL Bxp B 56  ? 24.068 74.844 55.111 1   79.37   ? 63  B 1 .
ATOM 2484 O O    . VAL Bxp B 56  ? 25.114 74.245 55.377 1   102.037 ? 63  B 1 .
ATOM 2485 C CB   . VAL Bxp B 56  ? 25.175 76.689 53.844 1   63.881  ? 63  B 1 .
ATOM 2486 C CG1  . VAL Bxp B 56  ? 24.921 75.95  52.551 1   61.676  ? 63  B 1 .
ATOM 2487 C CG2  . VAL Bxp B 56  ? 25.25  78.189 53.587 1   76.509  ? 63  B 1 .
ATOM 2488 H H    . VAL Bxp B 56  ? 25.057 76.614 56.705 1   74.442  ? 63  B 1 c
ATOM 2489 H HA   . VAL Bxp B 56  ? 23.243 76.661 54.594 1   70.624  ? 63  B 1 c
ATOM 2490 H HB   . VAL Bxp B 56  ? 26.047 76.396 54.197 1   66.53   ? 63  B 1 c
ATOM 2491 H HG11 . VAL Bxp B 56  ? 23.964 75.909 52.382 1   62.472  ? 63  B 1 c
ATOM 2492 H HG12 . VAL Bxp B 56  ? 25.275 75.047 52.616 1   62.457  ? 63  B 1 c
ATOM 2493 H HG13 . VAL Bxp B 56  ? 25.358 76.413 51.817 1   62.517  ? 63  B 1 c
ATOM 2494 H HG21 . VAL Bxp B 56  ? 25.682 78.355 52.732 1   72.394  ? 63  B 1 c
ATOM 2495 H HG22 . VAL Bxp B 56  ? 25.763 78.614 54.295 1   72.532  ? 63  B 1 c
ATOM 2496 H HG23 . VAL Bxp B 56  ? 24.352 78.561 53.573 1   72.508  ? 63  B 1 c
ATOM 2497 N N    . THR Bxp B 57  ? 22.882 74.235 54.917 1   78.825  ? 64  B 1 .
ATOM 2498 C CA   . THR Bxp B 57  ? 22.73  72.783 55.017 1   82.625  ? 64  B 1 .
ATOM 2499 C C    . THR Bxp B 57  ? 22.408 72.157 53.663 1   79.534  ? 64  B 1 .
ATOM 2500 O O    . THR Bxp B 57  ? 21.797 72.809 52.826 1   111.303 ? 64  B 1 .
ATOM 2501 C CB   . THR Bxp B 57  ? 21.651 72.433 56.042 1   92.187  ? 64  B 1 .
ATOM 2502 O OG1  . THR Bxp B 57  ? 22.371 72.426 57.273 1   102.422 ? 64  B 1 .
ATOM 2503 C CG2  . THR Bxp B 57  ? 20.999 71.063 55.842 1   98.384  ? 64  B 1 .
ATOM 2504 H H    . THR Bxp B 57  ? 22.146 74.74  54.718 1   79.614  ? 64  B 1 c
ATOM 2505 H HA   . THR Bxp B 57  ? 23.58  72.411 55.33  1   83.112  ? 64  B 1 c
ATOM 2506 H HB   . THR Bxp B 57  ? 20.96  73.137 56.065 1   93.27   ? 64  B 1 c
ATOM 2507 H HG1  . THR Bxp B 57  ? 23     72.406 57.524 0   216.13  ? 64  B 1 c
ATOM 2508 H HG21 . THR Bxp B 57  ? 20.439 70.858 56.609 1   96.456  ? 64  B 1 c
ATOM 2509 H HG22 . THR Bxp B 57  ? 21.688 70.383 55.755 1   96.329  ? 64  B 1 c
ATOM 2510 H HG23 . THR Bxp B 57  ? 20.451 71.075 55.039 1   96.378  ? 64  B 1 c
ATOM 2511 N N    . ALA Bxp B 58  ? 22.818 70.89  53.491 1   83.762  ? 65  B 1 .
ATOM 2512 C CA   . ALA Bxp B 58  ? 22.307 70     52.451 1   94.006  ? 65  B 1 .
ATOM 2513 C C    . ALA Bxp B 58  ? 21.872 68.648 53.041 1   89.547  ? 65  B 1 .
ATOM 2514 O O    . ALA Bxp B 58  ? 22.651 68.018 53.755 1   79.4    ? 65  B 1 .
ATOM 2515 C CB   . ALA Bxp B 58  ? 23.361 69.817 51.377 1   91.026  ? 65  B 1 .
ATOM 2516 H H    . ALA Bxp B 58  ? 23.456 70.562 54.058 1   84.892  ? 65  B 1 c
ATOM 2517 H HA   . ALA Bxp B 58  ? 21.508 70.43  52.043 1   90.622  ? 65  B 1 c
ATOM 2518 H HB3  . ALA Bxp B 58  ? 23.011 69.251 50.669 1   91.898  ? 65  B 1 c
ATOM 2519 H HB2  . ALA Bxp B 58  ? 24.151 69.399 51.761 1   91.898  ? 65  B 1 c
ATOM 2520 H HB1  . ALA Bxp B 58  ? 23.604 70.682 51.006 1   91.898  ? 65  B 1 c
ATOM 2521 N N    . MET Bxp B 59  ? 20.616 68.235 52.766 1   87.709  ? 66  B 1 .
ATOM 2522 C CA   . MET Bxp B 59  ? 20.197 66.835 52.835 1   90.182  ? 66  B 1 .
ATOM 2523 C C    . MET Bxp B 59  ? 20.385 66.22  51.451 1   80.567  ? 66  B 1 .
ATOM 2524 O O    . MET Bxp B 59  ? 20.236 66.907 50.43  1   68.502  ? 66  B 1 .
ATOM 2525 C CB   . MET Bxp B 59  ? 18.708 66.603 53.188 1   94.172  ? 66  B 1 .
ATOM 2526 C CG   . MET Bxp B 59  ? 18.389 66.259 54.625 1   98.664  ? 66  B 1 .
ATOM 2527 S SD   . MET Bxp B 59  ? 19.095 67.438 55.804 1   174.833 ? 66  B 1 .
ATOM 2528 C CE   . MET Bxp B 59  ? 18.955 66.457 57.309 1   162.326 ? 66  B 1 .
ATOM 2529 H H    . MET Bxp B 59  ? 19.994 68.86  52.526 1   88.789  ? 66  B 1 c
ATOM 2530 H HA   . MET Bxp B 59  ? 20.772 66.361 53.485 1   88.516  ? 66  B 1 c
ATOM 2531 H HB3  . MET Bxp B 59  ? 18.369 65.88  52.618 1   94.165  ? 66  B 1 c
ATOM 2532 H HB2  . MET Bxp B 59  ? 18.211 67.415 52.949 1   94.212  ? 66  B 1 c
ATOM 2533 H HG3  . MET Bxp B 59  ? 18.735 65.368 54.828 1   109.035 ? 66  B 1 c
ATOM 2534 H HG2  . MET Bxp B 59  ? 17.418 66.239 54.744 1   109.034 ? 66  B 1 c
ATOM 2535 H HE3  . MET Bxp B 59  ? 19.628 65.753 57.303 1   163.73  ? 66  B 1 c
ATOM 2536 H HE2  . MET Bxp B 59  ? 18.071 66.046 57.345 1   165.347 ? 66  B 1 c
ATOM 2537 H HE1  . MET Bxp B 59  ? 19.093 67.031 58.085 1   165.235 ? 66  B 1 c
ATOM 2538 N N    . ILE Bxp B 60  ? 20.722 64.92  51.461 1   74.558  ? 67  B 1 .
ATOM 2539 C CA   . ILE Bxp B 60  ? 20.38  64.018 50.378 1   72.794  ? 67  B 1 .
ATOM 2540 C C    . ILE Bxp B 60  ? 19.878 62.723 50.992 1   78.001  ? 67  B 1 .
ATOM 2541 O O    . ILE Bxp B 60  ? 20.664 62.064 51.674 1   67.408  ? 67  B 1 .
ATOM 2542 C CB   . ILE Bxp B 60  ? 21.547 63.742 49.415 1   71.528  ? 67  B 1 .
ATOM 2543 C CG1  . ILE Bxp B 60  ? 22.004 65.022 48.715 1   67.445  ? 67  B 1 .
ATOM 2544 C CG2  . ILE Bxp B 60  ? 21.161 62.651 48.405 1   77.056  ? 67  B 1 .
ATOM 2545 C CD1  . ILE Bxp B 60  ? 23.107 64.818 47.702 1   64.806  ? 67  B 1 .
ATOM 2546 H H    . ILE Bxp B 60  ? 21.191 64.589 52.173 1   75.743  ? 67  B 1 c
ATOM 2547 H HA   . ILE Bxp B 60  ? 19.652 64.42  49.864 1   73.99   ? 67  B 1 c
ATOM 2548 H HB   . ILE Bxp B 60  ? 22.298 63.408 49.946 1   71.963  ? 67  B 1 c
ATOM 2549 H HG12 . ILE Bxp B 60  ? 22.317 65.654 49.393 1   67.814  ? 67  B 1 c
ATOM 2550 H HG13 . ILE Bxp B 60  ? 21.233 65.424 48.264 1   67.743  ? 67  B 1 c
ATOM 2551 H HG21 . ILE Bxp B 60  ? 21.661 62.771 47.581 1   75.175  ? 67  B 1 c
ATOM 2552 H HG22 . ILE Bxp B 60  ? 20.21  62.706 48.214 1   75.491  ? 67  B 1 c
ATOM 2553 H HG23 . ILE Bxp B 60  ? 21.364 61.776 48.777 1   75.383  ? 67  B 1 c
ATOM 2554 H HD11 . ILE Bxp B 60  ? 23.63  64.028 47.937 1   65.735  ? 67  B 1 c
ATOM 2555 H HD12 . ILE Bxp B 60  ? 23.69  65.601 47.695 1   65.626  ? 67  B 1 c
ATOM 2556 H HD13 . ILE Bxp B 60  ? 22.719 64.697 46.814 1   65.674  ? 67  B 1 c
ATOM 2557 N N    . MET Bxp B 61  ? 18.6   62.389 50.69  1   87.499  ? 68  B 1 .
ATOM 2558 C CA   . MET Bxp B 61  ? 17.978 61.134 51.097 1   82.595  ? 68  B 1 .
ATOM 2559 C C    . MET Bxp B 61  ? 17.584 60.311 49.882 1   73.766  ? 68  B 1 .
ATOM 2560 O O    . MET Bxp B 61  ? 16.836 60.765 49.033 1   68.845  ? 68  B 1 .
ATOM 2561 C CB   . MET Bxp B 61  ? 16.692 61.314 51.911 1   86.979  ? 68  B 1 .
ATOM 2562 C CG   . MET Bxp B 61  ? 16.441 60.156 52.895 1   95.558  ? 68  B 1 .
ATOM 2563 S SD   . MET Bxp B 61  ? 14.763 59.942 53.524 1   103.782 ? 68  B 1 .
ATOM 2564 C CE   . MET Bxp B 61  ? 14.021 59.251 52.035 1   119.154 ? 68  B 1 .
ATOM 2565 H H    . MET Bxp B 61  ? 18.097 62.979 50.207 1   83.851  ? 68  B 1 c
ATOM 2566 H HA   . MET Bxp B 61  ? 18.633 60.621 51.632 1   82.613  ? 68  B 1 c
ATOM 2567 H HB3  . MET Bxp B 61  ? 15.931 61.388 51.298 1   87.749  ? 68  B 1 c
ATOM 2568 H HB2  . MET Bxp B 61  ? 16.754 62.153 52.415 1   87.791  ? 68  B 1 c
ATOM 2569 H HG3  . MET Bxp B 61  ? 17.033 60.273 53.664 1   94.939  ? 68  B 1 c
ATOM 2570 H HG2  . MET Bxp B 61  ? 16.703 59.32  52.459 1   94.833  ? 68  B 1 c
ATOM 2571 H HE3  . MET Bxp B 61  ? 14.21  58.296 51.992 1   114.894 ? 68  B 1 c
ATOM 2572 H HE2  . MET Bxp B 61  ? 14.389 59.699 51.251 1   114.597 ? 68  B 1 c
ATOM 2573 H HE1  . MET Bxp B 61  ? 13.056 59.388 52.061 1   114.969 ? 68  B 1 c
ATOM 2574 N N    . GLN Bxp B 62  ? 18.074 59.075 49.855 1   85.501  ? 69  B 1 .
ATOM 2575 C CA   . GLN Bxp B 62  ? 17.669 58.094 48.869 1   90.406  ? 69  B 1 .
ATOM 2576 C C    . GLN Bxp B 62  ? 16.152 57.953 48.886 1   99.554  ? 69  B 1 .
ATOM 2577 O O    . GLN Bxp B 62  ? 15.53  57.961 49.953 1   101.043 ? 69  B 1 .
ATOM 2578 C CB   . GLN Bxp B 62  ? 18.306 56.757 49.239 1   88.138  ? 69  B 1 .
ATOM 2579 C CG   . GLN Bxp B 62  ? 18.94  56.038 48.06  1   88.309  ? 69  B 1 .
ATOM 2580 C CD   . GLN Bxp B 62  ? 19.465 54.669 48.421 1   88.86   ? 69  B 1 .
ATOM 2581 O OE1  . GLN Bxp B 62  ? 19.977 53.942 47.556 1   98.691  ? 69  B 1 .
ATOM 2582 N NE2  . GLN Bxp B 62  ? 19.32  54.302 49.69  1   79.027  ? 69  B 1 .
ATOM 2583 H H    . GLN Bxp B 62  ? 18.696 58.835 50.48  1   83.661  ? 69  B 1 c
ATOM 2584 H HA   . GLN Bxp B 62  ? 17.971 58.393 47.976 1   90.757  ? 69  B 1 c
ATOM 2585 H HB3  . GLN Bxp B 62  ? 17.617 56.18  49.629 1   88.799  ? 69  B 1 c
ATOM 2586 H HB2  . GLN Bxp B 62  ? 18.991 56.906 49.923 1   88.757  ? 69  B 1 c
ATOM 2587 H HG3  . GLN Bxp B 62  ? 19.671 56.578 47.712 1   88.088  ? 69  B 1 c
ATOM 2588 H HG2  . GLN Bxp B 62  ? 18.275 55.941 47.345 1   88.337  ? 69  B 1 c
ATOM 2589 H HE21 . GLN Bxp B 62  ? 20.034 54.23  50.21  1   82.336  ? 69  B 1 c
ATOM 2590 H HE22 . GLN Bxp B 62  ? 18.515 54.107 50.004 1   82.331  ? 69  B 1 c
ATOM 2591 N N    . LYS Bxp B 63  ? 15.581 57.785 47.69  1   101.728 ? 70  B 1 .
ATOM 2592 C CA   . LYS Bxp B 63  ? 14.184 57.404 47.568 1   118.72  ? 70  B 1 .
ATOM 2593 C C    . LYS Bxp B 63  ? 14.063 55.883 47.647 1   129.58  ? 70  B 1 .
ATOM 2594 O O    . LYS Bxp B 63  ? 14.244 55.202 46.641 1   123.561 ? 70  B 1 .
ATOM 2595 C CB   . LYS Bxp B 63  ? 13.6   57.849 46.226 1   107.337 ? 70  B 1 .
ATOM 2596 C CG   . LYS Bxp B 63  ? 13.574 59.333 45.991 1   97.958  ? 70  B 1 .
ATOM 2597 C CD   . LYS Bxp B 63  ? 12.917 59.68  44.666 1   88.595  ? 70  B 1 .
ATOM 2598 C CE   . LYS Bxp B 63  ? 13.201 61.082 44.285 1   87.321  ? 70  B 1 .
ATOM 2599 N NZ   . LYS Bxp B 63  ? 11.967 61.653 43.762 1   84.872  ? 70  B 1 .
ATOM 2600 H H    . LYS Bxp B 63  ? 16.077 57.897 46.932 1   104.526 ? 70  B 1 c
ATOM 2601 H HA   . LYS Bxp B 63  ? 13.67  57.815 48.308 1   114.841 ? 70  B 1 c
ATOM 2602 H HB3  . LYS Bxp B 63  ? 12.681 57.511 46.159 1   107.651 ? 70  B 1 c
ATOM 2603 H HB2  . LYS Bxp B 63  ? 14.121 57.435 45.506 1   107.715 ? 70  B 1 c
ATOM 2604 H HG3  . LYS Bxp B 63  ? 14.492 59.672 45.998 1   97.878  ? 70  B 1 c
ATOM 2605 H HG2  . LYS Bxp B 63  ? 13.085 59.759 46.715 1   98.957  ? 70  B 1 c
ATOM 2606 H HD3  . LYS Bxp B 63  ? 11.947 59.549 44.747 1   90.338  ? 70  B 1 c
ATOM 2607 H HD2  . LYS Bxp B 63  ? 13.251 59.081 43.972 1   90.77   ? 70  B 1 c
ATOM 2608 H HE3  . LYS Bxp B 63  ? 13.902 61.113 43.613 1   87.447  ? 70  B 1 c
ATOM 2609 H HE2  . LYS Bxp B 63  ? 13.489 61.595 45.061 1   87.217  ? 70  B 1 c
ATOM 2610 H HZ1  . LYS Bxp B 63  ? 11.632 62.253 44.352 1   86.032  ? 70  B 1 c
ATOM 2611 H HZ2  . LYS Bxp B 63  ? 11.344 61.013 43.612 1   85.805  ? 70  B 1 c
ATOM 2612 H HZ3  . LYS Bxp B 63  ? 12.138 62.066 42.975 1   85.892  ? 70  B 1 c
ATOM 2613 N N    . ASN Bxp B 64  ? 13.76  55.368 48.848 1   131.615 ? 71  B 1 .
ATOM 2614 C CA   . ASN Bxp B 64  ? 13.489 53.956 49.054 1   122.314 ? 71  B 1 .
ATOM 2615 C C    . ASN Bxp B 64  ? 12.129 53.793 49.723 1   120.494 ? 71  B 1 .
ATOM 2616 O O    . ASN Bxp B 64  ? 11.529 52.729 49.645 1   130.406 ? 71  B 1 .
ATOM 2617 C CB   . ASN Bxp B 64  ? 14.596 53.305 49.87  1   126.172 ? 71  B 1 .
ATOM 2618 C CG   . ASN Bxp B 64  ? 14.54  51.792 49.847 1   138.15  ? 71  B 1 .
ATOM 2619 O OD1  . ASN Bxp B 64  ? 13.982 51.187 50.771 1   127.485 ? 71  B 1 .
ATOM 2620 N ND2  . ASN Bxp B 64  ? 15.117 51.162 48.826 1   139.334 ? 71  B 1 .
ATOM 2621 H H    . ASN Bxp B 64  ? 13.765 55.922 49.574 1   128.615 ? 71  B 1 c
ATOM 2622 H HA   . ASN Bxp B 64  ? 13.461 53.51  48.178 1   124.532 ? 71  B 1 c
ATOM 2623 H HB3  . ASN Bxp B 64  ? 14.53  53.61  50.797 1   127.858 ? 71  B 1 c
ATOM 2624 H HB2  . ASN Bxp B 64  ? 15.461 53.595 49.52  1   127.907 ? 71  B 1 c
ATOM 2625 H HD21 . ASN Bxp B 64  ? 15.215 50.28  48.848 1   138.857 ? 71  B 1 c
ATOM 2626 H HD22 . ASN Bxp B 64  ? 15.404 51.624 48.125 1   138.854 ? 71  B 1 c
ATOM 2627 N N    . GLY Bxp B 65  ? 11.642 54.848 50.363 1   118.844 ? 72  B 1 .
ATOM 2628 C CA   . GLY Bxp B 65  ? 10.33  54.777 50.961 1   124.388 ? 72  B 1 .
ATOM 2629 C C    . GLY Bxp B 65  ? 10.413 54.949 52.468 1   115.828 ? 72  B 1 .
ATOM 2630 O O    . GLY Bxp B 65  ? 9.51   54.553 53.2   1   134.111 ? 72  B 1 .
ATOM 2631 H H    . GLY Bxp B 65  ? 12.114 55.628 50.409 1   120.53  ? 72  B 1 c
ATOM 2632 H HA3  . GLY Bxp B 65  ? 9.908  53.913 50.746 1   121.711 ? 72  B 1 c
ATOM 2633 H HA2  . GLY Bxp B 65  ? 9.777  55.492 50.582 1   122.057 ? 72  B 1 c
ATOM 2634 N N    . ALA Bxp B 66  ? 11.496 55.568 52.925 1   110.615 ? 73  B 1 .
ATOM 2635 C CA   . ALA Bxp B 66  ? 11.476 56.152 54.253 1   123.793 ? 73  B 1 .
ATOM 2636 C C    . ALA Bxp B 66  ? 10.65  57.438 54.243 1   124.021 ? 73  B 1 .
ATOM 2637 O O    . ALA Bxp B 66  ? 10.352 58.031 53.202 1   118.779 ? 73  B 1 .
ATOM 2638 C CB   . ALA Bxp B 66  ? 12.876 56.409 54.748 1   130.242 ? 73  B 1 .
ATOM 2639 H H    . ALA Bxp B 66  ? 12.257 55.621 52.422 1   115.059 ? 73  B 1 c
ATOM 2640 H HA   . ALA Bxp B 66  ? 11.032 55.507 54.87  1   122.457 ? 73  B 1 c
ATOM 2641 H HB3  . ALA Bxp B 66  ? 12.939 56.167 55.685 1   128.032 ? 73  B 1 c
ATOM 2642 H HB2  . ALA Bxp B 66  ? 13.089 57.351 54.644 1   127.848 ? 73  B 1 c
ATOM 2643 H HB1  . ALA Bxp B 66  ? 13.51  55.879 54.237 1   128.06  ? 73  B 1 c
ATOM 2644 N N    . GLY Bxp B 67  ? 10.33  57.896 55.45  1   115.9   ? 74  B 1 .
ATOM 2645 C CA   . GLY Bxp B 67  ? 9.484  59.06  55.62  1   131.716 ? 74  B 1 .
ATOM 2646 C C    . GLY Bxp B 67  ? 10.258 60.157 56.334 1   147.534 ? 74  B 1 .
ATOM 2647 O O    . GLY Bxp B 67  ? 10.516 60.039 57.53  1   170.011 ? 74  B 1 .
ATOM 2648 H H    . GLY Bxp B 67  ? 10.679 57.495 56.19  1   121.682 ? 74  B 1 c
ATOM 2649 H HA3  . GLY Bxp B 67  ? 8.692  58.812 56.151 1   131.061 ? 74  B 1 c
ATOM 2650 H HA2  . GLY Bxp B 67  ? 9.178  59.379 54.742 1   130.775 ? 74  B 1 c
ATOM 2651 N N    . LEU Bxp B 68  ? 10.603 61.219 55.592 1   142.706 ? 75  B 1 .
ATOM 2652 C CA   . LEU Bxp B 68  ? 11.463 62.276 56.104 1   112.758 ? 75  B 1 .
ATOM 2653 C C    . LEU Bxp B 68  ? 10.592 63.446 56.536 1   116.399 ? 75  B 1 .
ATOM 2654 O O    . LEU Bxp B 68  ? 9.501  63.635 55.986 1   114.802 ? 75  B 1 .
ATOM 2655 C CB   . LEU Bxp B 68  ? 12.473 62.687 55.034 1   99.17   ? 75  B 1 .
ATOM 2656 C CG   . LEU Bxp B 68  ? 13.652 63.543 55.502 1   103.223 ? 75  B 1 .
ATOM 2657 C CD1  . LEU Bxp B 68  ? 14.552 62.821 56.508 1   116.414 ? 75  B 1 .
ATOM 2658 C CD2  . LEU Bxp B 68  ? 14.45  64.016 54.29  1   104.385 ? 75  B 1 .
ATOM 2659 H H    . LEU Bxp B 68  ? 10.291 61.287 54.736 1   136.281 ? 75  B 1 c
ATOM 2660 H HA   . LEU Bxp B 68  ? 11.949 61.93  56.89  1   116.474 ? 75  B 1 c
ATOM 2661 H HB3  . LEU Bxp B 68  ? 11.992 63.184 54.335 1   103.127 ? 75  B 1 c
ATOM 2662 H HB2  . LEU Bxp B 68  ? 12.83  61.868 54.62  1   103.075 ? 75  B 1 c
ATOM 2663 H HG   . LEU Bxp B 68  ? 13.286 64.348 55.95  1   105.257 ? 75  B 1 c
ATOM 2664 H HD11 . LEU Bxp B 68  ? 14.117 62.798 57.377 1   112.396 ? 75  B 1 c
ATOM 2665 H HD12 . LEU Bxp B 68  ? 15.399 63.292 56.584 1   112.28  ? 75  B 1 c
ATOM 2666 H HD13 . LEU Bxp B 68  ? 14.715 61.912 56.205 1   112.352 ? 75  B 1 c
ATOM 2667 H HD21 . LEU Bxp B 68  ? 13.87  64.521 53.696 1   104.048 ? 75  B 1 c
ATOM 2668 H HD22 . LEU Bxp B 68  ? 14.808 63.247 53.815 1   104.053 ? 75  B 1 c
ATOM 2669 H HD23 . LEU Bxp B 68  ? 15.183 64.583 54.585 1   104.094 ? 75  B 1 c
ATOM 2670 N N    . HIS Bxp B 69  ? 11.101 64.211 57.517 1   127.185 ? 76  B 1 .
ATOM 2671 C CA   . HIS Bxp B 69  ? 10.359 65.302 58.137 1   128.265 ? 76  B 1 .
ATOM 2672 C C    . HIS Bxp B 69  ? 11.306 66.454 58.518 1   120.853 ? 76  B 1 .
ATOM 2673 O O    . HIS Bxp B 69  ? 12.141 66.301 59.406 1   108.379 ? 76  B 1 .
ATOM 2674 C CB   . HIS Bxp B 69  ? 9.533  64.735 59.305 1   128.735 ? 76  B 1 .
ATOM 2675 C CG   . HIS Bxp B 69  ? 8.607  63.609 58.929 1   114.4   ? 76  B 1 .
ATOM 2676 N ND1  . HIS Bxp B 69  ? 7.406  63.775 58.269 1   105.17  ? 76  B 1 .
ATOM 2677 C CD2  . HIS Bxp B 69  ? 8.737  62.292 59.099 1   106.333 ? 76  B 1 .
ATOM 2678 C CE1  . HIS Bxp B 69  ? 6.84   62.597 58.058 1   103.418 ? 76  B 1 .
ATOM 2679 N NE2  . HIS Bxp B 69  ? 7.624  61.684 58.569 1   111.3   ? 76  B 1 .
ATOM 2680 H H    . HIS Bxp B 69  ? 11.949 64.041 57.813 1   124.415 ? 76  B 1 c
ATOM 2681 H HA   . HIS Bxp B 69  ? 9.723  65.646 57.462 1   126.583 ? 76  B 1 c
ATOM 2682 H HB3  . HIS Bxp B 69  ? 9.002  65.464 59.694 1   125.288 ? 76  B 1 c
ATOM 2683 H HB2  . HIS Bxp B 69  ? 10.15  64.419 59.999 1   125.188 ? 76  B 1 c
ATOM 2684 H HD1  . HIS Bxp B 69  ? 6.933  64.545 57.982 0   46.22   ? 76  B 1 c
ATOM 2685 H HD2  . HIS Bxp B 69  ? 9.447  61.843 59.509 1   109.348 ? 76  B 1 c
ATOM 2686 H HE1  . HIS Bxp B 69  ? 6.009  62.445 57.643 1   105.933 ? 76  B 1 c
ATOM 2687 H HE2  . HIS Bxp B 69  ? 7.438  60.804 58.468 0   191.06  ? 76  B 1 c
ATOM 2688 N N    . THR Bxp B 70  ? 11.151 67.618 57.864 1   125.543 ? 77  B 1 .
ATOM 2689 C CA   . THR Bxp B 70  ? 11.908 68.828 58.18  1   134.971 ? 77  B 1 .
ATOM 2690 C C    . THR Bxp B 70  ? 11.109 69.7   59.151 1   142.01  ? 77  B 1 .
ATOM 2691 O O    . THR Bxp B 70  ? 9.88   69.74  59.091 1   159.113 ? 77  B 1 .
ATOM 2692 C CB   . THR Bxp B 70  ? 12.213 69.612 56.898 1   133.438 ? 77  B 1 .
ATOM 2693 O OG1  . THR Bxp B 70  ? 12.919 68.779 55.982 1   122.915 ? 77  B 1 .
ATOM 2694 C CG2  . THR Bxp B 70  ? 13.005 70.89  57.132 1   121.874 ? 77  B 1 .
ATOM 2695 H H    . THR Bxp B 70  ? 10.542 67.658 57.183 1   126.502 ? 77  B 1 c
ATOM 2696 H HA   . THR Bxp B 70  ? 12.749 68.572 58.601 1   134.38  ? 77  B 1 c
ATOM 2697 H HB   . THR Bxp B 70  ? 11.358 69.876 56.484 1   129.327 ? 77  B 1 c
ATOM 2698 H HG1  . THR Bxp B 70  ? 13.225 68.406 56.039 0   77.36   ? 77  B 1 c
ATOM 2699 H HG21 . THR Bxp B 70  ? 13.491 71.124 56.324 1   125.211 ? 77  B 1 c
ATOM 2700 H HG22 . THR Bxp B 70  ? 13.635 70.753 57.859 1   125.223 ? 77  B 1 c
ATOM 2701 H HG23 . THR Bxp B 70  ? 12.397 71.612 57.364 1   125.375 ? 77  B 1 c
ATOM 2702 N N    . ALA Bxp B 71  ? 11.827 70.428 60.018 1   147.474 ? 78  B 1 .
ATOM 2703 C CA   . ALA Bxp B 71  ? 11.227 71.451 60.868 1   164.49  ? 78  B 1 .
ATOM 2704 C C    . ALA Bxp B 71  ? 12.293 72.392 61.424 1   160.567 ? 78  B 1 .
ATOM 2705 O O    . ALA Bxp B 71  ? 13.27  71.941 62.022 1   147.025 ? 78  B 1 .
ATOM 2706 C CB   . ALA Bxp B 71  ? 10.466 70.809 61.999 1   184.393 ? 78  B 1 .
ATOM 2707 H H    . ALA Bxp B 71  ? 12.726 70.28  60.083 1   149.623 ? 78  B 1 c
ATOM 2708 H HA   . ALA Bxp B 71  ? 10.596 71.986 60.312 1   163.585 ? 78  B 1 c
ATOM 2709 H HB3  . ALA Bxp B 71  ? 10.248 71.479 62.669 1   177.499 ? 78  B 1 c
ATOM 2710 H HB2  . ALA Bxp B 71  ? 11.01  70.114 62.406 1   177.685 ? 78  B 1 c
ATOM 2711 H HB1  . ALA Bxp B 71  ? 9.644  70.419 61.659 1   177.602 ? 78  B 1 c
ATOM 2712 N N    . SER Bxp B 72  ? 12.062 73.702 61.274 1   163.701 ? 79  B 1 .
ATOM 2713 C CA   . SER Bxp B 72  ? 13.12  74.679 61.475 1   158.237 ? 79  B 1 .
ATOM 2714 C C    . SER Bxp B 72  ? 12.562 76.098 61.598 1   146.836 ? 79  B 1 .
ATOM 2715 O O    . SER Bxp B 72  ? 12.258 76.755 60.599 1   136.673 ? 79  B 1 .
ATOM 2716 C CB   . SER Bxp B 72  ? 14.159 74.564 60.368 1   161.776 ? 79  B 1 .
ATOM 2717 O OG   . SER Bxp B 72  ? 13.61  74.093 59.14  1   159.799 ? 79  B 1 .
ATOM 2718 H H    . SER Bxp B 72  ? 11.229 73.992 61.037 1   162.132 ? 79  B 1 c
ATOM 2719 H HA   . SER Bxp B 72  ? 13.568 74.46  62.331 1   157.178 ? 79  B 1 c
ATOM 2720 H HB3  . SER Bxp B 72  ? 14.85  73.948 60.658 1   159.853 ? 79  B 1 c
ATOM 2721 H HB2  . SER Bxp B 72  ? 14.574 75.435 60.224 1   160.176 ? 79  B 1 c
ATOM 2722 H HG   . SER Bxp B 72  ? 13.765 74.294 58.057 0   355.19  ? 79  B 1 c
ATOM 2723 N N    . SER Bxp B 73  ? 12.457 76.57  62.845 1   146.103 ? 80  B 1 .
ATOM 2724 C CA   . SER Bxp B 73  ? 12.314 77.988 63.123 1   149.682 ? 80  B 1 .
ATOM 2725 C C    . SER Bxp B 73  ? 13.655 78.546 63.568 1   125.167 ? 80  B 1 .
ATOM 2726 O O    . SER Bxp B 73  ? 14.57  77.798 63.913 1   122.549 ? 80  B 1 .
ATOM 2727 C CB   . SER Bxp B 73  ? 11.289 78.242 64.181 1   165.841 ? 80  B 1 .
ATOM 2728 O OG   . SER Bxp B 73  ? 10.125 77.476 63.932 1   183.951 ? 80  B 1 .
ATOM 2729 H H    . SER Bxp B 73  ? 12.462 75.985 63.546 1   147.109 ? 80  B 1 c
ATOM 2730 H HA   . SER Bxp B 73  ? 12.037 78.452 62.293 1   146.652 ? 80  B 1 c
ATOM 2731 H HB3  . SER Bxp B 73  ? 11.06  79.19  64.192 1   165.868 ? 80  B 1 c
ATOM 2732 H HB2  . SER Bxp B 73  ? 11.656 78.003 65.054 1   165.753 ? 80  B 1 c
ATOM 2733 H HG   . SER Bxp B 73  ? 10.107 76.725 65.049 0   242.02  ? 80  B 1 c
ATOM 2734 N N    . CYS Bxp B 74  ? 13.733 79.873 63.609 1   104.244 ? 81  B 1 .
ATOM 2735 C CA   . CYS Bxp B 74  ? 14.895 80.531 64.175 1   117.488 ? 81  B 1 .
ATOM 2736 C C    . CYS Bxp B 74  ? 14.476 81.763 64.972 1   134.218 ? 81  B 1 .
ATOM 2737 O O    . CYS Bxp B 74  ? 13.288 82.032 65.146 1   162.756 ? 81  B 1 .
ATOM 2738 C CB   . CYS Bxp B 74  ? 15.928 80.824 63.094 1   116.432 ? 81  B 1 .
ATOM 2739 S SG   . CYS Bxp B 74  ? 15.225 81.094 61.452 1   91.587  ? 81  B 1 .
ATOM 2740 H H    . CYS Bxp B 74  ? 13.049 80.381 63.278 1   112.449 ? 81  B 1 c
ATOM 2741 H HA   . CYS Bxp B 74  ? 15.318 79.897 64.808 1   117.517 ? 81  B 1 c
ATOM 2742 H HB3  . CYS Bxp B 74  ? 16.551 80.069 63.041 1   111.055 ? 81  B 1 c
ATOM 2743 H HB2  . CYS Bxp B 74  ? 16.442 81.623 63.341 1   111.628 ? 81  B 1 c
ATOM 2744 H HG   . CYS Bxp B 74  ? 15.686 81.516 60.71  0   85.52   ? 81  B 1 c
ATOM 2745 N N    . TYR Bxp B 75  ? 15.49  82.493 65.449 1   125.182 ? 82  B 1 .
ATOM 2746 C CA   . TYR Bxp B 75  ? 15.306 83.583 66.385 1   120.036 ? 82  B 1 .
ATOM 2747 C C    . TYR Bxp B 75  ? 16.251 84.713 66.006 1   107.8   ? 82  B 1 .
ATOM 2748 O O    . TYR Bxp B 75  ? 17.092 85.135 66.794 1   115.243 ? 82  B 1 .
ATOM 2749 C CB   . TYR Bxp B 75  ? 15.546 82.966 67.763 1   134.292 ? 82  B 1 .
ATOM 2750 C CG   . TYR Bxp B 75  ? 15.667 83.961 68.906 1   145.072 ? 82  B 1 .
ATOM 2751 C CD1  . TYR Bxp B 75  ? 14.698 84.926 69.139 1   148.331 ? 82  B 1 .
ATOM 2752 C CD2  . TYR Bxp B 75  ? 16.797 83.97  69.706 1   155.428 ? 82  B 1 .
ATOM 2753 C CE1  . TYR Bxp B 75  ? 14.828 85.838 70.174 1   149.318 ? 82  B 1 .
ATOM 2754 C CE2  . TYR Bxp B 75  ? 16.94  84.87  70.748 1   155.992 ? 82  B 1 .
ATOM 2755 C CZ   . TYR Bxp B 75  ? 15.949 85.804 70.986 1   154.929 ? 82  B 1 .
ATOM 2756 O OH   . TYR Bxp B 75  ? 16.105 86.689 72.01  1   157.654 ? 82  B 1 .
ATOM 2757 H H    . TYR Bxp B 75  ? 16.342 82.286 65.194 1   125.649 ? 82  B 1 c
ATOM 2758 H HA   . TYR Bxp B 75  ? 14.369 83.908 66.331 1   121.386 ? 82  B 1 c
ATOM 2759 H HB3  . TYR Bxp B 75  ? 16.367 82.426 67.724 1   133.384 ? 82  B 1 c
ATOM 2760 H HB2  . TYR Bxp B 75  ? 14.801 82.359 67.957 1   133.094 ? 82  B 1 c
ATOM 2761 H HD1  . TYR Bxp B 75  ? 13.924 84.944 68.601 1   147.873 ? 82  B 1 c
ATOM 2762 H HD2  . TYR Bxp B 75  ? 17.47  83.332 69.554 1   152.483 ? 82  B 1 c
ATOM 2763 H HE1  . TYR Bxp B 75  ? 14.15  86.47  70.336 1   150.35  ? 82  B 1 c
ATOM 2764 H HE2  . TYR Bxp B 75  ? 17.708 84.847 71.293 1   155.433 ? 82  B 1 c
ATOM 2765 H HH   . TYR Bxp B 75  ? 14.709 87.233 71.924 0   403.62  ? 82  B 1 c
ATOM 2766 N N    . TRP Bxp B 76  ? 16.08  85.182 64.772 1   106.718 ? 83  B 1 .
ATOM 2767 C CA   . TRP Bxp B 76  ? 16.782 86.345 64.258 1   112.397 ? 83  B 1 .
ATOM 2768 C C    . TRP Bxp B 76  ? 15.874 87.572 64.266 1   110.551 ? 83  B 1 .
ATOM 2769 O O    . TRP Bxp B 76  ? 14.754 87.538 64.77  1   125.914 ? 83  B 1 .
ATOM 2770 C CB   . TRP Bxp B 76  ? 17.266 86.063 62.832 1   120.506 ? 83  B 1 .
ATOM 2771 C CG   . TRP Bxp B 76  ? 16.156 85.71  61.874 1   122.53  ? 83  B 1 .
ATOM 2772 C CD1  . TRP Bxp B 76  ? 14.839 86.071 61.933 1   124.137 ? 83  B 1 .
ATOM 2773 C CD2  . TRP Bxp B 76  ? 16.289 84.897 60.69  1   110.13  ? 83  B 1 .
ATOM 2774 N NE1  . TRP Bxp B 76  ? 14.143 85.511 60.895 1   113.282 ? 83  B 1 .
ATOM 2775 C CE2  . TRP Bxp B 76  ? 15.006 84.801 60.111 1   106.835 ? 83  B 1 .
ATOM 2776 C CE3  . TRP Bxp B 76  ? 17.365 84.251 60.071 1   96.96   ? 83  B 1 .
ATOM 2777 C CZ2  . TRP Bxp B 76  ? 14.772 84.085 58.946 1   101.106 ? 83  B 1 .
ATOM 2778 C CZ3  . TRP Bxp B 76  ? 17.132 83.533 58.926 1   84.557  ? 83  B 1 .
ATOM 2779 C CH2  . TRP Bxp B 76  ? 15.853 83.455 58.379 1   88.326  ? 83  B 1 .
ATOM 2780 H H    . TRP Bxp B 76  ? 15.486 84.756 64.223 1   108.587 ? 83  B 1 c
ATOM 2781 H HA   . TRP Bxp B 76  ? 17.571 86.523 64.832 1   112.429 ? 83  B 1 c
ATOM 2782 H HB3  . TRP Bxp B 76  ? 17.906 85.32  62.862 1   119.048 ? 83  B 1 c
ATOM 2783 H HB2  . TRP Bxp B 76  ? 17.742 86.85  62.495 1   118.94  ? 83  B 1 c
ATOM 2784 H HD1  . TRP Bxp B 76  ? 14.44  86.586 62.609 1   120.825 ? 83  B 1 c
ATOM 2785 H HE1  . TRP Bxp B 76  ? 13.293 85.619 60.742 1   115.458 ? 83  B 1 c
ATOM 2786 H HE3  . TRP Bxp B 76  ? 18.229 84.298 60.443 1   96.772  ? 83  B 1 c
ATOM 2787 H HZ2  . TRP Bxp B 76  ? 13.91  84.023 58.571 1   99.217  ? 83  B 1 c
ATOM 2788 H HZ3  . TRP Bxp B 76  ? 17.848 83.093 58.498 1   88.672  ? 83  B 1 c
ATOM 2789 H HH2  . TRP Bxp B 76  ? 15.722 82.967 57.593 1   90.739  ? 83  B 1 c
ATOM 2790 N N    . ASN Bxp B 77  ? 16.374 88.659 63.673 1   114.402 ? 84  B 1 .
ATOM 2791 C CA   . ASN Bxp B 77  ? 15.609 89.88  63.496 1   130.15  ? 84  B 1 .
ATOM 2792 C C    . ASN Bxp B 77  ? 15.033 89.877 62.085 1   119.87  ? 84  B 1 .
ATOM 2793 O O    . ASN Bxp B 77  ? 15.773 90.037 61.12  1   118.973 ? 84  B 1 .
ATOM 2794 C CB   . ASN Bxp B 77  ? 16.471 91.118 63.745 1   144.751 ? 84  B 1 .
ATOM 2795 C CG   . ASN Bxp B 77  ? 15.659 92.384 63.889 1   148.971 ? 84  B 1 .
ATOM 2796 O OD1  . ASN Bxp B 77  ? 14.741 92.436 64.721 1   132.65  ? 84  B 1 .
ATOM 2797 N ND2  . ASN Bxp B 77  ? 15.984 93.402 63.098 1   143.797 ? 84  B 1 .
ATOM 2798 H H    . ASN Bxp B 77  ? 17.24  88.647 63.383 1   117.329 ? 84  B 1 c
ATOM 2799 H HA   . ASN Bxp B 77  ? 14.872 89.89  64.148 1   127.393 ? 84  B 1 c
ATOM 2800 H HB3  . ASN Bxp B 77  ? 17.095 91.224 63.002 1   141.893 ? 84  B 1 c
ATOM 2801 H HB2  . ASN Bxp B 77  ? 16.996 90.985 64.556 1   143.214 ? 84  B 1 c
ATOM 2802 H HD21 . ASN Bxp B 77  ? 15.346 93.885 62.715 1   145.259 ? 84  B 1 c
ATOM 2803 H HD22 . ASN Bxp B 77  ? 16.837 93.596 62.954 1   145.317 ? 84  B 1 c
ATOM 2804 N N    . ASN Bxp B 78  ? 13.706 89.771 61.972 1   116.219 ? 85  B 1 .
ATOM 2805 C CA   . ASN Bxp B 78  ? 13.061 89.531 60.683 1   122.477 ? 85  B 1 .
ATOM 2806 C C    . ASN Bxp B 78  ? 13.344 90.629 59.645 1   110.004 ? 85  B 1 .
ATOM 2807 O O    . ASN Bxp B 78  ? 13.13  90.413 58.451 1   96.106  ? 85  B 1 .
ATOM 2808 C CB   . ASN Bxp B 78  ? 11.564 89.26  60.816 1   117.026 ? 85  B 1 .
ATOM 2809 C CG   . ASN Bxp B 78  ? 11.074 89.371 62.239 1   125.721 ? 85  B 1 .
ATOM 2810 O OD1  . ASN Bxp B 78  ? 11.277 88.448 63.047 1   124.857 ? 85  B 1 .
ATOM 2811 N ND2  . ASN Bxp B 78  ? 10.432 90.489 62.549 1   123.849 ? 85  B 1 .
ATOM 2812 H H    . ASN Bxp B 78  ? 13.188 89.861 62.718 1   118.663 ? 85  B 1 c
ATOM 2813 H HA   . ASN Bxp B 78  ? 13.456 88.704 60.325 1   117.86  ? 85  B 1 c
ATOM 2814 H HB3  . ASN Bxp B 78  ? 11.376 88.362 60.483 1   120.659 ? 85  B 1 c
ATOM 2815 H HB2  . ASN Bxp B 78  ? 11.071 89.896 60.259 1   120.252 ? 85  B 1 c
ATOM 2816 H HD21 . ASN Bxp B 78  ? 9.713  90.457 63.068 1   124.41  ? 85  B 1 c
ATOM 2817 H HD22 . ASN Bxp B 78  ? 10.722 91.267 62.237 1   124.371 ? 85  B 1 c
ATOM 2818 N N    . ASP Bxp B 79  ? 13.849 91.795 60.063 1   109.77  ? 86  B 1 .
ATOM 2819 C CA   . ASP Bxp B 79  ? 14.077 92.887 59.131 1   122.467 ? 86  B 1 .
ATOM 2820 C C    . ASP Bxp B 79  ? 15.476 92.789 58.526 1   130.37  ? 86  B 1 .
ATOM 2821 O O    . ASP Bxp B 79  ? 15.667 93.162 57.365 1   134.677 ? 86  B 1 .
ATOM 2822 C CB   . ASP Bxp B 79  ? 13.811 94.25  59.761 1   133.387 ? 86  B 1 .
ATOM 2823 C CG   . ASP Bxp B 79  ? 12.349 94.608 60.031 1   142.36  ? 86  B 1 .
ATOM 2824 O OD1  . ASP Bxp B 79  ? 11.484 94.396 59.13  1   117.9   ? 86  B 1 .
ATOM 2825 O OD2  . ASP Bxp B 79  ? 12.077 95.132 61.14  1   142.817 ? 86  B 1 .
ATOM 2826 H H    . ASP Bxp B 79  ? 14.033 91.925 60.949 1   112.914 ? 86  B 1 c
ATOM 2827 H HA   . ASP Bxp B 79  ? 13.427 92.8   58.397 1   122.954 ? 86  B 1 c
ATOM 2828 H HB3  . ASP Bxp B 79  ? 14.183 94.94  59.174 1   132.79  ? 86  B 1 c
ATOM 2829 H HB2  . ASP Bxp B 79  ? 14.294 94.294 60.613 1   132.905 ? 86  B 1 c
ATOM 2830 N N    . THR Bxp B 80  ? 16.446 92.303 59.319 1   149.726 ? 87  B 1 .
ATOM 2831 C CA   . THR Bxp B 80  ? 17.843 92.237 58.894 1   146.13  ? 87  B 1 .
ATOM 2832 C C    . THR Bxp B 80  ? 18.172 90.869 58.284 1   131.173 ? 87  B 1 .
ATOM 2833 O O    . THR Bxp B 80  ? 19.083 90.766 57.467 1   112.394 ? 87  B 1 .
ATOM 2834 C CB   . THR Bxp B 80  ? 18.78  92.569 60.064 1   127.366 ? 87  B 1 .
ATOM 2835 O OG1  . THR Bxp B 80  ? 18.218 92.067 61.275 1   105.457 ? 87  B 1 .
ATOM 2836 C CG2  . THR Bxp B 80  ? 18.993 94.059 60.254 1   124.878 ? 87  B 1 .
ATOM 2837 H H    . THR Bxp B 80  ? 16.233 92.012 60.159 1   143.046 ? 87  B 1 c
ATOM 2838 H HA   . THR Bxp B 80  ? 17.979 92.919 58.2   1   140.17  ? 87  B 1 c
ATOM 2839 H HB   . THR Bxp B 80  ? 19.657 92.142 59.913 1   125.396 ? 87  B 1 c
ATOM 2840 H HG1  . THR Bxp B 80  ? 17.256 92.435 61.279 0   74.52   ? 87  B 1 c
ATOM 2841 H HG21 . THR Bxp B 80  ? 19.604 94.207 60.995 1   125.609 ? 87  B 1 c
ATOM 2842 H HG22 . THR Bxp B 80  ? 18.142 94.487 60.445 1   125.609 ? 87  B 1 c
ATOM 2843 H HG23 . THR Bxp B 80  ? 19.371 94.439 59.443 1   125.609 ? 87  B 1 c
ATOM 2844 N N    . ASP Bxp B 81  ? 17.411 89.831 58.659 1   108.333 ? 88  B 1 .
ATOM 2845 C CA   . ASP Bxp B 81  ? 17.814 88.457 58.442 1   93.483  ? 88  B 1 .
ATOM 2846 C C    . ASP Bxp B 81  ? 16.74  87.698 57.667 1   98.511  ? 88  B 1 .
ATOM 2847 O O    . ASP Bxp B 81  ? 15.56  88.007 57.778 1   96.879  ? 88  B 1 .
ATOM 2848 C CB   . ASP Bxp B 81  ? 18.11  87.801 59.779 1   104.559 ? 88  B 1 .
ATOM 2849 C CG   . ASP Bxp B 81  ? 19.076 88.567 60.678 1   107.726 ? 88  B 1 .
ATOM 2850 O OD1  . ASP Bxp B 81  ? 20.221 88.815 60.248 1   99.716  ? 88  B 1 .
ATOM 2851 O OD2  . ASP Bxp B 81  ? 18.677 88.922 61.802 1   112.37  ? 88  B 1 .
ATOM 2852 H H    . ASP Bxp B 81  ? 16.607 89.989 59.064 1   110.358 ? 88  B 1 c
ATOM 2853 H HA   . ASP Bxp B 81  ? 18.641 88.455 57.914 1   99.634  ? 88  B 1 c
ATOM 2854 H HB3  . ASP Bxp B 81  ? 18.483 86.91  59.617 1   102.634 ? 88  B 1 c
ATOM 2855 H HB2  . ASP Bxp B 81  ? 17.266 87.693 60.262 1   102.725 ? 88  B 1 c
ATOM 2856 N N    . GLY Bxp B 82  ? 17.168 86.69  56.886 1   113.099 ? 89  B 1 .
ATOM 2857 C CA   . GLY Bxp B 82  ? 16.274 85.842 56.103 1   104.24  ? 89  B 1 .
ATOM 2858 C C    . GLY Bxp B 82  ? 16.97  84.574 55.6   1   82.981  ? 89  B 1 .
ATOM 2859 O O    . GLY Bxp B 82  ? 18.19  84.507 55.631 1   74.379  ? 89  B 1 .
ATOM 2860 H H    . GLY Bxp B 82  ? 18.066 86.526 56.843 1   107.09  ? 89  B 1 c
ATOM 2861 H HA3  . GLY Bxp B 82  ? 15.939 86.358 55.333 1   100.982 ? 89  B 1 c
ATOM 2862 H HA2  . GLY Bxp B 82  ? 15.5   85.593 56.658 1   100.904 ? 89  B 1 c
ATOM 2863 N N    . SER Bxp B 83  ? 16.187 83.595 55.109 1   82.447  ? 90  B 1 .
ATOM 2864 C CA   . SER Bxp B 83  ? 16.708 82.279 54.764 1   92.714  ? 90  B 1 .
ATOM 2865 C C    . SER Bxp B 83  ? 15.948 81.696 53.579 1   87.874  ? 90  B 1 .
ATOM 2866 O O    . SER Bxp B 83  ? 14.779 81.995 53.398 1   90.668  ? 90  B 1 .
ATOM 2867 C CB   . SER Bxp B 83  ? 16.649 81.321 55.935 1   102.461 ? 90  B 1 .
ATOM 2868 O OG   . SER Bxp B 83  ? 15.329 80.818 56.083 1   105.359 ? 90  B 1 .
ATOM 2869 H H    . SER Bxp B 83  ? 15.296 83.759 54.989 1   84.924  ? 90  B 1 c
ATOM 2870 H HA   . SER Bxp B 83  ? 17.656 82.384 54.496 1   91.202  ? 90  B 1 c
ATOM 2871 H HB3  . SER Bxp B 83  ? 16.927 81.775 56.747 1   100.479 ? 90  B 1 c
ATOM 2872 H HB2  . SER Bxp B 83  ? 17.262 80.579 55.777 1   100.588 ? 90  B 1 c
ATOM 2873 H HG   . SER Bxp B 83  ? 15.305 80.311 56.671 0   60.02   ? 90  B 1 c
ATOM 2874 N N    . CYS Bxp B 84  ? 16.631 80.84  52.809 1   104.341 ? 91  B 1 .
ATOM 2875 C CA   . CYS Bxp B 84  ? 16.083 80.222 51.612 1   103.981 ? 91  B 1 .
ATOM 2876 C C    . CYS Bxp B 84  ? 16.246 78.702 51.657 1   106.025 ? 91  B 1 .
ATOM 2877 O O    . CYS Bxp B 84  ? 17.349 78.2   51.865 1   113.287 ? 91  B 1 .
ATOM 2878 C CB   . CYS Bxp B 84  ? 16.784 80.757 50.372 1   97.492  ? 91  B 1 .
ATOM 2879 S SG   . CYS Bxp B 84  ? 16.322 79.884 48.849 1   111.188 ? 91  B 1 .
ATOM 2880 H H    . CYS Bxp B 84  ? 17.488 80.629 53.047 1   99.946  ? 91  B 1 c
ATOM 2881 H HA   . CYS Bxp B 84  ? 15.118 80.439 51.56  1   103.006 ? 91  B 1 c
ATOM 2882 H HB3  . CYS Bxp B 84  ? 17.755 80.677 50.495 1   101.282 ? 91  B 1 c
ATOM 2883 H HB2  . CYS Bxp B 84  ? 16.569 81.71  50.264 1   101.448 ? 91  B 1 c
ATOM 2884 H HG   . CYS Bxp B 84  ? 17.095 80.511 48.059 0   101.59  ? 91  B 1 c
ATOM 2885 N N    . THR Bxp B 85  ? 15.139 77.974 51.427 1   102.392 ? 92  B 1 .
ATOM 2886 C CA   . THR Bxp B 85  ? 15.146 76.518 51.299 1   92.026  ? 92  B 1 .
ATOM 2887 C C    . THR Bxp B 85  ? 14.861 76.135 49.848 1   75.937  ? 92  B 1 .
ATOM 2888 O O    . THR Bxp B 85  ? 14.257 76.903 49.123 1   85.435  ? 92  B 1 .
ATOM 2889 C CB   . THR Bxp B 85  ? 14.112 75.888 52.232 1   86.655  ? 92  B 1 .
ATOM 2890 O OG1  . THR Bxp B 85  ? 14.4   76.308 53.565 1   89.64   ? 92  B 1 .
ATOM 2891 C CG2  . THR Bxp B 85  ? 14.117 74.375 52.132 1   79.888  ? 92  B 1 .
ATOM 2892 H H    . THR Bxp B 85  ? 14.339 78.409 51.347 1   100.83  ? 92  B 1 c
ATOM 2893 H HA   . THR Bxp B 85  ? 16.033 76.185 51.547 1   89.782  ? 92  B 1 c
ATOM 2894 H HB   . THR Bxp B 85  ? 13.214 76.213 51.981 1   86.87   ? 92  B 1 c
ATOM 2895 H HG1  . THR Bxp B 85  ? 15.259 75.951 53.748 0   90.51   ? 92  B 1 c
ATOM 2896 H HG21 . THR Bxp B 85  ? 13.696 73.997 52.923 1   81.83   ? 92  B 1 c
ATOM 2897 H HG22 . THR Bxp B 85  ? 15.033 74.055 52.073 1   81.878  ? 92  B 1 c
ATOM 2898 H HG23 . THR Bxp B 85  ? 13.624 74.097 51.342 1   81.764  ? 92  B 1 c
ATOM 2899 N N    . VAL Bxp B 86  ? 15.269 74.94  49.424 1   72.454  ? 93  B 1 .
ATOM 2900 C CA   . VAL Bxp B 86  ? 15.15  74.551 48.023 1   83.303  ? 93  B 1 .
ATOM 2901 C C    . VAL Bxp B 86  ? 15.064 73.03  47.95  1   86.111  ? 93  B 1 .
ATOM 2902 O O    . VAL Bxp B 86  ? 15.874 72.35  48.582 1   111.859 ? 93  B 1 .
ATOM 2903 C CB   . VAL Bxp B 86  ? 16.325 75.067 47.155 1   89.691  ? 93  B 1 .
ATOM 2904 C CG1  . VAL Bxp B 86  ? 16.322 74.49  45.74  1   80.888  ? 93  B 1 .
ATOM 2905 C CG2  . VAL Bxp B 86  ? 16.417 76.594 47.118 1   91.198  ? 93  B 1 .
ATOM 2906 H H    . VAL Bxp B 86  ? 15.655 74.357 50.013 1   75.846  ? 93  B 1 c
ATOM 2907 H HA   . VAL Bxp B 86  ? 14.32  74.924 47.669 1   82.692  ? 93  B 1 c
ATOM 2908 H HB   . VAL Bxp B 86  ? 17.149 74.751 47.585 1   86.95   ? 93  B 1 c
ATOM 2909 H HG11 . VAL Bxp B 86  ? 15.406 74.405 45.426 1   83.42   ? 93  B 1 c
ATOM 2910 H HG12 . VAL Bxp B 86  ? 16.744 73.614 45.744 1   83.42   ? 93  B 1 c
ATOM 2911 H HG13 . VAL Bxp B 86  ? 16.813 75.081 45.145 1   83.483  ? 93  B 1 c
ATOM 2912 H HG21 . VAL Bxp B 86  ? 17.114 76.863 46.496 1   90.608  ? 93  B 1 c
ATOM 2913 H HG22 . VAL Bxp B 86  ? 16.632 76.928 48.004 1   90.394  ? 93  B 1 c
ATOM 2914 H HG23 . VAL Bxp B 86  ? 15.566 76.964 46.829 1   90.629  ? 93  B 1 c
ATOM 2915 N N    . ARG Bxp B 87  ? 14.103 72.516 47.165 1   85.403  ? 94  B 1 .
ATOM 2916 C CA   . ARG Bxp B 87  ? 13.793 71.092 47.162 1   100.493 ? 94  B 1 .
ATOM 2917 C C    . ARG Bxp B 87  ? 13.97  70.525 45.757 1   107.41  ? 94  B 1 .
ATOM 2918 O O    . ARG Bxp B 87  ? 13.471 71.119 44.801 1   124.275 ? 94  B 1 .
ATOM 2919 C CB   . ARG Bxp B 87  ? 12.398 70.795 47.735 1   101.563 ? 94  B 1 .
ATOM 2920 C CG   . ARG Bxp B 87  ? 12.459 70.575 49.238 1   112.999 ? 94  B 1 .
ATOM 2921 C CD   . ARG Bxp B 87  ? 11.885 71.705 50.079 1   121.984 ? 94  B 1 .
ATOM 2922 N NE   . ARG Bxp B 87  ? 10.423 71.772 50.117 1   143.577 ? 94  B 1 .
ATOM 2923 C CZ   . ARG Bxp B 87  ? 9.574  70.749 50.187 1   155.847 ? 94  B 1 .
ATOM 2924 N NH1  . ARG Bxp B 87  ? 9.976  69.495 50.002 1   134.389 ? 94  B 1 .
ATOM 2925 N NH2  . ARG Bxp B 87  ? 8.295  71.009 50.42  1   168.269 ? 94  B 1 .
ATOM 2926 H H    . ARG Bxp B 87  ? 13.63  73.07  46.613 1   88.674  ? 94  B 1 c
ATOM 2927 H HA   . ARG Bxp B 87  ? 14.452 70.64  47.746 1   98.739  ? 94  B 1 c
ATOM 2928 H HB3  . ARG Bxp B 87  ? 12.031 69.992 47.306 1   103.863 ? 94  B 1 c
ATOM 2929 H HB2  . ARG Bxp B 87  ? 11.799 71.547 47.541 1   103.922 ? 94  B 1 c
ATOM 2930 H HG3  . ARG Bxp B 87  ? 13.396 70.446 49.499 1   111.951 ? 94  B 1 c
ATOM 2931 H HG2  . ARG Bxp B 87  ? 11.996 69.743 49.457 1   112.86  ? 94  B 1 c
ATOM 2932 H HD3  . ARG Bxp B 87  ? 12.231 72.552 49.73  1   124.62  ? 94  B 1 c
ATOM 2933 H HD2  . ARG Bxp B 87  ? 12.221 71.607 50.993 1   124.661 ? 94  B 1 c
ATOM 2934 H HE   . ARG Bxp B 87  ? 10.066 72.567 50.092 1   141.269 ? 94  B 1 c
ATOM 2935 H HH11 . ARG Bxp B 87  ? 10.32  69.039 50.677 1   140.26  ? 94  B 1 c
ATOM 2936 H HH12 . ARG Bxp B 87  ? 9.883  69.118 49.207 1   140.297 ? 94  B 1 c
ATOM 2937 H HH21 . ARG Bxp B 87  ? 7.897  71.675 49.996 1   164.077 ? 94  B 1 c
ATOM 2938 H HH22 . ARG Bxp B 87  ? 7.844  70.513 50.996 1   164.034 ? 94  B 1 c
ATOM 2939 N N    . TRP Bxp B 88  ? 14.669 69.378 45.65  1   92.994  ? 95  B 1 .
ATOM 2940 C CA   . TRP Bxp B 88  ? 15.129 68.883 44.359 1   87.056  ? 95  B 1 .
ATOM 2941 C C    . TRP Bxp B 88  ? 15.119 67.364 44.336 1   85.763  ? 95  B 1 .
ATOM 2942 O O    . TRP Bxp B 88  ? 15.959 66.716 44.947 1   83.7    ? 95  B 1 .
ATOM 2943 C CB   . TRP Bxp B 88  ? 16.531 69.423 44.06  1   84.526  ? 95  B 1 .
ATOM 2944 C CG   . TRP Bxp B 88  ? 17.069 69.173 42.679 1   79.47   ? 95  B 1 .
ATOM 2945 C CD1  . TRP Bxp B 88  ? 17.099 70.075 41.659 1   86.763  ? 95  B 1 .
ATOM 2946 C CD2  . TRP Bxp B 88  ? 17.732 67.986 42.188 1   84.496  ? 95  B 1 .
ATOM 2947 N NE1  . TRP Bxp B 88  ? 17.714 69.534 40.56  1   92.31   ? 95  B 1 .
ATOM 2948 C CE2  . TRP Bxp B 88  ? 18.115 68.26  40.855 1   94.956  ? 95  B 1 .
ATOM 2949 C CE3  . TRP Bxp B 88  ? 18.042 66.731 42.729 1   80.998  ? 95  B 1 .
ATOM 2950 C CZ2  . TRP Bxp B 88  ? 18.775 67.326 40.061 1   107.473 ? 95  B 1 .
ATOM 2951 C CZ3  . TRP Bxp B 88  ? 18.701 65.81  41.944 1   84.232  ? 95  B 1 .
ATOM 2952 C CH2  . TRP Bxp B 88  ? 19.052 66.1   40.626 1   96.919  ? 95  B 1 .
ATOM 2953 H H    . TRP Bxp B 88  ? 14.858 68.893 46.402 1   94.841  ? 95  B 1 c
ATOM 2954 H HA   . TRP Bxp B 88  ? 14.512 69.217 43.655 1   87.97   ? 95  B 1 c
ATOM 2955 H HB3  . TRP Bxp B 88  ? 17.154 69.037 44.712 1   83.885  ? 95  B 1 c
ATOM 2956 H HB2  . TRP Bxp B 88  ? 16.526 70.391 44.221 1   83.886  ? 95  B 1 c
ATOM 2957 H HD1  . TRP Bxp B 88  ? 16.745 70.95  41.695 1   86.339  ? 95  B 1 c
ATOM 2958 H HE1  . TRP Bxp B 88  ? 17.825 69.937 39.794 1   91.492  ? 95  B 1 c
ATOM 2959 H HE3  . TRP Bxp B 88  ? 17.804 66.521 43.612 1   82.824  ? 95  B 1 c
ATOM 2960 H HZ2  . TRP Bxp B 88  ? 19.02  67.526 39.173 1   101.524 ? 95  B 1 c
ATOM 2961 H HZ3  . TRP Bxp B 88  ? 18.907 64.961 42.3   1   86.386  ? 95  B 1 c
ATOM 2962 H HH2  . TRP Bxp B 88  ? 19.507 65.453 40.117 1   95.905  ? 95  B 1 c
ATOM 2963 N N    . GLU Bxp B 89  ? 14.16  66.825 43.587 1   108.792 ? 96  B 1 .
ATOM 2964 C CA   . GLU Bxp B 89  ? 14.028 65.395 43.396 1   109.282 ? 96  B 1 .
ATOM 2965 C C    . GLU Bxp B 89  ? 14.704 64.996 42.085 1   106.261 ? 96  B 1 .
ATOM 2966 O O    . GLU Bxp B 89  ? 14.806 65.794 41.142 1   108.514 ? 96  B 1 .
ATOM 2967 C CB   . GLU Bxp B 89  ? 12.563 64.959 43.307 1   105.642 ? 96  B 1 .
ATOM 2968 C CG   . GLU Bxp B 89  ? 11.606 65.596 44.31  1   107.494 ? 96  B 1 .
ATOM 2969 C CD   . GLU Bxp B 89  ? 10.203 65.026 44.159 1   118.234 ? 96  B 1 .
ATOM 2970 O OE1  . GLU Bxp B 89  ? 9.741  64.859 43.007 1   117.381 ? 96  B 1 .
ATOM 2971 O OE2  . GLU Bxp B 89  ? 9.557  64.752 45.19  1   145.107 ? 96  B 1 .
ATOM 2972 H H    . GLU Bxp B 89  ? 13.559 67.375 43.174 1   102.691 ? 96  B 1 c
ATOM 2973 H HA   . GLU Bxp B 89  ? 14.469 64.926 44.149 1   107.604 ? 96  B 1 c
ATOM 2974 H HB3  . GLU Bxp B 89  ? 12.525 63.993 43.426 1   106.413 ? 96  B 1 c
ATOM 2975 H HB2  . GLU Bxp B 89  ? 12.234 65.159 42.405 1   106.842 ? 96  B 1 c
ATOM 2976 H HG3  . GLU Bxp B 89  ? 11.574 66.566 44.165 1   109.433 ? 96  B 1 c
ATOM 2977 H HG2  . GLU Bxp B 89  ? 11.925 65.428 45.222 1   109.699 ? 96  B 1 c
ATOM 2978 N N    . ASN Bxp B 90  ? 15.172 63.742 42.063 1   101.384 ? 97  B 1 .
ATOM 2979 C CA   . ASN Bxp B 90  ? 15.29  62.971 40.835 1   107.535 ? 97  B 1 .
ATOM 2980 C C    . ASN Bxp B 90  ? 14.468 61.696 41.014 1   111.194 ? 97  B 1 .
ATOM 2981 O O    . ASN Bxp B 90  ? 13.345 61.738 41.504 1   137.439 ? 97  B 1 .
ATOM 2982 C CB   . ASN Bxp B 90  ? 16.736 62.697 40.435 1   102.481 ? 97  B 1 .
ATOM 2983 C CG   . ASN Bxp B 90  ? 17.338 61.604 41.279 1   114.088 ? 97  B 1 .
ATOM 2984 O OD1  . ASN Bxp B 90  ? 17.679 60.537 40.758 1   140.786 ? 97  B 1 .
ATOM 2985 N ND2  . ASN Bxp B 90  ? 17.44  61.826 42.578 1   115.699 ? 97  B 1 .
ATOM 2986 H H    . ASN Bxp B 90  ? 15.408 63.348 42.852 1   104.183 ? 97  B 1 c
ATOM 2987 H HA   . ASN Bxp B 90  ? 14.883 63.493 40.107 1   106.031 ? 97  B 1 c
ATOM 2988 H HB3  . ASN Bxp B 90  ? 17.262 63.514 40.545 1   106.248 ? 97  B 1 c
ATOM 2989 H HB2  . ASN Bxp B 90  ? 16.77  62.437 39.493 1   106.46  ? 97  B 1 c
ATOM 2990 H HD21 . ASN Bxp B 90  ? 18.229 61.726 42.962 1   114.769 ? 97  B 1 c
ATOM 2991 H HD22 . ASN Bxp B 90  ? 16.739 62.066 43.055 1   114.473 ? 97  B 1 c
ATOM 2992 N N    . LYS Bxp B 91  ? 15.01  60.564 40.57  1   118.051 ? 98  B 1 .
ATOM 2993 C CA   . LYS Bxp B 91  ? 14.311 59.297 40.658 1   125.135 ? 98  B 1 .
ATOM 2994 C C    . LYS Bxp B 91  ? 14.745 58.543 41.913 1   118.517 ? 98  B 1 .
ATOM 2995 O O    . LYS Bxp B 91  ? 13.96  57.771 42.462 1   125.037 ? 98  B 1 .
ATOM 2996 C CB   . LYS Bxp B 91  ? 14.609 58.502 39.38  1   142.557 ? 98  B 1 .
ATOM 2997 C CG   . LYS Bxp B 91  ? 13.651 57.357 39.04  1   148.563 ? 98  B 1 .
ATOM 2998 C CD   . LYS Bxp B 91  ? 14.259 56.287 38.139 1   143.813 ? 98  B 1 .
ATOM 2999 C CE   . LYS Bxp B 91  ? 13.263 55.343 37.532 1   134.429 ? 98  B 1 .
ATOM 3000 N NZ   . LYS Bxp B 91  ? 12.396 54.729 38.543 1   134.475 ? 98  B 1 .
ATOM 3001 H H    . LYS Bxp B 91  ? 15.82  60.581 40.151 1   117.693 ? 98  B 1 c
ATOM 3002 H HA   . LYS Bxp B 91  ? 13.337 59.471 40.709 1   125.418 ? 98  B 1 c
ATOM 3003 H HB3  . LYS Bxp B 91  ? 15.513 58.129 39.455 1   139.57  ? 98  B 1 c
ATOM 3004 H HB2  . LYS Bxp B 91  ? 14.613 59.127 38.624 1   139.535 ? 98  B 1 c
ATOM 3005 H HG3  . LYS Bxp B 91  ? 12.86  57.734 38.598 1   146.066 ? 98  B 1 c
ATOM 3006 H HG2  . LYS Bxp B 91  ? 13.356 56.939 39.878 1   145.96  ? 98  B 1 c
ATOM 3007 H HD3  . LYS Bxp B 91  ? 14.907 55.767 38.665 1   142.634 ? 98  B 1 c
ATOM 3008 H HD2  . LYS Bxp B 91  ? 14.755 56.73  37.417 1   142.633 ? 98  B 1 c
ATOM 3009 H HE3  . LYS Bxp B 91  ? 13.736 54.639 37.053 1   136.526 ? 98  B 1 c
ATOM 3010 H HE2  . LYS Bxp B 91  ? 12.71  55.824 36.892 1   136.526 ? 98  B 1 c
ATOM 3011 H HZ1  . LYS Bxp B 91  ? 11.726 55.299 38.761 1   134.538 ? 98  B 1 c
ATOM 3012 H HZ2  . LYS Bxp B 91  ? 12.876 54.534 39.287 1   134.531 ? 98  B 1 c
ATOM 3013 H HZ3  . LYS Bxp B 91  ? 12.038 53.964 38.213 1   134.489 ? 98  B 1 c
ATOM 3014 N N    . THR Bxp B 92  ? 16.003 58.749 42.336 1   113.175 ? 99  B 1 .
ATOM 3015 C CA   . THR Bxp B 92  ? 16.666 57.863 43.285 1   102.889 ? 99  B 1 .
ATOM 3016 C C    . THR Bxp B 92  ? 16.946 58.553 44.628 1   105.36  ? 99  B 1 .
ATOM 3017 O O    . THR Bxp B 92  ? 17.293 57.881 45.601 1   96.116  ? 99  B 1 .
ATOM 3018 C CB   . THR Bxp B 92  ? 17.936 57.33  42.622 1   87.696  ? 99  B 1 .
ATOM 3019 O OG1  . THR Bxp B 92  ? 18.795 58.431 42.343 1   92.057  ? 99  B 1 .
ATOM 3020 C CG2  . THR Bxp B 92  ? 17.637 56.624 41.313 1   85.235  ? 99  B 1 .
ATOM 3021 H H    . THR Bxp B 92  ? 16.475 59.453 42.001 1   112.015 ? 99  B 1 c
ATOM 3022 H HA   . THR Bxp B 92  ? 16.072 57.1   43.454 1   102.305 ? 99  B 1 c
ATOM 3023 H HB   . THR Bxp B 92  ? 18.393 56.704 43.234 1   90.656  ? 99  B 1 c
ATOM 3024 H HG1  . THR Bxp B 92  ? 18.471 58.919 41.698 0   107.25  ? 99  B 1 c
ATOM 3025 H HG21 . THR Bxp B 92  ? 18.314 55.947 41.147 1   86.157  ? 99  B 1 c
ATOM 3026 H HG22 . THR Bxp B 92  ? 17.64  57.269 40.587 1   86.076  ? 99  B 1 c
ATOM 3027 H HG23 . THR Bxp B 92  ? 16.763 56.2   41.365 1   86.194  ? 99  B 1 c
ATOM 3028 N N    . MET Bxp B 93  ? 16.782 59.882 44.697 1   99.703  ? 100 B 1 .
ATOM 3029 C CA   . MET Bxp B 93  ? 16.961 60.608 45.946 1   98.066  ? 100 B 1 .
ATOM 3030 C C    . MET Bxp B 93  ? 16.302 61.997 45.878 1   93.238  ? 100 B 1 .
ATOM 3031 O O    . MET Bxp B 93  ? 16.381 62.696 44.868 1   75.351  ? 100 B 1 .
ATOM 3032 C CB   . MET Bxp B 93  ? 18.46  60.7   46.281 1   101.395 ? 100 B 1 .
ATOM 3033 C CG   . MET Bxp B 93  ? 19.227 61.727 45.465 1   102.312 ? 100 B 1 .
ATOM 3034 S SD   . MET Bxp B 93  ? 20.605 61.059 44.515 1   88.516  ? 100 B 1 .
ATOM 3035 C CE   . MET Bxp B 93  ? 21.332 62.511 43.73  1   80.259  ? 100 B 1 .
ATOM 3036 H H    . MET Bxp B 93  ? 16.519 60.343 43.955 1   101.055 ? 100 B 1 c
ATOM 3037 H HA   . MET Bxp B 93  ? 16.509 60.093 46.659 1   97.937  ? 100 B 1 c
ATOM 3038 H HB3  . MET Bxp B 93  ? 18.868 59.819 46.143 1   100.697 ? 100 B 1 c
ATOM 3039 H HB2  . MET Bxp B 93  ? 18.553 60.923 47.231 1   100.454 ? 100 B 1 c
ATOM 3040 H HG3  . MET Bxp B 93  ? 19.576 62.411 46.068 1   98.969  ? 100 B 1 c
ATOM 3041 H HG2  . MET Bxp B 93  ? 18.62  62.167 44.85  1   99.211  ? 100 B 1 c
ATOM 3042 H HE3  . MET Bxp B 93  ? 21.631 63.136 44.416 1   82.237  ? 100 B 1 c
ATOM 3043 H HE2  . MET Bxp B 93  ? 20.665 62.943 43.165 1   82.237  ? 100 B 1 c
ATOM 3044 H HE1  . MET Bxp B 93  ? 22.093 62.239 43.185 1   82.237  ? 100 B 1 c
ATOM 3045 N N    . TYR Bxp B 94  ? 15.666 62.395 46.989 1   96.48   ? 101 B 1 .
ATOM 3046 C CA   . TYR Bxp B 94  ? 15.298 63.778 47.255 1   95.68   ? 101 B 1 .
ATOM 3047 C C    . TYR Bxp B 94  ? 16.525 64.506 47.815 1   88      ? 101 B 1 .
ATOM 3048 O O    . TYR Bxp B 94  ? 17.567 63.913 48.022 1   83.91   ? 101 B 1 .
ATOM 3049 C CB   . TYR Bxp B 94  ? 14.111 63.866 48.23  1   106.703 ? 101 B 1 .
ATOM 3050 C CG   . TYR Bxp B 94  ? 13.033 62.811 48.037 1   112.242 ? 101 B 1 .
ATOM 3051 C CD1  . TYR Bxp B 94  ? 13.168 61.565 48.637 1   142.787 ? 101 B 1 .
ATOM 3052 C CD2  . TYR Bxp B 94  ? 11.909 63.035 47.248 1   122.131 ? 101 B 1 .
ATOM 3053 C CE1  . TYR Bxp B 94  ? 12.213 60.573 48.468 1   159.462 ? 101 B 1 .
ATOM 3054 C CE2  . TYR Bxp B 94  ? 10.945 62.053 47.07  1   135.618 ? 101 B 1 .
ATOM 3055 C CZ   . TYR Bxp B 94  ? 11.102 60.819 47.678 1   155.529 ? 101 B 1 .
ATOM 3056 O OH   . TYR Bxp B 94  ? 10.171 59.84  47.508 1   152.759 ? 101 B 1 .
ATOM 3057 H H    . TYR Bxp B 94  ? 15.48  61.768 47.626 1   96.275  ? 101 B 1 c
ATOM 3058 H HA   . TYR Bxp B 94  ? 15.035 64.208 46.398 1   96.125  ? 101 B 1 c
ATOM 3059 H HB3  . TYR Bxp B 94  ? 13.7   64.754 48.137 1   105.224 ? 101 B 1 c
ATOM 3060 H HB2  . TYR Bxp B 94  ? 14.458 63.796 49.147 1   105.194 ? 101 B 1 c
ATOM 3061 H HD1  . TYR Bxp B 94  ? 13.924 61.389 49.174 1   137.948 ? 101 B 1 c
ATOM 3062 H HD2  . TYR Bxp B 94  ? 11.799 63.871 46.825 1   123.05  ? 101 B 1 c
ATOM 3063 H HE1  . TYR Bxp B 94  ? 12.321 59.735 48.885 1   153.203 ? 101 B 1 c
ATOM 3064 H HE2  . TYR Bxp B 94  ? 10.191 62.221 46.531 1   136.611 ? 101 B 1 c
ATOM 3065 H HH   . TYR Bxp B 94  ? 10.47  58.964 47.776 0   173.63  ? 101 B 1 c
ATOM 3066 N N    . CYS Bxp B 95  ? 16.389 65.802 48.09  1   100.913 ? 102 B 1 .
ATOM 3067 C CA   . CYS Bxp B 95  ? 17.519 66.659 48.396 1   91.331  ? 102 B 1 .
ATOM 3068 C C    . CYS Bxp B 95  ? 17.048 68.078 48.726 1   91.624  ? 102 B 1 .
ATOM 3069 O O    . CYS Bxp B 95  ? 16.229 68.686 48.039 1   75.971  ? 102 B 1 .
ATOM 3070 C CB   . CYS Bxp B 95  ? 18.489 66.769 47.23  1   85.945  ? 102 B 1 .
ATOM 3071 S SG   . CYS Bxp B 95  ? 19.573 68.206 47.415 1   86.403  ? 102 B 1 .
ATOM 3072 H H    . CYS Bxp B 95  ? 15.552 66.17  48.082 1   95.602  ? 102 B 1 c
ATOM 3073 H HA   . CYS Bxp B 95  ? 17.987 66.285 49.184 1   92.074  ? 102 B 1 c
ATOM 3074 H HB3  . CYS Bxp B 95  ? 17.988 66.853 46.389 1   87.258  ? 102 B 1 c
ATOM 3075 H HB2  . CYS Bxp B 95  ? 19.041 65.957 47.183 1   87.261  ? 102 B 1 c
ATOM 3076 H HG   . CYS Bxp B 95  ? 20.029 68.074 46.235 0   84.82   ? 102 B 1 c
ATOM 3077 N N    . ILE Bxp B 96  ? 17.593 68.619 49.807 1   102.169 ? 103 B 1 .
ATOM 3078 C CA   . ILE Bxp B 96  ? 17.052 69.823 50.414 1   93.829  ? 103 B 1 .
ATOM 3079 C C    . ILE Bxp B 96  ? 18.218 70.663 50.914 1   88.545  ? 103 B 1 .
ATOM 3080 O O    . ILE Bxp B 96  ? 19.049 70.187 51.696 1   97.92   ? 103 B 1 .
ATOM 3081 C CB   . ILE Bxp B 96  ? 16.105 69.514 51.587 1   87.607  ? 103 B 1 .
ATOM 3082 C CG1  . ILE Bxp B 96  ? 15.096 68.412 51.294 1   82.513  ? 103 B 1 .
ATOM 3083 C CG2  . ILE Bxp B 96  ? 15.426 70.794 52.068 1   94.081  ? 103 B 1 .
ATOM 3084 C CD1  . ILE Bxp B 96  ? 14.535 67.792 52.563 1   86.284  ? 103 B 1 .
ATOM 3085 H H    . ILE Bxp B 96  ? 18.329 68.229 50.184 1   97.498  ? 103 B 1 c
ATOM 3086 H HA   . ILE Bxp B 96  ? 16.563 70.325 49.738 1   92.937  ? 103 B 1 c
ATOM 3087 H HB   . ILE Bxp B 96  ? 16.664 69.195 52.324 1   88.915  ? 103 B 1 c
ATOM 3088 H HG12 . ILE Bxp B 96  ? 15.526 67.711 50.765 1   84.672  ? 103 B 1 c
ATOM 3089 H HG13 . ILE Bxp B 96  ? 14.36  68.784 50.766 1   84.697  ? 103 B 1 c
ATOM 3090 H HG21 . ILE Bxp B 96  ? 14.619 70.571 52.562 1   91.989  ? 103 B 1 c
ATOM 3091 H HG22 . ILE Bxp B 96  ? 15.191 71.346 51.303 1   92.108  ? 103 B 1 c
ATOM 3092 H HG23 . ILE Bxp B 96  ? 16.031 71.286 52.647 1   92.082  ? 103 B 1 c
ATOM 3093 H HD11 . ILE Bxp B 96  ? 15.26  67.603 53.187 1   85.195  ? 103 B 1 c
ATOM 3094 H HD12 . ILE Bxp B 96  ? 14.074 66.961 52.34  1   85.172  ? 103 B 1 c
ATOM 3095 H HD13 . ILE Bxp B 96  ? 13.903 68.409 52.978 1   85.21   ? 103 B 1 c
ATOM 3096 N N    . VAL Bxp B 97  ? 18.213 71.923 50.482 1   75.252  ? 104 B 1 .
ATOM 3097 C CA   . VAL Bxp B 97  ? 19.295 72.839 50.764 1   72.377  ? 104 B 1 .
ATOM 3098 C C    . VAL Bxp B 97  ? 18.72  74.116 51.34  1   69.219  ? 104 B 1 .
ATOM 3099 O O    . VAL Bxp B 97  ? 17.82  74.692 50.758 1   69.032  ? 104 B 1 .
ATOM 3100 C CB   . VAL Bxp B 97  ? 20.109 73.1   49.494 1   71.753  ? 104 B 1 .
ATOM 3101 C CG1  . VAL Bxp B 97  ? 21.238 72.104 49.348 1   81.252  ? 104 B 1 .
ATOM 3102 C CG2  . VAL Bxp B 97  ? 19.237 72.993 48.266 1   82.294  ? 104 B 1 .
ATOM 3103 H H    . VAL Bxp B 97  ? 17.492 72.23  50.012 1   77.763  ? 104 B 1 c
ATOM 3104 H HA   . VAL Bxp B 97  ? 19.878 72.432 51.429 1   72.842  ? 104 B 1 c
ATOM 3105 H HB   . VAL Bxp B 97  ? 20.483 74.01  49.552 1   75.408  ? 104 B 1 c
ATOM 3106 H HG11 . VAL Bxp B 97  ? 20.876 71.202 49.328 1   78.252  ? 104 B 1 c
ATOM 3107 H HG12 . VAL Bxp B 97  ? 21.849 72.191 50.099 1   78.223  ? 104 B 1 c
ATOM 3108 H HG13 . VAL Bxp B 97  ? 21.715 72.279 48.521 1   78.104  ? 104 B 1 c
ATOM 3109 H HG21 . VAL Bxp B 97  ? 19.753 73.235 47.481 1   78.927  ? 104 B 1 c
ATOM 3110 H HG22 . VAL Bxp B 97  ? 18.481 73.593 48.354 1   79.063  ? 104 B 1 c
ATOM 3111 H HG23 . VAL Bxp B 97  ? 18.918 72.081 48.169 1   78.973  ? 104 B 1 c
ATOM 3112 N N    . SER Bxp B 98  ? 19.267 74.529 52.483 1   85.463  ? 105 B 1 .
ATOM 3113 C CA   . SER Bxp B 98  ? 18.711 75.616 53.273 1   94.522  ? 105 B 1 .
ATOM 3114 C C    . SER Bxp B 98  ? 19.828 76.54  53.74  1   92.173  ? 105 B 1 .
ATOM 3115 O O    . SER Bxp B 98  ? 20.581 76.172 54.642 1   112.156 ? 105 B 1 .
ATOM 3116 C CB   . SER Bxp B 98  ? 17.906 75.096 54.455 1   89.541  ? 105 B 1 .
ATOM 3117 O OG   . SER Bxp B 98  ? 16.549 74.871 54.104 1   93.803  ? 105 B 1 .
ATOM 3118 H H    . SER Bxp B 98  ? 20.025 74.117 52.785 1   83.013  ? 105 B 1 c
ATOM 3119 H HA   . SER Bxp B 98  ? 18.104 76.136 52.694 1   91.084  ? 105 B 1 c
ATOM 3120 H HB3  . SER Bxp B 98  ? 17.943 75.743 55.178 1   91.575  ? 105 B 1 c
ATOM 3121 H HB2  . SER Bxp B 98  ? 18.302 74.262 54.773 1   91.597  ? 105 B 1 c
ATOM 3122 H HG   . SER Bxp B 98  ? 16.102 74.695 54.681 0   82.72   ? 105 B 1 c
ATOM 3123 N N    . VAL Bxp B 99  ? 19.91  77.737 53.143 1   82.648  ? 106 B 1 .
ATOM 3124 C CA   . VAL Bxp B 99  ? 20.902 78.715 53.563 1   82.929  ? 106 B 1 .
ATOM 3125 C C    . VAL Bxp B 99  ? 20.225 79.809 54.389 1   78.13   ? 106 B 1 .
ATOM 3126 O O    . VAL Bxp B 99  ? 19.102 80.196 54.117 1   73.063  ? 106 B 1 .
ATOM 3127 C CB   . VAL Bxp B 99  ? 21.688 79.338 52.402 1   74.392  ? 106 B 1 .
ATOM 3128 C CG1  . VAL Bxp B 99  ? 21.948 78.328 51.294 1   76.34   ? 106 B 1 .
ATOM 3129 C CG2  . VAL Bxp B 99  ? 20.975 80.567 51.876 1   75.362  ? 106 B 1 .
ATOM 3130 H H    . VAL Bxp B 99  ? 19.339 77.948 52.462 1   84.959  ? 106 B 1 c
ATOM 3131 H HA   . VAL Bxp B 99  ? 21.542 78.259 54.138 1   80.522  ? 106 B 1 c
ATOM 3132 H HB   . VAL Bxp B 99  ? 22.559 79.627 52.76  1   76.431  ? 106 B 1 c
ATOM 3133 H HG11 . VAL Bxp B 99  ? 21.116 78.128 50.835 1   75.578  ? 106 B 1 c
ATOM 3134 H HG12 . VAL Bxp B 99  ? 22.31  77.512 51.678 1   75.717  ? 106 B 1 c
ATOM 3135 H HG13 . VAL Bxp B 99  ? 22.586 78.698 50.661 1   75.717  ? 106 B 1 c
ATOM 3136 H HG21 . VAL Bxp B 99  ? 21.435 80.886 51.083 1   75.325  ? 106 B 1 c
ATOM 3137 H HG22 . VAL Bxp B 99  ? 20.982 81.266 52.551 1   75.166  ? 106 B 1 c
ATOM 3138 H HG23 . VAL Bxp B 99  ? 20.057 80.34  51.652 1   75.268  ? 106 B 1 c
ATOM 3139 N N    . PHE Bxp B 100 ? 20.946 80.322 55.39  1   85.263  ? 107 B 1 .
ATOM 3140 C CA   . PHE Bxp B 100 ? 20.416 81.317 56.306 1   86.414  ? 107 B 1 .
ATOM 3141 C C    . PHE Bxp B 100 ? 21.325 82.542 56.308 1   91.664  ? 107 B 1 .
ATOM 3142 O O    . PHE Bxp B 100 ? 22.513 82.465 56.009 1   93.477  ? 107 B 1 .
ATOM 3143 C CB   . PHE Bxp B 100 ? 20.284 80.781 57.727 1   81.6    ? 107 B 1 .
ATOM 3144 C CG   . PHE Bxp B 100 ? 19.372 79.575 57.845 1   86.122  ? 107 B 1 .
ATOM 3145 C CD1  . PHE Bxp B 100 ? 19.525 78.464 57.027 1   86.639  ? 107 B 1 .
ATOM 3146 C CD2  . PHE Bxp B 100 ? 18.354 79.564 58.782 1   91.534  ? 107 B 1 .
ATOM 3147 C CE1  . PHE Bxp B 100 ? 18.7   77.366 57.151 1   85.47   ? 107 B 1 .
ATOM 3148 C CE2  . PHE Bxp B 100 ? 17.564 78.442 58.941 1   90.537  ? 107 B 1 .
ATOM 3149 C CZ   . PHE Bxp B 100 ? 17.729 77.352 58.115 1   92.637  ? 107 B 1 .
ATOM 3150 H H    . PHE Bxp B 100 ? 21.808 80.041 55.505 1   83.727  ? 107 B 1 c
ATOM 3151 H HA   . PHE Bxp B 100 ? 19.516 81.594 55.991 1   86.192  ? 107 B 1 c
ATOM 3152 H HB3  . PHE Bxp B 100 ? 19.94  81.501 58.301 1   83.819  ? 107 B 1 c
ATOM 3153 H HB2  . PHE Bxp B 100 ? 21.179 80.537 58.053 1   83.721  ? 107 B 1 c
ATOM 3154 H HD1  . PHE Bxp B 100 ? 20.213 78.452 56.384 1   86.246  ? 107 B 1 c
ATOM 3155 H HD2  . PHE Bxp B 100 ? 18.248 80.299 59.365 1   89.921  ? 107 B 1 c
ATOM 3156 H HE1  . PHE Bxp B 100 ? 18.833 76.614 56.603 1   87.591  ? 107 B 1 c
ATOM 3157 H HE2  . PHE Bxp B 100 ? 16.868 78.447 59.58  1   91.135  ? 107 B 1 c
ATOM 3158 H HZ   . PHE Bxp B 100 ? 17.157 76.605 58.199 1   90.356  ? 107 B 1 c
ATOM 3159 N N    . GLY Bxp B 101 ? 20.744 83.687 56.653 1   95.091  ? 108 B 1 .
ATOM 3160 C CA   . GLY Bxp B 101 ? 21.372 84.954 56.339 1   99.09   ? 108 B 1 .
ATOM 3161 C C    . GLY Bxp B 101 ? 21.279 85.912 57.514 1   107.033 ? 108 B 1 .
ATOM 3162 O O    . GLY Bxp B 101 ? 20.529 86.875 57.475 1   137.438 ? 108 B 1 .
ATOM 3163 H H    . GLY Bxp B 101 ? 19.943 83.681 57.092 1   95.08   ? 108 B 1 c
ATOM 3164 H HA3  . GLY Bxp B 101 ? 20.925 85.35  55.555 1   100.007 ? 108 B 1 c
ATOM 3165 H HA2  . GLY Bxp B 101 ? 22.318 84.806 56.108 1   99.776  ? 108 B 1 c
ATOM 3166 N N    . LEU Bxp B 102 ? 22.079 85.644 58.542 1   109.398 ? 109 B 1 .
ATOM 3167 C CA   . LEU Bxp B 102 ? 22.108 86.479 59.724 1   92.624  ? 109 B 1 .
ATOM 3168 C C    . LEU Bxp B 102 ? 23.11  87.612 59.516 1   102.355 ? 109 B 1 .
ATOM 3169 O O    . LEU Bxp B 102 ? 24.199 87.417 58.986 1   104.529 ? 109 B 1 .
ATOM 3170 C CB   . LEU Bxp B 102 ? 22.452 85.619 60.934 1   94.313  ? 109 B 1 .
ATOM 3171 C CG   . LEU Bxp B 102 ? 21.427 84.538 61.295 1   95.655  ? 109 B 1 .
ATOM 3172 C CD1  . LEU Bxp B 102 ? 21.673 83.27  60.494 1   100.501 ? 109 B 1 .
ATOM 3173 C CD2  . LEU Bxp B 102 ? 21.409 84.213 62.788 1   93.743  ? 109 B 1 .
ATOM 3174 H H    . LEU Bxp B 102 ? 22.64  84.923 58.498 1   104.535 ? 109 B 1 c
ATOM 3175 H HA   . LEU Bxp B 102 ? 21.208 86.864 59.851 1   98.266  ? 109 B 1 c
ATOM 3176 H HB3  . LEU Bxp B 102 ? 22.563 86.216 61.71  1   94.248  ? 109 B 1 c
ATOM 3177 H HB2  . LEU Bxp B 102 ? 23.32  85.186 60.767 1   94.356  ? 109 B 1 c
ATOM 3178 H HG   . LEU Bxp B 102 ? 20.528 84.878 61.051 1   95.931  ? 109 B 1 c
ATOM 3179 H HD11 . LEU Bxp B 102 ? 21.321 83.379 59.595 1   99.119  ? 109 B 1 c
ATOM 3180 H HD12 . LEU Bxp B 102 ? 21.226 82.521 60.924 1   99.031  ? 109 B 1 c
ATOM 3181 H HD13 . LEU Bxp B 102 ? 22.627 83.092 60.448 1   98.998  ? 109 B 1 c
ATOM 3182 H HD21 . LEU Bxp B 102 ? 21.899 84.894 63.278 1   94.434  ? 109 B 1 c
ATOM 3183 H HD22 . LEU Bxp B 102 ? 21.825 83.347 62.939 1   94.271  ? 109 B 1 c
ATOM 3184 H HD23 . LEU Bxp B 102 ? 20.49  84.187 63.103 1   94.321  ? 109 B 1 c
ATOM 3185 N N    . ALA Bxp B 103 ? 22.733 88.808 59.969 1   117.669 ? 110 B 1 .
ATOM 3186 C CA   . ALA Bxp B 103 ? 23.585 89.976 59.853 1   115.847 ? 110 B 1 .
ATOM 3187 C C    . ALA Bxp B 103 ? 24.38  90.205 61.144 1   107.381 ? 110 B 1 .
ATOM 3188 O O    . ALA Bxp B 103 ? 23.992 89.781 62.24  1   89.332  ? 110 B 1 .
ATOM 3189 C CB   . ALA Bxp B 103 ? 22.727 91.159 59.496 1   125.441 ? 110 B 1 .
ATOM 3190 H H    . ALA Bxp B 103 ? 21.916 88.899 60.368 1   113.078 ? 110 B 1 c
ATOM 3191 H HA   . ALA Bxp B 103 ? 24.234 89.817 59.114 1   116.192 ? 110 B 1 c
ATOM 3192 H HB3  . ALA Bxp B 103 ? 23.287 91.946 59.381 1   122.503 ? 110 B 1 c
ATOM 3193 H HB2  . ALA Bxp B 103 ? 22.085 91.324 60.207 1   122.503 ? 110 B 1 c
ATOM 3194 H HB1  . ALA Bxp B 103 ? 22.251 90.98  58.668 1   122.503 ? 110 B 1 c
ATOM 3195 N N    . VAL Bxp B 104 ? 25.511 90.896 60.983 1   102.192 ? 111 B 1 .
ATOM 3196 C CA   . VAL Bxp B 104 ? 26.467 91.117 62.057 1   116.366 ? 111 B 1 .
ATOM 3197 C C    . VAL Bxp B 104 ? 25.964 92.253 62.969 1   130.458 ? 111 B 1 .
ATOM 3198 O O    . VAL Bxp B 104 ? 26.008 92.054 64.216 1   133.325 ? 111 B 1 .
ATOM 3199 C CB   . VAL Bxp B 104 ? 27.871 91.428 61.499 1   114.225 ? 111 B 1 .
ATOM 3200 C CG1  . VAL Bxp B 104 ? 28.427 90.272 60.68  1   106.212 ? 111 B 1 .
ATOM 3201 C CG2  . VAL Bxp B 104 ? 27.902 92.721 60.683 1   130.701 ? 111 B 1 .
ATOM 3202 O OXT  . VAL Bxp B 104 ? 25.566 93.308 62.408 1   129.104 ? 111 B 1 .
ATOM 3203 H H    . VAL Bxp B 104 ? 25.695 91.242 60.158 1   106.966 ? 111 B 1 c
ATOM 3204 H HA   . VAL Bxp B 104 ? 26.523 90.299 62.588 1   115.351 ? 111 B 1 c
ATOM 3205 H HB   . VAL Bxp B 104 ? 28.467 91.554 62.275 1   115.944 ? 111 B 1 c
ATOM 3206 H HG11 . VAL Bxp B 104 ? 27.71  89.856 60.174 1   108.551 ? 111 B 1 c
ATOM 3207 H HG12 . VAL Bxp B 104 ? 28.825 89.616 61.275 1   108.458 ? 111 B 1 c
ATOM 3208 H HG13 . VAL Bxp B 104 ? 29.106 90.602 60.067 1   108.739 ? 111 B 1 c
ATOM 3209 H HG21 . VAL Bxp B 104 ? 28.684 92.724 60.106 1   125.286 ? 111 B 1 c
ATOM 3210 H HG22 . VAL Bxp B 104 ? 27.945 93.483 61.285 1   125.524 ? 111 B 1 c
ATOM 3211 H HG23 . VAL Bxp B 104 ? 27.101 92.785 60.139 1   125.249 ? 111 B 1 c
ATOM 3212 N N    . ASN Cxp C 1   ? 38.243 87.135 62.547 1   103.798 ? 109 C 1 .
ATOM 3213 C CA   . ASN Cxp C 1   ? 36.878 87.633 62.235 1   112.745 ? 109 C 1 .
ATOM 3214 C C    . ASN Cxp C 1   ? 36.053 86.477 61.657 1   128.451 ? 109 C 1 .
ATOM 3215 O O    . ASN Cxp C 1   ? 35.889 85.456 62.32  1   130.353 ? 109 C 1 .
ATOM 3216 C CB   . ASN Cxp C 1   ? 36.978 88.889 61.373 1   117.522 ? 109 C 1 .
ATOM 3217 C CG   . ASN Cxp C 1   ? 35.795 89.81  61.555 1   119.931 ? 109 C 1 .
ATOM 3218 O OD1  . ASN Cxp C 1   ? 35.056 89.698 62.541 1   103.654 ? 109 C 1 .
ATOM 3219 N ND2  . ASN Cxp C 1   ? 35.622 90.752 60.64  1   126.41  ? 109 C 1 .
ATOM 3220 H H    . ASN Cxp C 1   ? 38.696 87.754 63.022 1   106.571 ? 109 C 1 c
ATOM 3221 H H2   . ASN Cxp C 1   ? 38.691 86.967 61.782 1   106.517 ? 109 C 1 c
ATOM 3222 H H3   . ASN Cxp C 1   ? 38.194 86.375 63.031 1   106.608 ? 109 C 1 c
ATOM 3223 H HA   . ASN Cxp C 1   ? 36.462 87.897 63.085 1   114.499 ? 109 C 1 c
ATOM 3224 H HB3  . ASN Cxp C 1   ? 37.05  88.636 60.432 1   117.187 ? 109 C 1 c
ATOM 3225 H HB2  . ASN Cxp C 1   ? 37.793 89.373 61.613 1   116.856 ? 109 C 1 c
ATOM 3226 H HD21 . ASN Cxp C 1   ? 35.144 91.473 60.834 1   124.184 ? 109 C 1 c
ATOM 3227 H HD22 . ASN Cxp C 1   ? 35.983 90.661 59.834 1   124.231 ? 109 C 1 c
ATOM 3228 N N    . LEU Cxp C 2   ? 35.522 86.636 60.431 1   134.797 ? 110 C 1 .
ATOM 3229 C CA   . LEU Cxp C 2   ? 34.539 85.707 59.882 1   120.437 ? 110 C 1 .
ATOM 3230 C C    . LEU Cxp C 2   ? 35.213 84.614 59.047 1   115.65  ? 110 C 1 .
ATOM 3231 O O    . LEU Cxp C 2   ? 36.005 84.921 58.164 1   126.124 ? 110 C 1 .
ATOM 3232 C CB   . LEU Cxp C 2   ? 33.503 86.482 59.069 1   110.409 ? 110 C 1 .
ATOM 3233 C CG   . LEU Cxp C 2   ? 32.435 87.222 59.889 1   106.984 ? 110 C 1 .
ATOM 3234 C CD1  . LEU Cxp C 2   ? 32.926 88.593 60.369 1   102.4   ? 110 C 1 .
ATOM 3235 C CD2  . LEU Cxp C 2   ? 31.101 87.319 59.121 1   95.637  ? 110 C 1 .
ATOM 3236 H H    . LEU Cxp C 2   ? 35.786 87.341 59.915 1   129.274 ? 110 C 1 c
ATOM 3237 H HA   . LEU Cxp C 2   ? 34.079 85.271 60.64  1   119.658 ? 110 C 1 c
ATOM 3238 H HB3  . LEU Cxp C 2   ? 33.048 85.846 58.473 1   111.477 ? 110 C 1 c
ATOM 3239 H HB2  . LEU Cxp C 2   ? 33.976 87.136 58.504 1   111.753 ? 110 C 1 c
ATOM 3240 H HG   . LEU Cxp C 2   ? 32.258 86.68  60.701 1   104.63  ? 110 C 1 c
ATOM 3241 H HD11 . LEU Cxp C 2   ? 33.151 88.543 61.313 1   103.809 ? 110 C 1 c
ATOM 3242 H HD12 . LEU Cxp C 2   ? 32.225 89.254 60.24  1   103.691 ? 110 C 1 c
ATOM 3243 H HD13 . LEU Cxp C 2   ? 33.713 88.855 59.863 1   103.887 ? 110 C 1 c
ATOM 3244 H HD21 . LEU Cxp C 2   ? 30.772 86.426 58.925 1   98.91   ? 110 C 1 c
ATOM 3245 H HD22 . LEU Cxp C 2   ? 31.24  87.802 58.289 1   98.842  ? 110 C 1 c
ATOM 3246 H HD23 . LEU Cxp C 2   ? 30.447 87.792 59.663 1   98.867  ? 110 C 1 c
ATOM 3247 N N    . SER Cxp C 3   ? 34.844 83.343 59.301 1   100.335 ? 111 C 1 .
ATOM 3248 C CA   . SER Cxp C 3   ? 35.566 82.174 58.805 1   82.265  ? 111 C 1 .
ATOM 3249 C C    . SER Cxp C 3   ? 34.597 81.041 58.469 1   81.587  ? 111 C 1 .
ATOM 3250 O O    . SER Cxp C 3   ? 33.394 81.232 58.557 1   92.911  ? 111 C 1 .
ATOM 3251 C CB   . SER Cxp C 3   ? 36.54  81.732 59.838 1   77.071  ? 111 C 1 .
ATOM 3252 O OG   . SER Cxp C 3   ? 36.489 82.626 60.94  1   81.86   ? 111 C 1 .
ATOM 3253 H H    . SER Cxp C 3   ? 34.098 83.203 59.81  1   99.392  ? 111 C 1 c
ATOM 3254 H HA   . SER Cxp C 3   ? 36.059 82.426 57.983 1   84.651  ? 111 C 1 c
ATOM 3255 H HB3  . SER Cxp C 3   ? 37.437 81.73  59.46  1   79.451  ? 111 C 1 c
ATOM 3256 H HB2  . SER Cxp C 3   ? 36.324 80.829 60.138 1   79.836  ? 111 C 1 c
ATOM 3257 H HG   . SER Cxp C 3   ? 37.316 82.289 61.45  0   130.99  ? 111 C 1 c
ATOM 3258 N N    . VAL Cxp C 4   ? 35.122 79.854 58.121 1   89.213  ? 112 C 1 .
ATOM 3259 C CA   . VAL Cxp C 4   ? 34.326 78.727 57.642 1   86.742  ? 112 C 1 .
ATOM 3260 C C    . VAL Cxp C 4   ? 34.403 77.554 58.623 1   88.215  ? 112 C 1 .
ATOM 3261 O O    . VAL Cxp C 4   ? 35.36  77.463 59.388 1   86.453  ? 112 C 1 .
ATOM 3262 C CB   . VAL Cxp C 4   ? 34.859 78.328 56.256 1   84.444  ? 112 C 1 .
ATOM 3263 C CG1  . VAL Cxp C 4   ? 33.855 77.515 55.453 1   88.808  ? 112 C 1 .
ATOM 3264 C CG2  . VAL Cxp C 4   ? 35.269 79.55  55.451 1   90.216  ? 112 C 1 .
ATOM 3265 H H    . VAL Cxp C 4   ? 36.028 79.745 58.178 1   86.645  ? 112 C 1 c
ATOM 3266 H HA   . VAL Cxp C 4   ? 33.396 79.009 57.554 1   87.111  ? 112 C 1 c
ATOM 3267 H HB   . VAL Cxp C 4   ? 35.661 77.773 56.398 1   86.737  ? 112 C 1 c
ATOM 3268 H HG11 . VAL Cxp C 4   ? 32.996 77.968 55.454 1   87.502  ? 112 C 1 c
ATOM 3269 H HG12 . VAL Cxp C 4   ? 33.756 76.635 55.854 1   87.591  ? 112 C 1 c
ATOM 3270 H HG13 . VAL Cxp C 4   ? 34.169 77.418 54.538 1   87.538  ? 112 C 1 c
ATOM 3271 H HG21 . VAL Cxp C 4   ? 35.343 79.312 54.511 1   88.466  ? 112 C 1 c
ATOM 3272 H HG22 . VAL Cxp C 4   ? 36.128 79.875 55.768 1   88.473  ? 112 C 1 c
ATOM 3273 H HG23 . VAL Cxp C 4   ? 34.6   80.247 55.554 1   88.465  ? 112 C 1 c
ATOM 3274 N N    . TYR Cxp C 5   ? 33.421 76.632 58.578 1   96.073  ? 113 C 1 .
ATOM 3275 C CA   . TYR Cxp C 5   ? 33.379 75.549 59.552 1   100.804 ? 113 C 1 .
ATOM 3276 C C    . TYR Cxp C 5   ? 32.971 74.163 58.996 1   99.511  ? 113 C 1 .
ATOM 3277 O O    . TYR Cxp C 5   ? 32.924 73.87  57.789 1   70.735  ? 113 C 1 .
ATOM 3278 C CB   . TYR Cxp C 5   ? 32.496 76.054 60.698 1   87.72   ? 113 C 1 .
ATOM 3279 C CG   . TYR Cxp C 5   ? 32.622 75.216 61.966 1   103.172 ? 113 C 1 .
ATOM 3280 C CD1  . TYR Cxp C 5   ? 33.869 74.881 62.484 1   118.616 ? 113 C 1 .
ATOM 3281 C CD2  . TYR Cxp C 5   ? 31.5   74.666 62.583 1   110.289 ? 113 C 1 .
ATOM 3282 C CE1  . TYR Cxp C 5   ? 33.989 74.086 63.614 1   121.676 ? 113 C 1 .
ATOM 3283 C CE2  . TYR Cxp C 5   ? 31.606 73.868 63.712 1   102.865 ? 113 C 1 .
ATOM 3284 C CZ   . TYR Cxp C 5   ? 32.855 73.596 64.24  1   122.9   ? 113 C 1 .
ATOM 3285 O OH   . TYR Cxp C 5   ? 32.984 72.832 65.367 1   171.774 ? 113 C 1 .
ATOM 3286 H H    . TYR Cxp C 5   ? 32.768 76.686 57.94  1   94.998  ? 113 C 1 c
ATOM 3287 H HA   . TYR Cxp C 5   ? 34.294 75.452 59.913 1   97.189  ? 113 C 1 c
ATOM 3288 H HB3  . TYR Cxp C 5   ? 31.56  76.045 60.4   1   94.083  ? 113 C 1 c
ATOM 3289 H HB2  . TYR Cxp C 5   ? 32.744 76.983 60.903 1   93.947  ? 113 C 1 c
ATOM 3290 H HD1  . TYR Cxp C 5   ? 34.648 75.225 62.079 1   115.164 ? 113 C 1 c
ATOM 3291 H HD2  . TYR Cxp C 5   ? 30.643 74.862 62.239 1   106.953 ? 113 C 1 c
ATOM 3292 H HE1  . TYR Cxp C 5   ? 34.838 73.903 63.974 1   121.134 ? 113 C 1 c
ATOM 3293 H HE2  . TYR Cxp C 5   ? 30.831 73.541 64.137 1   109.307 ? 113 C 1 c
ATOM 3294 H HH   . TYR Cxp C 5   ? 33.739 72.727 65.832 0   278.98  ? 113 C 1 c
ATOM 3295 N N    . ASN Cxp C 6   ? 32.767 73.257 59.959 1   98.125  ? 114 C 1 .
ATOM 3296 C CA   . ASN Cxp C 6   ? 32.612 71.856 59.686 1   115.748 ? 114 C 1 .
ATOM 3297 C C    . ASN Cxp C 6   ? 31.18  71.365 59.862 1   98.635  ? 114 C 1 .
ATOM 3298 O O    . ASN Cxp C 6   ? 30.466 71.678 60.809 1   63.719  ? 114 C 1 .
ATOM 3299 C CB   . ASN Cxp C 6   ? 33.562 70.957 60.48  1   162.495 ? 114 C 1 .
ATOM 3300 C CG   . ASN Cxp C 6   ? 33.196 70.8   61.936 1   175.451 ? 114 C 1 .
ATOM 3301 O OD1  . ASN Cxp C 6   ? 32.38  71.574 62.445 1   184.027 ? 114 C 1 .
ATOM 3302 N ND2  . ASN Cxp C 6   ? 33.828 69.872 62.648 1   146.871 ? 114 C 1 .
ATOM 3303 H H    . ASN Cxp C 6   ? 32.739 73.525 60.828 1   102.339 ? 114 C 1 c
ATOM 3304 H HA   . ASN Cxp C 6   ? 32.843 71.741 58.763 1   118.413 ? 114 C 1 c
ATOM 3305 H HB3  . ASN Cxp C 6   ? 34.463 71.327 60.423 1   153.169 ? 114 C 1 c
ATOM 3306 H HB2  . ASN Cxp C 6   ? 33.58  70.072 60.076 1   153.725 ? 114 C 1 c
ATOM 3307 H HD21 . ASN Cxp C 6   ? 33.372 69.375 63.224 1   155.138 ? 114 C 1 c
ATOM 3308 H HD22 . ASN Cxp C 6   ? 34.706 69.78  62.569 1   155.135 ? 114 C 1 c
ATOM 3309 N N    . VAL Cxp C 7   ? 30.744 70.813 58.741 1   140.649 ? 115 C 1 .
ATOM 3310 C CA   . VAL Cxp C 7   ? 31.167 69.486 58.32  1   168.22  ? 115 C 1 .
ATOM 3311 C C    . VAL Cxp C 7   ? 31.089 68.419 59.413 1   137.338 ? 115 C 1 .
ATOM 3312 O O    . VAL Cxp C 7   ? 31.817 67.415 59.325 1   152.246 ? 115 C 1 .
ATOM 3313 C CB   . VAL Cxp C 7   ? 32.643 69.671 57.879 1   207.154 ? 115 C 1 .
ATOM 3314 C CG1  . VAL Cxp C 7   ? 33.221 68.42  57.219 1   200.982 ? 115 C 1 .
ATOM 3315 C CG2  . VAL Cxp C 7   ? 32.908 70.962 57.074 1   192.084 ? 115 C 1 .
ATOM 3316 H H    . VAL Cxp C 7   ? 30.159 71.275 58.214 1   134.419 ? 115 C 1 c
ATOM 3317 H HA   . VAL Cxp C 7   ? 30.632 69.206 57.552 1   162.719 ? 115 C 1 c
ATOM 3318 H HB   . VAL Cxp C 7   ? 33.163 69.752 58.696 1   192.355 ? 115 C 1 c
ATOM 3319 H HG11 . VAL Cxp C 7   ? 32.497 67.846 56.917 1   201.389 ? 115 C 1 c
ATOM 3320 H HG12 . VAL Cxp C 7   ? 33.767 67.938 57.861 1   201.985 ? 115 C 1 c
ATOM 3321 H HG13 . VAL Cxp C 7   ? 33.77  68.677 56.466 1   202.219 ? 115 C 1 c
ATOM 3322 H HG21 . VAL Cxp C 7   ? 33.717 71.393 57.397 1   192.368 ? 115 C 1 c
ATOM 3323 H HG22 . VAL Cxp C 7   ? 32.154 71.569 57.153 1   190.958 ? 115 C 1 c
ATOM 3324 H HG23 . VAL Cxp C 7   ? 33.027 70.734 56.136 1   194.624 ? 115 C 1 c
ATOM 3325 N N    . GLN Cxp C 8   ? 30.204 68.589 60.408 1   86.225  ? 116 C 1 .
ATOM 3326 C CA   . GLN Cxp C 8   ? 30.105 67.542 61.41  1   103.24  ? 116 C 1 .
ATOM 3327 C C    . GLN Cxp C 8   ? 28.791 66.799 61.284 1   106.611 ? 116 C 1 .
ATOM 3328 O O    . GLN Cxp C 8   ? 28.108 66.697 62.302 1   128.533 ? 116 C 1 .
ATOM 3329 C CB   . GLN Cxp C 8   ? 30.295 67.964 62.865 1   131.422 ? 116 C 1 .
ATOM 3330 C CG   . GLN Cxp C 8   ? 29.855 69.392 63.175 1   148.559 ? 116 C 1 .
ATOM 3331 C CD   . GLN Cxp C 8   ? 29.659 69.65  64.66  1   130.853 ? 116 C 1 .
ATOM 3332 O OE1  . GLN Cxp C 8   ? 30.227 68.964 65.517 1   145.06  ? 116 C 1 .
ATOM 3333 N NE2  . GLN Cxp C 8   ? 28.893 70.68  65     1   101.28  ? 116 C 1 .
ATOM 3334 H H    . GLN Cxp C 8   ? 29.655 69.318 60.447 1   101.112 ? 116 C 1 c
ATOM 3335 H HA   . GLN Cxp C 8   ? 30.827 66.892 61.233 1   104.765 ? 116 C 1 c
ATOM 3336 H HB3  . GLN Cxp C 8   ? 31.245 67.878 63.085 1   127.856 ? 116 C 1 c
ATOM 3337 H HB2  . GLN Cxp C 8   ? 29.804 67.347 63.446 1   127.864 ? 116 C 1 c
ATOM 3338 H HG3  . GLN Cxp C 8   ? 29.012 69.578 62.71  1   139.988 ? 116 C 1 c
ATOM 3339 H HG2  . GLN Cxp C 8   ? 30.527 70.016 62.834 1   140.005 ? 116 C 1 c
ATOM 3340 H HE21 . GLN Cxp C 8   ? 28.401 70.641 65.737 1   109.662 ? 116 C 1 c
ATOM 3341 H HE22 . GLN Cxp C 8   ? 28.875 71.406 64.49  1   109.836 ? 116 C 1 c
ATOM 3342 N N    . ALA Cxp C 9   ? 28.388 66.605 60.011 1   95.191  ? 117 C 1 .
ATOM 3343 C CA   . ALA Cxp C 9   ? 28.823 65.48  59.184 1   64.454  ? 117 C 1 .
ATOM 3344 C C    . ALA Cxp C 9   ? 27.7   64.566 58.717 1   62.827  ? 117 C 1 .
ATOM 3345 O O    . ALA Cxp C 9   ? 27.695 64.291 57.543 1   65.794  ? 117 C 1 .
ATOM 3346 C CB   . ALA Cxp C 9   ? 29.955 64.705 59.822 1   61.479  ? 117 C 1 .
ATOM 3347 H H    . ALA Cxp C 9   ? 27.81  67.21  59.644 1   89.468  ? 117 C 1 c
ATOM 3348 H HA   . ALA Cxp C 9   ? 29.198 65.889 58.356 1   68.594  ? 117 C 1 c
ATOM 3349 H HB3  . ALA Cxp C 9   ? 30.115 63.889 59.319 1   62.627  ? 117 C 1 c
ATOM 3350 H HB2  . ALA Cxp C 9   ? 29.724 64.474 60.737 1   62.782  ? 117 C 1 c
ATOM 3351 H HB1  . ALA Cxp C 9   ? 30.764 65.242 59.82  1   63.372  ? 117 C 1 c
ATOM 3352 N N    . THR Cxp C 10  ? 26.697 64.23  59.549 1   88.711  ? 118 C 1 .
ATOM 3353 C CA   . THR Cxp C 10  ? 25.992 62.939 59.574 1   101.765 ? 118 C 1 .
ATOM 3354 C C    . THR Cxp C 10  ? 25.965 62.219 58.219 1   83.382  ? 118 C 1 .
ATOM 3355 O O    . THR Cxp C 10  ? 25.687 62.795 57.159 1   68.998  ? 118 C 1 .
ATOM 3356 C CB   . THR Cxp C 10  ? 24.559 62.99  60.152 1   108.971 ? 118 C 1 .
ATOM 3357 O OG1  . THR Cxp C 10  ? 23.59  63.365 59.169 1   86.461  ? 118 C 1 .
ATOM 3358 C CG2  . THR Cxp C 10  ? 24.429 63.8   61.436 1   100.734 ? 118 C 1 .
ATOM 3359 H H    . THR Cxp C 10  ? 26.431 64.865 60.151 1   84.364  ? 118 C 1 c
ATOM 3360 H HA   . THR Cxp C 10  ? 26.509 62.368 60.182 1   96.383  ? 118 C 1 c
ATOM 3361 H HB   . THR Cxp C 10  ? 24.349 62.065 60.421 1   101.933 ? 118 C 1 c
ATOM 3362 H HG1  . THR Cxp C 10  ? 24.138 64.38  59.393 0   96.05   ? 118 C 1 c
ATOM 3363 H HG21 . THR Cxp C 10  ? 23.684 63.461 61.961 1   103.093 ? 118 C 1 c
ATOM 3364 H HG22 . THR Cxp C 10  ? 24.271 64.734 61.217 1   103.093 ? 118 C 1 c
ATOM 3365 H HG23 . THR Cxp C 10  ? 25.249 63.724 61.953 1   103.093 ? 118 C 1 c
ATOM 3366 N N    . ASN Cxp C 11  ? 26.185 60.902 58.315 1   74.775  ? 119 C 1 .
ATOM 3367 C CA   . ASN Cxp C 11  ? 26.166 60.005 57.17  1   76.971  ? 119 C 1 .
ATOM 3368 C C    . ASN Cxp C 11  ? 25.7   58.621 57.621 1   76.316  ? 119 C 1 .
ATOM 3369 O O    . ASN Cxp C 11  ? 26.383 57.943 58.386 1   74.886  ? 119 C 1 .
ATOM 3370 C CB   . ASN Cxp C 11  ? 27.532 59.937 56.499 1   73.656  ? 119 C 1 .
ATOM 3371 C CG   . ASN Cxp C 11  ? 27.651 58.746 55.591 1   71.559  ? 119 C 1 .
ATOM 3372 O OD1  . ASN Cxp C 11  ? 27.579 58.887 54.374 1   95      ? 119 C 1 .
ATOM 3373 N ND2  . ASN Cxp C 11  ? 27.776 57.563 56.151 1   73.996  ? 119 C 1 .
ATOM 3374 H H    . ASN Cxp C 11  ? 26.356 60.545 59.138 1   77.557  ? 119 C 1 c
ATOM 3375 H HA   . ASN Cxp C 11  ? 25.528 60.355 56.51  1   75.801  ? 119 C 1 c
ATOM 3376 H HB3  . ASN Cxp C 11  ? 28.226 59.887 57.186 1   73.914  ? 119 C 1 c
ATOM 3377 H HB2  . ASN Cxp C 11  ? 27.677 60.753 55.98  1   73.97   ? 119 C 1 c
ATOM 3378 H HD21 . ASN Cxp C 11  ? 27.548 56.838 55.696 1   73.9    ? 119 C 1 c
ATOM 3379 H HD22 . ASN Cxp C 11  ? 28.105 57.489 56.972 1   73.411  ? 119 C 1 c
ATOM 3380 N N    . ILE Cxp C 12  ? 24.518 58.214 57.145 1   79.713  ? 120 C 1 .
ATOM 3381 C CA   . ILE Cxp C 12  ? 23.942 56.941 57.541 1   81.435  ? 120 C 1 .
ATOM 3382 C C    . ILE Cxp C 12  ? 23.525 56.207 56.28  1   84.898  ? 120 C 1 .
ATOM 3383 O O    . ILE Cxp C 12  ? 22.495 56.508 55.687 1   90.064  ? 120 C 1 .
ATOM 3384 C CB   . ILE Cxp C 12  ? 22.803 57.086 58.572 1   81.002  ? 120 C 1 .
ATOM 3385 C CG1  . ILE Cxp C 12  ? 21.724 58.056 58.146 1   71.779  ? 120 C 1 .
ATOM 3386 C CG2  . ILE Cxp C 12  ? 23.389 57.471 59.934 1   95.021  ? 120 C 1 .
ATOM 3387 C CD1  . ILE Cxp C 12  ? 20.876 58.56  59.298 1   72.639  ? 120 C 1 .
ATOM 3388 H H    . ILE Cxp C 12  ? 24.064 58.74  56.551 1   79.213  ? 120 C 1 c
ATOM 3389 H HA   . ILE Cxp C 12  ? 24.645 56.421 57.967 1   81.83   ? 120 C 1 c
ATOM 3390 H HB   . ILE Cxp C 12  ? 22.384 56.208 58.669 1   81.649  ? 120 C 1 c
ATOM 3391 H HG12 . ILE Cxp C 12  ? 21.142 57.611 57.497 1   74.256  ? 120 C 1 c
ATOM 3392 H HG13 . ILE Cxp C 12  ? 22.142 58.821 57.705 1   74.169  ? 120 C 1 c
ATOM 3393 H HG21 . ILE Cxp C 12  ? 22.843 57.086 60.639 1   91.494  ? 120 C 1 c
ATOM 3394 H HG22 . ILE Cxp C 12  ? 23.401 58.436 60.021 1   91.537  ? 120 C 1 c
ATOM 3395 H HG23 . ILE Cxp C 12  ? 24.296 57.13  60.01  1   90.873  ? 120 C 1 c
ATOM 3396 H HD11 . ILE Cxp C 12  ? 20.745 57.848 59.953 1   72.772  ? 120 C 1 c
ATOM 3397 H HD12 . ILE Cxp C 12  ? 20.007 58.843 58.955 1   72.76   ? 120 C 1 c
ATOM 3398 H HD13 . ILE Cxp C 12  ? 21.315 59.319 59.726 1   72.735  ? 120 C 1 c
ATOM 3399 N N    . PRO Cxp C 13  ? 24.364 55.253 55.823 1   89.312  ? 121 C 1 .
ATOM 3400 C CA   . PRO Cxp C 13  ? 24.131 54.569 54.56  1   90.511  ? 121 C 1 .
ATOM 3401 C C    . PRO Cxp C 13  ? 23.051 53.501 54.652 1   87.942  ? 121 C 1 .
ATOM 3402 O O    . PRO Cxp C 13  ? 22.553 53.217 55.739 1   102.266 ? 121 C 1 .
ATOM 3403 C CB   . PRO Cxp C 13  ? 25.498 54.008 54.217 1   83.303  ? 121 C 1 .
ATOM 3404 C CG   . PRO Cxp C 13  ? 26.104 53.765 55.577 1   87.395  ? 121 C 1 .
ATOM 3405 C CD   . PRO Cxp C 13  ? 25.584 54.805 56.507 1   85.286  ? 121 C 1 .
ATOM 3406 H HA   . PRO Cxp C 13  ? 23.876 55.229 53.882 1   88.34   ? 121 C 1 c
ATOM 3407 H HB3  . PRO Cxp C 13  ? 26.018 54.654 53.709 1   86.559  ? 121 C 1 c
ATOM 3408 H HB2  . PRO Cxp C 13  ? 25.425 53.175 53.712 1   85.793  ? 121 C 1 c
ATOM 3409 H HG3  . PRO Cxp C 13  ? 27.079 53.817 55.528 1   85.964  ? 121 C 1 c
ATOM 3410 H HG2  . PRO Cxp C 13  ? 25.862 52.875 55.902 1   85.964  ? 121 C 1 c
ATOM 3411 H HD3  . PRO Cxp C 13  ? 25.375 54.426 57.383 1   86.576  ? 121 C 1 c
ATOM 3412 H HD2  . PRO Cxp C 13  ? 26.216 55.538 56.612 1   86.424  ? 121 C 1 c
ATOM 3413 N N    . PRO Cxp C 14  ? 22.644 52.931 53.5   1   80.61   ? 122 C 1 .
ATOM 3414 C CA   . PRO Cxp C 14  ? 21.663 51.848 53.467 1   102.368 ? 122 C 1 .
ATOM 3415 C C    . PRO Cxp C 14  ? 22.23  50.552 54.049 1   119.851 ? 122 C 1 .
ATOM 3416 O O    . PRO Cxp C 14  ? 23.261 50.604 54.712 1   122.391 ? 122 C 1 .
ATOM 3417 C CB   . PRO Cxp C 14  ? 21.271 51.806 51.997 1   101.25  ? 122 C 1 .
ATOM 3418 C CG   . PRO Cxp C 14  ? 22.518 52.308 51.292 1   84.22   ? 122 C 1 .
ATOM 3419 C CD   . PRO Cxp C 14  ? 23.084 53.358 52.164 1   72.208  ? 122 C 1 .
ATOM 3420 H HA   . PRO Cxp C 14  ? 20.879 52.12  53.983 1   102.07  ? 122 C 1 c
ATOM 3421 H HB3  . PRO Cxp C 14  ? 20.509 52.392 51.82  1   97.525  ? 122 C 1 c
ATOM 3422 H HB2  . PRO Cxp C 14  ? 21.05  50.898 51.714 1   97.748  ? 122 C 1 c
ATOM 3423 H HG3  . PRO Cxp C 14  ? 22.295 52.677 50.414 1   84.683  ? 122 C 1 c
ATOM 3424 H HG2  . PRO Cxp C 14  ? 23.162 51.581 51.171 1   84.683  ? 122 C 1 c
ATOM 3425 H HD3  . PRO Cxp C 14  ? 24.056 53.38  52.103 1   76.896  ? 122 C 1 c
ATOM 3426 H HD2  . PRO Cxp C 14  ? 22.724 54.239 51.944 1   76.759  ? 122 C 1 c
ATOM 3427 N N    . LYS Cxp C 15  ? 21.577 49.396 53.844 1   117.484 ? 123 C 1 .
ATOM 3428 C CA   . LYS Cxp C 15  ? 21.964 48.213 54.61  1   132.822 ? 123 C 1 .
ATOM 3429 C C    . LYS Cxp C 15  ? 21.601 46.916 53.905 1   113.84  ? 123 C 1 .
ATOM 3430 O O    . LYS Cxp C 15  ? 22.316 45.913 54.026 1   70.3    ? 123 C 1 .
ATOM 3431 C CB   . LYS Cxp C 15  ? 21.34  48.182 56.011 1   149.929 ? 123 C 1 .
ATOM 3432 C CG   . LYS Cxp C 15  ? 19.945 48.754 56.109 1   146.98  ? 123 C 1 .
ATOM 3433 C CD   . LYS Cxp C 15  ? 19.885 50.199 55.645 1   179.501 ? 123 C 1 .
ATOM 3434 C CE   . LYS Cxp C 15  ? 20.78  51.139 56.415 1   205.801 ? 123 C 1 .
ATOM 3435 N NZ   . LYS Cxp C 15  ? 20.048 52.183 57.128 1   207.175 ? 123 C 1 .
ATOM 3436 H H    . LYS Cxp C 15  ? 20.924 49.336 53.208 1   122.079 ? 123 C 1 c
ATOM 3437 H HA   . LYS Cxp C 15  ? 22.949 48.229 54.721 1   128.781 ? 123 C 1 c
ATOM 3438 H HB3  . LYS Cxp C 15  ? 21.925 48.675 56.625 1   145.796 ? 123 C 1 c
ATOM 3439 H HB2  . LYS Cxp C 15  ? 21.311 47.25  56.319 1   145.113 ? 123 C 1 c
ATOM 3440 H HG3  . LYS Cxp C 15  ? 19.645 48.7   57.042 1   154.522 ? 123 C 1 c
ATOM 3441 H HG2  . LYS Cxp C 15  ? 19.34  48.211 55.559 1   154.521 ? 123 C 1 c
ATOM 3442 H HD3  . LYS Cxp C 15  ? 18.965 50.498 55.759 1   175.625 ? 123 C 1 c
ATOM 3443 H HD2  . LYS Cxp C 15  ? 20.078 50.256 54.694 1   173.575 ? 123 C 1 c
ATOM 3444 H HE3  . LYS Cxp C 15  ? 21.41  51.566 55.824 1   194.119 ? 123 C 1 c
ATOM 3445 H HE2  . LYS Cxp C 15  ? 21.293 50.635 57.071 1   197.629 ? 123 C 1 c
ATOM 3446 H HZ1  . LYS Cxp C 15  ? 19.48  51.806 57.726 1   206.698 ? 123 C 1 c
ATOM 3447 H HZ2  . LYS Cxp C 15  ? 19.572 52.681 56.539 1   206.526 ? 123 C 1 c
ATOM 3448 H HZ3  . LYS Cxp C 15  ? 20.631 52.719 57.569 1   206.698 ? 123 C 1 c
ATOM 3449 N N    . GLU Cxp C 16  ? 20.453 46.954 53.229 1   151.43  ? 124 C 1 .
ATOM 3450 C CA   . GLU Cxp C 16  ? 19.907 45.798 52.536 1   188.069 ? 124 C 1 .
ATOM 3451 C C    . GLU Cxp C 16  ? 20.404 44.512 53.205 1   165.155 ? 124 C 1 .
ATOM 3452 O O    . GLU Cxp C 16  ? 21.402 43.936 52.783 1   193.13  ? 124 C 1 .
ATOM 3453 C CB   . GLU Cxp C 16  ? 20.245 45.875 51.043 1   195.396 ? 124 C 1 .
ATOM 3454 C CG   . GLU Cxp C 16  ? 19.894 47.213 50.391 1   202.604 ? 124 C 1 .
ATOM 3455 C CD   . GLU Cxp C 16  ? 18.533 47.791 50.754 1   210.34  ? 124 C 1 .
ATOM 3456 O OE1  . GLU Cxp C 16  ? 17.503 47.225 50.338 1   211.722 ? 124 C 1 .
ATOM 3457 O OE2  . GLU Cxp C 16  ? 18.5   48.798 51.488 1   195.607 ? 124 C 1 .
ATOM 3458 H H    . GLU Cxp C 16  ? 19.968 47.727 53.222 1   148.41  ? 124 C 1 c
ATOM 3459 H HA   . GLU Cxp C 16  ? 18.921 45.828 52.626 1   177.031 ? 124 C 1 c
ATOM 3460 H HB3  . GLU Cxp C 16  ? 19.766 45.16  50.575 1   195.309 ? 124 C 1 c
ATOM 3461 H HB2  . GLU Cxp C 16  ? 21.205 45.715 50.928 1   195.304 ? 124 C 1 c
ATOM 3462 H HG3  . GLU Cxp C 16  ? 19.931 47.107 49.417 1   202.672 ? 124 C 1 c
ATOM 3463 H HG2  . GLU Cxp C 16  ? 20.581 47.87  50.635 1   202.635 ? 124 C 1 c
ATOM 3464 N N    . THR Cxp C 17  ? 19.698 44.065 54.255 1   120.156 ? 125 C 1 .
ATOM 3465 C CA   . THR Cxp C 17  ? 20.044 42.838 54.954 1   114.507 ? 125 C 1 .
ATOM 3466 C C    . THR Cxp C 17  ? 20.374 41.759 53.932 1   88.819  ? 125 C 1 .
ATOM 3467 O O    . THR Cxp C 17  ? 19.647 41.586 52.955 1   69.753  ? 125 C 1 .
ATOM 3468 C CB   . THR Cxp C 17  ? 18.911 42.39  55.877 1   146.446 ? 125 C 1 .
ATOM 3469 O OG1  . THR Cxp C 17  ? 17.709 42.548 55.122 1   143.566 ? 125 C 1 .
ATOM 3470 C CG2  . THR Cxp C 17  ? 18.868 43.189 57.17  1   152.548 ? 125 C 1 .
ATOM 3471 H H    . THR Cxp C 17  ? 18.976 44.545 54.544 1   129.062 ? 125 C 1 c
ATOM 3472 H HA   . THR Cxp C 17  ? 20.84  43.012 55.501 1   115.122 ? 125 C 1 c
ATOM 3473 H HB   . THR Cxp C 17  ? 19.029 41.436 56.1   1   140.176 ? 125 C 1 c
ATOM 3474 H HG1  . THR Cxp C 17  ? 17.532 43.346 55.425 0   149.22  ? 125 C 1 c
ATOM 3475 H HG21 . THR Cxp C 17  ? 18.168 42.838 57.745 1   150.654 ? 125 C 1 c
ATOM 3476 H HG22 . THR Cxp C 17  ? 18.683 44.122 56.969 1   150.654 ? 125 C 1 c
ATOM 3477 H HG23 . THR Cxp C 17  ? 19.725 43.12  57.623 1   150.444 ? 125 C 1 c
ATOM 3478 N N    . LEU Cxp C 18  ? 21.467 41.035 54.207 1   75.29   ? 126 C 1 .
ATOM 3479 C CA   . LEU Cxp C 18  ? 22.008 40.062 53.278 1   72.184  ? 126 C 1 .
ATOM 3480 C C    . LEU Cxp C 18  ? 21.013 38.906 53.245 1   72.822  ? 126 C 1 .
ATOM 3481 O O    . LEU Cxp C 18  ? 20.07  38.896 54.015 1   73.936  ? 126 C 1 .
ATOM 3482 C CB   . LEU Cxp C 18  ? 23.41  39.555 53.634 1   80.042  ? 126 C 1 .
ATOM 3483 C CG   . LEU Cxp C 18  ? 24.331 40.424 54.502 1   87.743  ? 126 C 1 .
ATOM 3484 C CD1  . LEU Cxp C 18  ? 25.545 39.588 54.877 1   88.452  ? 126 C 1 .
ATOM 3485 C CD2  . LEU Cxp C 18  ? 24.799 41.728 53.874 1   108.518 ? 126 C 1 .
ATOM 3486 H H    . LEU Cxp C 18  ? 21.875 41.142 55.018 1   78.233  ? 126 C 1 c
ATOM 3487 H HA   . LEU Cxp C 18  ? 22.035 40.477 52.379 1   74.323  ? 126 C 1 c
ATOM 3488 H HB3  . LEU Cxp C 18  ? 23.881 39.367 52.79  1   79.833  ? 126 C 1 c
ATOM 3489 H HB2  . LEU Cxp C 18  ? 23.308 38.684 54.082 1   79.877  ? 126 C 1 c
ATOM 3490 H HG   . LEU Cxp C 18  ? 23.85  40.644 55.341 1   89.727  ? 126 C 1 c
ATOM 3491 H HD11 . LEU Cxp C 18  ? 25.268 38.849 55.444 1   88.228  ? 126 C 1 c
ATOM 3492 H HD12 . LEU Cxp C 18  ? 26.186 40.14  55.356 1   88.421  ? 126 C 1 c
ATOM 3493 H HD13 . LEU Cxp C 18  ? 25.96  39.238 54.07  1   88.274  ? 126 C 1 c
ATOM 3494 H HD21 . LEU Cxp C 18  ? 24.028 42.278 53.654 1   101.883 ? 126 C 1 c
ATOM 3495 H HD22 . LEU Cxp C 18  ? 25.301 41.537 53.064 1   101.883 ? 126 C 1 c
ATOM 3496 H HD23 . LEU Cxp C 18  ? 25.368 42.206 54.502 1   101.808 ? 126 C 1 c
ATOM 3497 N N    . VAL Cxp C 19  ? 21.257 37.916 52.384 1   76.156  ? 127 C 1 .
ATOM 3498 C CA   . VAL Cxp C 19  ? 20.318 36.826 52.171 1   70.746  ? 127 C 1 .
ATOM 3499 C C    . VAL Cxp C 19  ? 21.068 35.661 51.537 1   68.117  ? 127 C 1 .
ATOM 3500 O O    . VAL Cxp C 19  ? 22.003 35.886 50.79  1   77.194  ? 127 C 1 .
ATOM 3501 C CB   . VAL Cxp C 19  ? 19.14  37.248 51.27  1   66.667  ? 127 C 1 .
ATOM 3502 C CG1  . VAL Cxp C 19  ? 18.075 38.058 51.984 1   75.958  ? 127 C 1 .
ATOM 3503 C CG2  . VAL Cxp C 19  ? 19.601 38.059 50.094 1   66.609  ? 127 C 1 .
ATOM 3504 H H    . VAL Cxp C 19  ? 22.036 37.924 51.906 1   74.082  ? 127 C 1 c
ATOM 3505 H HA   . VAL Cxp C 19  ? 19.969 36.542 53.037 1   70.577  ? 127 C 1 c
ATOM 3506 H HB   . VAL Cxp C 19  ? 18.722 36.426 50.924 1   69.071  ? 127 C 1 c
ATOM 3507 H HG11 . VAL Cxp C 19  ? 18.327 38.996 51.991 1   72.993  ? 127 C 1 c
ATOM 3508 H HG12 . VAL Cxp C 19  ? 17.982 37.744 52.897 1   73.053  ? 127 C 1 c
ATOM 3509 H HG13 . VAL Cxp C 19  ? 17.226 37.956 51.521 1   73.056  ? 127 C 1 c
ATOM 3510 H HG21 . VAL Cxp C 19  ? 18.846 38.239 49.509 1   66.713  ? 127 C 1 c
ATOM 3511 H HG22 . VAL Cxp C 19  ? 20.278 37.564 49.602 1   66.72   ? 127 C 1 c
ATOM 3512 H HG23 . VAL Cxp C 19  ? 19.978 38.9   50.402 1   66.748  ? 127 C 1 c
ATOM 3513 N N    . TYR Cxp C 20  ? 20.645 34.432 51.854 1   70.816  ? 128 C 1 .
ATOM 3514 C CA   . TYR Cxp C 20  ? 21.133 33.207 51.234 1   65.069  ? 128 C 1 .
ATOM 3515 C C    . TYR Cxp C 20  ? 19.957 32.548 50.523 1   57.863  ? 128 C 1 .
ATOM 3516 O O    . TYR Cxp C 20  ? 18.797 32.82  50.83  1   54.805  ? 128 C 1 .
ATOM 3517 C CB   . TYR Cxp C 20  ? 21.768 32.25  52.258 1   64.53   ? 128 C 1 .
ATOM 3518 C CG   . TYR Cxp C 20  ? 23.141 32.666 52.77  1   66.587  ? 128 C 1 .
ATOM 3519 C CD1  . TYR Cxp C 20  ? 23.743 33.836 52.336 1   83.087  ? 128 C 1 .
ATOM 3520 C CD2  . TYR Cxp C 20  ? 23.82  31.929 53.717 1   65.953  ? 128 C 1 .
ATOM 3521 C CE1  . TYR Cxp C 20  ? 24.983 34.239 52.801 1   99.219  ? 128 C 1 .
ATOM 3522 C CE2  . TYR Cxp C 20  ? 25.069 32.313 54.184 1   67.616  ? 128 C 1 .
ATOM 3523 C CZ   . TYR Cxp C 20  ? 25.653 33.478 53.737 1   88.454  ? 128 C 1 .
ATOM 3524 O OH   . TYR Cxp C 20  ? 26.865 33.931 54.193 1   104.448 ? 128 C 1 .
ATOM 3525 H H    . TYR Cxp C 20  ? 20.006 34.354 52.502 1   68.857  ? 128 C 1 c
ATOM 3526 H HA   . TYR Cxp C 20  ? 21.815 33.442 50.553 1   64.858  ? 128 C 1 c
ATOM 3527 H HB3  . TYR Cxp C 20  ? 21.843 31.361 51.845 1   65.074  ? 128 C 1 c
ATOM 3528 H HB2  . TYR Cxp C 20  ? 21.158 32.169 53.025 1   65.108  ? 128 C 1 c
ATOM 3529 H HD1  . TYR Cxp C 20  ? 23.305 34.373 51.703 1   81.592  ? 128 C 1 c
ATOM 3530 H HD2  . TYR Cxp C 20  ? 23.443 31.122 54.029 1   66.884  ? 128 C 1 c
ATOM 3531 H HE1  . TYR Cxp C 20  ? 25.364 35.043 52.49  1   92.15   ? 128 C 1 c
ATOM 3532 H HE2  . TYR Cxp C 20  ? 25.518 31.781 54.812 1   71.917  ? 128 C 1 c
ATOM 3533 H HH   . TYR Cxp C 20  ? 27.066 34.447 53.731 0   153.57  ? 128 C 1 c
ATOM 3534 N N    . THR Cxp C 21  ? 20.27  31.636 49.603 1   53.899  ? 129 C 1 .
ATOM 3535 C CA   . THR Cxp C 21  ? 19.232 30.916 48.885 1   58.065  ? 129 C 1 .
ATOM 3536 C C    . THR Cxp C 21  ? 19.413 29.42  49.097 1   53.108  ? 129 C 1 .
ATOM 3537 O O    . THR Cxp C 21  ? 20.395 28.87  48.61  1   58.693  ? 129 C 1 .
ATOM 3538 C CB   . THR Cxp C 21  ? 19.311 31.33  47.418 1   67.496  ? 129 C 1 .
ATOM 3539 O OG1  . THR Cxp C 21  ? 18.616 32.571 47.408 1   68.861  ? 129 C 1 .
ATOM 3540 C CG2  . THR Cxp C 21  ? 18.611 30.389 46.459 1   74.476  ? 129 C 1 .
ATOM 3541 H H    . THR Cxp C 21  ? 21.146 31.458 49.416 1   55.868  ? 129 C 1 c
ATOM 3542 H HA   . THR Cxp C 21  ? 18.359 31.184 49.24  1   57.908  ? 129 C 1 c
ATOM 3543 H HB   . THR Cxp C 21  ? 20.249 31.468 47.144 1   67.053  ? 129 C 1 c
ATOM 3544 H HG1  . THR Cxp C 21  ? 18.484 33.125 47.616 0   91.54   ? 129 C 1 c
ATOM 3545 H HG21 . THR Cxp C 21  ? 18.518 30.818 45.592 1   72.282  ? 129 C 1 c
ATOM 3546 H HG22 . THR Cxp C 21  ? 17.73  30.167 46.805 1   72.116  ? 129 C 1 c
ATOM 3547 H HG23 . THR Cxp C 21  ? 19.134 29.576 46.363 1   72.273  ? 129 C 1 c
ATOM 3548 N N    . LYS Cxp C 22  ? 18.439 28.801 49.8   1   55.363  ? 130 C 1 .
ATOM 3549 C CA   . LYS Cxp C 22  ? 18.465 27.407 50.252 1   54.968  ? 130 C 1 .
ATOM 3550 C C    . LYS Cxp C 22  ? 17.366 26.615 49.547 1   54.498  ? 130 C 1 .
ATOM 3551 O O    . LYS Cxp C 22  ? 16.35  27.177 49.142 1   61.24   ? 130 C 1 .
ATOM 3552 C CB   . LYS Cxp C 22  ? 18.398 27.287 51.781 1   57.185  ? 130 C 1 .
ATOM 3553 C CG   . LYS Cxp C 22  ? 19.813 27.18  52.342 1   75.443  ? 130 C 1 .
ATOM 3554 C CD   . LYS Cxp C 22  ? 20.172 27.476 53.795 1   98.872  ? 130 C 1 .
ATOM 3555 C CE   . LYS Cxp C 22  ? 21.673 27.179 53.982 1   128.124 ? 130 C 1 .
ATOM 3556 N NZ   . LYS Cxp C 22  ? 22.361 27.414 55.272 1   124.735 ? 130 C 1 .
ATOM 3557 H H    . LYS Cxp C 22  ? 17.699 29.294 50.011 1   54.78   ? 130 C 1 c
ATOM 3558 H HA   . LYS Cxp C 22  ? 19.332 27.019 49.97  1   55.579  ? 130 C 1 c
ATOM 3559 H HB3  . LYS Cxp C 22  ? 17.886 26.49  52.035 1   60.357  ? 130 C 1 c
ATOM 3560 H HB2  . LYS Cxp C 22  ? 17.956 28.077 52.161 1   60.384  ? 130 C 1 c
ATOM 3561 H HG3  . LYS Cxp C 22  ? 20.377 27.761 51.787 1   75.318  ? 130 C 1 c
ATOM 3562 H HG2  . LYS Cxp C 22  ? 20.117 26.265 52.153 1   75.745  ? 130 C 1 c
ATOM 3563 H HD3  . LYS Cxp C 22  ? 19.645 26.905 54.395 1   98.513  ? 130 C 1 c
ATOM 3564 H HD2  . LYS Cxp C 22  ? 19.995 28.417 54.001 1   98.306  ? 130 C 1 c
ATOM 3565 H HE3  . LYS Cxp C 22  ? 22.15  27.694 53.307 1   119.246 ? 130 C 1 c
ATOM 3566 H HE2  . LYS Cxp C 22  ? 21.807 26.242 53.753 1   119.496 ? 130 C 1 c
ATOM 3567 H HZ1  . LYS Cxp C 22  ? 23.118 26.917 55.31  1   125.664 ? 130 C 1 c
ATOM 3568 H HZ2  . LYS Cxp C 22  ? 21.816 27.178 55.957 1   125.329 ? 130 C 1 c
ATOM 3569 H HZ3  . LYS Cxp C 22  ? 22.576 28.29  55.35  1   125.664 ? 130 C 1 c
ATOM 3570 N N    . GLN Cxp C 23  ? 17.626 25.329 49.293 1   53.375  ? 131 C 1 .
ATOM 3571 C CA   . GLN Cxp C 23  ? 16.62  24.478 48.682 1   64.882  ? 131 C 1 .
ATOM 3572 C C    . GLN Cxp C 23  ? 16.461 23.193 49.494 1   70.527  ? 131 C 1 .
ATOM 3573 O O    . GLN Cxp C 23  ? 17.441 22.681 50.026 1   76.54   ? 131 C 1 .
ATOM 3574 C CB   . GLN Cxp C 23  ? 16.938 24.205 47.215 1   72.176  ? 131 C 1 .
ATOM 3575 C CG   . GLN Cxp C 23  ? 18.096 23.256 46.934 1   80.323  ? 131 C 1 .
ATOM 3576 C CD   . GLN Cxp C 23  ? 18.204 22.918 45.458 1   78.458  ? 131 C 1 .
ATOM 3577 O OE1  . GLN Cxp C 23  ? 17.216 22.959 44.7   1   68.241  ? 131 C 1 .
ATOM 3578 N NE2  . GLN Cxp C 23  ? 19.416 22.563 45.05  1   74.887  ? 131 C 1 .
ATOM 3579 H H    . GLN Cxp C 23  ? 18.442 24.975 49.505 1   56.041  ? 131 C 1 c
ATOM 3580 H HA   . GLN Cxp C 23  ? 15.756 24.959 48.711 1   64.58   ? 131 C 1 c
ATOM 3581 H HB3  . GLN Cxp C 23  ? 17.147 25.057 46.8   1   72.355  ? 131 C 1 c
ATOM 3582 H HB2  . GLN Cxp C 23  ? 16.132 23.854 46.784 1   72.167  ? 131 C 1 c
ATOM 3583 H HG3  . GLN Cxp C 23  ? 17.972 22.426 47.44  1   77.929  ? 131 C 1 c
ATOM 3584 H HG2  . GLN Cxp C 23  ? 18.935 23.668 47.231 1   77.951  ? 131 C 1 c
ATOM 3585 H HE21 . GLN Cxp C 23  ? 19.73  22.867 44.278 1   75.975  ? 131 C 1 c
ATOM 3586 H HE22 . GLN Cxp C 23  ? 19.911 22.022 45.55  1   75.997  ? 131 C 1 c
ATOM 3587 N N    . THR Cxp C 24  ? 15.227 22.665 49.569 1   68.432  ? 132 C 1 .
ATOM 3588 C CA   . THR Cxp C 24  ? 14.947 21.503 50.403 1   75.256  ? 132 C 1 .
ATOM 3589 C C    . THR Cxp C 24  ? 14.07  20.54  49.619 1   80.606  ? 132 C 1 .
ATOM 3590 O O    . THR Cxp C 24  ? 13.187 20.987 48.877 1   85.227  ? 132 C 1 .
ATOM 3591 C CB   . THR Cxp C 24  ? 14.261 21.851 51.733 1   75.149  ? 132 C 1 .
ATOM 3592 O OG1  . THR Cxp C 24  ? 12.842 21.639 51.657 1   71.758  ? 132 C 1 .
ATOM 3593 C CG2  . THR Cxp C 24  ? 14.634 23.235 52.232 1   68.658  ? 132 C 1 .
ATOM 3594 H H    . THR Cxp C 24  ? 14.546 23.04  49.089 1   70.387  ? 132 C 1 c
ATOM 3595 H HA   . THR Cxp C 24  ? 15.797 21.056 50.604 1   74.804  ? 132 C 1 c
ATOM 3596 H HB   . THR Cxp C 24  ? 14.618 21.224 52.406 1   73.239  ? 132 C 1 c
ATOM 3597 H HG1  . THR Cxp C 24  ? 12.839 22.307 51.142 0   25.15   ? 132 C 1 c
ATOM 3598 H HG21 . THR Cxp C 24  ? 14.308 23.351 53.14  1   70.496  ? 132 C 1 c
ATOM 3599 H HG22 . THR Cxp C 24  ? 14.235 23.91  51.659 1   70.425  ? 132 C 1 c
ATOM 3600 H HG23 . THR Cxp C 24  ? 15.601 23.334 52.222 1   70.495  ? 132 C 1 c
ATOM 3601 N N    . GLN Cxp C 25  ? 14.304 19.235 49.848 1   74.852  ? 133 C 1 .
ATOM 3602 C CA   . GLN Cxp C 25  ? 13.376 18.208 49.393 1   81.573  ? 133 C 1 .
ATOM 3603 C C    . GLN Cxp C 25  ? 13.041 17.239 50.508 1   78.348  ? 133 C 1 .
ATOM 3604 O O    . GLN Cxp C 25  ? 13.769 17.128 51.498 1   94.761  ? 133 C 1 .
ATOM 3605 C CB   . GLN Cxp C 25  ? 13.783 17.347 48.196 1   75.85   ? 133 C 1 .
ATOM 3606 C CG   . GLN Cxp C 25  ? 12.996 17.667 46.931 1   70.083  ? 133 C 1 .
ATOM 3607 C CD   . GLN Cxp C 25  ? 11.989 16.634 46.499 1   73.115  ? 133 C 1 .
ATOM 3608 O OE1  . GLN Cxp C 25  ? 12.104 16.128 45.384 1   100.551 ? 133 C 1 .
ATOM 3609 N NE2  . GLN Cxp C 25  ? 10.96  16.354 47.284 1   67.033  ? 133 C 1 .
ATOM 3610 H H    . GLN Cxp C 25  ? 15.059 18.981 50.296 1   77.63   ? 133 C 1 c
ATOM 3611 H HA   . GLN Cxp C 25  ? 12.532 18.663 49.146 1   78.383  ? 133 C 1 c
ATOM 3612 H HB3  . GLN Cxp C 25  ? 13.657 16.401 48.419 1   75.685  ? 133 C 1 c
ATOM 3613 H HB2  . GLN Cxp C 25  ? 14.736 17.485 48.021 1   75.8    ? 133 C 1 c
ATOM 3614 H HG3  . GLN Cxp C 25  ? 13.622 17.779 46.194 1   72.262  ? 133 C 1 c
ATOM 3615 H HG2  . GLN Cxp C 25  ? 12.523 18.517 47.053 1   72.203  ? 133 C 1 c
ATOM 3616 H HE21 . GLN Cxp C 25  ? 10.837 15.524 47.573 1   68.873  ? 133 C 1 c
ATOM 3617 H HE22 . GLN Cxp C 25  ? 10.391 16.996 47.513 1   68.873  ? 133 C 1 c
ATOM 3618 N N    . THR Cxp C 26  ? 11.926 16.537 50.303 1   65.365  ? 134 C 1 .
ATOM 3619 C CA   . THR Cxp C 26  ? 11.417 15.683 51.356 1   78.66   ? 134 C 1 .
ATOM 3620 C C    . THR Cxp C 26  ? 11.666 14.243 50.949 1   82.529  ? 134 C 1 .
ATOM 3621 O O    . THR Cxp C 26  ? 11.681 13.931 49.763 1   89.11   ? 134 C 1 .
ATOM 3622 C CB   . THR Cxp C 26  ? 9.944  15.959 51.667 1   80      ? 134 C 1 .
ATOM 3623 O OG1  . THR Cxp C 26  ? 9.178  15.733 50.501 1   69.741  ? 134 C 1 .
ATOM 3624 C CG2  . THR Cxp C 26  ? 9.674  17.399 52.06  1   87.329  ? 134 C 1 .
ATOM 3625 H H    . THR Cxp C 26  ? 11.47  16.6   49.515 1   71.228  ? 134 C 1 c
ATOM 3626 H HA   . THR Cxp C 26  ? 11.933 15.865 52.171 1   77.001  ? 134 C 1 c
ATOM 3627 H HB   . THR Cxp C 26  ? 9.637  15.356 52.385 1   78.866  ? 134 C 1 c
ATOM 3628 H HG1  . THR Cxp C 26  ? 9.522  16.376 49.852 0   39.63   ? 134 C 1 c
ATOM 3629 H HG21 . THR Cxp C 26  ? 8.748  17.621 51.873 1   84.661  ? 134 C 1 c
ATOM 3630 H HG22 . THR Cxp C 26  ? 10.257 17.99  51.556 1   84.564  ? 134 C 1 c
ATOM 3631 H HG23 . THR Cxp C 26  ? 9.846  17.512 53.009 1   84.735  ? 134 C 1 c
ATOM 3632 N N    . THR Cxp C 27  ? 11.895 13.407 51.967 1   85.74   ? 135 C 1 .
ATOM 3633 C CA   . THR Cxp C 27  ? 12.16  11.993 51.79  1   83.33   ? 135 C 1 .
ATOM 3634 C C    . THR Cxp C 27  ? 10.836 11.274 51.628 1   91.688  ? 135 C 1 .
ATOM 3635 O O    . THR Cxp C 27  ? 10.12  11.552 50.614 1   85.097  ? 135 C 1 .
ATOM 3636 C CB   . THR Cxp C 27  ? 12.97  11.488 52.991 1   81.205  ? 135 C 1 .
ATOM 3637 O OG1  . THR Cxp C 27  ? 12.834 12.373 54.097 1   78.075  ? 135 C 1 .
ATOM 3638 C CG2  . THR Cxp C 27  ? 14.468 11.544 52.776 1   83.583  ? 135 C 1 .
ATOM 3639 O OXT  . THR Cxp C 27  ? 10.543 10.461 52.525 1   107.171 ? 135 C 1 .
ATOM 3640 H H    . THR Cxp C 27  ? 11.881 13.74  52.818 1   84.286  ? 135 C 1 c
ATOM 3641 H HA   . THR Cxp C 27  ? 12.693 11.87  50.974 1   84.887  ? 135 C 1 c
ATOM 3642 H HB   . THR Cxp C 27  ? 12.703 10.575 53.254 1   81.587  ? 135 C 1 c
ATOM 3643 H HG1  . THR Cxp C 27  ? 13.179 12.976 53.884 0   60.19   ? 135 C 1 c
ATOM 3644 H HG21 . THR Cxp C 27  ? 14.923 11.233 53.577 1   82.831  ? 135 C 1 c
ATOM 3645 H HG22 . THR Cxp C 27  ? 14.736 12.459 52.586 1   82.831  ? 135 C 1 c
ATOM 3646 H HG23 . THR Cxp C 27  ? 14.71  10.975 52.027 1   82.856  ? 135 C 1 c
ATOM 3647 N N    . ASN Dxp D 1   ? 14.602 93.531 70.612 1   122.712 ? 109 D 1 .
ATOM 3648 C CA   . ASN Dxp D 1   ? 15.214 93.662 69.258 1   141.349 ? 109 D 1 .
ATOM 3649 C C    . ASN Dxp D 1   ? 14.718 92.511 68.367 1   161.614 ? 109 D 1 .
ATOM 3650 O O    . ASN Dxp D 1   ? 14.254 92.728 67.243 1   124.277 ? 109 D 1 .
ATOM 3651 C CB   . ASN Dxp D 1   ? 16.748 93.729 69.296 1   139.823 ? 109 D 1 .
ATOM 3652 C CG   . ASN Dxp D 1   ? 17.354 94.291 70.568 1   127.365 ? 109 D 1 .
ATOM 3653 O OD1  . ASN Dxp D 1   ? 17.063 95.422 70.964 1   131.029 ? 109 D 1 .
ATOM 3654 N ND2  . ASN Dxp D 1   ? 18.228 93.536 71.217 1   112.897 ? 109 D 1 .
ATOM 3655 H H    . ASN Dxp D 1   ? 14.587 94.334 71.022 1   128.3   ? 109 D 1 c
ATOM 3656 H H2   . ASN Dxp D 1   ? 15.073 92.952 71.119 1   128.591 ? 109 D 1 c
ATOM 3657 H H3   . ASN Dxp D 1   ? 13.754 93.23  70.541 1   128.445 ? 109 D 1 c
ATOM 3658 H HA   . ASN Dxp D 1   ? 14.896 94.507 68.866 1   140.714 ? 109 D 1 c
ATOM 3659 H HB3  . ASN Dxp D 1   ? 17.053 94.272 68.542 1   137.356 ? 109 D 1 c
ATOM 3660 H HB2  . ASN Dxp D 1   ? 17.096 92.832 69.167 1   138.071 ? 109 D 1 c
ATOM 3661 H HD21 . ASN Dxp D 1   ? 18.176 93.456 72.098 1   117.167 ? 109 D 1 c
ATOM 3662 H HD22 . ASN Dxp D 1   ? 18.864 93.111 70.768 1   117.167 ? 109 D 1 c
ATOM 3663 N N    . LEU Dxp D 2   ? 14.803 91.273 68.88  1   187.911 ? 110 D 1 .
ATOM 3664 C CA   . LEU Dxp D 2   ? 14.59  90.083 68.068 1   175.377 ? 110 D 1 .
ATOM 3665 C C    . LEU Dxp D 2   ? 13.611 89.139 68.748 1   153.776 ? 110 D 1 .
ATOM 3666 O O    . LEU Dxp D 2   ? 13.521 89.083 69.971 1   144.469 ? 110 D 1 .
ATOM 3667 C CB   . LEU Dxp D 2   ? 15.894 89.337 67.804 1   176.269 ? 110 D 1 .
ATOM 3668 C CG   . LEU Dxp D 2   ? 17.045 90.17  67.241 1   189.776 ? 110 D 1 .
ATOM 3669 C CD1  . LEU Dxp D 2   ? 17.838 90.82  68.348 1   178.444 ? 110 D 1 .
ATOM 3670 C CD2  . LEU Dxp D 2   ? 17.96  89.311 66.393 1   202.957 ? 110 D 1 .
ATOM 3671 H H    . LEU Dxp D 2   ? 15.003 91.167 69.765 1   177.272 ? 110 D 1 c
ATOM 3672 H HA   . LEU Dxp D 2   ? 14.2   90.363 67.201 1   172.768 ? 110 D 1 c
ATOM 3673 H HB3  . LEU Dxp D 2   ? 15.703 88.603 67.176 1   179.267 ? 110 D 1 c
ATOM 3674 H HB2  . LEU Dxp D 2   ? 16.19  88.929 68.65  1   178.953 ? 110 D 1 c
ATOM 3675 H HG   . LEU Dxp D 2   ? 16.664 90.885 66.671 1   186.986 ? 110 D 1 c
ATOM 3676 H HD11 . LEU Dxp D 2   ? 17.271 90.948 69.125 1   180.897 ? 110 D 1 c
ATOM 3677 H HD12 . LEU Dxp D 2   ? 18.175 91.678 68.043 1   180.916 ? 110 D 1 c
ATOM 3678 H HD13 . LEU Dxp D 2   ? 18.587 90.249 68.59  1   181.645 ? 110 D 1 c
ATOM 3679 H HD21 . LEU Dxp D 2   ? 17.435 88.803 65.759 1   196.194 ? 110 D 1 c
ATOM 3680 H HD22 . LEU Dxp D 2   ? 18.452 88.699 66.965 1   197.239 ? 110 D 1 c
ATOM 3681 H HD23 . LEU Dxp D 2   ? 18.587 89.878 65.913 1   197.683 ? 110 D 1 c
ATOM 3682 N N    . SER Dxp D 3   ? 12.931 88.356 67.912 1   138.381 ? 111 D 1 .
ATOM 3683 C CA   . SER Dxp D 3   ? 11.973 87.37  68.372 1   147.564 ? 111 D 1 .
ATOM 3684 C C    . SER Dxp D 3   ? 11.958 86.211 67.381 1   149.475 ? 111 D 1 .
ATOM 3685 O O    . SER Dxp D 3   ? 12.693 86.234 66.396 1   146.715 ? 111 D 1 .
ATOM 3686 C CB   . SER Dxp D 3   ? 10.612 87.995 68.537 1   164.006 ? 111 D 1 .
ATOM 3687 O OG   . SER Dxp D 3   ? 10.17  88.585 67.321 1   183.254 ? 111 D 1 .
ATOM 3688 H H    . SER Dxp D 3   ? 13.071 88.44  67.013 1   144.442 ? 111 D 1 c
ATOM 3689 H HA   . SER Dxp D 3   ? 12.271 87.025 69.251 1   148.972 ? 111 D 1 c
ATOM 3690 H HB3  . SER Dxp D 3   ? 10.654 88.678 69.232 1   164.354 ? 111 D 1 c
ATOM 3691 H HB2  . SER Dxp D 3   ? 9.973  87.314 68.819 1   164.151 ? 111 D 1 c
ATOM 3692 H HG   . SER Dxp D 3   ? 9.33   88.978 67.508 0   187.11  ? 111 D 1 c
ATOM 3693 N N    . VAL Dxp D 4   ? 11.12  85.204 67.654 1   146.646 ? 112 D 1 .
ATOM 3694 C CA   . VAL Dxp D 4   ? 11.008 84.031 66.799 1   133.493 ? 112 D 1 .
ATOM 3695 C C    . VAL Dxp D 4   ? 10.634 84.475 65.381 1   137.5   ? 112 D 1 .
ATOM 3696 O O    . VAL Dxp D 4   ? 10.331 85.644 65.113 1   124.073 ? 112 D 1 .
ATOM 3697 C CB   . VAL Dxp D 4   ? 9.993  83.017 67.372 1   115.768 ? 112 D 1 .
ATOM 3698 C CG1  . VAL Dxp D 4   ? 10.022 81.677 66.655 1   106.969 ? 112 D 1 .
ATOM 3699 C CG2  . VAL Dxp D 4   ? 10.196 82.776 68.865 1   116.751 ? 112 D 1 .
ATOM 3700 H H    . VAL Dxp D 4   ? 10.598 85.253 68.402 1   143.858 ? 112 D 1 c
ATOM 3701 H HA   . VAL Dxp D 4   ? 11.883 83.6   66.763 1   133.172 ? 112 D 1 c
ATOM 3702 H HB   . VAL Dxp D 4   ? 9.094  83.404 67.249 1   117.391 ? 112 D 1 c
ATOM 3703 H HG11 . VAL Dxp D 4   ? 10.942 81.434 66.457 1   109.947 ? 112 D 1 c
ATOM 3704 H HG12 . VAL Dxp D 4   ? 9.518  81.74  65.827 1   109.945 ? 112 D 1 c
ATOM 3705 H HG13 . VAL Dxp D 4   ? 9.624  80.993 67.219 1   109.757 ? 112 D 1 c
ATOM 3706 H HG21 . VAL Dxp D 4   ? 9.898  81.88  69.098 1   116.436 ? 112 D 1 c
ATOM 3707 H HG22 . VAL Dxp D 4   ? 9.681  83.426 69.371 1   116.674 ? 112 D 1 c
ATOM 3708 H HG23 . VAL Dxp D 4   ? 11.138 82.869 69.084 1   116.708 ? 112 D 1 c
ATOM 3709 N N    . TYR Dxp D 5   ? 10.721 83.529 64.447 1   136.615 ? 113 D 1 .
ATOM 3710 C CA   . TYR Dxp D 5   ? 10.214 83.748 63.106 1   151.68  ? 113 D 1 .
ATOM 3711 C C    . TYR Dxp D 5   ? 10.001 82.401 62.421 1   159.76  ? 113 D 1 .
ATOM 3712 O O    . TYR Dxp D 5   ? 10.444 81.367 62.921 1   144.86  ? 113 D 1 .
ATOM 3713 C CB   . TYR Dxp D 5   ? 11.18  84.671 62.365 1   171.144 ? 113 D 1 .
ATOM 3714 C CG   . TYR Dxp D 5   ? 10.522 85.41  61.211 1   197.112 ? 113 D 1 .
ATOM 3715 C CD1  . TYR Dxp D 5   ? 9.661  86.474 61.453 1   173.949 ? 113 D 1 .
ATOM 3716 C CD2  . TYR Dxp D 5   ? 10.753 85.037 59.89  1   210.577 ? 113 D 1 .
ATOM 3717 C CE1  . TYR Dxp D 5   ? 9.058  87.157 60.412 1   171.589 ? 113 D 1 .
ATOM 3718 C CE2  . TYR Dxp D 5   ? 10.158 85.715 58.84  1   197.535 ? 113 D 1 .
ATOM 3719 C CZ   . TYR Dxp D 5   ? 9.31   86.778 59.105 1   186.846 ? 113 D 1 .
ATOM 3720 O OH   . TYR Dxp D 5   ? 8.706  87.461 58.092 1   198.983 ? 113 D 1 .
ATOM 3721 H H    . TYR Dxp D 5   ? 11.143 82.741 64.636 1   139.36  ? 113 D 1 c
ATOM 3722 H HA   . TYR Dxp D 5   ? 9.334  84.205 63.176 1   153.397 ? 113 D 1 c
ATOM 3723 H HB3  . TYR Dxp D 5   ? 11.925 84.132 62.016 1   171.677 ? 113 D 1 c
ATOM 3724 H HB2  . TYR Dxp D 5   ? 11.548 85.326 62.996 1   171.18  ? 113 D 1 c
ATOM 3725 H HD1  . TYR Dxp D 5   ? 9.489  86.739 62.343 1   178.361 ? 113 D 1 c
ATOM 3726 H HD2  . TYR Dxp D 5   ? 11.337 84.318 59.706 1   203.336 ? 113 D 1 c
ATOM 3727 H HE1  . TYR Dxp D 5   ? 8.48   87.879 60.59  1   176.096 ? 113 D 1 c
ATOM 3728 H HE2  . TYR Dxp D 5   ? 10.328 85.456 57.95  1   197.608 ? 113 D 1 c
ATOM 3729 H HH   . TYR Dxp D 5   ? 7.908  87.732 58.489 0   237.15  ? 113 D 1 c
ATOM 3730 N N    . ASN Dxp D 6   ? 9.37   82.448 61.238 1   175.227 ? 114 D 1 .
ATOM 3731 C CA   . ASN Dxp D 6   ? 8.526  81.366 60.753 1   177.036 ? 114 D 1 .
ATOM 3732 C C    . ASN Dxp D 6   ? 9.286  80.05  60.601 1   173.225 ? 114 D 1 .
ATOM 3733 O O    . ASN Dxp D 6   ? 10.451 80.014 60.206 1   185.954 ? 114 D 1 .
ATOM 3734 C CB   . ASN Dxp D 6   ? 7.841  81.735 59.44  1   181.002 ? 114 D 1 .
ATOM 3735 C CG   . ASN Dxp D 6   ? 6.83   80.695 59.012 1   188.25  ? 114 D 1 .
ATOM 3736 O OD1  . ASN Dxp D 6   ? 6.078  80.172 59.843 1   199.067 ? 114 D 1 .
ATOM 3737 N ND2  . ASN Dxp D 6   ? 6.809  80.361 57.731 1   183.606 ? 114 D 1 .
ATOM 3738 H H    . ASN Dxp D 6   ? 9.467  83.187 60.713 1   172.148 ? 114 D 1 c
ATOM 3739 H HA   . ASN Dxp D 6   ? 7.815  81.229 61.419 1   176.69  ? 114 D 1 c
ATOM 3740 H HB3  . ASN Dxp D 6   ? 8.518  81.83  58.74  1   181.738 ? 114 D 1 c
ATOM 3741 H HB2  . ASN Dxp D 6   ? 7.39   82.596 59.544 1   181.729 ? 114 D 1 c
ATOM 3742 H HD21 . ASN Dxp D 6   ? 6.654  79.52  57.495 1   185.024 ? 114 D 1 c
ATOM 3743 H HD22 . ASN Dxp D 6   ? 6.951  80.979 57.11  1   185.024 ? 114 D 1 c
ATOM 3744 N N    . VAL Dxp D 7   ? 8.571  78.96  60.888 1   162.845 ? 115 D 1 .
ATOM 3745 C CA   . VAL Dxp D 7   ? 9.054  77.619 60.613 1   184.534 ? 115 D 1 .
ATOM 3746 C C    . VAL Dxp D 7   ? 9.266  77.494 59.103 1   172.016 ? 115 D 1 .
ATOM 3747 O O    . VAL Dxp D 7   ? 8.746  78.298 58.339 1   184.478 ? 115 D 1 .
ATOM 3748 C CB   . VAL Dxp D 7   ? 8.051  76.567 61.136 1   207.725 ? 115 D 1 .
ATOM 3749 C CG1  . VAL Dxp D 7   ? 8.666  75.17  61.202 1   200.157 ? 115 D 1 .
ATOM 3750 C CG2  . VAL Dxp D 7   ? 7.45   76.951 62.491 1   200.363 ? 115 D 1 .
ATOM 3751 H H    . VAL Dxp D 7   ? 7.739  79.061 61.252 1   171.065 ? 115 D 1 c
ATOM 3752 H HA   . VAL Dxp D 7   ? 9.909  77.495 61.067 1   181.354 ? 115 D 1 c
ATOM 3753 H HB   . VAL Dxp D 7   ? 7.309  76.531 60.487 1   200.3   ? 115 D 1 c
ATOM 3754 H HG11 . VAL Dxp D 7   ? 9.481  75.201 61.729 1   201.849 ? 115 D 1 c
ATOM 3755 H HG12 . VAL Dxp D 7   ? 8.871  74.862 60.304 1   201.62  ? 115 D 1 c
ATOM 3756 H HG13 . VAL Dxp D 7   ? 8.036  74.557 61.616 1   202.114 ? 115 D 1 c
ATOM 3757 H HG21 . VAL Dxp D 7   ? 7.368  76.159 63.049 1   202.237 ? 115 D 1 c
ATOM 3758 H HG22 . VAL Dxp D 7   ? 6.57   77.34  62.356 1   202.069 ? 115 D 1 c
ATOM 3759 H HG23 . VAL Dxp D 7   ? 8.023  77.597 62.934 1   201.664 ? 115 D 1 c
ATOM 3760 N N    . GLN Dxp D 8   ? 10.045 76.498 58.667 1   167.583 ? 116 D 1 .
ATOM 3761 C CA   . GLN Dxp D 8   ? 10.093 76.123 57.256 1   156.574 ? 116 D 1 .
ATOM 3762 C C    . GLN Dxp D 8   ? 10.048 74.597 57.159 1   143.323 ? 116 D 1 .
ATOM 3763 O O    . GLN Dxp D 8   ? 11.077 73.931 57.051 1   151.631 ? 116 D 1 .
ATOM 3764 C CB   . GLN Dxp D 8   ? 11.299 76.687 56.493 1   149.565 ? 116 D 1 .
ATOM 3765 C CG   . GLN Dxp D 8   ? 11.32  78.206 56.309 1   134.836 ? 116 D 1 .
ATOM 3766 C CD   . GLN Dxp D 8   ? 12.069 78.656 55.067 1   149.83  ? 116 D 1 .
ATOM 3767 O OE1  . GLN Dxp D 8   ? 11.589 78.537 53.932 1   165.503 ? 116 D 1 .
ATOM 3768 N NE2  . GLN Dxp D 8   ? 13.259 79.202 55.264 1   139.031 ? 116 D 1 .
ATOM 3769 H H    . GLN Dxp D 8   ? 10.57  76.044 59.262 1   166.459 ? 116 D 1 c
ATOM 3770 H HA   . GLN Dxp D 8   ? 9.278  76.478 56.818 1   154.901 ? 116 D 1 c
ATOM 3771 H HB3  . GLN Dxp D 8   ? 11.326 76.265 55.609 1   147.598 ? 116 D 1 c
ATOM 3772 H HB2  . GLN Dxp D 8   ? 12.113 76.42  56.969 1   147.621 ? 116 D 1 c
ATOM 3773 H HG3  . GLN Dxp D 8   ? 11.737 78.62  57.095 1   141.438 ? 116 D 1 c
ATOM 3774 H HG2  . GLN Dxp D 8   ? 10.398 78.536 56.254 1   141.607 ? 116 D 1 c
ATOM 3775 H HE21 . GLN Dxp D 8   ? 13.519 79.889 54.765 1   142.255 ? 116 D 1 c
ATOM 3776 H HE22 . GLN Dxp D 8   ? 13.795 78.881 55.893 1   142.211 ? 116 D 1 c
ATOM 3777 N N    . ALA Dxp D 9   ? 8.832  74.045 57.196 1   131.342 ? 117 D 1 .
ATOM 3778 C CA   . ALA Dxp D 9   ? 8.643  72.612 57.339 1   133.775 ? 117 D 1 .
ATOM 3779 C C    . ALA Dxp D 9   ? 8.3    71.987 55.988 1   141.275 ? 117 D 1 .
ATOM 3780 O O    . ALA Dxp D 9   ? 7.53   72.527 55.192 1   159.014 ? 117 D 1 .
ATOM 3781 C CB   . ALA Dxp D 9   ? 7.577  72.316 58.376 1   133.175 ? 117 D 1 .
ATOM 3782 H H    . ALA Dxp D 9   ? 8.095  74.581 57.13  1   134.958 ? 117 D 1 c
ATOM 3783 H HA   . ALA Dxp D 9   ? 9.503  72.218 57.651 1   134.765 ? 117 D 1 c
ATOM 3784 H HB3  . ALA Dxp D 9   ? 7.471  71.355 58.47  1   133.352 ? 117 D 1 c
ATOM 3785 H HB2  . ALA Dxp D 9   ? 6.732  72.707 58.097 1   133.352 ? 117 D 1 c
ATOM 3786 H HB1  . ALA Dxp D 9   ? 7.84   72.696 59.231 1   133.352 ? 117 D 1 c
ATOM 3787 N N    . THR Dxp D 10  ? 8.925  70.834 55.749 1   143.022 ? 118 D 1 .
ATOM 3788 C CA   . THR Dxp D 10  ? 8.711  70.025 54.561 1   136.965 ? 118 D 1 .
ATOM 3789 C C    . THR Dxp D 10  ? 8.844  68.558 54.981 1   124.065 ? 118 D 1 .
ATOM 3790 O O    . THR Dxp D 10  ? 9.778  68.196 55.695 1   99.766  ? 118 D 1 .
ATOM 3791 C CB   . THR Dxp D 10  ? 9.713  70.414 53.462 1   140.761 ? 118 D 1 .
ATOM 3792 O OG1  . THR Dxp D 10  ? 11.009 69.944 53.832 1   125.881 ? 118 D 1 .
ATOM 3793 C CG2  . THR Dxp D 10  ? 9.77   71.91  53.175 1   129.691 ? 118 D 1 .
ATOM 3794 H H    . THR Dxp D 10  ? 9.513  70.525 56.376 1   140.802 ? 118 D 1 c
ATOM 3795 H HA   . THR Dxp D 10  ? 7.8    70.183 54.23  1   136.329 ? 118 D 1 c
ATOM 3796 H HB   . THR Dxp D 10  ? 9.441  69.954 52.633 1   135.432 ? 118 D 1 c
ATOM 3797 H HG1  . THR Dxp D 10  ? 11.202 70.623 54.262 0   150.46  ? 118 D 1 c
ATOM 3798 H HG21 . THR Dxp D 10  ? 10.472 72.09  52.53  1   132.968 ? 118 D 1 c
ATOM 3799 H HG22 . THR Dxp D 10  ? 9.961  72.393 53.995 1   133.096 ? 118 D 1 c
ATOM 3800 H HG23 . THR Dxp D 10  ? 8.917  72.206 52.815 1   132.923 ? 118 D 1 c
ATOM 3801 N N    . ASN Dxp D 11  ? 7.893  67.708 54.568 1   125.149 ? 119 D 1 .
ATOM 3802 C CA   . ASN Dxp D 11  ? 7.956  66.289 54.898 1   126.209 ? 119 D 1 .
ATOM 3803 C C    . ASN Dxp D 11  ? 7.5    65.427 53.711 1   129.16  ? 119 D 1 .
ATOM 3804 O O    . ASN Dxp D 11  ? 6.533  65.752 53.015 1   114.41  ? 119 D 1 .
ATOM 3805 C CB   . ASN Dxp D 11  ? 7.179  65.976 56.174 1   119.005 ? 119 D 1 .
ATOM 3806 C CG   . ASN Dxp D 11  ? 5.689  65.988 55.947 1   129.19  ? 119 D 1 .
ATOM 3807 O OD1  . ASN Dxp D 11  ? 5.152  66.968 55.422 1   149.295 ? 119 D 1 .
ATOM 3808 N ND2  . ASN Dxp D 11  ? 5.021  64.89  56.261 1   138.933 ? 119 D 1 .
ATOM 3809 H H    . ASN Dxp D 11  ? 7.191  68.017 54.07  1   125.315 ? 119 D 1 c
ATOM 3810 H HA   . ASN Dxp D 11  ? 8.898  66.068 55.077 1   124.824 ? 119 D 1 c
ATOM 3811 H HB3  . ASN Dxp D 11  ? 7.405  66.637 56.859 1   122.898 ? 119 D 1 c
ATOM 3812 H HB2  . ASN Dxp D 11  ? 7.447  65.097 56.5   1   122.888 ? 119 D 1 c
ATOM 3813 H HD21 . ASN Dxp D 11  ? 4.18   64.949 56.534 1   135.178 ? 119 D 1 c
ATOM 3814 H HD22 . ASN Dxp D 11  ? 5.408  64.098 56.181 1   135.007 ? 119 D 1 c
ATOM 3815 N N    . ILE Dxp D 12  ? 8.206  64.3   53.507 1   116.806 ? 120 D 1 .
ATOM 3816 C CA   . ILE Dxp D 12  ? 7.815  63.308 52.519 1   110.108 ? 120 D 1 .
ATOM 3817 C C    . ILE Dxp D 12  ? 7.253  62.099 53.254 1   117.938 ? 120 D 1 .
ATOM 3818 O O    . ILE Dxp D 12  ? 7.999  61.291 53.812 1   96.41   ? 120 D 1 .
ATOM 3819 C CB   . ILE Dxp D 12  ? 8.937  62.931 51.536 1   108.823 ? 120 D 1 .
ATOM 3820 C CG1  . ILE Dxp D 12  ? 10.286 63.517 51.957 1   100.173 ? 120 D 1 .
ATOM 3821 C CG2  . ILE Dxp D 12  ? 8.544  63.343 50.11  1   115.715 ? 120 D 1 .
ATOM 3822 C CD1  . ILE Dxp D 12  ? 11.381 63.412 50.904 1   97.084  ? 120 D 1 .
ATOM 3823 H H    . ILE Dxp D 12  ? 8.939  64.135 54.028 1   117.751 ? 120 D 1 c
ATOM 3824 H HA   . ILE Dxp D 12  ? 7.095  63.694 51.99  1   113.499 ? 120 D 1 c
ATOM 3825 H HB   . ILE Dxp D 12  ? 9.026  61.957 51.547 1   108.596 ? 120 D 1 c
ATOM 3826 H HG12 . ILE Dxp D 12  ? 10.585 63.058 52.766 1   101.506 ? 120 D 1 c
ATOM 3827 H HG13 . ILE Dxp D 12  ? 10.162 64.463 52.177 1   101.572 ? 120 D 1 c
ATOM 3828 H HG21 . ILE Dxp D 12  ? 9.121  62.894 49.469 1   113.447 ? 120 D 1 c
ATOM 3829 H HG22 . ILE Dxp D 12  ? 8.64   64.305 50.011 1   113.602 ? 120 D 1 c
ATOM 3830 H HG23 . ILE Dxp D 12  ? 7.621  63.092 49.939 1   113.586 ? 120 D 1 c
ATOM 3831 H HD11 . ILE Dxp D 12  ? 11.29  62.566 50.426 1   98.361  ? 120 D 1 c
ATOM 3832 H HD12 . ILE Dxp D 12  ? 12.255 63.447 51.336 1   98.086  ? 120 D 1 c
ATOM 3833 H HD13 . ILE Dxp D 12  ? 11.301 64.151 50.272 1   98.144  ? 120 D 1 c
ATOM 3834 N N    . PRO Dxp D 13  ? 5.902  62.004 53.292 1   141.496 ? 121 D 1 .
ATOM 3835 C CA   . PRO Dxp D 13  ? 5.195  60.865 53.863 1   143.544 ? 121 D 1 .
ATOM 3836 C C    . PRO Dxp D 13  ? 5.647  59.523 53.305 1   140.753 ? 121 D 1 .
ATOM 3837 O O    . PRO Dxp D 13  ? 5.884  59.441 52.104 1   131.045 ? 121 D 1 .
ATOM 3838 C CB   . PRO Dxp D 13  ? 3.741  61.13  53.488 1   153.516 ? 121 D 1 .
ATOM 3839 C CG   . PRO Dxp D 13  ? 3.677  62.638 53.402 1   157.186 ? 121 D 1 .
ATOM 3840 C CD   . PRO Dxp D 13  ? 4.98   63.048 52.812 1   153.128 ? 121 D 1 .
ATOM 3841 H HA   . PRO Dxp D 13  ? 5.293  60.878 54.834 1   144.285 ? 121 D 1 c
ATOM 3842 H HB3  . PRO Dxp D 13  ? 3.134  60.79  54.174 1   152.149 ? 121 D 1 c
ATOM 3843 H HB2  . PRO Dxp D 13  ? 3.518  60.72  52.629 1   151.99  ? 121 D 1 c
ATOM 3844 H HG3  . PRO Dxp D 13  ? 3.562  63.033 54.29  1   155.412 ? 121 D 1 c
ATOM 3845 H HG2  . PRO Dxp D 13  ? 2.936  62.923 52.831 1   155.412 ? 121 D 1 c
ATOM 3846 H HD3  . PRO Dxp D 13  ? 4.942  63.059 51.835 1   150.74  ? 121 D 1 c
ATOM 3847 H HD2  . PRO Dxp D 13  ? 5.247  63.924 53.136 1   150.207 ? 121 D 1 c
ATOM 3848 N N    . PRO Dxp D 14  ? 5.808  58.496 54.183 1   143.485 ? 122 D 1 .
ATOM 3849 C CA   . PRO Dxp D 14  ? 6.099  57.106 53.804 1   136.316 ? 122 D 1 .
ATOM 3850 C C    . PRO Dxp D 14  ? 5.22   56.513 52.706 1   133.738 ? 122 D 1 .
ATOM 3851 O O    . PRO Dxp D 14  ? 4.555  57.246 51.988 1   122.581 ? 122 D 1 .
ATOM 3852 C CB   . PRO Dxp D 14  ? 5.841  56.321 55.094 1   135.568 ? 122 D 1 .
ATOM 3853 C CG   . PRO Dxp D 14  ? 6.044  57.328 56.211 1   135.603 ? 122 D 1 .
ATOM 3854 C CD   . PRO Dxp D 14  ? 5.75   58.682 55.647 1   139.28  ? 122 D 1 .
ATOM 3855 H HA   . PRO Dxp D 14  ? 7.042  57.026 53.55  1   137.051 ? 122 D 1 c
ATOM 3856 H HB3  . PRO Dxp D 14  ? 6.464  55.575 55.176 1   136.002 ? 122 D 1 c
ATOM 3857 H HB2  . PRO Dxp D 14  ? 4.93   55.968 55.11  1   135.882 ? 122 D 1 c
ATOM 3858 H HG3  . PRO Dxp D 14  ? 6.963  57.294 56.539 1   136.316 ? 122 D 1 c
ATOM 3859 H HG2  . PRO Dxp D 14  ? 5.443  57.135 56.958 1   136.41  ? 122 D 1 c
ATOM 3860 H HD3  . PRO Dxp D 14  ? 4.865  58.989 55.918 1   139.653 ? 122 D 1 c
ATOM 3861 H HD2  . PRO Dxp D 14  ? 6.418  59.334 55.937 1   139.442 ? 122 D 1 c
ATOM 3862 N N    . LYS Dxp D 15  ? 5.26   55.181 52.544 1   157.677 ? 123 D 1 .
ATOM 3863 C CA   . LYS Dxp D 15  ? 4.454  54.529 51.519 1   178.303 ? 123 D 1 .
ATOM 3864 C C    . LYS Dxp D 15  ? 4.436  53.011 51.698 1   170.132 ? 123 D 1 .
ATOM 3865 O O    . LYS Dxp D 15  ? 3.342  52.457 51.767 1   161.551 ? 123 D 1 .
ATOM 3866 C CB   . LYS Dxp D 15  ? 4.818  54.861 50.068 1   171.444 ? 123 D 1 .
ATOM 3867 C CG   . LYS Dxp D 15  ? 6.269  54.715 49.745 1   167.857 ? 123 D 1 .
ATOM 3868 C CD   . LYS Dxp D 15  ? 7.158  55.528 50.665 1   199.658 ? 123 D 1 .
ATOM 3869 C CE   . LYS Dxp D 15  ? 6.87   56.987 50.618 1   225.92  ? 123 D 1 .
ATOM 3870 N NZ   . LYS Dxp D 15  ? 8.099  57.717 50.918 1   248.185 ? 123 D 1 .
ATOM 3871 H H    . LYS Dxp D 15  ? 5.785  54.668 53.089 1   155.858 ? 123 D 1 c
ATOM 3872 H HA   . LYS Dxp D 15  ? 3.522  54.845 51.642 1   170.776 ? 123 D 1 c
ATOM 3873 H HB3  . LYS Dxp D 15  ? 4.546  55.783 49.875 1   172.014 ? 123 D 1 c
ATOM 3874 H HB2  . LYS Dxp D 15  ? 4.308  54.271 49.473 1   172.082 ? 123 D 1 c
ATOM 3875 H HG3  . LYS Dxp D 15  ? 6.415  55.006 48.819 1   175.422 ? 123 D 1 c
ATOM 3876 H HG2  . LYS Dxp D 15  ? 6.516  53.768 49.806 1   175.226 ? 123 D 1 c
ATOM 3877 H HD3  . LYS Dxp D 15  ? 8.079  55.386 50.379 1   195.694 ? 123 D 1 c
ATOM 3878 H HD2  . LYS Dxp D 15  ? 7.088  55.204 51.584 1   195.969 ? 123 D 1 c
ATOM 3879 H HE3  . LYS Dxp D 15  ? 6.188  57.242 51.246 1   220.437 ? 123 D 1 c
ATOM 3880 H HE2  . LYS Dxp D 15  ? 6.568  57.231 49.725 1   223.394 ? 123 D 1 c
ATOM 3881 H HZ1  . LYS Dxp D 15  ? 8.679  57.642 50.226 1   240.688 ? 123 D 1 c
ATOM 3882 H HZ2  . LYS Dxp D 15  ? 8.484  57.382 51.667 1   240.743 ? 123 D 1 c
ATOM 3883 H HZ3  . LYS Dxp D 15  ? 7.908  58.593 51.05  1   240.958 ? 123 D 1 c
ATOM 3884 N N    . GLU Dxp D 16  ? 5.602  52.34  51.757 1   158.074 ? 124 D 1 .
ATOM 3885 C CA   . GLU Dxp D 16  ? 5.615  50.896 51.958 1   163.971 ? 124 D 1 .
ATOM 3886 C C    . GLU Dxp D 16  ? 4.654  50.197 50.988 1   153.626 ? 124 D 1 .
ATOM 3887 O O    . GLU Dxp D 16  ? 3.439  50.322 51.118 1   188.426 ? 124 D 1 .
ATOM 3888 C CB   . GLU Dxp D 16  ? 5.161  50.607 53.395 1   170.416 ? 124 D 1 .
ATOM 3889 C CG   . GLU Dxp D 16  ? 6.205  50.945 54.45  1   167.985 ? 124 D 1 .
ATOM 3890 C CD   . GLU Dxp D 16  ? 7.456  50.152 54.15  1   157.149 ? 124 D 1 .
ATOM 3891 O OE1  . GLU Dxp D 16  ? 7.344  48.904 54.164 1   131.288 ? 124 D 1 .
ATOM 3892 O OE2  . GLU Dxp D 16  ? 8.503  50.774 53.86  1   126.024 ? 124 D 1 .
ATOM 3893 H H    . GLU Dxp D 16  ? 6.395  52.789 51.695 1   162.35  ? 124 D 1 c
ATOM 3894 H HA   . GLU Dxp D 16  ? 6.534  50.56  51.808 1   161.831 ? 124 D 1 c
ATOM 3895 H HB3  . GLU Dxp D 16  ? 4.937  49.656 53.469 1   168.061 ? 124 D 1 c
ATOM 3896 H HB2  . GLU Dxp D 16  ? 4.347  51.118 53.584 1   168.291 ? 124 D 1 c
ATOM 3897 H HG3  . GLU Dxp D 16  ? 5.872  50.707 55.341 1   165.919 ? 124 D 1 c
ATOM 3898 H HG2  . GLU Dxp D 16  ? 6.411  51.904 54.425 1   165.689 ? 124 D 1 c
ATOM 3899 N N    . THR Dxp D 17  ? 5.165  49.395 50.052 1   139.316 ? 125 D 1 .
ATOM 3900 C CA   . THR Dxp D 17  ? 4.276  48.595 49.211 1   139.659 ? 125 D 1 .
ATOM 3901 C C    . THR Dxp D 17  ? 3.379  47.67  50.048 1   117.101 ? 125 D 1 .
ATOM 3902 O O    . THR Dxp D 17  ? 3.655  47.369 51.209 1   101.483 ? 125 D 1 .
ATOM 3903 C CB   . THR Dxp D 17  ? 5.068  47.798 48.17  1   142.122 ? 125 D 1 .
ATOM 3904 O OG1  . THR Dxp D 17  ? 6.204  47.224 48.806 1   123.749 ? 125 D 1 .
ATOM 3905 C CG2  . THR Dxp D 17  ? 5.559  48.669 47.027 1   155.386 ? 125 D 1 .
ATOM 3906 H H    . THR Dxp D 17  ? 6.07   49.342 49.93  1   142.964 ? 125 D 1 c
ATOM 3907 H HA   . THR Dxp D 17  ? 3.693  49.218 48.725 1   135.769 ? 125 D 1 c
ATOM 3908 H HB   . THR Dxp D 17  ? 4.503  47.078 47.803 1   139.808 ? 125 D 1 c
ATOM 3909 H HG1  . THR Dxp D 17  ? 7.009  48.186 50.055 0   217.81  ? 125 D 1 c
ATOM 3910 H HG21 . THR Dxp D 17  ? 6.192  48.169 46.486 1   151.34  ? 125 D 1 c
ATOM 3911 H HG22 . THR Dxp D 17  ? 5.995  49.461 47.385 1   151.34  ? 125 D 1 c
ATOM 3912 H HG23 . THR Dxp D 17  ? 4.804  48.937 46.476 1   151.34  ? 125 D 1 c
ATOM 3913 N N    . LEU Dxp D 18  ? 2.307  47.189 49.412 1   100.589 ? 126 D 1 .
ATOM 3914 C CA   . LEU Dxp D 18  ? 1.315  46.352 50.061 1   99.887  ? 126 D 1 .
ATOM 3915 C C    . LEU Dxp D 18  ? 1.718  44.876 50.101 1   82.151  ? 126 D 1 .
ATOM 3916 O O    . LEU Dxp D 18  ? 2.514  44.388 49.321 1   65.544  ? 126 D 1 .
ATOM 3917 C CB   . LEU Dxp D 18  ? -0.014 46.515 49.322 1   112.378 ? 126 D 1 .
ATOM 3918 C CG   . LEU Dxp D 18  ? -0.817 47.791 49.599 1   116.384 ? 126 D 1 .
ATOM 3919 C CD1  . LEU Dxp D 18  ? -2.286 47.55  49.206 1   103.653 ? 126 D 1 .
ATOM 3920 C CD2  . LEU Dxp D 18  ? -0.673 48.27  51.051 1   118.048 ? 126 D 1 .
ATOM 3921 H H    . LEU Dxp D 18  ? 2.194  47.392 48.528 1   104.658 ? 126 D 1 c
ATOM 3922 H HA   . LEU Dxp D 18  ? 1.211  46.665 50.993 1   98.88   ? 126 D 1 c
ATOM 3923 H HB3  . LEU Dxp D 18  ? -0.582 45.741 49.542 1   109.839 ? 126 D 1 c
ATOM 3924 H HB2  . LEU Dxp D 18  ? 0.167  46.47  48.355 1   109.996 ? 126 D 1 c
ATOM 3925 H HG   . LEU Dxp D 18  ? -0.462 48.507 49.011 1   113.477 ? 126 D 1 c
ATOM 3926 H HD11 . LEU Dxp D 18  ? -2.328 47.223 48.292 1   107.218 ? 126 D 1 c
ATOM 3927 H HD12 . LEU Dxp D 18  ? -2.781 48.384 49.273 1   107.218 ? 126 D 1 c
ATOM 3928 H HD13 . LEU Dxp D 18  ? -2.678 46.892 49.803 1   107.218 ? 126 D 1 c
ATOM 3929 H HD21 . LEU Dxp D 18  ? 0.196  48.688 51.173 1   117.254 ? 126 D 1 c
ATOM 3930 H HD22 . LEU Dxp D 18  ? -0.758 47.513 51.655 1   117.253 ? 126 D 1 c
ATOM 3931 H HD23 . LEU Dxp D 18  ? -1.371 48.918 51.248 1   117.441 ? 126 D 1 c
ATOM 3932 N N    . VAL Dxp D 19  ? 1.052  44.148 50.992 1   82.672  ? 127 D 1 .
ATOM 3933 C CA   . VAL Dxp D 19  ? 1.31   42.744 51.216 1   77.084  ? 127 D 1 .
ATOM 3934 C C    . VAL Dxp D 19  ? 0.024  42.102 51.697 1   83.288  ? 127 D 1 .
ATOM 3935 O O    . VAL Dxp D 19  ? -0.586 42.554 52.657 1   100.315 ? 127 D 1 .
ATOM 3936 C CB   . VAL Dxp D 19  ? 2.409  42.508 52.259 1   68.133  ? 127 D 1 .
ATOM 3937 C CG1  . VAL Dxp D 19  ? 3.797  42.486 51.651 1   64.775  ? 127 D 1 .
ATOM 3938 C CG2  . VAL Dxp D 19  ? 2.319  43.545 53.364 1   81.305  ? 127 D 1 .
ATOM 3939 H H    . VAL Dxp D 19  ? 0.398  44.553 51.487 1   81.502  ? 127 D 1 c
ATOM 3940 H HA   . VAL Dxp D 19  ? 1.575  42.335 50.373 1   77.677  ? 127 D 1 c
ATOM 3941 H HB   . VAL Dxp D 19  ? 2.245  41.623 52.662 1   71.438  ? 127 D 1 c
ATOM 3942 H HG11 . VAL Dxp D 19  ? 4.096  43.397 51.491 1   65.988  ? 127 D 1 c
ATOM 3943 H HG12 . VAL Dxp D 19  ? 3.779  42.001 50.81  1   66.132  ? 127 D 1 c
ATOM 3944 H HG13 . VAL Dxp D 19  ? 4.413  42.048 52.263 1   65.871  ? 127 D 1 c
ATOM 3945 H HG21 . VAL Dxp D 19  ? 2.843  43.25  54.127 1   77.187  ? 127 D 1 c
ATOM 3946 H HG22 . VAL Dxp D 19  ? 1.394  43.658 53.634 1   77.331  ? 127 D 1 c
ATOM 3947 H HG23 . VAL Dxp D 19  ? 2.668  44.393 53.043 1   77.147  ? 127 D 1 c
ATOM 3948 N N    . TYR Dxp D 20  ? -0.345 41.022 51.022 1   87.996  ? 128 D 1 .
ATOM 3949 C CA   . TYR Dxp D 20  ? -1.348 40.116 51.527 1   90.666  ? 128 D 1 .
ATOM 3950 C C    . TYR Dxp D 20  ? -0.681 38.842 52.056 1   87.058  ? 128 D 1 .
ATOM 3951 O O    . TYR Dxp D 20  ? 0.392  38.433 51.59  1   84.978  ? 128 D 1 .
ATOM 3952 C CB   . TYR Dxp D 20  ? -2.285 39.909 50.336 1   98.012  ? 128 D 1 .
ATOM 3953 C CG   . TYR Dxp D 20  ? -2.812 41.171 49.663 1   89.263  ? 128 D 1 .
ATOM 3954 C CD1  . TYR Dxp D 20  ? -2.901 42.381 50.344 1   76.358  ? 128 D 1 .
ATOM 3955 C CD2  . TYR Dxp D 20  ? -3.264 41.128 48.347 1   95.447  ? 128 D 1 .
ATOM 3956 C CE1  . TYR Dxp D 20  ? -3.404 43.513 49.73  1   86.955  ? 128 D 1 .
ATOM 3957 C CE2  . TYR Dxp D 20  ? -3.759 42.258 47.718 1   102.243 ? 128 D 1 .
ATOM 3958 C CZ   . TYR Dxp D 20  ? -3.825 43.457 48.411 1   100.686 ? 128 D 1 .
ATOM 3959 O OH   . TYR Dxp D 20  ? -4.305 44.584 47.795 1   113.248 ? 128 D 1 .
ATOM 3960 H H    . TYR Dxp D 20  ? 0.043  40.841 50.214 1   87.349  ? 128 D 1 c
ATOM 3961 H HA   . TYR Dxp D 20  ? -1.848 40.555 52.265 1   90.433  ? 128 D 1 c
ATOM 3962 H HB3  . TYR Dxp D 20  ? -3.052 39.374 50.64  1   94.135  ? 128 D 1 c
ATOM 3963 H HB2  . TYR Dxp D 20  ? -1.807 39.377 49.663 1   94.117  ? 128 D 1 c
ATOM 3964 H HD1  . TYR Dxp D 20  ? -2.621 42.433 51.242 1   82.302  ? 128 D 1 c
ATOM 3965 H HD2  . TYR Dxp D 20  ? -3.215 40.317 47.868 1   95.163  ? 128 D 1 c
ATOM 3966 H HE1  . TYR Dxp D 20  ? -3.443 44.328 50.201 1   87.548  ? 128 D 1 c
ATOM 3967 H HE2  . TYR Dxp D 20  ? -4.043 42.216 46.821 1   100.037 ? 128 D 1 c
ATOM 3968 H HH   . TYR Dxp D 20  ? -4.302 45.247 48.571 0   140.37  ? 128 D 1 c
ATOM 3969 N N    . THR Dxp D 21  ? -1.357 38.228 53.036 1   75.793  ? 129 D 1 .
ATOM 3970 C CA   . THR Dxp D 21  ? -1.109 36.856 53.451 1   65.85   ? 129 D 1 .
ATOM 3971 C C    . THR Dxp D 21  ? -2.054 35.885 52.744 1   62.738  ? 129 D 1 .
ATOM 3972 O O    . THR Dxp D 21  ? -3.11  36.275 52.25  1   60.642  ? 129 D 1 .
ATOM 3973 C CB   . THR Dxp D 21  ? -1.287 36.812 54.956 1   67.726  ? 129 D 1 .
ATOM 3974 O OG1  . THR Dxp D 21  ? -0.225 37.678 55.33  1   71.462  ? 129 D 1 .
ATOM 3975 C CG2  . THR Dxp D 21  ? -1.067 35.441 55.56  1   74.784  ? 129 D 1 .
ATOM 3976 H H    . THR Dxp D 21  ? -2.013 38.695 53.468 1   75.97   ? 129 D 1 c
ATOM 3977 H HA   . THR Dxp D 21  ? -0.184 36.621 53.232 1   67.761  ? 129 D 1 c
ATOM 3978 H HB   . THR Dxp D 21  ? -2.155 37.194 55.231 1   69.372  ? 129 D 1 c
ATOM 3979 H HG1  . THR Dxp D 21  ? 0.258  37.951 55.246 0   67.56   ? 129 D 1 c
ATOM 3980 H HG21 . THR Dxp D 21  ? -0.957 35.527 56.521 1   72.696  ? 129 D 1 c
ATOM 3981 H HG22 . THR Dxp D 21  ? -0.268 35.041 55.181 1   72.627  ? 129 D 1 c
ATOM 3982 H HG23 . THR Dxp D 21  ? -1.834 34.875 55.371 1   72.572  ? 129 D 1 c
ATOM 3983 N N    . LYS Dxp D 22  ? -1.637 34.611 52.691 1   65.141  ? 130 D 1 .
ATOM 3984 C CA   . LYS Dxp D 22  ? -2.321 33.582 51.917 1   66.584  ? 130 D 1 .
ATOM 3985 C C    . LYS Dxp D 22  ? -2.138 32.236 52.61  1   67.288  ? 130 D 1 .
ATOM 3986 O O    . LYS Dxp D 22  ? -1.146 32.001 53.307 1   57.714  ? 130 D 1 .
ATOM 3987 C CB   . LYS Dxp D 22  ? -1.83  33.472 50.462 1   62.479  ? 130 D 1 .
ATOM 3988 C CG   . LYS Dxp D 22  ? -1.931 34.747 49.62  1   60.895  ? 130 D 1 .
ATOM 3989 C CD   . LYS Dxp D 22  ? -3.345 35.114 49.22  1   63.56   ? 130 D 1 .
ATOM 3990 C CE   . LYS Dxp D 22  ? -3.395 36.012 48.037 1   73.772  ? 130 D 1 .
ATOM 3991 N NZ   . LYS Dxp D 22  ? -3.392 37.41  48.472 1   83.705  ? 130 D 1 .
ATOM 3992 H H    . LYS Dxp D 22  ? -0.88  34.378 53.145 1   65.042  ? 130 D 1 c
ATOM 3993 H HA   . LYS Dxp D 22  ? -3.288 33.797 51.904 1   65.717  ? 130 D 1 c
ATOM 3994 H HB3  . LYS Dxp D 22  ? -2.346 32.767 50.015 1   63.034  ? 130 D 1 c
ATOM 3995 H HB2  . LYS Dxp D 22  ? -0.892 33.187 50.474 1   63.04   ? 130 D 1 c
ATOM 3996 H HG3  . LYS Dxp D 22  ? -1.392 34.627 48.81  1   62.019  ? 130 D 1 c
ATOM 3997 H HG2  . LYS Dxp D 22  ? -1.541 35.49  50.128 1   61.946  ? 130 D 1 c
ATOM 3998 H HD3  . LYS Dxp D 22  ? -3.791 35.554 49.976 1   65.337  ? 130 D 1 c
ATOM 3999 H HD2  . LYS Dxp D 22  ? -3.842 34.292 49.017 1   65.189  ? 130 D 1 c
ATOM 4000 H HE3  . LYS Dxp D 22  ? -4.21  35.839 47.533 1   73.415  ? 130 D 1 c
ATOM 4001 H HE2  . LYS Dxp D 22  ? -2.636 35.849 47.45  1   73.314  ? 130 D 1 c
ATOM 4002 H HZ1  . LYS Dxp D 22  ? -2.836 37.509 49.177 1   80.548  ? 130 D 1 c
ATOM 4003 H HZ2  . LYS Dxp D 22  ? -4.229 37.649 48.722 1   80.535  ? 130 D 1 c
ATOM 4004 H HZ3  . LYS Dxp D 22  ? -3.126 37.946 47.792 1   80.599  ? 130 D 1 c
ATOM 4005 N N    . GLN Dxp D 23  ? -3.118 31.354 52.383 1   73.971  ? 131 D 1 .
ATOM 4006 C CA   . GLN Dxp D 23  ? -3.113 30.021 52.963 1   81.918  ? 131 D 1 .
ATOM 4007 C C    . GLN Dxp D 23  ? -3.538 29.032 51.893 1   80.225  ? 131 D 1 .
ATOM 4008 O O    . GLN Dxp D 23  ? -4.447 29.349 51.133 1   84.835  ? 131 D 1 .
ATOM 4009 C CB   . GLN Dxp D 23  ? -4.091 29.937 54.13  1   86.925  ? 131 D 1 .
ATOM 4010 C CG   . GLN Dxp D 23  ? -3.97  28.641 54.918 1   93.733  ? 131 D 1 .
ATOM 4011 C CD   . GLN Dxp D 23  ? -4.458 28.775 56.344 1   101.37  ? 131 D 1 .
ATOM 4012 O OE1  . GLN Dxp D 23  ? -3.692 28.656 57.32  1   79.166  ? 131 D 1 .
ATOM 4013 N NE2  . GLN Dxp D 23  ? -5.757 29.036 56.453 1   105.546 ? 131 D 1 .
ATOM 4014 H H    . GLN Dxp D 23  ? -3.817 31.593 51.845 1   73.919  ? 131 D 1 c
ATOM 4015 H HA   . GLN Dxp D 23  ? -2.2   29.806 53.267 1   80.56   ? 131 D 1 c
ATOM 4016 H HB3  . GLN Dxp D 23  ? -5.005 30.017 53.785 1   87.198  ? 131 D 1 c
ATOM 4017 H HB2  . GLN Dxp D 23  ? -3.931 30.694 54.732 1   87.205  ? 131 D 1 c
ATOM 4018 H HG3  . GLN Dxp D 23  ? -3.032 28.355 54.931 1   93.447  ? 131 D 1 c
ATOM 4019 H HG2  . GLN Dxp D 23  ? -4.489 27.941 54.469 1   93.649  ? 131 D 1 c
ATOM 4020 H HE21 . GLN Dxp D 23  ? -6.052 29.535 57.125 1   104.177 ? 131 D 1 c
ATOM 4021 H HE22 . GLN Dxp D 23  ? -6.327 28.713 55.856 1   103.962 ? 131 D 1 c
ATOM 4022 N N    . THR Dxp D 24  ? -2.882 27.866 51.834 1   80.615  ? 132 D 1 .
ATOM 4023 C CA   . THR Dxp D 24  ? -3.045 26.988 50.682 1   95.728  ? 132 D 1 .
ATOM 4024 C C    . THR Dxp D 24  ? -2.792 25.545 51.089 1   86.384  ? 132 D 1 .
ATOM 4025 O O    . THR Dxp D 24  ? -1.694 25.222 51.533 1   84.379  ? 132 D 1 .
ATOM 4026 C CB   . THR Dxp D 24  ? -2.119 27.396 49.527 1   105.503 ? 132 D 1 .
ATOM 4027 O OG1  . THR Dxp D 24  ? -0.819 27.728 50.008 1   91.954  ? 132 D 1 .
ATOM 4028 C CG2  . THR Dxp D 24  ? -2.618 28.61  48.76  1   105.234 ? 132 D 1 .
ATOM 4029 H H    . THR Dxp D 24  ? -2.329 27.613 52.517 1   83.664  ? 132 D 1 c
ATOM 4030 H HA   . THR Dxp D 24  ? -3.973 27.063 50.37  1   92.325  ? 132 D 1 c
ATOM 4031 H HB   . THR Dxp D 24  ? -2.043 26.642 48.895 1   100.669 ? 132 D 1 c
ATOM 4032 H HG1  . THR Dxp D 24  ? -1.132 28.356 50.436 0   42.9    ? 132 D 1 c
ATOM 4033 H HG21 . THR Dxp D 24  ? -2.177 28.651 47.895 1   105.023 ? 132 D 1 c
ATOM 4034 H HG22 . THR Dxp D 24  ? -2.419 29.417 49.263 1   105.013 ? 132 D 1 c
ATOM 4035 H HG23 . THR Dxp D 24  ? -3.579 28.54  48.629 1   105.109 ? 132 D 1 c
ATOM 4036 N N    . GLN Dxp D 25  ? -3.795 24.688 50.857 1   84.526  ? 133 D 1 .
ATOM 4037 C CA   . GLN Dxp D 25  ? -3.724 23.29  51.268 1   85.081  ? 133 D 1 .
ATOM 4038 C C    . GLN Dxp D 25  ? -3.905 22.363 50.065 1   83.008  ? 133 D 1 .
ATOM 4039 O O    . GLN Dxp D 25  ? -4.748 22.572 49.193 1   88.064  ? 133 D 1 .
ATOM 4040 C CB   . GLN Dxp D 25  ? -4.728 22.925 52.363 1   72.151  ? 133 D 1 .
ATOM 4041 C CG   . GLN Dxp D 25  ? -4.635 21.487 52.863 1   67.968  ? 133 D 1 .
ATOM 4042 C CD   . GLN Dxp D 25  ? -3.386 21.184 53.666 1   75.804  ? 133 D 1 .
ATOM 4043 O OE1  . GLN Dxp D 25  ? -2.868 22.033 54.394 1   97.918  ? 133 D 1 .
ATOM 4044 N NE2  . GLN Dxp D 25  ? -2.875 19.968 53.568 1   80.195  ? 133 D 1 .
ATOM 4045 H H    . GLN Dxp D 25  ? -4.548 24.982 50.43  1   85.774  ? 133 D 1 c
ATOM 4046 H HA   . GLN Dxp D 25  ? -2.82  23.131 51.64  1   82.009  ? 133 D 1 c
ATOM 4047 H HB3  . GLN Dxp D 25  ? -5.633 23.083 52.022 1   73.957  ? 133 D 1 c
ATOM 4048 H HB2  . GLN Dxp D 25  ? -4.589 23.528 53.12  1   74.189  ? 133 D 1 c
ATOM 4049 H HG3  . GLN Dxp D 25  ? -4.67  20.878 52.101 1   71.018  ? 133 D 1 c
ATOM 4050 H HG2  . GLN Dxp D 25  ? -5.415 21.296 53.426 1   70.721  ? 133 D 1 c
ATOM 4051 H HE21 . GLN Dxp D 25  ? -2.036 19.861 53.303 1   78.817  ? 133 D 1 c
ATOM 4052 H HE22 . GLN Dxp D 25  ? -3.374 19.262 53.767 1   78.817  ? 133 D 1 c
ATOM 4053 N N    . THR Dxp D 26  ? -3.072 21.326 50.042 1   76.51   ? 134 D 1 .
ATOM 4054 C CA   . THR Dxp D 26  ? -3.117 20.344 48.985 1   86.884  ? 134 D 1 .
ATOM 4055 C C    . THR Dxp D 26  ? -4.144 19.298 49.381 1   94.186  ? 134 D 1 .
ATOM 4056 O O    . THR Dxp D 26  ? -4.634 19.283 50.498 1   110.079 ? 134 D 1 .
ATOM 4057 C CB   . THR Dxp D 26  ? -1.742 19.715 48.74  1   96.17   ? 134 D 1 .
ATOM 4058 O OG1  . THR Dxp D 26  ? -1.265 19.151 49.959 1   110.66  ? 134 D 1 .
ATOM 4059 C CG2  . THR Dxp D 26  ? -0.727 20.711 48.21  1   100.943 ? 134 D 1 .
ATOM 4060 H H    . THR Dxp D 26  ? -2.455 21.225 50.709 1   80.435  ? 134 D 1 c
ATOM 4061 H HA   . THR Dxp D 26  ? -3.412 20.785 48.162 1   87.705  ? 134 D 1 c
ATOM 4062 H HB   . THR Dxp D 26  ? -1.838 18.995 48.071 1   97.942  ? 134 D 1 c
ATOM 4063 H HG1  . THR Dxp D 26  ? -1.115 19.523 50.42  0   127.46  ? 134 D 1 c
ATOM 4064 H HG21 . THR Dxp D 26  ? 0.161  20.464 48.517 1   99.261  ? 134 D 1 c
ATOM 4065 H HG22 . THR Dxp D 26  ? -0.944 21.601 48.534 1   99.035  ? 134 D 1 c
ATOM 4066 H HG23 . THR Dxp D 26  ? -0.746 20.707 47.239 1   99.368  ? 134 D 1 c
ATOM 4067 N N    . THR Dxp D 27  ? -4.435 18.409 48.438 1   107.93  ? 135 D 1 .
ATOM 4068 C CA   . THR Dxp D 27  ? -5.331 17.295 48.655 1   96.037  ? 135 D 1 .
ATOM 4069 C C    . THR Dxp D 27  ? -4.489 16.027 48.805 1   121.119 ? 135 D 1 .
ATOM 4070 O O    . THR Dxp D 27  ? -3.579 16.016 49.711 1   103.417 ? 135 D 1 .
ATOM 4071 C CB   . THR Dxp D 27  ? -6.289 17.247 47.462 1   92.413  ? 135 D 1 .
ATOM 4072 O OG1  . THR Dxp D 27  ? -6.544 18.565 46.97  1   68.463  ? 135 D 1 .
ATOM 4073 C CG2  . THR Dxp D 27  ? -7.584 16.559 47.849 1   107.672 ? 135 D 1 .
ATOM 4074 O OXT  . THR Dxp D 27  ? -4.743 15.081 48.007 1   145.287 ? 135 D 1 .
ATOM 4075 H H    . THR Dxp D 27  ? -4.057 18.506 47.612 1   101.515 ? 135 D 1 c
ATOM 4076 H HA   . THR Dxp D 27  ? -5.845 17.446 49.478 1   101.831 ? 135 D 1 c
ATOM 4077 H HB   . THR Dxp D 27  ? -5.874 16.722 46.737 1   90.679  ? 135 D 1 c
ATOM 4078 H HG1  . THR Dxp D 27  ? -6.982 18.888 47.557 0   48.27   ? 135 D 1 c
ATOM 4079 H HG21 . THR Dxp D 27  ? -8.173 16.517 47.077 1   102.949 ? 135 D 1 c
ATOM 4080 H HG22 . THR Dxp D 27  ? -8.019 17.059 48.56  1   102.943 ? 135 D 1 c
ATOM 4081 H HG23 . THR Dxp D 27  ? -7.393 15.657 48.158 1   103.094 ? 135 D 1 c
ATOM 4082 N N    . LYS Exp E 1   ? 12.315 14.561 69.599 1   105.411 ? 5   E 1 .
ATOM 4083 C CA   . LYS Exp E 1   ? 11.623 13.879 68.47  1   123.007 ? 5   E 1 .
ATOM 4084 C C    . LYS Exp E 1   ? 11.821 14.655 67.17  1   112.604 ? 5   E 1 .
ATOM 4085 O O    . LYS Exp E 1   ? 11.305 14.258 66.129 1   122.59  ? 5   E 1 .
ATOM 4086 C CB   . LYS Exp E 1   ? 10.136 13.647 68.79  1   133.918 ? 5   E 1 .
ATOM 4087 C CG   . LYS Exp E 1   ? 9.822  12.216 69.204 1   133.989 ? 5   E 1 .
ATOM 4088 C CD   . LYS Exp E 1   ? 8.623  12.036 70.119 1   133.632 ? 5   E 1 .
ATOM 4089 C CE   . LYS Exp E 1   ? 8.665  10.676 70.743 1   134.736 ? 5   E 1 .
ATOM 4090 N NZ   . LYS Exp E 1   ? 7.602  10.543 71.741 1   144.62  ? 5   E 1 .
ATOM 4091 H H    . LYS Exp E 1   ? 12.175 14.091 70.356 1   110.452 ? 5   E 1 c
ATOM 4092 H H2   . LYS Exp E 1   ? 11.986 15.392 69.722 1   110.301 ? 5   E 1 c
ATOM 4093 H H3   . LYS Exp E 1   ? 13.205 14.599 69.455 1   110.302 ? 5   E 1 c
ATOM 4094 H HA   . LYS Exp E 1   ? 12.047 12.99  68.354 1   119.502 ? 5   E 1 c
ATOM 4095 H HB3  . LYS Exp E 1   ? 9.596  13.87  68.001 1   131.2   ? 5   E 1 c
ATOM 4096 H HB2  . LYS Exp E 1   ? 9.869  14.25  69.516 1   131.204 ? 5   E 1 c
ATOM 4097 H HG3  . LYS Exp E 1   ? 10.615 11.847 69.652 1   133.743 ? 5   E 1 c
ATOM 4098 H HG2  . LYS Exp E 1   ? 9.676  11.687 68.39  1   133.862 ? 5   E 1 c
ATOM 4099 H HD3  . LYS Exp E 1   ? 7.795  12.133 69.602 1   133.972 ? 5   E 1 c
ATOM 4100 H HD2  . LYS Exp E 1   ? 8.639  12.719 70.825 1   133.995 ? 5   E 1 c
ATOM 4101 H HE3  . LYS Exp E 1   ? 9.526  10.534 71.174 1   136.735 ? 5   E 1 c
ATOM 4102 H HE2  . LYS Exp E 1   ? 8.547  9.995  70.057 1   136.749 ? 5   E 1 c
ATOM 4103 H HZ1  . LYS Exp E 1   ? 6.795  10.663 71.348 1   141.434 ? 5   E 1 c
ATOM 4104 H HZ2  . LYS Exp E 1   ? 7.712  11.166 72.39  1   141.396 ? 5   E 1 c
ATOM 4105 H HZ3  . LYS Exp E 1   ? 7.633  9.718  72.113 1   141.469 ? 5   E 1 c
ATOM 4106 N N    . ALA Exp E 2   ? 12.571 15.756 67.239 1   96.408  ? 6   E 1 .
ATOM 4107 C CA   . ALA Exp E 2   ? 12.858 16.548 66.065 1   91.417  ? 6   E 1 .
ATOM 4108 C C    . ALA Exp E 2   ? 14.073 15.949 65.371 1   103.563 ? 6   E 1 .
ATOM 4109 O O    . ALA Exp E 2   ? 14.926 15.326 66.006 1   107.538 ? 6   E 1 .
ATOM 4110 C CB   . ALA Exp E 2   ? 13.096 17.986 66.457 1   89.509  ? 6   E 1 .
ATOM 4111 H H    . ALA Exp E 2   ? 12.916 16.026 68.04  1   99.187  ? 6   E 1 c
ATOM 4112 H HA   . ALA Exp E 2   ? 12.078 16.498 65.448 1   94.198  ? 6   E 1 c
ATOM 4113 H HB3  . ALA Exp E 2   ? 13.321 18.507 65.668 1   90.012  ? 6   E 1 c
ATOM 4114 H HB2  . ALA Exp E 2   ? 13.829 18.035 67.093 1   90.012  ? 6   E 1 c
ATOM 4115 H HB1  . ALA Exp E 2   ? 12.292 18.351 66.864 1   89.82   ? 6   E 1 c
ATOM 4116 N N    . VAL Exp E 3   ? 14.108 16.131 64.05  1   102.564 ? 7   E 1 .
ATOM 4117 C CA   . VAL Exp E 3   ? 15.279 15.847 63.246 1   92.908  ? 7   E 1 .
ATOM 4118 C C    . VAL Exp E 3   ? 15.547 17.102 62.427 1   86.632  ? 7   E 1 .
ATOM 4119 O O    . VAL Exp E 3   ? 14.799 17.44  61.51  1   84.7    ? 7   E 1 .
ATOM 4120 C CB   . VAL Exp E 3   ? 15.069 14.599 62.369 1   107.571 ? 7   E 1 .
ATOM 4121 C CG1  . VAL Exp E 3   ? 16.203 14.362 61.372 1   122.719 ? 7   E 1 .
ATOM 4122 C CG2  . VAL Exp E 3   ? 14.864 13.372 63.242 1   122.354 ? 7   E 1 .
ATOM 4123 H H    . VAL Exp E 3   ? 13.36  16.446 63.629 1   100.298 ? 7   E 1 c
ATOM 4124 H HA   . VAL Exp E 3   ? 16.039 15.688 63.839 1   95.928  ? 7   E 1 c
ATOM 4125 H HB   . VAL Exp E 3   ? 14.241 14.743 61.854 1   109.633 ? 7   E 1 c
ATOM 4126 H HG11 . VAL Exp E 3   ? 17.056 14.538 61.803 1   118.018 ? 7   E 1 c
ATOM 4127 H HG12 . VAL Exp E 3   ? 16.096 14.956 60.611 1   117.885 ? 7   E 1 c
ATOM 4128 H HG13 . VAL Exp E 3   ? 16.181 13.44  61.066 1   118.038 ? 7   E 1 c
ATOM 4129 H HG21 . VAL Exp E 3   ? 14.813 12.579 62.683 1   117.767 ? 7   E 1 c
ATOM 4130 H HG22 . VAL Exp E 3   ? 14.037 13.466 63.744 1   117.698 ? 7   E 1 c
ATOM 4131 H HG23 . VAL Exp E 3   ? 15.609 13.285 63.86  1   117.765 ? 7   E 1 c
ATOM 4132 N N    . ILE Exp E 4   ? 16.597 17.832 62.809 1   81.345  ? 8   E 1 .
ATOM 4133 C CA   . ILE Exp E 4   ? 16.971 19.01  62.053 1   76.858  ? 8   E 1 .
ATOM 4134 C C    . ILE Exp E 4   ? 17.561 18.519 60.737 1   64.911  ? 8   E 1 .
ATOM 4135 O O    . ILE Exp E 4   ? 18.332 17.576 60.718 1   79.589  ? 8   E 1 .
ATOM 4136 C CB   . ILE Exp E 4   ? 17.945 19.907 62.843 1   84.627  ? 8   E 1 .
ATOM 4137 C CG1  . ILE Exp E 4   ? 17.336 20.496 64.145 1   74.705  ? 8   E 1 .
ATOM 4138 C CG2  . ILE Exp E 4   ? 18.474 21.013 61.935 1   95.597  ? 8   E 1 .
ATOM 4139 C CD1  . ILE Exp E 4   ? 16.178 21.463 63.942 1   62.787  ? 8   E 1 .
ATOM 4140 H H    . ILE Exp E 4   ? 17.083 17.598 63.547 1   81.738  ? 8   E 1 c
ATOM 4141 H HA   . ILE Exp E 4   ? 16.165 19.526 61.862 1   76.588  ? 8   E 1 c
ATOM 4142 H HB   . ILE Exp E 4   ? 18.706 19.351 63.104 1   83.125  ? 8   E 1 c
ATOM 4143 H HG12 . ILE Exp E 4   ? 18.045 20.96  64.636 1   73.812  ? 8   E 1 c
ATOM 4144 H HG13 . ILE Exp E 4   ? 17.026 19.755 64.705 1   73.841  ? 8   E 1 c
ATOM 4145 H HG21 . ILE Exp E 4   ? 18.774 21.762 62.477 1   91.841  ? 8   E 1 c
ATOM 4146 H HG22 . ILE Exp E 4   ? 17.768 21.312 61.337 1   91.869  ? 8   E 1 c
ATOM 4147 H HG23 . ILE Exp E 4   ? 19.22  20.677 61.411 1   91.939  ? 8   E 1 c
ATOM 4148 H HD11 . ILE Exp E 4   ? 16.441 22.175 63.329 1   66.242  ? 8   E 1 c
ATOM 4149 H HD12 . ILE Exp E 4   ? 15.927 21.852 64.801 1   66.173  ? 8   E 1 c
ATOM 4150 H HD13 . ILE Exp E 4   ? 15.414 20.982 63.57  1   66.375  ? 8   E 1 c
ATOM 4151 N N    . LYS Exp E 5   ? 17.178 19.134 59.627 1   67.261  ? 9   E 1 .
ATOM 4152 C CA   . LYS Exp E 5   ? 17.725 18.752 58.333 1   77.165  ? 9   E 1 .
ATOM 4153 C C    . LYS Exp E 5   ? 18.659 19.833 57.766 1   84.571  ? 9   E 1 .
ATOM 4154 O O    . LYS Exp E 5   ? 19.627 19.496 57.091 1   86.101  ? 9   E 1 .
ATOM 4155 C CB   . LYS Exp E 5   ? 16.55  18.446 57.399 1   82.299  ? 9   E 1 .
ATOM 4156 C CG   . LYS Exp E 5   ? 16.683 17.184 56.577 1   92.162  ? 9   E 1 .
ATOM 4157 C CD   . LYS Exp E 5   ? 16.361 15.903 57.344 1   107.951 ? 9   E 1 .
ATOM 4158 C CE   . LYS Exp E 5   ? 16.13  14.717 56.457 1   130.627 ? 9   E 1 .
ATOM 4159 N NZ   . LYS Exp E 5   ? 17.127 14.563 55.394 1   148.702 ? 9   E 1 .
ATOM 4160 H H    . LYS Exp E 5   ? 16.553 19.8   59.667 1   69.112  ? 9   E 1 c
ATOM 4161 H HA   . LYS Exp E 5   ? 18.25  17.92  58.447 1   77.304  ? 9   E 1 c
ATOM 4162 H HB3  . LYS Exp E 5   ? 16.439 19.201 56.784 1   82.865  ? 9   E 1 c
ATOM 4163 H HB2  . LYS Exp E 5   ? 15.731 18.38  57.935 1   83.12   ? 9   E 1 c
ATOM 4164 H HG3  . LYS Exp E 5   ? 17.602 17.13  56.237 1   93.238  ? 9   E 1 c
ATOM 4165 H HG2  . LYS Exp E 5   ? 16.082 17.251 55.804 1   92.87   ? 9   E 1 c
ATOM 4166 H HD3  . LYS Exp E 5   ? 15.559 16.052 57.89  1   108.673 ? 9   E 1 c
ATOM 4167 H HD2  . LYS Exp E 5   ? 17.105 15.703 57.953 1   108.831 ? 9   E 1 c
ATOM 4168 H HE3  . LYS Exp E 5   ? 15.254 14.802 56.044 1   128.165 ? 9   E 1 c
ATOM 4169 H HE2  . LYS Exp E 5   ? 16.125 13.909 57.001 1   128.781 ? 9   E 1 c
ATOM 4170 H HZ1  . LYS Exp E 5   ? 17.948 14.785 55.705 1   142.272 ? 9   E 1 c
ATOM 4171 H HZ2  . LYS Exp E 5   ? 16.917 15.098 54.694 1   142.448 ? 9   E 1 c
ATOM 4172 H HZ3  . LYS Exp E 5   ? 17.14  13.701 55.113 1   142.684 ? 9   E 1 c
ATOM 4173 N N    . ASN Exp E 6   ? 18.374 21.125 58.03  1   86.287  ? 10  E 1 .
ATOM 4174 C CA   . ASN Exp E 6   ? 19.09  22.255 57.446 1   75.376  ? 10  E 1 .
ATOM 4175 C C    . ASN Exp E 6   ? 18.774 23.529 58.232 1   74.932  ? 10  E 1 .
ATOM 4176 O O    . ASN Exp E 6   ? 17.611 23.947 58.287 1   67.087  ? 10  E 1 .
ATOM 4177 C CB   . ASN Exp E 6   ? 18.674 22.454 55.995 1   80.865  ? 10  E 1 .
ATOM 4178 C CG   . ASN Exp E 6   ? 19.556 23.413 55.231 1   80.301  ? 10  E 1 .
ATOM 4179 O OD1  . ASN Exp E 6   ? 20.081 24.383 55.789 1   92.415  ? 10  E 1 .
ATOM 4180 N ND2  . ASN Exp E 6   ? 19.727 23.157 53.947 1   72.143  ? 10  E 1 .
ATOM 4181 H H    . ASN Exp E 6   ? 17.688 21.307 58.605 1   82.919  ? 10  E 1 c
ATOM 4182 H HA   . ASN Exp E 6   ? 20.057 22.076 57.471 1   78.311  ? 10  E 1 c
ATOM 4183 H HB3  . ASN Exp E 6   ? 17.754 22.786 55.971 1   79.35   ? 10  E 1 c
ATOM 4184 H HB2  . ASN Exp E 6   ? 18.688 21.588 55.542 1   79.41   ? 10  E 1 c
ATOM 4185 H HD21 . ASN Exp E 6   ? 20.526 23.265 53.577 1   74.571  ? 10  E 1 c
ATOM 4186 H HD22 . ASN Exp E 6   ? 19.043 22.879 53.456 1   74.602  ? 10  E 1 c
ATOM 4187 N N    . ALA Exp E 7   ? 19.815 24.156 58.813 1   76.101  ? 11  E 1 .
ATOM 4188 C CA   . ALA Exp E 7   ? 19.614 25.114 59.896 1   74.579  ? 11  E 1 .
ATOM 4189 C C    . ALA Exp E 7   ? 20.424 26.385 59.684 1   69.368  ? 11  E 1 .
ATOM 4190 O O    . ALA Exp E 7   ? 21.643 26.314 59.709 1   67.137  ? 11  E 1 .
ATOM 4191 C CB   . ALA Exp E 7   ? 20.018 24.485 61.206 1   69.034  ? 11  E 1 .
ATOM 4192 H H    . ALA Exp E 7   ? 20.665 23.984 58.526 1   75.5    ? 11  E 1 c
ATOM 4193 H HA   . ALA Exp E 7   ? 18.649 25.358 59.933 1   72.813  ? 11  E 1 c
ATOM 4194 H HB3  . ALA Exp E 7   ? 19.96  25.145 61.918 1   70.656  ? 11  E 1 c
ATOM 4195 H HB2  . ALA Exp E 7   ? 20.931 24.158 61.144 1   70.648  ? 11  E 1 c
ATOM 4196 H HB1  . ALA Exp E 7   ? 19.424 23.743 61.408 1   70.763  ? 11  E 1 c
ATOM 4197 N N    . ASP Exp E 8   ? 19.744 27.537 59.535 1   72.551  ? 12  E 1 .
ATOM 4198 C CA   . ASP Exp E 8   ? 20.417 28.834 59.535 1   76.587  ? 12  E 1 .
ATOM 4199 C C    . ASP Exp E 8   ? 19.616 29.807 60.381 1   77.654  ? 12  E 1 .
ATOM 4200 O O    . ASP Exp E 8   ? 18.547 30.263 59.97  1   74.983  ? 12  E 1 .
ATOM 4201 C CB   . ASP Exp E 8   ? 20.648 29.437 58.153 1   78.578  ? 12  E 1 .
ATOM 4202 C CG   . ASP Exp E 8   ? 21.59  30.641 58.069 1   69.694  ? 12  E 1 .
ATOM 4203 O OD1  . ASP Exp E 8   ? 22.108 31.074 59.121 1   57.679  ? 12  E 1 .
ATOM 4204 O OD2  . ASP Exp E 8   ? 21.809 31.156 56.944 1   71.418  ? 12  E 1 .
ATOM 4205 H H    . ASP Exp E 8   ? 18.837 27.512 59.427 1   72.699  ? 12  E 1 c
ATOM 4206 H HA   . ASP Exp E 8   ? 21.298 28.718 59.95  1   76.112  ? 12  E 1 c
ATOM 4207 H HB3  . ASP Exp E 8   ? 19.783 29.705 57.778 1   76.056  ? 12  E 1 c
ATOM 4208 H HB2  . ASP Exp E 8   ? 21.013 28.736 57.575 1   76.256  ? 12  E 1 c
ATOM 4209 N N    . MET Exp E 9   ? 20.256 30.19  61.483 1   74.91   ? 13  E 1 .
ATOM 4210 C CA   . MET Exp E 9   ? 19.597 30.465 62.742 1   66.739  ? 13  E 1 .
ATOM 4211 C C    . MET Exp E 9   ? 20.204 29.559 63.807 1   58.36   ? 13  E 1 .
ATOM 4212 O O    . MET Exp E 9   ? 21.074 28.747 63.55  1   58.14   ? 13  E 1 .
ATOM 4213 C CB   . MET Exp E 9   ? 18.06  30.406 62.676 1   72.619  ? 13  E 1 .
ATOM 4214 C CG   . MET Exp E 9   ? 17.389 29.028 62.779 1   69.342  ? 13  E 1 .
ATOM 4215 S SD   . MET Exp E 9   ? 15.74  29.122 63.542 1   58.07   ? 13  E 1 .
ATOM 4216 C CE   . MET Exp E 9   ? 14.789 30.032 62.31  1   47.803  ? 13  E 1 .
ATOM 4217 H H    . MET Exp E 9   ? 21.163 30.298 61.442 1   73.631  ? 13  E 1 c
ATOM 4218 H HA   . MET Exp E 9   ? 19.847 31.39  62.993 1   67.707  ? 13  E 1 c
ATOM 4219 H HB3  . MET Exp E 9   ? 17.765 30.838 61.848 1   70.623  ? 13  E 1 c
ATOM 4220 H HB2  . MET Exp E 9   ? 17.722 30.948 63.415 1   70.766  ? 13  E 1 c
ATOM 4221 H HG3  . MET Exp E 9   ? 17.946 28.429 63.301 1   67.964  ? 13  E 1 c
ATOM 4222 H HG2  . MET Exp E 9   ? 17.298 28.647 61.884 1   67.815  ? 13  E 1 c
ATOM 4223 H HE3  . MET Exp E 9   ? 14.206 29.416 61.83  1   50.355  ? 13  E 1 c
ATOM 4224 H HE2  . MET Exp E 9   ? 15.397 30.46  61.68  1   50.526  ? 13  E 1 c
ATOM 4225 H HE1  . MET Exp E 9   ? 14.247 30.71  62.754 1   50.461  ? 13  E 1 c
ATOM 4226 N N    . SER Exp E 10  ? 19.569 29.612 64.962 1   70.933  ? 14  E 1 .
ATOM 4227 C CA   . SER Exp E 10  ? 20.024 30.504 66.005 1   74.852  ? 14  E 1 .
ATOM 4228 C C    . SER Exp E 10  ? 20.244 29.797 67.332 1   79.379  ? 14  E 1 .
ATOM 4229 O O    . SER Exp E 10  ? 20.458 30.47  68.325 1   99.865  ? 14  E 1 .
ATOM 4230 C CB   . SER Exp E 10  ? 18.94  31.529 66.134 1   80.428  ? 14  E 1 .
ATOM 4231 O OG   . SER Exp E 10  ? 19.349 32.745 66.723 1   94.43   ? 14  E 1 .
ATOM 4232 H H    . SER Exp E 10  ? 18.812 29.121 65.098 1   69.068  ? 14  E 1 c
ATOM 4233 H HA   . SER Exp E 10  ? 20.866 30.943 65.721 1   75.753  ? 14  E 1 c
ATOM 4234 H HB3  . SER Exp E 10  ? 18.238 31.146 66.67  1   81.521  ? 14  E 1 c
ATOM 4235 H HB2  . SER Exp E 10  ? 18.581 31.716 65.247 1   81.776  ? 14  E 1 c
ATOM 4236 H HG   . SER Exp E 10  ? 18.615 33.337 66.572 0   59.64   ? 14  E 1 c
ATOM 4237 N N    . GLU Exp E 11  ? 20.215 28.462 67.341 1   87.921  ? 15  E 1 .
ATOM 4238 C CA   . GLU Exp E 11  ? 20.126 27.669 68.56  1   87.23   ? 15  E 1 .
ATOM 4239 C C    . GLU Exp E 11  ? 18.884 28.055 69.348 1   81.829  ? 15  E 1 .
ATOM 4240 O O    . GLU Exp E 11  ? 17.87  27.392 69.241 1   97.894  ? 15  E 1 .
ATOM 4241 C CB   . GLU Exp E 11  ? 21.384 27.705 69.432 1   96.279  ? 15  E 1 .
ATOM 4242 C CG   . GLU Exp E 11  ? 22.156 26.39  69.405 1   101.307 ? 15  E 1 .
ATOM 4243 C CD   . GLU Exp E 11  ? 21.346 25.224 69.949 1   99.099  ? 15  E 1 .
ATOM 4244 O OE1  . GLU Exp E 11  ? 20.232 25.431 70.496 1   94.255  ? 15  E 1 .
ATOM 4245 O OE2  . GLU Exp E 11  ? 21.837 24.089 69.783 1   94.381  ? 15  E 1 .
ATOM 4246 H H    . GLU Exp E 11  ? 20.321 28.021 66.549 1   85.339  ? 15  E 1 c
ATOM 4247 H HA   . GLU Exp E 11  ? 20.009 26.728 68.278 1   88.072  ? 15  E 1 c
ATOM 4248 H HB3  . GLU Exp E 11  ? 21.133 27.9   70.359 1   95.042  ? 15  E 1 c
ATOM 4249 H HB2  . GLU Exp E 11  ? 21.969 28.426 69.122 1   95.109  ? 15  E 1 c
ATOM 4250 H HG3  . GLU Exp E 11  ? 22.973 26.483 69.939 1   99.642  ? 15  E 1 c
ATOM 4251 H HG2  . GLU Exp E 11  ? 22.418 26.188 68.481 1   99.642  ? 15  E 1 c
ATOM 4252 N N    . GLU Exp E 12  ? 18.968 29.119 70.146 1   88.809  ? 16  E 1 .
ATOM 4253 C CA   . GLU Exp E 12  ? 17.819 29.604 70.893 1   86.528  ? 16  E 1 .
ATOM 4254 C C    . GLU Exp E 12  ? 16.636 29.864 69.954 1   75.521  ? 16  E 1 .
ATOM 4255 O O    . GLU Exp E 12  ? 15.506 29.527 70.321 1   75.276  ? 16  E 1 .
ATOM 4256 C CB   . GLU Exp E 12  ? 18.212 30.865 71.661 1   101.042 ? 16  E 1 .
ATOM 4257 C CG   . GLU Exp E 12  ? 17.129 31.367 72.612 1   109.965 ? 16  E 1 .
ATOM 4258 C CD   . GLU Exp E 12  ? 17.015 32.877 72.702 1   120.517 ? 16  E 1 .
ATOM 4259 O OE1  . GLU Exp E 12  ? 17.907 33.525 73.293 1   148.762 ? 16  E 1 .
ATOM 4260 O OE2  . GLU Exp E 12  ? 16.033 33.402 72.134 1   130.957 ? 16  E 1 .
ATOM 4261 H H    . GLU Exp E 12  ? 19.759 29.57  70.216 1   86.862  ? 16  E 1 c
ATOM 4262 H HA   . GLU Exp E 12  ? 17.556 28.906 71.545 1   87.201  ? 16  E 1 c
ATOM 4263 H HB3  . GLU Exp E 12  ? 18.426 31.572 71.016 1   99.513  ? 16  E 1 c
ATOM 4264 H HB2  . GLU Exp E 12  ? 19.024 30.679 72.177 1   99.361  ? 16  E 1 c
ATOM 4265 H HG3  . GLU Exp E 12  ? 17.311 31.018 73.51  1   110.081 ? 16  E 1 c
ATOM 4266 H HG2  . GLU Exp E 12  ? 16.261 31.008 72.33  1   109.702 ? 16  E 1 c
ATOM 4267 N N    . MET Exp E 13  ? 16.887 30.455 68.766 1   63.629  ? 17  E 1 .
ATOM 4268 C CA   . MET Exp E 13  ? 15.841 30.671 67.772 1   66.382  ? 17  E 1 .
ATOM 4269 C C    . MET Exp E 13  ? 15.466 29.353 67.088 1   71.619  ? 17  E 1 .
ATOM 4270 O O    . MET Exp E 13  ? 14.285 29.074 66.804 1   59.499  ? 17  E 1 .
ATOM 4271 C CB   . MET Exp E 13  ? 16.259 31.689 66.707 1   71.263  ? 17  E 1 .
ATOM 4272 C CG   . MET Exp E 13  ? 15.155 32.025 65.698 1   88.101  ? 17  E 1 .
ATOM 4273 S SD   . MET Exp E 13  ? 15.295 33.61  64.831 1   85.463  ? 17  E 1 .
ATOM 4274 C CE   . MET Exp E 13  ? 16.335 32.989 63.504 1   83.269  ? 17  E 1 .
ATOM 4275 H H    . MET Exp E 13  ? 17.735 30.74  68.582 1   67.385  ? 17  E 1 c
ATOM 4276 H HA   . MET Exp E 13  ? 15.039 31.012 68.244 1   67.699  ? 17  E 1 c
ATOM 4277 H HB3  . MET Exp E 13  ? 17.011 31.32  66.213 1   73.825  ? 17  E 1 c
ATOM 4278 H HB2  . MET Exp E 13  ? 16.555 32.513 67.15  1   73.708  ? 17  E 1 c
ATOM 4279 H HG3  . MET Exp E 13  ? 14.296 32.015 66.166 1   83.212  ? 17  E 1 c
ATOM 4280 H HG2  . MET Exp E 13  ? 15.122 31.318 65.028 1   83.036  ? 17  E 1 c
ATOM 4281 H HE3  . MET Exp E 13  ? 15.987 32.137 63.19  1   82.358  ? 17  E 1 c
ATOM 4282 H HE2  . MET Exp E 13  ? 17.246 32.882 63.833 1   82.985  ? 17  E 1 c
ATOM 4283 H HE1  . MET Exp E 13  ? 16.329 33.63  62.771 1   82.936  ? 17  E 1 c
ATOM 4284 N N    . GLN Exp E 14  ? 16.496 28.53  66.845 1   82.143  ? 18  E 1 .
ATOM 4285 C CA   . GLN Exp E 14  ? 16.285 27.151 66.425 1   80.755  ? 18  E 1 .
ATOM 4286 C C    . GLN Exp E 14  ? 15.285 26.435 67.326 1   82.356  ? 18  E 1 .
ATOM 4287 O O    . GLN Exp E 14  ? 14.479 25.655 66.847 1   88.131  ? 18  E 1 .
ATOM 4288 C CB   . GLN Exp E 14  ? 17.568 26.337 66.486 1   75.1    ? 18  E 1 .
ATOM 4289 C CG   . GLN Exp E 14  ? 18.516 26.621 65.339 1   84.953  ? 18  E 1 .
ATOM 4290 C CD   . GLN Exp E 14  ? 19.348 25.401 65.056 1   90.913  ? 18  E 1 .
ATOM 4291 O OE1  . GLN Exp E 14  ? 18.805 24.281 65.034 1   77.158  ? 18  E 1 .
ATOM 4292 N NE2  . GLN Exp E 14  ? 20.652 25.624 64.893 1   91.716  ? 18  E 1 .
ATOM 4293 H H    . GLN Exp E 14  ? 17.352 28.838 66.934 1   78.869  ? 18  E 1 c
ATOM 4294 H HA   . GLN Exp E 14  ? 15.937 27.15  65.499 1   80.147  ? 18  E 1 c
ATOM 4295 H HB3  . GLN Exp E 14  ? 17.333 25.386 66.481 1   78.672  ? 18  E 1 c
ATOM 4296 H HB2  . GLN Exp E 14  ? 18.022 26.522 67.326 1   78.826  ? 18  E 1 c
ATOM 4297 H HG3  . GLN Exp E 14  ? 19.096 27.365 65.565 1   83.746  ? 18  E 1 c
ATOM 4298 H HG2  . GLN Exp E 14  ? 18.005 26.858 64.539 1   83.611  ? 18  E 1 c
ATOM 4299 H HE21 . GLN Exp E 14  ? 21.07  25.267 64.197 1   91.441  ? 18  E 1 c
ATOM 4300 H HE22 . GLN Exp E 14  ? 21.098 26.118 65.478 1   91.35   ? 18  E 1 c
ATOM 4301 N N    . GLN Exp E 15  ? 15.345 26.717 68.629 1   86.842  ? 19  E 1 .
ATOM 4302 C CA   . GLN Exp E 15  ? 14.535 26.032 69.612 1   81.56   ? 19  E 1 .
ATOM 4303 C C    . GLN Exp E 15  ? 13.083 26.407 69.387 1   90.216  ? 19  E 1 .
ATOM 4304 O O    . GLN Exp E 15  ? 12.256 25.531 69.131 1   100.446 ? 19  E 1 .
ATOM 4305 C CB   . GLN Exp E 15  ? 15.003 26.404 71.018 1   85.182  ? 19  E 1 .
ATOM 4306 C CG   . GLN Exp E 15  ? 15.121 25.203 71.942 1   93.951  ? 19  E 1 .
ATOM 4307 C CD   . GLN Exp E 15  ? 15.313 23.922 71.164 1   107.609 ? 19  E 1 .
ATOM 4308 O OE1  . GLN Exp E 15  ? 16.126 23.849 70.234 1   118.43  ? 19  E 1 .
ATOM 4309 N NE2  . GLN Exp E 15  ? 14.525 22.913 71.51  1   120.413 ? 19  E 1 .
ATOM 4310 H H    . GLN Exp E 15  ? 15.929 27.358 68.916 1   84.389  ? 19  E 1 c
ATOM 4311 H HA   . GLN Exp E 15  ? 14.625 25.063 69.46  1   85.306  ? 19  E 1 c
ATOM 4312 H HB3  . GLN Exp E 15  ? 14.371 27.044 71.408 1   86.306  ? 19  E 1 c
ATOM 4313 H HB2  . GLN Exp E 15  ? 15.875 26.845 70.961 1   86.313  ? 19  E 1 c
ATOM 4314 H HG3  . GLN Exp E 15  ? 14.31  25.131 72.489 1   94.932  ? 19  E 1 c
ATOM 4315 H HG2  . GLN Exp E 15  ? 15.883 25.33  72.547 1   94.819  ? 19  E 1 c
ATOM 4316 H HE21 . GLN Exp E 15  ? 14.103 22.447 70.884 1   116.316 ? 19  E 1 c
ATOM 4317 H HE22 . GLN Exp E 15  ? 14.422 22.706 72.366 1   116.316 ? 19  E 1 c
ATOM 4318 N N    . ASP Exp E 16  ? 12.801 27.714 69.448 1   88.651  ? 20  E 1 .
ATOM 4319 C CA   . ASP Exp E 16  ? 11.433 28.18  69.327 1   91.583  ? 20  E 1 .
ATOM 4320 C C    . ASP Exp E 16  ? 10.83  27.692 68.023 1   84.338  ? 20  E 1 .
ATOM 4321 O O    . ASP Exp E 16  ? 9.608  27.605 67.905 1   80.805  ? 20  E 1 .
ATOM 4322 C CB   . ASP Exp E 16  ? 11.344 29.684 69.446 1   90.585  ? 20  E 1 .
ATOM 4323 C CG   . ASP Exp E 16  ? 11.488 30.175 70.869 1   103.633 ? 20  E 1 .
ATOM 4324 O OD1  . ASP Exp E 16  ? 11.285 29.362 71.815 1   97.811  ? 20  E 1 .
ATOM 4325 O OD2  . ASP Exp E 16  ? 11.844 31.349 70.996 1   129.881 ? 20  E 1 .
ATOM 4326 H H    . ASP Exp E 16  ? 13.472 28.323 69.569 1   89.615  ? 20  E 1 c
ATOM 4327 H HA   . ASP Exp E 16  ? 10.914 27.793 70.065 1   89.704  ? 20  E 1 c
ATOM 4328 H HB3  . ASP Exp E 16  ? 10.477 29.986 69.101 1   93.648  ? 20  E 1 c
ATOM 4329 H HB2  . ASP Exp E 16  ? 12.049 30.093 68.901 1   93.819  ? 20  E 1 c
ATOM 4330 N N    . ALA Exp E 17  ? 11.704 27.397 67.058 1   74.316  ? 21  E 1 .
ATOM 4331 C CA   . ALA Exp E 17  ? 11.276 26.784 65.819 1   69.228  ? 21  E 1 .
ATOM 4332 C C    . ALA Exp E 17  ? 10.706 25.399 66.097 1   70.451  ? 21  E 1 .
ATOM 4333 O O    . ALA Exp E 17  ? 9.541  25.157 65.812 1   90.14   ? 21  E 1 .
ATOM 4334 C CB   . ALA Exp E 17  ? 12.427 26.737 64.865 1   76.473  ? 21  E 1 .
ATOM 4335 H H    . ALA Exp E 17  ? 12.587 27.61  67.163 1   75.679  ? 21  E 1 c
ATOM 4336 H HA   . ALA Exp E 17  ? 10.552 27.346 65.428 1   71.775  ? 21  E 1 c
ATOM 4337 H HB3  . ALA Exp E 17  ? 12.112 26.931 63.966 1   74.216  ? 21  E 1 c
ATOM 4338 H HB2  . ALA Exp E 17  ? 12.831 25.853 64.876 1   74.242  ? 21  E 1 c
ATOM 4339 H HB1  . ALA Exp E 17  ? 13.094 27.397 65.117 1   74.161  ? 21  E 1 c
ATOM 4340 N N    . VAL Exp E 18  ? 11.523 24.506 66.665 1   72.245  ? 22  E 1 .
ATOM 4341 C CA   . VAL Exp E 18  ? 11.076 23.177 67.047 1   77.544  ? 22  E 1 .
ATOM 4342 C C    . VAL Exp E 18  ? 9.953  23.284 68.068 1   95.487  ? 22  E 1 .
ATOM 4343 O O    . VAL Exp E 18  ? 8.906  22.656 67.906 1   104.237 ? 22  E 1 .
ATOM 4344 C CB   . VAL Exp E 18  ? 12.223 22.346 67.637 1   71.234  ? 22  E 1 .
ATOM 4345 C CG1  . VAL Exp E 18  ? 11.754 20.947 68.022 1   70.345  ? 22  E 1 .
ATOM 4346 C CG2  . VAL Exp E 18  ? 13.4   22.299 66.677 1   76.097  ? 22  E 1 .
ATOM 4347 H H    . VAL Exp E 18  ? 12.389 24.744 66.836 1   73      ? 22  E 1 c
ATOM 4348 H HA   . VAL Exp E 18  ? 10.736 22.723 66.251 1   78.398  ? 22  E 1 c
ATOM 4349 H HB   . VAL Exp E 18  ? 12.521 22.803 68.459 1   73.329  ? 22  E 1 c
ATOM 4350 H HG11 . VAL Exp E 18  ? 11.162 20.601 67.333 1   70.712  ? 22  E 1 c
ATOM 4351 H HG12 . VAL Exp E 18  ? 11.278 20.984 68.868 1   70.766  ? 22  E 1 c
ATOM 4352 H HG13 . VAL Exp E 18  ? 12.523 20.358 68.112 1   70.818  ? 22  E 1 c
ATOM 4353 H HG21 . VAL Exp E 18  ? 13.881 21.462 66.788 1   74.588  ? 22  E 1 c
ATOM 4354 H HG22 . VAL Exp E 18  ? 14     23.041 66.862 1   74.674  ? 22  E 1 c
ATOM 4355 H HG23 . VAL Exp E 18  ? 13.077 22.366 65.762 1   74.645  ? 22  E 1 c
ATOM 4356 N N    . ASP Exp E 19  ? 10.213 24.067 69.125 1   105.838 ? 23  E 1 .
ATOM 4357 C CA   . ASP Exp E 19  ? 9.352  24.125 70.294 1   104.505 ? 23  E 1 .
ATOM 4358 C C    . ASP Exp E 19  ? 7.916  24.421 69.881 1   102.415 ? 23  E 1 .
ATOM 4359 O O    . ASP Exp E 19  ? 6.994  23.718 70.288 1   112.321 ? 23  E 1 .
ATOM 4360 C CB   . ASP Exp E 19  ? 9.867  25.122 71.317 1   107.73  ? 23  E 1 .
ATOM 4361 C CG   . ASP Exp E 19  ? 10.861 24.56  72.326 1   121.39  ? 23  E 1 .
ATOM 4362 O OD1  . ASP Exp E 19  ? 10.863 23.326 72.52  1   118.536 ? 23  E 1 .
ATOM 4363 O OD2  . ASP Exp E 19  ? 11.625 25.363 72.917 1   133.193 ? 23  E 1 .
ATOM 4364 H H    . ASP Exp E 19  ? 10.967 24.583 69.116 1   102.52  ? 23  E 1 c
ATOM 4365 H HA   . ASP Exp E 19  ? 9.363  23.237 70.717 1   105.167 ? 23  E 1 c
ATOM 4366 H HB3  . ASP Exp E 19  ? 9.105  25.482 71.817 1   109.86  ? 23  E 1 c
ATOM 4367 H HB2  . ASP Exp E 19  ? 10.293 25.868 70.85  1   109.646 ? 23  E 1 c
ATOM 4368 N N    . CYS Exp E 20  ? 7.729  25.439 69.041 1   91.009  ? 24  E 1 .
ATOM 4369 C CA   . CYS Exp E 20  ? 6.389  25.923 68.762 1   90.292  ? 24  E 1 .
ATOM 4370 C C    . CYS Exp E 20  ? 5.803  25.171 67.57  1   70.89   ? 24  E 1 .
ATOM 4371 O O    . CYS Exp E 20  ? 4.597  25.089 67.391 1   69.628  ? 24  E 1 .
ATOM 4372 C CB   . CYS Exp E 20  ? 6.374  27.44  68.601 1   95.081  ? 24  E 1 .
ATOM 4373 S SG   . CYS Exp E 20  ? 6.154  27.934 66.886 1   77.645  ? 24  E 1 .
ATOM 4374 H H    . CYS Exp E 20  ? 8.444  25.843 68.64  1   93.418  ? 24  E 1 c
ATOM 4375 H HA   . CYS Exp E 20  ? 5.827  25.721 69.553 1   87.534  ? 24  E 1 c
ATOM 4376 H HB3  . CYS Exp E 20  ? 7.219  27.815 68.934 1   90.326  ? 24  E 1 c
ATOM 4377 H HB2  . CYS Exp E 20  ? 5.639  27.817 69.135 1   90.349  ? 24  E 1 c
ATOM 4378 H HG   . CYS Exp E 20  ? 6.268  29.102 66.929 0   77.51   ? 24  E 1 c
ATOM 4379 N N    . ALA Exp E 21  ? 6.668  24.587 66.759 1   73.999  ? 25  E 1 .
ATOM 4380 C CA   . ALA Exp E 21  ? 6.227  23.556 65.833 1   88.733  ? 25  E 1 .
ATOM 4381 C C    . ALA Exp E 21  ? 5.525  22.421 66.585 1   83.145  ? 25  E 1 .
ATOM 4382 O O    . ALA Exp E 21  ? 4.337  22.153 66.348 1   59.212  ? 25  E 1 .
ATOM 4383 C CB   . ALA Exp E 21  ? 7.414  23.06  65.037 1   94.68   ? 25  E 1 .
ATOM 4384 H H    . ALA Exp E 21  ? 7.546  24.841 66.76  1   76.836  ? 25  E 1 c
ATOM 4385 H HA   . ALA Exp E 21  ? 5.568  23.964 65.212 1   85.119  ? 25  E 1 c
ATOM 4386 H HB3  . ALA Exp E 21  ? 7.166  22.26  64.546 1   92.478  ? 25  E 1 c
ATOM 4387 H HB2  . ALA Exp E 21  ? 8.149  22.853 65.635 1   92.582  ? 25  E 1 c
ATOM 4388 H HB1  . ALA Exp E 21  ? 7.695  23.747 64.411 1   92.321  ? 25  E 1 c
ATOM 4389 N N    . THR Exp E 22  ? 6.274  21.798 67.517 1   85.923  ? 26  E 1 .
ATOM 4390 C CA   . THR Exp E 22  ? 5.781  20.71  68.352 1   79.42   ? 26  E 1 .
ATOM 4391 C C    . THR Exp E 22  ? 4.372  21.025 68.829 1   72.579  ? 26  E 1 .
ATOM 4392 O O    . THR Exp E 22  ? 3.549  20.132 68.994 1   77.036  ? 26  E 1 .
ATOM 4393 C CB   . THR Exp E 22  ? 6.703  20.46  69.541 1   78.69   ? 26  E 1 .
ATOM 4394 O OG1  . THR Exp E 22  ? 8.012  20.875 69.166 1   95.314  ? 26  E 1 .
ATOM 4395 C CG2  . THR Exp E 22  ? 6.774  18.991 69.911 1   88.613  ? 26  E 1 .
ATOM 4396 H H    . THR Exp E 22  ? 7.138  22.072 67.635 1   83.806  ? 26  E 1 c
ATOM 4397 H HA   . THR Exp E 22  ? 5.751  19.895 67.805 1   79.235  ? 26  E 1 c
ATOM 4398 H HB   . THR Exp E 22  ? 6.403  20.984 70.322 1   83.572  ? 26  E 1 c
ATOM 4399 H HG1  . THR Exp E 22  ? 8.39   20.562 68.633 0   126.19  ? 26  E 1 c
ATOM 4400 H HG21 . THR Exp E 22  ? 7.323  18.882 70.706 1   85.551  ? 26  E 1 c
ATOM 4401 H HG22 . THR Exp E 22  ? 7.167  18.489 69.177 1   85.551  ? 26  E 1 c
ATOM 4402 H HG23 . THR Exp E 22  ? 5.879  18.657 70.088 1   85.551  ? 26  E 1 c
ATOM 4403 N N    . GLN Exp E 23  ? 4.098  22.312 69.013 1   75.318  ? 27  E 1 .
ATOM 4404 C CA   . GLN Exp E 23  ? 2.829  22.742 69.562 1   74.723  ? 27  E 1 .
ATOM 4405 C C    . GLN Exp E 23  ? 1.74   22.725 68.503 1   64.814  ? 27  E 1 .
ATOM 4406 O O    . GLN Exp E 23  ? 0.659  22.197 68.74  1   72.903  ? 27  E 1 .
ATOM 4407 C CB   . GLN Exp E 23  ? 3.036  24.132 70.138 1   82.951  ? 27  E 1 .
ATOM 4408 C CG   . GLN Exp E 23  ? 2.071  24.464 71.262 1   98.446  ? 27  E 1 .
ATOM 4409 C CD   . GLN Exp E 23  ? 2.649  25.509 72.186 1   117.013 ? 27  E 1 .
ATOM 4410 O OE1  . GLN Exp E 23  ? 3.624  26.194 71.86  1   99.708  ? 27  E 1 .
ATOM 4411 N NE2  . GLN Exp E 23  ? 2.048  25.64  73.356 1   147.718 ? 27  E 1 .
ATOM 4412 H H    . GLN Exp E 23  ? 4.73   22.943 68.821 1   74.809  ? 27  E 1 c
ATOM 4413 H HA   . GLN Exp E 23  ? 2.575  22.121 70.292 1   74.565  ? 27  E 1 c
ATOM 4414 H HB3  . GLN Exp E 23  ? 2.932  24.793 69.423 1   83.788  ? 27  E 1 c
ATOM 4415 H HB2  . GLN Exp E 23  ? 3.954  24.199 70.475 1   84.25   ? 27  E 1 c
ATOM 4416 H HG3  . GLN Exp E 23  ? 1.873  23.653 71.777 1   98.171  ? 27  E 1 c
ATOM 4417 H HG2  . GLN Exp E 23  ? 1.229  24.796 70.884 1   98.448  ? 27  E 1 c
ATOM 4418 H HE21 . GLN Exp E 23  ? 2.53   25.765 74.09  1   137.397 ? 27  E 1 c
ATOM 4419 H HE22 . GLN Exp E 23  ? 1.163  25.603 73.406 1   137.156 ? 27  E 1 c
ATOM 4420 N N    . ALA Exp E 24  ? 2.026  23.333 67.352 1   64.775  ? 28  E 1 .
ATOM 4421 C CA   . ALA Exp E 24  ? 1.086  23.339 66.245 1   76.509  ? 28  E 1 .
ATOM 4422 C C    . ALA Exp E 24  ? 0.697  21.913 65.877 1   84.28   ? 28  E 1 .
ATOM 4423 O O    . ALA Exp E 24  ? -0.446 21.642 65.487 1   69.011  ? 28  E 1 .
ATOM 4424 C CB   . ALA Exp E 24  ? 1.709  24.015 65.061 1   88.167  ? 28  E 1 .
ATOM 4425 H H    . ALA Exp E 24  ? 2.828  23.759 67.255 1   67.612  ? 28  E 1 c
ATOM 4426 H HA   . ALA Exp E 24  ? 0.266  23.834 66.523 1   77.381  ? 28  E 1 c
ATOM 4427 H HB3  . ALA Exp E 24  ? 1.016  24.292 64.439 1   84.096  ? 28  E 1 c
ATOM 4428 H HB2  . ALA Exp E 24  ? 2.314  23.399 64.616 1   83.825  ? 28  E 1 c
ATOM 4429 H HB1  . ALA Exp E 24  ? 2.209  24.792 65.351 1   83.781  ? 28  E 1 c
ATOM 4430 N N    . LEU Exp E 25  ? 1.683  21.017 66.003 1   91.601  ? 29  E 1 .
ATOM 4431 C CA   . LEU Exp E 25  ? 1.51   19.639 65.582 1   100.001 ? 29  E 1 .
ATOM 4432 C C    . LEU Exp E 25  ? 0.414  18.955 66.401 1   98.397  ? 29  E 1 .
ATOM 4433 O O    . LEU Exp E 25  ? -0.345 18.141 65.876 1   81.404  ? 29  E 1 .
ATOM 4434 C CB   . LEU Exp E 25  ? 2.838  18.91  65.721 1   110.895 ? 29  E 1 .
ATOM 4435 C CG   . LEU Exp E 25  ? 3.059  17.814 64.678 1   119.84  ? 29  E 1 .
ATOM 4436 C CD1  . LEU Exp E 25  ? 3.386  18.459 63.339 1   97.262  ? 29  E 1 .
ATOM 4437 C CD2  . LEU Exp E 25  ? 4.131  16.813 65.126 1   131.653 ? 29  E 1 .
ATOM 4438 H H    . LEU Exp E 25  ? 2.49   21.276 66.346 1   91.325  ? 29  E 1 c
ATOM 4439 H HA   . LEU Exp E 25  ? 1.236  19.638 64.632 1   99.707  ? 29  E 1 c
ATOM 4440 H HB3  . LEU Exp E 25  ? 2.879  18.504 66.618 1   110.286 ? 29  E 1 c
ATOM 4441 H HB2  . LEU Exp E 25  ? 3.568  19.567 65.645 1   109.838 ? 29  E 1 c
ATOM 4442 H HG   . LEU Exp E 25  ? 2.207  17.316 64.574 1   115.597 ? 29  E 1 c
ATOM 4443 H HD11 . LEU Exp E 25  ? 2.579  18.846 62.958 1   103.437 ? 29  E 1 c
ATOM 4444 H HD12 . LEU Exp E 25  ? 3.737  17.786 62.732 1   103.462 ? 29  E 1 c
ATOM 4445 H HD13 . LEU Exp E 25  ? 4.05   19.157 63.465 1   103.524 ? 29  E 1 c
ATOM 4446 H HD21 . LEU Exp E 25  ? 3.885  16.436 65.988 1   127.945 ? 29  E 1 c
ATOM 4447 H HD22 . LEU Exp E 25  ? 4.987  17.266 65.204 1   128.044 ? 29  E 1 c
ATOM 4448 H HD23 . LEU Exp E 25  ? 4.202  16.098 64.47  1   128.044 ? 29  E 1 c
ATOM 4449 N N    . GLU Exp E 26  ? 0.3    19.335 67.676 1   101.739 ? 30  E 1 .
ATOM 4450 C CA   . GLU Exp E 26  ? -0.682 18.736 68.57  1   95.4    ? 30  E 1 .
ATOM 4451 C C    . GLU Exp E 26  ? -1.981 19.539 68.612 1   82.867  ? 30  E 1 .
ATOM 4452 O O    . GLU Exp E 26  ? -3.02  18.977 68.937 1   97.192  ? 30  E 1 .
ATOM 4453 C CB   . GLU Exp E 26  ? -0.117 18.496 69.971 1   90.401  ? 30  E 1 .
ATOM 4454 C CG   . GLU Exp E 26  ? 0.646  19.666 70.581 1   94.354  ? 30  E 1 .
ATOM 4455 C CD   . GLU Exp E 26  ? -0.151 20.473 71.574 1   105.801 ? 30  E 1 .
ATOM 4456 O OE1  . GLU Exp E 26  ? -0.789 19.774 72.371 1   119.576 ? 30  E 1 .
ATOM 4457 O OE2  . GLU Exp E 26  ? -0.1   21.73  71.61  1   127.504 ? 30  E 1 .
ATOM 4458 H H    . GLU Exp E 26  ? 0.854  19.985 67.999 1   98.802  ? 30  E 1 c
ATOM 4459 H HA   . GLU Exp E 26  ? -0.905 17.84  68.209 1   93.134  ? 30  E 1 c
ATOM 4460 H HB3  . GLU Exp E 26  ? 0.495  17.731 69.929 1   92.452  ? 30  E 1 c
ATOM 4461 H HB2  . GLU Exp E 26  ? -0.856 18.247 70.564 1   92.586  ? 30  E 1 c
ATOM 4462 H HG3  . GLU Exp E 26  ? 0.951  20.261 69.871 1   95.666  ? 30  E 1 c
ATOM 4463 H HG2  . GLU Exp E 26  ? 1.444  19.32  71.035 1   95.896  ? 30  E 1 c
ATOM 4464 N N    . LYS Exp E 27  ? -1.93  20.832 68.289 1   66.161  ? 31  E 1 .
ATOM 4465 C CA   . LYS Exp E 27  ? -3.107 21.672 68.359 1   69.438  ? 31  E 1 .
ATOM 4466 C C    . LYS Exp E 27  ? -3.965 21.511 67.108 1   71.839  ? 31  E 1 .
ATOM 4467 O O    . LYS Exp E 27  ? -5.192 21.566 67.18  1   77.555  ? 31  E 1 .
ATOM 4468 C CB   . LYS Exp E 27  ? -2.692 23.134 68.533 1   95.353  ? 31  E 1 .
ATOM 4469 C CG   . LYS Exp E 27  ? -2.447 23.572 69.974 1   128.119 ? 31  E 1 .
ATOM 4470 C CD   . LYS Exp E 27  ? -3.7   23.955 70.764 1   138.211 ? 31  E 1 .
ATOM 4471 C CE   . LYS Exp E 27  ? -3.449 24.082 72.249 1   122.858 ? 31  E 1 .
ATOM 4472 N NZ   . LYS Exp E 27  ? -4.628 24.547 72.988 1   105.894 ? 31  E 1 .
ATOM 4473 H H    . LYS Exp E 27  ? -1.138 21.201 68.021 1   71.481  ? 31  E 1 c
ATOM 4474 H HA   . LYS Exp E 27  ? -3.641 21.4   69.148 1   73.536  ? 31  E 1 c
ATOM 4475 H HB3  . LYS Exp E 27  ? -3.394 23.705 68.155 1   94.678  ? 31  E 1 c
ATOM 4476 H HB2  . LYS Exp E 27  ? -1.873 23.293 68.018 1   94.478  ? 31  E 1 c
ATOM 4477 H HG3  . LYS Exp E 27  ? -1.834 24.339 69.963 1   121.77  ? 31  E 1 c
ATOM 4478 H HG2  . LYS Exp E 27  ? -1.993 22.84  70.443 1   121.793 ? 31  E 1 c
ATOM 4479 H HD3  . LYS Exp E 27  ? -4.391 23.274 70.614 1   132.236 ? 31  E 1 c
ATOM 4480 H HD2  . LYS Exp E 27  ? -4.042 24.81  70.423 1   132.236 ? 31  E 1 c
ATOM 4481 H HE3  . LYS Exp E 27  ? -2.719 24.71  72.397 1   121.811 ? 31  E 1 c
ATOM 4482 H HE2  . LYS Exp E 27  ? -3.177 23.217 72.604 1   121.811 ? 31  E 1 c
ATOM 4483 H HZ1  . LYS Exp E 27  ? -5.346 24.038 72.771 1   110.991 ? 31  E 1 c
ATOM 4484 H HZ2  . LYS Exp E 27  ? -4.801 25.411 72.776 1   110.885 ? 31  E 1 c
ATOM 4485 H HZ3  . LYS Exp E 27  ? -4.476 24.484 73.879 1   110.885 ? 31  E 1 c
ATOM 4486 N N    . TYR Exp E 28  ? -3.314 21.358 65.952 1   76.057  ? 32  E 1 .
ATOM 4487 C CA   . TYR Exp E 28  ? -4.021 21.285 64.685 1   70.6    ? 32  E 1 .
ATOM 4488 C C    . TYR Exp E 28  ? -3.676 19.979 63.964 1   71.923  ? 32  E 1 .
ATOM 4489 O O    . TYR Exp E 28  ? -2.586 19.402 64.099 1   44.851  ? 32  E 1 .
ATOM 4490 C CB   . TYR Exp E 28  ? -3.681 22.471 63.782 1   69.354  ? 32  E 1 .
ATOM 4491 C CG   . TYR Exp E 28  ? -4.118 23.812 64.324 1   61.429  ? 32  E 1 .
ATOM 4492 C CD1  . TYR Exp E 28  ? -5.42  24.229 64.172 1   72.416  ? 32  E 1 .
ATOM 4493 C CD2  . TYR Exp E 28  ? -3.22  24.663 64.954 1   68.337  ? 32  E 1 .
ATOM 4494 C CE1  . TYR Exp E 28  ? -5.828 25.46  64.66  1   97.839  ? 32  E 1 .
ATOM 4495 C CE2  . TYR Exp E 28  ? -3.618 25.876 65.484 1   79.744  ? 32  E 1 .
ATOM 4496 C CZ   . TYR Exp E 28  ? -4.929 26.281 65.328 1   98.323  ? 32  E 1 .
ATOM 4497 O OH   . TYR Exp E 28  ? -5.324 27.485 65.835 1   110.69  ? 32  E 1 .
ATOM 4498 H H    . TYR Exp E 28  ? -2.402 21.303 65.95  1   73.691  ? 32  E 1 c
ATOM 4499 H HA   . TYR Exp E 28  ? -4.998 21.298 64.865 1   71.756  ? 32  E 1 c
ATOM 4500 H HB3  . TYR Exp E 28  ? -4.107 22.329 62.908 1   67.741  ? 32  E 1 c
ATOM 4501 H HB2  . TYR Exp E 28  ? -2.708 22.487 63.642 1   67.726  ? 32  E 1 c
ATOM 4502 H HD1  . TYR Exp E 28  ? -6.041 23.672 63.73  1   74.957  ? 32  E 1 c
ATOM 4503 H HD2  . TYR Exp E 28  ? -2.328 24.379 65.079 1   69.519  ? 32  E 1 c
ATOM 4504 H HE1  . TYR Exp E 28  ? -6.726 25.727 64.568 1   90.865  ? 32  E 1 c
ATOM 4505 H HE2  . TYR Exp E 28  ? -2.997 26.434 65.921 1   80.791  ? 32  E 1 c
ATOM 4506 H HH   . TYR Exp E 28  ? -6.21  27.554 65.563 0   122.67  ? 32  E 1 c
ATOM 4507 N N    . ASN Exp E 29  ? -4.651 19.539 63.164 1   79.197  ? 33  E 1 .
ATOM 4508 C CA   . ASN Exp E 29  ? -4.547 18.298 62.431 1   77.648  ? 33  E 1 .
ATOM 4509 C C    . ASN Exp E 29  ? -4.101 18.583 61.004 1   71.339  ? 33  E 1 .
ATOM 4510 O O    . ASN Exp E 29  ? -3.452 17.73  60.402 1   68.494  ? 33  E 1 .
ATOM 4511 C CB   . ASN Exp E 29  ? -5.859 17.524 62.459 1   91.621  ? 33  E 1 .
ATOM 4512 C CG   . ASN Exp E 29  ? -5.797 16.232 63.241 1   114.227 ? 33  E 1 .
ATOM 4513 O OD1  . ASN Exp E 29  ? -4.913 16.029 64.089 1   108.45  ? 33  E 1 .
ATOM 4514 N ND2  . ASN Exp E 29  ? -6.745 15.343 62.965 1   130.314 ? 33  E 1 .
ATOM 4515 H H    . ASN Exp E 29  ? -5.414 20.036 63.078 1   77.055  ? 33  E 1 c
ATOM 4516 H HA   . ASN Exp E 29  ? -3.861 17.74  62.861 1   79.133  ? 33  E 1 c
ATOM 4517 H HB3  . ASN Exp E 29  ? -6.126 17.322 61.541 1   92.648  ? 33  E 1 c
ATOM 4518 H HB2  . ASN Exp E 29  ? -6.549 18.093 62.853 1   92.595  ? 33  E 1 c
ATOM 4519 H HD21 . ASN Exp E 29  ? -6.54  14.482 62.904 1   125.132 ? 33  E 1 c
ATOM 4520 H HD22 . ASN Exp E 29  ? -7.581 15.612 62.842 1   125.132 ? 33  E 1 c
ATOM 4521 N N    . ILE Exp E 30  ? -4.441 19.766 60.466 1   73.05   ? 34  E 1 .
ATOM 4522 C CA   . ILE Exp E 30  ? -4.205 20.019 59.05  1   80.292  ? 34  E 1 .
ATOM 4523 C C    . ILE Exp E 30  ? -2.929 20.832 58.804 1   83.367  ? 34  E 1 .
ATOM 4524 O O    . ILE Exp E 30  ? -2.679 21.837 59.463 1   92.327  ? 34  E 1 .
ATOM 4525 C CB   . ILE Exp E 30  ? -5.432 20.687 58.42  1   73.295  ? 34  E 1 .
ATOM 4526 C CG1  . ILE Exp E 30  ? -6.682 19.865 58.7   1   65.49   ? 34  E 1 .
ATOM 4527 C CG2  . ILE Exp E 30  ? -5.196 20.906 56.923 1   77.779  ? 34  E 1 .
ATOM 4528 C CD1  . ILE Exp E 30  ? -7.866 20.194 57.807 1   64.588  ? 34  E 1 .
ATOM 4529 H H    . ILE Exp E 30  ? -4.823 20.419 60.978 1   74.278  ? 34  E 1 c
ATOM 4530 H HA   . ILE Exp E 30  ? -4.093 19.154 58.612 1   77.842  ? 34  E 1 c
ATOM 4531 H HB   . ILE Exp E 30  ? -5.548 21.562 58.841 1   73.795  ? 34  E 1 c
ATOM 4532 H HG12 . ILE Exp E 30  ? -6.947 20.005 59.632 1   67.039  ? 34  E 1 c
ATOM 4533 H HG13 . ILE Exp E 30  ? -6.464 18.917 58.592 1   67.122  ? 34  E 1 c
ATOM 4534 H HG21 . ILE Exp E 30  ? -5.976 21.328 56.525 1   76.15   ? 34  E 1 c
ATOM 4535 H HG22 . ILE Exp E 30  ? -5.036 20.051 56.49  1   76.339  ? 34  E 1 c
ATOM 4536 H HG23 . ILE Exp E 30  ? -4.426 21.481 56.794 1   76.217  ? 34  E 1 c
ATOM 4537 H HD11 . ILE Exp E 30  ? -7.945 21.162 57.708 1   65.015  ? 34  E 1 c
ATOM 4538 H HD12 . ILE Exp E 30  ? -8.682 19.843 58.211 1   64.915  ? 34  E 1 c
ATOM 4539 H HD13 . ILE Exp E 30  ? -7.74  19.787 56.928 1   65.014  ? 34  E 1 c
ATOM 4540 N N    . GLU Exp E 31  ? -2.177 20.417 57.777 1   74.865  ? 35  E 1 .
ATOM 4541 C CA   . GLU Exp E 31  ? -0.908 21.029 57.415 1   71.011  ? 35  E 1 .
ATOM 4542 C C    . GLU Exp E 31  ? -1.012 22.549 57.415 1   60.098  ? 35  E 1 .
ATOM 4543 O O    . GLU Exp E 31  ? -0.135 23.199 57.961 1   63.201  ? 35  E 1 .
ATOM 4544 C CB   . GLU Exp E 31  ? -0.391 20.644 56.021 1   80.483  ? 35  E 1 .
ATOM 4545 C CG   . GLU Exp E 31  ? 0.226  19.249 55.904 1   83.553  ? 35  E 1 .
ATOM 4546 C CD   . GLU Exp E 31  ? -0.742 18.072 55.816 1   88.158  ? 35  E 1 .
ATOM 4547 O OE1  . GLU Exp E 31  ? -1.995 18.266 55.795 1   83.054  ? 35  E 1 .
ATOM 4548 O OE2  . GLU Exp E 31  ? -0.21  16.932 55.784 1   83.685  ? 35  E 1 .
ATOM 4549 H H    . GLU Exp E 31  ? -2.477 19.717 57.271 1   76.002  ? 35  E 1 c
ATOM 4550 H HA   . GLU Exp E 31  ? -0.232 20.758 58.086 1   71.123  ? 35  E 1 c
ATOM 4551 H HB3  . GLU Exp E 31  ? 0.283  21.299 55.745 1   78.562  ? 35  E 1 c
ATOM 4552 H HB2  . GLU Exp E 31  ? -1.132 20.701 55.388 1   78.954  ? 35  E 1 c
ATOM 4553 H HG3  . GLU Exp E 31  ? 0.81   19.1   56.678 1   83.624  ? 35  E 1 c
ATOM 4554 H HG2  . GLU Exp E 31  ? 0.797  19.23  55.108 1   83.709  ? 35  E 1 c
ATOM 4555 N N    . LYS Exp E 32  ? -2.049 23.105 56.776 1   57.369  ? 36  E 1 .
ATOM 4556 C CA   . LYS Exp E 32  ? -2.146 24.54  56.527 1   63.713  ? 36  E 1 .
ATOM 4557 C C    . LYS Exp E 32  ? -2.254 25.353 57.816 1   68.184  ? 36  E 1 .
ATOM 4558 O O    . LYS Exp E 32  ? -1.607 26.404 57.924 1   52.365  ? 36  E 1 .
ATOM 4559 C CB   . LYS Exp E 32  ? -3.376 24.923 55.698 1   68.879  ? 36  E 1 .
ATOM 4560 C CG   . LYS Exp E 32  ? -4.708 24.686 56.385 1   72.118  ? 36  E 1 .
ATOM 4561 C CD   . LYS Exp E 32  ? -5.837 25.561 55.868 1   81.421  ? 36  E 1 .
ATOM 4562 C CE   . LYS Exp E 32  ? -6.34  25.114 54.547 1   92.082  ? 36  E 1 .
ATOM 4563 N NZ   . LYS Exp E 32  ? -7.417 25.99  54.088 1   100.256 ? 36  E 1 .
ATOM 4564 H H    . LYS Exp E 32  ? -2.718 22.565 56.468 1   59.864  ? 36  E 1 c
ATOM 4565 H HA   . LYS Exp E 32  ? -1.332 24.826 56.04  1   64.103  ? 36  E 1 c
ATOM 4566 H HB3  . LYS Exp E 32  ? -3.363 24.414 54.861 1   68.627  ? 36  E 1 c
ATOM 4567 H HB2  . LYS Exp E 32  ? -3.311 25.874 55.467 1   68.67   ? 36  E 1 c
ATOM 4568 H HG3  . LYS Exp E 32  ? -4.608 24.848 57.342 1   73.366  ? 36  E 1 c
ATOM 4569 H HG2  . LYS Exp E 32  ? -4.956 23.743 56.266 1   73.382  ? 36  E 1 c
ATOM 4570 H HD3  . LYS Exp E 32  ? -5.522 26.483 55.793 1   81.899  ? 36  E 1 c
ATOM 4571 H HD2  . LYS Exp E 32  ? -6.576 25.545 56.514 1   81.597  ? 36  E 1 c
ATOM 4572 H HE3  . LYS Exp E 32  ? -6.67  24.199 54.606 1   91.254  ? 36  E 1 c
ATOM 4573 H HE2  . LYS Exp E 32  ? -5.616 25.144 53.898 1   90.953  ? 36  E 1 c
ATOM 4574 H HZ1  . LYS Exp E 32  ? -7.11  26.84  54.013 1   97.54   ? 36  E 1 c
ATOM 4575 H HZ2  . LYS Exp E 32  ? -8.101 25.973 54.682 1   97.54   ? 36  E 1 c
ATOM 4576 H HZ3  . LYS Exp E 32  ? -7.717 25.71  53.281 1   97.618  ? 36  E 1 c
ATOM 4577 N N    . ASP Exp E 33  ? -3.045 24.831 58.777 1   75.862  ? 37  E 1 .
ATOM 4578 C CA   . ASP Exp E 33  ? -3.278 25.455 60.074 1   70.41   ? 37  E 1 .
ATOM 4579 C C    . ASP Exp E 33  ? -2.005 25.407 60.919 1   67.695  ? 37  E 1 .
ATOM 4580 O O    . ASP Exp E 33  ? -1.692 26.387 61.592 1   62.766  ? 37  E 1 .
ATOM 4581 C CB   . ASP Exp E 33  ? -4.414 24.784 60.827 1   73.782  ? 37  E 1 .
ATOM 4582 C CG   . ASP Exp E 33  ? -5.769 24.829 60.136 1   76.315  ? 37  E 1 .
ATOM 4583 O OD1  . ASP Exp E 33  ? -6.111 25.929 59.648 1   71.899  ? 37  E 1 .
ATOM 4584 O OD2  . ASP Exp E 33  ? -6.476 23.779 60.129 1   68.085  ? 37  E 1 .
ATOM 4585 H H    . ASP Exp E 33  ? -3.429 24.017 58.624 1   72.564  ? 37  E 1 c
ATOM 4586 H HA   . ASP Exp E 33  ? -3.52  26.397 59.925 1   71.546  ? 37  E 1 c
ATOM 4587 H HB3  . ASP Exp E 33  ? -4.506 25.218 61.701 1   73.52   ? 37  E 1 c
ATOM 4588 H HB2  . ASP Exp E 33  ? -4.179 23.845 60.98  1   73.522  ? 37  E 1 c
ATOM 4589 N N    . ILE Exp E 34  ? -1.262 24.286 60.851 1   65.055  ? 38  E 1 .
ATOM 4590 C CA   . ILE Exp E 34  ? 0.06   24.172 61.459 1   65.666  ? 38  E 1 .
ATOM 4591 C C    . ILE Exp E 34  ? 0.94   25.297 60.951 1   68.953  ? 38  E 1 .
ATOM 4592 O O    . ILE Exp E 34  ? 1.505  26.041 61.741 1   62.649  ? 38  E 1 .
ATOM 4593 C CB   . ILE Exp E 34  ? 0.75   22.842 61.142 1   65.552  ? 38  E 1 .
ATOM 4594 C CG1  . ILE Exp E 34  ? -0.27  21.689 61.141 1   68.698  ? 38  E 1 .
ATOM 4595 C CG2  . ILE Exp E 34  ? 1.965  22.643 62.06  1   61.543  ? 38  E 1 .
ATOM 4596 C CD1  . ILE Exp E 34  ? 0.211  20.402 61.779 1   77.501  ? 38  E 1 .
ATOM 4597 H H    . ILE Exp E 34  ? -1.594 23.572 60.388 1   65.994  ? 38  E 1 c
ATOM 4598 H HA   . ILE Exp E 34  ? -0.034 24.255 62.427 1   66.184  ? 38  E 1 c
ATOM 4599 H HB   . ILE Exp E 34  ? 1.094  22.908 60.231 1   65.464  ? 38  E 1 c
ATOM 4600 H HG12 . ILE Exp E 34  ? -0.519 21.499 60.215 1   70.07   ? 38  E 1 c
ATOM 4601 H HG13 . ILE Exp E 34  ? -1.077 21.98  61.613 1   69.943  ? 38  E 1 c
ATOM 4602 H HG21 . ILE Exp E 34  ? 2.595  22.036 61.638 1   62.963  ? 38  E 1 c
ATOM 4603 H HG22 . ILE Exp E 34  ? 1.676  22.268 62.907 1   63.176  ? 38  E 1 c
ATOM 4604 H HG23 . ILE Exp E 34  ? 2.401  23.497 62.22  1   62.99   ? 38  E 1 c
ATOM 4605 H HD11 . ILE Exp E 34  ? 1.103  20.179 61.451 1   74.625  ? 38  E 1 c
ATOM 4606 H HD12 . ILE Exp E 34  ? -0.405 19.68  61.549 1   74.742  ? 38  E 1 c
ATOM 4607 H HD13 . ILE Exp E 34  ? 0.237  20.505 62.748 1   74.743  ? 38  E 1 c
ATOM 4608 N N    . ALA Exp E 35  ? 1.033  25.395 59.624 1   72.174  ? 39  E 1 .
ATOM 4609 C CA   . ALA Exp E 35  ? 1.832  26.422 58.99  1   78.236  ? 39  E 1 .
ATOM 4610 C C    . ALA Exp E 35  ? 1.5    27.77  59.605 1   65.155  ? 39  E 1 .
ATOM 4611 O O    . ALA Exp E 35  ? 2.374  28.467 60.109 1   71.721  ? 39  E 1 .
ATOM 4612 C CB   . ALA Exp E 35  ? 1.577  26.433 57.504 1   91.224  ? 39  E 1 .
ATOM 4613 H H    . ALA Exp E 35  ? 0.578  24.803 59.098 1   72.73   ? 39  E 1 c
ATOM 4614 H HA   . ALA Exp E 35  ? 2.791  26.224 59.16  1   76.536  ? 39  E 1 c
ATOM 4615 H HB3  . ALA Exp E 35  ? 2.344  26.814 57.046 1   86.354  ? 39  E 1 c
ATOM 4616 H HB2  . ALA Exp E 35  ? 0.79   26.967 57.307 1   86.178  ? 39  E 1 c
ATOM 4617 H HB1  . ALA Exp E 35  ? 1.435  25.525 57.188 1   86.609  ? 39  E 1 c
ATOM 4618 N N    . ALA Exp E 36  ? 0.225  28.123 59.56  1   60.431  ? 40  E 1 .
ATOM 4619 C CA   . ALA Exp E 36  ? -0.159 29.463 59.956 1   64.516  ? 40  E 1 .
ATOM 4620 C C    . ALA Exp E 36  ? 0.161  29.669 61.433 1   66.387  ? 40  E 1 .
ATOM 4621 O O    . ALA Exp E 36  ? 0.548  30.77  61.817 1   71.282  ? 40  E 1 .
ATOM 4622 C CB   . ALA Exp E 36  ? -1.612 29.716 59.628 1   68.004  ? 40  E 1 .
ATOM 4623 H H    . ALA Exp E 36  ? -0.415 27.533 59.281 1   62.902  ? 40  E 1 c
ATOM 4624 H HA   . ALA Exp E 36  ? 0.399  30.102 59.439 1   64.741  ? 40  E 1 c
ATOM 4625 H HB3  . ALA Exp E 36  ? -1.833 30.644 59.815 1   66.972  ? 40  E 1 c
ATOM 4626 H HB2  . ALA Exp E 36  ? -2.175 29.137 60.168 1   66.972  ? 40  E 1 c
ATOM 4627 H HB1  . ALA Exp E 36  ? -1.77  29.532 58.688 1   67.043  ? 40  E 1 c
ATOM 4628 N N    . TYR Exp E 37  ? 0.043  28.607 62.243 1   60.016  ? 41  E 1 .
ATOM 4629 C CA   . TYR Exp E 37  ? 0.385  28.699 63.655 1   69.215  ? 41  E 1 .
ATOM 4630 C C    . TYR Exp E 37  ? 1.832  29.17  63.805 1   65.692  ? 41  E 1 .
ATOM 4631 O O    . TYR Exp E 37  ? 2.094  30.143 64.504 1   72.883  ? 41  E 1 .
ATOM 4632 C CB   . TYR Exp E 37  ? 0.146  27.371 64.388 1   76.725  ? 41  E 1 .
ATOM 4633 C CG   . TYR Exp E 37  ? 0.338  27.429 65.902 1   73.264  ? 41  E 1 .
ATOM 4634 C CD1  . TYR Exp E 37  ? -0.642 27.954 66.72  1   76.241  ? 41  E 1 .
ATOM 4635 C CD2  . TYR Exp E 37  ? 1.496  26.968 66.513 1   66.503  ? 41  E 1 .
ATOM 4636 C CE1  . TYR Exp E 37  ? -0.472 28.02  68.093 1   78.274  ? 41  E 1 .
ATOM 4637 C CE2  . TYR Exp E 37  ? 1.684  27.046 67.875 1   63.662  ? 41  E 1 .
ATOM 4638 C CZ   . TYR Exp E 37  ? 0.693  27.564 68.672 1   65.829  ? 41  E 1 .
ATOM 4639 O OH   . TYR Exp E 37  ? 0.891  27.636 70.013 1   80.016  ? 41  E 1 .
ATOM 4640 H H    . TYR Exp E 37  ? -0.266 27.813 61.913 1   63.553  ? 41  E 1 c
ATOM 4641 H HA   . TYR Exp E 37  ? -0.205 29.385 64.066 1   67.963  ? 41  E 1 c
ATOM 4642 H HB3  . TYR Exp E 37  ? 0.759  26.699 64.02  1   74.093  ? 41  E 1 c
ATOM 4643 H HB2  . TYR Exp E 37  ? -0.771 27.072 64.198 1   74.154  ? 41  E 1 c
ATOM 4644 H HD1  . TYR Exp E 37  ? -1.445 28.27  66.338 1   75.829  ? 41  E 1 c
ATOM 4645 H HD2  . TYR Exp E 37  ? 2.191  26.624 65.976 1   67.725  ? 41  E 1 c
ATOM 4646 H HE1  . TYR Exp E 37  ? -1.152 28.384 68.634 1   74.636  ? 41  E 1 c
ATOM 4647 H HE2  . TYR Exp E 37  ? 2.483  26.733 68.261 1   65.24   ? 41  E 1 c
ATOM 4648 H HH   . TYR Exp E 37  ? -0.016 28.097 70.358 0   102.73  ? 41  E 1 c
ATOM 4649 N N    . ILE Exp E 38  ? 2.76   28.48  63.135 1   61.177  ? 42  E 1 .
ATOM 4650 C CA   . ILE Exp E 38  ? 4.185  28.706 63.318 1   62.016  ? 42  E 1 .
ATOM 4651 C C    . ILE Exp E 38  ? 4.61   30.056 62.727 1   54.246  ? 42  E 1 .
ATOM 4652 O O    . ILE Exp E 38  ? 5.444  30.757 63.291 1   45.959  ? 42  E 1 .
ATOM 4653 C CB   . ILE Exp E 38  ? 4.986  27.54  62.704 1   73.923  ? 42  E 1 .
ATOM 4654 C CG1  . ILE Exp E 38  ? 4.646  26.213 63.383 1   71.281  ? 42  E 1 .
ATOM 4655 C CG2  . ILE Exp E 38  ? 6.495  27.829 62.728 1   83.77   ? 42  E 1 .
ATOM 4656 C CD1  . ILE Exp E 38  ? 5.395  25.012 62.828 1   73.22   ? 42  E 1 .
ATOM 4657 H H    . ILE Exp E 38  ? 2.492  27.847 62.533 1   62.699  ? 42  E 1 c
ATOM 4658 H HA   . ILE Exp E 38  ? 4.367  28.723 64.278 1   62.388  ? 42  E 1 c
ATOM 4659 H HB   . ILE Exp E 38  ? 4.716  27.465 61.768 1   72.627  ? 42  E 1 c
ATOM 4660 H HG12 . ILE Exp E 38  ? 3.686  26.05  63.292 1   72.126  ? 42  E 1 c
ATOM 4661 H HG13 . ILE Exp E 38  ? 4.845  26.292 64.338 1   72.279  ? 42  E 1 c
ATOM 4662 H HG21 . ILE Exp E 38  ? 6.991  27.002 62.62  1   80.525  ? 42  E 1 c
ATOM 4663 H HG22 . ILE Exp E 38  ? 6.735  28.24  63.576 1   80.533  ? 42  E 1 c
ATOM 4664 H HG23 . ILE Exp E 38  ? 6.722  28.435 62.002 1   80.519  ? 42  E 1 c
ATOM 4665 H HD11 . ILE Exp E 38  ? 5.499  25.112 61.863 1   72.75   ? 42  E 1 c
ATOM 4666 H HD12 . ILE Exp E 38  ? 4.894  24.197 63.017 1   72.814  ? 42  E 1 c
ATOM 4667 H HD13 . ILE Exp E 38  ? 6.276  24.955 63.243 1   73.03   ? 42  E 1 c
ATOM 4668 N N    . LYS Exp E 39  ? 4.068  30.395 61.56  1   53.123  ? 43  E 1 .
ATOM 4669 C CA   . LYS Exp E 39  ? 4.317  31.678 60.939 1   55.904  ? 43  E 1 .
ATOM 4670 C C    . LYS Exp E 39  ? 3.959  32.796 61.904 1   61.171  ? 43  E 1 .
ATOM 4671 O O    . LYS Exp E 39  ? 4.837  33.521 62.343 1   71.136  ? 43  E 1 .
ATOM 4672 C CB   . LYS Exp E 39  ? 3.505  31.792 59.65  1   61.055  ? 43  E 1 .
ATOM 4673 C CG   . LYS Exp E 39  ? 3.887  32.952 58.741 1   62.483  ? 43  E 1 .
ATOM 4674 C CD   . LYS Exp E 39  ? 2.933  34.135 58.712 1   60.537  ? 43  E 1 .
ATOM 4675 C CE   . LYS Exp E 39  ? 3.095  35.008 57.5   1   62.922  ? 43  E 1 .
ATOM 4676 N NZ   . LYS Exp E 39  ? 3.809  36.248 57.829 1   69.886  ? 43  E 1 .
ATOM 4677 H H    . LYS Exp E 39  ? 3.524  29.799 61.132 1   54.197  ? 43  E 1 c
ATOM 4678 H HA   . LYS Exp E 39  ? 5.283  31.739 60.722 1   57.279  ? 43  E 1 c
ATOM 4679 H HB3  . LYS Exp E 39  ? 2.557  31.878 59.882 1   60.275  ? 43  E 1 c
ATOM 4680 H HB2  . LYS Exp E 39  ? 3.61   30.959 59.142 1   60.14   ? 43  E 1 c
ATOM 4681 H HG3  . LYS Exp E 39  ? 3.978  32.602 57.828 1   61.715  ? 43  E 1 c
ATOM 4682 H HG2  . LYS Exp E 39  ? 4.773  33.275 59.015 1   61.644  ? 43  E 1 c
ATOM 4683 H HD3  . LYS Exp E 39  ? 3.083  34.678 59.516 1   61.609  ? 43  E 1 c
ATOM 4684 H HD2  . LYS Exp E 39  ? 2.012  33.81  58.747 1   61.544  ? 43  E 1 c
ATOM 4685 H HE3  . LYS Exp E 39  ? 2.216  35.236 57.148 1   63.928  ? 43  E 1 c
ATOM 4686 H HE2  . LYS Exp E 39  ? 3.583  34.533 56.804 1   63.886  ? 43  E 1 c
ATOM 4687 H HZ1  . LYS Exp E 39  ? 4.605  36.046 58.211 1   67.565  ? 43  E 1 c
ATOM 4688 H HZ2  . LYS Exp E 39  ? 3.312  36.744 58.401 1   67.599  ? 43  E 1 c
ATOM 4689 H HZ3  . LYS Exp E 39  ? 3.956  36.725 57.073 1   67.632  ? 43  E 1 c
ATOM 4690 N N    . LYS Exp E 40  ? 2.683  32.915 62.265 1   66.589  ? 44  E 1 .
ATOM 4691 C CA   . LYS Exp E 40  ? 2.239  34.023 63.095 1   75.28   ? 44  E 1 .
ATOM 4692 C C    . LYS Exp E 40  ? 3.058  34.095 64.385 1   69.257  ? 44  E 1 .
ATOM 4693 O O    . LYS Exp E 40  ? 3.575  35.146 64.722 1   81.845  ? 44  E 1 .
ATOM 4694 C CB   . LYS Exp E 40  ? 0.751  33.848 63.402 1   86.113  ? 44  E 1 .
ATOM 4695 C CG   . LYS Exp E 40  ? -0.23  34.184 62.285 1   87.593  ? 44  E 1 .
ATOM 4696 C CD   . LYS Exp E 40  ? -1.529 33.388 62.385 1   86.919  ? 44  E 1 .
ATOM 4697 C CE   . LYS Exp E 40  ? -2.631 33.945 61.551 1   95.733  ? 44  E 1 .
ATOM 4698 N NZ   . LYS Exp E 40  ? -3.723 32.972 61.432 1   107.254 ? 44  E 1 .
ATOM 4699 H H    . LYS Exp E 40  ? 2.074  32.287 61.998 1   67.138  ? 44  E 1 c
ATOM 4700 H HA   . LYS Exp E 40  ? 2.368  34.865 62.588 1   74.224  ? 44  E 1 c
ATOM 4701 H HB3  . LYS Exp E 40  ? 0.532  34.41  64.176 1   83.724  ? 44  E 1 c
ATOM 4702 H HB2  . LYS Exp E 40  ? 0.602  32.916 63.669 1   83.708  ? 44  E 1 c
ATOM 4703 H HG3  . LYS Exp E 40  ? 0.198  33.997 61.422 1   87.1    ? 44  E 1 c
ATOM 4704 H HG2  . LYS Exp E 40  ? -0.436 35.144 62.323 1   87.1    ? 44  E 1 c
ATOM 4705 H HD3  . LYS Exp E 40  ? -1.818 33.37  63.324 1   89.047  ? 44  E 1 c
ATOM 4706 H HD2  . LYS Exp E 40  ? -1.357 32.463 62.108 1   89.029  ? 44  E 1 c
ATOM 4707 H HE3  . LYS Exp E 40  ? -2.294 34.163 60.666 1   95.672  ? 44  E 1 c
ATOM 4708 H HE2  . LYS Exp E 40  ? -2.973 34.76  61.959 1   96.079  ? 44  E 1 c
ATOM 4709 H HZ1  . LYS Exp E 40  ? -4.005 32.723 62.257 1   103.436 ? 44  E 1 c
ATOM 4710 H HZ2  . LYS Exp E 40  ? -3.435 32.24  60.983 1   103.435 ? 44  E 1 c
ATOM 4711 H HZ3  . LYS Exp E 40  ? -4.416 33.344 60.982 1   103.516 ? 44  E 1 c
ATOM 4712 N N    . GLU Exp E 41  ? 3.195  32.983 65.103 1   63.677  ? 45  E 1 .
ATOM 4713 C CA   . GLU Exp E 41  ? 3.993  32.958 66.316 1   78.98   ? 45  E 1 .
ATOM 4714 C C    . GLU Exp E 41  ? 5.358  33.608 66.081 1   68.51   ? 45  E 1 .
ATOM 4715 O O    . GLU Exp E 41  ? 5.947  34.171 67     1   73.917  ? 45  E 1 .
ATOM 4716 C CB   . GLU Exp E 41  ? 4.22   31.521 66.802 1   115.453 ? 45  E 1 .
ATOM 4717 C CG   . GLU Exp E 41  ? 4.398  31.346 68.315 1   122.692 ? 45  E 1 .
ATOM 4718 C CD   . GLU Exp E 41  ? 3.182  31.762 69.123 1   132.04  ? 45  E 1 .
ATOM 4719 O OE1  . GLU Exp E 41  ? 2.05   31.612 68.632 1   132.897 ? 45  E 1 .
ATOM 4720 O OE2  . GLU Exp E 41  ? 3.364  32.249 70.249 1   151.969 ? 45  E 1 .
ATOM 4721 H H    . GLU Exp E 41  ? 2.776  32.217 64.83  1   68.752  ? 45  E 1 c
ATOM 4722 H HA   . GLU Exp E 41  ? 3.514  33.47  67.014 1   79.297  ? 45  E 1 c
ATOM 4723 H HB3  . GLU Exp E 41  ? 5.016  31.162 66.358 1   106.849 ? 45  E 1 c
ATOM 4724 H HB2  . GLU Exp E 41  ? 3.457  30.973 66.526 1   106.444 ? 45  E 1 c
ATOM 4725 H HG3  . GLU Exp E 41  ? 5.167  31.878 68.611 1   123.239 ? 45  E 1 c
ATOM 4726 H HG2  . GLU Exp E 41  ? 4.594  30.405 68.508 1   123.111 ? 45  E 1 c
ATOM 4727 N N    . PHE Exp E 42  ? 5.88   33.498 64.861 1   63.577  ? 46  E 1 .
ATOM 4728 C CA   . PHE Exp E 42  ? 7.236  33.938 64.562 1   64.213  ? 46  E 1 .
ATOM 4729 C C    . PHE Exp E 42  ? 7.255  35.391 64.078 1   55.453  ? 46  E 1 .
ATOM 4730 O O    . PHE Exp E 42  ? 8.176  36.149 64.376 1   51.507  ? 46  E 1 .
ATOM 4731 C CB   . PHE Exp E 42  ? 7.874  32.965 63.558 1   62.695  ? 46  E 1 .
ATOM 4732 C CG   . PHE Exp E 42  ? 8.939  32.088 64.193 1   54.133  ? 46  E 1 .
ATOM 4733 C CD1  . PHE Exp E 42  ? 8.597  30.905 64.818 1   45.198  ? 46  E 1 .
ATOM 4734 C CD2  . PHE Exp E 42  ? 10.275 32.502 64.213 1   59.724  ? 46  E 1 .
ATOM 4735 C CE1  . PHE Exp E 42  ? 9.578  30.146 65.427 1   52.781  ? 46  E 1 .
ATOM 4736 C CE2  . PHE Exp E 42  ? 11.261 31.742 64.825 1   55.801  ? 46  E 1 .
ATOM 4737 C CZ   . PHE Exp E 42  ? 10.91  30.56  65.427 1   56.473  ? 46  E 1 .
ATOM 4738 H H    . PHE Exp E 42  ? 5.387  33.119 64.193 1   64.844  ? 46  E 1 c
ATOM 4739 H HA   . PHE Exp E 42  ? 7.764  33.893 65.404 1   62.163  ? 46  E 1 c
ATOM 4740 H HB3  . PHE Exp E 42  ? 8.281  33.485 62.829 1   60.903  ? 46  E 1 c
ATOM 4741 H HB2  . PHE Exp E 42  ? 7.174  32.396 63.174 1   60.876  ? 46  E 1 c
ATOM 4742 H HD1  . PHE Exp E 42  ? 7.698  30.618 64.828 1   49.09   ? 46  E 1 c
ATOM 4743 H HD2  . PHE Exp E 42  ? 10.51  33.318 63.801 1   57.476  ? 46  E 1 c
ATOM 4744 H HE1  . PHE Exp E 42  ? 9.345  29.33  65.84  1   52.064  ? 46  E 1 c
ATOM 4745 H HE2  . PHE Exp E 42  ? 12.161 32.027 64.816 1   56.747  ? 46  E 1 c
ATOM 4746 H HZ   . PHE Exp E 42  ? 11.57  30.026 65.838 1   55.396  ? 46  E 1 c
ATOM 4747 N N    . ASP Exp E 43  ? 6.278  35.742 63.247 1   56.49   ? 47  E 1 .
ATOM 4748 C CA   . ASP Exp E 43  ? 6.023  37.128 62.893 1   64.377  ? 47  E 1 .
ATOM 4749 C C    . ASP Exp E 43  ? 5.967  37.965 64.171 1   70.583  ? 47  E 1 .
ATOM 4750 O O    . ASP Exp E 43  ? 6.469  39.086 64.213 1   69.484  ? 47  E 1 .
ATOM 4751 C CB   . ASP Exp E 43  ? 4.73   37.243 62.092 1   69.602  ? 47  E 1 .
ATOM 4752 C CG   . ASP Exp E 43  ? 4.876  37.325 60.582 1   67.669  ? 47  E 1 .
ATOM 4753 O OD1  . ASP Exp E 43  ? 5.717  36.602 60.025 1   77.851  ? 47  E 1 .
ATOM 4754 O OD2  . ASP Exp E 43  ? 4.114  38.082 59.964 1   77.357  ? 47  E 1 .
ATOM 4755 H H    . ASP Exp E 43  ? 5.755  35.091 62.875 1   58.201  ? 47  E 1 c
ATOM 4756 H HA   . ASP Exp E 43  ? 6.769  37.45  62.339 1   64.803  ? 47  E 1 c
ATOM 4757 H HB3  . ASP Exp E 43  ? 4.255  38.049 62.385 1   67.974  ? 47  E 1 c
ATOM 4758 H HB2  . ASP Exp E 43  ? 4.157  36.476 62.298 1   67.794  ? 47  E 1 c
ATOM 4759 N N    . LYS Exp E 44  ? 5.326  37.415 65.21  1   73.003  ? 48  E 1 .
ATOM 4760 C CA   . LYS Exp E 44  ? 5.012  38.176 66.401 1   68.423  ? 48  E 1 .
ATOM 4761 C C    . LYS Exp E 44  ? 6.287  38.359 67.192 1   71.631  ? 48  E 1 .
ATOM 4762 O O    . LYS Exp E 44  ? 6.674  39.491 67.471 1   90.677  ? 48  E 1 .
ATOM 4763 C CB   . LYS Exp E 44  ? 4.038  37.429 67.307 1   73.44   ? 48  E 1 .
ATOM 4764 C CG   . LYS Exp E 44  ? 3.163  38.349 68.137 1   86.135  ? 48  E 1 .
ATOM 4765 C CD   . LYS Exp E 44  ? 2.359  37.682 69.254 1   86.81   ? 48  E 1 .
ATOM 4766 C CE   . LYS Exp E 44  ? 3.17   37.356 70.474 1   81.637  ? 48  E 1 .
ATOM 4767 N NZ   . LYS Exp E 44  ? 2.278  37.132 71.602 1   81.118  ? 48  E 1 .
ATOM 4768 H H    . LYS Exp E 44  ? 5.065  36.54  65.167 1   71.13   ? 48  E 1 c
ATOM 4769 H HA   . LYS Exp E 44  ? 4.648  39.06  66.139 1   70.939  ? 48  E 1 c
ATOM 4770 H HB3  . LYS Exp E 44  ? 4.537  36.841 67.912 1   74.925  ? 48  E 1 c
ATOM 4771 H HB2  . LYS Exp E 44  ? 3.458  36.865 66.753 1   74.958  ? 48  E 1 c
ATOM 4772 H HG3  . LYS Exp E 44  ? 2.538  38.804 67.532 1   83.17   ? 48  E 1 c
ATOM 4773 H HG2  . LYS Exp E 44  ? 3.737  39.04  68.534 1   83.167  ? 48  E 1 c
ATOM 4774 H HD3  . LYS Exp E 44  ? 1.962  36.854 68.906 1   85.423  ? 48  E 1 c
ATOM 4775 H HD2  . LYS Exp E 44  ? 1.623  38.279 69.512 1   85.38   ? 48  E 1 c
ATOM 4776 H HE3  . LYS Exp E 44  ? 3.773  38.092 70.681 1   82.659  ? 48  E 1 c
ATOM 4777 H HE2  . LYS Exp E 44  ? 3.699  36.554 70.317 1   82.657  ? 48  E 1 c
ATOM 4778 H HZ1  . LYS Exp E 44  ? 1.662  36.502 71.388 1   81.315  ? 48  E 1 c
ATOM 4779 H HZ2  . LYS Exp E 44  ? 1.853  37.903 71.817 1   81.312  ? 48  E 1 c
ATOM 4780 H HZ3  . LYS Exp E 44  ? 2.756  36.848 72.317 1   81.291  ? 48  E 1 c
ATOM 4781 N N    . LYS Exp E 45  ? 6.925  37.225 67.498 1   71.183  ? 49  E 1 .
ATOM 4782 C CA   . LYS Exp E 45  ? 8.09   37.197 68.368 1   82.05   ? 49  E 1 .
ATOM 4783 C C    . LYS Exp E 45  ? 9.273  37.893 67.696 1   94.032  ? 49  E 1 .
ATOM 4784 O O    . LYS Exp E 45  ? 9.929  38.724 68.323 1   121.059 ? 49  E 1 .
ATOM 4785 C CB   . LYS Exp E 45  ? 8.486  35.756 68.711 1   85.14   ? 49  E 1 .
ATOM 4786 C CG   . LYS Exp E 45  ? 8.958  35.613 70.132 1   89.228  ? 49  E 1 .
ATOM 4787 C CD   . LYS Exp E 45  ? 9.756  34.363 70.445 1   89.681  ? 49  E 1 .
ATOM 4788 C CE   . LYS Exp E 45  ? 10.504 34.625 71.714 1   101.979 ? 49  E 1 .
ATOM 4789 N NZ   . LYS Exp E 45  ? 11.501 33.603 72.025 1   116.134 ? 49  E 1 .
ATOM 4790 H H    . LYS Exp E 45  ? 6.629  36.438 67.141 1   73.75   ? 49  E 1 c
ATOM 4791 H HA   . LYS Exp E 45  ? 7.867  37.683 69.203 1   82.369  ? 49  E 1 c
ATOM 4792 H HB3  . LYS Exp E 45  ? 9.201  35.461 68.109 1   85.357  ? 49  E 1 c
ATOM 4793 H HB2  . LYS Exp E 45  ? 7.714  35.166 68.577 1   85.114  ? 49  E 1 c
ATOM 4794 H HG3  . LYS Exp E 45  ? 8.171  35.635 70.719 1   88.385  ? 49  E 1 c
ATOM 4795 H HG2  . LYS Exp E 45  ? 9.504  36.399 70.35  1   88.463  ? 49  E 1 c
ATOM 4796 H HD3  . LYS Exp E 45  ? 10.388 34.175 69.721 1   92.169  ? 49  E 1 c
ATOM 4797 H HD2  . LYS Exp E 45  ? 9.154  33.597 70.566 1   92.253  ? 49  E 1 c
ATOM 4798 H HE3  . LYS Exp E 45  ? 9.87   34.676 72.452 1   102.084 ? 49  E 1 c
ATOM 4799 H HE2  . LYS Exp E 45  ? 10.958 35.485 71.653 1   101.941 ? 49  E 1 c
ATOM 4800 H HZ1  . LYS Exp E 45  ? 12.042 33.475 71.309 1   111.436 ? 49  E 1 c
ATOM 4801 H HZ2  . LYS Exp E 45  ? 11.087 32.823 72.228 1   111.545 ? 49  E 1 c
ATOM 4802 H HZ3  . LYS Exp E 45  ? 12.001 33.868 72.733 1   111.545 ? 49  E 1 c
ATOM 4803 N N    . TYR Exp E 46  ? 9.533  37.549 66.424 1   89.773  ? 50  E 1 .
ATOM 4804 C CA   . TYR Exp E 46  ? 10.792 37.868 65.775 1   67.616  ? 50  E 1 .
ATOM 4805 C C    . TYR Exp E 46  ? 10.611 38.798 64.585 1   62.28   ? 50  E 1 .
ATOM 4806 O O    . TYR Exp E 46  ? 11.517 38.936 63.772 1   64.53   ? 50  E 1 .
ATOM 4807 C CB   . TYR Exp E 46  ? 11.406 36.559 65.295 1   66.584  ? 50  E 1 .
ATOM 4808 C CG   . TYR Exp E 46  ? 11.919 35.646 66.394 1   60.567  ? 50  E 1 .
ATOM 4809 C CD1  . TYR Exp E 46  ? 13.092 35.916 67.071 1   57.173  ? 50  E 1 .
ATOM 4810 C CD2  . TYR Exp E 46  ? 11.253 34.472 66.694 1   73.016  ? 50  E 1 .
ATOM 4811 C CE1  . TYR Exp E 46  ? 13.567 35.045 68.041 1   72.835  ? 50  E 1 .
ATOM 4812 C CE2  . TYR Exp E 46  ? 11.71  33.595 67.662 1   77.899  ? 50  E 1 .
ATOM 4813 C CZ   . TYR Exp E 46  ? 12.879 33.872 68.337 1   75.611  ? 50  E 1 .
ATOM 4814 O OH   . TYR Exp E 46  ? 13.281 32.943 69.267 1   59.549  ? 50  E 1 .
ATOM 4815 H H    . TYR Exp E 46  ? 8.902  37.09  65.949 1   84.863  ? 50  E 1 c
ATOM 4816 H HA   . TYR Exp E 46  ? 11.405 38.292 66.432 1   70.55   ? 50  E 1 c
ATOM 4817 H HB3  . TYR Exp E 46  ? 12.153 36.768 64.691 1   65.358  ? 50  E 1 c
ATOM 4818 H HB2  . TYR Exp E 46  ? 10.732 36.074 64.771 1   65.371  ? 50  E 1 c
ATOM 4819 H HD1  . TYR Exp E 46  ? 13.576 36.702 66.874 1   61.574  ? 50  E 1 c
ATOM 4820 H HD2  . TYR Exp E 46  ? 10.456 34.267 66.232 1   70.757  ? 50  E 1 c
ATOM 4821 H HE1  . TYR Exp E 46  ? 14.367 35.244 68.496 1   69.321  ? 50  E 1 c
ATOM 4822 H HE2  . TYR Exp E 46  ? 11.234 32.803 67.847 1   75.812  ? 50  E 1 c
ATOM 4823 H HH   . TYR Exp E 46  ? 14.082 33.469 69.667 0   43.1    ? 50  E 1 c
ATOM 4824 N N    . ASN Exp E 47  ? 9.438  39.413 64.475 1   72.174  ? 51  E 1 .
ATOM 4825 C CA   . ASN Exp E 47  ? 9.211  40.496 63.53  1   87.033  ? 51  E 1 .
ATOM 4826 C C    . ASN Exp E 47  ? 9.007  39.986 62.098 1   83.385  ? 51  E 1 .
ATOM 4827 O O    . ASN Exp E 47  ? 9.724  39.095 61.643 1   90.516  ? 51  E 1 .
ATOM 4828 C CB   . ASN Exp E 47  ? 10.325 41.537 63.584 1   95.643  ? 51  E 1 .
ATOM 4829 C CG   . ASN Exp E 47  ? 9.921  42.74  64.395 1   107.163 ? 51  E 1 .
ATOM 4830 O OD1  . ASN Exp E 47  ? 8.976  43.455 64.033 1   135.558 ? 51  E 1 .
ATOM 4831 N ND2  . ASN Exp E 47  ? 10.622 42.962 65.495 1   104.863 ? 51  E 1 .
ATOM 4832 H H    . ASN Exp E 47  ? 8.744  39.152 65.009 1   72.885  ? 51  E 1 c
ATOM 4833 H HA   . ASN Exp E 47  ? 8.385  40.946 63.808 1   84.727  ? 51  E 1 c
ATOM 4834 H HB3  . ASN Exp E 47  ? 10.544 41.824 62.674 1   95.91   ? 51  E 1 c
ATOM 4835 H HB2  . ASN Exp E 47  ? 11.128 41.144 63.977 1   95.468  ? 51  E 1 c
ATOM 4836 H HD21 . ASN Exp E 47  ? 10.932 43.776 65.666 1   105.566 ? 51  E 1 c
ATOM 4837 H HD22 . ASN Exp E 47  ? 10.782 42.297 66.06  1   105.566 ? 51  E 1 c
ATOM 4838 N N    . PRO Exp E 48  ? 8.086  40.612 61.32  1   72.815  ? 52  E 1 .
ATOM 4839 C CA   . PRO Exp E 48  ? 7.818  40.214 59.938 1   70.863  ? 52  E 1 .
ATOM 4840 C C    . PRO Exp E 48  ? 9.051  40.213 59.022 1   75.138  ? 52  E 1 .
ATOM 4841 O O    . PRO Exp E 48  ? 10.078 40.796 59.362 1   80.621  ? 52  E 1 .
ATOM 4842 C CB   . PRO Exp E 48  ? 6.817  41.251 59.425 1   63.194  ? 52  E 1 .
ATOM 4843 C CG   . PRO Exp E 48  ? 6.329  42.009 60.631 1   66.607  ? 52  E 1 .
ATOM 4844 C CD   . PRO Exp E 48  ? 7.299  41.781 61.75  1   72.15   ? 52  E 1 .
ATOM 4845 H HA   . PRO Exp E 48  ? 7.405  39.328 59.941 1   70.489  ? 52  E 1 c
ATOM 4846 H HB3  . PRO Exp E 48  ? 6.07   40.812 58.974 1   65.754  ? 52  E 1 c
ATOM 4847 H HB2  . PRO Exp E 48  ? 7.243  41.859 58.79  1   65.79   ? 52  E 1 c
ATOM 4848 H HG3  . PRO Exp E 48  ? 5.44   41.695 60.891 1   67.035  ? 52  E 1 c
ATOM 4849 H HG2  . PRO Exp E 48  ? 6.269  42.964 60.43  1   67.035  ? 52  E 1 c
ATOM 4850 H HD3  . PRO Exp E 48  ? 7.878  42.556 61.876 1   71.311  ? 52  E 1 c
ATOM 4851 H HD2  . PRO Exp E 48  ? 6.828  41.592 62.584 1   71.23   ? 52  E 1 c
ATOM 4852 N N    . THR Exp E 49  ? 8.971  39.514 57.876 1   68.534  ? 53  E 1 .
ATOM 4853 C CA   . THR Exp E 49  ? 7.863  38.614 57.578 1   69.335  ? 53  E 1 .
ATOM 4854 C C    . THR Exp E 49  ? 8.398  37.192 57.434 1   62.397  ? 53  E 1 .
ATOM 4855 O O    . THR Exp E 49  ? 9.414  36.987 56.792 1   73.476  ? 53  E 1 .
ATOM 4856 C CB   . THR Exp E 49  ? 7.104  39.058 56.328 1   74.946  ? 53  E 1 .
ATOM 4857 O OG1  . THR Exp E 49  ? 7.879  38.528 55.26  1   77.202  ? 53  E 1 .
ATOM 4858 C CG2  . THR Exp E 49  ? 6.856  40.561 56.266 1   74.82   ? 53  E 1 .
ATOM 4859 H H    . THR Exp E 49  ? 9.636  39.606 57.257 1   70.307  ? 53  E 1 c
ATOM 4860 H HA   . THR Exp E 49  ? 7.239  38.629 58.328 1   68.751  ? 53  E 1 c
ATOM 4861 H HB   . THR Exp E 49  ? 6.223  38.613 56.327 1   74.291  ? 53  E 1 c
ATOM 4862 H HG1  . THR Exp E 49  ? 8.587  39.08  55.209 0   64.01   ? 53  E 1 c
ATOM 4863 H HG21 . THR Exp E 49  ? 6.761  40.834 55.338 1   74.784  ? 53  E 1 c
ATOM 4864 H HG22 . THR Exp E 49  ? 7.602  41.035 56.666 1   74.654  ? 53  E 1 c
ATOM 4865 H HG23 . THR Exp E 49  ? 6.04   40.776 56.748 1   74.68   ? 53  E 1 c
ATOM 4866 N N    . TRP Exp E 50  ? 7.694  36.22  58.027 1   59.834  ? 54  E 1 .
ATOM 4867 C CA   . TRP Exp E 50  ? 8.075  34.82  57.943 1   61.697  ? 54  E 1 .
ATOM 4868 C C    . TRP Exp E 50  ? 7.15   34.048 56.995 1   63.232  ? 54  E 1 .
ATOM 4869 O O    . TRP Exp E 50  ? 6.134  34.576 56.529 1   58.679  ? 54  E 1 .
ATOM 4870 C CB   . TRP Exp E 50  ? 8.071  34.198 59.34  1   58.819  ? 54  E 1 .
ATOM 4871 C CG   . TRP Exp E 50  ? 9.121  34.758 60.255 1   57.178  ? 54  E 1 .
ATOM 4872 C CD1  . TRP Exp E 50  ? 9.054  35.91  60.968 1   64.018  ? 54  E 1 .
ATOM 4873 C CD2  . TRP Exp E 50  ? 10.385 34.162 60.593 1   64.251  ? 54  E 1 .
ATOM 4874 N NE1  . TRP Exp E 50  ? 10.183 36.081 61.721 1   69.759  ? 54  E 1 .
ATOM 4875 C CE2  . TRP Exp E 50  ? 11.021 35.023 61.508 1   67.936  ? 54  E 1 .
ATOM 4876 C CE3  . TRP Exp E 50  ? 11.042 32.996 60.208 1   72.038  ? 54  E 1 .
ATOM 4877 C CZ2  . TRP Exp E 50  ? 12.277 34.753 62.036 1   68.372  ? 54  E 1 .
ATOM 4878 C CZ3  . TRP Exp E 50  ? 12.286 32.735 60.725 1   70.586  ? 54  E 1 .
ATOM 4879 C CH2  . TRP Exp E 50  ? 12.89  33.596 61.63  1   66.441  ? 54  E 1 .
ATOM 4880 H H    . TRP Exp E 50  ? 6.945  36.44  58.503 1   61.02   ? 54  E 1 c
ATOM 4881 H HA   . TRP Exp E 50  ? 9.001  34.768 57.587 1   61.127  ? 54  E 1 c
ATOM 4882 H HB3  . TRP Exp E 50  ? 8.211  33.231 59.252 1   59.121  ? 54  E 1 c
ATOM 4883 H HB2  . TRP Exp E 50  ? 7.189  34.342 59.743 1   59.16   ? 54  E 1 c
ATOM 4884 H HD1  . TRP Exp E 50  ? 8.328  36.512 60.954 1   63.673  ? 54  E 1 c
ATOM 4885 H HE1  . TRP Exp E 50  ? 10.345 36.761 62.244 1   67.833  ? 54  E 1 c
ATOM 4886 H HE3  . TRP Exp E 50  ? 10.643 32.405 59.591 1   69.729  ? 54  E 1 c
ATOM 4887 H HZ2  . TRP Exp E 50  ? 12.687 35.339 62.649 1   67.821  ? 54  E 1 c
ATOM 4888 H HZ3  . TRP Exp E 50  ? 12.735 31.946 60.471 1   69.846  ? 54  E 1 c
ATOM 4889 H HH2  . TRP Exp E 50  ? 13.74  33.384 61.971 1   67.846  ? 54  E 1 c
ATOM 4890 N N    . HIS Exp E 51  ? 7.539  32.797 56.69  1   59.999  ? 55  E 1 .
ATOM 4891 C CA   . HIS Exp E 51  ? 6.744  31.919 55.846 1   58.729  ? 55  E 1 .
ATOM 4892 C C    . HIS Exp E 51  ? 6.96   30.469 56.261 1   54.54   ? 55  E 1 .
ATOM 4893 O O    . HIS Exp E 51  ? 8.085  30.001 56.399 1   56.179  ? 55  E 1 .
ATOM 4894 C CB   . HIS Exp E 51  ? 7.124  32.039 54.371 1   63.25   ? 55  E 1 .
ATOM 4895 C CG   . HIS Exp E 51  ? 7.385  33.421 53.889 1   62.935  ? 55  E 1 .
ATOM 4896 N ND1  . HIS Exp E 51  ? 8.455  34.174 54.309 1   57.482  ? 55  E 1 .
ATOM 4897 C CD2  . HIS Exp E 51  ? 6.733  34.167 53.007 1   69.248  ? 55  E 1 .
ATOM 4898 C CE1  . HIS Exp E 51  ? 8.412  35.349 53.715 1   61.762  ? 55  E 1 .
ATOM 4899 N NE2  . HIS Exp E 51  ? 7.381  35.364 52.91  1   66.65   ? 55  E 1 .
ATOM 4900 H H    . HIS Exp E 51  ? 8.333  32.486 57.02  1   60.411  ? 55  E 1 c
ATOM 4901 H HA   . HIS Exp E 51  ? 5.788  32.142 55.961 1   58.966  ? 55  E 1 c
ATOM 4902 H HB3  . HIS Exp E 51  ? 6.402  31.65  53.833 1   62.182  ? 55  E 1 c
ATOM 4903 H HB2  . HIS Exp E 51  ? 7.926  31.496 54.21  1   62.06   ? 55  E 1 c
ATOM 4904 H HD1  . HIS Exp E 51  ? 9.09   33.999 54.838 0   60.9    ? 55  E 1 c
ATOM 4905 H HD2  . HIS Exp E 51  ? 5.96   33.925 52.537 1   67.115  ? 55  E 1 c
ATOM 4906 H HE1  . HIS Exp E 51  ? 9.032  36.047 53.834 1   61.732  ? 55  E 1 c
ATOM 4907 H HE2  . HIS Exp E 51  ? 7.036  36.114 52.43  0   31.44   ? 55  E 1 c
ATOM 4908 N N    . CYS Exp E 52  ? 5.856  29.756 56.46  1   57.273  ? 56  E 1 .
ATOM 4909 C CA   . CYS Exp E 52  ? 5.931  28.386 56.926 1   63.266  ? 56  E 1 .
ATOM 4910 C C    . CYS Exp E 52  ? 5.28   27.527 55.868 1   55.697  ? 56  E 1 .
ATOM 4911 O O    . CYS Exp E 52  ? 4.173  27.834 55.433 1   48.599  ? 56  E 1 .
ATOM 4912 C CB   . CYS Exp E 52  ? 5.232  28.131 58.265 1   72.243  ? 56  E 1 .
ATOM 4913 S SG   . CYS Exp E 52  ? 5.643  26.528 59.031 1   63.52   ? 56  E 1 .
ATOM 4914 H H    . CYS Exp E 52  ? 5.036  30.127 56.3   1   57.897  ? 56  E 1 c
ATOM 4915 H HA   . CYS Exp E 52  ? 6.881  28.133 57.003 1   61.95   ? 56  E 1 c
ATOM 4916 H HB3  . CYS Exp E 52  ? 4.259  28.171 58.132 1   68.241  ? 56  E 1 c
ATOM 4917 H HB2  . CYS Exp E 52  ? 5.478  28.846 58.894 1   68.306  ? 56  E 1 c
ATOM 4918 H HG   . CYS Exp E 52  ? 4.804  26.906 60.074 0   69.47   ? 56  E 1 c
ATOM 4919 N N    . ILE Exp E 53  ? 6.016  26.49  55.46  1   57.386  ? 57  E 1 .
ATOM 4920 C CA   . ILE Exp E 53  ? 5.42   25.399 54.72  1   61.395  ? 57  E 1 .
ATOM 4921 C C    . ILE Exp E 53  ? 5.498  24.112 55.534 1   61.514  ? 57  E 1 .
ATOM 4922 O O    . ILE Exp E 53  ? 6.57   23.707 55.982 1   62.674  ? 57  E 1 .
ATOM 4923 C CB   . ILE Exp E 53  ? 6.046  25.267 53.324 1   54.934  ? 57  E 1 .
ATOM 4924 C CG1  . ILE Exp E 53  ? 5.616  26.435 52.473 1   52.645  ? 57  E 1 .
ATOM 4925 C CG2  . ILE Exp E 53  ? 5.687  23.935 52.66  1   55.334  ? 57  E 1 .
ATOM 4926 C CD1  . ILE Exp E 53  ? 6.68   27.496 52.363 1   63.554  ? 57  E 1 .
ATOM 4927 H H    . ILE Exp E 53  ? 6.911  26.463 55.645 1   57.929  ? 57  E 1 c
ATOM 4928 H HA   . ILE Exp E 53  ? 4.475  25.61  54.596 1   59.095  ? 57  E 1 c
ATOM 4929 H HB   . ILE Exp E 53  ? 7.012  25.304 53.426 1   55.852  ? 57  E 1 c
ATOM 4930 H HG12 . ILE Exp E 53  ? 4.809  26.834 52.857 1   55.579  ? 57  E 1 c
ATOM 4931 H HG13 . ILE Exp E 53  ? 5.396  26.115 51.575 1   55.527  ? 57  E 1 c
ATOM 4932 H HG21 . ILE Exp E 53  ? 5.889  23.978 51.71  1   55.216  ? 57  E 1 c
ATOM 4933 H HG22 . ILE Exp E 53  ? 4.738  23.756 52.779 1   55.247  ? 57  E 1 c
ATOM 4934 H HG23 . ILE Exp E 53  ? 6.203  23.217 53.064 1   55.244  ? 57  E 1 c
ATOM 4935 H HD11 . ILE Exp E 53  ? 7.129  27.606 53.223 1   60.031  ? 57  E 1 c
ATOM 4936 H HD12 . ILE Exp E 53  ? 6.268  28.342 52.103 1   60.076  ? 57  E 1 c
ATOM 4937 H HD13 . ILE Exp E 53  ? 7.332  27.234 51.687 1   60.092  ? 57  E 1 c
ATOM 4938 N N    . VAL Exp E 54  ? 4.338  23.458 55.665 1   51.534  ? 58  E 1 .
ATOM 4939 C CA   . VAL Exp E 54  ? 4.285  22.159 56.291 1   55.655  ? 58  E 1 .
ATOM 4940 C C    . VAL Exp E 54  ? 3.689  21.166 55.313 1   57.92   ? 58  E 1 .
ATOM 4941 O O    . VAL Exp E 54  ? 2.682  21.484 54.684 1   55.692  ? 58  E 1 .
ATOM 4942 C CB   . VAL Exp E 54  ? 3.464  22.198 57.583 1   62.359  ? 58  E 1 .
ATOM 4943 C CG1  . VAL Exp E 54  ? 2.769  20.866 57.825 1   68.881  ? 58  E 1 .
ATOM 4944 C CG2  . VAL Exp E 54  ? 4.332  22.572 58.766 1   68.06   ? 58  E 1 .
ATOM 4945 H H    . VAL Exp E 54  ? 3.564  23.833 55.356 1   54.781  ? 58  E 1 c
ATOM 4946 H HA   . VAL Exp E 54  ? 5.192  21.879 56.507 1   56.723  ? 58  E 1 c
ATOM 4947 H HB   . VAL Exp E 54  ? 2.773  22.893 57.473 1   63.135  ? 58  E 1 c
ATOM 4948 H HG11 . VAL Exp E 54  ? 3.406  20.139 57.721 1   66.875  ? 58  E 1 c
ATOM 4949 H HG12 . VAL Exp E 54  ? 2.046  20.758 57.19  1   67.09   ? 58  E 1 c
ATOM 4950 H HG13 . VAL Exp E 54  ? 2.408  20.85  58.727 1   66.925  ? 58  E 1 c
ATOM 4951 H HG21 . VAL Exp E 54  ? 3.791  22.592 59.574 1   66.349  ? 58  E 1 c
ATOM 4952 H HG22 . VAL Exp E 54  ? 4.726  23.448 58.618 1   66.346  ? 58  E 1 c
ATOM 4953 H HG23 . VAL Exp E 54  ? 5.037  21.913 58.866 1   66.429  ? 58  E 1 c
ATOM 4954 N N    . GLY Exp E 55  ? 4.315  19.976 55.242 1   64.522  ? 59  E 1 .
ATOM 4955 C CA   . GLY Exp E 55  ? 3.788  18.851 54.481 1   69.711  ? 59  E 1 .
ATOM 4956 C C    . GLY Exp E 55  ? 4.635  17.593 54.648 1   77.092  ? 59  E 1 .
ATOM 4957 O O    . GLY Exp E 55  ? 5.505  17.548 55.527 1   72.74   ? 59  E 1 .
ATOM 4958 H H    . GLY Exp E 55  ? 5.105  19.866 55.688 1   63.939  ? 59  E 1 c
ATOM 4959 H HA3  . GLY Exp E 55  ? 3.761  19.097 53.531 1   70.017  ? 59  E 1 c
ATOM 4960 H HA2  . GLY Exp E 55  ? 2.867  18.667 54.774 1   70.093  ? 59  E 1 c
ATOM 4961 N N    . ARG Exp E 56  ? 4.362  16.59  53.79  1   82.764  ? 60  E 1 .
ATOM 4962 C CA   . ARG Exp E 56  ? 5.092  15.329 53.819 1   83.924  ? 60  E 1 .
ATOM 4963 C C    . ARG Exp E 56  ? 5.989  15.197 52.584 1   81.855  ? 60  E 1 .
ATOM 4964 O O    . ARG Exp E 56  ? 7.185  14.926 52.747 1   83.426  ? 60  E 1 .
ATOM 4965 C CB   . ARG Exp E 56  ? 4.155  14.14  54.042 1   87.032  ? 60  E 1 .
ATOM 4966 C CG   . ARG Exp E 56  ? 3.56   14.056 55.446 1   95.78   ? 60  E 1 .
ATOM 4967 C CD   . ARG Exp E 56  ? 3.162  12.63  55.826 1   111.846 ? 60  E 1 .
ATOM 4968 N NE   . ARG Exp E 56  ? 1.727  12.323 55.817 1   116.588 ? 60  E 1 .
ATOM 4969 C CZ   . ARG Exp E 56  ? 0.932  12.574 56.837 1   113.337 ? 60  E 1 .
ATOM 4970 N NH1  . ARG Exp E 56  ? 1.453  13.138 57.914 1   103.444 ? 60  E 1 .
ATOM 4971 N NH2  . ARG Exp E 56  ? -0.353 12.253 56.768 1   114.592 ? 60  E 1 .
ATOM 4972 H H    . ARG Exp E 56  ? 3.697  16.699 53.172 1   81.543  ? 60  E 1 c
ATOM 4973 H HA   . ARG Exp E 56  ? 5.691  15.352 54.607 1   83.846  ? 60  E 1 c
ATOM 4974 H HB3  . ARG Exp E 56  ? 4.654  13.315 53.861 1   88.441  ? 60  E 1 c
ATOM 4975 H HB2  . ARG Exp E 56  ? 3.423  14.192 53.392 1   88.233  ? 60  E 1 c
ATOM 4976 H HG3  . ARG Exp E 56  ? 2.766  14.633 55.495 1   96.987  ? 60  E 1 c
ATOM 4977 H HG2  . ARG Exp E 56  ? 4.215  14.389 56.097 1   96.973  ? 60  E 1 c
ATOM 4978 H HD3  . ARG Exp E 56  ? 3.518  12.45  56.72  1   108.969 ? 60  E 1 c
ATOM 4979 H HD2  . ARG Exp E 56  ? 3.614  12.014 55.214 1   108.729 ? 60  E 1 c
ATOM 4980 H HE   . ARG Exp E 56  ? 1.385  11.958 55.104 1   114.706 ? 60  E 1 c
ATOM 4981 H HH11 . ARG Exp E 56  ? 1.665  13.996 57.902 1   106.393 ? 60  E 1 c
ATOM 4982 H HH12 . ARG Exp E 56  ? 1.586  12.654 58.642 1   106.393 ? 60  E 1 c
ATOM 4983 H HH21 . ARG Exp E 56  ? -0.597 11.499 56.376 1   114.208 ? 60  E 1 c
ATOM 4984 H HH22 . ARG Exp E 56  ? -0.96  12.795 57.113 1   114.205 ? 60  E 1 c
ATOM 4985 N N    . ASN Exp E 57  ? 5.439  15.401 51.37  1   77.265  ? 61  E 1 .
ATOM 4986 C CA   . ASN Exp E 57  ? 6.258  15.355 50.155 1   93.222  ? 61  E 1 .
ATOM 4987 C C    . ASN Exp E 57  ? 6.048  16.576 49.257 1   72.066  ? 61  E 1 .
ATOM 4988 O O    . ASN Exp E 57  ? 5.312  16.515 48.267 1   56.446  ? 61  E 1 .
ATOM 4989 C CB   . ASN Exp E 57  ? 6.153  14.054 49.347 1   125.338 ? 61  E 1 .
ATOM 4990 C CG   . ASN Exp E 57  ? 7.42   13.206 49.403 1   145.228 ? 61  E 1 .
ATOM 4991 O OD1  . ASN Exp E 57  ? 8.535  13.739 49.382 1   168.94  ? 61  E 1 .
ATOM 4992 N ND2  . ASN Exp E 57  ? 7.304  11.886 49.482 1   135.49  ? 61  E 1 .
ATOM 4993 H H    . ASN Exp E 57  ? 4.544  15.571 51.297 1   81.801  ? 61  E 1 c
ATOM 4994 H HA   . ASN Exp E 57  ? 7.185  15.405 50.455 1   90.539  ? 61  E 1 c
ATOM 4995 H HB3  . ASN Exp E 57  ? 5.96   14.268 48.413 1   120.139 ? 61  E 1 c
ATOM 4996 H HB2  . ASN Exp E 57  ? 5.405  13.527 49.692 1   120.97  ? 61  E 1 c
ATOM 4997 H HD21 . ASN Exp E 57  ? 7.918  11.413 49.913 1   138.623 ? 61  E 1 c
ATOM 4998 H HD22 . ASN Exp E 57  ? 6.612  11.48  49.104 1   138.464 ? 61  E 1 c
ATOM 4999 N N    . PHE Exp E 58  ? 6.841  17.616 49.574 1   66.934  ? 62  E 1 .
ATOM 5000 C CA   . PHE Exp E 58  ? 7.022  18.821 48.781 1   61.824  ? 62  E 1 .
ATOM 5001 C C    . PHE Exp E 58  ? 8.509  19.165 48.638 1   55.515  ? 62  E 1 .
ATOM 5002 O O    . PHE Exp E 58  ? 9.371  18.72  49.396 1   54.873  ? 62  E 1 .
ATOM 5003 C CB   . PHE Exp E 58  ? 6.283  19.945 49.513 1   66.796  ? 62  E 1 .
ATOM 5004 C CG   . PHE Exp E 58  ? 6.953  20.383 50.819 1   60.034  ? 62  E 1 .
ATOM 5005 C CD1  . PHE Exp E 58  ? 8.034  21.254 50.801 1   62.73   ? 62  E 1 .
ATOM 5006 C CD2  . PHE Exp E 58  ? 6.534  19.906 52.05  1   50.747  ? 62  E 1 .
ATOM 5007 C CE1  . PHE Exp E 58  ? 8.668  21.63  51.964 1   56.741  ? 62  E 1 .
ATOM 5008 C CE2  . PHE Exp E 58  ? 7.177  20.282 53.202 1   48.954  ? 62  E 1 .
ATOM 5009 C CZ   . PHE Exp E 58  ? 8.229  21.149 53.156 1   53.658  ? 62  E 1 .
ATOM 5010 H H    . PHE Exp E 58  ? 7.301  17.563 50.361 1   67.276  ? 62  E 1 c
ATOM 5011 H HA   . PHE Exp E 58  ? 6.625  18.69  47.885 1   62.486  ? 62  E 1 c
ATOM 5012 H HB3  . PHE Exp E 58  ? 5.371  19.639 49.709 1   64.077  ? 62  E 1 c
ATOM 5013 H HB2  . PHE Exp E 58  ? 6.22   20.72  48.912 1   64.065  ? 62  E 1 c
ATOM 5014 H HD1  . PHE Exp E 58  ? 8.345  21.588 49.975 1   60.452  ? 62  E 1 c
ATOM 5015 H HD2  . PHE Exp E 58  ? 5.809  19.303 52.094 1   52.561  ? 62  E 1 c
ATOM 5016 H HE1  . PHE Exp E 58  ? 9.396  22.23  51.934 1   57.249  ? 62  E 1 c
ATOM 5017 H HE2  . PHE Exp E 58  ? 6.87   19.96  54.033 1   50.778  ? 62  E 1 c
ATOM 5018 H HZ   . PHE Exp E 58  ? 8.655  21.413 53.956 1   53.302  ? 62  E 1 c
ATOM 5019 N N    . GLY Exp E 59  ? 8.814  20.029 47.678 1   56.2    ? 63  E 1 .
ATOM 5020 C CA   . GLY Exp E 59  ? 10.186 20.459 47.452 1   55.912  ? 63  E 1 .
ATOM 5021 C C    . GLY Exp E 59  ? 10.2   21.962 47.226 1   57.069  ? 63  E 1 .
ATOM 5022 O O    . GLY Exp E 59  ? 9.168  22.551 46.894 1   65.866  ? 63  E 1 .
ATOM 5023 H H    . GLY Exp E 59  ? 8.152  20.366 47.145 1   56.077  ? 63  E 1 c
ATOM 5024 H HA3  . GLY Exp E 59  ? 10.552 19.995 46.663 1   56.258  ? 63  E 1 c
ATOM 5025 H HA2  . GLY Exp E 59  ? 10.742 20.232 48.233 1   56.348  ? 63  E 1 c
ATOM 5026 N N    . SER Exp E 60  ? 11.367 22.576 47.391 1   49.167  ? 64  E 1 .
ATOM 5027 C CA   . SER Exp E 60  ? 11.391 23.961 47.802 1   51.267  ? 64  E 1 .
ATOM 5028 C C    . SER Exp E 60  ? 12.596 24.673 47.247 1   48.094  ? 64  E 1 .
ATOM 5029 O O    . SER Exp E 60  ? 13.701 24.183 47.407 1   55.999  ? 64  E 1 .
ATOM 5030 C CB   . SER Exp E 60  ? 11.464 24.029 49.3   1   61.034  ? 64  E 1 .
ATOM 5031 O OG   . SER Exp E 60  ? 12.729 23.594 49.792 1   59.495  ? 64  E 1 .
ATOM 5032 H H    . SER Exp E 60  ? 12.153 22.131 47.248 1   51.434  ? 64  E 1 c
ATOM 5033 H HA   . SER Exp E 60  ? 10.568 24.414 47.49  1   52.013  ? 64  E 1 c
ATOM 5034 H HB3  . SER Exp E 60  ? 10.761 23.471 49.681 1   58.29   ? 64  E 1 c
ATOM 5035 H HB2  . SER Exp E 60  ? 11.307 24.949 49.586 1   58.294  ? 64  E 1 c
ATOM 5036 H HG   . SER Exp E 60  ? 12.413 23.847 50.824 0   38.97   ? 64  E 1 c
ATOM 5037 N N    . TYR Exp E 61  ? 12.393 25.874 46.736 1   49.173  ? 65  E 1 .
ATOM 5038 C CA   . TYR Exp E 61  ? 13.529 26.734 46.456 1   60.984  ? 65  E 1 .
ATOM 5039 C C    . TYR Exp E 61  ? 13.179 28.157 46.878 1   57.826  ? 65  E 1 .
ATOM 5040 O O    . TYR Exp E 61  ? 12.314 28.784 46.253 1   50.077  ? 65  E 1 .
ATOM 5041 C CB   . TYR Exp E 61  ? 13.918 26.684 44.969 1   75.809  ? 65  E 1 .
ATOM 5042 C CG   . TYR Exp E 61  ? 15.321 27.201 44.683 1   74.485  ? 65  E 1 .
ATOM 5043 C CD1  . TYR Exp E 61  ? 16.409 26.681 45.368 1   80.618  ? 65  E 1 .
ATOM 5044 C CD2  . TYR Exp E 61  ? 15.556 28.237 43.793 1   63.895  ? 65  E 1 .
ATOM 5045 C CE1  . TYR Exp E 61  ? 17.702 27.122 45.134 1   86.524  ? 65  E 1 .
ATOM 5046 C CE2  . TYR Exp E 61  ? 16.84  28.712 43.565 1   71.917  ? 65  E 1 .
ATOM 5047 C CZ   . TYR Exp E 61  ? 17.922 28.153 44.234 1   87.62   ? 65  E 1 .
ATOM 5048 O OH   . TYR Exp E 61  ? 19.205 28.61  44.046 1   94.65   ? 65  E 1 .
ATOM 5049 H H    . TYR Exp E 61  ? 11.547 26.169 46.554 1   51.384  ? 65  E 1 c
ATOM 5050 H HA   . TYR Exp E 61  ? 14.301 26.425 46.996 1   60.261  ? 65  E 1 c
ATOM 5051 H HB3  . TYR Exp E 61  ? 13.27  27.216 44.456 1   71.574  ? 65  E 1 c
ATOM 5052 H HB2  . TYR Exp E 61  ? 13.853 25.753 44.662 1   71.809  ? 65  E 1 c
ATOM 5053 H HD1  . TYR Exp E 61  ? 16.266 25.979 45.972 1   79.847  ? 65  E 1 c
ATOM 5054 H HD2  . TYR Exp E 61  ? 14.835 28.621 43.329 1   68.715  ? 65  E 1 c
ATOM 5055 H HE1  . TYR Exp E 61  ? 18.425 26.747 45.609 1   85.107  ? 65  E 1 c
ATOM 5056 H HE2  . TYR Exp E 61  ? 16.981 29.409 42.948 1   73.458  ? 65  E 1 c
ATOM 5057 H HH   . TYR Exp E 61  ? 19.769 28.576 44.534 0   59.54   ? 65  E 1 c
ATOM 5058 N N    . VAL Exp E 62  ? 13.89  28.652 47.905 1   54.555  ? 66  E 1 .
ATOM 5059 C CA   . VAL Exp E 62  ? 13.579 29.938 48.515 1   53.963  ? 66  E 1 .
ATOM 5060 C C    . VAL Exp E 62  ? 14.851 30.719 48.769 1   58.282  ? 66  E 1 .
ATOM 5061 O O    . VAL Exp E 62  ? 15.951 30.17  48.683 1   54.804  ? 66  E 1 .
ATOM 5062 C CB   . VAL Exp E 62  ? 12.834 29.793 49.841 1   54.054  ? 66  E 1 .
ATOM 5063 C CG1  . VAL Exp E 62  ? 11.468 29.181 49.607 1   62.868  ? 66  E 1 .
ATOM 5064 C CG2  . VAL Exp E 62  ? 13.643 28.974 50.839 1   53.785  ? 66  E 1 .
ATOM 5065 H H    . VAL Exp E 62  ? 14.598 28.174 48.231 1   55.264  ? 66  E 1 c
ATOM 5066 H HA   . VAL Exp E 62  ? 13.02  30.449 47.898 1   54.934  ? 66  E 1 c
ATOM 5067 H HB   . VAL Exp E 62  ? 12.71  30.695 50.216 1   55.618  ? 66  E 1 c
ATOM 5068 H HG11 . VAL Exp E 62  ? 11.42  28.314 50.043 1   59.945  ? 66  E 1 c
ATOM 5069 H HG12 . VAL Exp E 62  ? 11.316 29.07  48.655 1   59.855  ? 66  E 1 c
ATOM 5070 H HG13 . VAL Exp E 62  ? 10.784 29.763 49.974 1   59.896  ? 66  E 1 c
ATOM 5071 H HG21 . VAL Exp E 62  ? 13.102 28.798 51.627 1   53.913  ? 66  E 1 c
ATOM 5072 H HG22 . VAL Exp E 62  ? 14.439 29.467 51.1   1   53.899  ? 66  E 1 c
ATOM 5073 H HG23 . VAL Exp E 62  ? 13.905 28.13  50.434 1   53.892  ? 66  E 1 c
ATOM 5074 N N    . THR Exp E 63  ? 14.637 32.012 49.051 1   63.388  ? 67  E 1 .
ATOM 5075 C CA   . THR Exp E 63  ? 15.655 32.936 49.518 1   63.773  ? 67  E 1 .
ATOM 5076 C C    . THR Exp E 63  ? 15.252 33.417 50.905 1   64.1    ? 67  E 1 .
ATOM 5077 O O    . THR Exp E 63  ? 14.134 33.884 51.101 1   64.463  ? 67  E 1 .
ATOM 5078 C CB   . THR Exp E 63  ? 15.769 34.134 48.575 1   65.825  ? 67  E 1 .
ATOM 5079 O OG1  . THR Exp E 63  ? 16.08  33.672 47.262 1   59.653  ? 67  E 1 .
ATOM 5080 C CG2  . THR Exp E 63  ? 16.811 35.127 49.06  1   74.909  ? 67  E 1 .
ATOM 5081 H H    . THR Exp E 63  ? 13.8   32.344 48.913 1   61.836  ? 67  E 1 c
ATOM 5082 H HA   . THR Exp E 63  ? 16.518 32.475 49.565 1   63.99   ? 67  E 1 c
ATOM 5083 H HB   . THR Exp E 63  ? 14.896 34.594 48.551 1   65.853  ? 67  E 1 c
ATOM 5084 H HG1  . THR Exp E 63  ? 16.994 33.23  47.391 0   34.61   ? 67  E 1 c
ATOM 5085 H HG21 . THR Exp E 63  ? 17.178 35.609 48.299 1   71.954  ? 67  E 1 c
ATOM 5086 H HG22 . THR Exp E 63  ? 17.525 34.654 49.516 1   71.866  ? 67  E 1 c
ATOM 5087 H HG23 . THR Exp E 63  ? 16.398 35.759 49.673 1   71.991  ? 67  E 1 c
ATOM 5088 N N    . HIS Exp E 64  ? 16.186 33.36  51.855 1   68.41   ? 68  E 1 .
ATOM 5089 C CA   . HIS Exp E 64  ? 15.899 33.823 53.202 1   69.422  ? 68  E 1 .
ATOM 5090 C C    . HIS Exp E 64  ? 16.897 34.891 53.606 1   67.217  ? 68  E 1 .
ATOM 5091 O O    . HIS Exp E 64  ? 17.78  35.219 52.837 1   74.503  ? 68  E 1 .
ATOM 5092 C CB   . HIS Exp E 64  ? 15.95  32.67  54.202 1   67.474  ? 68  E 1 .
ATOM 5093 C CG   . HIS Exp E 64  ? 17.252 31.961 54.251 1   63.329  ? 68  E 1 .
ATOM 5094 N ND1  . HIS Exp E 64  ? 18.164 32.208 55.244 1   65.032  ? 68  E 1 .
ATOM 5095 C CD2  . HIS Exp E 64  ? 17.773 30.982 53.497 1   65.436  ? 68  E 1 .
ATOM 5096 C CE1  . HIS Exp E 64  ? 19.201 31.389 55.079 1   77.083  ? 68  E 1 .
ATOM 5097 N NE2  . HIS Exp E 64  ? 18.981 30.627 54.029 1   64.648  ? 68  E 1 .
ATOM 5098 H H    . HIS Exp E 64  ? 17.019 33.036 51.661 1   67.486  ? 68  E 1 c
ATOM 5099 H HA   . HIS Exp E 64  ? 14.995 34.222 53.22  1   68.274  ? 68  E 1 c
ATOM 5100 H HB3  . HIS Exp E 64  ? 15.248 32.024 53.968 1   66.819  ? 68  E 1 c
ATOM 5101 H HB2  . HIS Exp E 64  ? 15.742 33.017 55.096 1   66.95   ? 68  E 1 c
ATOM 5102 H HD1  . HIS Exp E 64  ? 18.118 32.833 55.849 0   25.26   ? 68  E 1 c
ATOM 5103 H HD2  . HIS Exp E 64  ? 17.372 30.583 52.75  1   64.848  ? 68  E 1 c
ATOM 5104 H HE1  . HIS Exp E 64  ? 19.969 31.373 55.617 1   71.023  ? 68  E 1 c
ATOM 5105 H HE2  . HIS Exp E 64  ? 19.497 30.069 53.624 0   27.15   ? 68  E 1 c
ATOM 5106 N N    . GLU Exp E 65  ? 16.726 35.431 54.811 1   72.794  ? 69  E 1 .
ATOM 5107 C CA   . GLU Exp E 65  ? 17.715 36.308 55.403 1   72.539  ? 69  E 1 .
ATOM 5108 C C    . GLU Exp E 65  ? 18.662 35.485 56.253 1   65.035  ? 69  E 1 .
ATOM 5109 O O    . GLU Exp E 65  ? 18.25  34.575 56.962 1   68.851  ? 69  E 1 .
ATOM 5110 C CB   . GLU Exp E 65  ? 17.073 37.4   56.251 1   83.605  ? 69  E 1 .
ATOM 5111 C CG   . GLU Exp E 65  ? 16.544 38.546 55.397 1   92.943  ? 69  E 1 .
ATOM 5112 C CD   . GLU Exp E 65  ? 15.515 39.348 56.147 1   100.646 ? 69  E 1 .
ATOM 5113 O OE1  . GLU Exp E 65  ? 15.889 39.721 57.296 1   100.463 ? 69  E 1 .
ATOM 5114 O OE2  . GLU Exp E 65  ? 14.383 39.533 55.603 1   93.145  ? 69  E 1 .
ATOM 5115 H H    . GLU Exp E 65  ? 15.959 35.256 55.276 1   71.378  ? 69  E 1 c
ATOM 5116 H HA   . GLU Exp E 65  ? 18.232 36.736 54.677 1   72.902  ? 69  E 1 c
ATOM 5117 H HB3  . GLU Exp E 65  ? 17.738 37.748 56.882 1   82.796  ? 69  E 1 c
ATOM 5118 H HB2  . GLU Exp E 65  ? 16.34  37.01  56.772 1   82.888  ? 69  E 1 c
ATOM 5119 H HG3  . GLU Exp E 65  ? 16.138 38.186 54.58  1   92.311  ? 69  E 1 c
ATOM 5120 H HG2  . GLU Exp E 65  ? 17.286 39.135 55.142 1   92.407  ? 69  E 1 c
ATOM 5121 N N    . THR Exp E 66  ? 19.937 35.859 56.197 1   59.843  ? 70  E 1 .
ATOM 5122 C CA   . THR Exp E 66  ? 20.95  35.169 56.966 1   63.448  ? 70  E 1 .
ATOM 5123 C C    . THR Exp E 66  ? 20.52  34.982 58.422 1   68.725  ? 70  E 1 .
ATOM 5124 O O    . THR Exp E 66  ? 20.151 35.911 59.137 1   69.962  ? 70  E 1 .
ATOM 5125 C CB   . THR Exp E 66  ? 22.211 35.995 56.817 1   67.193  ? 70  E 1 .
ATOM 5126 O OG1  . THR Exp E 66  ? 21.807 37.352 56.989 1   69.965  ? 70  E 1 .
ATOM 5127 C CG2  . THR Exp E 66  ? 22.764 35.82  55.423 1   74.464  ? 70  E 1 .
ATOM 5128 H H    . THR Exp E 66  ? 20.178 36.57  55.676 1   62.193  ? 70  E 1 c
ATOM 5129 H HA   . THR Exp E 66  ? 21.1   34.287 56.56  1   64.488  ? 70  E 1 c
ATOM 5130 H HB   . THR Exp E 66  ? 22.88  35.749 57.499 1   68.294  ? 70  E 1 c
ATOM 5131 H HG1  . THR Exp E 66  ? 21.558 37.695 56.528 0   95.37   ? 70  E 1 c
ATOM 5132 H HG21 . THR Exp E 66  ? 23.674 36.162 55.391 1   72.156  ? 70  E 1 c
ATOM 5133 H HG22 . THR Exp E 66  ? 22.214 36.309 54.789 1   72.031  ? 70  E 1 c
ATOM 5134 H HG23 . THR Exp E 66  ? 22.767 34.877 55.188 1   72.069  ? 70  E 1 c
ATOM 5135 N N    . ARG Exp E 67  ? 20.541 33.729 58.853 1   69.067  ? 71  E 1 .
ATOM 5136 C CA   . ARG Exp E 67  ? 20.296 33.391 60.24  1   68.622  ? 71  E 1 .
ATOM 5137 C C    . ARG Exp E 67  ? 18.795 33.441 60.539 1   54.679  ? 71  E 1 .
ATOM 5138 O O    . ARG Exp E 67  ? 18.394 33.697 61.652 1   56.161  ? 71  E 1 .
ATOM 5139 C CB   . ARG Exp E 67  ? 21.185 34.293 61.108 1   72.013  ? 71  E 1 .
ATOM 5140 C CG   . ARG Exp E 67  ? 22.034 33.493 62.086 1   89.674  ? 71  E 1 .
ATOM 5141 C CD   . ARG Exp E 67  ? 23.425 33.3   61.541 1   105.093 ? 71  E 1 .
ATOM 5142 N NE   . ARG Exp E 67  ? 24.301 34.44  61.855 1   157.585 ? 71  E 1 .
ATOM 5143 C CZ   . ARG Exp E 67  ? 24.828 34.767 63.054 1   167.644 ? 71  E 1 .
ATOM 5144 N NH1  . ARG Exp E 67  ? 24.534 34.067 64.143 1   183.81  ? 71  E 1 .
ATOM 5145 N NH2  . ARG Exp E 67  ? 25.656 35.8   63.162 1   130.662 ? 71  E 1 .
ATOM 5146 H H    . ARG Exp E 67  ? 20.706 33.054 58.26  1   68.808  ? 71  E 1 c
ATOM 5147 H HA   . ARG Exp E 67  ? 20.594 32.461 60.375 1   66.753  ? 71  E 1 c
ATOM 5148 H HB3  . ARG Exp E 67  ? 20.621 34.917 61.612 1   74.68   ? 71  E 1 c
ATOM 5149 H HB2  . ARG Exp E 67  ? 21.78  34.82  60.535 1   75.124  ? 71  E 1 c
ATOM 5150 H HG3  . ARG Exp E 67  ? 21.623 32.616 62.245 1   88.208  ? 71  E 1 c
ATOM 5151 H HG2  . ARG Exp E 67  ? 22.083 33.971 62.942 1   89.462  ? 71  E 1 c
ATOM 5152 H HD3  . ARG Exp E 67  ? 23.381 33.186 60.569 1   111.043 ? 71  E 1 c
ATOM 5153 H HD2  . ARG Exp E 67  ? 23.814 32.498 61.914 1   111.593 ? 71  E 1 c
ATOM 5154 H HE   . ARG Exp E 67  ? 24.505 34.97  61.194 1   145.244 ? 71  E 1 c
ATOM 5155 H HH11 . ARG Exp E 67  ? 23.743 34.164 64.527 1   177.524 ? 71  E 1 c
ATOM 5156 H HH12 . ARG Exp E 67  ? 25.131 33.512 64.484 1   178.401 ? 71  E 1 c
ATOM 5157 H HH21 . ARG Exp E 67  ? 26.235 35.968 62.515 1   141.136 ? 71  E 1 c
ATOM 5158 H HH22 . ARG Exp E 67  ? 25.624 36.315 63.879 1   141.111 ? 71  E 1 c
ATOM 5159 N N    . HIS Exp E 68  ? 17.949 33.14  59.569 1   52.55   ? 72  E 1 .
ATOM 5160 C CA   . HIS Exp E 68  ? 16.512 33.197 59.787 1   64.201  ? 72  E 1 .
ATOM 5161 C C    . HIS Exp E 68  ? 15.8   32.167 58.91  1   70.713  ? 72  E 1 .
ATOM 5162 O O    . HIS Exp E 68  ? 14.781 32.476 58.266 1   59.275  ? 72  E 1 .
ATOM 5163 C CB   . HIS Exp E 68  ? 15.971 34.59  59.449 1   68.663  ? 72  E 1 .
ATOM 5164 C CG   . HIS Exp E 68  ? 16.353 35.641 60.427 1   74.652  ? 72  E 1 .
ATOM 5165 N ND1  . HIS Exp E 68  ? 15.544 35.939 61.508 1   79.082  ? 72  E 1 .
ATOM 5166 C CD2  . HIS Exp E 68  ? 17.394 36.471 60.494 1   75.286  ? 72  E 1 .
ATOM 5167 C CE1  . HIS Exp E 68  ? 16.076 36.929 62.211 1   80.065  ? 72  E 1 .
ATOM 5168 N NE2  . HIS Exp E 68  ? 17.204 37.266 61.609 1   88.756  ? 72  E 1 .
ATOM 5169 H H    . HIS Exp E 68  ? 18.264 32.886 58.75  1   55.818  ? 72  E 1 c
ATOM 5170 H HA   . HIS Exp E 68  ? 16.317 32.986 60.729 1   63.723  ? 72  E 1 c
ATOM 5171 H HB3  . HIS Exp E 68  ? 14.991 34.545 59.407 1   69.012  ? 72  E 1 c
ATOM 5172 H HB2  . HIS Exp E 68  ? 16.295 34.848 58.56  1   68.976  ? 72  E 1 c
ATOM 5173 H HD1  . HIS Exp E 68  ? 14.951 35.644 61.731 0   37.17   ? 72  E 1 c
ATOM 5174 H HD2  . HIS Exp E 68  ? 18.112 36.525 59.896 1   77.871  ? 72  E 1 c
ATOM 5175 H HE1  . HIS Exp E 68  ? 15.728 37.309 63     1   81.666  ? 72  E 1 c
ATOM 5176 H HE2  . HIS Exp E 68  ? 17.93  38.016 61.727 0   52.23   ? 72  E 1 c
ATOM 5177 N N    . PHE Exp E 69  ? 16.357 30.947 58.896 1   68.244  ? 73  E 1 .
ATOM 5178 C CA   . PHE Exp E 69  ? 15.871 29.883 58.026 1   64.68   ? 73  E 1 .
ATOM 5179 C C    . PHE Exp E 69  ? 16.083 28.543 58.712 1   60.288  ? 73  E 1 .
ATOM 5180 O O    . PHE Exp E 69  ? 17.121 28.29  59.322 1   66.127  ? 73  E 1 .
ATOM 5181 C CB   . PHE Exp E 69  ? 16.58  29.824 56.67  1   67.526  ? 73  E 1 .
ATOM 5182 C CG   . PHE Exp E 69  ? 16.429 28.503 55.923 1   62.011  ? 73  E 1 .
ATOM 5183 C CD1  . PHE Exp E 69  ? 17.109 27.365 56.339 1   60.814  ? 73  E 1 .
ATOM 5184 C CD2  . PHE Exp E 69  ? 15.601 28.394 54.812 1   58.501  ? 73  E 1 .
ATOM 5185 C CE1  . PHE Exp E 69  ? 16.95  26.157 55.679 1   59.122  ? 73  E 1 .
ATOM 5186 C CE2  . PHE Exp E 69  ? 15.457 27.187 54.148 1   55.539  ? 73  E 1 .
ATOM 5187 C CZ   . PHE Exp E 69  ? 16.136 26.075 54.58  1   57.027  ? 73  E 1 .
ATOM 5188 H H    . PHE Exp E 69  ? 17.06  30.771 59.452 1   67.846  ? 73  E 1 c
ATOM 5189 H HA   . PHE Exp E 69  ? 14.899 30.016 57.873 1   64.867  ? 73  E 1 c
ATOM 5190 H HB3  . PHE Exp E 69  ? 17.536 29.999 56.813 1   65.612  ? 73  E 1 c
ATOM 5191 H HB2  . PHE Exp E 69  ? 16.223 30.544 56.108 1   65.495  ? 73  E 1 c
ATOM 5192 H HD1  . PHE Exp E 69  ? 17.676 27.41  57.092 1   60.684  ? 73  E 1 c
ATOM 5193 H HD2  . PHE Exp E 69  ? 15.126 29.152 54.511 1   58.673  ? 73  E 1 c
ATOM 5194 H HE1  . PHE Exp E 69  ? 17.427 25.395 55.97  1   59.012  ? 73  E 1 c
ATOM 5195 H HE2  . PHE Exp E 69  ? 14.89  27.13  53.396 1   56.659  ? 73  E 1 c
ATOM 5196 H HZ   . PHE Exp E 69  ? 16.038 25.255 54.124 1   57.227  ? 73  E 1 c
ATOM 5197 N N    . ILE Exp E 70  ? 15.094 27.671 58.573 1   56.368  ? 74  E 1 .
ATOM 5198 C CA   . ILE Exp E 70  ? 15.198 26.354 59.157 1   58.57   ? 74  E 1 .
ATOM 5199 C C    . ILE Exp E 70  ? 14.225 25.42  58.452 1   66.367  ? 74  E 1 .
ATOM 5200 O O    . ILE Exp E 70  ? 13.111 25.79  58.08  1   59.411  ? 74  E 1 .
ATOM 5201 C CB   . ILE Exp E 70  ? 14.915 26.413 60.659 1   56.997  ? 74  E 1 .
ATOM 5202 C CG1  . ILE Exp E 70  ? 15.151 25.075 61.298 1   57.239  ? 74  E 1 .
ATOM 5203 C CG2  . ILE Exp E 70  ? 13.495 26.928 60.903 1   62.205  ? 74  E 1 .
ATOM 5204 C CD1  . ILE Exp E 70  ? 15.663 25.177 62.716 1   64.259  ? 74  E 1 .
ATOM 5205 H H    . ILE Exp E 70  ? 14.341 27.897 58.107 1   57.934  ? 74  E 1 c
ATOM 5206 H HA   . ILE Exp E 70  ? 16.107 26.023 59.022 1   59.418  ? 74  E 1 c
ATOM 5207 H HB   . ILE Exp E 70  ? 15.54  27.05  61.059 1   58.344  ? 74  E 1 c
ATOM 5208 H HG12 . ILE Exp E 70  ? 15.802 24.576 60.764 1   58.934  ? 74  E 1 c
ATOM 5209 H HG13 . ILE Exp E 70  ? 14.314 24.573 61.3   1   58.99   ? 74  E 1 c
ATOM 5210 H HG21 . ILE Exp E 70  ? 13.39  27.156 61.842 1   60.618  ? 74  E 1 c
ATOM 5211 H HG22 . ILE Exp E 70  ? 12.85  26.24  60.667 1   60.628  ? 74  E 1 c
ATOM 5212 H HG23 . ILE Exp E 70  ? 13.335 27.718 60.362 1   60.579  ? 74  E 1 c
ATOM 5213 H HD11 . ILE Exp E 70  ? 16.63  25.309 62.706 1   62.091  ? 74  E 1 c
ATOM 5214 H HD12 . ILE Exp E 70  ? 15.454 24.354 63.198 1   62.111  ? 74  E 1 c
ATOM 5215 H HD13 . ILE Exp E 70  ? 15.238 25.932 63.165 1   62.068  ? 74  E 1 c
ATOM 5216 N N    . TYR Exp E 71  ? 14.67  24.18  58.29  1   73.552  ? 75  E 1 .
ATOM 5217 C CA   . TYR Exp E 71  ? 13.816 23.155 57.741 1   69.305  ? 75  E 1 .
ATOM 5218 C C    . TYR Exp E 71  ? 14.126 21.862 58.467 1   70.939  ? 75  E 1 .
ATOM 5219 O O    . TYR Exp E 71  ? 15.248 21.376 58.374 1   71.967  ? 75  E 1 .
ATOM 5220 C CB   . TYR Exp E 71  ? 14.093 23.045 56.247 1   71.577  ? 75  E 1 .
ATOM 5221 C CG   . TYR Exp E 71  ? 13.721 21.69  55.674 1   67.911  ? 75  E 1 .
ATOM 5222 C CD1  . TYR Exp E 71  ? 12.386 21.36  55.439 1   69.543  ? 75  E 1 .
ATOM 5223 C CD2  . TYR Exp E 71  ? 14.695 20.75  55.374 1   58.297  ? 75  E 1 .
ATOM 5224 C CE1  . TYR Exp E 71  ? 12.024 20.139 54.891 1   61.222  ? 75  E 1 .
ATOM 5225 C CE2  . TYR Exp E 71  ? 14.343 19.517 54.851 1   67.001  ? 75  E 1 .
ATOM 5226 C CZ   . TYR Exp E 71  ? 13.008 19.212 54.611 1   68.735  ? 75  E 1 .
ATOM 5227 O OH   . TYR Exp E 71  ? 12.653 17.997 54.102 1   76.127  ? 75  E 1 .
ATOM 5228 H H    . TYR Exp E 71  ? 15.528 23.968 58.522 1   70.511  ? 75  E 1 c
ATOM 5229 H HA   . TYR Exp E 71  ? 12.869 23.402 57.884 1   70.598  ? 75  E 1 c
ATOM 5230 H HB3  . TYR Exp E 71  ? 15.05  23.209 56.09  1   70.104  ? 75  E 1 c
ATOM 5231 H HB2  . TYR Exp E 71  ? 13.581 23.743 55.78  1   70.186  ? 75  E 1 c
ATOM 5232 H HD1  . TYR Exp E 71  ? 11.714 21.995 55.628 1   67.049  ? 75  E 1 c
ATOM 5233 H HD2  . TYR Exp E 71  ? 15.604 20.95  55.531 1   62.736  ? 75  E 1 c
ATOM 5234 H HE1  . TYR Exp E 71  ? 11.117 19.93  54.746 1   64.841  ? 75  E 1 c
ATOM 5235 H HE2  . TYR Exp E 71  ? 15.011 18.885 54.649 1   65.507  ? 75  E 1 c
ATOM 5236 H HH   . TYR Exp E 71  ? 11.839 17.916 54.044 0   89.3    ? 75  E 1 c
ATOM 5237 N N    . PHE Exp E 72  ? 13.105 21.303 59.124 1   76.807  ? 76  E 1 .
ATOM 5238 C CA   . PHE Exp E 72  ? 13.298 20.193 60.041 1   79.063  ? 76  E 1 .
ATOM 5239 C C    . PHE Exp E 72  ? 12.071 19.281 60.052 1   77.183  ? 76  E 1 .
ATOM 5240 O O    . PHE Exp E 72  ? 10.968 19.676 59.659 1   66.593  ? 76  E 1 .
ATOM 5241 C CB   . PHE Exp E 72  ? 13.6   20.783 61.424 1   87.972  ? 76  E 1 .
ATOM 5242 C CG   . PHE Exp E 72  ? 12.415 21.517 62.036 1   79.989  ? 76  E 1 .
ATOM 5243 C CD1  . PHE Exp E 72  ? 12.219 22.86  61.772 1   76.1    ? 76  E 1 .
ATOM 5244 C CD2  . PHE Exp E 72  ? 11.486 20.856 62.837 1   67.155  ? 76  E 1 .
ATOM 5245 C CE1  . PHE Exp E 72  ? 11.126 23.517 62.295 1   70.984  ? 76  E 1 .
ATOM 5246 C CE2  . PHE Exp E 72  ? 10.397 21.519 63.358 1   60.141  ? 76  E 1 .
ATOM 5247 C CZ   . PHE Exp E 72  ? 10.22  22.844 63.082 1   66.796  ? 76  E 1 .
ATOM 5248 H H    . PHE Exp E 72  ? 12.258 21.623 58.995 1   75.773  ? 76  E 1 c
ATOM 5249 H HA   . PHE Exp E 72  ? 14.085 19.664 59.742 1   79.721  ? 76  E 1 c
ATOM 5250 H HB3  . PHE Exp E 72  ? 14.356 21.406 61.342 1   83.931  ? 76  E 1 c
ATOM 5251 H HB2  . PHE Exp E 72  ? 13.868 20.053 62.025 1   83.834  ? 76  E 1 c
ATOM 5252 H HD1  . PHE Exp E 72  ? 12.826 23.322 61.218 1   75.38   ? 76  E 1 c
ATOM 5253 H HD2  . PHE Exp E 72  ? 11.601 19.937 63.019 1   68.263  ? 76  E 1 c
ATOM 5254 H HE1  . PHE Exp E 72  ? 11     24.435 62.114 1   71.099  ? 76  E 1 c
ATOM 5255 H HE2  . PHE Exp E 72  ? 9.78   21.062 63.905 1   63.583  ? 76  E 1 c
ATOM 5256 H HZ   . PHE Exp E 72  ? 9.488  23.306 63.448 1   66.612  ? 76  E 1 c
ATOM 5257 N N    . TYR Exp E 73  ? 12.284 18.056 60.552 1   82.679  ? 77  E 1 .
ATOM 5258 C CA   . TYR Exp E 73  ? 11.232 17.052 60.612 1   84.091  ? 77  E 1 .
ATOM 5259 C C    . TYR Exp E 73  ? 10.707 16.884 62.031 1   74.88   ? 77  E 1 .
ATOM 5260 O O    . TYR Exp E 73  ? 11.469 16.892 62.996 1   66.681  ? 77  E 1 .
ATOM 5261 C CB   . TYR Exp E 73  ? 11.728 15.691 60.132 1   79.084  ? 77  E 1 .
ATOM 5262 C CG   . TYR Exp E 73  ? 11.557 15.467 58.644 1   67.356  ? 77  E 1 .
ATOM 5263 C CD1  . TYR Exp E 73  ? 10.354 15.715 58.036 1   61.208  ? 77  E 1 .
ATOM 5264 C CD2  . TYR Exp E 73  ? 12.603 15.02  57.855 1   77.215  ? 77  E 1 .
ATOM 5265 C CE1  . TYR Exp E 73  ? 10.178 15.488 56.683 1   76.622  ? 77  E 1 .
ATOM 5266 C CE2  . TYR Exp E 73  ? 12.445 14.791 56.499 1   83.939  ? 77  E 1 .
ATOM 5267 C CZ   . TYR Exp E 73  ? 11.221 15.031 55.901 1   76.903  ? 77  E 1 .
ATOM 5268 O OH   . TYR Exp E 73  ? 10.981 14.812 54.567 1   69.29   ? 77  E 1 .
ATOM 5269 H H    . TYR Exp E 73  ? 13.114 17.841 60.869 1   81.579  ? 77  E 1 c
ATOM 5270 H HA   . TYR Exp E 73  ? 10.486 17.344 60.03  1   80.55   ? 77  E 1 c
ATOM 5271 H HB3  . TYR Exp E 73  ? 11.239 14.989 60.616 1   77.322  ? 77  E 1 c
ATOM 5272 H HB2  . TYR Exp E 73  ? 12.68  15.607 60.359 1   77.526  ? 77  E 1 c
ATOM 5273 H HD1  . TYR Exp E 73  ? 9.626  16.008 58.553 1   66.669  ? 77  E 1 c
ATOM 5274 H HD2  . TYR Exp E 73  ? 13.439 14.843 58.255 1   76.21   ? 77  E 1 c
ATOM 5275 H HE1  . TYR Exp E 73  ? 9.338  15.649 56.289 1   72.681  ? 77  E 1 c
ATOM 5276 H HE2  . TYR Exp E 73  ? 13.165 14.474 55.984 1   80.724  ? 77  E 1 c
ATOM 5277 H HH   . TYR Exp E 73  ? 10.411 14.982 54.306 0   114.72  ? 77  E 1 c
ATOM 5278 N N    . LEU Exp E 74  ? 9.388  16.71  62.115 1   69.606  ? 78  E 1 .
ATOM 5279 C CA   . LEU Exp E 74  ? 8.736  16.387 63.367 1   74.874  ? 78  E 1 .
ATOM 5280 C C    . LEU Exp E 74  ? 7.931  15.13  63.115 1   79.896  ? 78  E 1 .
ATOM 5281 O O    . LEU Exp E 74  ? 6.88   15.165 62.467 1   84.22   ? 78  E 1 .
ATOM 5282 C CB   . LEU Exp E 74  ? 7.85   17.545 63.824 1   83.672  ? 78  E 1 .
ATOM 5283 C CG   . LEU Exp E 74  ? 8.092  18.062 65.248 1   81.326  ? 78  E 1 .
ATOM 5284 C CD1  . LEU Exp E 74  ? 9.593  18.027 65.582 1   82.571  ? 78  E 1 .
ATOM 5285 C CD2  . LEU Exp E 74  ? 7.515  19.475 65.414 1   70.29   ? 78  E 1 .
ATOM 5286 H H    . LEU Exp E 74  ? 8.874  16.798 61.364 1   72.206  ? 78  E 1 c
ATOM 5287 H HA   . LEU Exp E 74  ? 9.424  16.197 64.049 1   76.436  ? 78  E 1 c
ATOM 5288 H HB3  . LEU Exp E 74  ? 6.908  17.264 63.755 1   81.029  ? 78  E 1 c
ATOM 5289 H HB2  . LEU Exp E 74  ? 7.976  18.294 63.197 1   80.857  ? 78  E 1 c
ATOM 5290 H HG   . LEU Exp E 74  ? 7.622  17.461 65.881 1   79.798  ? 78  E 1 c
ATOM 5291 H HD11 . LEU Exp E 74  ? 9.841  17.137 65.881 1   82.122  ? 78  E 1 c
ATOM 5292 H HD12 . LEU Exp E 74  ? 9.783  18.667 66.288 1   82.023  ? 78  E 1 c
ATOM 5293 H HD13 . LEU Exp E 74  ? 10.11  18.26  64.792 1   82.002  ? 78  E 1 c
ATOM 5294 H HD21 . LEU Exp E 74  ? 6.55   19.447 65.305 1   73.406  ? 78  E 1 c
ATOM 5295 H HD22 . LEU Exp E 74  ? 7.899  20.064 64.743 1   73.478  ? 78  E 1 c
ATOM 5296 H HD23 . LEU Exp E 74  ? 7.73   19.813 66.3   1   73.494  ? 78  E 1 c
ATOM 5297 N N    . GLY Exp E 75  ? 8.474  14.017 63.599 1   87.062  ? 79  E 1 .
ATOM 5298 C CA   . GLY Exp E 75  ? 7.954  12.717 63.221 1   108.525 ? 79  E 1 .
ATOM 5299 C C    . GLY Exp E 75  ? 8.278  12.418 61.761 1   103.913 ? 79  E 1 .
ATOM 5300 O O    . GLY Exp E 75  ? 9.416  12.077 61.43  1   113.069 ? 79  E 1 .
ATOM 5301 H H    . GLY Exp E 75  ? 9.18   14.063 64.178 1   89.411  ? 79  E 1 c
ATOM 5302 H HA3  . GLY Exp E 75  ? 6.977  12.702 63.358 1   101.611 ? 79  E 1 c
ATOM 5303 H HA2  . GLY Exp E 75  ? 8.355  12.026 63.798 1   101.896 ? 79  E 1 c
ATOM 5304 N N    . GLN Exp E 76  ? 7.269  12.573 60.901 1   90.015  ? 80  E 1 .
ATOM 5305 C CA   . GLN Exp E 76  ? 7.487  12.509 59.466 1   97.784  ? 80  E 1 .
ATOM 5306 C C    . GLN Exp E 76  ? 6.767  13.676 58.791 1   91.615  ? 80  E 1 .
ATOM 5307 O O    . GLN Exp E 76  ? 6.382  13.593 57.628 1   84.25   ? 80  E 1 .
ATOM 5308 C CB   . GLN Exp E 76  ? 7.134  11.13  58.902 1   112.102 ? 80  E 1 .
ATOM 5309 C CG   . GLN Exp E 76  ? 6.123  10.349 59.733 1   123.897 ? 80  E 1 .
ATOM 5310 C CD   . GLN Exp E 76  ? 4.744  10.972 59.776 1   136.152 ? 80  E 1 .
ATOM 5311 O OE1  . GLN Exp E 76  ? 4.5    12.016 60.398 1   153.989 ? 80  E 1 .
ATOM 5312 N NE2  . GLN Exp E 76  ? 3.805  10.282 59.148 1   136.027 ? 80  E 1 .
ATOM 5313 H H    . GLN Exp E 76  ? 6.423  12.723 61.216 1   95.268  ? 80  E 1 c
ATOM 5314 H HA   . GLN Exp E 76  ? 8.456  12.636 59.304 1   97.647  ? 80  E 1 c
ATOM 5315 H HB3  . GLN Exp E 76  ? 7.958  10.603 58.835 1   111.115 ? 80  E 1 c
ATOM 5316 H HB2  . GLN Exp E 76  ? 6.781  11.238 57.995 1   110.871 ? 80  E 1 c
ATOM 5317 H HG3  . GLN Exp E 76  ? 6.456  10.265 60.651 1   123.563 ? 80  E 1 c
ATOM 5318 H HG2  . GLN Exp E 76  ? 6.042  9.443  59.366 1   123.877 ? 80  E 1 c
ATOM 5319 H HE21 . GLN Exp E 76  ? 3.033  10.117 59.552 1   136.042 ? 80  E 1 c
ATOM 5320 H HE22 . GLN Exp E 76  ? 3.95   9.987  58.325 1   135.965 ? 80  E 1 c
ATOM 5321 N N    . VAL Exp E 77  ? 6.652  14.798 59.508 1   91.178  ? 81  E 1 .
ATOM 5322 C CA   . VAL Exp E 77  ? 6.14   16.023 58.915 1   80.748  ? 81  E 1 .
ATOM 5323 C C    . VAL Exp E 77  ? 7.278  17.019 58.671 1   88.247  ? 81  E 1 .
ATOM 5324 O O    . VAL Exp E 77  ? 7.995  17.41  59.603 1   78.257  ? 81  E 1 .
ATOM 5325 C CB   . VAL Exp E 77  ? 5.071  16.634 59.829 1   65.633  ? 81  E 1 .
ATOM 5326 C CG1  . VAL Exp E 77  ? 4.35   17.794 59.143 1   60.274  ? 81  E 1 .
ATOM 5327 C CG2  . VAL Exp E 77  ? 4.117  15.553 60.316 1   67.419  ? 81  E 1 .
ATOM 5328 H H    . VAL Exp E 77  ? 6.906  14.808 60.385 1   88.756  ? 81  E 1 c
ATOM 5329 H HA   . VAL Exp E 77  ? 5.725  15.806 58.059 1   80.76   ? 81  E 1 c
ATOM 5330 H HB   . VAL Exp E 77  ? 5.537  16.997 60.618 1   67.635  ? 81  E 1 c
ATOM 5331 H HG11 . VAL Exp E 77  ? 4.127  17.545 58.23  1   61.95   ? 81  E 1 c
ATOM 5332 H HG12 . VAL Exp E 77  ? 4.928  18.576 59.132 1   61.943  ? 81  E 1 c
ATOM 5333 H HG13 . VAL Exp E 77  ? 3.534  18.004 59.628 1   61.889  ? 81  E 1 c
ATOM 5334 H HG21 . VAL Exp E 77  ? 3.286  15.961 60.611 1   66.879  ? 81  E 1 c
ATOM 5335 H HG22 . VAL Exp E 77  ? 4.521  15.074 61.059 1   67.028  ? 81  E 1 c
ATOM 5336 H HG23 . VAL Exp E 77  ? 3.933  14.932 59.592 1   67.08   ? 81  E 1 c
ATOM 5337 N N    . ALA Exp E 78  ? 7.4    17.448 57.403 1   76.828  ? 82  E 1 .
ATOM 5338 C CA   . ALA Exp E 78  ? 8.382  18.44  57.002 1   63.025  ? 82  E 1 .
ATOM 5339 C C    . ALA Exp E 78  ? 7.918  19.818 57.443 1   73.392  ? 82  E 1 .
ATOM 5340 O O    . ALA Exp E 78  ? 6.769  20.212 57.201 1   65.573  ? 82  E 1 .
ATOM 5341 C CB   . ALA Exp E 78  ? 8.563  18.425 55.516 1   61.115  ? 82  E 1 .
ATOM 5342 H H    . ALA Exp E 78  ? 6.843  17.105 56.765 1   75.742  ? 82  E 1 c
ATOM 5343 H HA   . ALA Exp E 78  ? 9.249  18.232 57.448 1   67.223  ? 82  E 1 c
ATOM 5344 H HB3  . ALA Exp E 78  ? 8.872  19.296 55.215 1   61.741  ? 82  E 1 c
ATOM 5345 H HB2  . ALA Exp E 78  ? 7.721  18.217 55.082 1   61.828  ? 82  E 1 c
ATOM 5346 H HB1  . ALA Exp E 78  ? 9.221  17.753 55.274 1   61.966  ? 82  E 1 c
ATOM 5347 N N    . ILE Exp E 79  ? 8.845  20.551 58.069 1   81.226  ? 83  E 1 .
ATOM 5348 C CA   . ILE Exp E 79  ? 8.577  21.914 58.487 1   71.634  ? 83  E 1 .
ATOM 5349 C C    . ILE Exp E 79  ? 9.659  22.852 57.956 1   59.534  ? 83  E 1 .
ATOM 5350 O O    . ILE Exp E 79  ? 10.827 22.776 58.322 1   48.858  ? 83  E 1 .
ATOM 5351 C CB   . ILE Exp E 79  ? 8.447  21.97  60.009 1   77.066  ? 83  E 1 .
ATOM 5352 C CG1  . ILE Exp E 79  ? 7.2    21.207 60.469 1   79.166  ? 83  E 1 .
ATOM 5353 C CG2  . ILE Exp E 79  ? 8.446  23.426 60.463 1   81.57   ? 83  E 1 .
ATOM 5354 C CD1  . ILE Exp E 79  ? 7.131  20.993 61.967 1   91.273  ? 83  E 1 .
ATOM 5355 H H    . ILE Exp E 79  ? 9.668  20.191 58.239 1   76.863  ? 83  E 1 c
ATOM 5356 H HA   . ILE Exp E 79  ? 7.722  22.187 58.105 1   71.632  ? 83  E 1 c
ATOM 5357 H HB   . ILE Exp E 79  ? 9.229  21.531 60.397 1   77.16   ? 83  E 1 c
ATOM 5358 H HG12 . ILE Exp E 79  ? 7.178  20.336 60.026 1   81.225  ? 83  E 1 c
ATOM 5359 H HG13 . ILE Exp E 79  ? 6.409  21.707 60.19  1   81.078  ? 83  E 1 c
ATOM 5360 H HG21 . ILE Exp E 79  ? 8.141  23.481 61.384 1   80.162  ? 83  E 1 c
ATOM 5361 H HG22 . ILE Exp E 79  ? 7.848  23.943 59.897 1   80.014  ? 83  E 1 c
ATOM 5362 H HG23 . ILE Exp E 79  ? 9.343  23.79  60.4   1   79.996  ? 83  E 1 c
ATOM 5363 H HD11 . ILE Exp E 79  ? 8.006  20.724 62.302 1   87.333  ? 83  E 1 c
ATOM 5364 H HD12 . ILE Exp E 79  ? 6.479  20.295 62.167 1   87.464  ? 83  E 1 c
ATOM 5365 H HD13 . ILE Exp E 79  ? 6.858  21.824 62.4   1   87.449  ? 83  E 1 c
ATOM 5366 N N    . LEU Exp E 80  ? 9.226  23.753 57.082 1   55.699  ? 84  E 1 .
ATOM 5367 C CA   . LEU Exp E 80  ? 10.096 24.779 56.552 1   60.245  ? 84  E 1 .
ATOM 5368 C C    . LEU Exp E 80  ? 9.606  26.159 56.997 1   63.599  ? 84  E 1 .
ATOM 5369 O O    . LEU Exp E 80  ? 8.414  26.447 57.019 1   64.727  ? 84  E 1 .
ATOM 5370 C CB   . LEU Exp E 80  ? 10.077 24.636 55.038 1   58.775  ? 84  E 1 .
ATOM 5371 C CG   . LEU Exp E 80  ? 10.351 25.934 54.276 1   59.173  ? 84  E 1 .
ATOM 5372 C CD1  . LEU Exp E 80  ? 11.85  26.157 54.094 1   53.904  ? 84  E 1 .
ATOM 5373 C CD2  . LEU Exp E 80  ? 9.593  25.954 52.961 1   62.501  ? 84  E 1 .
ATOM 5374 H H    . LEU Exp E 80  ? 8.355  23.731 56.806 1   57.825  ? 84  E 1 c
ATOM 5375 H HA   . LEU Exp E 80  ? 11.016 24.632 56.887 1   59.541  ? 84  E 1 c
ATOM 5376 H HB3  . LEU Exp E 80  ? 9.195  24.291 54.77  1   59.205  ? 84  E 1 c
ATOM 5377 H HB2  . LEU Exp E 80  ? 10.758 23.972 54.781 1   59.217  ? 84  E 1 c
ATOM 5378 H HG   . LEU Exp E 80  ? 10.005 26.688 54.816 1   58.716  ? 84  E 1 c
ATOM 5379 H HD11 . LEU Exp E 80  ? 12.295 26.092 54.955 1   55.416  ? 84  E 1 c
ATOM 5380 H HD12 . LEU Exp E 80  ? 12.004 27.039 53.716 1   55.364  ? 84  E 1 c
ATOM 5381 H HD13 . LEU Exp E 80  ? 12.209 25.482 53.494 1   55.433  ? 84  E 1 c
ATOM 5382 H HD21 . LEU Exp E 80  ? 8.828  25.363 53.012 1   61.348  ? 84  E 1 c
ATOM 5383 H HD22 . LEU Exp E 80  ? 10.18  25.657 52.245 1   61.374  ? 84  E 1 c
ATOM 5384 H HD23 . LEU Exp E 80  ? 9.293  26.859 52.775 1   61.436  ? 84  E 1 c
ATOM 5385 N N    . LEU Exp E 81  ? 10.556 27.038 57.293 1   57.309  ? 85  E 1 .
ATOM 5386 C CA   . LEU Exp E 81  ? 10.264 28.257 58.012 1   53.907  ? 85  E 1 .
ATOM 5387 C C    . LEU Exp E 81  ? 11.431 29.218 57.849 1   54.922  ? 85  E 1 .
ATOM 5388 O O    . LEU Exp E 81  ? 12.547 28.92  58.292 1   56.515  ? 85  E 1 .
ATOM 5389 C CB   . LEU Exp E 81  ? 10.079 27.894 59.478 1   54.814  ? 85  E 1 .
ATOM 5390 C CG   . LEU Exp E 81  ? 9.833  29.073 60.416 1   56.141  ? 85  E 1 .
ATOM 5391 C CD1  . LEU Exp E 81  ? 8.466  29.665 60.003 1   57.017  ? 85  E 1 .
ATOM 5392 C CD2  . LEU Exp E 81  ? 9.918  28.617 61.871 1   54.9    ? 85  E 1 .
ATOM 5393 H H    . LEU Exp E 81  ? 11.417 26.873 57.036 1   57.925  ? 85  E 1 c
ATOM 5394 H HA   . LEU Exp E 81  ? 9.437  28.658 57.654 1   55      ? 85  E 1 c
ATOM 5395 H HB3  . LEU Exp E 81  ? 10.887 27.418 59.781 1   54.953  ? 85  E 1 c
ATOM 5396 H HB2  . LEU Exp E 81  ? 9.319  27.272 59.551 1   54.972  ? 85  E 1 c
ATOM 5397 H HG   . LEU Exp E 81  ? 10.534 29.756 60.259 1   55.814  ? 85  E 1 c
ATOM 5398 H HD11 . LEU Exp E 81  ? 8.572  30.201 59.199 1   56.729  ? 85  E 1 c
ATOM 5399 H HD12 . LEU Exp E 81  ? 8.126  30.226 60.721 1   56.749  ? 85  E 1 c
ATOM 5400 H HD13 . LEU Exp E 81  ? 7.835  28.946 59.831 1   56.729  ? 85  E 1 c
ATOM 5401 H HD21 . LEU Exp E 81  ? 10.842 28.413 62.094 1   55.262  ? 85  E 1 c
ATOM 5402 H HD22 . LEU Exp E 81  ? 9.373  27.822 61.995 1   55.262  ? 85  E 1 c
ATOM 5403 H HD23 . LEU Exp E 81  ? 9.594  29.324 62.453 1   55.262  ? 85  E 1 c
ATOM 5404 N N    . PHE Exp E 82  ? 11.144 30.382 57.253 1   52.216  ? 86  E 1 .
ATOM 5405 C CA   . PHE Exp E 82  ? 12.182 31.353 56.972 1   53.766  ? 86  E 1 .
ATOM 5406 C C    . PHE Exp E 82  ? 11.58  32.746 56.812 1   60.388  ? 86  E 1 .
ATOM 5407 O O    . PHE Exp E 82  ? 10.387 32.866 56.516 1   48.504  ? 86  E 1 .
ATOM 5408 C CB   . PHE Exp E 82  ? 12.87  30.868 55.696 1   54.656  ? 86  E 1 .
ATOM 5409 C CG   . PHE Exp E 82  ? 11.982 30.968 54.458 1   50.886  ? 86  E 1 .
ATOM 5410 C CD1  . PHE Exp E 82  ? 11.989 32.118 53.678 1   50.856  ? 86  E 1 .
ATOM 5411 C CD2  . PHE Exp E 82  ? 11.166 29.915 54.065 1   46.954  ? 86  E 1 .
ATOM 5412 C CE1  . PHE Exp E 82  ? 11.193 32.221 52.555 1   51.55   ? 86  E 1 .
ATOM 5413 C CE2  . PHE Exp E 82  ? 10.394 30.015 52.922 1   48.092  ? 86  E 1 .
ATOM 5414 C CZ   . PHE Exp E 82  ? 10.401 31.168 52.177 1   51.909  ? 86  E 1 .
ATOM 5415 H H    . PHE Exp E 82  ? 10.282 30.573 57.017 1   53.264  ? 86  E 1 c
ATOM 5416 H HA   . PHE Exp E 82  ? 12.834 31.358 57.718 1   54.886  ? 86  E 1 c
ATOM 5417 H HB3  . PHE Exp E 82  ? 13.144 29.932 55.819 1   53.599  ? 86  E 1 c
ATOM 5418 H HB2  . PHE Exp E 82  ? 13.679 31.406 55.553 1   53.66   ? 86  E 1 c
ATOM 5419 H HD1  . PHE Exp E 82  ? 12.532 32.847 53.933 1   51.013  ? 86  E 1 c
ATOM 5420 H HD2  . PHE Exp E 82  ? 11.158 29.117 54.569 1   48.251  ? 86  E 1 c
ATOM 5421 H HE1  . PHE Exp E 82  ? 11.208 33.011 52.039 1   51.425  ? 86  E 1 c
ATOM 5422 H HE2  . PHE Exp E 82  ? 9.837  29.296 52.669 1   48.75   ? 86  E 1 c
ATOM 5423 H HZ   . PHE Exp E 82  ? 9.859  31.238 51.407 1   50.948  ? 86  E 1 c
ATOM 5424 N N    . LYS Exp E 83  ? 12.453 33.768 56.941 1   72.409  ? 87  E 1 .
ATOM 5425 C CA   . LYS Exp E 83  ? 12.081 35.173 56.805 1   72.462  ? 87  E 1 .
ATOM 5426 C C    . LYS Exp E 83  ? 12.587 35.79  55.496 1   53.03   ? 87  E 1 .
ATOM 5427 O O    . LYS Exp E 83  ? 13.717 35.587 55.085 1   47.508  ? 87  E 1 .
ATOM 5428 C CB   . LYS Exp E 83  ? 12.619 35.936 58.021 1   87.862  ? 87  E 1 .
ATOM 5429 C CG   . LYS Exp E 83  ? 12.383 37.445 57.993 1   90.513  ? 87  E 1 .
ATOM 5430 C CD   . LYS Exp E 83  ? 12.247 38.071 59.374 1   87.615  ? 87  E 1 .
ATOM 5431 C CE   . LYS Exp E 83  ? 12.754 39.453 59.428 1   94.795  ? 87  E 1 .
ATOM 5432 N NZ   . LYS Exp E 83  ? 13.971 39.516 60.236 1   114.936 ? 87  E 1 .
ATOM 5433 H H    . LYS Exp E 83  ? 13.327 33.571 57.123 1   69.098  ? 87  E 1 c
ATOM 5434 H HA   . LYS Exp E 83  ? 11.096 35.231 56.816 1   70.31   ? 87  E 1 c
ATOM 5435 H HB3  . LYS Exp E 83  ? 13.584 35.776 58.088 1   84.531  ? 87  E 1 c
ATOM 5436 H HB2  . LYS Exp E 83  ? 12.2   35.571 58.829 1   84.589  ? 87  E 1 c
ATOM 5437 H HG3  . LYS Exp E 83  ? 11.568 37.627 57.479 1   88.827  ? 87  E 1 c
ATOM 5438 H HG2  . LYS Exp E 83  ? 13.134 37.867 57.521 1   89.248  ? 87  E 1 c
ATOM 5439 H HD3  . LYS Exp E 83  ? 12.738 37.521 60.024 1   90.225  ? 87  E 1 c
ATOM 5440 H HD2  . LYS Exp E 83  ? 11.3   38.068 59.633 1   89.972  ? 87  E 1 c
ATOM 5441 H HE3  . LYS Exp E 83  ? 12.086 40.029 59.836 1   97.268  ? 87  E 1 c
ATOM 5442 H HE2  . LYS Exp E 83  ? 12.943 39.788 58.533 1   97.302  ? 87  E 1 c
ATOM 5443 H HZ1  . LYS Exp E 83  ? 14.592 38.946 59.904 1   108.006 ? 87  E 1 c
ATOM 5444 H HZ2  . LYS Exp E 83  ? 13.784 39.29  61.093 1   108.105 ? 87  E 1 c
ATOM 5445 H HZ3  . LYS Exp E 83  ? 14.303 40.359 60.218 1   108.212 ? 87  E 1 c
ATOM 5446 N N    . SER Exp E 84  ? 11.75  36.603 54.86  1   49.444  ? 88  E 1 .
ATOM 5447 C CA   . SER Exp E 84  ? 12.086 37.165 53.567 1   59.87   ? 88  E 1 .
ATOM 5448 C C    . SER Exp E 84  ? 11.095 38.276 53.21  1   64.25   ? 88  E 1 .
ATOM 5449 O O    . SER Exp E 84  ? 10.056 38.037 52.583 1   42.72   ? 88  E 1 .
ATOM 5450 C CB   . SER Exp E 84  ? 12.121 36.068 52.507 1   67.462  ? 88  E 1 .
ATOM 5451 O OG   . SER Exp E 84  ? 12.858 36.435 51.345 1   69.003  ? 88  E 1 .
ATOM 5452 H H    . SER Exp E 84  ? 10.947 36.817 55.241 1   52.817  ? 88  E 1 c
ATOM 5453 H HA   . SER Exp E 84  ? 12.99  37.566 53.63  1   59.826  ? 88  E 1 c
ATOM 5454 H HB3  . SER Exp E 84  ? 11.207 35.847 52.248 1   65.809  ? 88  E 1 c
ATOM 5455 H HB2  . SER Exp E 84  ? 12.517 35.265 52.891 1   65.795  ? 88  E 1 c
ATOM 5456 H HG   . SER Exp E 84  ? 12.838 35.906 50.806 0   71.23   ? 88  E 1 c
ATOM 5457 N N    . GLY Exp E 85  ? 11.438 39.505 53.635 1   82.319  ? 89  E 1 .
ATOM 5458 C CA   . GLY Exp E 85  ? 10.729 40.71  53.212 1   95.348  ? 89  E 1 .
ATOM 5459 C C    . GLY Exp E 85  ? 10.165 41.534 54.372 1   106.858 ? 89  E 1 .
ATOM 5460 O O    . GLY Exp E 85  ? 9.792  42.705 54.113 1   112.101 ? 89  E 1 .
ATOM 5461 O OXT  . GLY Exp E 85  ? 10.092 40.999 55.499 1   97.719  ? 89  E 1 .
ATOM 5462 H H    . GLY Exp E 85  ? 12.14  39.594 54.214 1   79.823  ? 89  E 1 c
ATOM 5463 H HA3  . GLY Exp E 85  ? 9.991  40.453 52.611 1   93.732  ? 89  E 1 c
ATOM 5464 H HA2  . GLY Exp E 85  ? 11.35  41.272 52.693 1   94.371  ? 89  E 1 c
ATOM 5465 N N    . LYS Fxp F 1   ? -3.707 21.491 30.686 1   115.653 ? 5   F 1 .
ATOM 5466 C CA   . LYS Fxp F 1   ? -4.299 20.661 31.773 1   126.399 ? 5   F 1 .
ATOM 5467 C C    . LYS Fxp F 1   ? -3.855 21.208 33.136 1   118.875 ? 5   F 1 .
ATOM 5468 O O    . LYS Fxp F 1   ? -3.357 20.462 33.98  1   114.979 ? 5   F 1 .
ATOM 5469 C CB   . LYS Fxp F 1   ? -3.905 19.192 31.535 1   134.834 ? 5   F 1 .
ATOM 5470 C CG   . LYS Fxp F 1   ? -4.737 18.116 32.253 1   137.563 ? 5   F 1 .
ATOM 5471 C CD   . LYS Fxp F 1   ? -4.289 17.733 33.665 1   132.265 ? 5   F 1 .
ATOM 5472 C CE   . LYS Fxp F 1   ? -5.387 17.192 34.53  1   122.265 ? 5   F 1 .
ATOM 5473 N NZ   . LYS Fxp F 1   ? -5.825 15.882 34.043 1   113.234 ? 5   F 1 .
ATOM 5474 H H    . LYS Fxp F 1   ? -3.882 21.123 29.882 1   119     ? 5   F 1 c
ATOM 5475 H H2   . LYS Fxp F 1   ? -2.814 21.549 30.793 1   118.852 ? 5   F 1 c
ATOM 5476 H H3   . LYS Fxp F 1   ? -4.058 22.322 30.701 1   118.682 ? 5   F 1 c
ATOM 5477 H HA   . LYS Fxp F 1   ? -5.285 20.734 31.714 1   124.336 ? 5   F 1 c
ATOM 5478 H HB3  . LYS Fxp F 1   ? -2.968 19.079 31.804 1   133.326 ? 5   F 1 c
ATOM 5479 H HB2  . LYS Fxp F 1   ? -3.953 19.015 30.572 1   133.231 ? 5   F 1 c
ATOM 5480 H HG3  . LYS Fxp F 1   ? -4.732 17.307 31.696 1   135.685 ? 5   F 1 c
ATOM 5481 H HG2  . LYS Fxp F 1   ? -5.666 18.43  32.296 1   135.547 ? 5   F 1 c
ATOM 5482 H HD3  . LYS Fxp F 1   ? -3.902 18.517 34.103 1   130.793 ? 5   F 1 c
ATOM 5483 H HD2  . LYS Fxp F 1   ? -3.58  17.057 33.595 1   130.885 ? 5   F 1 c
ATOM 5484 H HE3  . LYS Fxp F 1   ? -6.143 17.805 34.525 1   122.318 ? 5   F 1 c
ATOM 5485 H HE2  . LYS Fxp F 1   ? -5.069 17.103 35.446 1   122.253 ? 5   F 1 c
ATOM 5486 H HZ1  . LYS Fxp F 1   ? -5.111 15.333 33.943 1   116.15  ? 5   F 1 c
ATOM 5487 H HZ2  . LYS Fxp F 1   ? -6.246 15.973 33.246 1   116.081 ? 5   F 1 c
ATOM 5488 H HZ3  . LYS Fxp F 1   ? -6.399 15.514 34.64  1   116.007 ? 5   F 1 c
ATOM 5489 N N    . ALA Fxp F 2   ? -4.064 22.512 33.364 1   103.323 ? 6   F 1 .
ATOM 5490 C CA   . ALA Fxp F 2   ? -3.565 23.175 34.56  1   85.6    ? 6   F 1 .
ATOM 5491 C C    . ALA Fxp F 2   ? -4.68  23.945 35.257 1   84.634  ? 6   F 1 .
ATOM 5492 O O    . ALA Fxp F 2   ? -5.26  24.856 34.669 1   90.438  ? 6   F 1 .
ATOM 5493 C CB   . ALA Fxp F 2   ? -2.438 24.099 34.196 1   82.964  ? 6   F 1 .
ATOM 5494 H H    . ALA Fxp F 2   ? -4.542 23.002 32.758 1   102.734 ? 6   F 1 c
ATOM 5495 H HA   . ALA Fxp F 2   ? -3.224 22.481 35.187 1   88.359  ? 6   F 1 c
ATOM 5496 H HB3  . ALA Fxp F 2   ? -1.96  24.364 35     1   83.746  ? 6   F 1 c
ATOM 5497 H HB2  . ALA Fxp F 2   ? -2.79  24.89  33.756 1   83.776  ? 6   F 1 c
ATOM 5498 H HB1  . ALA Fxp F 2   ? -1.824 23.644 33.595 1   83.726  ? 6   F 1 c
ATOM 5499 N N    . VAL Fxp F 3   ? -4.921 23.592 36.528 1   86.464  ? 7   F 1 .
ATOM 5500 C CA   . VAL Fxp F 3   ? -6.011 24.153 37.313 1   84.066  ? 7   F 1 .
ATOM 5501 C C    . VAL Fxp F 3   ? -5.457 25.217 38.258 1   81.814  ? 7   F 1 .
ATOM 5502 O O    . VAL Fxp F 3   ? -4.598 24.914 39.088 1   84.063  ? 7   F 1 .
ATOM 5503 C CB   . VAL Fxp F 3   ? -6.754 23.062 38.106 1   80.114  ? 7   F 1 .
ATOM 5504 C CG1  . VAL Fxp F 3   ? -7.525 23.649 39.278 1   89.117  ? 7   F 1 .
ATOM 5505 C CG2  . VAL Fxp F 3   ? -7.677 22.235 37.225 1   77.68   ? 7   F 1 .
ATOM 5506 H H    . VAL Fxp F 3   ? -4.376 22.975 36.925 1   85.479  ? 7   F 1 c
ATOM 5507 H HA   . VAL Fxp F 3   ? -6.645 24.577 36.703 1   83.351  ? 7   F 1 c
ATOM 5508 H HB   . VAL Fxp F 3   ? -6.07  22.455 38.474 1   82.007  ? 7   F 1 c
ATOM 5509 H HG11 . VAL Fxp F 3   ? -7.955 24.477 39.004 1   86.289  ? 7   F 1 c
ATOM 5510 H HG12 . VAL Fxp F 3   ? -6.916 23.827 40.014 1   86.299  ? 7   F 1 c
ATOM 5511 H HG13 . VAL Fxp F 3   ? -8.204 23.017 39.568 1   86.231  ? 7   F 1 c
ATOM 5512 H HG21 . VAL Fxp F 3   ? -8.036 21.491 37.738 1   78.441  ? 7   F 1 c
ATOM 5513 H HG22 . VAL Fxp F 3   ? -7.179 21.892 36.464 1   78.402  ? 7   F 1 c
ATOM 5514 H HG23 . VAL Fxp F 3   ? -8.409 22.791 36.908 1   78.402  ? 7   F 1 c
ATOM 5515 N N    . ILE Fxp F 4   ? -6.017 26.431 38.168 1   77      ? 8   F 1 .
ATOM 5516 C CA   . ILE Fxp F 4   ? -5.529 27.55  38.956 1   83.976  ? 8   F 1 .
ATOM 5517 C C    . ILE Fxp F 4   ? -6.381 27.636 40.213 1   85.899  ? 8   F 1 .
ATOM 5518 O O    . ILE Fxp F 4   ? -7.553 27.994 40.145 1   109.366 ? 8   F 1 .
ATOM 5519 C CB   . ILE Fxp F 4   ? -5.556 28.867 38.158 1   87.023  ? 8   F 1 .
ATOM 5520 C CG1  . ILE Fxp F 4   ? -4.937 28.705 36.775 1   86.614  ? 8   F 1 .
ATOM 5521 C CG2  . ILE Fxp F 4   ? -4.884 29.997 38.946 1   85.87   ? 8   F 1 .
ATOM 5522 C CD1  . ILE Fxp F 4   ? -3.512 29.219 36.654 1   85.005  ? 8   F 1 .
ATOM 5523 H H    . ILE Fxp F 4   ? -6.723 26.564 37.603 1   79.772  ? 8   F 1 c
ATOM 5524 H HA   . ILE Fxp F 4   ? -4.605 27.369 39.214 1   83.322  ? 8   F 1 c
ATOM 5525 H HB   . ILE Fxp F 4   ? -6.494 29.113 38.03  1   86.267  ? 8   F 1 c
ATOM 5526 H HG12 . ILE Fxp F 4   ? -5.496 29.182 36.128 1   86.312  ? 8   F 1 c
ATOM 5527 H HG13 . ILE Fxp F 4   ? -4.947 27.757 36.532 1   86.213  ? 8   F 1 c
ATOM 5528 H HG21 . ILE Fxp F 4   ? -4.812 30.789 38.387 1   86.191  ? 8   F 1 c
ATOM 5529 H HG22 . ILE Fxp F 4   ? -3.996 29.718 39.228 1   86.191  ? 8   F 1 c
ATOM 5530 H HG23 . ILE Fxp F 4   ? -5.417 30.208 39.73  1   86.199  ? 8   F 1 c
ATOM 5531 H HD11 . ILE Fxp F 4   ? -3.494 30.192 36.707 1   85.573  ? 8   F 1 c
ATOM 5532 H HD12 . ILE Fxp F 4   ? -3.149 28.939 35.792 1   85.555  ? 8   F 1 c
ATOM 5533 H HD13 . ILE Fxp F 4   ? -2.964 28.845 37.37  1   85.516  ? 8   F 1 c
ATOM 5534 N N    . LYS Fxp F 5   ? -5.779 27.308 41.356 1   76.787  ? 9   F 1 .
ATOM 5535 C CA   . LYS Fxp F 5   ? -6.528 27.179 42.583 1   83.911  ? 9   F 1 .
ATOM 5536 C C    . LYS Fxp F 5   ? -6.684 28.553 43.233 1   86.702  ? 9   F 1 .
ATOM 5537 O O    . LYS Fxp F 5   ? -7.77  28.866 43.708 1   113.988 ? 9   F 1 .
ATOM 5538 C CB   . LYS Fxp F 5   ? -5.895 26.112 43.477 1   93.53   ? 9   F 1 .
ATOM 5539 C CG   . LYS Fxp F 5   ? -6.831 25.623 44.581 1   115.504 ? 9   F 1 .
ATOM 5540 C CD   . LYS Fxp F 5   ? -6.189 25.396 45.947 1   140.551 ? 9   F 1 .
ATOM 5541 C CE   . LYS Fxp F 5   ? -7.096 25.337 47.138 1   143.038 ? 9   F 1 .
ATOM 5542 N NZ   . LYS Fxp F 5   ? -6.312 25.442 48.378 1   134.09  ? 9   F 1 .
ATOM 5543 H H    . LYS Fxp F 5   ? -4.876 27.166 41.372 1   80.505  ? 9   F 1 c
ATOM 5544 H HA   . LYS Fxp F 5   ? -7.435 26.852 42.35  1   84.939  ? 9   F 1 c
ATOM 5545 H HB3  . LYS Fxp F 5   ? -5.088 26.48  43.886 1   95.944  ? 9   F 1 c
ATOM 5546 H HB2  . LYS Fxp F 5   ? -5.632 25.345 42.925 1   95.801  ? 9   F 1 c
ATOM 5547 H HG3  . LYS Fxp F 5   ? -7.239 24.78  44.284 1   115.021 ? 9   F 1 c
ATOM 5548 H HG2  . LYS Fxp F 5   ? -7.557 26.277 44.682 1   114.735 ? 9   F 1 c
ATOM 5549 H HD3  . LYS Fxp F 5   ? -5.547 26.12  46.095 1   132.674 ? 9   F 1 c
ATOM 5550 H HD2  . LYS Fxp F 5   ? -5.694 24.551 45.903 1   133.551 ? 9   F 1 c
ATOM 5551 H HE3  . LYS Fxp F 5   ? -7.587 24.495 47.139 1   140.318 ? 9   F 1 c
ATOM 5552 H HE2  . LYS Fxp F 5   ? -7.738 26.069 47.101 1   140.318 ? 9   F 1 c
ATOM 5553 H HZ1  . LYS Fxp F 5   ? -5.936 26.265 48.435 1   136.652 ? 9   F 1 c
ATOM 5554 H HZ2  . LYS Fxp F 5   ? -5.658 24.815 48.38  1   136.338 ? 9   F 1 c
ATOM 5555 H HZ3  . LYS Fxp F 5   ? -6.852 25.311 49.094 1   136.673 ? 9   F 1 c
ATOM 5556 N N    . ASN Fxp F 6   ? -5.63  29.378 43.262 1   80.876  ? 10  F 1 .
ATOM 5557 C CA   . ASN Fxp F 6   ? -5.786 30.758 43.729 1   84.643  ? 10  F 1 .
ATOM 5558 C C    . ASN Fxp F 6   ? -4.701 31.684 43.172 1   76.612  ? 10  F 1 .
ATOM 5559 O O    . ASN Fxp F 6   ? -3.537 31.326 43.259 1   78.617  ? 10  F 1 .
ATOM 5560 C CB   . ASN Fxp F 6   ? -5.761 30.866 45.251 1   82.326  ? 10  F 1 .
ATOM 5561 C CG   . ASN Fxp F 6   ? -6.238 32.23  45.685 1   75.666  ? 10  F 1 .
ATOM 5562 O OD1  . ASN Fxp F 6   ? -7.244 32.705 45.152 1   95.035  ? 10  F 1 .
ATOM 5563 N ND2  . ASN Fxp F 6   ? -5.525 32.9   46.579 1   67.108  ? 10  F 1 .
ATOM 5564 H H    . ASN Fxp F 6   ? -4.807 29.085 42.997 1   82.986  ? 10  F 1 c
ATOM 5565 H HA   . ASN Fxp F 6   ? -6.661 31.087 43.42  1   82.126  ? 10  F 1 c
ATOM 5566 H HB3  . ASN Fxp F 6   ? -4.85  30.719 45.575 1   81.14   ? 10  F 1 c
ATOM 5567 H HB2  . ASN Fxp F 6   ? -6.34  30.179 45.638 1   81.254  ? 10  F 1 c
ATOM 5568 H HD21 . ASN Fxp F 6   ? -5.476 33.784 46.532 1   69.634  ? 10  F 1 c
ATOM 5569 H HD22 . ASN Fxp F 6   ? -5.099 32.463 47.222 1   69.634  ? 10  F 1 c
ATOM 5570 N N    . ALA Fxp F 7   ? -5.072 32.874 42.645 1   75.119  ? 11  F 1 .
ATOM 5571 C CA   . ALA Fxp F 7   ? -4.13  33.741 41.931 1   73.073  ? 11  F 1 .
ATOM 5572 C C    . ALA Fxp F 7   ? -4.328 35.234 42.22  1   75.829  ? 11  F 1 .
ATOM 5573 O O    . ALA Fxp F 7   ? -5.452 35.711 42.399 1   90.002  ? 11  F 1 .
ATOM 5574 C CB   . ALA Fxp F 7   ? -4.209 33.499 40.441 1   75.767  ? 11  F 1 .
ATOM 5575 H H    . ALA Fxp F 7   ? -5.938 33.152 42.738 1   75.122  ? 11  F 1 c
ATOM 5576 H HA   . ALA Fxp F 7   ? -3.213 33.5   42.235 1   74.421  ? 11  F 1 c
ATOM 5577 H HB3  . ALA Fxp F 7   ? -3.554 34.053 39.984 1   74.963  ? 11  F 1 c
ATOM 5578 H HB2  . ALA Fxp F 7   ? -5.099 33.724 40.119 1   74.959  ? 11  F 1 c
ATOM 5579 H HB1  . ALA Fxp F 7   ? -4.026 32.564 40.251 1   74.959  ? 11  F 1 c
ATOM 5580 N N    . ASP Fxp F 8   ? -3.201 35.964 42.24  1   67.207  ? 12  F 1 .
ATOM 5581 C CA   . ASP Fxp F 8   ? -3.167 37.392 42.492 1   71.122  ? 12  F 1 .
ATOM 5582 C C    . ASP Fxp F 8   ? -2.009 37.924 41.677 1   80.236  ? 12  F 1 .
ATOM 5583 O O    . ASP Fxp F 8   ? -0.883 37.968 42.152 1   87.483  ? 12  F 1 .
ATOM 5584 C CB   . ASP Fxp F 8   ? -2.972 37.768 43.96  1   84.944  ? 12  F 1 .
ATOM 5585 C CG   . ASP Fxp F 8   ? -2.743 39.259 44.233 1   93.653  ? 12  F 1 .
ATOM 5586 O OD1  . ASP Fxp F 8   ? -2.499 39.968 43.256 1   109.723 ? 12  F 1 .
ATOM 5587 O OD2  . ASP Fxp F 8   ? -2.838 39.726 45.409 1   74.396  ? 12  F 1 .
ATOM 5588 H H    . ASP Fxp F 8   ? -2.408 35.537 42.087 1   70.185  ? 12  F 1 c
ATOM 5589 H HA   . ASP Fxp F 8   ? -4.005 37.793 42.165 1   74.59   ? 12  F 1 c
ATOM 5590 H HB3  . ASP Fxp F 8   ? -2.206 37.271 44.315 1   83.308  ? 12  F 1 c
ATOM 5591 H HB2  . ASP Fxp F 8   ? -3.767 37.488 44.46  1   83.385  ? 12  F 1 c
ATOM 5592 N N    . MET Fxp F 9   ? -2.324 38.385 40.475 1   96.137  ? 13  F 1 .
ATOM 5593 C CA   . MET Fxp F 9   ? -1.401 38.323 39.359 1   94.655  ? 13  F 1 .
ATOM 5594 C C    . MET Fxp F 9   ? -2.015 37.498 38.233 1   94.756  ? 13  F 1 .
ATOM 5595 O O    . MET Fxp F 9   ? -2.148 36.273 38.334 1   93.097  ? 13  F 1 .
ATOM 5596 C CB   . MET Fxp F 9   ? -0.016 37.751 39.723 1   89.766  ? 13  F 1 .
ATOM 5597 C CG   . MET Fxp F 9   ? 0.792  37.078 38.594 1   94.643  ? 13  F 1 .
ATOM 5598 S SD   . MET Fxp F 9   ? 1.083  35.281 38.641 1   76.219  ? 13  F 1 .
ATOM 5599 C CE   . MET Fxp F 9   ? 2.632  35.282 39.539 1   78.944  ? 13  F 1 .
ATOM 5600 H H    . MET Fxp F 9   ? -3.147 38.758 40.342 1   91.435  ? 13  F 1 c
ATOM 5601 H HA   . MET Fxp F 9   ? -1.288 39.252 39.046 1   93.866  ? 13  F 1 c
ATOM 5602 H HB3  . MET Fxp F 9   ? -0.136 37.089 40.434 1   91.792  ? 13  F 1 c
ATOM 5603 H HB2  . MET Fxp F 9   ? 0.524  38.477 40.089 1   91.706  ? 13  F 1 c
ATOM 5604 H HG3  . MET Fxp F 9   ? 1.667  37.512 38.555 1   89.573  ? 13  F 1 c
ATOM 5605 H HG2  . MET Fxp F 9   ? 0.353  37.265 37.752 1   89.58   ? 13  F 1 c
ATOM 5606 H HE3  . MET Fxp F 9   ? 2.501  35.699 40.411 1   78.252  ? 13  F 1 c
ATOM 5607 H HE2  . MET Fxp F 9   ? 3.299  35.785 39.035 1   78.252  ? 13  F 1 c
ATOM 5608 H HE1  . MET Fxp F 9   ? 2.938  34.365 39.659 1   78.252  ? 13  F 1 c
ATOM 5609 N N    . SER Fxp F 10  ? -2.647 38.271 37.348 1   89.703  ? 14  F 1 .
ATOM 5610 C CA   . SER Fxp F 10  ? -1.906 39.072 36.393 1   77.093  ? 14  F 1 .
ATOM 5611 C C    . SER Fxp F 10  ? -1.818 38.49  34.991 1   72.464  ? 14  F 1 .
ATOM 5612 O O    . SER Fxp F 10  ? -0.77  38.638 34.38  1   75.318  ? 14  F 1 .
ATOM 5613 C CB   . SER Fxp F 10  ? -0.545 39.291 36.931 1   88.261  ? 14  F 1 .
ATOM 5614 O OG   . SER Fxp F 10  ? -0.066 40.59  36.7   1   112.041 ? 14  F 1 .
ATOM 5615 H H    . SER Fxp F 10  ? -3.561 38.299 37.34  1   87.827  ? 14  F 1 c
ATOM 5616 H HA   . SER Fxp F 10  ? -2.355 39.953 36.327 1   80.687  ? 14  F 1 c
ATOM 5617 H HB3  . SER Fxp F 10  ? 0.063  38.654 36.524 1   90.145  ? 14  F 1 c
ATOM 5618 H HB2  . SER Fxp F 10  ? -0.542 39.139 37.875 1   90.528  ? 14  F 1 c
ATOM 5619 H HG   . SER Fxp F 10  ? 0.489  40.632 37.202 0   141.02  ? 14  F 1 c
ATOM 5620 N N    . GLU Fxp F 11  ? -2.932 37.958 34.474 1   85.427  ? 15  F 1 .
ATOM 5621 C CA   . GLU Fxp F 11  ? -2.991 37.166 33.249 1   100.131 ? 15  F 1 .
ATOM 5622 C C    . GLU Fxp F 11  ? -1.604 36.784 32.759 1   108.87  ? 15  F 1 .
ATOM 5623 O O    . GLU Fxp F 11  ? -1.122 35.724 33.123 1   120.886 ? 15  F 1 .
ATOM 5624 C CB   . GLU Fxp F 11  ? -3.735 37.741 32.041 1   101.982 ? 15  F 1 .
ATOM 5625 C CG   . GLU Fxp F 11  ? -5.052 37.022 31.774 1   106.862 ? 15  F 1 .
ATOM 5626 C CD   . GLU Fxp F 11  ? -5.034 35.571 32.232 1   110.749 ? 15  F 1 .
ATOM 5627 O OE1  . GLU Fxp F 11  ? -4.071 34.843 31.881 1   112.902 ? 15  F 1 .
ATOM 5628 O OE2  . GLU Fxp F 11  ? -5.972 35.18  32.967 1   95.255  ? 15  F 1 .
ATOM 5629 H H    . GLU Fxp F 11  ? -3.717 38.105 34.919 1   85.125  ? 15  F 1 c
ATOM 5630 H HA   . GLU Fxp F 11  ? -3.445 36.326 33.491 1   99.291  ? 15  F 1 c
ATOM 5631 H HB3  . GLU Fxp F 11  ? -3.176 37.661 31.241 1   102.825 ? 15  F 1 c
ATOM 5632 H HB2  . GLU Fxp F 11  ? -3.906 38.693 32.195 1   102.676 ? 15  F 1 c
ATOM 5633 H HG3  . GLU Fxp F 11  ? -5.244 37.046 30.812 1   106.588 ? 15  F 1 c
ATOM 5634 H HG2  . GLU Fxp F 11  ? -5.777 37.491 32.239 1   106.527 ? 15  F 1 c
ATOM 5635 N N    . GLU Fxp F 12  ? -0.952 37.664 31.988 1   113.288 ? 16  F 1 .
ATOM 5636 C CA   . GLU Fxp F 12  ? 0.308  37.321 31.341 1   107.7   ? 16  F 1 .
ATOM 5637 C C    . GLU Fxp F 12  ? 1.3    36.652 32.299 1   98.96   ? 16  F 1 .
ATOM 5638 O O    . GLU Fxp F 12  ? 1.741  35.547 31.991 1   85.828  ? 16  F 1 .
ATOM 5639 C CB   . GLU Fxp F 12  ? 0.928  38.517 30.63  1   102.539 ? 16  F 1 .
ATOM 5640 C CG   . GLU Fxp F 12  ? 0.511  38.569 29.166 1   107.345 ? 16  F 1 .
ATOM 5641 C CD   . GLU Fxp F 12  ? 1.138  39.735 28.439 1   123.63  ? 16  F 1 .
ATOM 5642 O OE1  . GLU Fxp F 12  ? 2.072  40.316 29.03  1   133.616 ? 16  F 1 .
ATOM 5643 O OE2  . GLU Fxp F 12  ? 0.685  40.083 27.324 1   146.184 ? 16  F 1 .
ATOM 5644 H H    . GLU Fxp F 12  ? -1.287 38.507 31.881 1   110.633 ? 16  F 1 c
ATOM 5645 H HA   . GLU Fxp F 12  ? 0.097  36.657 30.636 1   105.996 ? 16  F 1 c
ATOM 5646 H HB3  . GLU Fxp F 12  ? 1.904  38.454 30.691 1   104.933 ? 16  F 1 c
ATOM 5647 H HB2  . GLU Fxp F 12  ? 0.651  39.341 31.083 1   105.015 ? 16  F 1 c
ATOM 5648 H HG3  . GLU Fxp F 12  ? -0.466 38.646 29.108 1   109.747 ? 16  F 1 c
ATOM 5649 H HG2  . GLU Fxp F 12  ? 0.779  37.737 28.72  1   109.728 ? 16  F 1 c
ATOM 5650 N N    . MET Fxp F 13  ? 1.662  37.316 33.416 1   85.687  ? 17  F 1 .
ATOM 5651 C CA   . MET Fxp F 13  ? 2.487  36.716 34.462 1   77.022  ? 17  F 1 .
ATOM 5652 C C    . MET Fxp F 13  ? 1.979  35.326 34.839 1   77.804  ? 17  F 1 .
ATOM 5653 O O    . MET Fxp F 13  ? 2.731  34.362 34.772 1   86.039  ? 17  F 1 .
ATOM 5654 C CB   . MET Fxp F 13  ? 2.537  37.555 35.743 1   76.076  ? 17  F 1 .
ATOM 5655 C CG   . MET Fxp F 13  ? 3.583  38.653 35.745 1   86.158  ? 17  F 1 .
ATOM 5656 S SD   . MET Fxp F 13  ? 4.17   38.985 37.418 1   107.918 ? 17  F 1 .
ATOM 5657 C CE   . MET Fxp F 13  ? 4.969  40.584 37.184 1   107.719 ? 17  F 1 .
ATOM 5658 H H    . MET Fxp F 13  ? 1.381  38.179 33.525 1   86.57   ? 17  F 1 c
ATOM 5659 H HA   . MET Fxp F 13  ? 3.406  36.619 34.103 1   78.714  ? 17  F 1 c
ATOM 5660 H HB3  . MET Fxp F 13  ? 2.708  36.955 36.5   1   78.808  ? 17  F 1 c
ATOM 5661 H HB2  . MET Fxp F 13  ? 1.658  37.959 35.879 1   78.807  ? 17  F 1 c
ATOM 5662 H HG3  . MET Fxp F 13  ? 3.201  39.472 35.371 1   87.317  ? 17  F 1 c
ATOM 5663 H HG2  . MET Fxp F 13  ? 4.337  38.387 35.19  1   87.404  ? 17  F 1 c
ATOM 5664 H HE3  . MET Fxp F 13  ? 4.445  41.276 37.628 1   107.784 ? 17  F 1 c
ATOM 5665 H HE2  . MET Fxp F 13  ? 5.028  40.782 36.232 1   107.817 ? 17  F 1 c
ATOM 5666 H HE1  . MET Fxp F 13  ? 5.865  40.558 37.568 1   107.798 ? 17  F 1 c
ATOM 5667 N N    . GLN Fxp F 14  ? 0.692  35.229 35.18  1   86.144  ? 18  F 1 .
ATOM 5668 C CA   . GLN Fxp F 14  ? 0.049  33.958 35.481 1   89.389  ? 18  F 1 .
ATOM 5669 C C    . GLN Fxp F 14  ? 0.324  32.908 34.395 1   100.617 ? 18  F 1 .
ATOM 5670 O O    . GLN Fxp F 14  ? 0.872  31.846 34.677 1   90.446  ? 18  F 1 .
ATOM 5671 C CB   . GLN Fxp F 14  ? -1.449 34.202 35.661 1   86.435  ? 18  F 1 .
ATOM 5672 C CG   . GLN Fxp F 14  ? -2.153 33.067 36.385 1   89.153  ? 18  F 1 .
ATOM 5673 C CD   . GLN Fxp F 14  ? -3.64  33.274 36.469 1   90.748  ? 18  F 1 .
ATOM 5674 O OE1  . GLN Fxp F 14  ? -4.425 32.388 36.133 1   98.428  ? 18  F 1 .
ATOM 5675 N NE2  . GLN Fxp F 14  ? -4.033 34.463 36.903 1   94.151  ? 18  F 1 .
ATOM 5676 H H    . GLN Fxp F 14  ? 0.191  35.992 35.227 1   84.722  ? 18  F 1 c
ATOM 5677 H HA   . GLN Fxp F 14  ? 0.416  33.621 36.337 1   90.062  ? 18  F 1 c
ATOM 5678 H HB3  . GLN Fxp F 14  ? -1.861 34.318 34.781 1   88.2    ? 18  F 1 c
ATOM 5679 H HB2  . GLN Fxp F 14  ? -1.577 35.031 36.164 1   87.836  ? 18  F 1 c
ATOM 5680 H HG3  . GLN Fxp F 14  ? -1.791 32.988 37.294 1   88.913  ? 18  F 1 c
ATOM 5681 H HG2  . GLN Fxp F 14  ? -1.976 32.223 35.918 1   88.998  ? 18  F 1 c
ATOM 5682 H HE21 . GLN Fxp F 14  ? -4.709 34.878 36.507 1   93.084  ? 18  F 1 c
ATOM 5683 H HE22 . GLN Fxp F 14  ? -3.618 34.842 37.59  1   93.063  ? 18  F 1 c
ATOM 5684 N N    . GLN Fxp F 15  ? -0.016 33.22  33.136 1   111.121 ? 19  F 1 .
ATOM 5685 C CA   . GLN Fxp F 15  ? 0.118  32.267 32.044 1   108.272 ? 19  F 1 .
ATOM 5686 C C    . GLN Fxp F 15  ? 1.594  32.031 31.762 1   90.051  ? 19  F 1 .
ATOM 5687 O O    . GLN Fxp F 15  ? 1.96   31.036 31.17  1   97.581  ? 19  F 1 .
ATOM 5688 C CB   . GLN Fxp F 15  ? -0.611 32.738 30.782 1   105.366 ? 19  F 1 .
ATOM 5689 C CG   . GLN Fxp F 15  ? -1.124 31.611 29.882 1   109.004 ? 19  F 1 .
ATOM 5690 C CD   . GLN Fxp F 15  ? -1.863 30.476 30.586 1   114.429 ? 19  F 1 .
ATOM 5691 O OE1  . GLN Fxp F 15  ? -2.663 30.647 31.529 1   85.298  ? 19  F 1 .
ATOM 5692 N NE2  . GLN Fxp F 15  ? -1.584 29.268 30.111 1   105.624 ? 19  F 1 .
ATOM 5693 H H    . GLN Fxp F 15  ? -0.339 34.055 32.955 1   107.43  ? 19  F 1 c
ATOM 5694 H HA   . GLN Fxp F 15  ? -0.28  31.412 32.337 1   104.42  ? 19  F 1 c
ATOM 5695 H HB3  . GLN Fxp F 15  ? -0.003 33.304 30.263 1   106.74  ? 19  F 1 c
ATOM 5696 H HB2  . GLN Fxp F 15  ? -1.372 33.294 31.052 1   106.85  ? 19  F 1 c
ATOM 5697 H HG3  . GLN Fxp F 15  ? -0.363 31.224 29.398 1   109.356 ? 19  F 1 c
ATOM 5698 H HG2  . GLN Fxp F 15  ? -1.728 31.994 29.211 1   109.377 ? 19  F 1 c
ATOM 5699 H HE21 . GLN Fxp F 15  ? -1.419 28.599 30.67  1   108.259 ? 19  F 1 c
ATOM 5700 H HE22 . GLN Fxp F 15  ? -1.564 29.131 29.235 1   108.259 ? 19  F 1 c
ATOM 5701 N N    . ASP Fxp F 16  ? 2.444  32.957 32.18  1   97.324  ? 20  F 1 .
ATOM 5702 C CA   . ASP Fxp F 16  ? 3.879  32.795 32.02  1   101.426 ? 20  F 1 .
ATOM 5703 C C    . ASP Fxp F 16  ? 4.423  31.842 33.085 1   91.113  ? 20  F 1 .
ATOM 5704 O O    . ASP Fxp F 16  ? 5.299  31.026 32.812 1   103.056 ? 20  F 1 .
ATOM 5705 C CB   . ASP Fxp F 16  ? 4.585  34.139 32.056 1   97.318  ? 20  F 1 .
ATOM 5706 C CG   . ASP Fxp F 16  ? 5.807  34.205 31.165 1   104.293 ? 20  F 1 .
ATOM 5707 O OD1  . ASP Fxp F 16  ? 5.633  34.197 29.926 1   115.904 ? 20  F 1 .
ATOM 5708 O OD2  . ASP Fxp F 16  ? 6.907  34.221 31.719 1   109.863 ? 20  F 1 .
ATOM 5709 H H    . ASP Fxp F 16  ? 2.129  33.727 32.555 1   96.56   ? 20  F 1 c
ATOM 5710 H HA   . ASP Fxp F 16  ? 4.047  32.398 31.135 1   97.975  ? 20  F 1 c
ATOM 5711 H HB3  . ASP Fxp F 16  ? 4.856  34.34  32.977 1   99.795  ? 20  F 1 c
ATOM 5712 H HB2  . ASP Fxp F 16  ? 3.968  34.839 31.762 1   99.688  ? 20  F 1 c
ATOM 5713 N N    . ALA Fxp F 17  ? 3.905  31.963 34.307 1   72.342  ? 21  F 1 .
ATOM 5714 C CA   . ALA Fxp F 17  ? 4.236  31.045 35.376 1   70.193  ? 21  F 1 .
ATOM 5715 C C    . ALA Fxp F 17  ? 3.783  29.651 34.995 1   76.116  ? 21  F 1 .
ATOM 5716 O O    . ALA Fxp F 17  ? 4.478  28.679 35.259 1   75.083  ? 21  F 1 .
ATOM 5717 C CB   . ALA Fxp F 17  ? 3.557  31.458 36.655 1   82.167  ? 21  F 1 .
ATOM 5718 H H    . ALA Fxp F 17  ? 3.327  32.649 34.48  1   76.257  ? 21  F 1 c
ATOM 5719 H HA   . ALA Fxp F 17  ? 5.224  31.039 35.502 1   73.853  ? 21  F 1 c
ATOM 5720 H HB3  . ALA Fxp F 17  ? 4.054  31.111 37.415 1   78.367  ? 21  F 1 c
ATOM 5721 H HB2  . ALA Fxp F 17  ? 2.652  31.104 36.675 1   78.358  ? 21  F 1 c
ATOM 5722 H HB1  . ALA Fxp F 17  ? 3.522  32.427 36.711 1   78.278  ? 21  F 1 c
ATOM 5723 N N    . VAL Fxp F 18  ? 2.604  29.573 34.381 1   87.548  ? 22  F 1 .
ATOM 5724 C CA   . VAL Fxp F 18  ? 2.026  28.29  34.027 1   93.15   ? 22  F 1 .
ATOM 5725 C C    . VAL Fxp F 18  ? 2.931  27.616 33.007 1   86.411  ? 22  F 1 .
ATOM 5726 O O    . VAL Fxp F 18  ? 3.374  26.5   33.237 1   71.592  ? 22  F 1 .
ATOM 5727 C CB   . VAL Fxp F 18  ? 0.598  28.38  33.468 1   91.45   ? 22  F 1 .
ATOM 5728 C CG1  . VAL Fxp F 18  ? 0.082  26.977 33.172 1   81.415  ? 22  F 1 .
ATOM 5729 C CG2  . VAL Fxp F 18  ? -0.345 29.162 34.387 1   95.539  ? 22  F 1 .
ATOM 5730 H H    . VAL Fxp F 18  ? 2.144  30.336 34.179 1   85.75   ? 22  F 1 c
ATOM 5731 H HA   . VAL Fxp F 18  ? 2.005  27.736 34.831 1   90.129  ? 22  F 1 c
ATOM 5732 H HB   . VAL Fxp F 18  ? 0.651  28.866 32.612 1   90.556  ? 22  F 1 c
ATOM 5733 H HG11 . VAL Fxp F 18  ? 0.363  26.37  33.878 1   84.375  ? 22  F 1 c
ATOM 5734 H HG12 . VAL Fxp F 18  ? 0.441  26.671 32.322 1   84.315  ? 22  F 1 c
ATOM 5735 H HG13 . VAL Fxp F 18  ? -0.888 26.989 33.125 1   84.408  ? 22  F 1 c
ATOM 5736 H HG21 . VAL Fxp F 18  ? -1.081 28.59  34.662 1   94.089  ? 22  F 1 c
ATOM 5737 H HG22 . VAL Fxp F 18  ? -0.698 29.932 33.912 1   94.304  ? 22  F 1 c
ATOM 5738 H HG23 . VAL Fxp F 18  ? 0.139  29.462 35.174 1   94.21   ? 22  F 1 c
ATOM 5739 N N    . ASP Fxp F 19  ? 3.205  28.331 31.907 1   102.452 ? 23  F 1 .
ATOM 5740 C CA   . ASP Fxp F 19  ? 3.877  27.777 30.741 1   103.366 ? 23  F 1 .
ATOM 5741 C C    . ASP Fxp F 19  ? 5.28   27.347 31.133 1   93.865  ? 23  F 1 .
ATOM 5742 O O    . ASP Fxp F 19  ? 5.778  26.325 30.657 1   105.441 ? 23  F 1 .
ATOM 5743 C CB   . ASP Fxp F 19  ? 3.844  28.747 29.568 1   104.376 ? 23  F 1 .
ATOM 5744 C CG   . ASP Fxp F 19  ? 2.57   28.68  28.732 1   126.885 ? 23  F 1 .
ATOM 5745 O OD1  . ASP Fxp F 19  ? 1.459  28.858 29.293 1   123.912 ? 23  F 1 .
ATOM 5746 O OD2  . ASP Fxp F 19  ? 2.686  28.418 27.522 1   165.217 ? 23  F 1 .
ATOM 5747 H H    . ASP Fxp F 19  ? 2.954  29.209 31.884 1   98.575  ? 23  F 1 c
ATOM 5748 H HA   . ASP Fxp F 19  ? 3.381  26.974 30.461 1   101.674 ? 23  F 1 c
ATOM 5749 H HB3  . ASP Fxp F 19  ? 4.605  28.558 28.98  1   109.106 ? 23  F 1 c
ATOM 5750 H HB2  . ASP Fxp F 19  ? 3.945  29.662 29.903 1   108.877 ? 23  F 1 c
ATOM 5751 N N    . CYS Fxp F 20  ? 5.886  28.152 32.008 1   88.737  ? 24  F 1 .
ATOM 5752 C CA   . CYS Fxp F 20  ? 7.171  27.832 32.606 1   89.662  ? 24  F 1 .
ATOM 5753 C C    . CYS Fxp F 20  ? 7.098  26.466 33.291 1   77.252  ? 24  F 1 .
ATOM 5754 O O    . CYS Fxp F 20  ? 7.694  25.495 32.83  1   72.03   ? 24  F 1 .
ATOM 5755 C CB   . CYS Fxp F 20  ? 7.627  28.962 33.531 1   84.471  ? 24  F 1 .
ATOM 5756 S SG   . CYS Fxp F 20  ? 8.872  28.433 34.737 1   74.096  ? 24  F 1 .
ATOM 5757 H H    . CYS Fxp F 20  ? 5.487  28.943 32.232 1   90.22   ? 24  F 1 c
ATOM 5758 H HA   . CYS Fxp F 20  ? 7.833  27.769 31.871 1   86.119  ? 24  F 1 c
ATOM 5759 H HB3  . CYS Fxp F 20  ? 6.85   29.314 34.02  1   83.716  ? 24  F 1 c
ATOM 5760 H HB2  . CYS Fxp F 20  ? 8.003  29.692 32.991 1   83.602  ? 24  F 1 c
ATOM 5761 H HG   . CYS Fxp F 20  ? 8.887  29.477 35.21  0   70.15   ? 24  F 1 c
ATOM 5762 N N    . ALA Fxp F 21  ? 6.332  26.403 34.38  1   80.482  ? 25  F 1 .
ATOM 5763 C CA   . ALA Fxp F 21  ? 6.332  25.25  35.263 1   90.21   ? 25  F 1 .
ATOM 5764 C C    . ALA Fxp F 21  ? 6.286  23.961 34.455 1   85.239  ? 25  F 1 .
ATOM 5765 O O    . ALA Fxp F 21  ? 6.85   22.968 34.884 1   74.925  ? 25  F 1 .
ATOM 5766 C CB   . ALA Fxp F 21  ? 5.169  25.318 36.236 1   95.517  ? 25  F 1 .
ATOM 5767 H H    . ALA Fxp F 21  ? 5.784  27.107 34.579 1   81.935  ? 25  F 1 c
ATOM 5768 H HA   . ALA Fxp F 21  ? 7.185  25.258 35.779 1   88.225  ? 25  F 1 c
ATOM 5769 H HB3  . ALA Fxp F 21  ? 5.197  24.551 36.833 1   93.917  ? 25  F 1 c
ATOM 5770 H HB2  . ALA Fxp F 21  ? 4.331  25.311 35.745 1   93.917  ? 25  F 1 c
ATOM 5771 H HB1  . ALA Fxp F 21  ? 5.228  26.134 36.76  1   93.917  ? 25  F 1 c
ATOM 5772 N N    . THR Fxp F 22  ? 5.625  23.992 33.289 1   88.928  ? 26  F 1 .
ATOM 5773 C CA   . THR Fxp F 22  ? 5.403  22.783 32.518 1   93.732  ? 26  F 1 .
ATOM 5774 C C    . THR Fxp F 22  ? 6.725  22.3   31.928 1   85.964  ? 26  F 1 .
ATOM 5775 O O    . THR Fxp F 22  ? 7.041  21.102 32.018 1   71.397  ? 26  F 1 .
ATOM 5776 C CB   . THR Fxp F 22  ? 4.364  22.987 31.419 1   98.282  ? 26  F 1 .
ATOM 5777 O OG1  . THR Fxp F 22  ? 3.44   23.995 31.813 1   96.997  ? 26  F 1 .
ATOM 5778 C CG2  . THR Fxp F 22  ? 3.617  21.694 31.143 1   103.297 ? 26  F 1 .
ATOM 5779 H H    . THR Fxp F 22  ? 5.281  24.78  32.98  1   88.998  ? 26  F 1 c
ATOM 5780 H HA   . THR Fxp F 22  ? 5.068  22.091 33.13  1   92.041  ? 26  F 1 c
ATOM 5781 H HB   . THR Fxp F 22  ? 4.817  23.273 30.589 1   97.893  ? 26  F 1 c
ATOM 5782 H HG1  . THR Fxp F 22  ? 2.946  23.669 32.444 0   89.51   ? 26  F 1 c
ATOM 5783 H HG21 . THR Fxp F 22  ? 3.024  21.817 30.383 1   101.79  ? 26  F 1 c
ATOM 5784 H HG22 . THR Fxp F 22  ? 3.094  21.449 31.925 1   101.793 ? 26  F 1 c
ATOM 5785 H HG23 . THR Fxp F 22  ? 4.254  20.986 30.946 1   101.79  ? 26  F 1 c
ATOM 5786 N N    . GLN Fxp F 23  ? 7.465  23.247 31.326 1   75.695  ? 27  F 1 .
ATOM 5787 C CA   . GLN Fxp F 23  ? 8.851  23.011 30.941 1   79.825  ? 27  F 1 .
ATOM 5788 C C    . GLN Fxp F 23  ? 9.6    22.368 32.104 1   78.799  ? 27  F 1 .
ATOM 5789 O O    . GLN Fxp F 23  ? 10.08  21.242 32.004 1   73.494  ? 27  F 1 .
ATOM 5790 C CB   . GLN Fxp F 23  ? 9.552  24.301 30.529 1   80.485  ? 27  F 1 .
ATOM 5791 C CG   . GLN Fxp F 23  ? 9.011  24.881 29.23  1   93.293  ? 27  F 1 .
ATOM 5792 C CD   . GLN Fxp F 23  ? 9.593  26.238 28.919 1   104.091 ? 27  F 1 .
ATOM 5793 O OE1  . GLN Fxp F 23  ? 9.833  27.036 29.83  1   105.015 ? 27  F 1 .
ATOM 5794 N NE2  . GLN Fxp F 23  ? 9.849  26.506 27.645 1   112.419 ? 27  F 1 .
ATOM 5795 H H    . GLN Fxp F 23  ? 7.092  24.062 31.15  1   79.297  ? 27  F 1 c
ATOM 5796 H HA   . GLN Fxp F 23  ? 8.858  22.383 30.174 1   78.934  ? 27  F 1 c
ATOM 5797 H HB3  . GLN Fxp F 23  ? 10.509 24.121 30.423 1   83.07   ? 27  F 1 c
ATOM 5798 H HB2  . GLN Fxp F 23  ? 9.45   24.962 31.242 1   83.111  ? 27  F 1 c
ATOM 5799 H HG3  . GLN Fxp F 23  ? 8.036  24.961 29.289 1   92.354  ? 27  F 1 c
ATOM 5800 H HG2  . GLN Fxp F 23  ? 9.217  24.27  28.491 1   92.594  ? 27  F 1 c
ATOM 5801 H HE21 . GLN Fxp F 23  ? 10.561 26.988 27.428 1   109.759 ? 27  F 1 c
ATOM 5802 H HE22 . GLN Fxp F 23  ? 9.307  26.202 27.012 1   109.666 ? 27  F 1 c
ATOM 5803 N N    . ALA Fxp F 24  ? 9.634  23.082 33.23  1   82.965  ? 28  F 1 .
ATOM 5804 C CA   . ALA Fxp F 24  ? 10.228 22.569 34.452 1   81.767  ? 28  F 1 .
ATOM 5805 C C    . ALA Fxp F 24  ? 9.867  21.103 34.667 1   75.611  ? 28  F 1 .
ATOM 5806 O O    . ALA Fxp F 24  ? 10.727 20.326 35.066 1   63.454  ? 28  F 1 .
ATOM 5807 C CB   . ALA Fxp F 24  ? 9.758  23.384 35.632 1   90.87   ? 28  F 1 .
ATOM 5808 H H    . ALA Fxp F 24  ? 9.268  23.92  33.239 1   81.751  ? 28  F 1 c
ATOM 5809 H HA   . ALA Fxp F 24  ? 11.219 22.641 34.375 1   82.285  ? 28  F 1 c
ATOM 5810 H HB3  . ALA Fxp F 24  ? 10.42  23.341 36.342 1   87.906  ? 28  F 1 c
ATOM 5811 H HB2  . ALA Fxp F 24  ? 8.915  23.032 35.96  1   87.509  ? 28  F 1 c
ATOM 5812 H HB1  . ALA Fxp F 24  ? 9.636  24.31  35.365 1   87.802  ? 28  F 1 c
ATOM 5813 N N    . LEU Fxp F 25  ? 8.595  20.753 34.402 1   76.274  ? 29  F 1 .
ATOM 5814 C CA   . LEU Fxp F 25  ? 7.993  19.538 34.922 1   77.791  ? 29  F 1 .
ATOM 5815 C C    . LEU Fxp F 25  ? 8.229  18.388 33.96  1   88.345  ? 29  F 1 .
ATOM 5816 O O    . LEU Fxp F 25  ? 7.705  17.293 34.183 1   93.937  ? 29  F 1 .
ATOM 5817 C CB   . LEU Fxp F 25  ? 6.502  19.755 35.185 1   79.638  ? 29  F 1 .
ATOM 5818 C CG   . LEU Fxp F 25  ? 5.886  18.947 36.336 1   88.055  ? 29  F 1 .
ATOM 5819 C CD1  . LEU Fxp F 25  ? 6.753  18.893 37.6   1   83.449  ? 29  F 1 .
ATOM 5820 C CD2  . LEU Fxp F 25  ? 4.513  19.515 36.674 1   88.771  ? 29  F 1 .
ATOM 5821 H H    . LEU Fxp F 25  ? 8.078  21.307 33.893 1   76.658  ? 29  F 1 c
ATOM 5822 H HA   . LEU Fxp F 25  ? 8.442  19.318 35.775 1   79.642  ? 29  F 1 c
ATOM 5823 H HB3  . LEU Fxp F 25  ? 6.009  19.543 34.359 1   81.067  ? 29  F 1 c
ATOM 5824 H HB2  . LEU Fxp F 25  ? 6.359  20.711 35.372 1   80.989  ? 29  F 1 c
ATOM 5825 H HG   . LEU Fxp F 25  ? 5.757  18.016 36.019 1   85.711  ? 29  F 1 c
ATOM 5826 H HD11 . LEU Fxp F 25  ? 7.365  18.141 37.541 1   84.441  ? 29  F 1 c
ATOM 5827 H HD12 . LEU Fxp F 25  ? 6.185  18.785 38.381 1   84.634  ? 29  F 1 c
ATOM 5828 H HD13 . LEU Fxp F 25  ? 7.257  19.714 37.679 1   84.151  ? 29  F 1 c
ATOM 5829 H HD21 . LEU Fxp F 25  ? 3.988  19.605 35.861 1   88.553  ? 29  F 1 c
ATOM 5830 H HD22 . LEU Fxp F 25  ? 4.615  20.388 37.09  1   88.553  ? 29  F 1 c
ATOM 5831 H HD23 . LEU Fxp F 25  ? 4.056  18.917 37.289 1   88.532  ? 29  F 1 c
ATOM 5832 N N    . GLU Fxp F 26  ? 9.05   18.638 32.93  1   98.537  ? 30  F 1 .
ATOM 5833 C CA   . GLU Fxp F 26  ? 9.364  17.618 31.943 1   99.335  ? 30  F 1 .
ATOM 5834 C C    . GLU Fxp F 26  ? 10.866 17.455 31.802 1   85.166  ? 30  F 1 .
ATOM 5835 O O    . GLU Fxp F 26  ? 11.293 16.341 31.552 1   97.745  ? 30  F 1 .
ATOM 5836 C CB   . GLU Fxp F 26  ? 8.712  17.918 30.6   1   107.55  ? 30  F 1 .
ATOM 5837 C CG   . GLU Fxp F 26  ? 9.074  19.295 30.067 1   118.104 ? 30  F 1 .
ATOM 5838 C CD   . GLU Fxp F 26  ? 10.165 19.277 29.028 1   124.244 ? 30  F 1 .
ATOM 5839 O OE1  . GLU Fxp F 26  ? 9.797  18.879 27.898 1   114.312 ? 30  F 1 .
ATOM 5840 O OE2  . GLU Fxp F 26  ? 11.322 19.658 29.338 1   126.672 ? 30  F 1 .
ATOM 5841 H H    . GLU Fxp F 26  ? 9.413  19.47  32.835 1   95.703  ? 30  F 1 c
ATOM 5842 H HA   . GLU Fxp F 26  ? 8.996  16.756 32.264 1   97.737  ? 30  F 1 c
ATOM 5843 H HB3  . GLU Fxp F 26  ? 7.739  17.859 30.7   1   107.884 ? 30  F 1 c
ATOM 5844 H HB2  . GLU Fxp F 26  ? 8.988  17.234 29.954 1   107.839 ? 30  F 1 c
ATOM 5845 H HG3  . GLU Fxp F 26  ? 9.359  19.862 30.804 1   115.646 ? 30  F 1 c
ATOM 5846 H HG2  . GLU Fxp F 26  ? 8.275  19.705 29.672 1   116.722 ? 30  F 1 c
ATOM 5847 N N    . LYS Fxp F 27  ? 11.637 18.538 31.968 1   79.075  ? 31  F 1 .
ATOM 5848 C CA   . LYS Fxp F 27  ? 13.087 18.435 32.066 1   84.575  ? 31  F 1 .
ATOM 5849 C C    . LYS Fxp F 27  ? 13.512 17.755 33.366 1   73.539  ? 31  F 1 .
ATOM 5850 O O    . LYS Fxp F 27  ? 14.316 16.815 33.349 1   70.577  ? 31  F 1 .
ATOM 5851 C CB   . LYS Fxp F 27  ? 13.769 19.803 31.97  1   95.363  ? 31  F 1 .
ATOM 5852 C CG   . LYS Fxp F 27  ? 15.309 19.814 32.084 1   101.74  ? 31  F 1 .
ATOM 5853 C CD   . LYS Fxp F 27  ? 15.883 21.061 31.406 1   107.726 ? 31  F 1 .
ATOM 5854 C CE   . LYS Fxp F 27  ? 17.171 20.934 30.661 1   105.02  ? 31  F 1 .
ATOM 5855 N NZ   . LYS Fxp F 27  ? 18.258 21.57  31.408 1   114.843 ? 31  F 1 .
ATOM 5856 H H    . LYS Fxp F 27  ? 11.254 19.366 32.004 1   82.369  ? 31  F 1 c
ATOM 5857 H HA   . LYS Fxp F 27  ? 13.407 17.882 31.308 1   83.251  ? 31  F 1 c
ATOM 5858 H HB3  . LYS Fxp F 27  ? 13.406 20.377 32.678 1   94.178  ? 31  F 1 c
ATOM 5859 H HB2  . LYS Fxp F 27  ? 13.52  20.206 31.111 1   94.302  ? 31  F 1 c
ATOM 5860 H HG3  . LYS Fxp F 27  ? 15.67  19.008 31.655 1   101.591 ? 31  F 1 c
ATOM 5861 H HG2  . LYS Fxp F 27  ? 15.563 19.808 33.032 1   101.44  ? 31  F 1 c
ATOM 5862 H HD3  . LYS Fxp F 27  ? 15.994 21.748 32.099 1   105.806 ? 31  F 1 c
ATOM 5863 H HD2  . LYS Fxp F 27  ? 15.206 21.407 30.785 1   105.568 ? 31  F 1 c
ATOM 5864 H HE3  . LYS Fxp F 27  ? 17.091 21.36  29.79  1   107.88  ? 31  F 1 c
ATOM 5865 H HE2  . LYS Fxp F 27  ? 17.387 19.995 30.524 1   107.843 ? 31  F 1 c
ATOM 5866 H HZ1  . LYS Fxp F 27  ? 18.292 21.234 32.249 1   111.651 ? 31  F 1 c
ATOM 5867 H HZ2  . LYS Fxp F 27  ? 18.12  22.465 31.45  1   111.668 ? 31  F 1 c
ATOM 5868 H HZ3  . LYS Fxp F 27  ? 19.047 21.411 30.993 1   111.7   ? 31  F 1 c
ATOM 5869 N N    . TYR Fxp F 28  ? 12.994 18.275 34.485 1   71.67   ? 32  F 1 .
ATOM 5870 C CA   . TYR Fxp F 28  ? 13.392 17.817 35.81  1   74.8    ? 32  F 1 .
ATOM 5871 C C    . TYR Fxp F 28  ? 12.337 16.866 36.366 1   72.708  ? 32  F 1 .
ATOM 5872 O O    . TYR Fxp F 28  ? 11.149 16.991 36.098 1   70.493  ? 32  F 1 .
ATOM 5873 C CB   . TYR Fxp F 28  ? 13.636 18.977 36.778 1   70.338  ? 32  F 1 .
ATOM 5874 C CG   . TYR Fxp F 28  ? 14.796 19.876 36.39  1   65.986  ? 32  F 1 .
ATOM 5875 C CD1  . TYR Fxp F 28  ? 16.084 19.554 36.758 1   63.478  ? 32  F 1 .
ATOM 5876 C CD2  . TYR Fxp F 28  ? 14.598 21.029 35.64  1   77.671  ? 32  F 1 .
ATOM 5877 C CE1  . TYR Fxp F 28  ? 17.147 20.355 36.384 1   82.123  ? 32  F 1 .
ATOM 5878 C CE2  . TYR Fxp F 28  ? 15.651 21.829 35.243 1   88.759  ? 32  F 1 .
ATOM 5879 C CZ   . TYR Fxp F 28  ? 16.931 21.499 35.634 1   96.371  ? 32  F 1 .
ATOM 5880 O OH   . TYR Fxp F 28  ? 17.959 22.308 35.248 1   125.819 ? 32  F 1 .
ATOM 5881 H H    . TYR Fxp F 28  ? 12.373 18.943 34.421 1   72.923  ? 32  F 1 c
ATOM 5882 H HA   . TYR Fxp F 28  ? 14.244 17.314 35.719 1   73.012  ? 32  F 1 c
ATOM 5883 H HB3  . TYR Fxp F 28  ? 13.807 18.605 37.671 1   70.32   ? 32  F 1 c
ATOM 5884 H HB2  . TYR Fxp F 28  ? 12.817 19.518 36.829 1   70.298  ? 32  F 1 c
ATOM 5885 H HD1  . TYR Fxp F 28  ? 16.244 18.775 37.267 1   68.461  ? 32  F 1 c
ATOM 5886 H HD2  . TYR Fxp F 28  ? 13.723 21.254 35.366 1   77.282  ? 32  F 1 c
ATOM 5887 H HE1  . TYR Fxp F 28  ? 18.022 20.126 36.645 1   80.34   ? 32  F 1 c
ATOM 5888 H HE2  . TYR Fxp F 28  ? 15.494 22.61  34.74  1   87.527  ? 32  F 1 c
ATOM 5889 H HH   . TYR Fxp F 28  ? 18.901 21.634 35.811 0   127.56  ? 32  F 1 c
ATOM 5890 N N    . ASN Fxp F 29  ? 12.796 15.889 37.139 1   77.415  ? 33  F 1 .
ATOM 5891 C CA   . ASN Fxp F 29  ? 11.915 14.832 37.601 1   82.996  ? 33  F 1 .
ATOM 5892 C C    . ASN Fxp F 29  ? 11.679 15.001 39.091 1   80.612  ? 33  F 1 .
ATOM 5893 O O    . ASN Fxp F 29  ? 10.678 14.505 39.599 1   70.707  ? 33  F 1 .
ATOM 5894 C CB   . ASN Fxp F 29  ? 12.478 13.449 37.293 1   87.215  ? 33  F 1 .
ATOM 5895 C CG   . ASN Fxp F 29  ? 11.417 12.379 37.379 1   96.918  ? 33  F 1 .
ATOM 5896 O OD1  . ASN Fxp F 29  ? 10.522 12.291 36.522 1   83.666  ? 33  F 1 .
ATOM 5897 N ND2  . ASN Fxp F 29  ? 11.505 11.561 38.417 1   113.689 ? 33  F 1 .
ATOM 5898 H H    . ASN Fxp F 29  ? 13.683 15.858 37.358 1   77.596  ? 33  F 1 c
ATOM 5899 H HA   . ASN Fxp F 29  ? 11.052 14.913 37.134 1   82.125  ? 33  F 1 c
ATOM 5900 H HB3  . ASN Fxp F 29  ? 13.192 13.246 37.926 1   88.565  ? 33  F 1 c
ATOM 5901 H HB2  . ASN Fxp F 29  ? 12.861 13.45  36.393 1   88.399  ? 33  F 1 c
ATOM 5902 H HD21 . ASN Fxp F 29  ? 11.37  10.691 38.307 1   108.194 ? 33  F 1 c
ATOM 5903 H HD22 . ASN Fxp F 29  ? 11.698 11.884 39.22  1   108.062 ? 33  F 1 c
ATOM 5904 N N    . ILE Fxp F 30  ? 12.629 15.685 39.751 1   92.041  ? 34  F 1 .
ATOM 5905 C CA   . ILE Fxp F 30  ? 12.667 15.831 41.197 1   86.4    ? 34  F 1 .
ATOM 5906 C C    . ILE Fxp F 30  ? 11.988 17.137 41.601 1   86.038  ? 34  F 1 .
ATOM 5907 O O    . ILE Fxp F 30  ? 12.293 18.197 41.05  1   75.304  ? 34  F 1 .
ATOM 5908 C CB   . ILE Fxp F 30  ? 14.111 15.792 41.713 1   75.491  ? 34  F 1 .
ATOM 5909 C CG1  . ILE Fxp F 30  ? 14.579 14.384 41.999 1   75.029  ? 34  F 1 .
ATOM 5910 C CG2  . ILE Fxp F 30  ? 14.235 16.68  42.947 1   90.198  ? 34  F 1 .
ATOM 5911 C CD1  . ILE Fxp F 30  ? 15.56  14.263 43.16  1   80.386  ? 34  F 1 .
ATOM 5912 H H    . ILE Fxp F 30  ? 13.291 16.089 39.268 1   87.511  ? 34  F 1 c
ATOM 5913 H HA   . ILE Fxp F 30  ? 12.175 15.088 41.595 1   85.069  ? 34  F 1 c
ATOM 5914 H HB   . ILE Fxp F 30  ? 14.687 16.159 41.018 1   80.03   ? 34  F 1 c
ATOM 5915 H HG12 . ILE Fxp F 30  ? 15.005 14.028 41.193 1   76.348  ? 34  F 1 c
ATOM 5916 H HG13 . ILE Fxp F 30  ? 13.798 13.826 42.193 1   76.447  ? 34  F 1 c
ATOM 5917 H HG21 . ILE Fxp F 30  ? 15.156 16.69  43.253 1   85.296  ? 34  F 1 c
ATOM 5918 H HG22 . ILE Fxp F 30  ? 13.666 16.337 43.655 1   85.473  ? 34  F 1 c
ATOM 5919 H HG23 . ILE Fxp F 30  ? 13.969 17.585 42.729 1   85.135  ? 34  F 1 c
ATOM 5920 H HD11 . ILE Fxp F 30  ? 16.31  14.874 43.029 1   78.92   ? 34  F 1 c
ATOM 5921 H HD12 . ILE Fxp F 30  ? 15.896 13.347 43.196 1   78.831  ? 34  F 1 c
ATOM 5922 H HD13 . ILE Fxp F 30  ? 15.113 14.473 44.002 1   78.952  ? 34  F 1 c
ATOM 5923 N N    . GLU Fxp F 31  ? 11.131 17.045 42.629 1   89.73   ? 35  F 1 .
ATOM 5924 C CA   . GLU Fxp F 31  ? 10.282 18.15  43.063 1   83.683  ? 35  F 1 .
ATOM 5925 C C    . GLU Fxp F 31  ? 11.092 19.417 43.369 1   74.086  ? 35  F 1 .
ATOM 5926 O O    . GLU Fxp F 31  ? 10.671 20.503 43.008 1   61.927  ? 35  F 1 .
ATOM 5927 C CB   . GLU Fxp F 31  ? 9.402  17.743 44.244 1   75.624  ? 35  F 1 .
ATOM 5928 C CG   . GLU Fxp F 31  ? 8.505  16.554 43.931 1   79.994  ? 35  F 1 .
ATOM 5929 C CD   . GLU Fxp F 31  ? 7.48   16.269 45.014 1   103.443 ? 35  F 1 .
ATOM 5930 O OE1  . GLU Fxp F 31  ? 7.915  15.838 46.094 1   132.141 ? 35  F 1 .
ATOM 5931 O OE2  . GLU Fxp F 31  ? 6.262  16.467 44.82  1   110.312 ? 35  F 1 .
ATOM 5932 H H    . GLU Fxp F 31  ? 11.087 16.257 43.091 1   87.261  ? 35  F 1 c
ATOM 5933 H HA   . GLU Fxp F 31  ? 9.669  18.361 42.317 1   81.041  ? 35  F 1 c
ATOM 5934 H HB3  . GLU Fxp F 31  ? 8.843  18.505 44.498 1   78.225  ? 35  F 1 c
ATOM 5935 H HB2  . GLU Fxp F 31  ? 9.974  17.526 45.007 1   78.37   ? 35  F 1 c
ATOM 5936 H HG3  . GLU Fxp F 31  ? 9.059  15.754 43.809 1   83.857  ? 35  F 1 c
ATOM 5937 H HG2  . GLU Fxp F 31  ? 8.031  16.722 43.089 1   83.807  ? 35  F 1 c
ATOM 5938 N N    . LYS Fxp F 32  ? 12.251 19.292 44.02  1   68.373  ? 36  F 1 .
ATOM 5939 C CA   . LYS Fxp F 32  ? 13.025 20.459 44.411 1   70.601  ? 36  F 1 .
ATOM 5940 C C    . LYS Fxp F 32  ? 13.714 21.124 43.22  1   74.34   ? 36  F 1 .
ATOM 5941 O O    . LYS Fxp F 32  ? 14.196 22.255 43.351 1   78.478  ? 36  F 1 .
ATOM 5942 C CB   . LYS Fxp F 32  ? 14.139 20.144 45.421 1   74.335  ? 36  F 1 .
ATOM 5943 C CG   . LYS Fxp F 32  ? 15.488 19.702 44.859 1   70.596  ? 36  F 1 .
ATOM 5944 C CD   . LYS Fxp F 32  ? 16.043 18.382 45.381 1   72.105  ? 36  F 1 .
ATOM 5945 C CE   . LYS Fxp F 32  ? 16.832 18.447 46.636 1   82.976  ? 36  F 1 .
ATOM 5946 N NZ   . LYS Fxp F 32  ? 18.166 19.011 46.423 1   90.263  ? 36  F 1 .
ATOM 5947 H H    . LYS Fxp F 32  ? 12.561 18.461 44.24  1   70.637  ? 36  F 1 c
ATOM 5948 H HA   . LYS Fxp F 32  ? 12.408 21.115 44.824 1   71.451  ? 36  F 1 c
ATOM 5949 H HB3  . LYS Fxp F 32  ? 13.82  19.455 46.028 1   72.585  ? 36  F 1 c
ATOM 5950 H HB2  . LYS Fxp F 32  ? 14.29  20.952 45.957 1   72.598  ? 36  F 1 c
ATOM 5951 H HG3  . LYS Fxp F 32  ? 16.141 20.411 45.048 1   71.881  ? 36  F 1 c
ATOM 5952 H HG2  . LYS Fxp F 32  ? 15.41  19.635 43.885 1   71.799  ? 36  F 1 c
ATOM 5953 H HD3  . LYS Fxp F 32  ? 16.612 17.998 44.679 1   74.238  ? 36  F 1 c
ATOM 5954 H HD2  . LYS Fxp F 32  ? 15.302 17.756 45.509 1   74.134  ? 36  F 1 c
ATOM 5955 H HE3  . LYS Fxp F 32  ? 16.923 17.552 47.008 1   81.93   ? 36  F 1 c
ATOM 5956 H HE2  . LYS Fxp F 32  ? 16.359 18.998 47.285 1   81.897  ? 36  F 1 c
ATOM 5957 H HZ1  . LYS Fxp F 32  ? 18.098 19.868 46.14  1   87.802  ? 36  F 1 c
ATOM 5958 H HZ2  . LYS Fxp F 32  ? 18.609 18.525 45.799 1   87.821  ? 36  F 1 c
ATOM 5959 H HZ3  . LYS Fxp F 32  ? 18.632 18.991 47.199 1   87.9    ? 36  F 1 c
ATOM 5960 N N    . ASP Fxp F 33  ? 13.838 20.409 42.095 1   70.257  ? 37  F 1 .
ATOM 5961 C CA   . ASP Fxp F 33  ? 14.523 20.975 40.946 1   69.083  ? 37  F 1 .
ATOM 5962 C C    . ASP Fxp F 33  ? 13.51  21.736 40.105 1   68.659  ? 37  F 1 .
ATOM 5963 O O    . ASP Fxp F 33  ? 13.864 22.689 39.409 1   76.716  ? 37  F 1 .
ATOM 5964 C CB   . ASP Fxp F 33  ? 15.194 19.929 40.08  1   72.632  ? 37  F 1 .
ATOM 5965 C CG   . ASP Fxp F 33  ? 16.194 19.025 40.778 1   74.65   ? 37  F 1 .
ATOM 5966 O OD1  . ASP Fxp F 33  ? 17.047 19.569 41.511 1   65.191  ? 37  F 1 .
ATOM 5967 O OD2  . ASP Fxp F 33  ? 16.137 17.79  40.529 1   79.39   ? 37  F 1 .
ATOM 5968 H H    . ASP Fxp F 33  ? 13.509 19.559 42.044 1   71.002  ? 37  F 1 c
ATOM 5969 H HA   . ASP Fxp F 33  ? 15.211 21.603 41.264 1   69.95   ? 37  F 1 c
ATOM 5970 H HB3  . ASP Fxp F 33  ? 15.66  20.387 39.351 1   72.193  ? 37  F 1 c
ATOM 5971 H HB2  . ASP Fxp F 33  ? 14.5   19.362 39.686 1   72.253  ? 37  F 1 c
ATOM 5972 N N    . ILE Fxp F 34  ? 12.251 21.298 40.176 1   53.617  ? 38  F 1 .
ATOM 5973 C CA   . ILE Fxp F 34  ? 11.205 21.966 39.442 1   56.556  ? 38  F 1 .
ATOM 5974 C C    . ILE Fxp F 34  ? 11.082 23.36  40.042 1   70.259  ? 38  F 1 .
ATOM 5975 O O    . ILE Fxp F 34  ? 10.919 24.339 39.324 1   74.574  ? 38  F 1 .
ATOM 5976 C CB   . ILE Fxp F 34  ? 9.874  21.222 39.582 1   62.437  ? 38  F 1 .
ATOM 5977 C CG1  . ILE Fxp F 34  ? 10.045 19.75  39.99  1   64.138  ? 38  F 1 .
ATOM 5978 C CG2  . ILE Fxp F 34  ? 9.014  21.42  38.337 1   64.644  ? 38  F 1 .
ATOM 5979 C CD1  . ILE Fxp F 34  ? 10.221 18.764 38.854 1   65.74   ? 38  F 1 .
ATOM 5980 H H    . ILE Fxp F 34  ? 12.047 20.587 40.709 1   57.976  ? 38  F 1 c
ATOM 5981 H HA   . ILE Fxp F 34  ? 11.452 22.03  38.498 1   59.439  ? 38  F 1 c
ATOM 5982 H HB   . ILE Fxp F 34  ? 9.394  21.652 40.318 1   62.091  ? 38  F 1 c
ATOM 5983 H HG12 . ILE Fxp F 34  ? 9.251  19.486 40.497 1   64.215  ? 38  F 1 c
ATOM 5984 H HG13 . ILE Fxp F 34  ? 10.808 19.673 40.59  1   64.062  ? 38  F 1 c
ATOM 5985 H HG21 . ILE Fxp F 34  ? 8.092  21.2   38.544 1   64.328  ? 38  F 1 c
ATOM 5986 H HG22 . ILE Fxp F 34  ? 9.333  20.848 37.62  1   64.25   ? 38  F 1 c
ATOM 5987 H HG23 . ILE Fxp F 34  ? 9.065  22.347 38.056 1   64.311  ? 38  F 1 c
ATOM 5988 H HD11 . ILE Fxp F 34  ? 9.37   18.632 38.399 1   65.493  ? 38  F 1 c
ATOM 5989 H HD12 . ILE Fxp F 34  ? 10.534 17.909 39.205 1   65.446  ? 38  F 1 c
ATOM 5990 H HD13 . ILE Fxp F 34  ? 10.877 19.112 38.22  1   65.335  ? 38  F 1 c
ATOM 5991 N N    . ALA Fxp F 35  ? 11.102 23.421 41.382 1   71.107  ? 39  F 1 .
ATOM 5992 C CA   . ALA Fxp F 35  ? 11.036 24.676 42.108 1   68.595  ? 39  F 1 .
ATOM 5993 C C    . ALA Fxp F 35  ? 12.187 25.555 41.675 1   68.337  ? 39  F 1 .
ATOM 5994 O O    . ALA Fxp F 35  ? 11.974 26.691 41.279 1   85.452  ? 39  F 1 .
ATOM 5995 C CB   . ALA Fxp F 35  ? 11.118 24.452 43.599 1   75.464  ? 39  F 1 .
ATOM 5996 H H    . ALA Fxp F 35  ? 11.147 22.643 41.86  1   70.141  ? 39  F 1 c
ATOM 5997 H HA   . ALA Fxp F 35  ? 10.182 25.13  41.881 1   70.202  ? 39  F 1 c
ATOM 5998 H HB3  . ALA Fxp F 35  ? 11.267 25.3   44.051 1   73.311  ? 39  F 1 c
ATOM 5999 H HB2  . ALA Fxp F 35  ? 11.853 23.848 43.8   1   73.287  ? 39  F 1 c
ATOM 6000 H HB1  . ALA Fxp F 35  ? 10.287 24.061 43.917 1   73.333  ? 39  F 1 c
ATOM 6001 N N    . ALA Fxp F 36  ? 13.398 25.025 41.818 1   66.598  ? 40  F 1 .
ATOM 6002 C CA   . ALA Fxp F 36  ? 14.594 25.71  41.367 1   70.434  ? 40  F 1 .
ATOM 6003 C C    . ALA Fxp F 36  ? 14.379 26.408 40.01  1   68.583  ? 40  F 1 .
ATOM 6004 O O    . ALA Fxp F 36  ? 14.636 27.618 39.88  1   54.338  ? 40  F 1 .
ATOM 6005 C CB   . ALA Fxp F 36  ? 15.718 24.699 41.338 1   75.281  ? 40  F 1 .
ATOM 6006 H H    . ALA Fxp F 36  ? 13.483 24.203 42.21  1   68.063  ? 40  F 1 c
ATOM 6007 H HA   . ALA Fxp F 36  ? 14.813 26.41  42.036 1   70.173  ? 40  F 1 c
ATOM 6008 H HB3  . ALA Fxp F 36  ? 16.567 25.158 41.222 1   73.803  ? 40  F 1 c
ATOM 6009 H HB2  . ALA Fxp F 36  ? 15.586 24.082 40.6   1   73.817  ? 40  F 1 c
ATOM 6010 H HB1  . ALA Fxp F 36  ? 15.735 24.202 42.173 1   73.769  ? 40  F 1 c
ATOM 6011 N N    . TYR Fxp F 37  ? 13.867 25.665 39.01  1   65.601  ? 41  F 1 .
ATOM 6012 C CA   . TYR Fxp F 37  ? 13.795 26.156 37.636 1   76.984  ? 41  F 1 .
ATOM 6013 C C    . TYR Fxp F 37  ? 12.89  27.391 37.524 1   75.56   ? 41  F 1 .
ATOM 6014 O O    . TYR Fxp F 37  ? 13.241 28.35  36.822 1   60.004  ? 41  F 1 .
ATOM 6015 C CB   . TYR Fxp F 37  ? 13.364 25.029 36.688 1   80.943  ? 41  F 1 .
ATOM 6016 C CG   . TYR Fxp F 37  ? 13.264 25.46  35.229 1   81.629  ? 41  F 1 .
ATOM 6017 C CD1  . TYR Fxp F 37  ? 14.365 25.422 34.394 1   84.7    ? 41  F 1 .
ATOM 6018 C CD2  . TYR Fxp F 37  ? 12.066 25.921 34.699 1   78.23   ? 41  F 1 .
ATOM 6019 C CE1  . TYR Fxp F 37  ? 14.277 25.844 33.08  1   98.855  ? 41  F 1 .
ATOM 6020 C CE2  . TYR Fxp F 37  ? 11.958 26.325 33.385 1   82      ? 41  F 1 .
ATOM 6021 C CZ   . TYR Fxp F 37  ? 13.074 26.312 32.58  1   92.875  ? 41  F 1 .
ATOM 6022 O OH   . TYR Fxp F 37  ? 12.95  26.751 31.299 1   100.048 ? 41  F 1 .
ATOM 6023 H H    . TYR Fxp F 37  ? 13.556 24.825 39.192 1   68.8    ? 41  F 1 c
ATOM 6024 H HA   . TYR Fxp F 37  ? 14.713 26.433 37.372 1   75.045  ? 41  F 1 c
ATOM 6025 H HB3  . TYR Fxp F 37  ? 12.489 24.691 36.982 1   80.181  ? 41  F 1 c
ATOM 6026 H HB2  . TYR Fxp F 37  ? 14.013 24.294 36.76  1   80.181  ? 41  F 1 c
ATOM 6027 H HD1  . TYR Fxp F 37  ? 15.196 25.127 34.732 1   87.038  ? 41  F 1 c
ATOM 6028 H HD2  . TYR Fxp F 37  ? 11.301 25.954 35.252 1   80.177  ? 41  F 1 c
ATOM 6029 H HE1  . TYR Fxp F 37  ? 15.04  25.828 32.527 1   93.731  ? 41  F 1 c
ATOM 6030 H HE2  . TYR Fxp F 37  ? 11.14  26.653 33.055 1   83.653  ? 41  F 1 c
ATOM 6031 H HH   . TYR Fxp F 37  ? 13.911 26.621 30.932 0   75.07   ? 41  F 1 c
ATOM 6032 N N    . ILE Fxp F 38  ? 11.749 27.344 38.239 1   77.539  ? 42  F 1 .
ATOM 6033 C CA   . ILE Fxp F 38  ? 10.733 28.396 38.258 1   74.866  ? 42  F 1 .
ATOM 6034 C C    . ILE Fxp F 38  ? 11.225 29.629 39.025 1   72.337  ? 42  F 1 .
ATOM 6035 O O    . ILE Fxp F 38  ? 11.139 30.751 38.547 1   64.669  ? 42  F 1 .
ATOM 6036 C CB   . ILE Fxp F 38  ? 9.415  27.87  38.869 1   71.103  ? 42  F 1 .
ATOM 6037 C CG1  . ILE Fxp F 38  ? 8.895  26.632 38.104 1   67.235  ? 42  F 1 .
ATOM 6038 C CG2  . ILE Fxp F 38  ? 8.371  28.992 38.928 1   69.249  ? 42  F 1 .
ATOM 6039 C CD1  . ILE Fxp F 38  ? 8.095  25.623 38.907 1   57.177  ? 42  F 1 .
ATOM 6040 H H    . ILE Fxp F 38  ? 11.602 26.604 38.755 1   76.19   ? 42  F 1 c
ATOM 6041 H HA   . ILE Fxp F 38  ? 10.555 28.661 37.335 1   74.204  ? 42  F 1 c
ATOM 6042 H HB   . ILE Fxp F 38  ? 9.605  27.591 39.786 1   70.622  ? 42  F 1 c
ATOM 6043 H HG12 . ILE Fxp F 38  ? 9.661  26.167 37.709 1   65.773  ? 42  F 1 c
ATOM 6044 H HG13 . ILE Fxp F 38  ? 8.334  26.945 37.366 1   65.666  ? 42  F 1 c
ATOM 6045 H HG21 . ILE Fxp F 38  ? 7.518  28.629 39.219 1   69.775  ? 42  F 1 c
ATOM 6046 H HG22 . ILE Fxp F 38  ? 8.268  29.388 38.046 1   69.775  ? 42  F 1 c
ATOM 6047 H HG23 . ILE Fxp F 38  ? 8.659  29.675 39.554 1   69.736  ? 42  F 1 c
ATOM 6048 H HD11 . ILE Fxp F 38  ? 8.515  25.488 39.777 1   60.122  ? 42  F 1 c
ATOM 6049 H HD12 . ILE Fxp F 38  ? 8.065  24.774 38.427 1   60.02   ? 42  F 1 c
ATOM 6050 H HD13 . ILE Fxp F 38  ? 7.186  25.955 39.034 1   60.041  ? 42  F 1 c
ATOM 6051 N N    . LYS Fxp F 39  ? 11.688 29.42  40.255 1   73.383  ? 43  F 1 .
ATOM 6052 C CA   . LYS Fxp F 39  ? 12.178 30.501 41.094 1   77.096  ? 43  F 1 .
ATOM 6053 C C    . LYS Fxp F 39  ? 13.24  31.286 40.341 1   77.551  ? 43  F 1 .
ATOM 6054 O O    . LYS Fxp F 39  ? 13.224 32.513 40.38  1   64.986  ? 43  F 1 .
ATOM 6055 C CB   . LYS Fxp F 39  ? 12.76  29.917 42.39  1   85.481  ? 43  F 1 .
ATOM 6056 C CG   . LYS Fxp F 39  ? 13.114 30.877 43.53  1   79.628  ? 43  F 1 .
ATOM 6057 C CD   . LYS Fxp F 39  ? 14.361 31.716 43.298 1   78.427  ? 43  F 1 .
ATOM 6058 C CE   . LYS Fxp F 39  ? 15.161 31.924 44.548 1   81.549  ? 43  F 1 .
ATOM 6059 N NZ   . LYS Fxp F 39  ? 14.734 33.081 45.341 1   84.454  ? 43  F 1 .
ATOM 6060 H H    . LYS Fxp F 39  ? 11.698 28.569 40.587 1   74.115  ? 43  F 1 c
ATOM 6061 H HA   . LYS Fxp F 39  ? 11.421 31.103 41.31  1   77.87   ? 43  F 1 c
ATOM 6062 H HB3  . LYS Fxp F 39  ? 13.571 29.423 42.15  1   81.864  ? 43  F 1 c
ATOM 6063 H HB2  . LYS Fxp F 39  ? 12.118 29.263 42.74  1   82.038  ? 43  F 1 c
ATOM 6064 H HG3  . LYS Fxp F 39  ? 13.232 30.35  44.35  1   80.446  ? 43  F 1 c
ATOM 6065 H HG2  . LYS Fxp F 39  ? 12.352 31.478 43.675 1   80.605  ? 43  F 1 c
ATOM 6066 H HD3  . LYS Fxp F 39  ? 14.092 32.588 42.94  1   79.379  ? 43  F 1 c
ATOM 6067 H HD2  . LYS Fxp F 39  ? 14.926 31.274 42.628 1   79.444  ? 43  F 1 c
ATOM 6068 H HE3  . LYS Fxp F 39  ? 16.096 32.048 44.303 1   81.492  ? 43  F 1 c
ATOM 6069 H HE2  . LYS Fxp F 39  ? 15.109 31.128 45.106 1   81.481  ? 43  F 1 c
ATOM 6070 H HZ1  . LYS Fxp F 39  ? 13.927 32.915 45.717 1   83.455  ? 43  F 1 c
ATOM 6071 H HZ2  . LYS Fxp F 39  ? 14.672 33.813 44.811 1   83.432  ? 43  F 1 c
ATOM 6072 H HZ3  . LYS Fxp F 39  ? 15.34  33.239 45.993 1   83.172  ? 43  F 1 c
ATOM 6073 N N    . LYS Fxp F 40  ? 14.166 30.55  39.702 1   84.972  ? 44  F 1 .
ATOM 6074 C CA   . LYS Fxp F 40  ? 15.293 31.154 39.014 1   90.393  ? 44  F 1 .
ATOM 6075 C C    . LYS Fxp F 40  ? 14.774 31.972 37.843 1   88.539  ? 44  F 1 .
ATOM 6076 O O    . LYS Fxp F 40  ? 15.181 33.115 37.675 1   99.394  ? 44  F 1 .
ATOM 6077 C CB   . LYS Fxp F 40  ? 16.273 30.112 38.481 1   88.376  ? 44  F 1 .
ATOM 6078 C CG   . LYS Fxp F 40  ? 16.894 29.226 39.533 1   88.525  ? 44  F 1 .
ATOM 6079 C CD   . LYS Fxp F 40  ? 18.335 29.49  39.954 1   87.282  ? 44  F 1 .
ATOM 6080 C CE   . LYS Fxp F 40  ? 18.964 28.125 40.066 1   90.624  ? 44  F 1 .
ATOM 6081 N NZ   . LYS Fxp F 40  ? 20.182 28.145 40.867 1   105.935 ? 44  F 1 .
ATOM 6082 H H    . LYS Fxp F 40  ? 14.089 29.639 39.7   1   84.192  ? 44  F 1 c
ATOM 6083 H HA   . LYS Fxp F 40  ? 15.762 31.756 39.646 1   88.666  ? 44  F 1 c
ATOM 6084 H HB3  . LYS Fxp F 40  ? 16.992 30.575 38     1   88.858  ? 44  F 1 c
ATOM 6085 H HB2  . LYS Fxp F 40  ? 15.803 29.543 37.835 1   88.861  ? 44  F 1 c
ATOM 6086 H HG3  . LYS Fxp F 40  ? 16.837 28.302 39.206 1   87.958  ? 44  F 1 c
ATOM 6087 H HG2  . LYS Fxp F 40  ? 16.333 29.276 40.336 1   87.864  ? 44  F 1 c
ATOM 6088 H HD3  . LYS Fxp F 40  ? 18.363 29.946 40.824 1   88.316  ? 44  F 1 c
ATOM 6089 H HD2  . LYS Fxp F 40  ? 18.805 30.022 39.276 1   88.319  ? 44  F 1 c
ATOM 6090 H HE3  . LYS Fxp F 40  ? 19.178 27.793 39.176 1   93.214  ? 44  F 1 c
ATOM 6091 H HE2  . LYS Fxp F 40  ? 18.338 27.503 40.479 1   93.189  ? 44  F 1 c
ATOM 6092 H HZ1  . LYS Fxp F 40  ? 19.98  28.355 41.725 1   100.941 ? 44  F 1 c
ATOM 6093 H HZ2  . LYS Fxp F 40  ? 20.756 28.763 40.536 1   100.877 ? 44  F 1 c
ATOM 6094 H HZ3  . LYS Fxp F 40  ? 20.576 27.33  40.845 1   100.941 ? 44  F 1 c
ATOM 6095 N N    . GLU Fxp F 41  ? 13.858 31.38  37.074 1   79.202  ? 45  F 1 .
ATOM 6096 C CA   . GLU Fxp F 41  ? 13.358 31.997 35.86  1   86.334  ? 45  F 1 .
ATOM 6097 C C    . GLU Fxp F 41  ? 12.745 33.357 36.158 1   85.914  ? 45  F 1 .
ATOM 6098 O O    . GLU Fxp F 41  ? 12.812 34.255 35.326 1   110.998 ? 45  F 1 .
ATOM 6099 C CB   . GLU Fxp F 41  ? 12.285 31.154 35.175 1   105.232 ? 45  F 1 .
ATOM 6100 C CG   . GLU Fxp F 41  ? 12.851 30.123 34.205 1   126.714 ? 45  F 1 .
ATOM 6101 C CD   . GLU Fxp F 41  ? 13.806 30.702 33.187 1   128.881 ? 45  F 1 .
ATOM 6102 O OE1  . GLU Fxp F 41  ? 13.467 31.765 32.637 1   133.315 ? 45  F 1 .
ATOM 6103 O OE2  . GLU Fxp F 41  ? 14.874 30.102 32.964 1   136.712 ? 45  F 1 .
ATOM 6104 H H    . GLU Fxp F 41  ? 13.539 30.557 37.311 1   83.282  ? 45  F 1 c
ATOM 6105 H HA   . GLU Fxp F 41  ? 14.12  32.127 35.243 1   88.461  ? 45  F 1 c
ATOM 6106 H HB3  . GLU Fxp F 41  ? 11.679 31.747 34.682 1   104.921 ? 45  F 1 c
ATOM 6107 H HB2  . GLU Fxp F 41  ? 11.757 30.693 35.86  1   104.771 ? 45  F 1 c
ATOM 6108 H HG3  . GLU Fxp F 41  ? 12.11  29.692 33.727 1   121.855 ? 45  F 1 c
ATOM 6109 H HG2  . GLU Fxp F 41  ? 13.321 29.429 34.711 1   121.437 ? 45  F 1 c
ATOM 6110 N N    . PHE Fxp F 42  ? 12.133 33.489 37.332 1   84.949  ? 46  F 1 .
ATOM 6111 C CA   . PHE Fxp F 42  ? 11.32  34.652 37.649 1   89.728  ? 46  F 1 .
ATOM 6112 C C    . PHE Fxp F 42  ? 12.196 35.815 38.095 1   85.586  ? 46  F 1 .
ATOM 6113 O O    . PHE Fxp F 42  ? 11.979 36.953 37.699 1   93.421  ? 46  F 1 .
ATOM 6114 C CB   . PHE Fxp F 42  ? 10.293 34.28  38.726 1   93.969  ? 46  F 1 .
ATOM 6115 C CG   . PHE Fxp F 42  ? 8.957  33.869 38.136 1   85.458  ? 46  F 1 .
ATOM 6116 C CD1  . PHE Fxp F 42  ? 8.748  32.576 37.677 1   76.221  ? 46  F 1 .
ATOM 6117 C CD2  . PHE Fxp F 42  ? 7.93   34.796 38.011 1   82.705  ? 46  F 1 .
ATOM 6118 C CE1  . PHE Fxp F 42  ? 7.533  32.221 37.127 1   71.75   ? 46  F 1 .
ATOM 6119 C CE2  . PHE Fxp F 42  ? 6.722  34.44  37.444 1   70.704  ? 46  F 1 .
ATOM 6120 C CZ   . PHE Fxp F 42  ? 6.531  33.157 37.001 1   68.931  ? 46  F 1 .
ATOM 6121 H H    . PHE Fxp F 42  ? 12.215 32.829 37.959 1   86.285  ? 46  F 1 c
ATOM 6122 H HA   . PHE Fxp F 42  ? 10.829 34.924 36.829 1   88.825  ? 46  F 1 c
ATOM 6123 H HB3  . PHE Fxp F 42  ? 10.158 35.055 39.314 1   90.644  ? 46  F 1 c
ATOM 6124 H HB2  . PHE Fxp F 42  ? 10.649 33.541 39.267 1   90.856  ? 46  F 1 c
ATOM 6125 H HD1  . PHE Fxp F 42  ? 9.435  31.937 37.751 1   77.056  ? 46  F 1 c
ATOM 6126 H HD2  . PHE Fxp F 42  ? 8.065  35.683 38.305 1   80.361  ? 46  F 1 c
ATOM 6127 H HE1  . PHE Fxp F 42  ? 7.397  31.339 36.818 1   72.245  ? 46  F 1 c
ATOM 6128 H HE2  . PHE Fxp F 42  ? 6.029  35.076 37.369 1   73.022  ? 46  F 1 c
ATOM 6129 H HZ   . PHE Fxp F 42  ? 5.704  32.911 36.63  1   70.382  ? 46  F 1 c
ATOM 6130 N N    . ASP Fxp F 43  ? 13.152 35.52  38.97  1   80.814  ? 47  F 1 .
ATOM 6131 C CA   . ASP Fxp F 43  ? 14.14  36.494 39.372 1   86.931  ? 47  F 1 .
ATOM 6132 C C    . ASP Fxp F 43  ? 14.754 37.113 38.117 1   100.275 ? 47  F 1 .
ATOM 6133 O O    . ASP Fxp F 43  ? 15.069 38.301 38.114 1   113.782 ? 47  F 1 .
ATOM 6134 C CB   . ASP Fxp F 43  ? 15.17  35.809 40.258 1   106.706 ? 47  F 1 .
ATOM 6135 C CG   . ASP Fxp F 43  ? 14.694 35.403 41.649 1   90.889  ? 47  F 1 .
ATOM 6136 O OD1  . ASP Fxp F 43  ? 13.662 35.929 42.076 1   79.409  ? 47  F 1 .
ATOM 6137 O OD2  . ASP Fxp F 43  ? 15.363 34.574 42.292 1   81.638  ? 47  F 1 .
ATOM 6138 H H    . ASP Fxp F 43  ? 13.186 34.682 39.333 1   83.63   ? 47  F 1 c
ATOM 6139 H HA   . ASP Fxp F 43  ? 13.69  37.202 39.887 1   91.263  ? 47  F 1 c
ATOM 6140 H HB3  . ASP Fxp F 43  ? 15.935 36.411 40.366 1   98.133  ? 47  F 1 c
ATOM 6141 H HB2  . ASP Fxp F 43  ? 15.487 35.003 39.8   1   98.045  ? 47  F 1 c
ATOM 6142 N N    . LYS Fxp F 44  ? 14.953 36.283 37.077 1   102.253 ? 48  F 1 .
ATOM 6143 C CA   . LYS Fxp F 44  ? 15.541 36.707 35.816 1   88.076  ? 48  F 1 .
ATOM 6144 C C    . LYS Fxp F 44  ? 14.615 37.713 35.158 1   79.12   ? 48  F 1 .
ATOM 6145 O O    . LYS Fxp F 44  ? 15.023 38.848 34.946 1   100.63  ? 48  F 1 .
ATOM 6146 C CB   . LYS Fxp F 44  ? 15.715 35.553 34.828 1   102.08  ? 48  F 1 .
ATOM 6147 C CG   . LYS Fxp F 44  ? 16.783 35.739 33.755 1   120.082 ? 48  F 1 .
ATOM 6148 C CD   . LYS Fxp F 44  ? 18.153 35.106 34.024 1   120.01  ? 48  F 1 .
ATOM 6149 C CE   . LYS Fxp F 44  ? 18.152 33.603 34.135 1   110.801 ? 48  F 1 .
ATOM 6150 N NZ   . LYS Fxp F 44  ? 17.37  32.907 33.098 1   111.734 ? 48  F 1 .
ATOM 6151 H H    . LYS Fxp F 44  ? 14.725 35.403 37.17  1   98.141  ? 48  F 1 c
ATOM 6152 H HA   . LYS Fxp F 44  ? 16.416 37.135 35.998 1   91.355  ? 48  F 1 c
ATOM 6153 H HB3  . LYS Fxp F 44  ? 14.861 35.39  34.378 1   101.906 ? 48  F 1 c
ATOM 6154 H HB2  . LYS Fxp F 44  ? 15.935 34.745 35.338 1   102.409 ? 48  F 1 c
ATOM 6155 H HG3  . LYS Fxp F 44  ? 16.91  36.703 33.618 1   115.291 ? 48  F 1 c
ATOM 6156 H HG2  . LYS Fxp F 44  ? 16.433 35.375 32.913 1   115.548 ? 48  F 1 c
ATOM 6157 H HD3  . LYS Fxp F 44  ? 18.51  35.482 34.858 1   117.834 ? 48  F 1 c
ATOM 6158 H HD2  . LYS Fxp F 44  ? 18.763 35.368 33.301 1   117.834 ? 48  F 1 c
ATOM 6159 H HE3  . LYS Fxp F 44  ? 17.8   33.352 35.007 1   112.991 ? 48  F 1 c
ATOM 6160 H HE2  . LYS Fxp F 44  ? 19.072 33.287 34.09  1   113.052 ? 48  F 1 c
ATOM 6161 H HZ1  . LYS Fxp F 44  ? 17.481 33.32  32.3   1   111.529 ? 48  F 1 c
ATOM 6162 H HZ2  . LYS Fxp F 44  ? 16.492 32.915 33.319 1   111.502 ? 48  F 1 c
ATOM 6163 H HZ3  . LYS Fxp F 44  ? 17.651 32.048 33.03  1   111.473 ? 48  F 1 c
ATOM 6164 N N    . LYS Fxp F 45  ? 13.369 37.308 34.886 1   70.816  ? 49  F 1 .
ATOM 6165 C CA   . LYS Fxp F 45  ? 12.402 38.207 34.261 1   79.424  ? 49  F 1 .
ATOM 6166 C C    . LYS Fxp F 45  ? 11.945 39.281 35.249 1   82.127  ? 49  F 1 .
ATOM 6167 O O    . LYS Fxp F 45  ? 12.305 40.442 35.098 1   86.622  ? 49  F 1 .
ATOM 6168 C CB   . LYS Fxp F 45  ? 11.185 37.485 33.67  1   80.736  ? 49  F 1 .
ATOM 6169 C CG   . LYS Fxp F 45  ? 11.539 36.3   32.766 1   92.838  ? 49  F 1 .
ATOM 6170 C CD   . LYS Fxp F 45  ? 10.407 35.284 32.63  1   107.161 ? 49  F 1 .
ATOM 6171 C CE   . LYS Fxp F 45  ? 10.84  33.844 32.458 1   112.806 ? 49  F 1 .
ATOM 6172 N NZ   . LYS Fxp F 45  ? 10.731 33.325 31.093 1   117.479 ? 49  F 1 .
ATOM 6173 H H    . LYS Fxp F 45  ? 13.104 36.464 35.118 1   75.393  ? 49  F 1 c
ATOM 6174 H HA   . LYS Fxp F 45  ? 12.86  38.663 33.509 1   78.535  ? 49  F 1 c
ATOM 6175 H HB3  . LYS Fxp F 45  ? 10.657 38.127 33.15  1   83.093  ? 49  F 1 c
ATOM 6176 H HB2  . LYS Fxp F 45  ? 10.623 37.16  34.405 1   83.313  ? 49  F 1 c
ATOM 6177 H HG3  . LYS Fxp F 45  ? 12.332 35.852 33.128 1   92.856  ? 49  F 1 c
ATOM 6178 H HG2  . LYS Fxp F 45  ? 11.768 36.645 31.876 1   92.901  ? 49  F 1 c
ATOM 6179 H HD3  . LYS Fxp F 45  ? 9.855  35.539 31.859 1   104.947 ? 49  F 1 c
ATOM 6180 H HD2  . LYS Fxp F 45  ? 9.835  35.344 33.426 1   104.624 ? 49  F 1 c
ATOM 6181 H HE3  . LYS Fxp F 45  ? 10.297 33.286 33.042 1   112.541 ? 49  F 1 c
ATOM 6182 H HE2  . LYS Fxp F 45  ? 11.765 33.754 32.748 1   112.4   ? 49  F 1 c
ATOM 6183 H HZ1  . LYS Fxp F 45  ? 11.126 33.9   30.514 1   116.021 ? 49  F 1 c
ATOM 6184 H HZ2  . LYS Fxp F 45  ? 9.858  33.232 30.87  1   116.021 ? 49  F 1 c
ATOM 6185 H HZ3  . LYS Fxp F 45  ? 11.14  32.519 31.038 1   116.021 ? 49  F 1 c
ATOM 6186 N N    . TYR Fxp F 46  ? 11.206 38.874 36.291 1   87.02   ? 50  F 1 .
ATOM 6187 C CA   . TYR Fxp F 46  ? 10.309 39.756 37.015 1   75.365  ? 50  F 1 .
ATOM 6188 C C    . TYR Fxp F 46  ? 10.919 40.331 38.285 1   81.859  ? 50  F 1 .
ATOM 6189 O O    . TYR Fxp F 46  ? 10.205 40.981 39.035 1   101.673 ? 50  F 1 .
ATOM 6190 C CB   . TYR Fxp F 46  ? 9.056  38.956 37.351 1   74.749  ? 50  F 1 .
ATOM 6191 C CG   . TYR Fxp F 46  ? 8.183  38.712 36.128 1   100.072 ? 50  F 1 .
ATOM 6192 C CD1  . TYR Fxp F 46  ? 7.616  39.772 35.426 1   111.674 ? 50  F 1 .
ATOM 6193 C CD2  . TYR Fxp F 46  ? 7.892  37.423 35.697 1   106.495 ? 50  F 1 .
ATOM 6194 C CE1  . TYR Fxp F 46  ? 6.801  39.553 34.327 1   113.04  ? 50  F 1 .
ATOM 6195 C CE2  . TYR Fxp F 46  ? 7.077  37.19  34.603 1   103.567 ? 50  F 1 .
ATOM 6196 C CZ   . TYR Fxp F 46  ? 6.532  38.257 33.916 1   112.41  ? 50  F 1 .
ATOM 6197 O OH   . TYR Fxp F 46  ? 5.739  37.999 32.836 1   117.536 ? 50  F 1 .
ATOM 6198 H H    . TYR Fxp F 46  ? 11.27  38.002 36.558 1   82.99   ? 50  F 1 c
ATOM 6199 H HA   . TYR Fxp F 46  ? 10.054 40.509 36.418 1   79.018  ? 50  F 1 c
ATOM 6200 H HB3  . TYR Fxp F 46  ? 8.534  39.447 38.024 1   80.24   ? 50  F 1 c
ATOM 6201 H HB2  . TYR Fxp F 46  ? 9.324  38.092 37.736 1   80.389  ? 50  F 1 c
ATOM 6202 H HD1  . TYR Fxp F 46  ? 7.79   40.658 35.702 1   108.678 ? 50  F 1 c
ATOM 6203 H HD2  . TYR Fxp F 46  ? 8.257  36.688 36.161 1   103.694 ? 50  F 1 c
ATOM 6204 H HE1  . TYR Fxp F 46  ? 6.431  40.282 33.859 1   112.334 ? 50  F 1 c
ATOM 6205 H HE2  . TYR Fxp F 46  ? 6.9    36.308 34.323 1   106.254 ? 50  F 1 c
ATOM 6206 H HH   . TYR Fxp F 46  ? 5.524  38.755 32.523 0   101.93  ? 50  F 1 c
ATOM 6207 N N    . ASN Fxp F 47  ? 12.207 40.076 38.535 1   88.056  ? 51  F 1 .
ATOM 6208 C CA   . ASN Fxp F 47  ? 12.95  40.716 39.617 1   96.375  ? 51  F 1 .
ATOM 6209 C C    . ASN Fxp F 47  ? 12.781 39.976 40.942 1   85.949  ? 51  F 1 .
ATOM 6210 O O    . ASN Fxp F 47  ? 11.671 39.64  41.347 1   90.374  ? 51  F 1 .
ATOM 6211 C CB   . ASN Fxp F 47  ? 12.595 42.185 39.86  1   100.042 ? 51  F 1 .
ATOM 6212 C CG   . ASN Fxp F 47  ? 12.891 43.059 38.665 1   101.219 ? 51  F 1 .
ATOM 6213 O OD1  . ASN Fxp F 47  ? 13.992 43.002 38.1   1   103.512 ? 51  F 1 .
ATOM 6214 N ND2  . ASN Fxp F 47  ? 11.927 43.872 38.266 1   102.094 ? 51  F 1 .
ATOM 6215 H H    . ASN Fxp F 47  ? 12.646 39.469 38.013 1   88.184  ? 51  F 1 c
ATOM 6216 H HA   . ASN Fxp F 47  ? 13.898 40.692 39.37  1   92.991  ? 51  F 1 c
ATOM 6217 H HB3  . ASN Fxp F 47  ? 13.11  42.512 40.624 1   99.375  ? 51  F 1 c
ATOM 6218 H HB2  . ASN Fxp F 47  ? 11.648 42.259 40.087 1   99.392  ? 51  F 1 c
ATOM 6219 H HD21 . ASN Fxp F 47  ? 11.736 43.943 37.403 1   101.824 ? 51  F 1 c
ATOM 6220 H HD22 . ASN Fxp F 47  ? 11.472 44.346 38.863 1   101.824 ? 51  F 1 c
ATOM 6221 N N    . PRO Fxp F 48  ? 13.897 39.752 41.672 1   73.15   ? 52  F 1 .
ATOM 6222 C CA   . PRO Fxp F 48  ? 13.844 39.23  43.027 1   71.91   ? 52  F 1 .
ATOM 6223 C C    . PRO Fxp F 48  ? 12.895 40     43.931 1   77.14   ? 52  F 1 .
ATOM 6224 O O    . PRO Fxp F 48  ? 12.727 41.204 43.76  1   90.287  ? 52  F 1 .
ATOM 6225 C CB   . PRO Fxp F 48  ? 15.274 39.397 43.51  1   70.715  ? 52  F 1 .
ATOM 6226 C CG   . PRO Fxp F 48  ? 16.09  39.261 42.244 1   70.359  ? 52  F 1 .
ATOM 6227 C CD   . PRO Fxp F 48  ? 15.276 39.97  41.209 1   74.06   ? 52  F 1 .
ATOM 6228 H HA   . PRO Fxp F 48  ? 13.597 38.286 43.001 1   72.921  ? 52  F 1 c
ATOM 6229 H HB3  . PRO Fxp F 48  ? 15.509 38.702 44.155 1   70.932  ? 52  F 1 c
ATOM 6230 H HB2  . PRO Fxp F 48  ? 15.407 40.274 43.92  1   70.941  ? 52  F 1 c
ATOM 6231 H HG3  . PRO Fxp F 48  ? 16.214 38.321 42.005 1   71.272  ? 52  F 1 c
ATOM 6232 H HG2  . PRO Fxp F 48  ? 16.967 39.683 42.345 1   71.272  ? 52  F 1 c
ATOM 6233 H HD3  . PRO Fxp F 48  ? 15.486 40.923 41.179 1   73.079  ? 52  F 1 c
ATOM 6234 H HD2  . PRO Fxp F 48  ? 15.414 39.579 40.326 1   73.418  ? 52  F 1 c
ATOM 6235 N N    . THR Fxp F 49  ? 12.334 39.315 44.933 1   81.96   ? 53  F 1 .
ATOM 6236 C CA   . THR Fxp F 49  ? 12.784 37.998 45.38  1   75.454  ? 53  F 1 .
ATOM 6237 C C    . THR Fxp F 49  ? 11.625 37.002 45.368 1   65.157  ? 53  F 1 .
ATOM 6238 O O    . THR Fxp F 49  ? 10.713 37.089 46.184 1   88.466  ? 53  F 1 .
ATOM 6239 C CB   . THR Fxp F 49  ? 13.367 38.118 46.791 1   76.605  ? 53  F 1 .
ATOM 6240 O OG1  . THR Fxp F 49  ? 14.195 39.281 46.83  1   75.023  ? 53  F 1 .
ATOM 6241 C CG2  . THR Fxp F 49  ? 14.121 36.865 47.209 1   74.853  ? 53  F 1 .
ATOM 6242 H H    . THR Fxp F 49  ? 11.627 39.695 45.369 1   79.628  ? 53  F 1 c
ATOM 6243 H HA   . THR Fxp F 49  ? 13.486 37.676 44.782 1   74.578  ? 53  F 1 c
ATOM 6244 H HB   . THR Fxp F 49  ? 12.624 38.243 47.429 1   75.762  ? 53  F 1 c
ATOM 6245 H HG1  . THR Fxp F 49  ? 14.995 39.081 46.201 0   90.53   ? 53  F 1 c
ATOM 6246 H HG21 . THR Fxp F 49  ? 14.692 37.069 47.969 1   75.336  ? 53  F 1 c
ATOM 6247 H HG22 . THR Fxp F 49  ? 14.669 36.553 46.469 1   75.332  ? 53  F 1 c
ATOM 6248 H HG23 . THR Fxp F 49  ? 13.488 36.172 47.457 1   75.245  ? 53  F 1 c
ATOM 6249 N N    . TRP Fxp F 50  ? 11.68  36.026 44.47  1   59.503  ? 54  F 1 .
ATOM 6250 C CA   . TRP Fxp F 50  ? 10.63  35.018 44.356 1   62.31   ? 54  F 1 .
ATOM 6251 C C    . TRP Fxp F 50  ? 10.962 33.751 45.152 1   55.536  ? 54  F 1 .
ATOM 6252 O O    . TRP Fxp F 50  ? 12.1   33.485 45.519 1   60.558  ? 54  F 1 .
ATOM 6253 C CB   . TRP Fxp F 50  ? 10.397 34.659 42.882 1   62.291  ? 54  F 1 .
ATOM 6254 C CG   . TRP Fxp F 50  ? 9.879  35.797 42.056 1   62.117  ? 54  F 1 .
ATOM 6255 C CD1  . TRP Fxp F 50  ? 10.57  36.83  41.5   1   71.775  ? 54  F 1 .
ATOM 6256 C CD2  . TRP Fxp F 50  ? 8.508  36.003 41.704 1   68.229  ? 54  F 1 .
ATOM 6257 N NE1  . TRP Fxp F 50  ? 9.723  37.662 40.82  1   75.61   ? 54  F 1 .
ATOM 6258 C CE2  . TRP Fxp F 50  ? 8.449  37.18  40.937 1   74.303  ? 54  F 1 .
ATOM 6259 C CE3  . TRP Fxp F 50  ? 7.334  35.315 41.983 1   79.686  ? 54  F 1 .
ATOM 6260 C CZ2  . TRP Fxp F 50  ? 7.249  37.676 40.44  1   84.945  ? 54  F 1 .
ATOM 6261 C CZ3  . TRP Fxp F 50  ? 6.146  35.807 41.496 1   84.534  ? 54  F 1 .
ATOM 6262 C CH2  . TRP Fxp F 50  ? 6.104  36.975 40.738 1   84.607  ? 54  F 1 .
ATOM 6263 H H    . TRP Fxp F 50  ? 12.395 35.98  43.903 1   61.631  ? 54  F 1 c
ATOM 6264 H HA   . TRP Fxp F 50  ? 9.788  35.401 44.715 1   60.629  ? 54  F 1 c
ATOM 6265 H HB3  . TRP Fxp F 50  ? 9.756  33.918 42.839 1   62.148  ? 54  F 1 c
ATOM 6266 H HB2  . TRP Fxp F 50  ? 11.245 34.349 42.499 1   62.234  ? 54  F 1 c
ATOM 6267 H HD1  . TRP Fxp F 50  ? 11.502 36.954 41.557 1   70.479  ? 54  F 1 c
ATOM 6268 H HE1  . TRP Fxp F 50  ? 9.958  38.384 40.39  1   74.307  ? 54  F 1 c
ATOM 6269 H HE3  . TRP Fxp F 50  ? 7.352  34.527 42.5   1   77.945  ? 54  F 1 c
ATOM 6270 H HZ2  . TRP Fxp F 50  ? 7.221  38.466 39.928 1   82.158  ? 54  F 1 c
ATOM 6271 H HZ3  . TRP Fxp F 50  ? 5.345  35.343 41.676 1   83.193  ? 54  F 1 c
ATOM 6272 H HH2  . TRP Fxp F 50  ? 5.278  37.281 40.409 1   84.466  ? 54  F 1 c
ATOM 6273 N N    . HIS Fxp F 51  ? 9.942  32.94  45.395 1   49.77   ? 55  F 1 .
ATOM 6274 C CA   . HIS Fxp F 51  ? 10.129 31.691 46.104 1   52.851  ? 55  F 1 .
ATOM 6275 C C    . HIS Fxp F 51  ? 9.122  30.679 45.585 1   53.999  ? 55  F 1 .
ATOM 6276 O O    . HIS Fxp F 51  ? 7.987  31.042 45.221 1   58.818  ? 55  F 1 .
ATOM 6277 C CB   . HIS Fxp F 51  ? 9.883  31.842 47.607 1   58.15   ? 55  F 1 .
ATOM 6278 C CG   . HIS Fxp F 51  ? 10.526 33.02  48.234 1   55.214  ? 55  F 1 .
ATOM 6279 N ND1  . HIS Fxp F 51  ? 10.03  34.301 48.099 1   55.78   ? 55  F 1 .
ATOM 6280 C CD2  . HIS Fxp F 51  ? 11.583 33.091 49.017 1   51.889  ? 55  F 1 .
ATOM 6281 C CE1  . HIS Fxp F 51  ? 10.798 35.132 48.78  1   56.76   ? 55  F 1 .
ATOM 6282 N NE2  . HIS Fxp F 51  ? 11.737 34.415 49.357 1   61.705  ? 55  F 1 .
ATOM 6283 H H    . HIS Fxp F 51  ? 9.103  33.17  45.114 1   51.927  ? 55  F 1 c
ATOM 6284 H HA   . HIS Fxp F 51  ? 11.041 31.345 45.94  1   53.376  ? 55  F 1 c
ATOM 6285 H HB3  . HIS Fxp F 51  ? 10.202 31.032 48.057 1   56.296  ? 55  F 1 c
ATOM 6286 H HB2  . HIS Fxp F 51  ? 8.914  31.895 47.761 1   56.224  ? 55  F 1 c
ATOM 6287 H HD1  . HIS Fxp F 51  ? 9.345  34.63  47.72  0   21.15   ? 55  F 1 c
ATOM 6288 H HD2  . HIS Fxp F 51  ? 12.112 32.377 49.305 1   54.902  ? 55  F 1 c
ATOM 6289 H HE1  . HIS Fxp F 51  ? 10.688 36.062 48.847 1   57.667  ? 55  F 1 c
ATOM 6290 H HE2  . HIS Fxp F 51  ? 12.504 34.765 49.839 0   20.18   ? 55  F 1 c
ATOM 6291 N N    . CYS Fxp F 52  ? 9.542  29.406 45.594 1   49.832  ? 56  F 1 .
ATOM 6292 C CA   . CYS Fxp F 52  ? 8.748  28.375 44.949 1   54.027  ? 56  F 1 .
ATOM 6293 C C    . CYS Fxp F 52  ? 8.699  27.101 45.79  1   56.593  ? 56  F 1 .
ATOM 6294 O O    . CYS Fxp F 52  ? 9.702  26.665 46.365 1   56.996  ? 56  F 1 .
ATOM 6295 C CB   . CYS Fxp F 52  ? 9.269  28.1   43.546 1   52.544  ? 56  F 1 .
ATOM 6296 S SG   . CYS Fxp F 52  ? 8.259  26.92  42.625 1   49.566  ? 56  F 1 .
ATOM 6297 H H    . CYS Fxp F 52  ? 10.325 29.178 46.008 1   51.775  ? 56  F 1 c
ATOM 6298 H HA   . CYS Fxp F 52  ? 7.826  28.718 44.859 1   53.475  ? 56  F 1 c
ATOM 6299 H HB3  . CYS Fxp F 52  ? 10.184 27.744 43.607 1   52.343  ? 56  F 1 c
ATOM 6300 H HB2  . CYS Fxp F 52  ? 9.306  28.942 43.043 1   52.469  ? 56  F 1 c
ATOM 6301 H HG   . CYS Fxp F 52  ? 8.973  26.908 41.592 0   46.69   ? 56  F 1 c
ATOM 6302 N N    . ILE Fxp F 53  ? 7.5    26.51  45.842 1   59.03   ? 57  F 1 .
ATOM 6303 C CA   . ILE Fxp F 53  ? 7.337  25.185 46.406 1   70.01   ? 57  F 1 .
ATOM 6304 C C    . ILE Fxp F 53  ? 6.579  24.337 45.396 1   67.302  ? 57  F 1 .
ATOM 6305 O O    . ILE Fxp F 53  ? 5.706  24.83  44.686 1   56.022  ? 57  F 1 .
ATOM 6306 C CB   . ILE Fxp F 53  ? 6.622  25.197 47.772 1   72.335  ? 57  F 1 .
ATOM 6307 C CG1  . ILE Fxp F 53  ? 7.207  26.237 48.694 1   65.824  ? 57  F 1 .
ATOM 6308 C CG2  . ILE Fxp F 53  ? 6.618  23.809 48.416 1   74.665  ? 57  F 1 .
ATOM 6309 C CD1  . ILE Fxp F 53  ? 6.476  27.556 48.573 1   72.759  ? 57  F 1 .
ATOM 6310 H H    . ILE Fxp F 53  ? 6.765  26.946 45.517 1   60.73   ? 57  F 1 c
ATOM 6311 H HA   . ILE Fxp F 53  ? 8.221  24.796 46.532 1   67.448  ? 57  F 1 c
ATOM 6312 H HB   . ILE Fxp F 53  ? 5.69   25.444 47.608 1   71.028  ? 57  F 1 c
ATOM 6313 H HG12 . ILE Fxp F 53  ? 8.152  26.369 48.477 1   68.656  ? 57  F 1 c
ATOM 6314 H HG13 . ILE Fxp F 53  ? 7.147  25.921 49.618 1   68.853  ? 57  F 1 c
ATOM 6315 H HG21 . ILE Fxp F 53  ? 6.19   23.856 49.287 1   73.886  ? 57  F 1 c
ATOM 6316 H HG22 . ILE Fxp F 53  ? 7.531  23.497 48.524 1   73.875  ? 57  F 1 c
ATOM 6317 H HG23 . ILE Fxp F 53  ? 6.129  23.187 47.853 1   73.799  ? 57  F 1 c
ATOM 6318 H HD11 . ILE Fxp F 53  ? 6.587  27.923 47.676 1   70.399  ? 57  F 1 c
ATOM 6319 H HD12 . ILE Fxp F 53  ? 6.837  28.186 49.226 1   70.559  ? 57  F 1 c
ATOM 6320 H HD13 . ILE Fxp F 53  ? 5.527  27.418 48.75  1   70.499  ? 57  F 1 c
ATOM 6321 N N    . VAL Fxp F 54  ? 6.922  23.047 45.379 1   64.847  ? 58  F 1 .
ATOM 6322 C CA   . VAL Fxp F 54  ? 6.372  22.122 44.411 1   64.134  ? 58  F 1 .
ATOM 6323 C C    . VAL Fxp F 54  ? 6.231  20.776 45.104 1   58.976  ? 58  F 1 .
ATOM 6324 O O    . VAL Fxp F 54  ? 7.226  20.171 45.457 1   55.254  ? 58  F 1 .
ATOM 6325 C CB   . VAL Fxp F 54  ? 7.257  22.043 43.15  1   57.144  ? 58  F 1 .
ATOM 6326 C CG1  . VAL Fxp F 54  ? 6.912  20.843 42.292 1   55.293  ? 58  F 1 .
ATOM 6327 C CG2  . VAL Fxp F 54  ? 7.189  23.323 42.327 1   53.772  ? 58  F 1 .
ATOM 6328 H H    . VAL Fxp F 54  ? 7.526  22.735 45.989 1   65.372  ? 58  F 1 c
ATOM 6329 H HA   . VAL Fxp F 54  ? 5.487  22.434 44.15  1   61.869  ? 58  F 1 c
ATOM 6330 H HB   . VAL Fxp F 54  ? 8.187  21.934 43.457 1   57.363  ? 58  F 1 c
ATOM 6331 H HG11 . VAL Fxp F 54  ? 5.95   20.709 42.294 1   56.104  ? 58  F 1 c
ATOM 6332 H HG12 . VAL Fxp F 54  ? 7.349  20.051 42.648 1   55.909  ? 58  F 1 c
ATOM 6333 H HG13 . VAL Fxp F 54  ? 7.215  20.995 41.381 1   55.881  ? 58  F 1 c
ATOM 6334 H HG21 . VAL Fxp F 54  ? 7.687  23.207 41.501 1   54.808  ? 58  F 1 c
ATOM 6335 H HG22 . VAL Fxp F 54  ? 7.574  24.055 42.835 1   54.828  ? 58  F 1 c
ATOM 6336 H HG23 . VAL Fxp F 54  ? 6.262  23.526 42.12  1   54.958  ? 58  F 1 c
ATOM 6337 N N    . GLY Fxp F 55  ? 4.986  20.308 45.242 1   61.444  ? 59  F 1 .
ATOM 6338 C CA   . GLY Fxp F 55  ? 4.684  19.219 46.157 1   66.993  ? 59  F 1 .
ATOM 6339 C C    . GLY Fxp F 55  ? 3.321  18.576 45.903 1   70.128  ? 59  F 1 .
ATOM 6340 O O    . GLY Fxp F 55  ? 2.486  19.118 45.179 1   55.376  ? 59  F 1 .
ATOM 6341 H H    . GLY Fxp F 55  ? 4.308  20.674 44.751 1   62.104  ? 59  F 1 c
ATOM 6342 H HA3  . GLY Fxp F 55  ? 4.711  19.565 47.079 1   66.312  ? 59  F 1 c
ATOM 6343 H HA2  . GLY Fxp F 55  ? 5.384  18.532 46.074 1   66.413  ? 59  F 1 c
ATOM 6344 N N    . ARG Fxp F 56  ? 3.119  17.403 46.519 1   78.143  ? 60  F 1 .
ATOM 6345 C CA   . ARG Fxp F 56  ? 1.84   16.714 46.498 1   84.382  ? 60  F 1 .
ATOM 6346 C C    . ARG Fxp F 56  ? 1.121  16.884 47.832 1   89.188  ? 60  F 1 .
ATOM 6347 O O    . ARG Fxp F 56  ? -0.083 17.123 47.884 1   92.012  ? 60  F 1 .
ATOM 6348 C CB   . ARG Fxp F 56  ? 2.054  15.217 46.293 1   98.444  ? 60  F 1 .
ATOM 6349 C CG   . ARG Fxp F 56  ? 2.781  14.881 45.005 1   124.56  ? 60  F 1 .
ATOM 6350 C CD   . ARG Fxp F 56  ? 2.584  13.421 44.605 1   141.32  ? 60  F 1 .
ATOM 6351 N NE   . ARG Fxp F 56  ? 3.472  13.088 43.484 1   130.532 ? 60  F 1 .
ATOM 6352 C CZ   . ARG Fxp F 56  ? 3.321  13.576 42.272 1   100.802 ? 60  F 1 .
ATOM 6353 N NH1  . ARG Fxp F 56  ? 2.182  14.185 41.971 1   92.395  ? 60  F 1 .
ATOM 6354 N NH2  . ARG Fxp F 56  ? 4.284  13.398 41.383 1   102.396 ? 60  F 1 .
ATOM 6355 H H    . ARG Fxp F 56  ? 3.816  17.015 46.966 1   77.465  ? 60  F 1 c
ATOM 6356 H HA   . ARG Fxp F 56  ? 1.28   17.084 45.769 1   86.01   ? 60  F 1 c
ATOM 6357 H HB3  . ARG Fxp F 56  ? 1.181  14.77  46.29  1   100.45  ? 60  F 1 c
ATOM 6358 H HB2  . ARG Fxp F 56  ? 2.569  14.863 47.049 1   100.285 ? 60  F 1 c
ATOM 6359 H HG3  . ARG Fxp F 56  ? 3.741  15.055 45.119 1   121.397 ? 60  F 1 c
ATOM 6360 H HG2  . ARG Fxp F 56  ? 2.449  15.46  44.286 1   121.17  ? 60  F 1 c
ATOM 6361 H HD3  . ARG Fxp F 56  ? 1.654  13.269 44.342 1   134.258 ? 60  F 1 c
ATOM 6362 H HD2  . ARG Fxp F 56  ? 2.788  12.839 45.365 1   134.722 ? 60  F 1 c
ATOM 6363 H HE   . ARG Fxp F 56  ? 4.133  12.539 43.629 1   124.808 ? 60  F 1 c
ATOM 6364 H HH11 . ARG Fxp F 56  ? 1.435  13.717 41.998 1   95.427  ? 60  F 1 c
ATOM 6365 H HH12 . ARG Fxp F 56  ? 2.174  15.041 41.757 1   94.794  ? 60  F 1 c
ATOM 6366 H HH21 . ARG Fxp F 56  ? 5.129  13.484 41.628 1   101.903 ? 60  F 1 c
ATOM 6367 H HH22 . ARG Fxp F 56  ? 4.078  13.195 40.548 1   101.903 ? 60  F 1 c
ATOM 6368 N N    . ASN Fxp F 57  ? 1.869  16.706 48.921 1   102.048 ? 61  F 1 .
ATOM 6369 C CA   . ASN Fxp F 57  ? 1.338  16.921 50.253 1   94.032  ? 61  F 1 .
ATOM 6370 C C    . ASN Fxp F 57  ? 2.086  18.076 50.904 1   82.958  ? 61  F 1 .
ATOM 6371 O O    . ASN Fxp F 57  ? 3.236  17.911 51.3   1   80.029  ? 61  F 1 .
ATOM 6372 C CB   . ASN Fxp F 57  ? 1.447  15.678 51.124 1   89.806  ? 61  F 1 .
ATOM 6373 C CG   . ASN Fxp F 57  ? 0.75   15.897 52.44  1   94.857  ? 61  F 1 .
ATOM 6374 O OD1  . ASN Fxp F 57  ? 1.376  15.843 53.509 1   82.719  ? 61  F 1 .
ATOM 6375 N ND2  . ASN Fxp F 57  ? -0.544 16.178 52.362 1   111.103 ? 61  F 1 .
ATOM 6376 H H    . ASN Fxp F 57  ? 2.736  16.431 48.834 1   96.63   ? 61  F 1 c
ATOM 6377 H HA   . ASN Fxp F 57  ? 0.387  17.155 50.181 1   92.46   ? 61  F 1 c
ATOM 6378 H HB3  . ASN Fxp F 57  ? 2.388  15.469 51.284 1   91.74   ? 61  F 1 c
ATOM 6379 H HB2  . ASN Fxp F 57  ? 1.038  14.919 50.662 1   91.865  ? 61  F 1 c
ATOM 6380 H HD21 . ASN Fxp F 57  ? -0.889 16.819 52.868 1   105.794 ? 61  F 1 c
ATOM 6381 H HD22 . ASN Fxp F 57  ? -1.062 15.723 51.803 1   105.704 ? 61  F 1 c
ATOM 6382 N N    . PHE Fxp F 58  ? 1.422  19.229 50.998 1   71.635  ? 62  F 1 .
ATOM 6383 C CA   . PHE Fxp F 58  ? 1.921  20.31  51.816 1   66.623  ? 62  F 1 .
ATOM 6384 C C    . PHE Fxp F 58  ? 0.87   21.397 51.916 1   61.859  ? 62  F 1 .
ATOM 6385 O O    . PHE Fxp F 58  ? 0.056  21.571 51.017 1   67.306  ? 62  F 1 .
ATOM 6386 C CB   . PHE Fxp F 58  ? 3.214  20.912 51.264 1   65.718  ? 62  F 1 .
ATOM 6387 C CG   . PHE Fxp F 58  ? 3.015  21.752 50.021 1   65.915  ? 62  F 1 .
ATOM 6388 C CD1  . PHE Fxp F 58  ? 2.966  21.168 48.77  1   68.954  ? 62  F 1 .
ATOM 6389 C CD2  . PHE Fxp F 58  ? 2.871  23.133 50.117 1   73.507  ? 62  F 1 .
ATOM 6390 C CE1  . PHE Fxp F 58  ? 2.776  21.965 47.644 1   77.135  ? 62  F 1 .
ATOM 6391 C CE2  . PHE Fxp F 58  ? 2.671  23.919 48.991 1   69.538  ? 62  F 1 .
ATOM 6392 C CZ   . PHE Fxp F 58  ? 2.62   23.335 47.758 1   69.029  ? 62  F 1 .
ATOM 6393 H H    . PHE Fxp F 58  ? 0.641  19.343 50.538 1   73.34   ? 62  F 1 c
ATOM 6394 H HA   . PHE Fxp F 58  ? 2.096  19.958 52.723 1   66.482  ? 62  F 1 c
ATOM 6395 H HB3  . PHE Fxp F 58  ? 3.841  20.186 51.061 1   65.943  ? 62  F 1 c
ATOM 6396 H HB2  . PHE Fxp F 58  ? 3.621  21.471 51.963 1   66.001  ? 62  F 1 c
ATOM 6397 H HD1  . PHE Fxp F 58  ? 3.063  20.233 48.681 1   70.001  ? 62  F 1 c
ATOM 6398 H HD2  . PHE Fxp F 58  ? 2.896  23.541 50.968 1   70.727  ? 62  F 1 c
ATOM 6399 H HE1  . PHE Fxp F 58  ? 2.74   21.561 46.791 1   73.124  ? 62  F 1 c
ATOM 6400 H HE2  . PHE Fxp F 58  ? 2.575  24.854 49.078 1   70.321  ? 62  F 1 c
ATOM 6401 H HZ   . PHE Fxp F 58  ? 2.497  23.864 46.986 1   70.931  ? 62  F 1 c
ATOM 6402 N N    . GLY Fxp F 59  ? 0.946  22.155 53.005 1   61.401  ? 63  F 1 .
ATOM 6403 C CA   . GLY Fxp F 59  ? 0.19   23.389 53.117 1   63.982  ? 63  F 1 .
ATOM 6404 C C    . GLY Fxp F 59  ? 1.093  24.549 53.509 1   53.988  ? 63  F 1 .
ATOM 6405 O O    . GLY Fxp F 59  ? 2.211  24.317 53.967 1   49.995  ? 63  F 1 .
ATOM 6406 H H    . GLY Fxp F 59  ? 1.48   21.899 53.701 1   62.054  ? 63  F 1 c
ATOM 6407 H HA3  . GLY Fxp F 59  ? -0.517 23.276 53.795 1   61.032  ? 63  F 1 c
ATOM 6408 H HA2  . GLY Fxp F 59  ? -0.241 23.585 52.256 1   61.173  ? 63  F 1 c
ATOM 6409 N N    . SER Fxp F 60  ? 0.562  25.767 53.363 1   50.917  ? 64  F 1 .
ATOM 6410 C CA   . SER Fxp F 60  ? 1.36   26.974 53.46  1   58.558  ? 64  F 1 .
ATOM 6411 C C    . SER Fxp F 60  ? 0.55   28.112 54.065 1   58.898  ? 64  F 1 .
ATOM 6412 O O    . SER Fxp F 60  ? -0.604 28.353 53.714 1   63.231  ? 64  F 1 .
ATOM 6413 C CB   . SER Fxp F 60  ? 1.881  27.395 52.11  1   69.346  ? 64  F 1 .
ATOM 6414 O OG   . SER Fxp F 60  ? 0.805  27.624 51.204 1   79.645  ? 64  F 1 .
ATOM 6415 H H    . SER Fxp F 60  ? -0.333 25.845 53.195 1   53.393  ? 64  F 1 c
ATOM 6416 H HA   . SER Fxp F 60  ? 2.132  26.79  54.051 1   58.691  ? 64  F 1 c
ATOM 6417 H HB3  . SER Fxp F 60  ? 2.463  26.696 51.755 1   68.96   ? 64  F 1 c
ATOM 6418 H HB2  . SER Fxp F 60  ? 2.406  28.212 52.205 1   68.914  ? 64  F 1 c
ATOM 6419 H HG   . SER Fxp F 60  ? 1.138  27.693 50.458 0   67.35   ? 64  F 1 c
ATOM 6420 N N    . TYR Fxp F 61  ? 1.209  28.829 54.965 1   55.067  ? 65  F 1 .
ATOM 6421 C CA   . TYR Fxp F 61  ? 0.85   30.189 55.255 1   59.315  ? 65  F 1 .
ATOM 6422 C C    . TYR Fxp F 61  ? 2.047  31.039 54.869 1   71.485  ? 65  F 1 .
ATOM 6423 O O    . TYR Fxp F 61  ? 3.12   30.878 55.458 1   75.816  ? 65  F 1 .
ATOM 6424 C CB   . TYR Fxp F 61  ? 0.548  30.293 56.744 1   72.969  ? 65  F 1 .
ATOM 6425 C CG   . TYR Fxp F 61  ? -0.366 31.445 57.135 1   72.495  ? 65  F 1 .
ATOM 6426 C CD1  . TYR Fxp F 61  ? -1.614 31.603 56.551 1   72.955  ? 65  F 1 .
ATOM 6427 C CD2  . TYR Fxp F 61  ? 0.039  32.365 58.084 1   59.506  ? 65  F 1 .
ATOM 6428 C CE1  . TYR Fxp F 61  ? -2.443 32.644 56.921 1   73.565  ? 65  F 1 .
ATOM 6429 C CE2  . TYR Fxp F 61  ? -0.765 33.418 58.445 1   63.677  ? 65  F 1 .
ATOM 6430 C CZ   . TYR Fxp F 61  ? -2.016 33.543 57.881 1   76.598  ? 65  F 1 .
ATOM 6431 O OH   . TYR Fxp F 61  ? -2.78  34.59  58.293 1   99.232  ? 65  F 1 .
ATOM 6432 H H    . TYR Fxp F 61  ? 1.908  28.452 55.419 1   57.204  ? 65  F 1 c
ATOM 6433 H HA   . TYR Fxp F 61  ? 0.056  30.452 54.725 1   62.998  ? 65  F 1 c
ATOM 6434 H HB3  . TYR Fxp F 61  ? 1.397  30.383 57.23  1   69.41   ? 65  F 1 c
ATOM 6435 H HB2  . TYR Fxp F 61  ? 0.131  29.451 57.033 1   69.368  ? 65  F 1 c
ATOM 6436 H HD1  . TYR Fxp F 61  ? -1.91  30.979 55.907 1   72.947  ? 65  F 1 c
ATOM 6437 H HD2  . TYR Fxp F 61  ? 0.885  32.271 58.486 1   63.577  ? 65  F 1 c
ATOM 6438 H HE1  . TYR Fxp F 61  ? -3.294 32.738 56.528 1   74.091  ? 65  F 1 c
ATOM 6439 H HE2  . TYR Fxp F 61  ? -0.483 34.026 59.107 1   65.923  ? 65  F 1 c
ATOM 6440 H HH   . TYR Fxp F 61  ? -3.79  34.306 57.564 0   99.13   ? 65  F 1 c
ATOM 6441 N N    . VAL Fxp F 62  ? 1.837  31.919 53.877 1   73.803  ? 66  F 1 .
ATOM 6442 C CA   . VAL Fxp F 62  ? 2.875  32.761 53.308 1   64.139  ? 66  F 1 .
ATOM 6443 C C    . VAL Fxp F 62  ? 2.341  34.17  53.164 1   70.212  ? 66  F 1 .
ATOM 6444 O O    . VAL Fxp F 62  ? 1.135  34.372 53.084 1   85.09   ? 66  F 1 .
ATOM 6445 C CB   . VAL Fxp F 62  ? 3.224  32.209 51.924 1   69.273  ? 66  F 1 .
ATOM 6446 C CG1  . VAL Fxp F 62  ? 4.135  30.992 52.022 1   75.055  ? 66  F 1 .
ATOM 6447 C CG2  . VAL Fxp F 62  ? 1.959  31.89  51.135 1   69.535  ? 66  F 1 .
ATOM 6448 H H    . VAL Fxp F 62  ? 0.988  32.005 53.551 1   70.749  ? 66  F 1 c
ATOM 6449 H HA   . VAL Fxp F 62  ? 3.665  32.756 53.882 1   68.076  ? 66  F 1 c
ATOM 6450 H HB   . VAL Fxp F 62  ? 3.714  32.915 51.441 1   69.367  ? 66  F 1 c
ATOM 6451 H HG11 . VAL Fxp F 62  ? 3.942  30.505 52.841 1   73.207  ? 66  F 1 c
ATOM 6452 H HG12 . VAL Fxp F 62  ? 5.062  31.282 52.03  1   73.227  ? 66  F 1 c
ATOM 6453 H HG13 . VAL Fxp F 62  ? 3.985  30.411 51.258 1   73.182  ? 66  F 1 c
ATOM 6454 H HG21 . VAL Fxp F 62  ? 2.175  31.825 50.189 1   69.417  ? 66  F 1 c
ATOM 6455 H HG22 . VAL Fxp F 62  ? 1.302  32.592 51.266 1   69.535  ? 66  F 1 c
ATOM 6456 H HG23 . VAL Fxp F 62  ? 1.591  31.043 51.438 1   69.494  ? 66  F 1 c
ATOM 6457 N N    . THR Fxp F 63  ? 3.259  35.132 53.072 1   82.291  ? 67  F 1 .
ATOM 6458 C CA   . THR Fxp F 63  ? 2.928  36.532 52.83  1   76.894  ? 67  F 1 .
ATOM 6459 C C    . THR Fxp F 63  ? 3.628  37.028 51.563 1   74.388  ? 67  F 1 .
ATOM 6460 O O    . THR Fxp F 63  ? 4.853  36.922 51.443 1   73.381  ? 67  F 1 .
ATOM 6461 C CB   . THR Fxp F 63  ? 3.377  37.341 54.042 1   71.007  ? 67  F 1 .
ATOM 6462 O OG1  . THR Fxp F 63  ? 2.387  37.125 55.048 1   63.913  ? 67  F 1 .
ATOM 6463 C CG2  . THR Fxp F 63  ? 3.597  38.799 53.677 1   72.943  ? 67  F 1 .
ATOM 6464 H H    . THR Fxp F 63  ? 4.138  34.908 53.173 1   77.629  ? 67  F 1 c
ATOM 6465 H HA   . THR Fxp F 63  ? 1.959  36.622 52.724 1   76.145  ? 67  F 1 c
ATOM 6466 H HB   . THR Fxp F 63  ? 4.237  36.978 54.363 1   71.039  ? 67  F 1 c
ATOM 6467 H HG1  . THR Fxp F 63  ? 1.725  37.611 54.738 0   57.87   ? 67  F 1 c
ATOM 6468 H HG21 . THR Fxp F 63  ? 3.569  39.341 54.483 1   72.378  ? 67  F 1 c
ATOM 6469 H HG22 . THR Fxp F 63  ? 2.899  39.093 53.068 1   72.407  ? 67  F 1 c
ATOM 6470 H HG23 . THR Fxp F 63  ? 4.465  38.902 53.251 1   72.391  ? 67  F 1 c
ATOM 6471 N N    . HIS Fxp F 64  ? 2.86   37.604 50.632 1   68.216  ? 68  F 1 .
ATOM 6472 C CA   . HIS Fxp F 64  ? 3.441  38.039 49.368 1   74.602  ? 68  F 1 .
ATOM 6473 C C    . HIS Fxp F 64  ? 3.094  39.494 49.141 1   80.372  ? 68  F 1 .
ATOM 6474 O O    . HIS Fxp F 64  ? 2.386  40.07  49.96  1   122.626 ? 68  F 1 .
ATOM 6475 C CB   . HIS Fxp F 64  ? 2.93   37.22  48.184 1   69.947  ? 68  F 1 .
ATOM 6476 C CG   . HIS Fxp F 64  ? 1.498  37.421 47.945 1   63.855  ? 68  F 1 .
ATOM 6477 N ND1  . HIS Fxp F 64  ? 1.024  38.296 47     1   66.719  ? 68  F 1 .
ATOM 6478 C CD2  . HIS Fxp F 64  ? 0.451  36.847 48.51  1   66.124  ? 68  F 1 .
ATOM 6479 C CE1  . HIS Fxp F 64  ? -0.289 38.251 47.021 1   82.151  ? 68  F 1 .
ATOM 6480 N NE2  . HIS Fxp F 64  ? -0.652 37.372 47.932 1   79.407  ? 68  F 1 .
ATOM 6481 H H    . HIS Fxp F 64  ? 1.968  37.734 50.784 1   71.064  ? 68  F 1 c
ATOM 6482 H HA   . HIS Fxp F 64  ? 4.425  37.958 49.415 1   73.475  ? 68  F 1 c
ATOM 6483 H HB3  . HIS Fxp F 64  ? 3.094  36.269 48.363 1   69.492  ? 68  F 1 c
ATOM 6484 H HB2  . HIS Fxp F 64  ? 3.431  37.473 47.379 1   69.545  ? 68  F 1 c
ATOM 6485 H HD1  . HIS Fxp F 64  ? 1.459  38.787 46.418 0   64.02   ? 68  F 1 c
ATOM 6486 H HD2  . HIS Fxp F 64  ? 0.465  36.204 49.191 1   68.375  ? 68  F 1 c
ATOM 6487 H HE1  . HIS Fxp F 64  ? -0.866 38.752 46.476 1   77.432  ? 68  F 1 c
ATOM 6488 H HE2  . HIS Fxp F 64  ? -1.578 37.19  48.066 0   37.61   ? 68  F 1 c
ATOM 6489 N N    . GLU Fxp F 65  ? 3.601  40.07  48.045 1   75.505  ? 69  F 1 .
ATOM 6490 C CA   . GLU Fxp F 65  ? 3.258  41.44  47.715 1   83.203  ? 69  F 1 .
ATOM 6491 C C    . GLU Fxp F 65  ? 2.431  41.445 46.443 1   87.543  ? 69  F 1 .
ATOM 6492 O O    . GLU Fxp F 65  ? 2.423  40.485 45.684 1   88.01   ? 69  F 1 .
ATOM 6493 C CB   . GLU Fxp F 65  ? 4.473  42.357 47.623 1   88.46   ? 69  F 1 .
ATOM 6494 C CG   . GLU Fxp F 65  ? 5.305  42.15  46.371 1   97.902  ? 69  F 1 .
ATOM 6495 C CD   . GLU Fxp F 65  ? 6.592  42.94  46.439 1   106.836 ? 69  F 1 .
ATOM 6496 O OE1  . GLU Fxp F 65  ? 7.284  42.726 47.478 1   93.754  ? 69  F 1 .
ATOM 6497 O OE2  . GLU Fxp F 65  ? 6.895  43.698 45.458 1   102.37  ? 69  F 1 .
ATOM 6498 H H    . GLU Fxp F 65  ? 4.174  39.609 47.502 1   78.179  ? 69  F 1 c
ATOM 6499 H HA   . GLU Fxp F 65  ? 2.687  41.795 48.441 1   83.524  ? 69  F 1 c
ATOM 6500 H HB3  . GLU Fxp F 65  ? 5.034  42.209 48.412 1   89.358  ? 69  F 1 c
ATOM 6501 H HB2  . GLU Fxp F 65  ? 4.168  43.287 47.645 1   89.159  ? 69  F 1 c
ATOM 6502 H HG3  . GLU Fxp F 65  ? 4.795  42.44  45.584 1   97.589  ? 69  F 1 c
ATOM 6503 H HG2  . GLU Fxp F 65  ? 5.518  41.198 46.271 1   97.606  ? 69  F 1 c
ATOM 6504 N N    . THR Fxp F 66  ? 1.778  42.581 46.212 1   89.362  ? 70  F 1 .
ATOM 6505 C CA   . THR Fxp F 66  ? 0.565  42.596 45.424 1   92.125  ? 70  F 1 .
ATOM 6506 C C    . THR Fxp F 66  ? 0.819  42.142 43.99  1   86.668  ? 70  F 1 .
ATOM 6507 O O    . THR Fxp F 66  ? 1.882  42.397 43.428 1   74.98   ? 70  F 1 .
ATOM 6508 C CB   . THR Fxp F 66  ? -0.01  43.999 45.515 1   96.634  ? 70  F 1 .
ATOM 6509 O OG1  . THR Fxp F 66  ? 0.221  44.302 46.893 1   93.718  ? 70  F 1 .
ATOM 6510 C CG2  . THR Fxp F 66  ? -1.469 44.019 45.095 1   98.954  ? 70  F 1 .
ATOM 6511 H H    . THR Fxp F 66  ? 2.098  43.367 46.553 1   89.536  ? 70  F 1 c
ATOM 6512 H HA   . THR Fxp F 66  ? -0.072 41.975 45.84  1   91.417  ? 70  F 1 c
ATOM 6513 H HB   . THR Fxp F 66  ? 0.51   44.617 44.947 1   95.639  ? 70  F 1 c
ATOM 6514 H HG1  . THR Fxp F 66  ? -0.261 44.202 47.13  0   175.1   ? 70  F 1 c
ATOM 6515 H HG21 . THR Fxp F 66  ? -1.869 44.867 45.353 1   98.271  ? 70  F 1 c
ATOM 6516 H HG22 . THR Fxp F 66  ? -1.944 43.292 45.532 1   98.232  ? 70  F 1 c
ATOM 6517 H HG23 . THR Fxp F 66  ? -1.53  43.913 44.132 1   98.339  ? 70  F 1 c
ATOM 6518 N N    . ARG Fxp F 67  ? -0.186 41.436 43.442 1   90.794  ? 71  F 1 .
ATOM 6519 C CA   . ARG Fxp F 67  ? -0.166 40.917 42.08  1   93.686  ? 71  F 1 .
ATOM 6520 C C    . ARG Fxp F 67  ? 1.111  40.108 41.828 1   85.856  ? 71  F 1 .
ATOM 6521 O O    . ARG Fxp F 67  ? 1.675  40.153 40.732 1   73.893  ? 71  F 1 .
ATOM 6522 C CB   . ARG Fxp F 67  ? -0.421 42.055 41.078 1   101.392 ? 71  F 1 .
ATOM 6523 C CG   . ARG Fxp F 67  ? -1.853 42.171 40.566 1   101.434 ? 71  F 1 .
ATOM 6524 C CD   . ARG Fxp F 67  ? -2.716 42.959 41.535 1   117.243 ? 71  F 1 .
ATOM 6525 N NE   . ARG Fxp F 67  ? -4.114 42.508 41.608 1   134.026 ? 71  F 1 .
ATOM 6526 C CZ   . ARG Fxp F 67  ? -5.07  42.979 42.439 1   148.716 ? 71  F 1 .
ATOM 6527 N NH1  . ARG Fxp F 67  ? -4.799 43.862 43.386 1   152.373 ? 71  F 1 .
ATOM 6528 N NH2  . ARG Fxp F 67  ? -6.316 42.546 42.342 1   149.32  ? 71  F 1 .
ATOM 6529 H H    . ARG Fxp F 67  ? -0.929 41.278 43.95  1   90.472  ? 71  F 1 c
ATOM 6530 H HA   . ARG Fxp F 67  ? -0.924 40.299 41.989 1   93.133  ? 71  F 1 c
ATOM 6531 H HB3  . ARG Fxp F 67  ? 0.171  41.931 40.307 1   99.339  ? 71  F 1 c
ATOM 6532 H HB2  . ARG Fxp F 67  ? -0.174 42.904 41.503 1   99.626  ? 71  F 1 c
ATOM 6533 H HG3  . ARG Fxp F 67  ? -2.233 41.274 40.446 1   104.919 ? 71  F 1 c
ATOM 6534 H HG2  . ARG Fxp F 67  ? -1.851 42.624 39.694 1   104.853 ? 71  F 1 c
ATOM 6535 H HD3  . ARG Fxp F 67  ? -2.699 43.901 41.273 1   117.008 ? 71  F 1 c
ATOM 6536 H HD2  . ARG Fxp F 67  ? -2.319 42.894 42.426 1   116.7   ? 71  F 1 c
ATOM 6537 H HE   . ARG Fxp F 67  ? -4.357 41.875 41.061 1   132.791 ? 71  F 1 c
ATOM 6538 H HH11 . ARG Fxp F 67  ? -4.153 43.699 43.966 1   151.238 ? 71  F 1 c
ATOM 6539 H HH12 . ARG Fxp F 67  ? -5.265 44.612 43.433 1   151.238 ? 71  F 1 c
ATOM 6540 H HH21 . ARG Fxp F 67  ? -6.473 41.683 42.236 1   149.134 ? 71  F 1 c
ATOM 6541 H HH22 . ARG Fxp F 67  ? -6.985 43.122 42.384 1   149.134 ? 71  F 1 c
ATOM 6542 N N    . HIS Fxp F 68  ? 1.538  39.332 42.837 1   80.02   ? 72  F 1 .
ATOM 6543 C CA   . HIS Fxp F 68  ? 2.736  38.516 42.717 1   83.406  ? 72  F 1 .
ATOM 6544 C C    . HIS Fxp F 68  ? 2.582  37.147 43.4   1   82.081  ? 72  F 1 .
ATOM 6545 O O    . HIS Fxp F 68  ? 3.528  36.637 44.002 1   85.973  ? 72  F 1 .
ATOM 6546 C CB   . HIS Fxp F 68  ? 3.939  39.318 43.225 1   81.339  ? 72  F 1 .
ATOM 6547 C CG   . HIS Fxp F 68  ? 4.502  40.309 42.259 1   87.33   ? 72  F 1 .
ATOM 6548 N ND1  . HIS Fxp F 68  ? 4.765  41.602 42.659 1   99.559  ? 72  F 1 .
ATOM 6549 C CD2  . HIS Fxp F 68  ? 4.878  40.236 40.962 1   87.177  ? 72  F 1 .
ATOM 6550 C CE1  . HIS Fxp F 68  ? 5.297  42.276 41.64  1   99.21   ? 72  F 1 .
ATOM 6551 N NE2  . HIS Fxp F 68  ? 5.37   41.466 40.594 1   91.702  ? 72  F 1 .
ATOM 6552 H H    . HIS Fxp F 68  ? 1.063  39.303 43.617 1   82.289  ? 72  F 1 c
ATOM 6553 H HA   . HIS Fxp F 68  ? 2.88   38.35  41.753 1   82.128  ? 72  F 1 c
ATOM 6554 H HB3  . HIS Fxp F 68  ? 4.646  38.689 43.471 1   83.042  ? 72  F 1 c
ATOM 6555 H HB2  . HIS Fxp F 68  ? 3.677  39.79  44.041 1   83.244  ? 72  F 1 c
ATOM 6556 H HD1  . HIS Fxp F 68  ? 4.392  41.95  43.388 0   287.99  ? 72  F 1 c
ATOM 6557 H HD2  . HIS Fxp F 68  ? 4.828  39.483 40.406 1   88.25   ? 72  F 1 c
ATOM 6558 H HE1  . HIS Fxp F 68  ? 5.552  43.182 41.656 1   97.33   ? 72  F 1 c
ATOM 6559 H HE2  . HIS Fxp F 68  ? 5.603  41.677 39.789 0   68.78   ? 72  F 1 c
ATOM 6560 N N    . PHE Fxp F 69  ? 1.417  36.502 43.251 1   78.924  ? 73  F 1 .
ATOM 6561 C CA   . PHE Fxp F 69  ? 1.128  35.252 43.945 1   71.738  ? 73  F 1 .
ATOM 6562 C C    . PHE Fxp F 69  ? 0.304  34.308 43.071 1   66.401  ? 73  F 1 .
ATOM 6563 O O    . PHE Fxp F 69  ? -0.604 34.736 42.358 1   65.772  ? 73  F 1 .
ATOM 6564 C CB   . PHE Fxp F 69  ? 0.355  35.547 45.231 1   68.484  ? 73  F 1 .
ATOM 6565 C CG   . PHE Fxp F 69  ? -0.095 34.287 45.941 1   63.52   ? 73  F 1 .
ATOM 6566 C CD1  . PHE Fxp F 69  ? -1.15  33.55  45.455 1   61.919  ? 73  F 1 .
ATOM 6567 C CD2  . PHE Fxp F 69  ? 0.552  33.835 47.083 1   65.819  ? 73  F 1 .
ATOM 6568 C CE1  . PHE Fxp F 69  ? -1.537 32.396 46.103 1   67.17   ? 73  F 1 .
ATOM 6569 C CE2  . PHE Fxp F 69  ? 0.148  32.687 47.735 1   57.269  ? 73  F 1 .
ATOM 6570 C CZ   . PHE Fxp F 69  ? -0.893 31.974 47.247 1   61.107  ? 73  F 1 .
ATOM 6571 H H    . PHE Fxp F 69  ? 0.781  36.852 42.695 1   77.941  ? 73  F 1 c
ATOM 6572 H HA   . PHE Fxp F 69  ? 1.985  34.807 44.181 1   71.444  ? 73  F 1 c
ATOM 6573 H HB3  . PHE Fxp F 69  ? -0.431 36.093 45.01  1   68.126  ? 73  F 1 c
ATOM 6574 H HB2  . PHE Fxp F 69  ? 0.935  36.061 45.829 1   68.026  ? 73  F 1 c
ATOM 6575 H HD1  . PHE Fxp F 69  ? -1.606 33.832 44.679 1   63.512  ? 73  F 1 c
ATOM 6576 H HD2  . PHE Fxp F 69  ? 1.277  34.331 47.428 1   63.243  ? 73  F 1 c
ATOM 6577 H HE1  . PHE Fxp F 69  ? -2.268 31.901 45.77  1   64.403  ? 73  F 1 c
ATOM 6578 H HE2  . PHE Fxp F 69  ? 0.6    32.398 48.512 1   60.232  ? 73  F 1 c
ATOM 6579 H HZ   . PHE Fxp F 69  ? -1.172 31.184 47.683 1   61.562  ? 73  F 1 c
ATOM 6580 N N    . ILE Fxp F 70  ? 0.616  33.012 43.156 1   60.471  ? 74  F 1 .
ATOM 6581 C CA   . ILE Fxp F 70  ? -0.039 32.028 42.314 1   62.342  ? 74  F 1 .
ATOM 6582 C C    . ILE Fxp F 70  ? 0.128  30.651 42.929 1   59.421  ? 74  F 1 .
ATOM 6583 O O    . ILE Fxp F 70  ? 1.195  30.291 43.418 1   51.207  ? 74  F 1 .
ATOM 6584 C CB   . ILE Fxp F 70  ? 0.51   32     40.883 1   74.361  ? 74  F 1 .
ATOM 6585 C CG1  . ILE Fxp F 70  ? -0.373 31.137 39.988 1   74.717  ? 74  F 1 .
ATOM 6586 C CG2  . ILE Fxp F 70  ? 1.976  31.536 40.863 1   88.939  ? 74  F 1 .
ATOM 6587 C CD1  . ILE Fxp F 70  ? 0.219  30.902 38.611 1   85.916  ? 74  F 1 .
ATOM 6588 H H    . ILE Fxp F 70  ? 1.25   32.734 43.753 1   62.374  ? 74  F 1 c
ATOM 6589 H HA   . ILE Fxp F 70  ? -0.992 32.24  42.276 1   63.459  ? 74  F 1 c
ATOM 6590 H HB   . ILE Fxp F 70  ? 0.48   32.914 40.535 1   74.411  ? 74  F 1 c
ATOM 6591 H HG12 . ILE Fxp F 70  ? -1.245 31.571 39.889 1   77.004  ? 74  F 1 c
ATOM 6592 H HG13 . ILE Fxp F 70  ? -0.515 30.27  40.417 1   76.753  ? 74  F 1 c
ATOM 6593 H HG21 . ILE Fxp F 70  ? 2.417  31.883 40.07  1   84.134  ? 74  F 1 c
ATOM 6594 H HG22 . ILE Fxp F 70  ? 2.012  30.564 40.852 1   83.851  ? 74  F 1 c
ATOM 6595 H HG23 . ILE Fxp F 70  ? 2.432  31.865 41.653 1   83.519  ? 74  F 1 c
ATOM 6596 H HD11 . ILE Fxp F 70  ? 0.648  31.721 38.297 1   82.477  ? 74  F 1 c
ATOM 6597 H HD12 . ILE Fxp F 70  ? -0.491 30.651 37.991 1   82.455  ? 74  F 1 c
ATOM 6598 H HD13 . ILE Fxp F 70  ? 0.88   30.187 38.653 1   82.483  ? 74  F 1 c
ATOM 6599 N N    . TYR Fxp F 71  ? -0.938 29.866 42.808 1   62.54   ? 75  F 1 .
ATOM 6600 C CA   . TYR Fxp F 71  ? -0.983 28.537 43.376 1   63.959  ? 75  F 1 .
ATOM 6601 C C    . TYR Fxp F 71  ? -1.87  27.693 42.483 1   61.95   ? 75  F 1 .
ATOM 6602 O O    . TYR Fxp F 71  ? -3.082 27.835 42.535 1   67.261  ? 75  F 1 .
ATOM 6603 C CB   . TYR Fxp F 71  ? -1.484 28.539 44.82  1   59.866  ? 75  F 1 .
ATOM 6604 C CG   . TYR Fxp F 71  ? -1.741 27.162 45.415 1   68.246  ? 75  F 1 .
ATOM 6605 C CD1  . TYR Fxp F 71  ? -2.997 26.589 45.34  1   82.677  ? 75  F 1 .
ATOM 6606 C CD2  . TYR Fxp F 71  ? -0.751 26.434 46.075 1   81.05   ? 75  F 1 .
ATOM 6607 C CE1  . TYR Fxp F 71  ? -3.255 25.341 45.888 1   84.994  ? 75  F 1 .
ATOM 6608 C CE2  . TYR Fxp F 71  ? -1.004 25.186 46.639 1   77.128  ? 75  F 1 .
ATOM 6609 C CZ   . TYR Fxp F 71  ? -2.27  24.641 46.547 1   72.65   ? 75  F 1 .
ATOM 6610 O OH   . TYR Fxp F 71  ? -2.645 23.441 47.064 1   74.835  ? 75  F 1 .
ATOM 6611 H H    . TYR Fxp F 71  ? -1.673 30.175 42.361 1   62.279  ? 75  F 1 c
ATOM 6612 H HA   . TYR Fxp F 71  ? -0.068 28.16  43.363 1   62.576  ? 75  F 1 c
ATOM 6613 H HB3  . TYR Fxp F 71  ? -2.318 29.058 44.857 1   62.619  ? 75  F 1 c
ATOM 6614 H HB2  . TYR Fxp F 71  ? -0.821 29.004 45.376 1   62.619  ? 75  F 1 c
ATOM 6615 H HD1  . TYR Fxp F 71  ? -3.689 27.055 44.904 1   79.828  ? 75  F 1 c
ATOM 6616 H HD2  . TYR Fxp F 71  ? 0.113  26.805 46.154 1   76.75   ? 75  F 1 c
ATOM 6617 H HE1  . TYR Fxp F 71  ? -4.107 24.974 45.823 1   82.444  ? 75  F 1 c
ATOM 6618 H HE2  . TYR Fxp F 71  ? -0.319 24.718 47.084 1   76.912  ? 75  F 1 c
ATOM 6619 H HH   . TYR Fxp F 71  ? -3.309 23.259 46.913 0   90.42   ? 75  F 1 c
ATOM 6620 N N    . PHE Fxp F 72  ? -1.248 26.783 41.731 1   63.116  ? 76  F 1 .
ATOM 6621 C CA   . PHE Fxp F 72  ? -1.971 25.952 40.796 1   69.619  ? 76  F 1 .
ATOM 6622 C C    . PHE Fxp F 72  ? -1.451 24.523 40.824 1   72.119  ? 76  F 1 .
ATOM 6623 O O    . PHE Fxp F 72  ? -0.407 24.233 41.407 1   66.685  ? 76  F 1 .
ATOM 6624 C CB   . PHE Fxp F 72  ? -1.836 26.536 39.398 1   78.381  ? 76  F 1 .
ATOM 6625 C CG   . PHE Fxp F 72  ? -0.403 26.726 38.935 1   80.315  ? 76  F 1 .
ATOM 6626 C CD1  . PHE Fxp F 72  ? 0.489  27.5   39.663 1   77.702  ? 76  F 1 .
ATOM 6627 C CD2  . PHE Fxp F 72  ? 0.041  26.127 37.759 1   85.894  ? 76  F 1 .
ATOM 6628 C CE1  . PHE Fxp F 72  ? 1.787  27.684 39.21  1   87.181  ? 76  F 1 .
ATOM 6629 C CE2  . PHE Fxp F 72  ? 1.341  26.319 37.315 1   86.264  ? 76  F 1 .
ATOM 6630 C CZ   . PHE Fxp F 72  ? 2.212  27.089 38.043 1   82.412  ? 76  F 1 .
ATOM 6631 H H    . PHE Fxp F 72  ? -0.354 26.639 41.848 1   64.583  ? 76  F 1 c
ATOM 6632 H HA   . PHE Fxp F 72  ? -2.932 25.945 41.047 1   70.253  ? 76  F 1 c
ATOM 6633 H HB3  . PHE Fxp F 72  ? -2.292 27.406 39.379 1   76.77   ? 76  F 1 c
ATOM 6634 H HB2  . PHE Fxp F 72  ? -2.297 25.942 38.766 1   76.809  ? 76  F 1 c
ATOM 6635 H HD1  . PHE Fxp F 72  ? 0.205  27.928 40.452 1   80.062  ? 76  F 1 c
ATOM 6636 H HD2  . PHE Fxp F 72  ? -0.555 25.6   37.251 1   84.511  ? 76  F 1 c
ATOM 6637 H HE1  . PHE Fxp F 72  ? 2.385  28.215 39.71  1   83.751  ? 76  F 1 c
ATOM 6638 H HE2  . PHE Fxp F 72  ? 1.631  25.902 36.519 1   85.183  ? 76  F 1 c
ATOM 6639 H HZ   . PHE Fxp F 72  ? 3.1    27.208 37.747 1   84.336  ? 76  F 1 c
ATOM 6640 N N    . TYR Fxp F 73  ? -2.225 23.636 40.194 1   72.466  ? 77  F 1 .
ATOM 6641 C CA   . TYR Fxp F 73  ? -1.807 22.263 40.032 1   71.014  ? 77  F 1 .
ATOM 6642 C C    . TYR Fxp F 73  ? -1.419 22.045 38.581 1   81.618  ? 77  F 1 .
ATOM 6643 O O    . TYR Fxp F 73  ? -1.931 22.714 37.686 1   74.757  ? 77  F 1 .
ATOM 6644 C CB   . TYR Fxp F 73  ? -2.924 21.301 40.409 1   68.452  ? 77  F 1 .
ATOM 6645 C CG   . TYR Fxp F 73  ? -3.025 20.994 41.888 1   67.065  ? 77  F 1 .
ATOM 6646 C CD1  . TYR Fxp F 73  ? -3.781 21.79  42.726 1   79.933  ? 77  F 1 .
ATOM 6647 C CD2  . TYR Fxp F 73  ? -2.393 19.886 42.436 1   74.707  ? 77  F 1 .
ATOM 6648 C CE1  . TYR Fxp F 73  ? -3.899 21.493 44.076 1   96.891  ? 77  F 1 .
ATOM 6649 C CE2  . TYR Fxp F 73  ? -2.502 19.572 43.783 1   80.486  ? 77  F 1 .
ATOM 6650 C CZ   . TYR Fxp F 73  ? -3.248 20.389 44.608 1   90.955  ? 77  F 1 .
ATOM 6651 O OH   . TYR Fxp F 73  ? -3.336 20.107 45.937 1   103.587 ? 77  F 1 .
ATOM 6652 H H    . TYR Fxp F 73  ? -3.033 23.897 39.856 1   71.996  ? 77  F 1 c
ATOM 6653 H HA   . TYR Fxp F 73  ? -1.023 22.091 40.61  1   72.86   ? 77  F 1 c
ATOM 6654 H HB3  . TYR Fxp F 73  ? -2.786 20.458 39.922 1   68.784  ? 77  F 1 c
ATOM 6655 H HB2  . TYR Fxp F 73  ? -3.778 21.682 40.107 1   68.762  ? 77  F 1 c
ATOM 6656 H HD1  . TYR Fxp F 73  ? -4.227 22.545 42.375 1   80.285  ? 77  F 1 c
ATOM 6657 H HD2  . TYR Fxp F 73  ? -1.884 19.327 41.874 1   74.781  ? 77  F 1 c
ATOM 6658 H HE1  . TYR Fxp F 73  ? -4.404 22.055 44.639 1   90.957  ? 77  F 1 c
ATOM 6659 H HE2  . TYR Fxp F 73  ? -2.051 18.825 44.137 1   81.69   ? 77  F 1 c
ATOM 6660 H HH   . TYR Fxp F 73  ? -4.003 20.905 46.277 0   200.4   ? 77  F 1 c
ATOM 6661 N N    . LEU Fxp F 74  ? -0.493 21.099 38.393 1   100.516 ? 78  F 1 .
ATOM 6662 C CA   . LEU Fxp F 74  ? -0.205 20.489 37.105 1   87.475  ? 78  F 1 .
ATOM 6663 C C    . LEU Fxp F 74  ? -0.461 18.991 37.253 1   78.985  ? 78  F 1 .
ATOM 6664 O O    . LEU Fxp F 74  ? 0.418  18.232 37.658 1   80.012  ? 78  F 1 .
ATOM 6665 C CB   . LEU Fxp F 74  ? 1.243  20.818 36.75  1   85.111  ? 78  F 1 .
ATOM 6666 C CG   . LEU Fxp F 74  ? 1.445  21.529 35.414 1   87.672  ? 78  F 1 .
ATOM 6667 C CD1  . LEU Fxp F 74  ? 1.158  20.537 34.295 1   109.402 ? 78  F 1 .
ATOM 6668 C CD2  . LEU Fxp F 74  ? 0.561  22.758 35.338 1   76.737  ? 78  F 1 .
ATOM 6669 H H    . LEU Fxp F 74  ? -0.009 20.818 39.115 1   92.135  ? 78  F 1 c
ATOM 6670 H HA   . LEU Fxp F 74  ? -0.816 20.861 36.422 1   87.457  ? 78  F 1 c
ATOM 6671 H HB3  . LEU Fxp F 74  ? 1.76   19.981 36.737 1   86.385  ? 78  F 1 c
ATOM 6672 H HB2  . LEU Fxp F 74  ? 1.615  21.387 37.463 1   86.378  ? 78  F 1 c
ATOM 6673 H HG   . LEU Fxp F 74  ? 2.392  21.815 35.349 1   88.63   ? 78  F 1 c
ATOM 6674 H HD11 . LEU Fxp F 74  ? 1.725  19.754 34.4   1   102.292 ? 78  F 1 c
ATOM 6675 H HD12 . LEU Fxp F 74  ? 1.34   20.954 33.436 1   102.38  ? 78  F 1 c
ATOM 6676 H HD13 . LEU Fxp F 74  ? 0.225  20.266 34.33  1   102.197 ? 78  F 1 c
ATOM 6677 H HD21 . LEU Fxp F 74  ? 0.446  23.134 36.227 1   79.978  ? 78  F 1 c
ATOM 6678 H HD22 . LEU Fxp F 74  ? -0.306 22.513 34.976 1   80.216  ? 78  F 1 c
ATOM 6679 H HD23 . LEU Fxp F 74  ? 0.976  23.421 34.76  1   79.93   ? 78  F 1 c
ATOM 6680 N N    . GLY Fxp F 75  ? -1.704 18.589 36.995 1   71.101  ? 79  F 1 .
ATOM 6681 C CA   . GLY Fxp F 75  ? -2.128 17.248 37.33  1   78.846  ? 79  F 1 .
ATOM 6682 C C    . GLY Fxp F 75  ? -2.245 17.092 38.842 1   98.044  ? 79  F 1 .
ATOM 6683 O O    . GLY Fxp F 75  ? -3.227 17.542 39.432 1   131.308 ? 79  F 1 .
ATOM 6684 H H    . GLY Fxp F 75  ? -2.3   19.16  36.603 1   74.808  ? 79  F 1 c
ATOM 6685 H HA3  . GLY Fxp F 75  ? -1.476 16.599 36.975 1   80.971  ? 79  F 1 c
ATOM 6686 H HA2  . GLY Fxp F 75  ? -3.001 17.068 36.909 1   80.79   ? 79  F 1 c
ATOM 6687 N N    . GLN Fxp F 76  ? -1.261 16.423 39.457 1   103.03  ? 80  F 1 .
ATOM 6688 C CA   . GLN Fxp F 76  ? -1.263 16.226 40.902 1   99.823  ? 80  F 1 .
ATOM 6689 C C    . GLN Fxp F 76  ? -0.251 17.162 41.546 1   96.686  ? 80  F 1 .
ATOM 6690 O O    . GLN Fxp F 76  ? -0.42  17.531 42.703 1   124.503 ? 80  F 1 .
ATOM 6691 C CB   . GLN Fxp F 76  ? -0.947 14.807 41.37  1   100.288 ? 80  F 1 .
ATOM 6692 C CG   . GLN Fxp F 76  ? -1.915 13.742 40.869 1   109.005 ? 80  F 1 .
ATOM 6693 C CD   . GLN Fxp F 76  ? -1.365 12.952 39.695 1   135.15  ? 80  F 1 .
ATOM 6694 O OE1  . GLN Fxp F 76  ? -1.169 13.473 38.587 1   119.86  ? 80  F 1 .
ATOM 6695 N NE2  . GLN Fxp F 76  ? -1.096 11.674 39.937 1   151.717 ? 80  F 1 .
ATOM 6696 H H    . GLN Fxp F 76  ? -0.582 16.064 38.963 1   100.441 ? 80  F 1 c
ATOM 6697 H HA   . GLN Fxp F 76  ? -2.162 16.461 41.246 1   100.098 ? 80  F 1 c
ATOM 6698 H HB3  . GLN Fxp F 76  ? -0.938 14.792 42.35  1   102.067 ? 80  F 1 c
ATOM 6699 H HB2  . GLN Fxp F 76  ? -0.048 14.581 41.061 1   102.066 ? 80  F 1 c
ATOM 6700 H HG3  . GLN Fxp F 76  ? -2.754 14.17  40.596 1   112.387 ? 80  F 1 c
ATOM 6701 H HG2  . GLN Fxp F 76  ? -2.12  13.121 41.601 1   112.767 ? 80  F 1 c
ATOM 6702 H HE21 . GLN Fxp F 76  ? -1.343 11.052 39.354 1   146.339 ? 80  F 1 c
ATOM 6703 H HE22 . GLN Fxp F 76  ? -0.671 11.444 40.681 1   146.106 ? 80  F 1 c
ATOM 6704 N N    . VAL Fxp F 77  ? 0.782  17.551 40.796 1   82.417  ? 81  F 1 .
ATOM 6705 C CA   . VAL Fxp F 77  ? 1.795  18.449 41.318 1   74.435  ? 81  F 1 .
ATOM 6706 C C    . VAL Fxp F 77  ? 1.238  19.865 41.489 1   83.974  ? 81  F 1 .
ATOM 6707 O O    . VAL Fxp F 77  ? 0.8    20.519 40.544 1   76.928  ? 81  F 1 .
ATOM 6708 C CB   . VAL Fxp F 77  ? 3.037  18.424 40.423 1   69.321  ? 81  F 1 .
ATOM 6709 C CG1  . VAL Fxp F 77  ? 3.965  19.585 40.722 1   76.918  ? 81  F 1 .
ATOM 6710 C CG2  . VAL Fxp F 77  ? 3.784  17.116 40.607 1   77.578  ? 81  F 1 .
ATOM 6711 H H    . VAL Fxp F 77  ? 0.866  17.243 39.941 1   83.848  ? 81  F 1 c
ATOM 6712 H HA   . VAL Fxp F 77  ? 2.057  18.119 42.199 1   76.952  ? 81  F 1 c
ATOM 6713 H HB   . VAL Fxp F 77  ? 2.736  18.491 39.487 1   73.194  ? 81  F 1 c
ATOM 6714 H HG11 . VAL Fxp F 77  ? 4.007  19.729 41.682 1   74.496  ? 81  F 1 c
ATOM 6715 H HG12 . VAL Fxp F 77  ? 3.629  20.388 40.289 1   74.668  ? 81  F 1 c
ATOM 6716 H HG13 . VAL Fxp F 77  ? 4.855  19.387 40.385 1   74.604  ? 81  F 1 c
ATOM 6717 H HG21 . VAL Fxp F 77  ? 4.621  17.147 40.114 1   75.079  ? 81  F 1 c
ATOM 6718 H HG22 . VAL Fxp F 77  ? 3.241  16.384 40.272 1   75.173  ? 81  F 1 c
ATOM 6719 H HG23 . VAL Fxp F 77  ? 3.97   16.976 41.551 1   75.084  ? 81  F 1 c
ATOM 6720 N N    . ALA Fxp F 78  ? 1.289  20.345 42.738 1   82.06   ? 82  F 1 .
ATOM 6721 C CA   . ALA Fxp F 78  ? 0.885  21.699 43.064 1   71.862  ? 82  F 1 .
ATOM 6722 C C    . ALA Fxp F 78  ? 2.103  22.613 43.089 1   65.528  ? 82  F 1 .
ATOM 6723 O O    . ALA Fxp F 78  ? 3.145  22.248 43.631 1   48.895  ? 82  F 1 .
ATOM 6724 C CB   . ALA Fxp F 78  ? 0.195  21.693 44.395 1   77.964  ? 82  F 1 .
ATOM 6725 H H    . ALA Fxp F 78  ? 1.591  19.805 43.411 1   79.951  ? 82  F 1 c
ATOM 6726 H HA   . ALA Fxp F 78  ? 0.255  22.021 42.368 1   73.511  ? 82  F 1 c
ATOM 6727 H HB3  . ALA Fxp F 78  ? -0.534 22.336 44.388 1   76.091  ? 82  F 1 c
ATOM 6728 H HB2  . ALA Fxp F 78  ? 0.827  21.933 45.094 1   76.037  ? 82  F 1 c
ATOM 6729 H HB1  . ALA Fxp F 78  ? -0.161 20.807 44.577 1   76.158  ? 82  F 1 c
ATOM 6730 N N    . ILE Fxp F 79  ? 1.938  23.813 42.524 1   64.117  ? 83  F 1 .
ATOM 6731 C CA   . ILE Fxp F 79  ? 2.985  24.82  42.535 1   65.108  ? 83  F 1 .
ATOM 6732 C C    . ILE Fxp F 79  ? 2.5    25.98  43.394 1   63.361  ? 83  F 1 .
ATOM 6733 O O    . ILE Fxp F 79  ? 1.456  26.554 43.131 1   78.304  ? 83  F 1 .
ATOM 6734 C CB   . ILE Fxp F 79  ? 3.335  25.339 41.122 1   68.228  ? 83  F 1 .
ATOM 6735 C CG1  . ILE Fxp F 79  ? 3.191  24.278 40.021 1   74.529  ? 83  F 1 .
ATOM 6736 C CG2  . ILE Fxp F 79  ? 4.724  25.981 41.103 1   62.537  ? 83  F 1 .
ATOM 6737 C CD1  . ILE Fxp F 79  ? 4.171  23.122 40.143 1   81.113  ? 83  F 1 .
ATOM 6738 H H    . ILE Fxp F 79  ? 1.143  24.012 42.119 1   64.897  ? 83  F 1 c
ATOM 6739 H HA   . ILE Fxp F 79  ? 3.787  24.439 42.937 1   64.88   ? 83  F 1 c
ATOM 6740 H HB   . ILE Fxp F 79  ? 2.694  26.044 40.915 1   67.775  ? 83  F 1 c
ATOM 6741 H HG12 . ILE Fxp F 79  ? 3.324  24.709 39.152 1   74.424  ? 83  F 1 c
ATOM 6742 H HG13 . ILE Fxp F 79  ? 2.28   23.922 40.041 1   74.348  ? 83  F 1 c
ATOM 6743 H HG21 . ILE Fxp F 79  ? 5.102  25.916 40.21  1   64.233  ? 83  F 1 c
ATOM 6744 H HG22 . ILE Fxp F 79  ? 5.306  25.524 41.733 1   64.111  ? 83  F 1 c
ATOM 6745 H HG23 . ILE Fxp F 79  ? 4.653  26.918 41.354 1   64.162  ? 83  F 1 c
ATOM 6746 H HD11 . ILE Fxp F 79  ? 5.085  23.453 40.053 1   78.78   ? 83  F 1 c
ATOM 6747 H HD12 . ILE Fxp F 79  ? 3.992  22.474 39.436 1   78.973  ? 83  F 1 c
ATOM 6748 H HD13 . ILE Fxp F 79  ? 4.068  22.689 41.011 1   78.895  ? 83  F 1 c
ATOM 6749 N N    . LEU Fxp F 80  ? 3.283  26.342 44.402 1   59.471  ? 84  F 1 .
ATOM 6750 C CA   . LEU Fxp F 80  ? 3.142  27.635 45.031 1   54.655  ? 84  F 1 .
ATOM 6751 C C    . LEU Fxp F 80  ? 4.298  28.521 44.59  1   54.144  ? 84  F 1 .
ATOM 6752 O O    . LEU Fxp F 80  ? 5.463  28.174 44.792 1   52.462  ? 84  F 1 .
ATOM 6753 C CB   . LEU Fxp F 80  ? 3.154  27.441 46.542 1   58.693  ? 84  F 1 .
ATOM 6754 C CG   . LEU Fxp F 80  ? 3.17   28.731 47.365 1   60.649  ? 84  F 1 .
ATOM 6755 C CD1  . LEU Fxp F 80  ? 2.125  29.69  46.837 1   62.727  ? 84  F 1 .
ATOM 6756 C CD2  . LEU Fxp F 80  ? 2.945  28.46  48.836 1   64.684  ? 84  F 1 .
ATOM 6757 H H    . LEU Fxp F 80  ? 3.923  25.766 44.71  1   59.302  ? 84  F 1 c
ATOM 6758 H HA   . LEU Fxp F 80  ? 2.283  28.041 44.752 1   56.447  ? 84  F 1 c
ATOM 6759 H HB3  . LEU Fxp F 80  ? 3.949  26.91  46.779 1   58.203  ? 84  F 1 c
ATOM 6760 H HB2  . LEU Fxp F 80  ? 2.356  26.92  46.793 1   58.286  ? 84  F 1 c
ATOM 6761 H HG   . LEU Fxp F 80  ? 4.061  29.155 47.264 1   61.365  ? 84  F 1 c
ATOM 6762 H HD11 . LEU Fxp F 80  ? 2.484  30.177 46.076 1   61.966  ? 84  F 1 c
ATOM 6763 H HD12 . LEU Fxp F 80  ? 1.881  30.322 47.534 1   62.078  ? 84  F 1 c
ATOM 6764 H HD13 . LEU Fxp F 80  ? 1.336  29.195 46.561 1   61.982  ? 84  F 1 c
ATOM 6765 H HD21 . LEU Fxp F 80  ? 3.235  27.558 49.05  1   63.508  ? 84  F 1 c
ATOM 6766 H HD22 . LEU Fxp F 80  ? 2      28.552 49.043 1   63.544  ? 84  F 1 c
ATOM 6767 H HD23 . LEU Fxp F 80  ? 3.454  29.097 49.365 1   63.542  ? 84  F 1 c
ATOM 6768 N N    . LEU Fxp F 81  ? 3.967  29.677 44.019 1   58.229  ? 85  F 1 .
ATOM 6769 C CA   . LEU Fxp F 81  ? 4.979  30.665 43.68  1   67.198  ? 85  F 1 .
ATOM 6770 C C    . LEU Fxp F 81  ? 4.526  32.08  44.036 1   68.065  ? 85  F 1 .
ATOM 6771 O O    . LEU Fxp F 81  ? 3.427  32.519 43.677 1   77.589  ? 85  F 1 .
ATOM 6772 C CB   . LEU Fxp F 81  ? 5.213  30.564 42.181 1   77.624  ? 85  F 1 .
ATOM 6773 C CG   . LEU Fxp F 81  ? 6.358  31.426 41.65  1   73.481  ? 85  F 1 .
ATOM 6774 C CD1  . LEU Fxp F 81  ? 7.66   30.681 41.894 1   64.709  ? 85  F 1 .
ATOM 6775 C CD2  . LEU Fxp F 81  ? 6.098  31.777 40.19  1   73.67   ? 85  F 1 .
ATOM 6776 H H    . LEU Fxp F 81  ? 3.091  29.857 43.829 1   59.071  ? 85  F 1 c
ATOM 6777 H HA   . LEU Fxp F 81  ? 5.815  30.453 44.163 1   66.942  ? 85  F 1 c
ATOM 6778 H HB3  . LEU Fxp F 81  ? 4.385  30.824 41.721 1   74.241  ? 85  F 1 c
ATOM 6779 H HB2  . LEU Fxp F 81  ? 5.398  29.622 41.96  1   74.074  ? 85  F 1 c
ATOM 6780 H HG   . LEU Fxp F 81  ? 6.383  32.269 42.17  1   72.497  ? 85  F 1 c
ATOM 6781 H HD11 . LEU Fxp F 81  ? 7.857  30.676 42.843 1   67.021  ? 85  F 1 c
ATOM 6782 H HD12 . LEU Fxp F 81  ? 8.382  31.124 41.417 1   67.173  ? 85  F 1 c
ATOM 6783 H HD13 . LEU Fxp F 81  ? 7.578  29.766 41.577 1   67.199  ? 85  F 1 c
ATOM 6784 H HD21 . LEU Fxp F 81  ? 5.269  32.28  40.119 1   73.616  ? 85  F 1 c
ATOM 6785 H HD22 . LEU Fxp F 81  ? 6.026  30.961 39.667 1   73.613  ? 85  F 1 c
ATOM 6786 H HD23 . LEU Fxp F 81  ? 6.832  32.315 39.851 1   73.606  ? 85  F 1 c
ATOM 6787 N N    . PHE Fxp F 82  ? 5.41   32.816 44.701 1   60.36   ? 86  F 1 .
ATOM 6788 C CA   . PHE Fxp F 82  ? 5.072  34.171 45.091 1   64.321  ? 86  F 1 .
ATOM 6789 C C    . PHE Fxp F 82  ? 6.348  34.993 45.256 1   63.736  ? 86  F 1 .
ATOM 6790 O O    . PHE Fxp F 82  ? 7.439  34.452 45.432 1   60.668  ? 86  F 1 .
ATOM 6791 C CB   . PHE Fxp F 82  ? 4.24   34.102 46.378 1   75.007  ? 86  F 1 .
ATOM 6792 C CG   . PHE Fxp F 82  ? 4.93   33.382 47.532 1   76.524  ? 86  F 1 .
ATOM 6793 C CD1  . PHE Fxp F 82  ? 4.958  31.997 47.584 1   63.142  ? 86  F 1 .
ATOM 6794 C CD2  . PHE Fxp F 82  ? 5.585  34.098 48.533 1   89.472  ? 86  F 1 .
ATOM 6795 C CE1  . PHE Fxp F 82  ? 5.616  31.348 48.608 1   70.617  ? 86  F 1 .
ATOM 6796 C CE2  . PHE Fxp F 82  ? 6.252  33.444 49.553 1   90.776  ? 86  F 1 .
ATOM 6797 C CZ   . PHE Fxp F 82  ? 6.267  32.066 49.588 1   85.508  ? 86  F 1 .
ATOM 6798 H H    . PHE Fxp F 82  ? 6.231  32.477 44.917 1   63.075  ? 86  F 1 c
ATOM 6799 H HA   . PHE Fxp F 82  ? 4.521  34.578 44.375 1   65.419  ? 86  F 1 c
ATOM 6800 H HB3  . PHE Fxp F 82  ? 3.393  33.644 46.178 1   72.735  ? 86  F 1 c
ATOM 6801 H HB2  . PHE Fxp F 82  ? 4.026  35.019 46.659 1   72.721  ? 86  F 1 c
ATOM 6802 H HD1  . PHE Fxp F 82  ? 4.527  31.495 46.91  1   68.105  ? 86  F 1 c
ATOM 6803 H HD2  . PHE Fxp F 82  ? 5.591  35.042 48.501 1   86.263  ? 86  F 1 c
ATOM 6804 H HE1  . PHE Fxp F 82  ? 5.622  30.404 48.636 1   72.195  ? 86  F 1 c
ATOM 6805 H HE2  . PHE Fxp F 82  ? 6.687  33.94  50.228 1   88.663  ? 86  F 1 c
ATOM 6806 H HZ   . PHE Fxp F 82  ? 6.701  31.616 50.295 1   82.74   ? 86  F 1 c
ATOM 6807 N N    . LYS Fxp F 83  ? 6.178  36.316 45.218 1   64.577  ? 87  F 1 .
ATOM 6808 C CA   . LYS Fxp F 83  ? 7.267  37.249 45.427 1   68.74   ? 87  F 1 .
ATOM 6809 C C    . LYS Fxp F 83  ? 7.146  37.882 46.808 1   71.081  ? 87  F 1 .
ATOM 6810 O O    . LYS Fxp F 83  ? 6.051  38.196 47.259 1   71.174  ? 87  F 1 .
ATOM 6811 C CB   . LYS Fxp F 83  ? 7.263  38.335 44.351 1   70.361  ? 87  F 1 .
ATOM 6812 C CG   . LYS Fxp F 83  ? 8.424  39.3   44.467 1   83.878  ? 87  F 1 .
ATOM 6813 C CD   . LYS Fxp F 83  ? 8.789  39.97  43.147 1   100.007 ? 87  F 1 .
ATOM 6814 C CE   . LYS Fxp F 83  ? 9.764  41.122 43.27  1   122.232 ? 87  F 1 .
ATOM 6815 N NZ   . LYS Fxp F 83  ? 9.164  42.465 43.223 1   133.772 ? 87  F 1 .
ATOM 6816 H H    . LYS Fxp F 83  ? 5.343  36.65  45.056 1   65.288  ? 87  F 1 c
ATOM 6817 H HA   . LYS Fxp F 83  ? 8.123  36.755 45.377 1   68.715  ? 87  F 1 c
ATOM 6818 H HB3  . LYS Fxp F 83  ? 6.43   38.845 44.42  1   73.033  ? 87  F 1 c
ATOM 6819 H HB2  . LYS Fxp F 83  ? 7.289  37.913 43.467 1   73.021  ? 87  F 1 c
ATOM 6820 H HG3  . LYS Fxp F 83  ? 9.206  38.811 44.806 1   83.645  ? 87  F 1 c
ATOM 6821 H HG2  . LYS Fxp F 83  ? 8.193  39.992 45.124 1   83.737  ? 87  F 1 c
ATOM 6822 H HD3  . LYS Fxp F 83  ? 7.965  40.296 42.724 1   100.545 ? 87  F 1 c
ATOM 6823 H HD2  . LYS Fxp F 83  ? 9.177  39.294 42.554 1   100.284 ? 87  F 1 c
ATOM 6824 H HE3  . LYS Fxp F 83  ? 10.418 41.06  42.554 1   118.698 ? 87  F 1 c
ATOM 6825 H HE2  . LYS Fxp F 83  ? 10.239 41.034 44.115 1   118.216 ? 87  F 1 c
ATOM 6826 H HZ1  . LYS Fxp F 83  ? 8.496  42.524 43.833 1   130.108 ? 87  F 1 c
ATOM 6827 H HZ2  . LYS Fxp F 83  ? 8.827  42.622 42.397 1   130.108 ? 87  F 1 c
ATOM 6828 H HZ3  . LYS Fxp F 83  ? 9.794  43.089 43.411 1   130.108 ? 87  F 1 c
ATOM 6829 N N    . SER Fxp F 84  ? 8.29   38.09  47.461 1   82.495  ? 88  F 1 .
ATOM 6830 C CA   . SER Fxp F 84  ? 8.305  38.586 48.827 1   94.807  ? 88  F 1 .
ATOM 6831 C C    . SER Fxp F 84  ? 9.699  39.088 49.211 1   92.926  ? 88  F 1 .
ATOM 6832 O O    . SER Fxp F 84  ? 10.529 38.318 49.698 1   67.594  ? 88  F 1 .
ATOM 6833 C CB   . SER Fxp F 84  ? 7.809  37.525 49.797 1   95.522  ? 88  F 1 .
ATOM 6834 O OG   . SER Fxp F 84  ? 8.035  37.919 51.146 1   90.365  ? 88  F 1 .
ATOM 6835 H H    . SER Fxp F 84  ? 9.086  37.919 47.044 1   81.994  ? 88  F 1 c
ATOM 6836 H HA   . SER Fxp F 84  ? 7.684  39.357 48.874 1   91.92   ? 88  F 1 c
ATOM 6837 H HB3  . SER Fxp F 84  ? 8.273  36.684 49.622 1   94.035  ? 88  F 1 c
ATOM 6838 H HB2  . SER Fxp F 84  ? 6.854  37.38  49.658 1   93.74   ? 88  F 1 c
ATOM 6839 H HG   . SER Fxp F 84  ? 7.889  37.533 51.706 0   58.57   ? 88  F 1 c
ATOM 6840 N N    . GLY Fxp F 85  ? 9.933  40.388 48.969 1   102.737 ? 89  F 1 .
ATOM 6841 C CA   . GLY Fxp F 85  ? 11.013 41.126 49.607 1   104.443 ? 89  F 1 .
ATOM 6842 C C    . GLY Fxp F 85  ? 12.269 41.216 48.748 1   115.967 ? 89  F 1 .
ATOM 6843 O O    . GLY Fxp F 85  ? 13.335 41.492 49.359 1   132.08  ? 89  F 1 .
ATOM 6844 O OXT  . GLY Fxp F 85  ? 12.164 41.033 47.499 1   90.742  ? 89  F 1 .
ATOM 6845 H H    . GLY Fxp F 85  ? 9.395  40.83  48.377 1   100.567 ? 89  F 1 c
ATOM 6846 H HA3  . GLY Fxp F 85  ? 11.237 40.689 50.46  1   106.011 ? 89  F 1 c
ATOM 6847 H HA2  . GLY Fxp F 85  ? 10.696 42.036 49.812 1   106.403 ? 89  F 1 c



loop_
_struct_mon_prot_cis.pdbx_id
_struct_mon_prot_cis.pdbx_PDB_model_num
_struct_mon_prot_cis.label_asym_id
_struct_mon_prot_cis.label_seq_id
_struct_mon_prot_cis.label_comp_id
_struct_mon_prot_cis.auth_asym_id
_struct_mon_prot_cis.auth_seq_id
_struct_mon_prot_cis.pdbx_PDB_ins_code
_struct_mon_prot_cis.pdbx_label_asym_id_2
_struct_mon_prot_cis.pdbx_label_seq_id_2
_struct_mon_prot_cis.pdbx_label_comp_id_2
_struct_mon_prot_cis.pdbx_auth_asym_id_2
_struct_mon_prot_cis.pdbx_auth_seq_id_2
_struct_mon_prot_cis.pdbx_PDB_ins_code_2
_struct_mon_prot_cis.label_alt_id
_struct_mon_prot_cis.pdbx_omega_angle
1 1 Exp 48 PRO E 52 ? Exp 49 THR E 53 ? . -0.290721664
2 1 Fxp 48 PRO F 52 ? Fxp 49 THR F 53 ? . 0.305673379

data_GLN
_chem_comp.id                     GLN
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
GLN N    N NT3 1
GLN CA   C CH1 0
GLN C    C C   0
GLN O    O O   0
GLN CB   C CH2 0
GLN CG   C CH2 0
GLN CD   C C   0
GLN OE1  O O   0
GLN NE2  N NH2 0
GLN OXT  O OC  -1
GLN H    H H   0
GLN H2   H H   0
GLN H3   H H   0
GLN HA   H H   0
GLN HB3  H H   0
GLN HB2  H H   0
GLN HG3  H H   0
GLN HG2  H H   0
GLN HE21 H H   0
GLN HE22 H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
GLN N   CA   single n 1.487 0.01   1.487 0.01
GLN CA  C    single n 1.538 0.0113 1.538 0.0113
GLN CA  CB   single n 1.529 0.01   1.529 0.01
GLN C   O    double n 1.251 0.0183 1.251 0.0183
GLN C   OXT  single n 1.251 0.0183 1.251 0.0183
GLN CB  CG   single n 1.525 0.01   1.525 0.01
GLN CG  CD   single n 1.513 0.01   1.513 0.01
GLN CD  OE1  double n 1.236 0.01   1.236 0.01
GLN CD  NE2  single n 1.325 0.01   1.325 0.01
GLN N   H    single n 0.902 0.0102 1.018 0.052
GLN N   H2   single n 0.902 0.0102 1.018 0.052
GLN N   H3   single n 0.902 0.0102 1.018 0.052
GLN CA  HA   single n 0.991 0.02   1.092 0.01
GLN CB  HB3  single n 0.98  0.0168 1.092 0.01
GLN CB  HB2  single n 0.98  0.0168 1.092 0.01
GLN CG  HG3  single n 0.981 0.0172 1.092 0.01
GLN CG  HG2  single n 0.981 0.0172 1.092 0.01
GLN NE2 HE21 single n 0.887 0.02   1.013 0.012
GLN NE2 HE22 single n 0.887 0.02   1.013 0.012

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
GLN CA   N   H    109.99  3
GLN CA   N   H2   109.99  3
GLN CA   N   H3   109.99  3
GLN H    N   H2   109.032 3
GLN H    N   H3   109.032 3
GLN H2   N   H3   109.032 3
GLN N    CA  C    109.258 1.5
GLN N    CA  CB   110.44  2.46
GLN N    CA  HA   108.387 1.58
GLN C    CA  CB   111.059 3
GLN C    CA  HA   108.774 1.79
GLN CB   CA  HA   109.08  2.33
GLN CA   C   O    117.148 1.6
GLN CA   C   OXT  117.148 1.6
GLN O    C   OXT  125.704 1.5
GLN CA   CB  CG   113.998 1.5
GLN CA   CB  HB3  108.677 1.74
GLN CA   CB  HB2  108.677 1.74
GLN CG   CB  HB3  108.907 1.5
GLN CG   CB  HB2  108.907 1.5
GLN HB3  CB  HB2  107.655 1.5
GLN CB   CG  CD   113.265 1.5
GLN CB   CG  HG3  109.355 1.5
GLN CB   CG  HG2  109.355 1.5
GLN CD   CG  HG3  108.958 1.89
GLN CD   CG  HG2  108.958 1.89
GLN HG3  CG  HG2  107.827 1.56
GLN CG   CD  OE1  121.487 1.5
GLN CG   CD  NE2  116.074 1.76
GLN OE1  CD  NE2  122.439 1.5
GLN CD   NE2 HE21 119.917 2.87
GLN CD   NE2 HE22 119.917 2.87
GLN HE21 NE2 HE22 120.165 3

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
GLN chi1      N  CA CB  CG   -60 10 3
GLN chi2      CA CB CG  CD   180 10 3
GLN chi3      CB CG CD  NE2  180 10 6
GLN hh1       CG CD NE2 HE22 180 5  2
GLN sp3_sp3_1 C  CA N   H    180 10 3
GLN sp2_sp3_1 O  C  CA  N    0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
GLN chir_1 CA N C CB positive

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
GLN plan-1 C    0.02
GLN plan-1 CA   0.02
GLN plan-1 O    0.02
GLN plan-1 OXT  0.02
GLN plan-2 CD   0.02
GLN plan-2 CG   0.02
GLN plan-2 NE2  0.02
GLN plan-2 OE1  0.02
GLN plan-3 CD   0.02
GLN plan-3 HE21 0.02
GLN plan-3 HE22 0.02
GLN plan-3 NE2  0.02

data_PHE
_chem_comp.id                     PHE
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
PHE N   N NT3  1
PHE CA  C CH1  0
PHE C   C C    0
PHE O   O O    0
PHE CB  C CH2  0
PHE CG  C CR6  0
PHE CD1 C CR16 0
PHE CD2 C CR16 0
PHE CE1 C CR16 0
PHE CE2 C CR16 0
PHE CZ  C CR16 0
PHE OXT O OC   -1
PHE H   H H    0
PHE H2  H H    0
PHE H3  H H    0
PHE HA  H H    0
PHE HB3 H H    0
PHE HB2 H H    0
PHE HD1 H H    0
PHE HD2 H H    0
PHE HE1 H H    0
PHE HE2 H H    0
PHE HZ  H H    0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
PHE N   CA  single n 1.489 0.01   1.489 0.01
PHE CA  C   single n 1.531 0.0171 1.531 0.0171
PHE CA  CB  single n 1.532 0.01   1.532 0.01
PHE C   O   double n 1.251 0.0183 1.251 0.0183
PHE C   OXT single n 1.251 0.0183 1.251 0.0183
PHE CB  CG  single n 1.523 0.01   1.523 0.01
PHE CG  CD1 double y 1.39  0.0116 1.39  0.0116
PHE CG  CD2 single y 1.39  0.0116 1.39  0.0116
PHE CD1 CE1 single y 1.386 0.0131 1.386 0.0131
PHE CD2 CE2 double y 1.386 0.0131 1.386 0.0131
PHE CE1 CZ  double y 1.376 0.0151 1.376 0.0151
PHE CE2 CZ  single y 1.376 0.0151 1.376 0.0151
PHE N   H   single n 0.902 0.0102 1.018 0.052
PHE N   H2  single n 0.902 0.0102 1.018 0.052
PHE N   H3  single n 0.902 0.0102 1.018 0.052
PHE CA  HA  single n 0.994 0.02   1.092 0.01
PHE CB  HB3 single n 0.983 0.0163 1.092 0.01
PHE CB  HB2 single n 0.983 0.0163 1.092 0.01
PHE CD1 HD1 single n 0.944 0.0143 1.085 0.015
PHE CD2 HD2 single n 0.944 0.0143 1.085 0.015
PHE CE1 HE1 single n 0.944 0.018  1.085 0.015
PHE CE2 HE2 single n 0.944 0.018  1.085 0.015
PHE CZ  HZ  single n 0.944 0.017  1.085 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
PHE CA  N   H   109.791 3
PHE CA  N   H2  109.791 3
PHE CA  N   H3  109.791 3
PHE H   N   H2  109.032 3
PHE H   N   H3  109.032 3
PHE H2  N   H3  109.032 3
PHE N   CA  C   109.085 1.5
PHE N   CA  CB  109.965 3
PHE N   CA  HA  108.547 1.5
PHE C   CA  CB  111.98  3
PHE C   CA  HA  108.746 1.5
PHE CB  CA  HA  108.686 1.5
PHE CA  C   O   117.219 3
PHE CA  C   OXT 117.219 3
PHE O   C   OXT 125.562 1.5
PHE CA  CB  CG  114.693 2.05
PHE CA  CB  HB3 108.494 1.5
PHE CA  CB  HB2 108.494 1.5
PHE CG  CB  HB3 108.859 1.5
PHE CG  CB  HB2 108.859 1.5
PHE HB3 CB  HB2 107.843 2.16
PHE CB  CG  CD1 120.965 1.5
PHE CB  CG  CD2 120.965 1.5
PHE CD1 CG  CD2 118.071 1.5
PHE CG  CD1 CE1 120.673 1.5
PHE CG  CD1 HD1 119.564 1.5
PHE CE1 CD1 HD1 119.763 1.5
PHE CG  CD2 CE2 120.673 1.5
PHE CG  CD2 HD2 119.564 1.5
PHE CE2 CD2 HD2 119.763 1.5
PHE CD1 CE1 CZ  120.297 1.5
PHE CD1 CE1 HE1 119.796 1.5
PHE CZ  CE1 HE1 119.907 1.5
PHE CD2 CE2 CZ  120.297 1.5
PHE CD2 CE2 HE2 119.796 1.5
PHE CZ  CE2 HE2 119.907 1.5
PHE CE1 CZ  CE2 119.995 1.5
PHE CE1 CZ  HZ  120     1.5
PHE CE2 CZ  HZ  120     1.5

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
PHE chi1      N   CA  CB  CG  -60 10 3
PHE chi2      CA  CB  CG  CD1 90  10 6
PHE CONST_1   CB  CG  CD1 CE1 0   0  1
PHE CONST_2   CG  CD1 CE1 CZ  0   0  1
PHE CONST_3   CZ  CE2 CD2 CG  0   0  1
PHE CONST_4   CD1 CE1 CZ  CE2 0   0  1
PHE CONST_5   CE1 CZ  CE2 CD2 0   0  1
PHE sp3_sp3_1 C   CA  N   H   180 10 3
PHE const_21  CE2 CD2 CG  CD1 0   0  1
PHE sp2_sp3_1 O   C   CA  N   0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
PHE chir_1 CA N C CB positive

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
PHE plan-1 CB  0.02
PHE plan-1 CD1 0.02
PHE plan-1 CD2 0.02
PHE plan-1 CE1 0.02
PHE plan-1 CE2 0.02
PHE plan-1 CG  0.02
PHE plan-1 CZ  0.02
PHE plan-1 HD1 0.02
PHE plan-1 HD2 0.02
PHE plan-1 HE1 0.02
PHE plan-1 HE2 0.02
PHE plan-1 HZ  0.02
PHE plan-2 C   0.02
PHE plan-2 CA  0.02
PHE plan-2 O   0.02
PHE plan-2 OXT 0.02

data_ILE
_chem_comp.id                     ILE
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
ILE N    N NT3 1
ILE CA   C CH1 0
ILE C    C C   0
ILE O    O O   0
ILE CB   C CH1 0
ILE CG1  C CH2 0
ILE CG2  C CH3 0
ILE CD1  C CH3 0
ILE OXT  O OC  -1
ILE H    H H   0
ILE H2   H H   0
ILE H3   H H   0
ILE HA   H H   0
ILE HB   H H   0
ILE HG12 H H   0
ILE HG13 H H   0
ILE HG21 H H   0
ILE HG22 H H   0
ILE HG23 H H   0
ILE HD11 H H   0
ILE HD12 H H   0
ILE HD13 H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
ILE N   CA   single n 1.495 0.01   1.495 0.01
ILE CA  C    single n 1.538 0.01   1.538 0.01
ILE CA  CB   single n 1.54  0.0102 1.54  0.0102
ILE C   O    double n 1.251 0.0183 1.251 0.0183
ILE C   OXT  single n 1.251 0.0183 1.251 0.0183
ILE CB  CG1  single n 1.529 0.02   1.529 0.02
ILE CB  CG2  single n 1.529 0.0119 1.529 0.0119
ILE CG1 CD1  single n 1.518 0.0129 1.518 0.0129
ILE N   H    single n 0.902 0.0102 1.018 0.052
ILE N   H2   single n 0.902 0.0102 1.018 0.052
ILE N   H3   single n 0.902 0.0102 1.018 0.052
ILE CA  HA   single n 0.977 0.02   1.092 0.01
ILE CB  HB   single n 0.978 0.0189 1.092 0.01
ILE CG1 HG12 single n 0.979 0.0127 1.092 0.01
ILE CG1 HG13 single n 0.979 0.0127 1.092 0.01
ILE CG2 HG21 single n 0.972 0.0156 1.092 0.01
ILE CG2 HG22 single n 0.972 0.0156 1.092 0.01
ILE CG2 HG23 single n 0.972 0.0156 1.092 0.01
ILE CD1 HD11 single n 0.976 0.014  1.092 0.01
ILE CD1 HD12 single n 0.976 0.014  1.092 0.01
ILE CD1 HD13 single n 0.976 0.014  1.092 0.01

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
ILE CA   N   H    109.99  2.8
ILE CA   N   H2   109.99  2.8
ILE CA   N   H3   109.99  2.8
ILE H    N   H2   109.032 3
ILE H    N   H3   109.032 3
ILE H2   N   H3   109.032 3
ILE N    CA  C    108.738 1.5
ILE N    CA  CB   110.837 1.5
ILE N    CA  HA   108.328 1.5
ILE C    CA  CB   111.703 1.5
ILE C    CA  HA   108.55  1.5
ILE CB   CA  HA   108.373 1.5
ILE CA   C   O    117.155 1.5
ILE CA   C   OXT  117.155 1.5
ILE O    C   OXT  125.69  1.5
ILE CA   CB  CG1  111.638 1.5
ILE CA   CB  CG2  110.951 1.5
ILE CA   CB  HB   107.422 1.5
ILE CG1  CB  CG2  111.728 1.5
ILE CG1  CB  HB   107.389 1.5
ILE CG2  CB  HB   107.597 1.5
ILE CB   CG1 CD1  114.066 1.5
ILE CB   CG1 HG12 108.686 1.5
ILE CB   CG1 HG13 108.686 1.5
ILE CD1  CG1 HG12 108.722 1.5
ILE CD1  CG1 HG13 108.722 1.5
ILE HG12 CG1 HG13 107.774 1.5
ILE CB   CG2 HG21 109.633 1.5
ILE CB   CG2 HG22 109.633 1.5
ILE CB   CG2 HG23 109.633 1.5
ILE HG21 CG2 HG22 109.39  1.5
ILE HG21 CG2 HG23 109.39  1.5
ILE HG22 CG2 HG23 109.39  1.5
ILE CG1  CD1 HD11 109.644 2.81
ILE CG1  CD1 HD12 109.644 2.81
ILE CG1  CD1 HD13 109.644 2.81
ILE HD11 CD1 HD12 109.381 1.5
ILE HD11 CD1 HD13 109.381 1.5
ILE HD12 CD1 HD13 109.381 1.5

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
ILE chi1      N  CA  CB  CG2  -60 10 3
ILE chi2      CA CB  CG1 CD1  180 10 3
ILE hh1       CA CB  CG2 HG23 -60 10 3
ILE hh2       CB CG1 CD1 HD13 60  10 3
ILE sp3_sp3_1 C  CA  N   H    180 10 3
ILE sp2_sp3_1 O  C   CA  N    0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
ILE chir_1 CA N  C   CB  positive
ILE chir_2 CB CA CG1 CG2 positive

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
ILE plan-1 C   0.02
ILE plan-1 CA  0.02
ILE plan-1 O   0.02
ILE plan-1 OXT 0.02

data_VAL
_chem_comp.id                     VAL
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
VAL N    N NT3 1
VAL CA   C CH1 0
VAL C    C C   0
VAL O    O O   0
VAL CB   C CH1 0
VAL CG1  C CH3 0
VAL CG2  C CH3 0
VAL OXT  O OC  -1
VAL H    H H   0
VAL H2   H H   0
VAL H3   H H   0
VAL HA   H H   0
VAL HB   H H   0
VAL HG11 H H   0
VAL HG12 H H   0
VAL HG13 H H   0
VAL HG21 H H   0
VAL HG22 H H   0
VAL HG23 H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
VAL N   CA   single n 1.495 0.01   1.495 0.01
VAL CA  C    single n 1.538 0.01   1.538 0.01
VAL CA  CB   single n 1.541 0.0101 1.541 0.0101
VAL C   O    double n 1.251 0.0183 1.251 0.0183
VAL C   OXT  single n 1.251 0.0183 1.251 0.0183
VAL CB  CG1  single n 1.524 0.0131 1.524 0.0131
VAL CB  CG2  single n 1.524 0.0131 1.524 0.0131
VAL N   H    single n 0.902 0.0102 1.018 0.052
VAL N   H2   single n 0.902 0.0102 1.018 0.052
VAL N   H3   single n 0.902 0.0102 1.018 0.052
VAL CA  HA   single n 0.977 0.02   1.092 0.01
VAL CB  HB   single n 0.986 0.0184 1.092 0.01
VAL CG1 HG11 single n 0.972 0.0156 1.092 0.01
VAL CG1 HG12 single n 0.972 0.0156 1.092 0.01
VAL CG1 HG13 single n 0.972 0.0156 1.092 0.01
VAL CG2 HG21 single n 0.972 0.0156 1.092 0.01
VAL CG2 HG22 single n 0.972 0.0156 1.092 0.01
VAL CG2 HG23 single n 0.972 0.0156 1.092 0.01

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
VAL CA   N   H    109.99  2.8
VAL CA   N   H2   109.99  2.8
VAL CA   N   H3   109.99  2.8
VAL H    N   H2   109.032 3
VAL H    N   H3   109.032 3
VAL H2   N   H3   109.032 3
VAL N    CA  C    108.738 1.5
VAL N    CA  CB   111.627 2.88
VAL N    CA  HA   108.328 1.5
VAL C    CA  CB   111.231 1.5
VAL C    CA  HA   108.55  1.5
VAL CB   CA  HA   108.536 1.5
VAL CA   C   O    117.155 1.5
VAL CA   C   OXT  117.155 1.5
VAL O    C   OXT  125.69  1.5
VAL CA   CB  CG1  111.834 1.5
VAL CA   CB  CG2  111.834 1.5
VAL CA   CB  HB   107.069 1.5
VAL CG1  CB  CG2  110.7   1.76
VAL CG1  CB  HB   107.681 2.06
VAL CG2  CB  HB   107.681 2.06
VAL CB   CG1 HG11 109.51  1.5
VAL CB   CG1 HG12 109.51  1.5
VAL CB   CG1 HG13 109.51  1.5
VAL HG11 CG1 HG12 109.39  1.5
VAL HG11 CG1 HG13 109.39  1.5
VAL HG12 CG1 HG13 109.39  1.5
VAL CB   CG2 HG21 109.51  1.5
VAL CB   CG2 HG22 109.51  1.5
VAL CB   CG2 HG23 109.51  1.5
VAL HG21 CG2 HG22 109.39  1.5
VAL HG21 CG2 HG23 109.39  1.5
VAL HG22 CG2 HG23 109.39  1.5

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
VAL chi1      N  CA CB  CG2  -60 10 3
VAL hh1       CA CB CG1 HG13 180 10 3
VAL hh2       CA CB CG2 HG23 -60 10 3
VAL sp3_sp3_1 C  CA N   H    180 10 3
VAL sp2_sp3_1 O  C  CA  N    0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
VAL chir_1 CA N  C   CB  positive
VAL chir_2 CB CA CG1 CG2 both

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
VAL plan-1 C   0.02
VAL plan-1 CA  0.02
VAL plan-1 O   0.02
VAL plan-1 OXT 0.02

data_ASP
_chem_comp.id                     ASP
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
ASP N   N NT3 1
ASP CA  C CH1 0
ASP C   C C   0
ASP O   O O   0
ASP CB  C CH2 0
ASP CG  C C   0
ASP OD1 O O   0
ASP OD2 O OC  -1
ASP OXT O OC  -1
ASP H   H H   0
ASP H2  H H   0
ASP H3  H H   0
ASP HA  H H   0
ASP HB3 H H   0
ASP HB2 H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
ASP N  CA  single n 1.49  0.01   1.49  0.01
ASP CA C   single n 1.533 0.01   1.533 0.01
ASP CA CB  single n 1.521 0.01   1.521 0.01
ASP C  O   double n 1.251 0.0183 1.251 0.0183
ASP C  OXT single n 1.251 0.0183 1.251 0.0183
ASP CB CG  single n 1.522 0.01   1.522 0.01
ASP CG OD1 double n 1.249 0.0161 1.249 0.0161
ASP CG OD2 single n 1.249 0.0161 1.249 0.0161
ASP N  H   single n 0.902 0.0102 1.018 0.052
ASP N  H2  single n 0.902 0.0102 1.018 0.052
ASP N  H3  single n 0.902 0.0102 1.018 0.052
ASP CA HA  single n 0.984 0.02   1.092 0.01
ASP CB HB3 single n 0.98  0.0165 1.092 0.01
ASP CB HB2 single n 0.98  0.0165 1.092 0.01

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
ASP CA  N  H   109.99  3
ASP CA  N  H2  109.99  3
ASP CA  N  H3  109.99  3
ASP H   N  H2  109.032 3
ASP H   N  H3  109.032 3
ASP H2  N  H3  109.032 3
ASP N   CA C   109.258 1.5
ASP N   CA CB  111.4   1.5
ASP N   CA HA  108.387 1.58
ASP C   CA CB  112.421 3
ASP C   CA HA  108.774 1.79
ASP CB  CA HA  108.472 2.65
ASP CA  C  O   117.148 1.6
ASP CA  C  OXT 117.148 1.6
ASP O   C  OXT 125.704 1.5
ASP CA  CB CG  115.436 1.5
ASP CA  CB HB3 108.799 3
ASP CA  CB HB2 108.799 3
ASP CG  CB HB3 108.242 2.79
ASP CG  CB HB2 108.242 2.79
ASP HB3 CB HB2 107.976 2.66
ASP CB  CG OD1 117.985 1.5
ASP CB  CG OD2 117.985 1.5
ASP OD1 CG OD2 124.031 1.82

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
ASP chi1      N  CA CB CG  -60 10 3
ASP chi2      CA CB CG OD1 180 10 6
ASP sp3_sp3_1 C  CA N  H   180 10 3
ASP sp2_sp3_1 O  C  CA N   0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
ASP chir_1 CA N C CB positive

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
ASP plan-1 C   0.02
ASP plan-1 CA  0.02
ASP plan-1 O   0.02
ASP plan-1 OXT 0.02
ASP plan-2 CB  0.02
ASP plan-2 CG  0.02
ASP plan-2 OD1 0.02
ASP plan-2 OD2 0.02

data_SER
_chem_comp.id                     SER
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
SER N   N NT3 1
SER CA  C CH1 0
SER C   C C   0
SER O   O O   0
SER CB  C CH2 0
SER OG  O OH1 0
SER OXT O OC  -1
SER H   H H   0
SER H2  H H   0
SER H3  H H   0
SER HA  H H   0
SER HB3 H H   0
SER HB2 H H   0
SER HG  H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
SER N  CA  single n 1.487 0.01   1.487 0.01
SER CA C   single n 1.536 0.01   1.536 0.01
SER CA CB  single n 1.508 0.019  1.508 0.019
SER C  O   double n 1.251 0.0183 1.251 0.0183
SER C  OXT single n 1.251 0.0183 1.251 0.0183
SER CB OG  single n 1.421 0.0108 1.421 0.0108
SER N  H   single n 0.902 0.0102 1.018 0.052
SER N  H2  single n 0.902 0.0102 1.018 0.052
SER N  H3  single n 0.902 0.0102 1.018 0.052
SER CA HA  single n 0.991 0.02   1.092 0.01
SER CB HB3 single n 0.976 0.018  1.092 0.01
SER CB HB2 single n 0.976 0.018  1.092 0.01
SER OG HG  single n 0.846 0.02   0.972 0.018

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
SER CA  N  H   109.696 3
SER CA  N  H2  109.696 3
SER CA  N  H3  109.696 3
SER H   N  H2  109.032 3
SER H   N  H3  109.032 3
SER H2  N  H3  109.032 3
SER N   CA C   109.839 1.5
SER N   CA CB  111.152 1.5
SER N   CA HA  108.129 1.5
SER C   CA CB  111.3   1.5
SER C   CA HA  108.235 1.5
SER CB  CA HA  108.445 1.5
SER CA  C  O   117.199 1.5
SER CA  C  OXT 117.189 1.5
SER O   C  OXT 125.593 1.5
SER CA  CB OG  110.934 1.86
SER CA  CB HB3 109.238 1.5
SER CA  CB HB2 109.238 1.5
SER OG  CB HB3 109.353 1.5
SER OG  CB HB2 109.353 1.5
SER HB3 CB HB2 108.095 1.88
SER CB  OG HG  108.539 3

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
SER chi1      N  CA CB OG -60 10 3
SER hh1       CA CB OG HG 180 10 3
SER sp3_sp3_1 C  CA N  H  180 10 3
SER sp2_sp3_1 O  C  CA N  0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
SER chir_1 CA N C CB positive

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
SER plan-1 C   0.02
SER plan-1 CA  0.02
SER plan-1 O   0.02
SER plan-1 OXT 0.02

data_LYS
_chem_comp.id                     LYS
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
LYS N   N NT3 1
LYS CA  C CH1 0
LYS C   C C   0
LYS O   O O   0
LYS CB  C CH2 0
LYS CG  C CH2 0
LYS CD  C CH2 0
LYS CE  C CH2 0
LYS NZ  N NT3 1
LYS OXT O OC  -1
LYS H   H H   0
LYS H2  H H   0
LYS H3  H H   0
LYS HA  H H   0
LYS HB3 H H   0
LYS HB2 H H   0
LYS HG3 H H   0
LYS HG2 H H   0
LYS HD3 H H   0
LYS HD2 H H   0
LYS HE3 H H   0
LYS HE2 H H   0
LYS HZ1 H H   0
LYS HZ2 H H   0
LYS HZ3 H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
LYS N  CA  single n 1.487 0.01   1.487 0.01
LYS CA C   single n 1.538 0.0113 1.538 0.0113
LYS CA CB  single n 1.533 0.01   1.533 0.01
LYS C  O   double n 1.251 0.0183 1.251 0.0183
LYS C  OXT single n 1.251 0.0183 1.251 0.0183
LYS CB CG  single n 1.523 0.0189 1.523 0.0189
LYS CG CD  single n 1.524 0.0122 1.524 0.0122
LYS CD CE  single n 1.496 0.02   1.496 0.02
LYS CE NZ  single n 1.465 0.013  1.465 0.013
LYS N  H   single n 0.902 0.0102 1.018 0.052
LYS N  H2  single n 0.902 0.0102 1.018 0.052
LYS N  H3  single n 0.902 0.0102 1.018 0.052
LYS CA HA  single n 0.991 0.02   1.092 0.01
LYS CB HB3 single n 0.981 0.0141 1.092 0.01
LYS CB HB2 single n 0.981 0.0141 1.092 0.01
LYS CG HG3 single n 0.982 0.0163 1.092 0.01
LYS CG HG2 single n 0.982 0.0163 1.092 0.01
LYS CD HD3 single n 0.982 0.0163 1.092 0.01
LYS CD HD2 single n 0.982 0.0163 1.092 0.01
LYS CE HE3 single n 0.974 0.0147 1.092 0.01
LYS CE HE2 single n 0.974 0.0147 1.092 0.01
LYS NZ HZ1 single n 0.906 0.02   1.018 0.052
LYS NZ HZ2 single n 0.906 0.02   1.018 0.052
LYS NZ HZ3 single n 0.906 0.02   1.018 0.052

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
LYS CA  N  H   109.99  3
LYS CA  N  H2  109.99  3
LYS CA  N  H3  109.99  3
LYS H   N  H2  109.032 3
LYS H   N  H3  109.032 3
LYS H2  N  H3  109.032 3
LYS N   CA C   109.258 1.5
LYS N   CA CB  110.44  2.46
LYS N   CA HA  108.387 1.58
LYS C   CA CB  111.059 3
LYS C   CA HA  108.774 1.79
LYS CB  CA HA  109.08  2.33
LYS CA  C  O   117.148 1.6
LYS CA  C  OXT 117.148 1.6
LYS O   C  OXT 125.704 1.5
LYS CA  CB CG  115.148 2.35
LYS CA  CB HB3 108.677 1.74
LYS CA  CB HB2 108.677 1.74
LYS CG  CB HB3 108.413 1.5
LYS CG  CB HB2 108.413 1.5
LYS HB3 CB HB2 107.655 1.5
LYS CB  CG CD  113.403 3
LYS CB  CG HG3 108.381 1.5
LYS CB  CG HG2 108.381 1.5
LYS CD  CG HG3 108.819 1.5
LYS CD  CG HG2 108.819 1.5
LYS HG3 CG HG2 107.566 1.82
LYS CG  CD CE  112.541 3
LYS CG  CD HD3 108.993 1.92
LYS CG  CD HD2 108.993 1.92
LYS CE  CD HD3 109.016 1.5
LYS CE  CD HD2 109.016 1.5
LYS HD3 CD HD2 107.958 2.23
LYS CD  CE NZ  111.716 3
LYS CD  CE HE3 109.468 2.65
LYS CD  CE HE2 109.468 2.65
LYS NZ  CE HE3 108.972 2.23
LYS NZ  CE HE2 108.972 2.23
LYS HE3 CE HE2 108.144 2.57
LYS CE  NZ HZ1 109.659 3
LYS CE  NZ HZ2 109.659 3
LYS CE  NZ HZ3 109.659 3
LYS HZ1 NZ HZ2 109.089 3
LYS HZ1 NZ HZ3 109.089 3
LYS HZ2 NZ HZ3 109.089 3

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
LYS chi1      N  CA CB CG  -60 10 3
LYS chi2      CA CB CG CD  180 10 3
LYS chi3      CB CG CD CE  180 10 3
LYS chi4      CG CD CE NZ  180 10 3
LYS hh1       CD CE NZ HZ3 180 10 3
LYS sp3_sp3_1 C  CA N  H   180 10 3
LYS sp2_sp3_1 O  C  CA N   0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
LYS chir_1 CA N C CB positive

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
LYS plan-1 C   0.02
LYS plan-1 CA  0.02
LYS plan-1 O   0.02
LYS plan-1 OXT 0.02

data_THR
_chem_comp.id                     THR
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
THR N    N NT3 1
THR CA   C CH1 0
THR C    C C   0
THR O    O O   0
THR CB   C CH1 0
THR OG1  O OH1 0
THR CG2  C CH3 0
THR OXT  O OC  -1
THR H    H H   0
THR H2   H H   0
THR H3   H H   0
THR HA   H H   0
THR HB   H H   0
THR HG1  H H   0
THR HG21 H H   0
THR HG22 H H   0
THR HG23 H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
THR N   CA   single n 1.48  0.0122 1.48  0.0122
THR CA  C    single n 1.515 0.0129 1.515 0.0129
THR CA  CB   single n 1.528 0.01   1.528 0.01
THR C   O    double n 1.251 0.0183 1.251 0.0183
THR C   OXT  single n 1.251 0.0183 1.251 0.0183
THR CB  OG1  single n 1.424 0.01   1.424 0.01
THR CB  CG2  single n 1.518 0.01   1.518 0.01
THR N   H    single n 0.902 0.0102 1.018 0.052
THR N   H2   single n 0.902 0.0102 1.018 0.052
THR N   H3   single n 0.902 0.0102 1.018 0.052
THR CA  HA   single n 0.982 0.02   1.092 0.01
THR CB  HB   single n 0.987 0.01   1.092 0.01
THR OG1 HG1  single n 0.864 0.02   0.972 0.018
THR CG2 HG21 single n 0.972 0.0156 1.092 0.01
THR CG2 HG22 single n 0.972 0.0156 1.092 0.01
THR CG2 HG23 single n 0.972 0.0156 1.092 0.01

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
THR CA   N   H    109.577 1.5
THR CA   N   H2   109.577 1.5
THR CA   N   H3   109.577 1.5
THR H    N   H2   109.032 3
THR H    N   H3   109.032 3
THR H2   N   H3   109.032 3
THR N    CA  C    109.121 1.5
THR N    CA  CB   109.645 1.84
THR N    CA  HA   108.639 1.5
THR C    CA  CB   111.778 1.58
THR C    CA  HA   109.055 1.5
THR CB   CA  HA   108.87  1.5
THR CA   C   O    117.098 1.5
THR CA   C   OXT  117.098 1.5
THR O    C   OXT  125.804 1.5
THR CA   CB  OG1  105.245 3
THR CA   CB  CG2  112.544 1.5
THR CA   CB  HB   109.595 2.39
THR OG1  CB  CG2  109.974 3
THR OG1  CB  HB   109.323 1.86
THR CG2  CB  HB   109.17  2.61
THR CB   OG1 HG1  109.544 3
THR CB   CG2 HG21 109.532 1.5
THR CB   CG2 HG22 109.532 1.5
THR CB   CG2 HG23 109.532 1.5
THR HG21 CG2 HG22 109.425 1.5
THR HG21 CG2 HG23 109.425 1.5
THR HG22 CG2 HG23 109.425 1.5

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
THR chi1      N  CA CB  CG2  -60 10 3
THR hh1       CA CB OG1 HG1  -60 10 3
THR hh2       CA CB CG2 HG23 -60 10 3
THR sp3_sp3_1 C  CA N   H    180 10 3
THR sp2_sp3_1 O  C  CA  N    0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
THR chir_1 CA N   C  CB  positive
THR chir_2 CB OG1 CA CG2 negative

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
THR plan-1 C   0.02
THR plan-1 CA  0.02
THR plan-1 O   0.02
THR plan-1 OXT 0.02

data_GLU
_chem_comp.id                     GLU
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
GLU N   N NT3 1
GLU CA  C CH1 0
GLU C   C C   0
GLU O   O O   0
GLU CB  C CH2 0
GLU CG  C CH2 0
GLU CD  C C   0
GLU OE1 O O   0
GLU OE2 O OC  -1
GLU OXT O OC  -1
GLU H   H H   0
GLU H2  H H   0
GLU H3  H H   0
GLU HA  H H   0
GLU HB3 H H   0
GLU HB2 H H   0
GLU HG3 H H   0
GLU HG2 H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
GLU N  CA  single n 1.487 0.01   1.487 0.01
GLU CA C   single n 1.538 0.0113 1.538 0.0113
GLU CA CB  single n 1.529 0.01   1.529 0.01
GLU C  O   double n 1.251 0.0183 1.251 0.0183
GLU C  OXT single n 1.251 0.0183 1.251 0.0183
GLU CB CG  single n 1.526 0.01   1.526 0.01
GLU CG CD  single n 1.518 0.0135 1.518 0.0135
GLU CD OE1 double n 1.249 0.0161 1.249 0.0161
GLU CD OE2 single n 1.249 0.0161 1.249 0.0161
GLU N  H   single n 0.902 0.0102 1.018 0.052
GLU N  H2  single n 0.902 0.0102 1.018 0.052
GLU N  H3  single n 0.902 0.0102 1.018 0.052
GLU CA HA  single n 0.991 0.02   1.092 0.01
GLU CB HB3 single n 0.98  0.0168 1.092 0.01
GLU CB HB2 single n 0.98  0.0168 1.092 0.01
GLU CG HG3 single n 0.981 0.0172 1.092 0.01
GLU CG HG2 single n 0.981 0.0172 1.092 0.01

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
GLU CA  N  H   109.99  3
GLU CA  N  H2  109.99  3
GLU CA  N  H3  109.99  3
GLU H   N  H2  109.032 3
GLU H   N  H3  109.032 3
GLU H2  N  H3  109.032 3
GLU N   CA C   109.258 1.5
GLU N   CA CB  110.44  2.46
GLU N   CA HA  108.387 1.58
GLU C   CA CB  111.059 3
GLU C   CA HA  108.774 1.79
GLU CB  CA HA  109.08  2.33
GLU CA  C  O   117.148 1.6
GLU CA  C  OXT 117.148 1.6
GLU O   C  OXT 125.704 1.5
GLU CA  CB CG  113.294 1.61
GLU CA  CB HB3 108.677 1.74
GLU CA  CB HB2 108.677 1.74
GLU CG  CB HB3 108.696 2.8
GLU CG  CB HB2 108.696 2.8
GLU HB3 CB HB2 107.655 1.5
GLU CB  CG CD  114.14  3
GLU CB  CG HG3 108.968 1.5
GLU CB  CG HG2 108.968 1.5
GLU CD  CG HG3 108.472 1.5
GLU CD  CG HG2 108.472 1.5
GLU HG3 CG HG2 107.541 1.92
GLU CG  CD OE1 118.251 3
GLU CG  CD OE2 118.251 3
GLU OE1 CD OE2 123.498 1.82

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
GLU chi1      N  CA CB CG  -60 10 3
GLU chi2      CA CB CG CD  180 10 3
GLU chi3      CB CG CD OE1 180 10 6
GLU sp3_sp3_1 C  CA N  H   180 10 3
GLU sp2_sp3_1 O  C  CA N   0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
GLU chir_1 CA N C CB positive

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
GLU plan-1 C   0.02
GLU plan-1 CA  0.02
GLU plan-1 O   0.02
GLU plan-1 OXT 0.02
GLU plan-2 CD  0.02
GLU plan-2 CG  0.02
GLU plan-2 OE1 0.02
GLU plan-2 OE2 0.02

data_ALA
_chem_comp.id                     ALA
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
ALA N   N NT3 1
ALA CA  C CH1 0
ALA C   C C   0
ALA O   O O   0
ALA CB  C CH3 0
ALA OXT O OC  -1
ALA H   H H   0
ALA H2  H H   0
ALA H3  H H   0
ALA HA  H H   0
ALA HB3 H H   0
ALA HB2 H H   0
ALA HB1 H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
ALA N  CA  single n 1.483 0.01   1.483 0.01
ALA CA C   single n 1.531 0.01   1.531 0.01
ALA CA CB  single n 1.513 0.0158 1.513 0.0158
ALA C  O   double n 1.251 0.0183 1.251 0.0183
ALA C  OXT single n 1.251 0.0183 1.251 0.0183
ALA N  H   single n 0.902 0.0102 1.018 0.052
ALA N  H2  single n 0.902 0.0102 1.018 0.052
ALA N  H3  single n 0.902 0.0102 1.018 0.052
ALA CA HA  single n 0.997 0.02   1.092 0.01
ALA CB HB3 single n 0.972 0.0148 1.092 0.01
ALA CB HB2 single n 0.972 0.0148 1.092 0.01
ALA CB HB1 single n 0.972 0.0148 1.092 0.01

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
ALA CA  N  H   109.611 2.03
ALA CA  N  H2  109.611 2.03
ALA CA  N  H3  109.611 2.03
ALA H   N  H2  109.032 3
ALA H   N  H3  109.032 3
ALA H2  N  H3  109.032 3
ALA N   CA C   109.72  1.5
ALA N   CA CB  109.927 1.5
ALA N   CA HA  108.247 1.5
ALA C   CA CB  111.515 1.5
ALA C   CA HA  108.267 1.5
ALA CB  CA HA  109.172 1.57
ALA CA  C  O   117.191 2.33
ALA CA  C  OXT 117.191 2.33
ALA O   C  OXT 125.618 1.5
ALA CA  CB HB3 109.742 1.5
ALA CA  CB HB2 109.742 1.5
ALA CA  CB HB1 109.742 1.5
ALA HB3 CB HB2 109.365 1.6
ALA HB3 CB HB1 109.365 1.6
ALA HB2 CB HB1 109.365 1.6

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
ALA hh1       N CA CB HB3 180 10 3
ALA sp3_sp3_1 C CA N  H   180 10 3
ALA sp2_sp3_1 O C  CA N   0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
ALA chir_1 CA N C CB positive

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
ALA plan-1 C   0.02
ALA plan-1 CA  0.02
ALA plan-1 O   0.02
ALA plan-1 OXT 0.02

data_GLY
_chem_comp.id                     GLY
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
GLY N   N NT3 1
GLY CA  C CH2 0
GLY C   C C   0
GLY O   O O   0
GLY OXT O OC  -1
GLY H   H H   0
GLY H2  H H   0
GLY H3  H H   0
GLY HA3 H H   0
GLY HA2 H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
GLY N  CA  single n 1.476 0.0106 1.476 0.0106
GLY CA C   single n 1.517 0.0121 1.517 0.0121
GLY C  O   double n 1.249 0.0161 1.249 0.0161
GLY C  OXT single n 1.249 0.0161 1.249 0.0161
GLY N  H   single n 0.905 0.02   1.018 0.052
GLY N  H2  single n 0.905 0.02   1.018 0.052
GLY N  H3  single n 0.905 0.02   1.018 0.052
GLY CA HA3 single n 0.986 0.02   1.092 0.01
GLY CA HA2 single n 0.986 0.02   1.092 0.01

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
GLY CA  N  H   110.151 2.94
GLY CA  N  H2  110.151 2.94
GLY CA  N  H3  110.151 2.94
GLY H   N  H2  109.089 3
GLY H   N  H3  109.089 3
GLY H2  N  H3  109.089 3
GLY N   CA C   111.292 1.5
GLY N   CA HA3 109.172 1.5
GLY N   CA HA2 109.172 1.5
GLY C   CA HA3 109.62  1.5
GLY C   CA HA2 109.62  1.5
GLY HA3 CA HA2 108.054 1.5
GLY CA  C  O   117.08  1.5
GLY CA  C  OXT 117.08  1.5
GLY O   C  OXT 125.839 1.5

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
GLY sp3_sp3_1 C CA N  H   180 10 3
GLY sp2_sp3_1 O C  CA HA3 0   10 6

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
GLY plan-1 C   0.02
GLY plan-1 CA  0.02
GLY plan-1 O   0.02
GLY plan-1 OXT 0.02

data_ASN
_chem_comp.id                     ASN
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
ASN N    N NT3 1
ASN CA   C CH1 0
ASN C    C C   0
ASN O    O O   0
ASN CB   C CH2 0
ASN CG   C C   0
ASN OD1  O O   0
ASN ND2  N NH2 0
ASN OXT  O OC  -1
ASN H    H H   0
ASN H2   H H   0
ASN H3   H H   0
ASN HA   H H   0
ASN HB3  H H   0
ASN HB2  H H   0
ASN HD21 H H   0
ASN HD22 H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
ASN N   CA   single n 1.49  0.01   1.49  0.01
ASN CA  C    single n 1.533 0.01   1.533 0.01
ASN CA  CB   single n 1.525 0.01   1.525 0.01
ASN C   O    double n 1.251 0.0183 1.251 0.0183
ASN C   OXT  single n 1.251 0.0183 1.251 0.0183
ASN CB  CG   single n 1.51  0.01   1.51  0.01
ASN CG  OD1  double n 1.236 0.01   1.236 0.01
ASN CG  ND2  single n 1.325 0.01   1.325 0.01
ASN N   H    single n 0.902 0.0102 1.018 0.052
ASN N   H2   single n 0.902 0.0102 1.018 0.052
ASN N   H3   single n 0.902 0.0102 1.018 0.052
ASN CA  HA   single n 0.984 0.02   1.092 0.01
ASN CB  HB3  single n 0.978 0.0143 1.092 0.01
ASN CB  HB2  single n 0.978 0.0143 1.092 0.01
ASN ND2 HD21 single n 0.887 0.02   1.013 0.012
ASN ND2 HD22 single n 0.887 0.02   1.013 0.012

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
ASN CA   N   H    109.99  3
ASN CA   N   H2   109.99  3
ASN CA   N   H3   109.99  3
ASN H    N   H2   109.032 3
ASN H    N   H3   109.032 3
ASN H2   N   H3   109.032 3
ASN N    CA  C    109.258 1.5
ASN N    CA  CB   111.558 1.5
ASN N    CA  HA   108.387 1.58
ASN C    CA  CB   111.904 3
ASN C    CA  HA   108.774 1.79
ASN CB   CA  HA   107.748 1.5
ASN CA   C   O    117.148 1.6
ASN CA   C   OXT  117.148 1.6
ASN O    C   OXT  125.704 1.5
ASN CA   CB  CG   112.193 1.5
ASN CA   CB  HB3  109.177 1.5
ASN CA   CB  HB2  109.177 1.5
ASN CG   CB  HB3  109.132 1.5
ASN CG   CB  HB2  109.132 1.5
ASN HB3  CB  HB2  108.039 1.5
ASN CB   CG  OD1  120.239 1.5
ASN CB   CG  ND2  117.18  1.62
ASN OD1  CG  ND2  122.581 1.5
ASN CG   ND2 HD21 119.917 2.87
ASN CG   ND2 HD22 119.917 2.87
ASN HD21 ND2 HD22 120.165 3

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
ASN chi1      N  CA CB  CG   -60 10 3
ASN chi2      CA CB CG  ND2  180 10 6
ASN hh1       CB CG ND2 HD22 180 5  2
ASN sp3_sp3_1 C  CA N   H    180 10 3
ASN sp2_sp3_1 O  C  CA  N    0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
ASN chir_1 CA N C CB positive

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
ASN plan-1 C    0.02
ASN plan-1 CA   0.02
ASN plan-1 O    0.02
ASN plan-1 OXT  0.02
ASN plan-2 CB   0.02
ASN plan-2 CG   0.02
ASN plan-2 ND2  0.02
ASN plan-2 OD1  0.02
ASN plan-3 CG   0.02
ASN plan-3 HD21 0.02
ASN plan-3 HD22 0.02
ASN plan-3 ND2  0.02

data_TYR
_chem_comp.id                     TYR
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
TYR N   N NT3  1
TYR CA  C CH1  0
TYR C   C C    0
TYR O   O O    0
TYR CB  C CH2  0
TYR CG  C CR6  0
TYR CD1 C CR16 0
TYR CD2 C CR16 0
TYR CE1 C CR16 0
TYR CE2 C CR16 0
TYR CZ  C CR6  0
TYR OH  O OH1  0
TYR OXT O OC   -1
TYR H   H H    0
TYR H2  H H    0
TYR H3  H H    0
TYR HA  H H    0
TYR HB3 H H    0
TYR HB2 H H    0
TYR HD1 H H    0
TYR HD2 H H    0
TYR HE1 H H    0
TYR HE2 H H    0
TYR HH  H H    0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
TYR N   CA  single n 1.489 0.01   1.489 0.01
TYR CA  C   single n 1.531 0.0171 1.531 0.0171
TYR CA  CB  single n 1.532 0.01   1.532 0.01
TYR C   O   double n 1.251 0.0183 1.251 0.0183
TYR C   OXT single n 1.251 0.0183 1.251 0.0183
TYR CB  CG  single n 1.523 0.01   1.523 0.01
TYR CG  CD1 double y 1.39  0.0116 1.39  0.0116
TYR CG  CD2 single y 1.39  0.0116 1.39  0.0116
TYR CD1 CE1 single y 1.385 0.01   1.385 0.01
TYR CD2 CE2 double y 1.385 0.01   1.385 0.01
TYR CE1 CZ  double y 1.383 0.01   1.383 0.01
TYR CE2 CZ  single y 1.383 0.01   1.383 0.01
TYR CZ  OH  single n 1.365 0.0137 1.365 0.0137
TYR N   H   single n 0.902 0.0102 1.018 0.052
TYR N   H2  single n 0.902 0.0102 1.018 0.052
TYR N   H3  single n 0.902 0.0102 1.018 0.052
TYR CA  HA  single n 0.994 0.02   1.092 0.01
TYR CB  HB3 single n 0.983 0.0163 1.092 0.01
TYR CB  HB2 single n 0.983 0.0163 1.092 0.01
TYR CD1 HD1 single n 0.944 0.0143 1.085 0.015
TYR CD2 HD2 single n 0.944 0.0143 1.085 0.015
TYR CE1 HE1 single n 0.942 0.0174 1.085 0.015
TYR CE2 HE2 single n 0.942 0.0174 1.085 0.015
TYR OH  HH  single n 0.858 0.02   0.966 0.0059

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
TYR CA  N   H   109.791 3
TYR CA  N   H2  109.791 3
TYR CA  N   H3  109.791 3
TYR H   N   H2  109.032 3
TYR H   N   H3  109.032 3
TYR H2  N   H3  109.032 3
TYR N   CA  C   109.085 1.5
TYR N   CA  CB  109.965 3
TYR N   CA  HA  108.547 1.5
TYR C   CA  CB  111.98  3
TYR C   CA  HA  108.746 1.5
TYR CB  CA  HA  108.686 1.5
TYR CA  C   O   117.219 3
TYR CA  C   OXT 117.219 3
TYR O   C   OXT 125.562 1.5
TYR CA  CB  CG  114.693 2.05
TYR CA  CB  HB3 108.494 1.5
TYR CA  CB  HB2 108.494 1.5
TYR CG  CB  HB3 108.859 1.5
TYR CG  CB  HB2 108.859 1.5
TYR HB3 CB  HB2 107.843 2.16
TYR CB  CG  CD1 121.06  1.5
TYR CB  CG  CD2 121.06  1.5
TYR CD1 CG  CD2 117.879 1.5
TYR CG  CD1 CE1 121.468 1.5
TYR CG  CD1 HD1 119.327 1.5
TYR CE1 CD1 HD1 119.205 1.5
TYR CG  CD2 CE2 121.468 1.5
TYR CG  CD2 HD2 119.327 1.5
TYR CE2 CD2 HD2 119.205 1.5
TYR CD1 CE1 CZ  119.794 1.5
TYR CD1 CE1 HE1 120.177 1.5
TYR CZ  CE1 HE1 120.029 1.5
TYR CD2 CE2 CZ  119.794 1.5
TYR CD2 CE2 HE2 120.177 1.5
TYR CZ  CE2 HE2 120.029 1.5
TYR CE1 CZ  CE2 119.597 1.5
TYR CE1 CZ  OH  120.202 3
TYR CE2 CZ  OH  120.202 3
TYR CZ  OH  HH  109.97  3

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
TYR chi1      N   CA  CB  CG  -60 10 3
TYR chi2      CA  CB  CG  CD1 90  10 6
TYR CONST_1   CB  CG  CD1 CE1 0   0  1
TYR CONST_2   CG  CD1 CE1 CZ  0   0  1
TYR CONST_3   CZ  CE2 CD2 CG  0   0  1
TYR CONST_4   CD1 CE1 CZ  CE2 0   0  1
TYR CONST_5   CE1 CZ  CE2 CD2 0   0  1
TYR hh1       CE1 CZ  OH  HH  0   5  2
TYR sp3_sp3_1 C   CA  N   H   180 10 3
TYR const_21  CE2 CD2 CG  CD1 0   0  1
TYR sp2_sp3_1 O   C   CA  N   0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
TYR chir_1 CA N C CB positive

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
TYR plan-1 CB  0.02
TYR plan-1 CD1 0.02
TYR plan-1 CD2 0.02
TYR plan-1 CE1 0.02
TYR plan-1 CE2 0.02
TYR plan-1 CG  0.02
TYR plan-1 CZ  0.02
TYR plan-1 HD1 0.02
TYR plan-1 HD2 0.02
TYR plan-1 HE1 0.02
TYR plan-1 HE2 0.02
TYR plan-1 OH  0.02
TYR plan-2 C   0.02
TYR plan-2 CA  0.02
TYR plan-2 O   0.02
TYR plan-2 OXT 0.02

data_HIS
_chem_comp.id                     HIS
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
HIS N   N NT3  1
HIS CA  C CH1  0
HIS C   C C    0
HIS O   O O    0
HIS CB  C CH2  0
HIS CG  C CR5  0
HIS ND1 N NR15 1
HIS CD2 C CR15 0
HIS CE1 C CR15 0
HIS NE2 N NR15 0
HIS OXT O OC   -1
HIS H   H H    0
HIS H2  H H    0
HIS H3  H H    0
HIS HA  H H    0
HIS HB3 H H    0
HIS HB2 H H    0
HIS HD1 H H    0
HIS HD2 H H    0
HIS HE1 H H    0
HIS HE2 H H    0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
HIS N   CA  single n 1.489 0.01   1.489 0.01
HIS CA  C   single n 1.533 0.01   1.533 0.01
HIS CA  CB  single n 1.533 0.0104 1.533 0.0104
HIS C   O   double n 1.251 0.0183 1.251 0.0183
HIS C   OXT single n 1.251 0.0183 1.251 0.0183
HIS CB  CG  single n 1.493 0.0146 1.493 0.0146
HIS CG  ND1 single y 1.378 0.01   1.378 0.01
HIS CG  CD2 double y 1.338 0.0174 1.338 0.0174
HIS ND1 CE1 double y 1.326 0.0133 1.326 0.0133
HIS CD2 NE2 single y 1.371 0.0154 1.371 0.0154
HIS CE1 NE2 single y 1.316 0.0157 1.316 0.0157
HIS N   H   single n 0.902 0.0102 1.018 0.052
HIS N   H2  single n 0.902 0.0102 1.018 0.052
HIS N   H3  single n 0.902 0.0102 1.018 0.052
HIS CA  HA  single n 0.989 0.02   1.092 0.01
HIS CB  HB3 single n 0.982 0.0176 1.092 0.01
HIS CB  HB2 single n 0.982 0.0176 1.092 0.01
HIS ND1 HD1 single n 0.881 0.02   1.013 0.012
HIS CD2 HD2 single n 0.937 0.0104 1.085 0.015
HIS CE1 HE1 single n 0.942 0.02   1.085 0.015
HIS NE2 HE2 single n 0.877 0.02   1.013 0.012

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
HIS CA  N   H   109.992 2.14
HIS CA  N   H2  109.992 2.14
HIS CA  N   H3  109.992 2.14
HIS H   N   H2  109.032 3
HIS H   N   H3  109.032 3
HIS H2  N   H3  109.032 3
HIS N   CA  C   109.292 1.55
HIS N   CA  CB  110.573 1.5
HIS N   CA  HA  108.019 2.27
HIS C   CA  CB  111.874 3
HIS C   CA  HA  108.29  1.5
HIS CB  CA  HA  108.89  2.34
HIS CA  C   O   117.058 3
HIS CA  C   OXT 117.058 3
HIS O   C   OXT 125.883 1.5
HIS CA  CB  CG  113.931 1.83
HIS CA  CB  HB3 108.697 1.5
HIS CA  CB  HB2 108.697 1.5
HIS CG  CB  HB3 108.948 1.5
HIS CG  CB  HB2 108.948 1.5
HIS HB3 CB  HB2 107.846 2.68
HIS CB  CG  ND1 122.94  3
HIS CB  CG  CD2 131.173 3
HIS ND1 CG  CD2 105.887 1.5
HIS CG  ND1 CE1 109.313 1.5
HIS CG  ND1 HD1 125.337 2.6
HIS CE1 ND1 HD1 125.35  3
HIS CG  CD2 NE2 107.589 1.5
HIS CG  CD2 HD2 126.688 3
HIS NE2 CD2 HD2 125.723 3
HIS ND1 CE1 NE2 108.287 1.5
HIS ND1 CE1 HE1 125.729 2.42
HIS NE2 CE1 HE1 125.984 1.51
HIS CD2 NE2 CE1 108.93  1.5
HIS CD2 NE2 HE2 125.575 3
HIS CE1 NE2 HE2 125.489 3

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
HIS chi1            N   CA  CB  CG  -60 10 3
HIS chi2            CA  CB  CG  CD2 90  10 6
HIS sp3_sp3_1       C   CA  N   H   180 10 3
HIS const_17        NE2 CD2 CG  ND1 0   0  1
HIS const_13        CG  CD2 NE2 CE1 0   0  1
HIS const_sp2_sp2_5 NE2 CE1 ND1 CG  0   0  1
HIS const_sp2_sp2_9 ND1 CE1 NE2 CD2 0   0  1
HIS const_sp2_sp2_1 CD2 CG  ND1 CE1 0   0  1
HIS sp2_sp3_1       O   C   CA  N   0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
HIS chir_1 CA N C CB positive

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
HIS plan-1 CB  0.02
HIS plan-1 CD2 0.02
HIS plan-1 CE1 0.02
HIS plan-1 CG  0.02
HIS plan-1 HD1 0.02
HIS plan-1 HD2 0.02
HIS plan-1 HE1 0.02
HIS plan-1 HE2 0.02
HIS plan-1 ND1 0.02
HIS plan-1 NE2 0.02
HIS plan-2 C   0.02
HIS plan-2 CA  0.02
HIS plan-2 O   0.02
HIS plan-2 OXT 0.02

data_TRP
_chem_comp.id                     TRP
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
TRP N   N NT3  1
TRP CA  C CH1  0
TRP C   C C    0
TRP O   O O    0
TRP CB  C CH2  0
TRP CG  C CR5  0
TRP CD1 C CR15 0
TRP CD2 C CR56 0
TRP NE1 N NR15 0
TRP CE2 C CR56 0
TRP CE3 C CR16 0
TRP CZ2 C CR16 0
TRP CZ3 C CR16 0
TRP CH2 C CR16 0
TRP OXT O OC   -1
TRP H   H H    0
TRP H2  H H    0
TRP H3  H H    0
TRP HA  H H    0
TRP HB3 H H    0
TRP HB2 H H    0
TRP HD1 H H    0
TRP HE1 H H    0
TRP HE3 H H    0
TRP HZ2 H H    0
TRP HZ3 H H    0
TRP HH2 H H    0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
TRP N   CA  single n 1.486 0.01   1.486 0.01
TRP CA  C   single n 1.532 0.0129 1.532 0.0129
TRP CA  CB  single n 1.535 0.01   1.535 0.01
TRP C   O   double n 1.251 0.0183 1.251 0.0183
TRP C   OXT single n 1.251 0.0183 1.251 0.0183
TRP CB  CG  single n 1.506 0.01   1.506 0.01
TRP CG  CD1 double y 1.364 0.01   1.364 0.01
TRP CG  CD2 single y 1.445 0.01   1.445 0.01
TRP CD1 NE1 single y 1.369 0.01   1.369 0.01
TRP CD2 CE2 double y 1.412 0.01   1.412 0.01
TRP CD2 CE3 single y 1.399 0.01   1.399 0.01
TRP NE1 CE2 single y 1.37  0.01   1.37  0.01
TRP CE2 CZ2 single y 1.393 0.01   1.393 0.01
TRP CE3 CZ3 double y 1.377 0.01   1.377 0.01
TRP CZ2 CH2 double y 1.376 0.0101 1.376 0.0101
TRP CZ3 CH2 single y 1.394 0.012  1.394 0.012
TRP N   H   single n 0.902 0.0102 1.018 0.052
TRP N   H2  single n 0.902 0.0102 1.018 0.052
TRP N   H3  single n 0.902 0.0102 1.018 0.052
TRP CA  HA  single n 0.995 0.02   1.092 0.01
TRP CB  HB3 single n 0.981 0.01   1.092 0.01
TRP CB  HB2 single n 0.981 0.01   1.092 0.01
TRP CD1 HD1 single n 0.944 0.0195 1.085 0.015
TRP NE1 HE1 single n 0.873 0.02   1.013 0.012
TRP CE3 HE3 single n 0.942 0.0199 1.085 0.015
TRP CZ2 HZ2 single n 0.942 0.0181 1.085 0.015
TRP CZ3 HZ3 single n 0.943 0.0167 1.085 0.015
TRP CH2 HH2 single n 0.941 0.0176 1.085 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
TRP CA  N   H   109.786 3
TRP CA  N   H2  109.786 3
TRP CA  N   H3  109.786 3
TRP H   N   H2  109.032 3
TRP H   N   H3  109.032 3
TRP H2  N   H3  109.032 3
TRP N   CA  C   109.79  1.5
TRP N   CA  CB  110.346 1.5
TRP N   CA  HA  108.404 1.5
TRP C   CA  CB  111.156 1.5
TRP C   CA  HA  108.682 1.5
TRP CB  CA  HA  108.429 1.5
TRP CA  C   O   117.155 2.01
TRP CA  C   OXT 117.155 2.01
TRP O   C   OXT 125.691 1.5
TRP CA  CB  CG  113.87  1.5
TRP CA  CB  HB3 108.522 1.5
TRP CA  CB  HB2 108.522 1.5
TRP CG  CB  HB3 108.877 1.5
TRP CG  CB  HB2 108.877 1.5
TRP HB3 CB  HB2 107.959 3
TRP CB  CG  CD1 126.94  2.13
TRP CB  CG  CD2 126.837 1.66
TRP CD1 CG  CD2 106.223 1.5
TRP CG  CD1 NE1 110.303 1.5
TRP CG  CD1 HD1 125.325 2.99
TRP NE1 CD1 HD1 124.372 1.81
TRP CG  CD2 CE2 106.978 1.5
TRP CG  CD2 CE3 134.327 1.5
TRP CE2 CD2 CE3 118.695 1.5
TRP CD1 NE1 CE2 109.057 1.5
TRP CD1 NE1 HE1 125.366 3
TRP CE2 NE1 HE1 125.577 3
TRP CD2 CE2 NE1 107.438 1.5
TRP CD2 CE2 CZ2 122.273 1.5
TRP NE1 CE2 CZ2 130.289 1.5
TRP CD2 CE3 CZ3 118.811 1.5
TRP CD2 CE3 HE3 120.479 1.5
TRP CZ3 CE3 HE3 120.709 1.5
TRP CE2 CZ2 CH2 117.418 1.5
TRP CE2 CZ2 HZ2 121.196 1.5
TRP CH2 CZ2 HZ2 121.386 1.5
TRP CE3 CZ3 CH2 121.228 1.5
TRP CE3 CZ3 HZ3 119.424 1.5
TRP CH2 CZ3 HZ3 119.348 1.5
TRP CZ2 CH2 CZ3 121.574 1.5
TRP CZ2 CH2 HH2 119.154 1.5
TRP CZ3 CH2 HH2 119.272 1.5

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
TRP chi1      N   CA  CB  CG  -60 10 3
TRP chi2      CA  CB  CG  CD1 90  10 6
TRP CONST_1   CB  CG  CD1 NE1 0   0  1
TRP CONST_2   CG  CD1 NE1 CE2 0   0  1
TRP CONST_3   NE1 CE2 CD2 CE3 0   0  1
TRP CONST_4   CE2 CD2 CE3 CZ3 0   0  1
TRP CONST_5   CD1 NE1 CE2 CD2 0   0  1
TRP CONST_6   CD2 CE3 CZ3 CH2 0   0  1
TRP CONST_7   CZ3 CH2 CZ2 CE2 0   0  1
TRP CONST_8   CE3 CZ3 CH2 CZ2 0   0  1
TRP sp3_sp3_1 C   CA  N   H   180 10 3
TRP const_33  CE2 CD2 CG  CD1 0   0  1
TRP const_17  CD2 CE2 CZ2 CH2 0   0  1
TRP sp2_sp3_1 O   C   CA  N   0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
TRP chir_1 CA N C CB positive

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
TRP plan-1 CD2 0.02
TRP plan-1 CE2 0.02
TRP plan-1 CE3 0.02
TRP plan-1 CG  0.02
TRP plan-1 CH2 0.02
TRP plan-1 CZ2 0.02
TRP plan-1 CZ3 0.02
TRP plan-1 HE3 0.02
TRP plan-1 HH2 0.02
TRP plan-1 HZ2 0.02
TRP plan-1 HZ3 0.02
TRP plan-1 NE1 0.02
TRP plan-2 CB  0.02
TRP plan-2 CD1 0.02
TRP plan-2 CD2 0.02
TRP plan-2 CE2 0.02
TRP plan-2 CE3 0.02
TRP plan-2 CG  0.02
TRP plan-2 CZ2 0.02
TRP plan-2 HD1 0.02
TRP plan-2 HE1 0.02
TRP plan-2 NE1 0.02
TRP plan-3 C   0.02
TRP plan-3 CA  0.02
TRP plan-3 O   0.02
TRP plan-3 OXT 0.02

data_CYS
_chem_comp.id                     CYS
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
CYS N   N NT3  1
CYS CA  C CH1  0
CYS C   C C    0
CYS O   O O    0
CYS CB  C CH2  0
CYS SG  S SH1  0
CYS OXT O OC   -1
CYS H   H H    0
CYS H2  H H    0
CYS H3  H H    0
CYS HA  H H    0
CYS HB3 H H    0
CYS HB2 H H    0
CYS HG  H HSH1 0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
CYS N  CA  single n 1.487 0.01   1.487 0.01
CYS CA C   single n 1.538 0.0113 1.538 0.0113
CYS CA CB  single n 1.524 0.01   1.524 0.01
CYS C  O   double n 1.251 0.0183 1.251 0.0183
CYS C  OXT single n 1.251 0.0183 1.251 0.0183
CYS CB SG  single n 1.812 0.0101 1.812 0.0101
CYS N  H   single n 0.902 0.0102 1.018 0.052
CYS N  H2  single n 0.902 0.0102 1.018 0.052
CYS N  H3  single n 0.902 0.0102 1.018 0.052
CYS CA HA  single n 0.991 0.02   1.092 0.01
CYS CB HB3 single n 0.983 0.0131 1.092 0.01
CYS CB HB2 single n 0.983 0.0131 1.092 0.01
CYS SG HG  single n 1.212 0.02   1.338 0.01

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
CYS CA  N  H   109.684 2.12
CYS CA  N  H2  109.684 2.12
CYS CA  N  H3  109.684 2.12
CYS H   N  H2  109.032 3
CYS H   N  H3  109.032 3
CYS H2  N  H3  109.032 3
CYS N   CA C   109.504 1.5
CYS N   CA CB  110.927 1.5
CYS N   CA HA  107.886 1.5
CYS C   CA CB  110.126 3
CYS C   CA HA  108.362 1.5
CYS CB  CA HA  108.525 2.42
CYS CA  C  O   117.126 1.5
CYS CA  C  OXT 117.126 1.5
CYS O   C  OXT 125.747 1.5
CYS CA  CB SG  113.492 1.5
CYS CA  CB HB3 109.109 1.5
CYS CA  CB HB2 109.109 1.5
CYS SG  CB HB3 108.513 1.5
CYS SG  CB HB2 108.513 1.5
CYS HB3 CB HB2 107.963 1.5
CYS CB  SG HG  97.543  3

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
CYS chi1      N  CA CB SG -60 10 3
CYS chi2      CA CB SG HG 180 10 3
CYS sp3_sp3_1 C  CA N  H  180 10 3
CYS sp2_sp3_1 O  C  CA N  0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
CYS chir_1 CA N CB C negative

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
CYS plan-1 C   0.02
CYS plan-1 CA  0.02
CYS plan-1 O   0.02
CYS plan-1 OXT 0.02

data_LEU
_chem_comp.id                     LEU
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
LEU N    N NT3 1
LEU CA   C CH1 0
LEU C    C C   0
LEU O    O O   0
LEU CB   C CH2 0
LEU CG   C CH1 0
LEU CD1  C CH3 0
LEU CD2  C CH3 0
LEU OXT  O OC  -1
LEU H    H H   0
LEU H2   H H   0
LEU H3   H H   0
LEU HA   H H   0
LEU HB3  H H   0
LEU HB2  H H   0
LEU HG   H H   0
LEU HD11 H H   0
LEU HD12 H H   0
LEU HD13 H H   0
LEU HD21 H H   0
LEU HD22 H H   0
LEU HD23 H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
LEU N   CA   single n 1.487 0.01   1.487 0.01
LEU CA  C    single n 1.538 0.0113 1.538 0.0113
LEU CA  CB   single n 1.528 0.01   1.528 0.01
LEU C   O    double n 1.251 0.0183 1.251 0.0183
LEU C   OXT  single n 1.251 0.0183 1.251 0.0183
LEU CB  CG   single n 1.532 0.01   1.532 0.01
LEU CG  CD1  single n 1.519 0.02   1.519 0.02
LEU CG  CD2  single n 1.519 0.02   1.519 0.02
LEU N   H    single n 0.902 0.0102 1.018 0.052
LEU N   H2   single n 0.902 0.0102 1.018 0.052
LEU N   H3   single n 0.902 0.0102 1.018 0.052
LEU CA  HA   single n 0.991 0.02   1.092 0.01
LEU CB  HB3  single n 0.985 0.0129 1.092 0.01
LEU CB  HB2  single n 0.985 0.0129 1.092 0.01
LEU CG  HG   single n 0.992 0.0164 1.092 0.01
LEU CD1 HD11 single n 0.972 0.0156 1.092 0.01
LEU CD1 HD12 single n 0.972 0.0156 1.092 0.01
LEU CD1 HD13 single n 0.972 0.0156 1.092 0.01
LEU CD2 HD21 single n 0.972 0.0156 1.092 0.01
LEU CD2 HD22 single n 0.972 0.0156 1.092 0.01
LEU CD2 HD23 single n 0.972 0.0156 1.092 0.01

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
LEU CA   N   H    109.99  3
LEU CA   N   H2   109.99  3
LEU CA   N   H3   109.99  3
LEU H    N   H2   109.032 3
LEU H    N   H3   109.032 3
LEU H2   N   H3   109.032 3
LEU N    CA  C    109.258 1.5
LEU N    CA  CB   109.859 2.63
LEU N    CA  HA   108.387 1.58
LEU C    CA  CB   111.627 1.5
LEU C    CA  HA   108.774 1.79
LEU CB   CA  HA   109.261 1.5
LEU CA   C   O    117.148 1.6
LEU CA   C   OXT  117.148 1.6
LEU O    C   OXT  125.704 1.5
LEU CA   CB  CG   115.973 1.5
LEU CA   CB  HB3  108.172 1.5
LEU CA   CB  HB2  108.172 1.5
LEU CG   CB  HB3  108.39  1.5
LEU CG   CB  HB2  108.39  1.5
LEU HB3  CB  HB2  107.673 3
LEU CB   CG  CD1  110.898 3
LEU CB   CG  CD2  110.898 3
LEU CB   CG  HG   108.09  1.5
LEU CD1  CG  CD2  110.647 1.82
LEU CD1  CG  HG   107.962 1.81
LEU CD2  CG  HG   107.962 1.81
LEU CG   CD1 HD11 109.527 1.5
LEU CG   CD1 HD12 109.527 1.5
LEU CG   CD1 HD13 109.527 1.5
LEU HD11 CD1 HD12 109.39  1.5
LEU HD11 CD1 HD13 109.39  1.5
LEU HD12 CD1 HD13 109.39  1.5
LEU CG   CD2 HD21 109.527 1.5
LEU CG   CD2 HD22 109.527 1.5
LEU CG   CD2 HD23 109.527 1.5
LEU HD21 CD2 HD22 109.39  1.5
LEU HD21 CD2 HD23 109.39  1.5
LEU HD22 CD2 HD23 109.39  1.5

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
LEU chi1      N  CA CB  CG   -60 10 3
LEU chi2      CA CB CG  CD1  180 10 3
LEU hh1       CB CG CD1 HD13 60  10 3
LEU hh2       CB CG CD2 HD23 180 10 3
LEU sp3_sp3_1 C  CA N   H    180 10 3
LEU sp2_sp3_1 O  C  CA  N    0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
LEU chir_1 CA N  C   CB  positive
LEU chir_2 CG CB CD1 CD2 both

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
LEU plan-1 C   0.02
LEU plan-1 CA  0.02
LEU plan-1 O   0.02
LEU plan-1 OXT 0.02

data_PRO
_chem_comp.id                     PRO
_chem_comp.group                  P-peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
PRO N   N NT2 1
PRO CA  C CH1 0
PRO C   C C   0
PRO O   O O   0
PRO CB  C CH2 0
PRO CG  C CH2 0
PRO CD  C CH2 0
PRO OXT O OC  -1
PRO H   H H   0
PRO H2  H H   0
PRO HA  H H   0
PRO HB3 H H   0
PRO HB2 H H   0
PRO HG3 H H   0
PRO HG2 H H   0
PRO HD3 H H   0
PRO HD2 H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
PRO N  CA  single n 1.496 0.0142 1.496 0.0142
PRO N  CD  single n 1.499 0.0135 1.499 0.0135
PRO CA C   single n 1.525 0.0103 1.525 0.0103
PRO CA CB  single n 1.526 0.0157 1.526 0.0157
PRO C  O   double n 1.252 0.0117 1.252 0.0117
PRO C  OXT single n 1.252 0.0117 1.252 0.0117
PRO CB CG  single n 1.516 0.0179 1.516 0.0179
PRO CG CD  single n 1.497 0.02   1.497 0.02
PRO N  H   single n 0.91  0.02   1.018 0.052
PRO N  H2  single n 0.91  0.02   1.018 0.052
PRO CA HA  single n 0.98  0.02   1.092 0.01
PRO CB HB3 single n 0.977 0.0145 1.092 0.01
PRO CB HB2 single n 0.977 0.0145 1.092 0.01
PRO CG HG3 single n 0.978 0.0181 1.092 0.01
PRO CG HG2 single n 0.978 0.0181 1.092 0.01
PRO CD HD3 single n 0.977 0.0199 1.092 0.01
PRO CD HD2 single n 0.977 0.0199 1.092 0.01

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
PRO CA  N  CD  107.978 1.5
PRO CA  N  H   109.889 3
PRO CA  N  H2  109.889 3
PRO CD  N  H   110.257 3
PRO CD  N  H2  110.257 3
PRO H   N  H2  108.772 3
PRO N   CA C   110.397 1.5
PRO N   CA CB  103.994 1.5
PRO N   CA HA  109.579 1.5
PRO C   CA CB  113.159 3
PRO C   CA HA  109.687 1.5
PRO CB  CA HA  109.91  1.89
PRO CA  C  O   116.979 3
PRO CA  C  OXT 116.979 3
PRO O   C  OXT 126.043 1.52
PRO CA  CB CG  101.701 3
PRO CA  CB HB3 110.865 1.5
PRO CA  CB HB2 110.865 1.5
PRO CG  CB HB3 110.891 1.59
PRO CG  CB HB2 110.891 1.59
PRO HB3 CB HB2 108.88  2.25
PRO CB  CG CD  105.541 3
PRO CB  CG HG3 110.897 1.5
PRO CB  CG HG2 110.897 1.5
PRO CD  CG HG3 110.621 1.5
PRO CD  CG HG2 110.621 1.5
PRO HG3 CG HG2 108.871 1.5
PRO N   CD CG  104.386 2.3
PRO N   CD HD3 110.569 1.5
PRO N   CD HD2 110.569 1.5
PRO CG  CD HD3 111.131 1.62
PRO CG  CD HD2 111.131 1.62
PRO HD3 CD HD2 109.116 1.5

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
PRO chi1       N  CA CB CG -60 10 3
PRO chi2       CA CB CG CD 180 10 3
PRO sp3_sp3_1  CB CA N  CD 60  10 3
PRO sp3_sp3_28 N  CD CG CB -60 10 3
PRO sp3_sp3_37 CG CD N  CA 180 10 3
PRO sp2_sp3_1  O  C  CA N  0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
PRO chir_1 CA N C CB positive

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
PRO plan-1 C   0.02
PRO plan-1 CA  0.02
PRO plan-1 O   0.02
PRO plan-1 OXT 0.02

data_MET
_chem_comp.id                     MET
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
MET N   N NT3 1
MET CA  C CH1 0
MET C   C C   0
MET O   O O   0
MET CB  C CH2 0
MET CG  C CH2 0
MET SD  S S2  0
MET CE  C CH3 0
MET OXT O OC  -1
MET H   H H   0
MET H2  H H   0
MET H3  H H   0
MET HA  H H   0
MET HB3 H H   0
MET HB2 H H   0
MET HG3 H H   0
MET HG2 H H   0
MET HE3 H H   0
MET HE2 H H   0
MET HE1 H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
MET N  CA  single n 1.487 0.01   1.487 0.01
MET CA C   single n 1.538 0.0113 1.538 0.0113
MET CA CB  single n 1.533 0.01   1.533 0.01
MET C  O   double n 1.251 0.0183 1.251 0.0183
MET C  OXT single n 1.251 0.0183 1.251 0.0183
MET CB CG  single n 1.517 0.0186 1.517 0.0186
MET CG SD  single n 1.804 0.01   1.804 0.01
MET SD CE  single n 1.798 0.01   1.798 0.01
MET N  H   single n 0.902 0.0102 1.018 0.052
MET N  H2  single n 0.902 0.0102 1.018 0.052
MET N  H3  single n 0.902 0.0102 1.018 0.052
MET CA HA  single n 0.991 0.02   1.092 0.01
MET CB HB3 single n 0.981 0.0141 1.092 0.01
MET CB HB2 single n 0.981 0.0141 1.092 0.01
MET CG HG3 single n 0.978 0.02   1.092 0.01
MET CG HG2 single n 0.978 0.02   1.092 0.01
MET CE HE3 single n 0.975 0.011  1.092 0.01
MET CE HE2 single n 0.975 0.011  1.092 0.01
MET CE HE1 single n 0.975 0.011  1.092 0.01

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
MET CA  N  H   109.99  3
MET CA  N  H2  109.99  3
MET CA  N  H3  109.99  3
MET H   N  H2  109.032 3
MET H   N  H3  109.032 3
MET H2  N  H3  109.032 3
MET N   CA C   109.258 1.5
MET N   CA CB  110.97  1.5
MET N   CA HA  108.387 1.58
MET C   CA CB  109.608 2.17
MET C   CA HA  108.774 1.79
MET CB  CA HA  109.55  1.56
MET CA  C  O   117.148 1.6
MET CA  C  OXT 117.148 1.6
MET O   C  OXT 125.704 1.5
MET CA  CB CG  113.978 1.6
MET CA  CB HB3 108.606 1.5
MET CA  CB HB2 108.606 1.5
MET CG  CB HB3 108.93  1.5
MET CG  CB HB2 108.93  1.5
MET HB3 CB HB2 107.726 1.5
MET CB  CG SD  112.846 3
MET CB  CG HG3 109.287 1.5
MET CB  CG HG2 109.287 1.5
MET SD  CG HG3 108.733 1.5
MET SD  CG HG2 108.733 1.5
MET HG3 CG HG2 107.881 1.5
MET CG  SD CE  100.693 3
MET SD  CE HE3 109.472 1.5
MET SD  CE HE2 109.472 1.5
MET SD  CE HE1 109.472 1.5
MET HE3 CE HE2 109.569 2.44
MET HE3 CE HE1 109.569 2.44
MET HE2 CE HE1 109.569 2.44

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
MET chi1      N  CA CB CG  -60 10 3
MET chi2      CA CB CG SD  180 10 3
MET chi3      CB CG SD CE  180 10 3
MET hh1       CG SD CE HE3 60  10 3
MET sp3_sp3_1 C  CA N  H   180 10 3
MET sp2_sp3_1 O  C  CA N   0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
MET chir_1 CA N C CB positive

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
MET plan-1 C   0.02
MET plan-1 CA  0.02
MET plan-1 O   0.02
MET plan-1 OXT 0.02

data_ARG
_chem_comp.id                     ARG
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
ARG N    N NT3 1
ARG CA   C CH1 0
ARG C    C C   0
ARG O    O O   0
ARG CB   C CH2 0
ARG CG   C CH2 0
ARG CD   C CH2 0
ARG NE   N NC1 0
ARG CZ   C C   0
ARG NH1  N NC2 0
ARG NH2  N NC2 1
ARG OXT  O OC  -1
ARG H    H H   0
ARG H2   H H   0
ARG H3   H H   0
ARG HA   H H   0
ARG HB3  H H   0
ARG HB2  H H   0
ARG HG3  H H   0
ARG HG2  H H   0
ARG HD3  H H   0
ARG HD2  H H   0
ARG HE   H H   0
ARG HH11 H H   0
ARG HH12 H H   0
ARG HH21 H H   0
ARG HH22 H H   0

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.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
ARG N   CA   single n 1.487 0.01   1.487 0.01
ARG CA  C    single n 1.538 0.0113 1.538 0.0113
ARG CA  CB   single n 1.533 0.01   1.533 0.01
ARG C   O    double n 1.251 0.0183 1.251 0.0183
ARG C   OXT  single n 1.251 0.0183 1.251 0.0183
ARG CB  CG   single n 1.522 0.01   1.522 0.01
ARG CG  CD   single n 1.521 0.02   1.521 0.02
ARG CD  NE   single n 1.467 0.01   1.467 0.01
ARG NE  CZ   single n 1.327 0.0153 1.327 0.0153
ARG CZ  NH1  single n 1.321 0.0134 1.321 0.0134
ARG CZ  NH2  double n 1.321 0.0134 1.321 0.0134
ARG N   H    single n 0.902 0.0102 1.018 0.052
ARG N   H2   single n 0.902 0.0102 1.018 0.052
ARG N   H3   single n 0.902 0.0102 1.018 0.052
ARG CA  HA   single n 0.991 0.02   1.092 0.01
ARG CB  HB3  single n 0.981 0.0141 1.092 0.01
ARG CB  HB2  single n 0.981 0.0141 1.092 0.01
ARG CG  HG3  single n 0.982 0.0161 1.092 0.01
ARG CG  HG2  single n 0.982 0.0161 1.092 0.01
ARG CD  HD3  single n 0.979 0.0175 1.092 0.01
ARG CD  HD2  single n 0.979 0.0175 1.092 0.01
ARG NE  HE   single n 0.871 0.02   1.013 0.012
ARG NH1 HH11 single n 0.884 0.02   1.013 0.012
ARG NH1 HH12 single n 0.884 0.02   1.013 0.012
ARG NH2 HH21 single n 0.884 0.02   1.013 0.012
ARG NH2 HH22 single n 0.884 0.02   1.013 0.012

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
ARG CA   N   H    109.99  3
ARG CA   N   H2   109.99  3
ARG CA   N   H3   109.99  3
ARG H    N   H2   109.032 3
ARG H    N   H3   109.032 3
ARG H2   N   H3   109.032 3
ARG N    CA  C    109.258 1.5
ARG N    CA  CB   110.44  2.46
ARG N    CA  HA   108.387 1.58
ARG C    CA  CB   111.059 3
ARG C    CA  HA   108.774 1.79
ARG CB   CA  HA   109.08  2.33
ARG CA   C   O    117.148 1.6
ARG CA   C   OXT  117.148 1.6
ARG O    C   OXT  125.704 1.5
ARG CA   CB  CG   114.16  3
ARG CA   CB  HB3  108.677 1.74
ARG CA   CB  HB2  108.677 1.74
ARG CG   CB  HB3  108.721 1.5
ARG CG   CB  HB2  108.721 1.5
ARG HB3  CB  HB2  107.655 1.5
ARG CB   CG  CD   112.025 3
ARG CB   CG  HG3  109.216 1.64
ARG CB   CG  HG2  109.216 1.64
ARG CD   CG  HG3  108.991 1.5
ARG CD   CG  HG2  108.991 1.5
ARG HG3  CG  HG2  107.958 2.23
ARG CG   CD  NE   112.275 3
ARG CG   CD  HD3  109.172 2.35
ARG CG   CD  HD2  109.172 2.35
ARG NE   CD  HD3  109.193 1.5
ARG NE   CD  HD2  109.193 1.5
ARG HD3  CD  HD2  107.932 1.94
ARG CD   NE  CZ   124.614 2.32
ARG CD   NE  HE   117.935 2.37
ARG CZ   NE  HE   117.451 2.77
ARG NE   CZ  NH1  120.032 1.9
ARG NE   CZ  NH2  120.032 1.9
ARG NH1  CZ  NH2  119.937 1.95
ARG CZ   NH1 HH11 119.775 3
ARG CZ   NH1 HH12 119.775 3
ARG HH11 NH1 HH12 120.45  3
ARG CZ   NH2 HH21 119.775 3
ARG CZ   NH2 HH22 119.775 3
ARG HH21 NH2 HH22 120.45  3

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
ARG chi1      N  CA CB  CG   -60 10 3
ARG chi2      CA CB CG  CD   180 10 3
ARG chi3      CB CG CD  NE   60  10 3
ARG chi4      CG CD NE  CZ   180 10 6
ARG chi5      CD NE CZ  NH2  0   5  2
ARG hh1       NE CZ NH1 HH12 0   5  2
ARG hh2       NE CZ NH2 HH22 0   5  2
ARG sp3_sp3_1 C  CA N   H    180 10 3
ARG sp2_sp3_1 O  C  CA  N    0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
ARG chir_1 CA N C CB positive

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
ARG plan-1 C    0.02
ARG plan-1 CA   0.02
ARG plan-1 O    0.02
ARG plan-1 OXT  0.02
ARG plan-2 CD   0.02
ARG plan-2 CZ   0.02
ARG plan-2 HE   0.02
ARG plan-2 NE   0.02
ARG plan-3 CZ   0.02
ARG plan-3 NE   0.02
ARG plan-3 NH1  0.02
ARG plan-3 NH2  0.02
ARG plan-4 CZ   0.02
ARG plan-4 HH11 0.02
ARG plan-4 HH12 0.02
ARG plan-4 NH1  0.02
ARG plan-5 CZ   0.02
ARG plan-5 HH21 0.02
ARG plan-5 HH22 0.02
ARG plan-5 NH2  0.02

data_link_TRANS
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.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
TRANS 1 C 2 N SINGLE 1.337 0.011

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
TRANS 1 CA 1 C 2 N  115.917 1.50
TRANS 1 O  1 C 2 N  123.469 1.50
TRANS 1 C  2 N 2 CA 122.095 1.76
TRANS 1 C  2 N 2 H  119.176 1.83

loop_
_chem_link_tor.link_id
_chem_link_tor.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
TRANS psi   1 N  1 CA 1 C  2 N  160.00 30.0 2
TRANS omega 1 CA 1 C  2 N  2 CA 180.00 5.0  0
TRANS phi   1 C  2 N  2 CA 2 C  60.00  20.0 3

loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
TRANS plan-1 1 CA 0.020
TRANS plan-1 1 C  0.020
TRANS plan-1 2 N  0.020
TRANS plan-1 1 O  0.020
TRANS plan-2 2 CA 0.020
TRANS plan-2 1 C  0.020
TRANS plan-2 2 H  0.020
TRANS plan-2 2 N  0.020

loop_
_chem_link.id
_chem_link.name
_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
TRANS TRANS ? DEL-OXT peptide ? DEL-HN1 peptide

data_link_PTRANS
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.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
PTRANS 1 C 2 N SINGLE 1.352 0.010

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
PTRANS 1 CA 1 C 2 N 118.415 1.50
PTRANS 1 O  1 C 2 N 121.016 1.53
PTRANS 2 CA 2 N 1 C 120.469 1.50
PTRANS 2 CD 2 N 1 C 124.005 1.50

loop_
_chem_link_tor.link_id
_chem_link_tor.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
PTRANS psi   1 N  1 CA 1 C  2 N  160.00 30.0 2
PTRANS omega 1 CA 1 C  2 N  2 CA 180.00 5.0  0
PTRANS phi   1 C  2 N  2 CA 2 C  60.00  20.0 3

loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
PTRANS plan-1 1 CA 0.020
PTRANS plan-1 1 C  0.020
PTRANS plan-1 2 N  0.020
PTRANS plan-1 1 O  0.020
PTRANS plan-2 1 C  .020
PTRANS plan-2 2 N  .020
PTRANS plan-2 2 CA .020
PTRANS plan-2 2 CD .020

loop_
_chem_link.id
_chem_link.name
_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
PTRANS PTRANS ? DEL-OXT peptide ? DEL-HNP P-peptide

data_link_CIS
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.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
CIS 1 C 2 N SINGLE 1.337 0.011

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
CIS 1 CA 1 C 2 N  115.917 1.50
CIS 1 O  1 C 2 N  123.469 1.50
CIS 1 C  2 N 2 CA 122.095 1.76
CIS 1 C  2 N 2 H  119.176 1.83

loop_
_chem_link_tor.link_id
_chem_link_tor.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
CIS psi   1 N  1 CA 1 C  2 N  160.00 30.0 2
CIS omega 1 CA 1 C  2 N  2 CA 0.00   5.0  0
CIS phi   1 C  2 N  2 CA 2 C  60.00  20.0 3

loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
CIS plan-1 1 CA 0.020
CIS plan-1 1 C  0.020
CIS plan-1 2 N  0.020
CIS plan-1 1 O  0.020
CIS plan-2 2 CA 0.020
CIS plan-2 1 C  0.020
CIS plan-2 2 H  0.020
CIS plan-2 2 N  0.020

loop_
_chem_link.id
_chem_link.name
_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
CIS CIS ? DEL-OXT peptide ? DEL-HN1 peptide

data_mod_DEL-OXT
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_charge
DEL-OXT delete OXT . O OC -1

loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
_chem_mod_bond.new_value_dist_nucleus
_chem_mod_bond.new_value_dist_nucleus_esd
DEL-OXT delete C  OXT single .     .     .     .
DEL-OXT change CA C   single 1.526 0.010 1.526 0.010
DEL-OXT change C  O   double 1.229 0.012 1.229 0.012

loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
DEL-OXT delete CA C OXT .       .
DEL-OXT delete O  C OXT .       .
DEL-OXT change CA C O   120.614 1.50

loop_
_chem_mod_plane_atom.mod_id
_chem_mod_plane_atom.function
_chem_mod_plane_atom.plane_id
_chem_mod_plane_atom.atom_id
_chem_mod_plane_atom.new_dist_esd
DEL-OXT delete plan-1 C   0.020
DEL-OXT delete plan-1 CA  0.020
DEL-OXT delete plan-1 O   0.020
DEL-OXT delete plan-1 OXT 0.020

loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
DEL-OXT delete O C CA N 0.000 10.0

loop_
_chem_mod.id
_chem_mod.name
_chem_mod.comp_id
_chem_mod.group_id
DEL-OXT 'delete_OXT_from_peptide' ? peptide

data_mod_DEL-HN1
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_charge
DEL-HN1 delete H2 . H H   0
DEL-HN1 delete H3 . H H   0
DEL-HN1 change N  . N NH1 0

loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
_chem_mod_bond.new_value_dist_nucleus
_chem_mod_bond.new_value_dist_nucleus_esd
DEL-HN1 delete N  H2 single .     .     .     .
DEL-HN1 delete N  H3 single .     .     .     .
DEL-HN1 change CA N  single 1.453 0.010 1.453 0.010
DEL-HN1 change N  H  single 0.914 0.010 1.036 0.016

loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
DEL-HN1 delete CA N H2 .       .
DEL-HN1 delete CA N H3 .       .
DEL-HN1 delete H  N H2 .       .
DEL-HN1 delete H  N H3 .       .
DEL-HN1 delete H2 N H3 .       .
DEL-HN1 change CA N H  118.729 1.50

loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
DEL-HN1 delete C CA N H 180 10

loop_
_chem_mod.id
_chem_mod.name
_chem_mod.comp_id
_chem_mod.group_id
DEL-HN1 'delete_Hs_from_peptide' ? peptide

data_mod_DEL-HNP
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_charge
DEL-HNP delete H  . H H   0
DEL-HNP delete H2 . H H   0
DEL-HNP change N  . N NH0 0

loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
_chem_mod_bond.new_value_dist_nucleus
_chem_mod_bond.new_value_dist_nucleus_esd
DEL-HNP delete N H  single .     .      .     .
DEL-HNP delete N H2 single .     .      .     .
DEL-HNP change N CA single 1.459 0.0100 1.459 0.0100
DEL-HNP change N CD single 1.472 0.0100 1.472 0.0100

loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
DEL-HNP delete CA N  H  .       .
DEL-HNP delete CA N  H2 .       .
DEL-HNP delete CD N  H  .       .
DEL-HNP delete CD N  H2 .       .
DEL-HNP delete H  N  H2 .       .
DEL-HNP change CA N  CD 112.597 1.50
DEL-HNP change N  CA C  113.251 1.50
DEL-HNP change N  CD CG 102.887 1.50

loop_
_chem_mod.id
_chem_mod.name
_chem_mod.comp_id
_chem_mod.group_id
DEL-HNP 'delete_Hs_from_peptide' ? peptide
