data_2h1g
_entry.id                         2h1g

_cell.entry_id                    2h1g
_cell.length_a                    47.031
_cell.length_b                    59.522
_cell.length_c                    109.562
_cell.angle_alpha                 90
_cell.angle_beta                  90
_cell.angle_gamma                 90

_symmetry.entry_id                2h1g
_symmetry.space_group_name_H-M    "P 21 21 21"
_symmetry.Int_Tables_number       19

loop_
_entity.id
_entity.type
A polymer
B polymer

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
A 1   SER ?
A 2   ASP ?
A 3   ALA ?
A 4   PRO ?
A 5   ASN ?
A 6   PHE ?
A 7   VAL ?
A 8   LEU ?
A 9   GLU ?
A 10  ASP ?
A 11  THR ?
A 12  ASN ?
A 13  GLY ?
A 14  LYS ?
A 15  ARG ?
A 16  ILE ?
A 17  GLU ?
A 18  LEU ?
A 19  SER ?
A 20  ASP ?
A 21  LEU ?
A 22  LYS ?
A 23  GLY ?
A 24  LYS ?
A 25  GLY ?
A 26  VAL ?
A 27  PHE ?
A 28  LEU ?
A 29  ASN ?
A 30  PHE ?
A 31  TRP ?
A 32  GLY ?
A 33  THR ?
A 34  TRP ?
A 35  ALA ?
A 36  GLU ?
A 37  PRO ?
A 38  ALA ?
A 39  LYS ?
A 40  LYS ?
A 41  GLU ?
A 42  PHE ?
A 43  PRO ?
A 44  TYR ?
A 45  MET ?
A 46  ALA ?
A 47  ASN ?
A 48  GLN ?
A 49  TYR ?
A 50  LYS ?
A 51  HIS ?
A 52  PHE ?
A 53  LYS ?
A 54  SER ?
A 55  GLN ?
A 56  GLY ?
A 57  VAL ?
A 58  GLU ?
A 59  ILE ?
A 60  VAL ?
A 61  ALA ?
A 62  VAL ?
A 63  ASN ?
A 64  VAL ?
A 65  GLY ?
A 66  GLU ?
A 67  SER ?
A 68  LYS ?
A 69  ILE ?
A 70  ALA ?
A 71  VAL ?
A 72  HIS ?
A 73  ASN ?
A 74  PHE ?
A 75  MET ?
A 76  LYS ?
A 77  SER ?
A 78  TYR ?
A 79  GLY ?
A 80  VAL ?
A 81  ASN ?
A 82  PHE ?
A 83  PRO ?
A 84  VAL ?
A 85  VAL ?
A 86  LEU ?
A 87  ASP ?
A 88  THR ?
A 89  ASP ?
A 90  ARG ?
A 91  GLN ?
A 92  VAL ?
A 93  LEU ?
A 94  ASP ?
A 95  ALA ?
A 96  TYR ?
A 97  ASP ?
A 98  VAL ?
A 99  SER ?
A 100 PRO ?
A 101 LEU ?
A 102 PRO ?
A 103 THR ?
A 104 THR ?
A 105 PHE ?
A 106 LEU ?
A 107 ILE ?
A 108 ASN ?
A 109 PRO ?
A 110 GLU ?
A 111 GLY ?
A 112 LYS ?
A 113 VAL ?
A 114 VAL ?
A 115 LYS ?
A 116 VAL ?
A 117 VAL ?
A 118 THR ?
A 119 GLY ?
A 120 THR ?
A 121 MET ?
A 122 THR ?
A 123 GLU ?
A 124 SER ?
A 125 MET ?
A 126 ILE ?
A 127 HIS ?
A 128 ASP ?
A 129 TYR ?
A 130 MET ?
A 131 ASN ?
A 132 LEU ?
A 133 ILE ?
A 134 LYS ?
A 135 PRO ?
A 136 GLY ?
B 1   SER ?
B 2   ASP ?
B 3   ALA ?
B 4   PRO ?
B 5   ASN ?
B 6   PHE ?
B 7   VAL ?
B 8   LEU ?
B 9   GLU ?
B 10  ASP ?
B 11  THR ?
B 12  ASN ?
B 13  GLY ?
B 14  LYS ?
B 15  ARG ?
B 16  ILE ?
B 17  GLU ?
B 18  LEU ?
B 19  SER ?
B 20  ASP ?
B 21  LEU ?
B 22  LYS ?
B 23  GLY ?
B 24  LYS ?
B 25  GLY ?
B 26  VAL ?
B 27  PHE ?
B 28  LEU ?
B 29  ASN ?
B 30  PHE ?
B 31  TRP ?
B 32  GLY ?
B 33  THR ?
B 34  TRP ?
B 35  ALA ?
B 36  GLU ?
B 37  PRO ?
B 38  ALA ?
B 39  LYS ?
B 40  LYS ?
B 41  GLU ?
B 42  PHE ?
B 43  PRO ?
B 44  TYR ?
B 45  MET ?
B 46  ALA ?
B 47  ASN ?
B 48  GLN ?
B 49  TYR ?
B 50  LYS ?
B 51  HIS ?
B 52  PHE ?
B 53  LYS ?
B 54  SER ?
B 55  GLN ?
B 56  GLY ?
B 57  VAL ?
B 58  GLU ?
B 59  ILE ?
B 60  VAL ?
B 61  ALA ?
B 62  VAL ?
B 63  ASN ?
B 64  VAL ?
B 65  GLY ?
B 66  GLU ?
B 67  SER ?
B 68  LYS ?
B 69  ILE ?
B 70  ALA ?
B 71  VAL ?
B 72  HIS ?
B 73  ASN ?
B 74  PHE ?
B 75  MET ?
B 76  LYS ?
B 77  SER ?
B 78  TYR ?
B 79  GLY ?
B 80  VAL ?
B 81  ASN ?
B 82  PHE ?
B 83  PRO ?
B 84  VAL ?
B 85  VAL ?
B 86  LEU ?
B 87  ASP ?
B 88  THR ?
B 89  ASP ?
B 90  ARG ?
B 91  GLN ?
B 92  VAL ?
B 93  LEU ?
B 94  ASP ?
B 95  ALA ?
B 96  TYR ?
B 97  ASP ?
B 98  VAL ?
B 99  SER ?
B 100 PRO ?
B 101 LEU ?
B 102 PRO ?
B 103 THR ?
B 104 THR ?
B 105 PHE ?
B 106 LEU ?
B 107 ILE ?
B 108 ASN ?
B 109 PRO ?
B 110 GLU ?
B 111 GLY ?
B 112 LYS ?
B 113 VAL ?
B 114 VAL ?
B 115 LYS ?
B 116 VAL ?
B 117 VAL ?
B 118 THR ?
B 119 GLY ?
B 120 THR ?
B 121 MET ?
B 122 THR ?
B 123 GLU ?
B 124 SER ?
B 125 MET ?
B 126 ILE ?
B 127 HIS ?
B 128 ASP ?
B 129 TYR ?
B 130 MET ?
B 131 ASN ?
B 132 LEU ?
B 133 ILE ?
B 134 LYS ?
B 135 PRO ?
B 136 GLY ?
B 137 GLU ?

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                20.390
_refine.aniso_B[1][1]             -0.059
_refine.aniso_B[2][2]             0.192
_refine.aniso_B[3][3]             -0.133
_refine.aniso_B[1][2]             -0.000
_refine.aniso_B[1][3]             0.000
_refine.aniso_B[2][3]             0.000
_refine.solvent_model_details     "MASK BULK SOLVENT"
_refine.pdbx_solvent_vdw_probe_radii 1.200
_refine.pdbx_solvent_ion_probe_radii 0.800
_refine.pdbx_solvent_shrinkage_radii 0.800
_refine.ls_d_res_high             3.102
_refine.ls_d_res_low              36.902
_refine.ls_number_reflns_R_work   5397
_refine.ls_number_reflns_R_free   298
_refine.ls_number_reflns_obs      5695
_refine.ls_R_factor_R_work        0.1766
_refine.ls_R_factor_R_free        0.2459
_refine.ls_R_factor_all           0.180
_refine.ls_wR_factor_R_work       0.171
_refine.ls_wR_factor_R_free       0.235
_refine.ls_percent_reflns_obs     95.586
_refine.ls_percent_reflns_R_free  5.233
_refine.correlation_coeff_Fo_to_Fc 0.929
_refine.correlation_coeff_Fo_to_Fc_free 0.874
_refine.pdbx_overall_ESU_R        ?
_refine.pdbx_overall_ESU_R_Free   0.498
_refine.overall_SU_ML             0.338
_refine.overall_SU_B              19.499
_refine.pdbx_average_fsc_overall  ?
_refine.pdbx_average_fsc_work     0.9768
_refine.pdbx_average_fsc_free     0.9562
_refine.entry_id                  2h1g
_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 36.902 13.025 99  94.9495 90  0.382 0.367 4  0.184 0.379 0.884 0.992 "X-RAY DIFFRACTION"
20 13.025 9.511  136 97.0588 127 0.164 0.170 5  0.386 0.204 0.985 0.931 "X-RAY DIFFRACTION"
20 9.511  7.853  173 97.1098 163 0.169 0.173 5  0.315 0.182 0.981 0.946 "X-RAY DIFFRACTION"
20 7.853  6.840  201 96.5174 189 0.192 0.189 5  0.131 0.194 0.973 0.993 "X-RAY DIFFRACTION"
20 6.840  6.139  228 96.4912 210 0.213 0.212 10 0.178 0.203 0.971 0.989 "X-RAY DIFFRACTION"
20 6.139  5.617  242 96.6942 218 0.198 0.204 16 0.287 0.186 0.977 0.965 "X-RAY DIFFRACTION"
20 5.617  5.209  252 98.8095 240 0.155 0.161 9  0.346 0.153 0.985 0.965 "X-RAY DIFFRACTION"
20 5.209  4.879  277 96.0289 256 0.149 0.152 10 0.232 0.151 0.987 0.974 "X-RAY DIFFRACTION"
20 4.879  4.604  287 96.1673 265 0.131 0.132 11 0.147 0.132 0.989 0.987 "X-RAY DIFFRACTION"
20 4.604  4.371  316 97.7848 292 0.132 0.132 17 0.130 0.131 0.988 0.988 "X-RAY DIFFRACTION"
20 4.371  4.170  319 95.9248 286 0.137 0.143 20 0.220 0.135 0.987 0.960 "X-RAY DIFFRACTION"
20 4.170  3.995  325 98.7692 300 0.150 0.151 21 0.172 0.144 0.985 0.986 "X-RAY DIFFRACTION"
20 3.995  3.840  349 95.1289 319 0.160 0.166 13 0.338 0.155 0.982 0.949 "X-RAY DIFFRACTION"
20 3.840  3.702  358 98.8827 337 0.164 0.167 17 0.218 0.154 0.981 0.977 "X-RAY DIFFRACTION"
20 3.702  3.577  376 96.2766 335 0.170 0.176 27 0.259 0.160 0.981 0.951 "X-RAY DIFFRACTION"
20 3.577  3.465  374 97.5936 342 0.186 0.194 23 0.346 0.165 0.976 0.926 "X-RAY DIFFRACTION"
20 3.465  3.362  382 96.3351 346 0.209 0.213 22 0.272 0.181 0.971 0.947 "X-RAY DIFFRACTION"
20 3.362  3.268  426 90.6103 368 0.202 0.208 18 0.348 0.176 0.971 0.929 "X-RAY DIFFRACTION"
20 3.268  3.182  406 92.8571 350 0.228 0.234 27 0.322 0.204 0.968 0.939 "X-RAY DIFFRACTION"
20 3.182  3.102  428 89.2523 364 0.259 0.262 18 0.332 0.225 0.964 0.916 "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               2209 0.007  0.012  "X-RAY DIFFRACTION"
r_bond_other_d                 2092 0.001  0.016  "X-RAY DIFFRACTION"
r_angle_refined_deg            2998 1.756  1.816  "X-RAY DIFFRACTION"
r_angle_other_deg              4839 0.570  1.755  "X-RAY DIFFRACTION"
r_dihedral_angle_1_deg         271  8.719  5.000  "X-RAY DIFFRACTION"
r_dihedral_angle_2_deg         4    4.223  5.000  "X-RAY DIFFRACTION"
r_dihedral_angle_3_deg         376  18.143 10.000 "X-RAY DIFFRACTION"
r_dihedral_angle_6_deg         97   15.253 10.000 "X-RAY DIFFRACTION"
r_chiral_restr                 331  0.073  0.200  "X-RAY DIFFRACTION"
r_gen_planes_refined           2533 0.006  0.020  "X-RAY DIFFRACTION"
r_gen_planes_other             479  0.001  0.020  "X-RAY DIFFRACTION"
r_nbd_refined                  452  0.232  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbd_other           1992 0.200  0.200  "X-RAY DIFFRACTION"
r_nbtor_refined                1087 0.191  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbtor_other         1282 0.091  0.200  "X-RAY DIFFRACTION"
r_xyhbond_nbd_refined          43   0.123  0.200  "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_other   1    0.001  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbd_refined         3    0.203  0.200  "X-RAY DIFFRACTION"
r_nbd_other                    34   0.187  0.200  "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_refined 1    0.067  0.200  "X-RAY DIFFRACTION"
r_mcbond_it                    1090 1.401  1.931  "X-RAY DIFFRACTION"
r_mcbond_other                 1090 1.401  1.931  "X-RAY DIFFRACTION"
r_mcangle_it                   1359 2.382  3.464  "X-RAY DIFFRACTION"
r_mcangle_other                1360 2.383  3.465  "X-RAY DIFFRACTION"
r_scbond_it                    1119 1.992  2.105  "X-RAY DIFFRACTION"
r_scbond_other                 1118 1.991  2.105  "X-RAY DIFFRACTION"
r_scangle_it                   1639 3.410  3.761  "X-RAY DIFFRACTION"
r_scangle_other                1640 3.409  3.761  "X-RAY DIFFRACTION"
r_lrange_it                    9184 5.677  22.759 "X-RAY DIFFRACTION"
r_lrange_other                 9185 5.677  22.759 "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 1.0750

_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    . SER Axp A 1   ? 11.211  -5.052  16.413  1 27.241 ? 40  A 1 .
ATOM 2    C CA   . SER Axp A 1   ? 9.858   -5.671  16.439  1 27.584 ? 40  A 1 .
ATOM 3    C C    . SER Axp A 1   ? 8.791   -4.581  16.542  1 26.458 ? 40  A 1 .
ATOM 4    O O    . SER Axp A 1   ? 8.752   -3.842  17.506  1 25.549 ? 40  A 1 .
ATOM 5    C CB   . SER Axp A 1   ? 9.754   -6.672  17.561  1 28.815 ? 40  A 1 .
ATOM 6    O OG   . SER Axp A 1   ? 8.81    -7.69   17.247  1 30.226 ? 40  A 1 .
ATOM 7    H H    . SER Axp A 1   ? 11.835  -5.685  16.257  1 27.359 ? 40  A 1 c
ATOM 8    H H2   . SER Axp A 1   ? 11.382  -4.658  17.206  1 27.351 ? 40  A 1 c
ATOM 9    H H3   . SER Axp A 1   ? 11.252  -4.431  15.76   1 27.36  ? 40  A 1 c
ATOM 10   H HA   . SER Axp A 1   ? 9.728   -6.152  15.583  1 27.551 ? 40  A 1 c
ATOM 11   H HB3  . SER Axp A 1   ? 9.481   -6.216  18.38   1 28.822 ? 40  A 1 c
ATOM 12   H HB2  . SER Axp A 1   ? 10.629  -7.077  17.715  1 28.832 ? 40  A 1 c
ATOM 13   H HG   . SER Axp A 1   ? 8.935   -8.284  17.66   0 26.33  ? 40  A 1 c
ATOM 14   N N    . ASP Axp A 2   ? 7.903   -4.505  15.551  1 27.71  ? 41  A 1 .
ATOM 15   C CA   . ASP Axp A 2   ? 7.093   -3.32   15.303  1 29.641 ? 41  A 1 .
ATOM 16   C C    . ASP Axp A 2   ? 6.02    -3.099  16.368  1 26.239 ? 41  A 1 .
ATOM 17   O O    . ASP Axp A 2   ? 5.334   -4.037  16.77   1 26.028 ? 41  A 1 .
ATOM 18   C CB   . ASP Axp A 2   ? 6.469   -3.357  13.914  1 35.32  ? 41  A 1 .
ATOM 19   C CG   . ASP Axp A 2   ? 7.219   -2.541  12.862  1 42.94  ? 41  A 1 .
ATOM 20   O OD1  . ASP Axp A 2   ? 8.154   -1.801  13.256  1 46.624 ? 41  A 1 .
ATOM 21   O OD2  . ASP Axp A 2   ? 6.855   -2.63   11.656  1 46.788 ? 41  A 1 .
ATOM 22   H H    . ASP Axp A 2   ? 7.793   -5.23   15.005  1 27.927 ? 41  A 1 c
ATOM 23   H HA   . ASP Axp A 2   ? 7.695   -2.545  15.327  1 29.6   ? 41  A 1 c
ATOM 24   H HB3  . ASP Axp A 2   ? 5.554   -3.01   13.965  1 35.411 ? 41  A 1 c
ATOM 25   H HB2  . ASP Axp A 2   ? 6.419   -4.284  13.603  1 35.369 ? 41  A 1 c
ATOM 26   N N    . ALA Axp A 3   ? 5.843   -1.823  16.759  1 22.572 ? 42  A 1 .
ATOM 27   C CA   . ALA Axp A 3   ? 4.999   -1.447  17.89   1 19.979 ? 42  A 1 .
ATOM 28   C C    . ALA Axp A 3   ? 3.554   -1.193  17.455  1 18.257 ? 42  A 1 .
ATOM 29   O O    . ALA Axp A 3   ? 3.292   -0.259  16.714  1 18.297 ? 42  A 1 .
ATOM 30   C CB   . ALA Axp A 3   ? 5.575   -0.217  18.555  1 19.917 ? 42  A 1 .
ATOM 31   H H    . ALA Axp A 3   ? 6.265   -1.158  16.294  1 22.837 ? 42  A 1 c
ATOM 32   H HA   . ALA Axp A 3   ? 5.005   -2.196  18.544  1 20.147 ? 42  A 1 c
ATOM 33   H HB3  . ALA Axp A 3   ? 5.037   0.019   19.329  1 19.93  ? 42  A 1 c
ATOM 34   H HB2  . ALA Axp A 3   ? 5.576   0.525   17.926  1 19.923 ? 42  A 1 c
ATOM 35   H HB1  . ALA Axp A 3   ? 6.487   -0.395  18.84   1 19.921 ? 42  A 1 c
ATOM 36   N N    . PRO Axp A 4   ? 2.542   -1.95   17.929  1 17.53  ? 43  A 1 .
ATOM 37   C CA   . PRO Axp A 4   ? 1.155   -1.7    17.541  1 17.141 ? 43  A 1 .
ATOM 38   C C    . PRO Axp A 4   ? 0.703   -0.25   17.723  1 16.455 ? 43  A 1 .
ATOM 39   O O    . PRO Axp A 4   ? 0.789   0.308   18.807  1 15.791 ? 43  A 1 .
ATOM 40   C CB   . PRO Axp A 4   ? 0.338   -2.669  18.399  1 17.398 ? 43  A 1 .
ATOM 41   C CG   . PRO Axp A 4   ? 1.333   -3.777  18.693  1 18.088 ? 43  A 1 .
ATOM 42   C CD   . PRO Axp A 4   ? 2.67    -3.093  18.843  1 18.466 ? 43  A 1 .
ATOM 43   H HA   . PRO Axp A 4   ? 1.044   -1.951  16.601  1 17.129 ? 43  A 1 c
ATOM 44   H HB3  . PRO Axp A 4   ? -0.434  -3.01   17.907  1 17.49  ? 43  A 1 c
ATOM 45   H HB2  . PRO Axp A 4   ? 0.035   -2.241  19.224  1 17.478 ? 43  A 1 c
ATOM 46   H HG3  . PRO Axp A 4   ? 1.36    -4.422  17.958  1 18.014 ? 43  A 1 c
ATOM 47   H HG2  . PRO Axp A 4   ? 1.095   -4.247  19.516  1 18.014 ? 43  A 1 c
ATOM 48   H HD3  . PRO Axp A 4   ? 2.818   -2.791  19.761  1 18.173 ? 43  A 1 c
ATOM 49   H HD2  . PRO Axp A 4   ? 3.401   -3.68   18.571  1 18.216 ? 43  A 1 c
ATOM 50   N N    . ASN Axp A 5   ? 0.201   0.345   16.642  1 16.64  ? 44  A 1 .
ATOM 51   C CA   . ASN Axp A 5   ? -0.253  1.722   16.623  1 17.142 ? 44  A 1 .
ATOM 52   C C    . ASN Axp A 5   ? -1.539  1.831   17.438  1 17.076 ? 44  A 1 .
ATOM 53   O O    . ASN Axp A 5   ? -2.124  0.813   17.796  1 16.587 ? 44  A 1 .
ATOM 54   C CB   . ASN Axp A 5   ? -0.474  2.183   15.188  1 17.771 ? 44  A 1 .
ATOM 55   C CG   . ASN Axp A 5   ? -0.33   3.672   15.01   1 19.359 ? 44  A 1 .
ATOM 56   O OD1  . ASN Axp A 5   ? -0.188  4.423   15.973  1 20.815 ? 44  A 1 .
ATOM 57   N ND2  . ASN Axp A 5   ? -0.373  4.129   13.776  1 20.956 ? 44  A 1 .
ATOM 58   H H    . ASN Axp A 5   ? 0.134   -0.141  15.871  1 16.732 ? 44  A 1 c
ATOM 59   H HA   . ASN Axp A 5   ? 0.441   2.289   17.028  1 17.165 ? 44  A 1 c
ATOM 60   H HB3  . ASN Axp A 5   ? -1.371  1.915   14.902  1 17.97  ? 44  A 1 c
ATOM 61   H HB2  . ASN Axp A 5   ? 0.171   1.733   14.607  1 17.96  ? 44  A 1 c
ATOM 62   H HD21 . ASN Axp A 5   ? -0.832  4.866   13.593  1 20.452 ? 44  A 1 c
ATOM 63   H HD22 . ASN Axp A 5   ? 0.057   3.699   13.13   1 20.456 ? 44  A 1 c
ATOM 64   N N    . PHE Axp A 6   ? -1.967  3.066   17.734  1 17.464 ? 45  A 1 .
ATOM 65   C CA   . PHE Axp A 6   ? -3.226  3.286   18.421  1 18.523 ? 45  A 1 .
ATOM 66   C C    . PHE Axp A 6   ? -3.565  4.768   18.426  1 17.545 ? 45  A 1 .
ATOM 67   O O    . PHE Axp A 6   ? -2.698  5.6     18.259  1 17.609 ? 45  A 1 .
ATOM 68   C CB   . PHE Axp A 6   ? -3.21   2.793   19.873  1 20.45  ? 45  A 1 .
ATOM 69   C CG   . PHE Axp A 6   ? -2.145  3.419   20.767  1 22.352 ? 45  A 1 .
ATOM 70   C CD1  . PHE Axp A 6   ? -2.332  4.691   21.311  1 22.938 ? 45  A 1 .
ATOM 71   C CD2  . PHE Axp A 6   ? -0.976  2.719   21.083  1 23.541 ? 45  A 1 .
ATOM 72   C CE1  . PHE Axp A 6   ? -1.357  5.261   22.119  1 23.195 ? 45  A 1 .
ATOM 73   C CE2  . PHE Axp A 6   ? -0.005  3.287   21.892  1 23.131 ? 45  A 1 .
ATOM 74   C CZ   . PHE Axp A 6   ? -0.193  4.563   22.398  1 23.248 ? 45  A 1 .
ATOM 75   H H    . PHE Axp A 6   ? -1.453  3.787   17.508  1 17.609 ? 45  A 1 c
ATOM 76   H HA   . PHE Axp A 6   ? -3.94   2.799   17.93   1 18.441 ? 45  A 1 c
ATOM 77   H HB3  . PHE Axp A 6   ? -3.084  1.819   19.869  1 20.375 ? 45  A 1 c
ATOM 78   H HB2  . PHE Axp A 6   ? -4.093  2.971   20.267  1 20.371 ? 45  A 1 c
ATOM 79   H HD1  . PHE Axp A 6   ? -3.116  5.176   21.11   1 22.821 ? 45  A 1 c
ATOM 80   H HD2  . PHE Axp A 6   ? -0.839  1.858   20.721  1 23.121 ? 45  A 1 c
ATOM 81   H HE1  . PHE Axp A 6   ? -1.485  6.127   22.474  1 23.137 ? 45  A 1 c
ATOM 82   H HE2  . PHE Axp A 6   ? 0.787   2.812   22.087  1 23.259 ? 45  A 1 c
ATOM 83   H HZ   . PHE Axp A 6   ? 0.461   4.947   22.96   1 23.094 ? 45  A 1 c
ATOM 84   N N    . VAL Axp A 7   ? -4.836  5.065   18.675  1 18.101 ? 46  A 1 .
ATOM 85   C CA   . VAL Axp A 7   ? -5.307  6.423   18.843  1 19.483 ? 46  A 1 .
ATOM 86   C C    . VAL Axp A 7   ? -6.259  6.482   20.034  1 21.592 ? 46  A 1 .
ATOM 87   O O    . VAL Axp A 7   ? -7.33   5.872   20.036  1 21.652 ? 46  A 1 .
ATOM 88   C CB   . VAL Axp A 7   ? -6.036  6.968   17.608  1 19.648 ? 46  A 1 .
ATOM 89   C CG1  . VAL Axp A 7   ? -6.217  8.479   17.707  1 19.618 ? 46  A 1 .
ATOM 90   C CG2  . VAL Axp A 7   ? -5.347  6.553   16.316  1 20.317 ? 46  A 1 .
ATOM 91   H H    . VAL Axp A 7   ? -5.442  4.384   18.742  1 18.293 ? 46  A 1 c
ATOM 92   H HA   . VAL Axp A 7   ? -4.541  6.994   19.026  1 19.649 ? 46  A 1 c
ATOM 93   H HB   . VAL Axp A 7   ? -6.936  6.564   17.601  1 19.755 ? 46  A 1 c
ATOM 94   H HG11 . VAL Axp A 7   ? -5.372  8.892   17.951  1 19.653 ? 46  A 1 c
ATOM 95   H HG12 . VAL Axp A 7   ? -6.884  8.682   18.384  1 19.697 ? 46  A 1 c
ATOM 96   H HG13 . VAL Axp A 7   ? -6.511  8.828   16.849  1 19.69  ? 46  A 1 c
ATOM 97   H HG21 . VAL Axp A 7   ? -5.697  7.079   15.577  1 20.109 ? 46  A 1 c
ATOM 98   H HG22 . VAL Axp A 7   ? -5.513  5.61    16.147  1 20.102 ? 46  A 1 c
ATOM 99   H HG23 . VAL Axp A 7   ? -4.39   6.703   16.395  1 20.101 ? 46  A 1 c
ATOM 100  N N    . LEU Axp A 8   ? -5.865  7.281   21.022  1 22.862 ? 47  A 1 .
ATOM 101  C CA   . LEU Axp A 8   ? -6.668  7.51    22.203  1 23.777 ? 47  A 1 .
ATOM 102  C C    . LEU Axp A 8   ? -6.684  9.013   22.429  1 24.538 ? 47  A 1 .
ATOM 103  O O    . LEU Axp A 8   ? -5.876  9.734   21.862  1 23.426 ? 47  A 1 .
ATOM 104  C CB   . LEU Axp A 8   ? -6.048  6.785   23.4    1 24.26  ? 47  A 1 .
ATOM 105  C CG   . LEU Axp A 8   ? -5.912  5.26    23.327  1 22.95  ? 47  A 1 .
ATOM 106  C CD1  . LEU Axp A 8   ? -5.129  4.761   24.531  1 22.887 ? 47  A 1 .
ATOM 107  C CD2  . LEU Axp A 8   ? -7.271  4.597   23.269  1 22.74  ? 47  A 1 .
ATOM 108  H H    . LEU Axp A 8   ? -5.056  7.702   20.958  1 22.711 ? 47  A 1 c
ATOM 109  H HA   . LEU Axp A 8   ? -7.591  7.185   22.047  1 23.78  ? 47  A 1 c
ATOM 110  H HB3  . LEU Axp A 8   ? -6.584  7.006   24.197  1 23.846 ? 47  A 1 c
ATOM 111  H HB2  . LEU Axp A 8   ? -5.152  7.165   23.552  1 23.844 ? 47  A 1 c
ATOM 112  H HG   . LEU Axp A 8   ? -5.41   5.027   22.504  1 23.133 ? 47  A 1 c
ATOM 113  H HD11 . LEU Axp A 8   ? -4.183  4.946   24.403  1 22.908 ? 47  A 1 c
ATOM 114  H HD12 . LEU Axp A 8   ? -5.259  3.803   24.631  1 22.908 ? 47  A 1 c
ATOM 115  H HD13 . LEU Axp A 8   ? -5.441  5.214   25.332  1 22.914 ? 47  A 1 c
ATOM 116  H HD21 . LEU Axp A 8   ? -7.73   4.866   22.456  1 22.803 ? 47  A 1 c
ATOM 117  H HD22 . LEU Axp A 8   ? -7.797  4.867   24.04   1 22.784 ? 47  A 1 c
ATOM 118  H HD23 . LEU Axp A 8   ? -7.163  3.632   23.274  1 22.803 ? 47  A 1 c
ATOM 119  N N    . GLU Axp A 9   ? -7.597  9.473   23.275  1 26.784 ? 48  A 1 .
ATOM 120  C CA   . GLU Axp A 9   ? -7.556  10.845  23.739  1 29.599 ? 48  A 1 .
ATOM 121  C C    . GLU Axp A 9   ? -6.738  10.881  25.019  1 28.28  ? 48  A 1 .
ATOM 122  O O    . GLU Axp A 9   ? -6.926  10.045  25.888  1 28.577 ? 48  A 1 .
ATOM 123  C CB   . GLU Axp A 9   ? -8.955  11.398  24.018  1 33.01  ? 48  A 1 .
ATOM 124  C CG   . GLU Axp A 9   ? -9.639  11.957  22.773  1 35.562 ? 48  A 1 .
ATOM 125  C CD   . GLU Axp A 9   ? -11.125 11.668  22.743  1 37.494 ? 48  A 1 .
ATOM 126  O OE1  . GLU Axp A 9   ? -11.751 11.733  23.825  1 37.955 ? 48  A 1 .
ATOM 127  O OE2  . GLU Axp A 9   ? -11.636 11.366  21.638  1 39.059 ? 48  A 1 .
ATOM 128  H H    . GLU Axp A 9   ? -8.262  8.921   23.573  1 26.85  ? 48  A 1 c
ATOM 129  H HA   . GLU Axp A 9   ? -7.115  11.403  23.051  1 29.341 ? 48  A 1 c
ATOM 130  H HB3  . GLU Axp A 9   ? -8.886  12.113  24.685  1 32.726 ? 48  A 1 c
ATOM 131  H HB2  . GLU Axp A 9   ? -9.504  10.683  24.402  1 32.75  ? 48  A 1 c
ATOM 132  H HG3  . GLU Axp A 9   ? -9.226  11.565  21.974  1 35.33  ? 48  A 1 c
ATOM 133  H HG2  . GLU Axp A 9   ? -9.506  12.922  22.737  1 35.343 ? 48  A 1 c
ATOM 134  N N    . ASP Axp A 10  ? -5.854  11.868  25.133  1 28.278 ? 49  A 1 .
ATOM 135  C CA   . ASP Axp A 10  ? -5.247  12.195  26.411  1 29.954 ? 49  A 1 .
ATOM 136  C C    . ASP Axp A 10  ? -6.337  12.724  27.348  1 28.378 ? 49  A 1 .
ATOM 137  O O    . ASP Axp A 10  ? -7.521  12.683  27.007  1 28.086 ? 49  A 1 .
ATOM 138  C CB   . ASP Axp A 10  ? -4.101  13.175  26.215  1 33.071 ? 49  A 1 .
ATOM 139  C CG   . ASP Axp A 10  ? -4.527  14.605  25.904  1 38.376 ? 49  A 1 .
ATOM 140  O OD1  . ASP Axp A 10  ? -5.686  14.96   26.233  1 43.826 ? 49  A 1 .
ATOM 141  O OD2  . ASP Axp A 10  ? -3.719  15.345  25.293  1 42.041 ? 49  A 1 .
ATOM 142  H H    . ASP Axp A 10  ? -5.619  12.353  24.394  1 28.762 ? 49  A 1 c
ATOM 143  H HA   . ASP Axp A 10  ? -4.88   11.373  26.793  1 29.238 ? 49  A 1 c
ATOM 144  H HB3  . ASP Axp A 10  ? -3.547  12.857  25.472  1 33.36  ? 49  A 1 c
ATOM 145  H HB2  . ASP Axp A 10  ? -3.542  13.19   27.018  1 33.192 ? 49  A 1 c
ATOM 146  N N    . THR Axp A 11  ? -5.923  13.283  28.496  1 25.485 ? 50  A 1 .
ATOM 147  C CA   . THR Axp A 11  ? -6.859  13.716  29.518  1 23.89  ? 50  A 1 .
ATOM 148  C C    . THR Axp A 11  ? -7.308  15.165  29.303  1 24.575 ? 50  A 1 .
ATOM 149  O O    . THR Axp A 11  ? -7.728  15.808  30.26   1 26.593 ? 50  A 1 .
ATOM 150  C CB   . THR Axp A 11  ? -6.238  13.522  30.905  1 22.862 ? 50  A 1 .
ATOM 151  O OG1  . THR Axp A 11  ? -5.081  14.343  31.061  1 21.366 ? 50  A 1 .
ATOM 152  C CG2  . THR Axp A 11  ? -5.878  12.075  31.177  1 21.823 ? 50  A 1 .
ATOM 153  H H    . THR Axp A 11  ? -5.028  13.389  28.649  1 25.871 ? 50  A 1 c
ATOM 154  H HA   . THR Axp A 11  ? -7.653  13.14   29.462  1 24.152 ? 50  A 1 c
ATOM 155  H HB   . THR Axp A 11  ? -6.904  13.788  31.583  1 22.568 ? 50  A 1 c
ATOM 156  H HG1  . THR Axp A 11  ? -4.39   14.188  30.529  0 15.86  ? 50  A 1 c
ATOM 157  H HG21 . THR Axp A 11  ? -5.831  11.926  32.136  1 22.116 ? 50  A 1 c
ATOM 158  H HG22 . THR Axp A 11  ? -5.015  11.874  30.777  1 22.068 ? 50  A 1 c
ATOM 159  H HG23 . THR Axp A 11  ? -6.555  11.493  30.792  1 22.134 ? 50  A 1 c
ATOM 160  N N    . ASN Axp A 12  ? -7.24   15.694  28.072  1 24.095 ? 51  A 1 .
ATOM 161  C CA   . ASN Axp A 12  ? -7.988  16.899  27.724  1 23.614 ? 51  A 1 .
ATOM 162  C C    . ASN Axp A 12  ? -8.643  16.689  26.361  1 24.677 ? 51  A 1 .
ATOM 163  O O    . ASN Axp A 12  ? -8.66   17.579  25.522  1 22.875 ? 51  A 1 .
ATOM 164  C CB   . ASN Axp A 12  ? -7.136  18.163  27.693  1 21.915 ? 51  A 1 .
ATOM 165  C CG   . ASN Axp A 12  ? -5.844  18.046  28.466  1 20.119 ? 51  A 1 .
ATOM 166  O OD1  . ASN Axp A 12  ? -5.825  18.222  29.687  1 17.555 ? 51  A 1 .
ATOM 167  N ND2  . ASN Axp A 12  ? -4.749  17.808  27.754  1 20.128 ? 51  A 1 .
ATOM 168  H H    . ASN Axp A 12  ? -6.711  15.306  27.438  1 24.364 ? 51  A 1 c
ATOM 169  H HA   . ASN Axp A 12  ? -8.697  17.034  28.393  1 23.593 ? 51  A 1 c
ATOM 170  H HB3  . ASN Axp A 12  ? -7.657  18.903  28.063  1 21.855 ? 51  A 1 c
ATOM 171  H HB2  . ASN Axp A 12  ? -6.923  18.384  26.765  1 21.855 ? 51  A 1 c
ATOM 172  H HD21 . ASN Axp A 12  ? -3.972  18.149  28.011  1 20.148 ? 51  A 1 c
ATOM 173  H HD22 . ASN Axp A 12  ? -4.796  17.309  27.022  1 20.222 ? 51  A 1 c
ATOM 174  N N    . GLY Axp A 13  ? -9.132  15.47   26.132  1 28.206 ? 52  A 1 .
ATOM 175  C CA   . GLY Axp A 13  ? -9.839  15.141  24.909  1 31.526 ? 52  A 1 .
ATOM 176  C C    . GLY Axp A 13  ? -8.983  15.242  23.64   1 31.634 ? 52  A 1 .
ATOM 177  O O    . GLY Axp A 13  ? -9.532  15.2    22.533  1 32.762 ? 52  A 1 .
ATOM 178  H H    . GLY Axp A 13  ? -9.029  14.819  26.765  1 27.954 ? 52  A 1 c
ATOM 179  H HA3  . GLY Axp A 13  ? -10.612 15.747  24.821  1 30.721 ? 52  A 1 c
ATOM 180  H HA2  . GLY Axp A 13  ? -10.19  14.223  24.987  1 30.721 ? 52  A 1 c
ATOM 181  N N    . LYS Axp A 14  ? -7.653  15.329  23.786  1 28.638 ? 53  A 1 .
ATOM 182  C CA   . LYS Axp A 14  ? -6.787  15.586  22.645  1 29.212 ? 53  A 1 .
ATOM 183  C C    . LYS Axp A 14  ? -6.297  14.263  22.053  1 27.026 ? 53  A 1 .
ATOM 184  O O    . LYS Axp A 14  ? -5.673  13.465  22.74   1 28.635 ? 53  A 1 .
ATOM 185  C CB   . LYS Axp A 14  ? -5.632  16.501  23.071  1 30.809 ? 53  A 1 .
ATOM 186  C CG   . LYS Axp A 14  ? -4.712  16.908  21.941  1 32.852 ? 53  A 1 .
ATOM 187  C CD   . LYS Axp A 14  ? -3.229  16.642  22.183  1 35.49  ? 53  A 1 .
ATOM 188  C CE   . LYS Axp A 14  ? -2.529  16.587  20.858  1 38.665 ? 53  A 1 .
ATOM 189  N NZ   . LYS Axp A 14  ? -1.159  16.089  20.984  1 40.332 ? 53  A 1 .
ATOM 190  H H    . LYS Axp A 14  ? -7.275  15.206  24.608  1 29.438 ? 53  A 1 c
ATOM 191  H HA   . LYS Axp A 14  ? -7.314  16.064  21.956  1 28.964 ? 53  A 1 c
ATOM 192  H HB3  . LYS Axp A 14  ? -5.104  16.043  23.753  1 31.058 ? 53  A 1 c
ATOM 193  H HB2  . LYS Axp A 14  ? -6.005  17.313  23.477  1 30.927 ? 53  A 1 c
ATOM 194  H HG3  . LYS Axp A 14  ? -4.835  17.868  21.776  1 32.944 ? 53  A 1 c
ATOM 195  H HG2  . LYS Axp A 14  ? -4.991  16.435  21.127  1 32.954 ? 53  A 1 c
ATOM 196  H HD3  . LYS Axp A 14  ? -3.113  15.787  22.651  1 35.569 ? 53  A 1 c
ATOM 197  H HD2  . LYS Axp A 14  ? -2.845  17.363  22.727  1 35.575 ? 53  A 1 c
ATOM 198  H HE3  . LYS Axp A 14  ? -2.506  17.478  20.465  1 38.284 ? 53  A 1 c
ATOM 199  H HE2  . LYS Axp A 14  ? -3.017  16.001  20.251  1 38.226 ? 53  A 1 c
ATOM 200  H HZ1  . LYS Axp A 14  ? -1.165  15.271  21.375  1 39.782 ? 53  A 1 c
ATOM 201  H HZ2  . LYS Axp A 14  ? -0.672  16.659  21.493  1 39.805 ? 53  A 1 c
ATOM 202  H HZ3  . LYS Axp A 14  ? -0.78   16.024  20.164  1 39.805 ? 53  A 1 c
ATOM 203  N N    . ARG Axp A 15  ? -6.529  14.065  20.753  1 25.63  ? 54  A 1 .
ATOM 204  C CA   . ARG Axp A 15  ? -6.237  12.804  20.092  1 26.551 ? 54  A 1 .
ATOM 205  C C    . ARG Axp A 15  ? -4.729  12.609  19.901  1 27.763 ? 54  A 1 .
ATOM 206  O O    . ARG Axp A 15  ? -4.055  13.463  19.318  1 27.482 ? 54  A 1 .
ATOM 207  C CB   . ARG Axp A 15  ? -6.987  12.779  18.757  1 27.055 ? 54  A 1 .
ATOM 208  C CG   . ARG Axp A 15  ? -6.481  11.806  17.7    1 27.734 ? 54  A 1 .
ATOM 209  C CD   . ARG Axp A 15  ? -6.869  12.242  16.261  1 27.958 ? 54  A 1 .
ATOM 210  N NE   . ARG Axp A 15  ? -6.732  11.193  15.243  1 26.615 ? 54  A 1 .
ATOM 211  C CZ   . ARG Axp A 15  ? -5.602  10.803  14.665  1 25.881 ? 54  A 1 .
ATOM 212  N NH1  . ARG Axp A 15  ? -4.496  11.504  14.868  1 25.326 ? 54  A 1 .
ATOM 213  N NH2  . ARG Axp A 15  ? -5.6    9.736   13.871  1 25.117 ? 54  A 1 .
ATOM 214  H H    . ARG Axp A 15  ? -6.881  14.748  20.258  1 26.221 ? 54  A 1 c
ATOM 215  H HA   . ARG Axp A 15  ? -6.584  12.07   20.661  1 26.715 ? 54  A 1 c
ATOM 216  H HB3  . ARG Axp A 15  ? -6.962  13.683  18.376  1 27.082 ? 54  A 1 c
ATOM 217  H HB2  . ARG Axp A 15  ? -7.927  12.568  18.943  1 27.091 ? 54  A 1 c
ATOM 218  H HG3  . ARG Axp A 15  ? -6.861  10.921  17.875  1 27.444 ? 54  A 1 c
ATOM 219  H HG2  . ARG Axp A 15  ? -5.504  11.734  17.757  1 27.593 ? 54  A 1 c
ATOM 220  H HD3  . ARG Axp A 15  ? -6.312  13.006  16.008  1 27.571 ? 54  A 1 c
ATOM 221  H HD2  . ARG Axp A 15  ? -7.798  12.55   16.274  1 27.581 ? 54  A 1 c
ATOM 222  H HE   . ARG Axp A 15  ? -7.459  10.785  14.992  1 26.731 ? 54  A 1 c
ATOM 223  H HH11 . ARG Axp A 15  ? -4.125  11.517  15.67   1 25.508 ? 54  A 1 c
ATOM 224  H HH12 . ARG Axp A 15  ? -4.134  11.956  14.199  1 25.499 ? 54  A 1 c
ATOM 225  H HH21 . ARG Axp A 15  ? -6.072  9.023   14.093  1 25.35  ? 54  A 1 c
ATOM 226  H HH22 . ARG Axp A 15  ? -5.126  9.745   13.124  1 25.35  ? 54  A 1 c
ATOM 227  N N    . ILE Axp A 16  ? -4.23   11.437  20.347  1 29.285 ? 55  A 1 .
ATOM 228  C CA   . ILE Axp A 16  ? -2.827  11.046  20.224  1 28.685 ? 55  A 1 .
ATOM 229  C C    . ILE Axp A 16  ? -2.687  9.712   19.484  1 27.078 ? 55  A 1 .
ATOM 230  O O    . ILE Axp A 16  ? -3.208  8.691   19.928  1 24.822 ? 55  A 1 .
ATOM 231  C CB   . ILE Axp A 16  ? -2.151  10.974  21.606  1 29.04  ? 55  A 1 .
ATOM 232  C CG1  . ILE Axp A 16  ? -2.39   12.264  22.404  1 30.93  ? 55  A 1 .
ATOM 233  C CG2  . ILE Axp A 16  ? -0.663  10.653  21.459  1 28.427 ? 55  A 1 .
ATOM 234  C CD1  . ILE Axp A 16  ? -1.348  12.556  23.472  1 31.541 ? 55  A 1 .
ATOM 235  H H    . ILE Axp A 16  ? -4.803  10.849  20.75   1 28.745 ? 55  A 1 c
ATOM 236  H HA   . ILE Axp A 16  ? -2.366  11.732  19.704  1 28.536 ? 55  A 1 c
ATOM 237  H HB   . ILE Axp A 16  ? -2.568  10.239  22.1    1 29.2   ? 55  A 1 c
ATOM 238  H HG12 . ILE Axp A 16  ? -3.268  12.205  22.834  1 30.616 ? 55  A 1 c
ATOM 239  H HG13 . ILE Axp A 16  ? -2.415  13.017  21.779  1 30.615 ? 55  A 1 c
ATOM 240  H HG21 . ILE Axp A 16  ? -0.307  10.356  22.314  1 28.644 ? 55  A 1 c
ATOM 241  H HG22 . ILE Axp A 16  ? -0.185  11.448  21.169  1 28.643 ? 55  A 1 c
ATOM 242  H HG23 . ILE Axp A 16  ? -0.541  9.948   20.802  1 28.611 ? 55  A 1 c
ATOM 243  H HD11 . ILE Axp A 16  ? -1.171  11.749  23.991  1 31.32  ? 55  A 1 c
ATOM 244  H HD12 . ILE Axp A 16  ? -1.683  13.254  24.066  1 31.356 ? 55  A 1 c
ATOM 245  H HD13 . ILE Axp A 16  ? -0.52   12.86   23.053  1 31.319 ? 55  A 1 c
ATOM 246  N N    . GLU Axp A 17  ? -1.937  9.733   18.37   1 27.44  ? 56  A 1 .
ATOM 247  C CA   . GLU Axp A 17  ? -1.66   8.545   17.576  1 27.988 ? 56  A 1 .
ATOM 248  C C    . GLU Axp A 17  ? -0.179  8.214   17.723  1 27.366 ? 56  A 1 .
ATOM 249  O O    . GLU Axp A 17  ? 0.668   9.087   17.571  1 29.081 ? 56  A 1 .
ATOM 250  C CB   . GLU Axp A 17  ? -2.052  8.771   16.113  1 29.892 ? 56  A 1 .
ATOM 251  C CG   . GLU Axp A 17  ? -1.795  7.581   15.18   1 34.059 ? 56  A 1 .
ATOM 252  C CD   . GLU Axp A 17  ? -2.451  7.676   13.795  1 38.602 ? 56  A 1 .
ATOM 253  O OE1  . GLU Axp A 17  ? -3.174  8.668   13.503  1 46.366 ? 56  A 1 .
ATOM 254  O OE2  . GLU Axp A 17  ? -2.267  6.749   12.98   1 37.492 ? 56  A 1 .
ATOM 255  H H    . GLU Axp A 17  ? -1.583  10.529  18.094  1 27.494 ? 56  A 1 c
ATOM 256  H HA   . GLU Axp A 17  ? -2.193  7.796   17.935  1 27.958 ? 56  A 1 c
ATOM 257  H HB3  . GLU Axp A 17  ? -1.556  9.544   15.772  1 30.351 ? 56  A 1 c
ATOM 258  H HB2  . GLU Axp A 17  ? -3.006  8.993   16.079  1 30.408 ? 56  A 1 c
ATOM 259  H HG3  . GLU Axp A 17  ? -2.117  6.764   15.617  1 33.976 ? 56  A 1 c
ATOM 260  H HG2  . GLU Axp A 17  ? -0.829  7.483   15.057  1 33.781 ? 56  A 1 c
ATOM 261  N N    . LEU Axp A 18  ? 0.139   6.945   17.982  1 25.86  ? 57  A 1 .
ATOM 262  C CA   . LEU Axp A 18  ? 1.509   6.569   18.297  1 26.153 ? 57  A 1 .
ATOM 263  C C    . LEU Axp A 18  ? 2.464   6.808   17.122  1 23.753 ? 57  A 1 .
ATOM 264  O O    . LEU Axp A 18  ? 3.638   7.148   17.311  1 20.845 ? 57  A 1 .
ATOM 265  C CB   . LEU Axp A 18  ? 1.539   5.103   18.715  1 26.412 ? 57  A 1 .
ATOM 266  C CG   . LEU Axp A 18  ? 2.908   4.588   19.164  1 25.675 ? 57  A 1 .
ATOM 267  C CD1  . LEU Axp A 18  ? 3.377   5.413   20.35   1 24.683 ? 57  A 1 .
ATOM 268  C CD2  . LEU Axp A 18  ? 2.825   3.109   19.483  1 26.459 ? 57  A 1 .
ATOM 269  H H    . LEU Axp A 18  ? -0.507  6.298   17.959  1 26.304 ? 57  A 1 c
ATOM 270  H HA   . LEU Axp A 18  ? 1.809   7.127   19.058  1 25.701 ? 57  A 1 c
ATOM 271  H HB3  . LEU Axp A 18  ? 1.236   4.557   17.954  1 26.146 ? 57  A 1 c
ATOM 272  H HB2  . LEU Axp A 18  ? 0.9     4.978   19.454  1 26.169 ? 57  A 1 c
ATOM 273  H HG   . LEU Axp A 18  ? 3.552   4.711   18.42   1 25.727 ? 57  A 1 c
ATOM 274  H HD11 . LEU Axp A 18  ? 3.771   6.243   20.033  1 24.988 ? 57  A 1 c
ATOM 275  H HD12 . LEU Axp A 18  ? 4.041   4.912   20.852  1 24.987 ? 57  A 1 c
ATOM 276  H HD13 . LEU Axp A 18  ? 2.621   5.615   20.926  1 24.993 ? 57  A 1 c
ATOM 277  H HD21 . LEU Axp A 18  ? 2.315   2.654   18.792  1 26.216 ? 57  A 1 c
ATOM 278  H HD22 . LEU Axp A 18  ? 2.387   2.986   20.342  1 26.187 ? 57  A 1 c
ATOM 279  H HD23 . LEU Axp A 18  ? 3.721   2.734   19.522  1 26.216 ? 57  A 1 c
ATOM 280  N N    . SER Axp A 19  ? 1.953   6.583   15.909  1 22.478 ? 58  A 1 .
ATOM 281  C CA   . SER Axp A 19  ? 2.744   6.721   14.7    1 21.762 ? 58  A 1 .
ATOM 282  C C    . SER Axp A 19  ? 3.097   8.184   14.436  1 21.4   ? 58  A 1 .
ATOM 283  O O    . SER Axp A 19  ? 4.052   8.445   13.698  1 21.249 ? 58  A 1 .
ATOM 284  C CB   . SER Axp A 19  ? 1.999   6.154   13.546  1 21.034 ? 58  A 1 .
ATOM 285  O OG   . SER Axp A 19  ? 0.767   6.848   13.408  1 20.422 ? 58  A 1 .
ATOM 286  H H    . SER Axp A 19  ? 1.08    6.326   15.832  1 22.713 ? 58  A 1 c
ATOM 287  H HA   . SER Axp A 19  ? 3.585   6.21    14.816  1 21.699 ? 58  A 1 c
ATOM 288  H HB3  . SER Axp A 19  ? 1.832   5.205   13.697  1 21.047 ? 58  A 1 c
ATOM 289  H HB2  . SER Axp A 19  ? 2.527   6.254   12.732  1 21.052 ? 58  A 1 c
ATOM 290  H HG   . SER Axp A 19  ? 0.327   6.612   12.831  0 13.33  ? 58  A 1 c
ATOM 291  N N    . ASP Axp A 20  ? 2.289   9.118   14.975  1 20.075 ? 59  A 1 .
ATOM 292  C CA   . ASP Axp A 20  ? 2.605   10.532  14.887  1 19.9   ? 59  A 1 .
ATOM 293  C C    . ASP Axp A 20  ? 3.923   10.828  15.589  1 18.79  ? 59  A 1 .
ATOM 294  O O    . ASP Axp A 20  ? 4.607   11.766  15.207  1 18.634 ? 59  A 1 .
ATOM 295  C CB   . ASP Axp A 20  ? 1.55    11.435  15.505  1 22.032 ? 59  A 1 .
ATOM 296  C CG   . ASP Axp A 20  ? 0.264   11.655  14.718  1 24.897 ? 59  A 1 .
ATOM 297  O OD1  . ASP Axp A 20  ? 0.193   11.202  13.542  1 25.176 ? 59  A 1 .
ATOM 298  O OD2  . ASP Axp A 20  ? -0.668  12.274  15.305  1 26.975 ? 59  A 1 .
ATOM 299  H H    . ASP Axp A 20  ? 1.517   8.865   15.392  1 20.394 ? 59  A 1 c
ATOM 300  H HA   . ASP Axp A 20  ? 2.697   10.769  13.937  1 20.129 ? 59  A 1 c
ATOM 301  H HB3  . ASP Axp A 20  ? 1.951   12.317  15.651  1 22.128 ? 59  A 1 c
ATOM 302  H HB2  . ASP Axp A 20  ? 1.308   11.077  16.383  1 22.175 ? 59  A 1 c
ATOM 303  N N    . LEU Axp A 21  ? 4.278   10.047  16.616  1 18.567 ? 60  A 1 .
ATOM 304  C CA   . LEU Axp A 21  ? 5.446   10.356  17.432  1 18.039 ? 60  A 1 .
ATOM 305  C C    . LEU Axp A 21  ? 6.734   9.804   16.801  1 17.775 ? 60  A 1 .
ATOM 306  O O    . LEU Axp A 21  ? 7.804   9.881   17.409  1 16.957 ? 60  A 1 .
ATOM 307  C CB   . LEU Axp A 21  ? 5.248   9.828   18.85   1 18.244 ? 60  A 1 .
ATOM 308  C CG   . LEU Axp A 21  ? 4.054   10.386  19.63   1 18.689 ? 60  A 1 .
ATOM 309  C CD1  . LEU Axp A 21  ? 3.703   9.527   20.834  1 18.601 ? 60  A 1 .
ATOM 310  C CD2  . LEU Axp A 21  ? 4.356   11.791  20.08   1 19.098 ? 60  A 1 .
ATOM 311  H H    . LEU Axp A 21  ? 3.775   9.314   16.827  1 18.558 ? 60  A 1 c
ATOM 312  H HA   . LEU Axp A 21  ? 5.533   11.342  17.476  1 18.145 ? 60  A 1 c
ATOM 313  H HB3  . LEU Axp A 21  ? 6.068   10.014  19.363  1 18.299 ? 60  A 1 c
ATOM 314  H HB2  . LEU Axp A 21  ? 5.153   8.849   18.8    1 18.301 ? 60  A 1 c
ATOM 315  H HG   . LEU Axp A 21  ? 3.269   10.413  19.026  1 18.665 ? 60  A 1 c
ATOM 316  H HD11 . LEU Axp A 21  ? 3.517   8.618   20.542  1 18.625 ? 60  A 1 c
ATOM 317  H HD12 . LEU Axp A 21  ? 2.917   9.891   21.275  1 18.626 ? 60  A 1 c
ATOM 318  H HD13 . LEU Axp A 21  ? 4.449   9.519   21.457  1 18.626 ? 60  A 1 c
ATOM 319  H HD21 . LEU Axp A 21  ? 4.411   12.376  19.305  1 18.97  ? 60  A 1 c
ATOM 320  H HD22 . LEU Axp A 21  ? 5.203   11.807  20.556  1 18.979 ? 60  A 1 c
ATOM 321  H HD23 . LEU Axp A 21  ? 3.648   12.103  20.669  1 18.973 ? 60  A 1 c
ATOM 322  N N    . LYS Axp A 22  ? 6.666   9.299   15.564  1 17.519 ? 61  A 1 .
ATOM 323  C CA   . LYS Axp A 22  ? 7.882   8.964   14.84   1 17.989 ? 61  A 1 .
ATOM 324  C C    . LYS Axp A 22  ? 8.838   10.157  14.706  1 18.53  ? 61  A 1 .
ATOM 325  O O    . LYS Axp A 22  ? 8.461   11.282  14.326  1 17.339 ? 61  A 1 .
ATOM 326  C CB   . LYS Axp A 22  ? 7.601   8.343   13.472  1 17.761 ? 61  A 1 .
ATOM 327  C CG   . LYS Axp A 22  ? 7.733   6.841   13.515  1 17.882 ? 61  A 1 .
ATOM 328  C CD   . LYS Axp A 22  ? 6.879   6.149   12.475  1 17.923 ? 61  A 1 .
ATOM 329  C CE   . LYS Axp A 22  ? 6.801   4.704   12.768  1 18.139 ? 61  A 1 .
ATOM 330  N NZ   . LYS Axp A 22  ? 5.918   4.138   11.751  1 18.755 ? 61  A 1 .
ATOM 331  H H    . LYS Axp A 22  ? 5.856   9.142   15.172  1 17.702 ? 61  A 1 c
ATOM 332  H HA   . LYS Axp A 22  ? 8.351   8.272   15.372  1 17.945 ? 61  A 1 c
ATOM 333  H HB3  . LYS Axp A 22  ? 8.234   8.698   12.815  1 17.806 ? 61  A 1 c
ATOM 334  H HB2  . LYS Axp A 22  ? 6.694   8.579   13.183  1 17.847 ? 61  A 1 c
ATOM 335  H HG3  . LYS Axp A 22  ? 7.472   6.525   14.408  1 17.869 ? 61  A 1 c
ATOM 336  H HG2  . LYS Axp A 22  ? 8.675   6.603   13.371  1 17.864 ? 61  A 1 c
ATOM 337  H HD3  . LYS Axp A 22  ? 7.272   6.281   11.585  1 17.968 ? 61  A 1 c
ATOM 338  H HD2  . LYS Axp A 22  ? 5.974   6.532   12.482  1 17.968 ? 61  A 1 c
ATOM 339  H HE3  . LYS Axp A 22  ? 6.431   4.547   13.655  1 18.236 ? 61  A 1 c
ATOM 340  H HE2  . LYS Axp A 22  ? 7.68    4.293   12.703  1 18.269 ? 61  A 1 c
ATOM 341  H HZ1  . LYS Axp A 22  ? 6.242   4.312   10.923  1 18.553 ? 61  A 1 c
ATOM 342  H HZ2  . LYS Axp A 22  ? 5.087   4.492   11.828  1 18.553 ? 61  A 1 c
ATOM 343  H HZ3  . LYS Axp A 22  ? 5.866   3.24    11.863  1 18.559 ? 61  A 1 c
ATOM 344  N N    . GLY Axp A 23  ? 10.112  9.839   14.994  1 17.937 ? 62  A 1 .
ATOM 345  C CA   . GLY Axp A 23  ? 11.166  10.824  15.126  1 17.622 ? 62  A 1 .
ATOM 346  C C    . GLY Axp A 23  ? 11.593  10.96   16.584  1 17.2   ? 62  A 1 .
ATOM 347  O O    . GLY Axp A 23  ? 12.771  11.215  16.865  1 17.449 ? 62  A 1 .
ATOM 348  H H    . GLY Axp A 23  ? 10.33   8.959   15.106  1 18.003 ? 62  A 1 c
ATOM 349  H HA3  . GLY Axp A 23  ? 10.849  11.695  14.79   1 17.605 ? 62  A 1 c
ATOM 350  H HA2  . GLY Axp A 23  ? 11.939  10.548  14.579  1 17.602 ? 62  A 1 c
ATOM 351  N N    . LYS Axp A 24  ? 10.62   10.774  17.493  1 15.593 ? 63  A 1 .
ATOM 352  C CA   . LYS Axp A 24  ? 10.873  10.832  18.918  1 14.81  ? 63  A 1 .
ATOM 353  C C    . LYS Axp A 24  ? 10.932  9.43    19.518  1 14.045 ? 63  A 1 .
ATOM 354  O O    . LYS Axp A 24  ? 10.265  8.512   19.046  1 14.392 ? 63  A 1 .
ATOM 355  C CB   . LYS Axp A 24  ? 9.752   11.634  19.576  1 15.149 ? 63  A 1 .
ATOM 356  C CG   . LYS Axp A 24  ? 9.835   13.133  19.429  1 15.289 ? 63  A 1 .
ATOM 357  C CD   . LYS Axp A 24  ? 8.44    13.737  19.354  1 15.883 ? 63  A 1 .
ATOM 358  C CE   . LYS Axp A 24  ? 8.442   15.168  18.936  1 16.698 ? 63  A 1 .
ATOM 359  N NZ   . LYS Axp A 24  ? 9.25    15.902  19.915  1 17.76  ? 63  A 1 .
ATOM 360  H H    . LYS Axp A 24  ? 9.767   10.612  17.209  1 15.808 ? 63  A 1 c
ATOM 361  H HA   . LYS Axp A 24  ? 11.738  11.289  19.072  1 14.887 ? 63  A 1 c
ATOM 362  H HB3  . LYS Axp A 24  ? 9.745   11.424  20.535  1 15.103 ? 63  A 1 c
ATOM 363  H HB2  . LYS Axp A 24  ? 8.897   11.333  19.205  1 15.13  ? 63  A 1 c
ATOM 364  H HG3  . LYS Axp A 24  ? 10.333  13.35   18.611  1 15.39  ? 63  A 1 c
ATOM 365  H HG2  . LYS Axp A 24  ? 10.316  13.506  20.199  1 15.412 ? 63  A 1 c
ATOM 366  H HD3  . LYS Axp A 24  ? 8.011   13.661  20.234  1 15.939 ? 63  A 1 c
ATOM 367  H HD2  . LYS Axp A 24  ? 7.902   13.222  18.714  1 15.922 ? 63  A 1 c
ATOM 368  H HE3  . LYS Axp A 24  ? 7.535   15.523  18.925  1 16.75  ? 63  A 1 c
ATOM 369  H HE2  . LYS Axp A 24  ? 8.834   15.264  18.049  1 16.749 ? 63  A 1 c
ATOM 370  H HZ1  . LYS Axp A 24  ? 10.128  15.842  19.7    1 17.393 ? 63  A 1 c
ATOM 371  H HZ2  . LYS Axp A 24  ? 9.123   15.57   20.749  1 17.388 ? 63  A 1 c
ATOM 372  H HZ3  . LYS Axp A 24  ? 9.008   16.775  19.91   1 17.413 ? 63  A 1 c
ATOM 373  N N    . GLY Axp A 25  ? 11.723  9.286   20.584  1 13.044 ? 64  A 1 .
ATOM 374  C CA   . GLY Axp A 25  ? 11.684  8.088   21.401  1 12.747 ? 64  A 1 .
ATOM 375  C C    . GLY Axp A 25  ? 10.447  8.092   22.295  1 12.58  ? 64  A 1 .
ATOM 376  O O    . GLY Axp A 25  ? 10.06   9.144   22.806  1 12.069 ? 64  A 1 .
ATOM 377  H H    . GLY Axp A 25  ? 12.305  9.954   20.809  1 13.23  ? 64  A 1 c
ATOM 378  H HA3  . GLY Axp A 25  ? 12.496  8.049   21.959  1 12.803 ? 64  A 1 c
ATOM 379  H HA2  . GLY Axp A 25  ? 11.673  7.294   20.818  1 12.813 ? 64  A 1 c
ATOM 380  N N    . VAL Axp A 26  ? 9.832   6.916   22.485  1 12.537 ? 65  A 1 .
ATOM 381  C CA   . VAL Axp A 26  ? 8.569   6.868   23.199  1 12.691 ? 65  A 1 .
ATOM 382  C C    . VAL Axp A 26  ? 8.704   5.953   24.409  1 12.427 ? 65  A 1 .
ATOM 383  O O    . VAL Axp A 26  ? 9.022   4.778   24.277  1 12.448 ? 65  A 1 .
ATOM 384  C CB   . VAL Axp A 26  ? 7.37    6.501   22.3    1 12.565 ? 65  A 1 .
ATOM 385  C CG1  . VAL Axp A 26  ? 6.127   6.148   23.106  1 12.338 ? 65  A 1 .
ATOM 386  C CG2  . VAL Axp A 26  ? 7.037   7.66    21.364  1 12.718 ? 65  A 1 .
ATOM 387  H H    . VAL Axp A 26  ? 10.202  6.141   22.17   1 12.585 ? 65  A 1 c
ATOM 388  H HA   . VAL Axp A 26  ? 8.398   7.765   23.536  1 12.597 ? 65  A 1 c
ATOM 389  H HB   . VAL Axp A 26  ? 7.63    5.721   21.758  1 12.597 ? 65  A 1 c
ATOM 390  H HG11 . VAL Axp A 26  ? 6.042   6.759   23.857  1 12.406 ? 65  A 1 c
ATOM 391  H HG12 . VAL Axp A 26  ? 6.201   5.237   23.436  1 12.411 ? 65  A 1 c
ATOM 392  H HG13 . VAL Axp A 26  ? 5.341   6.223   22.539  1 12.409 ? 65  A 1 c
ATOM 393  H HG21 . VAL Axp A 26  ? 6.38    7.369   20.709  1 12.67  ? 65  A 1 c
ATOM 394  H HG22 . VAL Axp A 26  ? 7.843   7.949   20.906  1 12.671 ? 65  A 1 c
ATOM 395  H HG23 . VAL Axp A 26  ? 6.674   8.4     21.879  1 12.672 ? 65  A 1 c
ATOM 396  N N    . PHE Axp A 27  ? 8.459   6.539   25.583  1 12.34  ? 66  A 1 .
ATOM 397  C CA   . PHE Axp A 27  ? 8.352   5.808   26.828  1 12.651 ? 66  A 1 .
ATOM 398  C C    . PHE Axp A 27  ? 6.895   5.412   27.037  1 12.912 ? 66  A 1 .
ATOM 399  O O    . PHE Axp A 27  ? 6.106   6.173   27.61   1 12.204 ? 66  A 1 .
ATOM 400  C CB   . PHE Axp A 27  ? 8.864   6.7     27.957  1 13.017 ? 66  A 1 .
ATOM 401  C CG   . PHE Axp A 27  ? 9.295   5.954   29.208  1 12.861 ? 66  A 1 .
ATOM 402  C CD1  . PHE Axp A 27  ? 10.593  5.461   29.316  1 13.308 ? 66  A 1 .
ATOM 403  C CD2  . PHE Axp A 27  ? 8.417   5.75    30.262  1 12.768 ? 66  A 1 .
ATOM 404  C CE1  . PHE Axp A 27  ? 11.017  4.788   30.454  1 13.007 ? 66  A 1 .
ATOM 405  C CE2  . PHE Axp A 27  ? 8.841   5.071   31.397  1 13.214 ? 66  A 1 .
ATOM 406  C CZ   . PHE Axp A 27  ? 10.141  4.598   31.488  1 13.088 ? 66  A 1 .
ATOM 407  H H    . PHE Axp A 27  ? 8.353   7.447   25.607  1 12.441 ? 66  A 1 c
ATOM 408  H HA   . PHE Axp A 27  ? 8.914   4.99    26.779  1 12.705 ? 66  A 1 c
ATOM 409  H HB3  . PHE Axp A 27  ? 8.159   7.341   28.197  1 12.904 ? 66  A 1 c
ATOM 410  H HB2  . PHE Axp A 27  ? 9.63    7.216   27.62   1 12.892 ? 66  A 1 c
ATOM 411  H HD1  . PHE Axp A 27  ? 11.2    5.6     28.606  1 13.13  ? 66  A 1 c
ATOM 412  H HD2  . PHE Axp A 27  ? 7.533   6.077   30.209  1 12.898 ? 66  A 1 c
ATOM 413  H HE1  . PHE Axp A 27  ? 11.9    4.462   30.511  1 13.093 ? 66  A 1 c
ATOM 414  H HE2  . PHE Axp A 27  ? 8.241   4.936   32.113  1 13.079 ? 66  A 1 c
ATOM 415  H HZ   . PHE Axp A 27  ? 10.42   4.132   32.261  1 13.096 ? 66  A 1 c
ATOM 416  N N    . LEU Axp A 28  ? 6.565   4.203   26.564  1 13.146 ? 67  A 1 .
ATOM 417  C CA   . LEU Axp A 28  ? 5.185   3.775   26.49   1 13.32  ? 67  A 1 .
ATOM 418  C C    . LEU Axp A 28  ? 4.876   2.992   27.747  1 13.672 ? 67  A 1 .
ATOM 419  O O    . LEU Axp A 28  ? 5.213   1.822   27.847  1 14.166 ? 67  A 1 .
ATOM 420  C CB   . LEU Axp A 28  ? 4.874   2.946   25.245  1 13.228 ? 67  A 1 .
ATOM 421  C CG   . LEU Axp A 28  ? 3.386   2.657   25.023  1 13.194 ? 67  A 1 .
ATOM 422  C CD1  . LEU Axp A 28  ? 2.581   3.959   24.944  1 13.386 ? 67  A 1 .
ATOM 423  C CD2  . LEU Axp A 28  ? 3.173   1.833   23.786  1 13.089 ? 67  A 1 .
ATOM 424  H H    . LEU Axp A 28  ? 7.221   3.632   26.28   1 13.122 ? 67  A 1 c
ATOM 425  H HA   . LEU Axp A 28  ? 4.617   4.585   26.479  1 13.34  ? 67  A 1 c
ATOM 426  H HB3  . LEU Axp A 28  ? 5.354   2.09    25.313  1 13.255 ? 67  A 1 c
ATOM 427  H HB2  . LEU Axp A 28  ? 5.22    3.427   24.458  1 13.238 ? 67  A 1 c
ATOM 428  H HG   . LEU Axp A 28  ? 3.052   2.136   25.798  1 13.217 ? 67  A 1 c
ATOM 429  H HD11 . LEU Axp A 28  ? 2.39    4.278   25.841  1 13.343 ? 67  A 1 c
ATOM 430  H HD12 . LEU Axp A 28  ? 1.745   3.797   24.476  1 13.382 ? 67  A 1 c
ATOM 431  H HD13 . LEU Axp A 28  ? 3.095   4.631   24.464  1 13.341 ? 67  A 1 c
ATOM 432  H HD21 . LEU Axp A 28  ? 3.731   1.038   23.825  1 13.121 ? 67  A 1 c
ATOM 433  H HD22 . LEU Axp A 28  ? 3.41    2.357   23.002  1 13.121 ? 67  A 1 c
ATOM 434  H HD23 . LEU Axp A 28  ? 2.239   1.57    23.728  1 13.122 ? 67  A 1 c
ATOM 435  N N    . ASN Axp A 29  ? 4.154   3.645   28.65   1 14.554 ? 68  A 1 .
ATOM 436  C CA   . ASN Axp A 29  ? 3.941   3.123   29.981  1 15.481 ? 68  A 1 .
ATOM 437  C C    . ASN Axp A 29  ? 2.47    2.803   30.208  1 14.402 ? 68  A 1 .
ATOM 438  O O    . ASN Axp A 29  ? 1.636   3.692   30.165  1 13.462 ? 68  A 1 .
ATOM 439  C CB   . ASN Axp A 29  ? 4.401   4.138   31.013  1 17.165 ? 68  A 1 .
ATOM 440  C CG   . ASN Axp A 29  ? 4.391   3.519   32.376  1 18.717 ? 68  A 1 .
ATOM 441  O OD1  . ASN Axp A 29  ? 5.171   2.594   32.614  1 20.166 ? 68  A 1 .
ATOM 442  N ND2  . ASN Axp A 29  ? 3.5     3.98    33.24   1 19.461 ? 68  A 1 .
ATOM 443  H H    . ASN Axp A 29  ? 3.777   4.448   28.429  1 14.521 ? 68  A 1 c
ATOM 444  H HA   . ASN Axp A 29  ? 4.478   2.307   30.096  1 15.404 ? 68  A 1 c
ATOM 445  H HB3  . ASN Axp A 29  ? 3.808   4.916   30.997  1 17.064 ? 68  A 1 c
ATOM 446  H HB2  . ASN Axp A 29  ? 5.307   4.437   30.797  1 17.098 ? 68  A 1 c
ATOM 447  H HD21 . ASN Axp A 29  ? 3.304   3.505   33.962  1 19.136 ? 68  A 1 c
ATOM 448  H HD22 . ASN Axp A 29  ? 3.103   4.761   33.102  1 19.173 ? 68  A 1 c
ATOM 449  N N    . PHE Axp A 30  ? 2.178   1.531   30.497  1 14.693 ? 69  A 1 .
ATOM 450  C CA   . PHE Axp A 30  ? 0.832   1.087   30.842  1 14.73  ? 69  A 1 .
ATOM 451  C C    . PHE Axp A 30  ? 0.65    1.003   32.352  1 14.304 ? 69  A 1 .
ATOM 452  O O    . PHE Axp A 30  ? 1.492   0.412   33.017  1 15.535 ? 69  A 1 .
ATOM 453  C CB   . PHE Axp A 30  ? 0.59    -0.311  30.291  1 14.926 ? 69  A 1 .
ATOM 454  C CG   . PHE Axp A 30  ? 0.352   -0.288  28.794  1 15.474 ? 69  A 1 .
ATOM 455  C CD1  . PHE Axp A 30  ? -0.906  -0.012  28.28   1 15.407 ? 69  A 1 .
ATOM 456  C CD2  . PHE Axp A 30  ? 1.386   -0.529  27.913  1 16.357 ? 69  A 1 .
ATOM 457  C CE1  . PHE Axp A 30  ? -1.121  0.004   26.921  1 15.525 ? 69  A 1 .
ATOM 458  C CE2  . PHE Axp A 30  ? 1.155   -0.525  26.552  1 16.674 ? 69  A 1 .
ATOM 459  C CZ   . PHE Axp A 30  ? -0.096  -0.257  26.064  1 16.088 ? 69  A 1 .
ATOM 460  H H    . PHE Axp A 30  ? 2.849   0.91    30.48   1 14.648 ? 69  A 1 c
ATOM 461  H HA   . PHE Axp A 30  ? 0.166   1.713   30.458  1 14.646 ? 69  A 1 c
ATOM 462  H HB3  . PHE Axp A 30  ? -0.196  -0.699  30.738  1 15.001 ? 69  A 1 c
ATOM 463  H HB2  . PHE Axp A 30  ? 1.372   -0.873  30.488  1 15.008 ? 69  A 1 c
ATOM 464  H HD1  . PHE Axp A 30  ? -1.623  0.159   28.87   1 15.464 ? 69  A 1 c
ATOM 465  H HD2  . PHE Axp A 30  ? 2.248   -0.726  28.244  1 16.191 ? 69  A 1 c
ATOM 466  H HE1  . PHE Axp A 30  ? -1.984  0.187   26.584  1 15.638 ? 69  A 1 c
ATOM 467  H HE2  . PHE Axp A 30  ? 1.866   -0.694  25.955  1 16.438 ? 69  A 1 c
ATOM 468  H HZ   . PHE Axp A 30  ? -0.244  -0.239  25.133  1 16.151 ? 69  A 1 c
ATOM 469  N N    . TRP Axp A 31  ? -0.45   1.56    32.887  1 13.099 ? 70  A 1 .
ATOM 470  C CA   . TRP Axp A 31  ? -0.587  1.693   34.333  1 12.044 ? 70  A 1 .
ATOM 471  C C    . TRP Axp A 31  ? -2.044  1.775   34.802  1 11.533 ? 70  A 1 .
ATOM 472  O O    . TRP Axp A 31  ? -2.952  2.067   34.035  1 11.616 ? 70  A 1 .
ATOM 473  C CB   . TRP Axp A 31  ? 0.183   2.939   34.781  1 11.488 ? 70  A 1 .
ATOM 474  C CG   . TRP Axp A 31  ? -0.491  4.202   34.335  1 10.854 ? 70  A 1 .
ATOM 475  C CD1  . TRP Axp A 31  ? -0.429  4.762   33.099  1 10.767 ? 70  A 1 .
ATOM 476  C CD2  . TRP Axp A 31  ? -1.368  5.034   35.114  1 10.744 ? 70  A 1 .
ATOM 477  N NE1  . TRP Axp A 31  ? -1.19   5.894   33.063  1 10.743 ? 70  A 1 .
ATOM 478  C CE2  . TRP Axp A 31  ? -1.775  6.088   34.282  1 10.662 ? 70  A 1 .
ATOM 479  C CE3  . TRP Axp A 31  ? -1.851  5.002   36.428  1 11.12  ? 70  A 1 .
ATOM 480  C CZ2  . TRP Axp A 31  ? -2.632  7.092   34.724  1 10.682 ? 70  A 1 .
ATOM 481  C CZ3  . TRP Axp A 31  ? -2.713  5.989   36.858  1 10.922 ? 70  A 1 .
ATOM 482  C CH2  . TRP Axp A 31  ? -3.083  7.028   36.021  1 10.617 ? 70  A 1 .
ATOM 483  H H    . TRP Axp A 31  ? -1.122  1.858   32.345  1 13.139 ? 70  A 1 c
ATOM 484  H HA   . TRP Axp A 31  ? -0.166  0.899   34.761  1 12.067 ? 70  A 1 c
ATOM 485  H HB3  . TRP Axp A 31  ? 1.088   2.906   34.404  1 11.513 ? 70  A 1 c
ATOM 486  H HB2  . TRP Axp A 31  ? 0.245   2.937   35.76   1 11.47  ? 70  A 1 c
ATOM 487  H HD1  . TRP Axp A 31  ? 0.076   4.433   32.372  1 10.785 ? 70  A 1 c
ATOM 488  H HE1  . TRP Axp A 31  ? -1.284  6.419   32.373  1 10.739 ? 70  A 1 c
ATOM 489  H HE3  . TRP Axp A 31  ? -1.591  4.311   37.008  1 10.988 ? 70  A 1 c
ATOM 490  H HZ2  . TRP Axp A 31  ? -2.9    7.787   34.15   1 10.681 ? 70  A 1 c
ATOM 491  H HZ3  . TRP Axp A 31  ? -3.026  5.977   37.747  1 10.906 ? 70  A 1 c
ATOM 492  H HH2  . TRP Axp A 31  ? -3.671  7.691   36.338  1 10.706 ? 70  A 1 c
ATOM 493  N N    . GLY Axp A 32  ? -2.241  1.54    36.103  1 11.432 ? 71  A 1 .
ATOM 494  C CA   . GLY Axp A 32  ? -3.49   1.841   36.79   1 11.565 ? 71  A 1 .
ATOM 495  C C    . GLY Axp A 32  ? -3.229  2.521   38.132  1 11.673 ? 71  A 1 .
ATOM 496  O O    . GLY Axp A 32  ? -2.124  2.465   38.644  1 11.726 ? 71  A 1 .
ATOM 497  H H    . GLY Axp A 32  ? -1.56   1.172   36.589  1 11.495 ? 71  A 1 c
ATOM 498  H HA3  . GLY Axp A 32  ? -3.989  1.004   36.935  1 11.557 ? 71  A 1 c
ATOM 499  H HA2  . GLY Axp A 32  ? -4.041  2.43    36.224  1 11.557 ? 71  A 1 c
ATOM 500  N N    . THR Axp A 33  ? -4.251  3.157   38.712  1 12.187 ? 72  A 1 .
ATOM 501  C CA   . THR Axp A 33  ? -4.061  3.946   39.925  1 12.772 ? 72  A 1 .
ATOM 502  C C    . THR Axp A 33  ? -3.786  3.058   41.134  1 13.05  ? 72  A 1 .
ATOM 503  O O    . THR Axp A 33  ? -3.204  3.51    42.108  1 13.048 ? 72  A 1 .
ATOM 504  C CB   . THR Axp A 33  ? -5.243  4.86    40.246  1 12.752 ? 72  A 1 .
ATOM 505  O OG1  . THR Axp A 33  ? -6.275  3.929   40.551  1 13.294 ? 72  A 1 .
ATOM 506  C CG2  . THR Axp A 33  ? -5.589  5.826   39.124  1 12.725 ? 72  A 1 .
ATOM 507  H H    . THR Axp A 33  ? -5.087  3.098   38.347  1 12.206 ? 72  A 1 c
ATOM 508  H HA   . THR Axp A 33  ? -3.274  4.517   39.785  1 12.692 ? 72  A 1 c
ATOM 509  H HB   . THR Axp A 33  ? -5.034  5.385   41.055  1 12.856 ? 72  A 1 c
ATOM 510  H HG1  . THR Axp A 33  ? -6.487  3.512   39.85   0 8.78   ? 72  A 1 c
ATOM 511  H HG21 . THR Axp A 33  ? -6.553  5.848   39.002  1 12.746 ? 72  A 1 c
ATOM 512  H HG22 . THR Axp A 33  ? -5.166  5.536   38.3    1 12.734 ? 72  A 1 c
ATOM 513  H HG23 . THR Axp A 33  ? -5.273  6.714   39.352  1 12.798 ? 72  A 1 c
ATOM 514  N N    . TRP Axp A 34  ? -4.224  1.806   41.107  1 13.728 ? 73  A 1 .
ATOM 515  C CA   . TRP Axp A 34  ? -4.072  0.958   42.279  1 14.273 ? 73  A 1 .
ATOM 516  C C    . TRP Axp A 34  ? -2.633  0.468   42.454  1 14.869 ? 73  A 1 .
ATOM 517  O O    . TRP Axp A 34  ? -2.272  0.07    43.555  1 14.928 ? 73  A 1 .
ATOM 518  C CB   . TRP Axp A 34  ? -5.013  -0.233  42.158  1 13.945 ? 73  A 1 .
ATOM 519  C CG   . TRP Axp A 34  ? -4.719  -1.026  40.924  1 13.914 ? 73  A 1 .
ATOM 520  C CD1  . TRP Axp A 34  ? -3.775  -1.989  40.765  1 14.503 ? 73  A 1 .
ATOM 521  C CD2  . TRP Axp A 34  ? -5.393  -0.912  39.666  1 14.351 ? 73  A 1 .
ATOM 522  N NE1  . TRP Axp A 34  ? -3.81   -2.491  39.496  1 14.514 ? 73  A 1 .
ATOM 523  C CE2  . TRP Axp A 34  ? -4.798  -1.847  38.802  1 14.611 ? 73  A 1 .
ATOM 524  C CE3  . TRP Axp A 34  ? -6.448  -0.129  39.196  1 15.615 ? 73  A 1 .
ATOM 525  C CZ2  . TRP Axp A 34  ? -5.228  -2.011  37.489  1 15.846 ? 73  A 1 .
ATOM 526  C CZ3  . TRP Axp A 34  ? -6.873  -0.296  37.896  1 16.122 ? 73  A 1 .
ATOM 527  C CH2  . TRP Axp A 34  ? -6.281  -1.236  37.06   1 16.223 ? 73  A 1 .
ATOM 528  H H    . TRP Axp A 34  ? -4.633  1.478   40.36   1 13.67  ? 73  A 1 c
ATOM 529  H HA   . TRP Axp A 34  ? -4.332  1.48    43.085  1 14.197 ? 73  A 1 c
ATOM 530  H HB3  . TRP Axp A 34  ? -5.937  0.094   42.12   1 14.012 ? 73  A 1 c
ATOM 531  H HB2  . TRP Axp A 34  ? -4.902  -0.808  42.945  1 14.016 ? 73  A 1 c
ATOM 532  H HD1  . TRP Axp A 34  ? -3.172  -2.273  41.432  1 14.374 ? 73  A 1 c
ATOM 533  H HE1  . TRP Axp A 34  ? -3.289  -3.117  39.181  1 14.537 ? 73  A 1 c
ATOM 534  H HE3  . TRP Axp A 34  ? -6.863  0.501   39.76   1 15.427 ? 73  A 1 c
ATOM 535  H HZ2  . TRP Axp A 34  ? -4.826  -2.646  36.921  1 15.704 ? 73  A 1 c
ATOM 536  H HZ3  . TRP Axp A 34  ? -7.584  0.23    37.57   1 15.994 ? 73  A 1 c
ATOM 537  H HH2  . TRP Axp A 34  ? -6.582  -1.318  36.172  1 16.083 ? 73  A 1 c
ATOM 538  N N    . ALA Axp A 35  ? -1.839  0.488   41.37   1 15.638 ? 74  A 1 .
ATOM 539  C CA   . ALA Axp A 35  ? -0.535  -0.164  41.297  1 16.32  ? 74  A 1 .
ATOM 540  C C    . ALA Axp A 35  ? 0.514   0.601   42.084  1 18.049 ? 74  A 1 .
ATOM 541  O O    . ALA Axp A 35  ? 0.844   1.714   41.706  1 17.549 ? 74  A 1 .
ATOM 542  C CB   . ALA Axp A 35  ? -0.102  -0.247  39.859  1 16.074 ? 74  A 1 .
ATOM 543  H H    . ALA Axp A 35  ? -2.132  0.934   40.629  1 15.569 ? 74  A 1 c
ATOM 544  H HA   . ALA Axp A 35  ? -0.616  -1.083  41.676  1 16.492 ? 74  A 1 c
ATOM 545  H HB3  . ALA Axp A 35  ? 0.79    -0.631  39.808  1 16.158 ? 74  A 1 c
ATOM 546  H HB2  . ALA Axp A 35  ? -0.091  0.643   39.468  1 16.152 ? 74  A 1 c
ATOM 547  H HB1  . ALA Axp A 35  ? -0.722  -0.808  39.363  1 16.15  ? 74  A 1 c
ATOM 548  N N    . GLU Axp A 36  ? 1.094   -0.02   43.121  1 21.027 ? 75  A 1 .
ATOM 549  C CA   . GLU Axp A 36  ? 1.967   0.718   44.027  1 23.008 ? 75  A 1 .
ATOM 550  C C    . GLU Axp A 36  ? 3.239   1.138   43.296  1 20.272 ? 75  A 1 .
ATOM 551  O O    . GLU Axp A 36  ? 3.774   2.177   43.633  1 19.081 ? 75  A 1 .
ATOM 552  C CB   . GLU Axp A 36  ? 2.331   0.062   45.369  1 27.317 ? 75  A 1 .
ATOM 553  C CG   . GLU Axp A 36  ? 1.17    -0.197  46.334  1 31.557 ? 75  A 1 .
ATOM 554  C CD   . GLU Axp A 36  ? 0.345   0.979   46.85   1 35.434 ? 75  A 1 .
ATOM 555  O OE1  . GLU Axp A 36  ? 0.895   1.982   47.391  1 38.4   ? 75  A 1 .
ATOM 556  O OE2  . GLU Axp A 36  ? -0.901  0.857   46.713  1 36.369 ? 75  A 1 .
ATOM 557  H H    . GLU Axp A 36  ? 0.943   -0.91   43.27   1 20.604 ? 75  A 1 c
ATOM 558  H HA   . GLU Axp A 36  ? 1.488   1.552   44.267  1 22.772 ? 75  A 1 c
ATOM 559  H HB3  . GLU Axp A 36  ? 2.982   0.633   45.827  1 27.114 ? 75  A 1 c
ATOM 560  H HB2  . GLU Axp A 36  ? 2.769   -0.795  45.185  1 27.148 ? 75  A 1 c
ATOM 561  H HG3  . GLU Axp A 36  ? 1.528   -0.669  47.115  1 31.368 ? 75  A 1 c
ATOM 562  H HG2  . GLU Axp A 36  ? 0.551   -0.822  45.899  1 31.392 ? 75  A 1 c
ATOM 563  N N    . PRO Axp A 37  ? 3.799   0.37    42.327  1 19.793 ? 76  A 1 .
ATOM 564  C CA   . PRO Axp A 37  ? 4.946   0.855   41.568  1 19.48  ? 76  A 1 .
ATOM 565  C C    . PRO Axp A 37  ? 4.711   2.224   40.942  1 20.382 ? 76  A 1 .
ATOM 566  O O    . PRO Axp A 37  ? 5.532   3.122   41.09   1 24.251 ? 76  A 1 .
ATOM 567  C CB   . PRO Axp A 37  ? 5.195   -0.242  40.543  1 18.406 ? 76  A 1 .
ATOM 568  C CG   . PRO Axp A 37  ? 4.65    -1.488  41.216  1 18.099 ? 76  A 1 .
ATOM 569  C CD   . PRO Axp A 37  ? 3.447   -1.021  41.979  1 19.055 ? 76  A 1 .
ATOM 570  H HA   . PRO Axp A 37  ? 5.721   0.908   42.165  1 19.524 ? 76  A 1 c
ATOM 571  H HB3  . PRO Axp A 37  ? 6.149   -0.334  40.354  1 18.582 ? 76  A 1 c
ATOM 572  H HB2  . PRO Axp A 37  ? 4.72    -0.057  39.71   1 18.625 ? 76  A 1 c
ATOM 573  H HG3  . PRO Axp A 37  ? 5.313   -1.876  41.822  1 18.383 ? 76  A 1 c
ATOM 574  H HG2  . PRO Axp A 37  ? 4.397   -2.161  40.553  1 18.383 ? 76  A 1 c
ATOM 575  H HD3  . PRO Axp A 37  ? 2.645   -1.05   41.424  1 19.009 ? 76  A 1 c
ATOM 576  H HD2  . PRO Axp A 37  ? 3.305   -1.556  42.784  1 19.012 ? 76  A 1 c
ATOM 577  N N    . ALA Axp A 38  ? 3.57    2.415   40.288  1 19.68  ? 77  A 1 .
ATOM 578  C CA   . ALA Axp A 38  ? 3.33    3.665   39.593  1 19.663 ? 77  A 1 .
ATOM 579  C C    . ALA Axp A 38  ? 3.283   4.838   40.57   1 20.208 ? 77  A 1 .
ATOM 580  O O    . ALA Axp A 38  ? 3.386   5.976   40.163  1 21.199 ? 77  A 1 .
ATOM 581  C CB   . ALA Axp A 38  ? 2.06    3.566   38.791  1 19.954 ? 77  A 1 .
ATOM 582  H H    . ALA Axp A 38  ? 2.932   1.761   40.27   1 19.84  ? 77  A 1 c
ATOM 583  H HA   . ALA Axp A 38  ? 4.091   3.818   38.967  1 19.842 ? 77  A 1 c
ATOM 584  H HB3  . ALA Axp A 38  ? 1.874   4.42    38.365  1 19.869 ? 77  A 1 c
ATOM 585  H HB2  . ALA Axp A 38  ? 1.321   3.332   39.377  1 19.868 ? 77  A 1 c
ATOM 586  H HB1  . ALA Axp A 38  ? 2.157   2.881   38.108  1 19.868 ? 77  A 1 c
ATOM 587  N N    . LYS Axp A 39  ? 3.12    4.593   41.864  1 21.12  ? 78  A 1 .
ATOM 588  C CA   . LYS Axp A 39  ? 3.094   5.695   42.811  1 22.662 ? 78  A 1 .
ATOM 589  C C    . LYS Axp A 39  ? 4.527   6.148   43.114  1 24.874 ? 78  A 1 .
ATOM 590  O O    . LYS Axp A 39  ? 4.801   7.334   43.353  1 25.711 ? 78  A 1 .
ATOM 591  C CB   . LYS Axp A 39  ? 2.302   5.261   44.052  1 22.073 ? 78  A 1 .
ATOM 592  C CG   . LYS Axp A 39  ? 0.848   4.911   43.821  1 21.597 ? 78  A 1 .
ATOM 593  C CD   . LYS Axp A 39  ? 0.269   4.351   45.105  1 23.656 ? 78  A 1 .
ATOM 594  C CE   . LYS Axp A 39  ? -1.128  3.849   44.985  1 25.567 ? 78  A 1 .
ATOM 595  N NZ   . LYS Axp A 39  ? -1.718  3.412   46.254  1 26.137 ? 78  A 1 .
ATOM 596  H H    . LYS Axp A 39  ? 2.996   3.74    42.166  1 21.241 ? 78  A 1 c
ATOM 597  H HA   . LYS Axp A 39  ? 2.61    6.452   42.394  1 22.603 ? 78  A 1 c
ATOM 598  H HB3  . LYS Axp A 39  ? 2.341   5.985   44.712  1 22.093 ? 78  A 1 c
ATOM 599  H HB2  . LYS Axp A 39  ? 2.748   4.481   44.445  1 22.095 ? 78  A 1 c
ATOM 600  H HG3  . LYS Axp A 39  ? 0.781   4.242   43.105  1 22.149 ? 78  A 1 c
ATOM 601  H HG2  . LYS Axp A 39  ? 0.356   5.718   43.555  1 22.139 ? 78  A 1 c
ATOM 602  H HD3  . LYS Axp A 39  ? 0.296   5.049   45.795  1 23.621 ? 78  A 1 c
ATOM 603  H HD2  . LYS Axp A 39  ? 0.842   3.616   45.41   1 23.643 ? 78  A 1 c
ATOM 604  H HE3  . LYS Axp A 39  ? -1.14   3.1     44.363  1 25.251 ? 78  A 1 c
ATOM 605  H HE2  . LYS Axp A 39  ? -1.685  4.554   44.61   1 25.251 ? 78  A 1 c
ATOM 606  H HZ1  . LYS Axp A 39  ? -2.427  3.938   46.456  1 25.962 ? 78  A 1 c
ATOM 607  H HZ2  . LYS Axp A 39  ? -1.108  3.471   46.921  1 25.972 ? 78  A 1 c
ATOM 608  H HZ3  . LYS Axp A 39  ? -1.999  2.554   46.181  1 25.991 ? 78  A 1 c
ATOM 609  N N    . LYS Axp A 40  ? 5.43    5.163   43.124  1 26.669 ? 79  A 1 .
ATOM 610  C CA   . LYS Axp A 40  ? 6.851   5.371   43.333  1 28.023 ? 79  A 1 .
ATOM 611  C C    . LYS Axp A 40  ? 7.465   6.094   42.14   1 25.448 ? 79  A 1 .
ATOM 612  O O    . LYS Axp A 40  ? 8.292   6.987   42.298  1 24.482 ? 79  A 1 .
ATOM 613  C CB   . LYS Axp A 40  ? 7.503   3.998   43.56   1 31.591 ? 79  A 1 .
ATOM 614  C CG   . LYS Axp A 40  ? 7.733   3.598   45.044  1 35.174 ? 79  A 1 .
ATOM 615  C CD   . LYS Axp A 40  ? 6.582   3.756   46.043  1 41.685 ? 79  A 1 .
ATOM 616  C CE   . LYS Axp A 40  ? 6.859   4.43    47.394  1 47.931 ? 79  A 1 .
ATOM 617  N NZ   . LYS Axp A 40  ? 8.1     4.071   48.101  1 50.798 ? 79  A 1 .
ATOM 618  H H    . LYS Axp A 40  ? 5.135   4.306   43.002  1 26.484 ? 79  A 1 c
ATOM 619  H HA   . LYS Axp A 40  ? 6.971   5.929   44.144  1 27.852 ? 79  A 1 c
ATOM 620  H HB3  . LYS Axp A 40  ? 8.372   3.989   43.105  1 31.43  ? 79  A 1 c
ATOM 621  H HB2  . LYS Axp A 40  ? 6.947   3.308   43.141  1 31.362 ? 79  A 1 c
ATOM 622  H HG3  . LYS Axp A 40  ? 8.491   4.124   45.374  1 35.694 ? 79  A 1 c
ATOM 623  H HG2  . LYS Axp A 40  ? 8.018   2.658   45.056  1 35.694 ? 79  A 1 c
ATOM 624  H HD3  . LYS Axp A 40  ? 6.221   2.859   46.218  1 41.35  ? 79  A 1 c
ATOM 625  H HD2  . LYS Axp A 40  ? 5.864   4.254   45.596  1 41.21  ? 79  A 1 c
ATOM 626  H HE3  . LYS Axp A 40  ? 6.108   4.235   47.985  1 47.116 ? 79  A 1 c
ATOM 627  H HE2  . LYS Axp A 40  ? 6.864   5.396   47.252  1 47.117 ? 79  A 1 c
ATOM 628  H HZ1  . LYS Axp A 40  ? 8.468   3.333   47.718  1 49.744 ? 79  A 1 c
ATOM 629  H HZ2  . LYS Axp A 40  ? 7.915   3.888   48.975  1 49.833 ? 79  A 1 c
ATOM 630  H HZ3  . LYS Axp A 40  ? 8.687   4.766   48.061  1 49.833 ? 79  A 1 c
ATOM 631  N N    . GLU Axp A 41  ? 7.005   5.709   40.956  1 24.515 ? 80  A 1 .
ATOM 632  C CA   . GLU Axp A 41  ? 7.764   5.893   39.741  1 25.527 ? 80  A 1 .
ATOM 633  C C    . GLU Axp A 41  ? 7.303   7.111   38.967  1 22.323 ? 80  A 1 .
ATOM 634  O O    . GLU Axp A 41  ? 8.031   7.608   38.133  1 24.324 ? 80  A 1 .
ATOM 635  C CB   . GLU Axp A 41  ? 7.589   4.671   38.838  1 30.307 ? 80  A 1 .
ATOM 636  C CG   . GLU Axp A 41  ? 7.875   3.355   39.562  1 35.018 ? 80  A 1 .
ATOM 637  C CD   . GLU Axp A 41  ? 8.235   2.161   38.681  1 37.926 ? 80  A 1 .
ATOM 638  O OE1  . GLU Axp A 41  ? 7.764   1.9     37.533  1 35.714 ? 80  A 1 .
ATOM 639  O OE2  . GLU Axp A 41  ? 9.04    1.43    39.276  1 43.297 ? 80  A 1 .
ATOM 640  H H    . GLU Axp A 41  ? 6.187   5.306   40.902  1 24.98  ? 80  A 1 c
ATOM 641  H HA   . GLU Axp A 41  ? 8.721   5.997   39.972  1 25.453 ? 80  A 1 c
ATOM 642  H HB3  . GLU Axp A 41  ? 8.192   4.755   38.07   1 30.106 ? 80  A 1 c
ATOM 643  H HB2  . GLU Axp A 41  ? 6.67    4.657   38.497  1 30.067 ? 80  A 1 c
ATOM 644  H HG3  . GLU Axp A 41  ? 7.094   3.114   40.09   1 34.244 ? 80  A 1 c
ATOM 645  H HG2  . GLU Axp A 41  ? 8.612   3.502   40.194  1 34.454 ? 80  A 1 c
ATOM 646  N N    . PHE Axp A 42  ? 6.066   7.534   39.163  1 20.006 ? 81  A 1 .
ATOM 647  C CA   . PHE Axp A 42  ? 5.562   8.647   38.39   1 18.408 ? 81  A 1 .
ATOM 648  C C    . PHE Axp A 42  ? 6.33    9.902   38.792  1 16.961 ? 81  A 1 .
ATOM 649  O O    . PHE Axp A 42  ? 6.664   10.707  37.942  1 16.999 ? 81  A 1 .
ATOM 650  C CB   . PHE Axp A 42  ? 4.041   8.749   38.532  1 19.389 ? 81  A 1 .
ATOM 651  C CG   . PHE Axp A 42  ? 3.242   8.022   37.456  1 20.621 ? 81  A 1 .
ATOM 652  C CD1  . PHE Axp A 42  ? 3.732   6.868   36.836  1 20.965 ? 81  A 1 .
ATOM 653  C CD2  . PHE Axp A 42  ? 2.002   8.515   37.046  1 21.115 ? 81  A 1 .
ATOM 654  C CE1  . PHE Axp A 42  ? 2.997   6.223   35.846  1 21.238 ? 81  A 1 .
ATOM 655  C CE2  . PHE Axp A 42  ? 1.28    7.866   36.05   1 21.518 ? 81  A 1 .
ATOM 656  C CZ   . PHE Axp A 42  ? 1.779   6.728   35.451  1 21.089 ? 81  A 1 .
ATOM 657  H H    . PHE Axp A 42  ? 5.523   7.125   39.772  1 20.218 ? 81  A 1 c
ATOM 658  H HA   . PHE Axp A 42  ? 5.764   8.467   37.433  1 18.675 ? 81  A 1 c
ATOM 659  H HB3  . PHE Axp A 42  ? 3.793   9.701   38.516  1 19.421 ? 81  A 1 c
ATOM 660  H HB2  . PHE Axp A 42  ? 3.783   8.395   39.411  1 19.448 ? 81  A 1 c
ATOM 661  H HD1  . PHE Axp A 42  ? 4.569   6.518   37.097  1 20.904 ? 81  A 1 c
ATOM 662  H HD2  . PHE Axp A 42  ? 1.656   9.298   37.443  1 21.083 ? 81  A 1 c
ATOM 663  H HE1  . PHE Axp A 42  ? 3.339   5.444   35.439  1 21.123 ? 81  A 1 c
ATOM 664  H HE2  . PHE Axp A 42  ? 0.442   8.208   35.783  1 21.31  ? 81  A 1 c
ATOM 665  H HZ   . PHE Axp A 42  ? 1.28    6.289   34.783  1 21.054 ? 81  A 1 c
ATOM 666  N N    . PRO Axp A 43  ? 6.66    10.142  40.074  1 15.904 ? 82  A 1 .
ATOM 667  C CA   . PRO Axp A 43  ? 7.492   11.278  40.42   1 15.617 ? 82  A 1 .
ATOM 668  C C    . PRO Axp A 43  ? 8.843   11.265  39.717  1 16.086 ? 82  A 1 .
ATOM 669  O O    . PRO Axp A 43  ? 9.336   12.32   39.315  1 16.917 ? 82  A 1 .
ATOM 670  C CB   . PRO Axp A 43  ? 7.595   11.164  41.928  1 15.851 ? 82  A 1 .
ATOM 671  C CG   . PRO Axp A 43  ? 6.311   10.44   42.3    1 15.948 ? 82  A 1 .
ATOM 672  C CD   . PRO Axp A 43  ? 6.209   9.395   41.255  1 16.485 ? 82  A 1 .
ATOM 673  H HA   . PRO Axp A 43  ? 7.018   12.105  40.192  1 15.806 ? 82  A 1 c
ATOM 674  H HB3  . PRO Axp A 43  ? 7.636   12.047  42.345  1 15.82  ? 82  A 1 c
ATOM 675  H HB2  . PRO Axp A 43  ? 8.381   10.645  42.189  1 15.821 ? 82  A 1 c
ATOM 676  H HG3  . PRO Axp A 43  ? 5.541   11.042  42.27   1 16.049 ? 82  A 1 c
ATOM 677  H HG2  . PRO Axp A 43  ? 6.374   10.04   43.191  1 16.049 ? 82  A 1 c
ATOM 678  H HD3  . PRO Axp A 43  ? 6.796   8.643   41.438  1 16.351 ? 82  A 1 c
ATOM 679  H HD2  . PRO Axp A 43  ? 5.291   9.081   41.146  1 16.276 ? 82  A 1 c
ATOM 680  N N    . TYR Axp A 44  ? 9.407   10.06   39.542  1 16.456 ? 83  A 1 .
ATOM 681  C CA   . TYR Axp A 44  ? 10.684  9.872   38.85   1 16.612 ? 83  A 1 .
ATOM 682  C C    . TYR Axp A 44  ? 10.591  10.218  37.362  1 15.883 ? 83  A 1 .
ATOM 683  O O    . TYR Axp A 44  ? 11.486  10.871  36.828  1 16.326 ? 83  A 1 .
ATOM 684  C CB   . TYR Axp A 44  ? 11.211  8.438   38.929  1 16.728 ? 83  A 1 .
ATOM 685  C CG   . TYR Axp A 44  ? 11.43   7.946   40.347  1 17.557 ? 83  A 1 .
ATOM 686  C CD1  . TYR Axp A 44  ? 11.727  8.824   41.381  1 17.766 ? 83  A 1 .
ATOM 687  C CD2  . TYR Axp A 44  ? 11.328  6.593   40.648  1 19.429 ? 83  A 1 .
ATOM 688  C CE1  . TYR Axp A 44  ? 11.907  8.375   42.679  1 18.549 ? 83  A 1 .
ATOM 689  C CE2  . TYR Axp A 44  ? 11.523  6.126   41.943  1 20.179 ? 83  A 1 .
ATOM 690  C CZ   . TYR Axp A 44  ? 11.809  7.022   42.962  1 19.297 ? 83  A 1 .
ATOM 691  O OH   . TYR Axp A 44  ? 11.99   6.55    44.228  1 18.695 ? 83  A 1 .
ATOM 692  H H    . TYR Axp A 44  ? 8.983   9.322   39.874  1 16.429 ? 83  A 1 c
ATOM 693  H HA   . TYR Axp A 44  ? 11.354  10.476  39.265  1 16.484 ? 83  A 1 c
ATOM 694  H HB3  . TYR Axp A 44  ? 12.062  8.389   38.439  1 16.879 ? 83  A 1 c
ATOM 695  H HB2  . TYR Axp A 44  ? 10.569  7.844   38.482  1 16.871 ? 83  A 1 c
ATOM 696  H HD1  . TYR Axp A 44  ? 11.793  9.748   41.204  1 17.899 ? 83  A 1 c
ATOM 697  H HD2  . TYR Axp A 44  ? 11.13   5.977   39.96   1 19.122 ? 83  A 1 c
ATOM 698  H HE1  . TYR Axp A 44  ? 12.109  8.986   43.367  1 18.535 ? 83  A 1 c
ATOM 699  H HE2  . TYR Axp A 44  ? 11.449  5.206   42.131  1 19.749 ? 83  A 1 c
ATOM 700  H HH   . TYR Axp A 44  ? 12.258  7.333   44.669  0 14.67  ? 83  A 1 c
ATOM 701  N N    . MET Axp A 45  ? 9.522   9.744   36.717  1 14.912 ? 84  A 1 .
ATOM 702  C CA   . MET Axp A 45  ? 9.235   10.004  35.32   1 15.026 ? 84  A 1 .
ATOM 703  C C    . MET Axp A 45  ? 8.999   11.487  35.053  1 14.299 ? 84  A 1 .
ATOM 704  O O    . MET Axp A 45  ? 9.505   12.012  34.066  1 14.577 ? 84  A 1 .
ATOM 705  C CB   . MET Axp A 45  ? 7.999   9.219   34.881  1 16.329 ? 84  A 1 .
ATOM 706  C CG   . MET Axp A 45  ? 8.278   7.744   34.659  1 17.697 ? 84  A 1 .
ATOM 707  S SD   . MET Axp A 45  ? 6.778   6.749   34.562  1 19.875 ? 84  A 1 .
ATOM 708  C CE   . MET Axp A 45  ? 6.18    7.073   32.899  1 21.089 ? 84  A 1 .
ATOM 709  H H    . MET Axp A 45  ? 8.938   9.218   37.183  1 15.198 ? 84  A 1 c
ATOM 710  H HA   . MET Axp A 45  ? 10.016  9.711   34.785  1 15.091 ? 84  A 1 c
ATOM 711  H HB3  . MET Axp A 45  ? 7.657   9.608   34.048  1 16.307 ? 84  A 1 c
ATOM 712  H HB2  . MET Axp A 45  ? 7.303   9.315   35.566  1 16.311 ? 84  A 1 c
ATOM 713  H HG3  . MET Axp A 45  ? 8.831   7.407   35.393  1 17.747 ? 84  A 1 c
ATOM 714  H HG2  . MET Axp A 45  ? 8.783   7.633   33.829  1 17.747 ? 84  A 1 c
ATOM 715  H HE3  . MET Axp A 45  ? 6.937   7.252   32.311  1 20.779 ? 84  A 1 c
ATOM 716  H HE2  . MET Axp A 45  ? 5.588   7.848   32.912  1 20.779 ? 84  A 1 c
ATOM 717  H HE1  . MET Axp A 45  ? 5.69    6.296   32.573  1 20.779 ? 84  A 1 c
ATOM 718  N N    . ALA Axp A 46  ? 8.238   12.156  35.923  1 13.89  ? 85  A 1 .
ATOM 719  C CA   . ALA Axp A 46  ? 7.987   13.578  35.761  1 13.974 ? 85  A 1 .
ATOM 720  C C    . ALA Axp A 46  ? 9.304   14.329  35.884  1 14.441 ? 85  A 1 .
ATOM 721  O O    . ALA Axp A 46  ? 9.528   15.349  35.23   1 14.266 ? 85  A 1 .
ATOM 722  C CB   . ALA Axp A 46  ? 6.985   14.062  36.78   1 13.849 ? 85  A 1 .
ATOM 723  H H    . ALA Axp A 46  ? 7.864   11.717  36.631  1 14.016 ? 85  A 1 c
ATOM 724  H HA   . ALA Axp A 46  ? 7.625   13.727  34.846  1 14.005 ? 85  A 1 c
ATOM 725  H HB3  . ALA Axp A 46  ? 6.924   15.032  36.744  1 13.889 ? 85  A 1 c
ATOM 726  H HB2  . ALA Axp A 46  ? 7.267   13.792  37.67   1 13.887 ? 85  A 1 c
ATOM 727  H HB1  . ALA Axp A 46  ? 6.113   13.679  36.589  1 13.887 ? 85  A 1 c
ATOM 728  N N    . ASN Axp A 47  ? 10.19   13.779  36.706  1 15.005 ? 86  A 1 .
ATOM 729  C CA   . ASN Axp A 47  ? 11.451  14.433  36.997  1 16.173 ? 86  A 1 .
ATOM 730  C C    . ASN Axp A 47  ? 12.419  14.308  35.811  1 15.399 ? 86  A 1 .
ATOM 731  O O    . ASN Axp A 47  ? 13.001  15.297  35.358  1 15.12  ? 86  A 1 .
ATOM 732  C CB   . ASN Axp A 47  ? 11.985  13.89   38.314  1 18.037 ? 86  A 1 .
ATOM 733  C CG   . ASN Axp A 47  ? 13.067  14.784  38.851  1 21.498 ? 86  A 1 .
ATOM 734  O OD1  . ASN Axp A 47  ? 12.921  16.016  38.842  1 23.722 ? 86  A 1 .
ATOM 735  N ND2  . ASN Axp A 47  ? 14.164  14.188  39.287  1 23.747 ? 86  A 1 .
ATOM 736  H H    . ASN Axp A 47  ? 10.001  12.985  37.117  1 15.143 ? 86  A 1 c
ATOM 737  H HA   . ASN Axp A 47  ? 11.265  15.39   37.132  1 16.165 ? 86  A 1 c
ATOM 738  H HB3  . ASN Axp A 47  ? 12.342  12.991  38.177  1 18.36  ? 86  A 1 c
ATOM 739  H HB2  . ASN Axp A 47  ? 11.257  13.838  38.964  1 18.282 ? 86  A 1 c
ATOM 740  H HD21 . ASN Axp A 47  ? 14.958  14.547  39.12   1 23.013 ? 86  A 1 c
ATOM 741  H HD22 . ASN Axp A 47  ? 14.104  13.431  39.745  1 22.952 ? 86  A 1 c
ATOM 742  N N    . GLN Axp A 48  ? 12.597  13.076  35.317  1 14.411 ? 87  A 1 .
ATOM 743  C CA   . GLN Axp A 48  ? 13.39   12.808  34.131  1 13.73  ? 87  A 1 .
ATOM 744  C C    . GLN Axp A 48  ? 12.804  13.481  32.887  1 13.865 ? 87  A 1 .
ATOM 745  O O    . GLN Axp A 48  ? 13.557  13.907  32.026  1 13.978 ? 87  A 1 .
ATOM 746  C CB   . GLN Axp A 48  ? 13.521  11.297  33.947  1 13.196 ? 87  A 1 .
ATOM 747  C CG   . GLN Axp A 48  ? 14.308  10.62   35.063  1 12.699 ? 87  A 1 .
ATOM 748  C CD   . GLN Axp A 48  ? 15.706  11.176  35.233  1 12.212 ? 87  A 1 .
ATOM 749  O OE1  . GLN Axp A 48  ? 16.504  11.226  34.297  1 11.35  ? 87  A 1 .
ATOM 750  N NE2  . GLN Axp A 48  ? 16.034  11.59   36.445  1 12.394 ? 87  A 1 .
ATOM 751  H H    . GLN Axp A 48  ? 12.199  12.372  35.743  1 14.451 ? 87  A 1 c
ATOM 752  H HA   . GLN Axp A 48  ? 14.294  13.182  34.28   1 13.782 ? 87  A 1 c
ATOM 753  H HB3  . GLN Axp A 48  ? 13.965  11.12   33.091  1 13.205 ? 87  A 1 c
ATOM 754  H HB2  . GLN Axp A 48  ? 12.624  10.905  33.905  1 13.208 ? 87  A 1 c
ATOM 755  H HG3  . GLN Axp A 48  ? 14.375  9.662   34.875  1 12.707 ? 87  A 1 c
ATOM 756  H HG2  . GLN Axp A 48  ? 13.824  10.723  35.909  1 12.732 ? 87  A 1 c
ATOM 757  H HE21 . GLN Axp A 48  ? 16.788  11.309  36.819  1 12.338 ? 87  A 1 c
ATOM 758  H HE22 . GLN Axp A 48  ? 15.501  12.148  36.881  1 12.338 ? 87  A 1 c
ATOM 759  N N    . TYR Axp A 49  ? 11.476  13.563  32.766  1 14.373 ? 88  A 1 .
ATOM 760  C CA   . TYR Axp A 49  ? 10.826  14.212  31.629  1 14.632 ? 88  A 1 .
ATOM 761  C C    . TYR Axp A 49  ? 11.223  15.687  31.486  1 15.491 ? 88  A 1 .
ATOM 762  O O    . TYR Axp A 49  ? 11.244  16.221  30.38   1 14.365 ? 88  A 1 .
ATOM 763  C CB   . TYR Axp A 49  ? 9.308   14.185  31.813  1 14.378 ? 88  A 1 .
ATOM 764  C CG   . TYR Axp A 49  ? 8.452   14.488  30.586  1 13.931 ? 88  A 1 .
ATOM 765  C CD1  . TYR Axp A 49  ? 8.637   13.818  29.387  1 13.615 ? 88  A 1 .
ATOM 766  C CD2  . TYR Axp A 49  ? 7.43    15.431  30.644  1 13.682 ? 88  A 1 .
ATOM 767  C CE1  . TYR Axp A 49  ? 7.822   14.061  28.296  1 13.598 ? 88  A 1 .
ATOM 768  C CE2  . TYR Axp A 49  ? 6.619   15.695  29.556  1 13.464 ? 88  A 1 .
ATOM 769  C CZ   . TYR Axp A 49  ? 6.809   15      28.38   1 13.776 ? 88  A 1 .
ATOM 770  O OH   . TYR Axp A 49  ? 5.988   15.271  27.317  1 14.325 ? 88  A 1 .
ATOM 771  H H    . TYR Axp A 49  ? 10.95   13.196  33.418  1 14.305 ? 88  A 1 c
ATOM 772  H HA   . TYR Axp A 49  ? 11.066  13.725  30.797  1 14.675 ? 88  A 1 c
ATOM 773  H HB3  . TYR Axp A 49  ? 9.076   14.827  32.52   1 14.331 ? 88  A 1 c
ATOM 774  H HB2  . TYR Axp A 49  ? 9.06    13.296  32.143  1 14.333 ? 88  A 1 c
ATOM 775  H HD1  . TYR Axp A 49  ? 9.309   13.158  29.323  1 13.696 ? 88  A 1 c
ATOM 776  H HD2  . TYR Axp A 49  ? 7.28    15.897  31.451  1 13.697 ? 88  A 1 c
ATOM 777  H HE1  . TYR Axp A 49  ? 7.96    13.591  27.492  1 13.65  ? 88  A 1 c
ATOM 778  H HE2  . TYR Axp A 49  ? 5.929   16.333  29.622  1 13.604 ? 88  A 1 c
ATOM 779  H HH   . TYR Axp A 49  ? 6.313   14.714  26.626  0 7.85   ? 88  A 1 c
ATOM 780  N N    . LYS Axp A 50  ? 11.463  16.371  32.613  1 17.601 ? 89  A 1 .
ATOM 781  C CA   . LYS Axp A 50  ? 11.984  17.733  32.589  1 19.039 ? 89  A 1 .
ATOM 782  C C    . LYS Axp A 50  ? 13.27   17.75   31.766  1 19.08  ? 89  A 1 .
ATOM 783  O O    . LYS Axp A 50  ? 13.417  18.577  30.887  1 19.234 ? 89  A 1 .
ATOM 784  C CB   . LYS Axp A 50  ? 12.239  18.314  33.99   1 20.318 ? 89  A 1 .
ATOM 785  C CG   . LYS Axp A 50  ? 11.015  18.671  34.825  1 20.904 ? 89  A 1 .
ATOM 786  C CD   . LYS Axp A 50  ? 11.338  18.838  36.302  1 22.499 ? 89  A 1 .
ATOM 787  C CE   . LYS Axp A 50  ? 10.119  19.228  37.084  1 24.347 ? 89  A 1 .
ATOM 788  N NZ   . LYS Axp A 50  ? 10.188  18.784  38.481  1 24.598 ? 89  A 1 .
ATOM 789  H H    . LYS Axp A 50  ? 11.292  15.98   33.422  1 17.352 ? 89  A 1 c
ATOM 790  H HA   . LYS Axp A 50  ? 11.316  18.308  32.134  1 18.981 ? 89  A 1 c
ATOM 791  H HB3  . LYS Axp A 50  ? 12.783  19.125  33.89   1 20.142 ? 89  A 1 c
ATOM 792  H HB2  . LYS Axp A 50  ? 12.774  17.667  34.497  1 20.13  ? 89  A 1 c
ATOM 793  H HG3  . LYS Axp A 50  ? 10.344  17.962  34.72   1 21.137 ? 89  A 1 c
ATOM 794  H HG2  . LYS Axp A 50  ? 10.632  19.507  34.482  1 21.123 ? 89  A 1 c
ATOM 795  H HD3  . LYS Axp A 50  ? 12.026  19.531  36.408  1 22.537 ? 89  A 1 c
ATOM 796  H HD2  . LYS Axp A 50  ? 11.692  17.993  36.656  1 22.547 ? 89  A 1 c
ATOM 797  H HE3  . LYS Axp A 50  ? 9.328   18.839  36.67   1 23.932 ? 89  A 1 c
ATOM 798  H HE2  . LYS Axp A 50  ? 10.022  20.197  37.066  1 23.963 ? 89  A 1 c
ATOM 799  H HZ1  . LYS Axp A 50  ? 10.955  19.082  38.86   1 24.509 ? 89  A 1 c
ATOM 800  H HZ2  . LYS Axp A 50  ? 10.171  17.879  38.516  1 24.518 ? 89  A 1 c
ATOM 801  H HZ3  . LYS Axp A 50  ? 9.481   19.114  38.942  1 24.518 ? 89  A 1 c
ATOM 802  N N    . HIS Axp A 51  ? 14.164  16.789  32.015  1 19.919 ? 90  A 1 .
ATOM 803  C CA   . HIS Axp A 51  ? 15.387  16.639  31.244  1 21.156 ? 90  A 1 .
ATOM 804  C C    . HIS Axp A 51  ? 15.123  16.186  29.807  1 17.262 ? 90  A 1 .
ATOM 805  O O    . HIS Axp A 51  ? 15.469  16.882  28.879  1 17.351 ? 90  A 1 .
ATOM 806  C CB   . HIS Axp A 51  ? 16.342  15.673  31.949  1 26.444 ? 90  A 1 .
ATOM 807  C CG   . HIS Axp A 51  ? 17.75   15.77   31.464  1 34.373 ? 90  A 1 .
ATOM 808  N ND1  . HIS Axp A 51  ? 18.352  14.858  30.615  1 36.979 ? 90  A 1 .
ATOM 809  C CD2  . HIS Axp A 51  ? 18.682  16.713  31.747  1 37.871 ? 90  A 1 .
ATOM 810  C CE1  . HIS Axp A 51  ? 19.614  15.225  30.42   1 39.749 ? 90  A 1 .
ATOM 811  N NE2  . HIS Axp A 51  ? 19.832  16.356  31.081  1 40.597 ? 90  A 1 .
ATOM 812  H H    . HIS Axp A 51  ? 14.006  16.204  32.699  1 20.046 ? 90  A 1 c
ATOM 813  H HA   . HIS Axp A 51  ? 15.823  17.526  31.208  1 21.001 ? 90  A 1 c
ATOM 814  H HB3  . HIS Axp A 51  ? 16.021  14.756  31.814  1 26.49  ? 90  A 1 c
ATOM 815  H HB2  . HIS Axp A 51  ? 16.324  15.86   32.913  1 26.638 ? 90  A 1 c
ATOM 816  H HD1  . HIS Axp A 51  ? 18.065  14.265  30.451  0 26.74  ? 90  A 1 c
ATOM 817  H HD2  . HIS Axp A 51  ? 18.574  17.464  32.297  1 37.568 ? 90  A 1 c
ATOM 818  H HE1  . HIS Axp A 51  ? 20.235  14.778  29.869  1 39.211 ? 90  A 1 c
ATOM 819  H HE2  . HIS Axp A 51  ? 20.496  17.131  31.168  0 30.24  ? 90  A 1 c
ATOM 820  N N    . PHE Axp A 52  ? 14.496  15.033  29.607  1 15.475 ? 91  A 1 .
ATOM 821  C CA   . PHE Axp A 52  ? 14.477  14.373  28.311  1 14.553 ? 91  A 1 .
ATOM 822  C C    . PHE Axp A 52  ? 13.476  14.917  27.296  1 14.098 ? 91  A 1 .
ATOM 823  O O    . PHE Axp A 52  ? 13.556  14.522  26.145  1 14.178 ? 91  A 1 .
ATOM 824  C CB   . PHE Axp A 52  ? 14.124  12.888  28.441  1 14.683 ? 91  A 1 .
ATOM 825  C CG   . PHE Axp A 52  ? 15.302  12.103  28.978  1 14.126 ? 91  A 1 .
ATOM 826  C CD1  . PHE Axp A 52  ? 16.36   11.793  28.153  1 14.39  ? 91  A 1 .
ATOM 827  C CD2  . PHE Axp A 52  ? 15.385  11.775  30.311  1 14.327 ? 91  A 1 .
ATOM 828  C CE1  . PHE Axp A 52  ? 17.462  11.138  28.637  1 14.951 ? 91  A 1 .
ATOM 829  C CE2  . PHE Axp A 52  ? 16.485  11.107  30.796  1 14.994 ? 91  A 1 .
ATOM 830  C CZ   . PHE Axp A 52  ? 17.522  10.797  29.959  1 15.397 ? 91  A 1 .
ATOM 831  H H    . PHE Axp A 52  ? 14.059  14.639  30.306  1 15.702 ? 91  A 1 c
ATOM 832  H HA   . PHE Axp A 52  ? 15.386  14.442  27.918  1 14.723 ? 91  A 1 c
ATOM 833  H HB3  . PHE Axp A 52  ? 13.877  12.535  27.56   1 14.52  ? 91  A 1 c
ATOM 834  H HB2  . PHE Axp A 52  ? 13.36   12.791  29.051  1 14.53  ? 91  A 1 c
ATOM 835  H HD1  . PHE Axp A 52  ? 16.326  12.039  27.242  1 14.469 ? 91  A 1 c
ATOM 836  H HD2  . PHE Axp A 52  ? 14.674  11.994  30.892  1 14.442 ? 91  A 1 c
ATOM 837  H HE1  . PHE Axp A 52  ? 18.171  10.913  28.057  1 14.914 ? 91  A 1 c
ATOM 838  H HE2  . PHE Axp A 52  ? 16.526  10.866  31.707  1 14.895 ? 91  A 1 c
ATOM 839  H HZ   . PHE Axp A 52  ? 18.271  10.327  30.29   1 15.177 ? 91  A 1 c
ATOM 840  N N    . LYS Axp A 53  ? 12.519  15.771  27.664  1 14.549 ? 92  A 1 .
ATOM 841  C CA   . LYS Axp A 53  ? 11.453  16.1    26.721  1 14.81  ? 92  A 1 .
ATOM 842  C C    . LYS Axp A 53  ? 12.02   16.787  25.475  1 14.818 ? 92  A 1 .
ATOM 843  O O    . LYS Axp A 53  ? 11.72   16.411  24.341  1 13.936 ? 92  A 1 .
ATOM 844  C CB   . LYS Axp A 53  ? 10.346  16.936  27.367  1 15.103 ? 92  A 1 .
ATOM 845  C CG   . LYS Axp A 53  ? 9.249   17.433  26.425  1 15.855 ? 92  A 1 .
ATOM 846  C CD   . LYS Axp A 53  ? 8.076   18.041  27.185  1 16.856 ? 92  A 1 .
ATOM 847  C CE   . LYS Axp A 53  ? 7.66    19.422  26.771  1 17.731 ? 92  A 1 .
ATOM 848  N NZ   . LYS Axp A 53  ? 6.696   19.398  25.672  1 18.108 ? 92  A 1 .
ATOM 849  H H    . LYS Axp A 53  ? 12.523  16.151  28.496  1 14.521 ? 92  A 1 c
ATOM 850  H HA   . LYS Axp A 53  ? 11.038  15.25   26.432  1 14.806 ? 92  A 1 c
ATOM 851  H HB3  . LYS Axp A 53  ? 10.757  17.715  27.797  1 15.205 ? 92  A 1 c
ATOM 852  H HB2  . LYS Axp A 53  ? 9.924   16.398  28.07   1 15.21  ? 92  A 1 c
ATOM 853  H HG3  . LYS Axp A 53  ? 8.93    16.679  25.884  1 15.904 ? 92  A 1 c
ATOM 854  H HG2  . LYS Axp A 53  ? 9.629   18.107  25.821  1 15.917 ? 92  A 1 c
ATOM 855  H HD3  . LYS Axp A 53  ? 8.3     18.057  28.141  1 16.794 ? 92  A 1 c
ATOM 856  H HD2  . LYS Axp A 53  ? 7.305   17.444  27.082  1 16.799 ? 92  A 1 c
ATOM 857  H HE3  . LYS Axp A 53  ? 8.442   19.932  26.495  1 17.603 ? 92  A 1 c
ATOM 858  H HE2  . LYS Axp A 53  ? 7.258   19.878  27.532  1 17.613 ? 92  A 1 c
ATOM 859  H HZ1  . LYS Axp A 53  ? 5.918   19.028  25.955  1 17.981 ? 92  A 1 c
ATOM 860  H HZ2  . LYS Axp A 53  ? 7.026   18.908  24.985  1 17.982 ? 92  A 1 c
ATOM 861  H HZ3  . LYS Axp A 53  ? 6.537   20.242  25.386  1 17.987 ? 92  A 1 c
ATOM 862  N N    . SER Axp A 54  ? 12.871  17.789  25.704  1 15.618 ? 93  A 1 .
ATOM 863  C CA   . SER Axp A 54  ? 13.439  18.584  24.628  1 16.205 ? 93  A 1 .
ATOM 864  C C    . SER Axp A 54  ? 14.623  17.876  23.964  1 16.651 ? 93  A 1 .
ATOM 865  O O    . SER Axp A 54  ? 15.182  18.396  23      1 17.01  ? 93  A 1 .
ATOM 866  C CB   . SER Axp A 54  ? 13.848  19.916  25.16   1 16.331 ? 93  A 1 .
ATOM 867  O OG   . SER Axp A 54  ? 14.685  19.695  26.281  1 16.974 ? 93  A 1 .
ATOM 868  H H    . SER Axp A 54  ? 13.104  17.987  26.565  1 15.546 ? 93  A 1 c
ATOM 869  H HA   . SER Axp A 54  ? 12.738  18.725  23.942  1 16.172 ? 93  A 1 c
ATOM 870  H HB3  . SER Axp A 54  ? 13.058  20.423  25.428  1 16.454 ? 93  A 1 c
ATOM 871  H HB2  . SER Axp A 54  ? 14.332  20.415  24.475  1 16.459 ? 93  A 1 c
ATOM 872  H HG   . SER Axp A 54  ? 15.085  20.284  26.774  0 13.57  ? 93  A 1 c
ATOM 873  N N    . GLN Axp A 55  ? 15.003  16.701  24.474  1 16.154 ? 94  A 1 .
ATOM 874  C CA   . GLN Axp A 55  ? 15.976  15.862  23.811  1 16.032 ? 94  A 1 .
ATOM 875  C C    . GLN Axp A 55  ? 15.263  14.917  22.86   1 14.542 ? 94  A 1 .
ATOM 876  O O    . GLN Axp A 55  ? 15.914  14.091  22.24   1 14.767 ? 94  A 1 .
ATOM 877  C CB   . GLN Axp A 55  ? 16.624  15.016  24.888  1 18.32  ? 94  A 1 .
ATOM 878  C CG   . GLN Axp A 55  ? 17.232  15.86   25.996  1 20.225 ? 94  A 1 .
ATOM 879  C CD   . GLN Axp A 55  ? 18.728  15.818  25.931  1 21.863 ? 94  A 1 .
ATOM 880  O OE1  . GLN Axp A 55  ? 19.346  14.842  26.374  1 22.25  ? 94  A 1 .
ATOM 881  N NE2  . GLN Axp A 55  ? 19.303  16.851  25.335  1 22.886 ? 94  A 1 .
ATOM 882  H H    . GLN Axp A 55  ? 14.652  16.421  25.269  1 16.269 ? 94  A 1 c
ATOM 883  H HA   . GLN Axp A 55  ? 16.636  16.419  23.326  1 16.164 ? 94  A 1 c
ATOM 884  H HB3  . GLN Axp A 55  ? 17.324  14.463  24.482  1 18.163 ? 94  A 1 c
ATOM 885  H HB2  . GLN Axp A 55  ? 15.953  14.415  25.273  1 18.114 ? 94  A 1 c
ATOM 886  H HG3  . GLN Axp A 55  ? 16.938  15.523  26.867  1 20.075 ? 94  A 1 c
ATOM 887  H HG2  . GLN Axp A 55  ? 16.931  16.79   25.912  1 20.063 ? 94  A 1 c
ATOM 888  H HE21 . GLN Axp A 55  ? 20.016  17.232  25.7    1 22.562 ? 94  A 1 c
ATOM 889  H HE22 . GLN Axp A 55  ? 18.974  17.161  24.571  1 22.55  ? 94  A 1 c
ATOM 890  N N    . GLY Axp A 56  ? 13.931  15.004  22.818  1 13.637 ? 95  A 1 .
ATOM 891  C CA   . GLY Axp A 56  ? 13.15   14.297  21.82   1 13.845 ? 95  A 1 .
ATOM 892  C C    . GLY Axp A 56  ? 12.713  12.915  22.298  1 14.264 ? 95  A 1 .
ATOM 893  O O    . GLY Axp A 56  ? 12.584  12.002  21.491  1 13.979 ? 95  A 1 .
ATOM 894  H H    . GLY Axp A 56  ? 13.49   15.509  23.437  1 13.968 ? 95  A 1 c
ATOM 895  H HA3  . GLY Axp A 56  ? 13.685  14.204  21.001  1 13.871 ? 95  A 1 c
ATOM 896  H HA2  . GLY Axp A 56  ? 12.352  14.833  21.6    1 13.884 ? 95  A 1 c
ATOM 897  N N    . VAL Axp A 57  ? 12.501  12.773  23.612  1 14.719 ? 96  A 1 .
ATOM 898  C CA   . VAL Axp A 57  ? 11.881  11.594  24.185  1 14.484 ? 96  A 1 .
ATOM 899  C C    . VAL Axp A 57  ? 10.518  12.042  24.659  1 14.791 ? 96  A 1 .
ATOM 900  O O    . VAL Axp A 57  ? 10.404  13.109  25.228  1 14.665 ? 96  A 1 .
ATOM 901  C CB   . VAL Axp A 57  ? 12.637  10.952  25.362  1 14.329 ? 96  A 1 .
ATOM 902  C CG1  . VAL Axp A 57  ? 11.839  9.824   25.995  1 14.771 ? 96  A 1 .
ATOM 903  C CG2  . VAL Axp A 57  ? 13.993  10.432  24.943  1 14.364 ? 96  A 1 .
ATOM 904  H H    . VAL Axp A 57  ? 12.755  13.445  24.177  1 14.54  ? 96  A 1 c
ATOM 905  H HA   . VAL Axp A 57  ? 11.768  10.926  23.484  1 14.553 ? 96  A 1 c
ATOM 906  H HB   . VAL Axp A 57  ? 12.769  11.652  26.04   1 14.446 ? 96  A 1 c
ATOM 907  H HG11 . VAL Axp A 57  ? 11.359  9.336   25.304  1 14.645 ? 96  A 1 c
ATOM 908  H HG12 . VAL Axp A 57  ? 11.203  10.191  26.632  1 14.641 ? 96  A 1 c
ATOM 909  H HG13 . VAL Axp A 57  ? 12.442  9.217   26.457  1 14.638 ? 96  A 1 c
ATOM 910  H HG21 . VAL Axp A 57  ? 14.499  10.172  25.732  1 14.371 ? 96  A 1 c
ATOM 911  H HG22 . VAL Axp A 57  ? 14.474  11.128  24.465  1 14.42  ? 96  A 1 c
ATOM 912  H HG23 . VAL Axp A 57  ? 13.88   9.66    24.363  1 14.37  ? 96  A 1 c
ATOM 913  N N    . GLU Axp A 58  ? 9.506   11.201  24.46   1 15.834 ? 97  A 1 .
ATOM 914  C CA   . GLU Axp A 58  ? 8.158   11.538  24.857  1 16.53  ? 97  A 1 .
ATOM 915  C C    . GLU Axp A 58  ? 7.625   10.394  25.703  1 15.777 ? 97  A 1 .
ATOM 916  O O    . GLU Axp A 58  ? 7.973   9.25    25.448  1 15.4   ? 97  A 1 .
ATOM 917  C CB   . GLU Axp A 58  ? 7.409   11.757  23.549  1 18.498 ? 97  A 1 .
ATOM 918  C CG   . GLU Axp A 58  ? 5.941   12.103  23.746  1 21.033 ? 97  A 1 .
ATOM 919  C CD   . GLU Axp A 58  ? 5.691   13.498  24.26   1 22.143 ? 97  A 1 .
ATOM 920  O OE1  . GLU Axp A 58  ? 6.046   13.74   25.445  1 22.248 ? 97  A 1 .
ATOM 921  O OE2  . GLU Axp A 58  ? 5.133   14.304  23.456  1 22.071 ? 97  A 1 .
ATOM 922  H H    . GLU Axp A 58  ? 9.661   10.393  24.062  1 15.705 ? 97  A 1 c
ATOM 923  H HA   . GLU Axp A 58  ? 8.173   12.37   25.393  1 16.581 ? 97  A 1 c
ATOM 924  H HB3  . GLU Axp A 58  ? 7.475   10.943  23.007  1 18.566 ? 97  A 1 c
ATOM 925  H HB2  . GLU Axp A 58  ? 7.844   12.482  23.054  1 18.566 ? 97  A 1 c
ATOM 926  H HG3  . GLU Axp A 58  ? 5.542   11.465  24.375  1 20.644 ? 97  A 1 c
ATOM 927  H HG2  . GLU Axp A 58  ? 5.473   11.999  22.89   1 20.664 ? 97  A 1 c
ATOM 928  N N    . ILE Axp A 59  ? 6.822   10.724  26.722  1 15.415 ? 98  A 1 .
ATOM 929  C CA   . ILE Axp A 59  ? 6.155   9.73    27.549  1 14.872 ? 98  A 1 .
ATOM 930  C C    . ILE Axp A 59  ? 4.686   9.716   27.176  1 14.439 ? 98  A 1 .
ATOM 931  O O    . ILE Axp A 59  ? 4.103   10.763  26.923  1 14.023 ? 98  A 1 .
ATOM 932  C CB   . ILE Axp A 59  ? 6.26    10.022  29.055  1 15.19  ? 98  A 1 .
ATOM 933  C CG1  . ILE Axp A 59  ? 7.699   10.153  29.53   1 15.003 ? 98  A 1 .
ATOM 934  C CG2  . ILE Axp A 59  ? 5.476   8.98    29.872  1 15.31  ? 98  A 1 .
ATOM 935  C CD1  . ILE Axp A 59  ? 7.804   10.903  30.843  1 14.986 ? 98  A 1 .
ATOM 936  H H    . ILE Axp A 59  ? 6.684   11.608  26.909  1 15.393 ? 98  A 1 c
ATOM 937  H HA   . ILE Axp A 59  ? 6.542   8.852   27.369  1 14.94  ? 98  A 1 c
ATOM 938  H HB   . ILE Axp A 59  ? 5.83    10.887  29.206  1 15.112 ? 98  A 1 c
ATOM 939  H HG12 . ILE Axp A 59  ? 8.22    10.626  28.85   1 15.044 ? 98  A 1 c
ATOM 940  H HG13 . ILE Axp A 59  ? 8.082   9.259   29.64   1 15.042 ? 98  A 1 c
ATOM 941  H HG21 . ILE Axp A 59  ? 5.828   8.942   30.776  1 15.289 ? 98  A 1 c
ATOM 942  H HG22 . ILE Axp A 59  ? 5.564   8.106   29.456  1 15.263 ? 98  A 1 c
ATOM 943  H HG23 . ILE Axp A 59  ? 4.537   9.229   29.904  1 15.271 ? 98  A 1 c
ATOM 944  H HD11 . ILE Axp A 59  ? 7.251   11.706  30.81   1 14.986 ? 98  A 1 c
ATOM 945  H HD12 . ILE Axp A 59  ? 8.734   11.158  30.997  1 14.99  ? 98  A 1 c
ATOM 946  H HD13 . ILE Axp A 59  ? 7.501   10.331  31.573  1 14.992 ? 98  A 1 c
ATOM 947  N N    . VAL Axp A 60  ? 4.126   8.505   27.19   1 14.612 ? 99  A 1 .
ATOM 948  C CA   . VAL Axp A 60  ? 2.708   8.259   26.998  1 14.105 ? 99  A 1 .
ATOM 949  C C    . VAL Axp A 60  ? 2.339   7.202   28.027  1 13.772 ? 99  A 1 .
ATOM 950  O O    . VAL Axp A 60  ? 2.67    6.031   27.824  1 13.532 ? 99  A 1 .
ATOM 951  C CB   . VAL Axp A 60  ? 2.352   7.781   25.577  1 13.951 ? 99  A 1 .
ATOM 952  C CG1  . VAL Axp A 60  ? 0.85    7.585   25.414  1 13.844 ? 99  A 1 .
ATOM 953  C CG2  . VAL Axp A 60  ? 2.9     8.725   24.505  1 14.12  ? 99  A 1 .
ATOM 954  H H    . VAL Axp A 60  ? 4.669   7.782   27.321  1 14.463 ? 99  A 1 c
ATOM 955  H HA   . VAL Axp A 60  ? 2.213   9.079   27.191  1 14.089 ? 99  A 1 c
ATOM 956  H HB   . VAL Axp A 60  ? 2.784   6.905   25.448  1 13.987 ? 99  A 1 c
ATOM 957  H HG11 . VAL Axp A 60  ? 0.377   8.298   25.876  1 13.879 ? 99  A 1 c
ATOM 958  H HG12 . VAL Axp A 60  ? 0.591   6.728   25.793  1 13.876 ? 99  A 1 c
ATOM 959  H HG13 . VAL Axp A 60  ? 0.619   7.603   24.47   1 13.879 ? 99  A 1 c
ATOM 960  H HG21 . VAL Axp A 60  ? 2.598   8.433   23.629  1 14.07  ? 99  A 1 c
ATOM 961  H HG22 . VAL Axp A 60  ? 3.872   8.716   24.53   1 14.074 ? 99  A 1 c
ATOM 962  H HG23 . VAL Axp A 60  ? 2.581   9.628   24.673  1 14.071 ? 99  A 1 c
ATOM 963  N N    . ALA Axp A 61  ? 1.759   7.66    29.152  1 13.211 ? 100 A 1 .
ATOM 964  C CA   . ALA Axp A 61  ? 1.273   6.779   30.196  1 12.53  ? 100 A 1 .
ATOM 965  C C    . ALA Axp A 61  ? -0.179  6.417   29.91   1 11.916 ? 100 A 1 .
ATOM 966  O O    . ALA Axp A 61  ? -1.08   7.236   30.057  1 11.473 ? 100 A 1 .
ATOM 967  C CB   . ALA Axp A 61  ? 1.443   7.423   31.546  1 12.948 ? 100 A 1 .
ATOM 968  H H    . ALA Axp A 61  ? 1.667   8.562   29.267  1 13.195 ? 100 A 1 c
ATOM 969  H HA   . ALA Axp A 61  ? 1.814   5.946   30.172  1 12.648 ? 100 A 1 c
ATOM 970  H HB3  . ALA Axp A 61  ? 1.204   6.791   32.243  1 12.797 ? 100 A 1 c
ATOM 971  H HB2  . ALA Axp A 61  ? 0.87    8.205   31.61   1 12.808 ? 100 A 1 c
ATOM 972  H HB1  . ALA Axp A 61  ? 2.369   7.693   31.663  1 12.818 ? 100 A 1 c
ATOM 973  N N    . VAL Axp A 62  ? -0.367  5.178   29.464  1 11.776 ? 101 A 1 .
ATOM 974  C CA   . VAL Axp A 62  ? -1.664  4.666   29.081  1 11.521 ? 101 A 1 .
ATOM 975  C C    . VAL Axp A 62  ? -2.321  4.08    30.317  1 11.689 ? 101 A 1 .
ATOM 976  O O    . VAL Axp A 62  ? -1.95   3.005   30.78   1 11.734 ? 101 A 1 .
ATOM 977  C CB   . VAL Axp A 62  ? -1.53   3.59    27.995  1 11.594 ? 101 A 1 .
ATOM 978  C CG1  . VAL Axp A 62  ? -2.894  3.134   27.515  1 11.687 ? 101 A 1 .
ATOM 979  C CG2  . VAL Axp A 62  ? -0.666  4.054   26.83   1 11.794 ? 101 A 1 .
ATOM 980  H H    . VAL Axp A 62  ? 0.353   4.62    29.4    1 11.775 ? 101 A 1 c
ATOM 981  H HA   . VAL Axp A 62  ? -2.212  5.4     28.739  1 11.633 ? 101 A 1 c
ATOM 982  H HB   . VAL Axp A 62  ? -1.082  2.815   28.407  1 11.65  ? 101 A 1 c
ATOM 983  H HG11 . VAL Axp A 62  ? -3.478  3.905   27.416  1 11.659 ? 101 A 1 c
ATOM 984  H HG12 . VAL Axp A 62  ? -3.278  2.519   28.162  1 11.66  ? 101 A 1 c
ATOM 985  H HG13 . VAL Axp A 62  ? -2.804  2.685   26.658  1 11.66  ? 101 A 1 c
ATOM 986  H HG21 . VAL Axp A 62  ? -0.765  3.439   26.085  1 11.736 ? 101 A 1 c
ATOM 987  H HG22 . VAL Axp A 62  ? 0.266   4.077   27.106  1 11.737 ? 101 A 1 c
ATOM 988  H HG23 . VAL Axp A 62  ? -0.943  4.943   26.554  1 11.744 ? 101 A 1 c
ATOM 989  N N    . ASN Axp A 63  ? -3.295  4.803   30.852  1 11.901 ? 102 A 1 .
ATOM 990  C CA   . ASN Axp A 63  ? -4.079  4.268   31.945  1 12.483 ? 102 A 1 .
ATOM 991  C C    . ASN Axp A 63  ? -5.045  3.21    31.417  1 14.096 ? 102 A 1 .
ATOM 992  O O    . ASN Axp A 63  ? -5.701  3.396   30.384  1 15.19  ? 102 A 1 .
ATOM 993  C CB   . ASN Axp A 63  ? -4.811  5.362   32.698  1 12.203 ? 102 A 1 .
ATOM 994  C CG   . ASN Axp A 63  ? -5.944  4.812   33.518  1 11.635 ? 102 A 1 .
ATOM 995  O OD1  . ASN Axp A 63  ? -7.012  4.55    32.968  1 11.426 ? 102 A 1 .
ATOM 996  N ND2  . ASN Axp A 63  ? -5.738  4.658   34.812  1 11.483 ? 102 A 1 .
ATOM 997  H H    . ASN Axp A 63  ? -3.475  5.643   30.538  1 11.975 ? 102 A 1 c
ATOM 998  H HA   . ASN Axp A 63  ? -3.463  3.842   32.579  1 12.603 ? 102 A 1 c
ATOM 999  H HB3  . ASN Axp A 63  ? -5.165  6.012   32.059  1 12.127 ? 102 A 1 c
ATOM 1000 H HB2  . ASN Axp A 63  ? -4.186  5.825   33.285  1 12.11  ? 102 A 1 c
ATOM 1001 H HD21 . ASN Axp A 63  ? -6.236  5.097   35.399  1 11.63  ? 102 A 1 c
ATOM 1002 H HD22 . ASN Axp A 63  ? -5.096  4.115   35.094  1 11.553 ? 102 A 1 c
ATOM 1003 N N    . VAL Axp A 64  ? -5.174  2.125   32.199  1 15.005 ? 103 A 1 .
ATOM 1004 C CA   . VAL Axp A 64  ? -5.89   0.915   31.81   1 15.034 ? 103 A 1 .
ATOM 1005 C C    . VAL Axp A 64  ? -7.407  1.001   32.065  1 15.727 ? 103 A 1 .
ATOM 1006 O O    . VAL Axp A 64  ? -7.965  0.209   32.821  1 16.555 ? 103 A 1 .
ATOM 1007 C CB   . VAL Axp A 64  ? -5.184  -0.169  32.639  1 15.216 ? 103 A 1 .
ATOM 1008 C CG1  . VAL Axp A 64  ? -5.927  -1.497  32.659  1 16.906 ? 103 A 1 .
ATOM 1009 C CG2  . VAL Axp A 64  ? -3.759  -0.368  32.16   1 14.974 ? 103 A 1 .
ATOM 1010 H H    . VAL Axp A 64  ? -4.799  2.152   33.032  1 14.745 ? 103 A 1 c
ATOM 1011 H HA   . VAL Axp A 64  ? -5.733  0.744   30.86   1 15.179 ? 103 A 1 c
ATOM 1012 H HB   . VAL Axp A 64  ? -5.144  0.155   33.57   1 15.431 ? 103 A 1 c
ATOM 1013 H HG11 . VAL Axp A 64  ? -6.454  -1.59   31.847  1 16.375 ? 103 A 1 c
ATOM 1014 H HG12 . VAL Axp A 64  ? -6.512  -1.533  33.433  1 16.383 ? 103 A 1 c
ATOM 1015 H HG13 . VAL Axp A 64  ? -5.285  -2.226  32.709  1 16.369 ? 103 A 1 c
ATOM 1016 H HG21 . VAL Axp A 64  ? -3.279  -0.923  32.796  1 15.192 ? 103 A 1 c
ATOM 1017 H HG22 . VAL Axp A 64  ? -3.315  0.492   32.083  1 15.08  ? 103 A 1 c
ATOM 1018 H HG23 . VAL Axp A 64  ? -3.767  -0.805  31.293  1 15.196 ? 103 A 1 c
ATOM 1019 N N    . GLY Axp A 65  ? -8.087  1.975   31.444  1 16.179 ? 104 A 1 .
ATOM 1020 C CA   . GLY Axp A 65  ? -9.541  2.01    31.378  1 16.703 ? 104 A 1 .
ATOM 1021 C C    . GLY Axp A 65  ? -10.239 2.507   32.651  1 17.15  ? 104 A 1 .
ATOM 1022 O O    . GLY Axp A 65  ? -11.399 2.174   32.872  1 18.838 ? 104 A 1 .
ATOM 1023 H H    . GLY Axp A 65  ? -7.62   2.648   31.039  1 16.165 ? 104 A 1 c
ATOM 1024 H HA3  . GLY Axp A 65  ? -9.865  1.101   31.172  1 16.691 ? 104 A 1 c
ATOM 1025 H HA2  . GLY Axp A 65  ? -9.803  2.591   30.628  1 16.795 ? 104 A 1 c
ATOM 1026 N N    . GLU Axp A 66  ? -9.584  3.349   33.455  1 16.955 ? 105 A 1 .
ATOM 1027 C CA   . GLU Axp A 66  ? -10.207 3.921   34.638  1 16.733 ? 105 A 1 .
ATOM 1028 C C    . GLU Axp A 66  ? -10.948 5.2     34.246  1 17.49  ? 105 A 1 .
ATOM 1029 O O    . GLU Axp A 66  ? -10.752 5.711   33.153  1 16.112 ? 105 A 1 .
ATOM 1030 C CB   . GLU Axp A 66  ? -9.145  4.173   35.712  1 16.214 ? 105 A 1 .
ATOM 1031 C CG   . GLU Axp A 66  ? -8.4    2.918   36.166  1 15.512 ? 105 A 1 .
ATOM 1032 C CD   . GLU Axp A 66  ? -7.661  3.137   37.476  1 14.826 ? 105 A 1 .
ATOM 1033 O OE1  . GLU Axp A 66  ? -8.233  3.006   38.578  1 13.874 ? 105 A 1 .
ATOM 1034 O OE2  . GLU Axp A 66  ? -6.489  3.511   37.375  1 14.925 ? 105 A 1 .
ATOM 1035 H H    . GLU Axp A 66  ? -8.721  3.578   33.259  1 16.939 ? 105 A 1 c
ATOM 1036 H HA   . GLU Axp A 66  ? -10.861 3.272   34.992  1 16.828 ? 105 A 1 c
ATOM 1037 H HB3  . GLU Axp A 66  ? -9.579  4.58    36.491  1 16.152 ? 105 A 1 c
ATOM 1038 H HB2  . GLU Axp A 66  ? -8.495  4.818   35.364  1 16.127 ? 105 A 1 c
ATOM 1039 H HG3  . GLU Axp A 66  ? -7.753  2.656   35.477  1 15.503 ? 105 A 1 c
ATOM 1040 H HG2  . GLU Axp A 66  ? -9.039  2.183   36.282  1 15.505 ? 105 A 1 c
ATOM 1041 N N    . SER Axp A 67  ? -11.799 5.703   35.15   1 19.928 ? 106 A 1 .
ATOM 1042 C CA   . SER Axp A 67  ? -12.604 6.888   34.904  1 21.415 ? 106 A 1 .
ATOM 1043 C C    . SER Axp A 67  ? -11.72  8.133   34.929  1 25.219 ? 106 A 1 .
ATOM 1044 O O    . SER Axp A 67  ? -10.66  8.133   35.557  1 24.231 ? 106 A 1 .
ATOM 1045 C CB   . SER Axp A 67  ? -13.723 7.005   35.9    1 20.684 ? 106 A 1 .
ATOM 1046 O OG   . SER Axp A 67  ? -13.237 7.449   37.159  1 20.44  ? 106 A 1 .
ATOM 1047 H H    . SER Axp A 67  ? -11.878 5.284   35.959  1 19.62  ? 106 A 1 c
ATOM 1048 H HA   . SER Axp A 67  ? -13     6.809   33.999  1 21.609 ? 106 A 1 c
ATOM 1049 H HB3  . SER Axp A 67  ? -14.154 6.136   36.006  1 20.789 ? 106 A 1 c
ATOM 1050 H HB2  . SER Axp A 67  ? -14.388 7.638   35.567  1 20.789 ? 106 A 1 c
ATOM 1051 H HG   . SER Axp A 67  ? -13.886 7.453   37.576  0 14.04  ? 106 A 1 c
ATOM 1052 N N    . LYS Axp A 68  ? -12.194 9.204   34.261  1 31.293 ? 107 A 1 .
ATOM 1053 C CA   . LYS Axp A 68  ? -11.398 10.406  34.04   1 33.231 ? 107 A 1 .
ATOM 1054 C C    . LYS Axp A 68  ? -11.036 11.039  35.39   1 28.525 ? 107 A 1 .
ATOM 1055 O O    . LYS Axp A 68  ? -9.967  11.614  35.537  1 24.775 ? 107 A 1 .
ATOM 1056 C CB   . LYS Axp A 68  ? -12.049 11.368  33.023  1 37.558 ? 107 A 1 .
ATOM 1057 C CG   . LYS Axp A 68  ? -11.146 12.569  32.65   1 45.402 ? 107 A 1 .
ATOM 1058 C CD   . LYS Axp A 68  ? -11.656 13.623  31.671  1 50.471 ? 107 A 1 .
ATOM 1059 C CE   . LYS Axp A 68  ? -11.566 13.235  30.219  1 53.19  ? 107 A 1 .
ATOM 1060 N NZ   . LYS Axp A 68  ? -12.804 12.633  29.709  1 53.42  ? 107 A 1 .
ATOM 1061 H H    . LYS Axp A 68  ? -13.047 9.179   33.934  1 30.02  ? 107 A 1 c
ATOM 1062 H HA   . LYS Axp A 68  ? -10.547 10.115  33.624  1 32.626 ? 107 A 1 c
ATOM 1063 H HB3  . LYS Axp A 68  ? -12.888 11.71   33.398  1 38.152 ? 107 A 1 c
ATOM 1064 H HB2  . LYS Axp A 68  ? -12.264 10.871  32.205  1 38.221 ? 107 A 1 c
ATOM 1065 H HG3  . LYS Axp A 68  ? -10.307 12.205  32.291  1 44.564 ? 107 A 1 c
ATOM 1066 H HG2  . LYS Axp A 68  ? -10.91  13.029  33.485  1 44.333 ? 107 A 1 c
ATOM 1067 H HD3  . LYS Axp A 68  ? -11.144 14.45   31.808  1 49.879 ? 107 A 1 c
ATOM 1068 H HD2  . LYS Axp A 68  ? -12.594 13.821  31.887  1 49.913 ? 107 A 1 c
ATOM 1069 H HE3  . LYS Axp A 68  ? -10.837 12.6    30.097  1 52.51  ? 107 A 1 c
ATOM 1070 H HE2  . LYS Axp A 68  ? -11.363 14.026  29.689  1 52.592 ? 107 A 1 c
ATOM 1071 H HZ1  . LYS Axp A 68  ? -13.477 13.239  29.743  1 53.297 ? 107 A 1 c
ATOM 1072 H HZ2  . LYS Axp A 68  ? -13.027 11.914  30.213  1 53.221 ? 107 A 1 c
ATOM 1073 H HZ3  . LYS Axp A 68  ? -12.685 12.368  28.851  1 53.315 ? 107 A 1 c
ATOM 1074 N N    . ILE Axp A 69  ? -11.905 10.907  36.393  1 28.348 ? 108 A 1 .
ATOM 1075 C CA   . ILE Axp A 69  ? -11.695 11.584  37.666  1 31.769 ? 108 A 1 .
ATOM 1076 C C    . ILE Axp A 69  ? -10.549 10.905  38.422  1 30.062 ? 108 A 1 .
ATOM 1077 O O    . ILE Axp A 69  ? -9.633  11.568  38.932  1 28.004 ? 108 A 1 .
ATOM 1078 C CB   . ILE Axp A 69  ? -12.993 11.629  38.501  1 34.8   ? 108 A 1 .
ATOM 1079 C CG1  . ILE Axp A 69  ? -14.033 12.604  37.905  1 38.583 ? 108 A 1 .
ATOM 1080 C CG2  . ILE Axp A 69  ? -12.676 11.962  39.961  1 34.081 ? 108 A 1 .
ATOM 1081 C CD1  . ILE Axp A 69  ? -14.57  12.188  36.536  1 40.633 ? 108 A 1 .
ATOM 1082 H H    . ILE Axp A 69  ? -12.641 10.376  36.291  1 29.351 ? 108 A 1 c
ATOM 1083 H HA   . ILE Axp A 69  ? -11.429 12.506  37.477  1 31.22  ? 108 A 1 c
ATOM 1084 H HB   . ILE Axp A 69  ? -13.386 10.734  38.481  1 34.704 ? 108 A 1 c
ATOM 1085 H HG12 . ILE Axp A 69  ? -13.623 13.49   37.825  1 38.14  ? 108 A 1 c
ATOM 1086 H HG13 . ILE Axp A 69  ? -14.786 12.68   38.527  1 38.118 ? 108 A 1 c
ATOM 1087 H HG21 . ILE Axp A 69  ? -13.477 12.292  40.401  1 34.325 ? 108 A 1 c
ATOM 1088 H HG22 . ILE Axp A 69  ? -11.985 12.645  39.999  1 34.258 ? 108 A 1 c
ATOM 1089 H HG23 . ILE Axp A 69  ? -12.365 11.163  40.419  1 34.269 ? 108 A 1 c
ATOM 1090 H HD11 . ILE Axp A 69  ? -13.925 12.423  35.843  1 39.917 ? 108 A 1 c
ATOM 1091 H HD12 . ILE Axp A 69  ? -15.411 12.653  36.365  1 39.978 ? 108 A 1 c
ATOM 1092 H HD13 . ILE Axp A 69  ? -14.726 11.225  36.522  1 39.907 ? 108 A 1 c
ATOM 1093 N N    . ALA Axp A 70  ? -10.645 9.569   38.505  1 28.937 ? 109 A 1 .
ATOM 1094 C CA   . ALA Axp A 70  ? -9.679  8.742   39.209  1 26.386 ? 109 A 1 .
ATOM 1095 C C    . ALA Axp A 70  ? -8.269  9.126   38.769  1 26.001 ? 109 A 1 .
ATOM 1096 O O    . ALA Axp A 70  ? -7.408  9.426   39.598  1 26.097 ? 109 A 1 .
ATOM 1097 C CB   . ALA Axp A 70  ? -9.981  7.285   38.927  1 24.508 ? 109 A 1 .
ATOM 1098 H H    . ALA Axp A 70  ? -11.356 9.157   38.106  1 28.584 ? 109 A 1 c
ATOM 1099 H HA   . ALA Axp A 70  ? -9.765  8.917   40.187  1 26.434 ? 109 A 1 c
ATOM 1100 H HB3  . ALA Axp A 70  ? -9.356  6.721   39.413  1 25.05  ? 109 A 1 c
ATOM 1101 H HB2  . ALA Axp A 70  ? -9.897  7.112   37.975  1 25.05  ? 109 A 1 c
ATOM 1102 H HB1  . ALA Axp A 70  ? -10.888 7.078   39.212  1 25.05  ? 109 A 1 c
ATOM 1103 N N    . VAL Axp A 71  ? -8.091  9.147   37.445  1 23.401 ? 110 A 1 .
ATOM 1104 C CA   . VAL Axp A 71  ? -6.829  9.436   36.799  1 22.663 ? 110 A 1 .
ATOM 1105 C C    . VAL Axp A 71  ? -6.379  10.86   37.139  1 24.794 ? 110 A 1 .
ATOM 1106 O O    . VAL Axp A 71  ? -5.277  11.045  37.639  1 26.416 ? 110 A 1 .
ATOM 1107 C CB   . VAL Axp A 71  ? -7.004  9.227   35.279  1 21.997 ? 110 A 1 .
ATOM 1108 C CG1  . VAL Axp A 71  ? -5.746  9.581   34.497  1 21.672 ? 110 A 1 .
ATOM 1109 C CG2  . VAL Axp A 71  ? -7.451  7.817   34.903  1 21.816 ? 110 A 1 .
ATOM 1110 H H    . VAL Axp A 71  ? -8.816  8.981   36.914  1 23.815 ? 110 A 1 c
ATOM 1111 H HA   . VAL Axp A 71  ? -6.159  8.806   37.128  1 23.078 ? 110 A 1 c
ATOM 1112 H HB   . VAL Axp A 71  ? -7.713  9.846   34.985  1 22.053 ? 110 A 1 c
ATOM 1113 H HG11 . VAL Axp A 71  ? -4.963  9.291   34.994  1 21.775 ? 110 A 1 c
ATOM 1114 H HG12 . VAL Axp A 71  ? -5.706  10.542  34.363  1 21.782 ? 110 A 1 c
ATOM 1115 H HG13 . VAL Axp A 71  ? -5.763  9.136   33.633  1 21.771 ? 110 A 1 c
ATOM 1116 H HG21 . VAL Axp A 71  ? -8.004  7.855   34.105  1 21.834 ? 110 A 1 c
ATOM 1117 H HG22 . VAL Axp A 71  ? -7.962  7.428   35.631  1 21.857 ? 110 A 1 c
ATOM 1118 H HG23 . VAL Axp A 71  ? -6.67   7.266   34.728  1 21.701 ? 110 A 1 c
ATOM 1119 N N    . HIS Axp A 72  ? -7.235  11.861  36.88   1 25.431 ? 111 A 1 .
ATOM 1120 C CA   . HIS Axp A 72  ? -6.933  13.256  37.151  1 25.454 ? 111 A 1 .
ATOM 1121 C C    . HIS Axp A 72  ? -6.42   13.417  38.578  1 23.821 ? 111 A 1 .
ATOM 1122 O O    . HIS Axp A 72  ? -5.473  14.155  38.843  1 23.357 ? 111 A 1 .
ATOM 1123 C CB   . HIS Axp A 72  ? -8.19   14.098  36.935  1 30.09  ? 111 A 1 .
ATOM 1124 C CG   . HIS Axp A 72  ? -8.156  15.467  37.555  1 37.206 ? 111 A 1 .
ATOM 1125 N ND1  . HIS Axp A 72  ? -7.605  16.567  36.923  1 38.388 ? 111 A 1 .
ATOM 1126 C CD2  . HIS Axp A 72  ? -8.629  15.916  38.743  1 38.47  ? 111 A 1 .
ATOM 1127 C CE1  . HIS Axp A 72  ? -7.746  17.637  37.7    1 39.334 ? 111 A 1 .
ATOM 1128 N NE2  . HIS Axp A 72  ? -8.347  17.262  38.817  1 39.884 ? 111 A 1 .
ATOM 1129 H H    . HIS Axp A 72  ? -8.045  11.657  36.509  1 25.295 ? 111 A 1 c
ATOM 1130 H HA   . HIS Axp A 72  ? -6.226  13.553  36.527  1 25.917 ? 111 A 1 c
ATOM 1131 H HB3  . HIS Axp A 72  ? -8.96   13.609  37.298  1 30.35  ? 111 A 1 c
ATOM 1132 H HB2  . HIS Axp A 72  ? -8.338  14.194  35.969  1 30.416 ? 111 A 1 c
ATOM 1133 H HD1  . HIS Axp A 72  ? -7.302  16.503  35.977  0 29.39  ? 111 A 1 c
ATOM 1134 H HD2  . HIS Axp A 72  ? -9.059  15.41   39.404  1 38.354 ? 111 A 1 c
ATOM 1135 H HE1  . HIS Axp A 72  ? -7.44   18.505  37.501  1 39.202 ? 111 A 1 c
ATOM 1136 H HE2  . HIS Axp A 72  ? -8.836  17.739  39.245  0 31.22  ? 111 A 1 c
ATOM 1137 N N    . ASN Axp A 73  ? -7.075  12.72   39.505  1 22.579 ? 112 A 1 .
ATOM 1138 C CA   . ASN Axp A 73  ? -6.709  12.783  40.906  1 22.457 ? 112 A 1 .
ATOM 1139 C C    . ASN Axp A 73  ? -5.312  12.229  41.124  1 21.277 ? 112 A 1 .
ATOM 1140 O O    . ASN Axp A 73  ? -4.498  12.858  41.786  1 21.667 ? 112 A 1 .
ATOM 1141 C CB   . ASN Axp A 73  ? -7.679  11.991  41.764  1 23.967 ? 112 A 1 .
ATOM 1142 C CG   . ASN Axp A 73  ? -9.046  12.613  41.751  1 25.582 ? 112 A 1 .
ATOM 1143 O OD1  . ASN Axp A 73  ? -9.274  13.591  41.024  1 27.721 ? 112 A 1 .
ATOM 1144 N ND2  . ASN Axp A 73  ? -9.958  12.05   42.528  1 26.319 ? 112 A 1 .
ATOM 1145 H H    . ASN Axp A 73  ? -7.779  12.193  39.258  1 22.905 ? 112 A 1 c
ATOM 1146 H HA   . ASN Axp A 73  ? -6.734  13.722  41.2    1 22.568 ? 112 A 1 c
ATOM 1147 H HB3  . ASN Axp A 73  ? -7.347  11.96   42.684  1 23.96  ? 112 A 1 c
ATOM 1148 H HB2  . ASN Axp A 73  ? -7.737  11.075  41.429  1 23.983 ? 112 A 1 c
ATOM 1149 H HD21 . ASN Axp A 73  ? -10.678 12.509  42.769  1 26.086 ? 112 A 1 c
ATOM 1150 H HD22 . ASN Axp A 73  ? -9.849  11.214  42.807  1 26.074 ? 112 A 1 c
ATOM 1151 N N    . PHE Axp A 74  ? -5.076  11.026  40.6    1 19.757 ? 113 A 1 .
ATOM 1152 C CA   . PHE Axp A 74  ? -3.795  10.354  40.709  1 18.929 ? 113 A 1 .
ATOM 1153 C C    . PHE Axp A 74  ? -2.694  11.217  40.098  1 18.273 ? 113 A 1 .
ATOM 1154 O O    . PHE Axp A 74  ? -1.571  11.264  40.585  1 17.265 ? 113 A 1 .
ATOM 1155 C CB   . PHE Axp A 74  ? -3.911  9.021   39.966  1 18.805 ? 113 A 1 .
ATOM 1156 C CG   . PHE Axp A 74  ? -2.7    8.128   40.159  1 18.642 ? 113 A 1 .
ATOM 1157 C CD1  . PHE Axp A 74  ? -1.583  8.211   39.337  1 19.103 ? 113 A 1 .
ATOM 1158 C CD2  . PHE Axp A 74  ? -2.664  7.239   41.215  1 18.989 ? 113 A 1 .
ATOM 1159 C CE1  . PHE Axp A 74  ? -0.474  7.4     39.564  1 19.227 ? 113 A 1 .
ATOM 1160 C CE2  . PHE Axp A 74  ? -1.546  6.445   41.442  1 19.462 ? 113 A 1 .
ATOM 1161 C CZ   . PHE Axp A 74  ? -0.459  6.514   40.609  1 19.08  ? 113 A 1 .
ATOM 1162 H H    . PHE Axp A 74  ? -5.752  10.602  40.153  1 19.948 ? 113 A 1 c
ATOM 1163 H HA   . PHE Axp A 74  ? -3.592  10.184  41.667  1 18.943 ? 113 A 1 c
ATOM 1164 H HB3  . PHE Axp A 74  ? -4.026  9.202   39.007  1 18.818 ? 113 A 1 c
ATOM 1165 H HB2  . PHE Axp A 74  ? -4.71   8.551   40.29   1 18.75  ? 113 A 1 c
ATOM 1166 H HD1  . PHE Axp A 74  ? -1.581  8.817   38.613  1 19.026 ? 113 A 1 c
ATOM 1167 H HD2  . PHE Axp A 74  ? -3.404  7.181   41.798  1 19.018 ? 113 A 1 c
ATOM 1168 H HE1  . PHE Axp A 74  ? 0.271   7.457   38.988  1 19.171 ? 113 A 1 c
ATOM 1169 H HE2  . PHE Axp A 74  ? -1.548  5.831   42.159  1 19.275 ? 113 A 1 c
ATOM 1170 H HZ   . PHE Axp A 74  ? 0.293   5.964   40.758  1 19.198 ? 113 A 1 c
ATOM 1171 N N    . MET Axp A 75  ? -3.023  11.877  38.992  1 18.453 ? 114 A 1 .
ATOM 1172 C CA   . MET Axp A 75  ? -2.07   12.714  38.296  1 18.803 ? 114 A 1 .
ATOM 1173 C C    . MET Axp A 75  ? -1.684  13.908  39.153  1 19.528 ? 114 A 1 .
ATOM 1174 O O    . MET Axp A 75  ? -0.515  14.284  39.211  1 17.632 ? 114 A 1 .
ATOM 1175 C CB   . MET Axp A 75  ? -2.679  13.223  36.997  1 18.694 ? 114 A 1 .
ATOM 1176 C CG   . MET Axp A 75  ? -2.758  12.163  35.957  1 19.256 ? 114 A 1 .
ATOM 1177 S SD   . MET Axp A 75  ? -3.514  12.885  34.495  1 21.951 ? 114 A 1 .
ATOM 1178 C CE   . MET Axp A 75  ? -2.384  14.226  34.081  1 21.643 ? 114 A 1 .
ATOM 1179 H H    . MET Axp A 75  ? -3.867  11.795  38.652  1 18.518 ? 114 A 1 c
ATOM 1180 H HA   . MET Axp A 75  ? -1.259  12.179  38.099  1 18.833 ? 114 A 1 c
ATOM 1181 H HB3  . MET Axp A 75  ? -2.135  13.966  36.662  1 18.889 ? 114 A 1 c
ATOM 1182 H HB2  . MET Axp A 75  ? -3.58   13.565  37.179  1 18.888 ? 114 A 1 c
ATOM 1183 H HG3  . MET Axp A 75  ? -3.299  11.414  36.273  1 19.636 ? 114 A 1 c
ATOM 1184 H HG2  . MET Axp A 75  ? -1.863  11.836  35.737  1 19.605 ? 114 A 1 c
ATOM 1185 H HE3  . MET Axp A 75  ? -1.489  14.005  34.396  1 21.687 ? 114 A 1 c
ATOM 1186 H HE2  . MET Axp A 75  ? -2.687  15.048  34.508  1 21.711 ? 114 A 1 c
ATOM 1187 H HE1  . MET Axp A 75  ? -2.367  14.349  33.114  1 21.711 ? 114 A 1 c
ATOM 1188 N N    . LYS Axp A 76  ? -2.689  14.485  39.813  1 22.217 ? 115 A 1 .
ATOM 1189 C CA   . LYS Axp A 76  ? -2.466  15.618  40.691  1 26.45  ? 115 A 1 .
ATOM 1190 C C    . LYS Axp A 76  ? -1.681  15.155  41.923  1 25.265 ? 115 A 1 .
ATOM 1191 O O    . LYS Axp A 76  ? -0.633  15.719  42.245  1 26.218 ? 115 A 1 .
ATOM 1192 C CB   . LYS Axp A 76  ? -3.819  16.265  41      1 32.311 ? 115 A 1 .
ATOM 1193 C CG   . LYS Axp A 76  ? -3.708  17.745  41.331  1 41.29  ? 115 A 1 .
ATOM 1194 C CD   . LYS Axp A 76  ? -5.04   18.471  41.547  1 48.007 ? 115 A 1 .
ATOM 1195 C CE   . LYS Axp A 76  ? -4.896  19.677  42.444  1 50.39  ? 115 A 1 .
ATOM 1196 N NZ   . LYS Axp A 76  ? -6.107  19.985  43.216  1 50.297 ? 115 A 1 .
ATOM 1197 H H    . LYS Axp A 76  ? -3.539  14.164  39.712  1 22.483 ? 115 A 1 c
ATOM 1198 H HA   . LYS Axp A 76  ? -1.913  16.28   40.202  1 26.343 ? 115 A 1 c
ATOM 1199 H HB3  . LYS Axp A 76  ? -4.231  15.802  41.761  1 32.585 ? 115 A 1 c
ATOM 1200 H HB2  . LYS Axp A 76  ? -4.412  16.162  40.226  1 32.444 ? 115 A 1 c
ATOM 1201 H HG3  . LYS Axp A 76  ? -3.224  18.188  40.6    1 40.281 ? 115 A 1 c
ATOM 1202 H HG2  . LYS Axp A 76  ? -3.162  17.837  42.142  1 40.464 ? 115 A 1 c
ATOM 1203 H HD3  . LYS Axp A 76  ? -5.684  17.848  41.948  1 46.919 ? 115 A 1 c
ATOM 1204 H HD2  . LYS Axp A 76  ? -5.394  18.758  40.677  1 46.92  ? 115 A 1 c
ATOM 1205 H HE3  . LYS Axp A 76  ? -4.671  20.452  41.899  1 49.791 ? 115 A 1 c
ATOM 1206 H HE2  . LYS Axp A 76  ? -4.163  19.533  43.069  1 49.687 ? 115 A 1 c
ATOM 1207 H HZ1  . LYS Axp A 76  ? -6.306  19.291  43.763  1 50.326 ? 115 A 1 c
ATOM 1208 H HZ2  . LYS Axp A 76  ? -6.802  20.129  42.653  1 50.326 ? 115 A 1 c
ATOM 1209 H HZ3  . LYS Axp A 76  ? -5.97   20.728  43.717  1 50.326 ? 115 A 1 c
ATOM 1210 N N    . SER Axp A 77  ? -2.172  14.1    42.589  1 22.022 ? 116 A 1 .
ATOM 1211 C CA   . SER Axp A 77  ? -1.489  13.534  43.735  1 20.174 ? 116 A 1 .
ATOM 1212 C C    . SER Axp A 77  ? 0.012   13.397  43.48   1 21.482 ? 116 A 1 .
ATOM 1213 O O    . SER Axp A 77  ? 0.773   13.777  44.356  1 22.328 ? 116 A 1 .
ATOM 1214 C CB   . SER Axp A 77  ? -2.091  12.228  44.132  1 19.698 ? 116 A 1 .
ATOM 1215 O OG   . SER Axp A 77  ? -3.419  12.414  44.599  1 19.172 ? 116 A 1 .
ATOM 1216 H H    . SER Axp A 77  ? -2.961  13.727  42.318  1 22.315 ? 116 A 1 c
ATOM 1217 H HA   . SER Axp A 77  ? -1.608  14.164  44.491  1 20.673 ? 116 A 1 c
ATOM 1218 H HB3  . SER Axp A 77  ? -1.552  11.823  44.838  1 19.689 ? 116 A 1 c
ATOM 1219 H HB2  . SER Axp A 77  ? -2.096  11.626  43.364  1 19.681 ? 116 A 1 c
ATOM 1220 H HG   . SER Axp A 77  ? -3.758  11.745  44.785  0 14.79  ? 116 A 1 c
ATOM 1221 N N    . TYR Axp A 78  ? 0.438   12.888  42.305  1 23.225 ? 117 A 1 .
ATOM 1222 C CA   . TYR Axp A 78  ? 1.837   12.518  42.054  1 23.845 ? 117 A 1 .
ATOM 1223 C C    . TYR Axp A 78  ? 2.521   13.455  41.053  1 25.043 ? 117 A 1 .
ATOM 1224 O O    . TYR Axp A 78  ? 3.483   13.054  40.383  1 24.345 ? 117 A 1 .
ATOM 1225 C CB   . TYR Axp A 78  ? 1.955   11.062  41.58   1 23.163 ? 117 A 1 .
ATOM 1226 C CG   . TYR Axp A 78  ? 1.473   10.093  42.649  1 23.194 ? 117 A 1 .
ATOM 1227 C CD1  . TYR Axp A 78  ? 2.314   9.669   43.673  1 22.677 ? 117 A 1 .
ATOM 1228 C CD2  . TYR Axp A 78  ? 0.149   9.683   42.697  1 23.15  ? 117 A 1 .
ATOM 1229 C CE1  . TYR Axp A 78  ? 1.867   8.827   44.68   1 21.874 ? 117 A 1 .
ATOM 1230 C CE2  . TYR Axp A 78  ? -0.312  8.847   43.7    1 23.174 ? 117 A 1 .
ATOM 1231 C CZ   . TYR Axp A 78  ? 0.549   8.406   44.686  1 22.948 ? 117 A 1 .
ATOM 1232 O OH   . TYR Axp A 78  ? 0.032   7.557   45.624  1 24.122 ? 117 A 1 .
ATOM 1233 H H    . TYR Axp A 78  ? -0.169  12.761  41.634  1 22.918 ? 117 A 1 c
ATOM 1234 H HA   . TYR Axp A 78  ? 2.327   12.59   42.916  1 23.788 ? 117 A 1 c
ATOM 1235 H HB3  . TYR Axp A 78  ? 2.894   10.868  41.368  1 23.337 ? 117 A 1 c
ATOM 1236 H HB2  . TYR Axp A 78  ? 1.414   10.946  40.767  1 23.325 ? 117 A 1 c
ATOM 1237 H HD1  . TYR Axp A 78  ? 3.215   9.95    43.676  1 22.617 ? 117 A 1 c
ATOM 1238 H HD2  . TYR Axp A 78  ? -0.449  9.972   42.029  1 23.1   ? 117 A 1 c
ATOM 1239 H HE1  . TYR Axp A 78  ? 2.461   8.527   45.347  1 22.332 ? 117 A 1 c
ATOM 1240 H HE2  . TYR Axp A 78  ? -1.207  8.553   43.694  1 23.113 ? 117 A 1 c
ATOM 1241 H HH   . TYR Axp A 78  ? 0.773   7.598   46.257  0 14.78  ? 117 A 1 c
ATOM 1242 N N    . GLY Axp A 79  ? 2.039   14.707  40.977  1 25.329 ? 118 A 1 .
ATOM 1243 C CA   . GLY Axp A 79  ? 2.736   15.783  40.279  1 25.206 ? 118 A 1 .
ATOM 1244 C C    . GLY Axp A 79  ? 3.1     15.427  38.835  1 23.906 ? 118 A 1 .
ATOM 1245 O O    . GLY Axp A 79  ? 4.219   15.664  38.392  1 21.886 ? 118 A 1 .
ATOM 1246 H H    . GLY Axp A 79  ? 1.24    14.899  41.377  1 25.186 ? 118 A 1 c
ATOM 1247 H HA3  . GLY Axp A 79  ? 3.558   16.003  40.776  1 24.94  ? 118 A 1 c
ATOM 1248 H HA2  . GLY Axp A 79  ? 2.162   16.585  40.281  1 24.94  ? 118 A 1 c
ATOM 1249 N N    . VAL Axp A 80  ? 2.138   14.863  38.095  1 23.112 ? 119 A 1 .
ATOM 1250 C CA   . VAL Axp A 80  ? 2.38    14.501  36.712  1 21.201 ? 119 A 1 .
ATOM 1251 C C    . VAL Axp A 80  ? 2.561   15.765  35.885  1 19.456 ? 119 A 1 .
ATOM 1252 O O    . VAL Axp A 80  ? 1.814   16.725  36.043  1 20.374 ? 119 A 1 .
ATOM 1253 C CB   . VAL Axp A 80  ? 1.269   13.624  36.126  1 20.736 ? 119 A 1 .
ATOM 1254 C CG1  . VAL Axp A 80  ? 1.258   13.685  34.605  1 20.954 ? 119 A 1 .
ATOM 1255 C CG2  . VAL Axp A 80  ? 1.416   12.184  36.617  1 21.063 ? 119 A 1 .
ATOM 1256 H H    . VAL Axp A 80  ? 1.316   14.703  38.461  1 22.849 ? 119 A 1 c
ATOM 1257 H HA   . VAL Axp A 80  ? 3.214   13.993  36.678  1 21.092 ? 119 A 1 c
ATOM 1258 H HB   . VAL Axp A 80  ? 0.409   13.977  36.455  1 20.935 ? 119 A 1 c
ATOM 1259 H HG11 . VAL Axp A 80  ? 2.153   13.512  34.269  1 20.717 ? 119 A 1 c
ATOM 1260 H HG12 . VAL Axp A 80  ? 0.962   14.564  34.314  1 20.776 ? 119 A 1 c
ATOM 1261 H HG13 . VAL Axp A 80  ? 0.65    13.011  34.259  1 20.84  ? 119 A 1 c
ATOM 1262 H HG21 . VAL Axp A 80  ? 0.684   11.647  36.271  1 20.967 ? 119 A 1 c
ATOM 1263 H HG22 . VAL Axp A 80  ? 1.397   12.169  37.588  1 20.967 ? 119 A 1 c
ATOM 1264 H HG23 . VAL Axp A 80  ? 2.261   11.819  36.304  1 20.967 ? 119 A 1 c
ATOM 1265 N N    . ASN Axp A 81  ? 3.554   15.718  34.992  1 17.153 ? 120 A 1 .
ATOM 1266 C CA   . ASN Axp A 81  ? 3.808   16.801  34.07   1 15.133 ? 120 A 1 .
ATOM 1267 C C    . ASN Axp A 81  ? 3.887   16.272  32.646  1 14.283 ? 120 A 1 .
ATOM 1268 O O    . ASN Axp A 81  ? 4.505   16.908  31.812  1 15.08  ? 120 A 1 .
ATOM 1269 C CB   . ASN Axp A 81  ? 5.099   17.519  34.432  1 14.513 ? 120 A 1 .
ATOM 1270 C CG   . ASN Axp A 81  ? 6.306   16.619  34.359  1 13.877 ? 120 A 1 .
ATOM 1271 O OD1  . ASN Axp A 81  ? 6.19    15.428  34.078  1 12.666 ? 120 A 1 .
ATOM 1272 N ND2  . ASN Axp A 81  ? 7.478   17.174  34.621  1 14.495 ? 120 A 1 .
ATOM 1273 H H    . ASN Axp A 81  ? 4.088   14.977  34.955  1 17.195 ? 120 A 1 c
ATOM 1274 H HA   . ASN Axp A 81  ? 3.073   17.452  34.129  1 15.275 ? 120 A 1 c
ATOM 1275 H HB3  . ASN Axp A 81  ? 5.022   17.873  35.34   1 14.502 ? 120 A 1 c
ATOM 1276 H HB2  . ASN Axp A 81  ? 5.227   18.275  33.826  1 14.504 ? 120 A 1 c
ATOM 1277 H HD21 . ASN Axp A 81  ? 8.198   16.921  34.169  1 14.302 ? 120 A 1 c
ATOM 1278 H HD22 . ASN Axp A 81  ? 7.542   17.799  35.247  1 14.303 ? 120 A 1 c
ATOM 1279 N N    . PHE Axp A 82  ? 3.264   15.13   32.345  1 13.776 ? 121 A 1 .
ATOM 1280 C CA   . PHE Axp A 82  ? 3.519   14.467  31.07   1 12.89  ? 121 A 1 .
ATOM 1281 C C    . PHE Axp A 82  ? 2.269   13.792  30.517  1 11.747 ? 121 A 1 .
ATOM 1282 O O    . PHE Axp A 82  ? 1.359   13.456  31.263  1 11.508 ? 121 A 1 .
ATOM 1283 C CB   . PHE Axp A 82  ? 4.641   13.438  31.228  1 12.869 ? 121 A 1 .
ATOM 1284 C CG   . PHE Axp A 82  ? 4.384   12.364  32.268  1 12.682 ? 121 A 1 .
ATOM 1285 C CD1  . PHE Axp A 82  ? 3.474   11.341  32.026  1 13.186 ? 121 A 1 .
ATOM 1286 C CD2  . PHE Axp A 82  ? 5.077   12.37   33.462  1 12.453 ? 121 A 1 .
ATOM 1287 C CE1  . PHE Axp A 82  ? 3.261   10.349  32.964  1 13.412 ? 121 A 1 .
ATOM 1288 C CE2  . PHE Axp A 82  ? 4.858   11.381  34.399  1 12.926 ? 121 A 1 .
ATOM 1289 C CZ   . PHE Axp A 82  ? 3.95    10.377  34.153  1 13.414 ? 121 A 1 .
ATOM 1290 H H    . PHE Axp A 82  ? 2.656   14.771  32.921  1 13.854 ? 121 A 1 c
ATOM 1291 H HA   . PHE Axp A 82  ? 3.816   15.154  30.419  1 12.835 ? 121 A 1 c
ATOM 1292 H HB3  . PHE Axp A 82  ? 5.464   13.916  31.47   1 12.831 ? 121 A 1 c
ATOM 1293 H HB2  . PHE Axp A 82  ? 4.796   13.006  30.361  1 12.813 ? 121 A 1 c
ATOM 1294 H HD1  . PHE Axp A 82  ? 3.003   11.319  31.208  1 13.098 ? 121 A 1 c
ATOM 1295 H HD2  . PHE Axp A 82  ? 5.702   13.053  33.637  1 12.643 ? 121 A 1 c
ATOM 1296 H HE1  . PHE Axp A 82  ? 2.634   9.665   32.796  1 13.339 ? 121 A 1 c
ATOM 1297 H HE2  . PHE Axp A 82  ? 5.33    11.398  35.216  1 12.929 ? 121 A 1 c
ATOM 1298 H HZ   . PHE Axp A 82  ? 3.802   9.706   34.8    1 13.287 ? 121 A 1 c
ATOM 1299 N N    . PRO Axp A 83  ? 2.231   13.523  29.197  1 11.159 ? 122 A 1 .
ATOM 1300 C CA   . PRO Axp A 83  ? 1.035   13.013  28.537  1 11.489 ? 122 A 1 .
ATOM 1301 C C    . PRO Axp A 83  ? 0.494   11.69   29.076  1 11.651 ? 122 A 1 .
ATOM 1302 O O    . PRO Axp A 83  ? 1.181   10.673  29.073  1 11.995 ? 122 A 1 .
ATOM 1303 C CB   . PRO Axp A 83  ? 1.437   12.825  27.084  1 11.436 ? 122 A 1 .
ATOM 1304 C CG   . PRO Axp A 83  ? 2.684   13.683  26.938  1 11.698 ? 122 A 1 .
ATOM 1305 C CD   . PRO Axp A 83  ? 3.352   13.712  28.271  1 11.442 ? 122 A 1 .
ATOM 1306 H HA   . PRO Axp A 83  ? 0.331   13.693  28.585  1 11.446 ? 122 A 1 c
ATOM 1307 H HB3  . PRO Axp A 83  ? 0.73    13.131  26.484  1 11.51  ? 122 A 1 c
ATOM 1308 H HB2  . PRO Axp A 83  ? 1.635   11.888  26.891  1 11.522 ? 122 A 1 c
ATOM 1309 H HG3  . PRO Axp A 83  ? 2.444   14.59   26.66   1 11.579 ? 122 A 1 c
ATOM 1310 H HG2  . PRO Axp A 83  ? 3.284   13.302  26.267  1 11.579 ? 122 A 1 c
ATOM 1311 H HD3  . PRO Axp A 83  ? 4.002   12.989  28.358  1 11.462 ? 122 A 1 c
ATOM 1312 H HD2  . PRO Axp A 83  ? 3.793   14.567  28.424  1 11.47  ? 122 A 1 c
ATOM 1313 N N    . VAL Axp A 84  ? -0.764  11.727  29.516  1 11.599 ? 123 A 1 .
ATOM 1314 C CA   . VAL Axp A 84  ? -1.468  10.549  29.953  1 11.901 ? 123 A 1 .
ATOM 1315 C C    . VAL Axp A 84  ? -2.671  10.35   29.051  1 12.705 ? 123 A 1 .
ATOM 1316 O O    . VAL Axp A 84  ? -3.37   11.301  28.739  1 13.268 ? 123 A 1 .
ATOM 1317 C CB   . VAL Axp A 84  ? -1.932  10.715  31.4    1 12.266 ? 123 A 1 .
ATOM 1318 C CG1  . VAL Axp A 84  ? -2.881  9.593   31.778  1 12.494 ? 123 A 1 .
ATOM 1319 C CG2  . VAL Axp A 84  ? -0.77   10.793  32.388  1 12.736 ? 123 A 1 .
ATOM 1320 H H    . VAL Axp A 84  ? -1.2    12.529  29.544  1 11.676 ? 123 A 1 c
ATOM 1321 H HA   . VAL Axp A 84  ? -0.879  9.774   29.888  1 12.061 ? 123 A 1 c
ATOM 1322 H HB   . VAL Axp A 84  ? -2.43   11.564  31.451  1 12.324 ? 123 A 1 c
ATOM 1323 H HG11 . VAL Axp A 84  ? -2.556  8.753   31.417  1 12.416 ? 123 A 1 c
ATOM 1324 H HG12 . VAL Axp A 84  ? -3.766  9.779   31.42   1 12.423 ? 123 A 1 c
ATOM 1325 H HG13 . VAL Axp A 84  ? -2.935  9.529   32.746  1 12.412 ? 123 A 1 c
ATOM 1326 H HG21 . VAL Axp A 84  ? -1.093  11.122  33.244  1 12.593 ? 123 A 1 c
ATOM 1327 H HG22 . VAL Axp A 84  ? -0.091  11.397  32.046  1 12.584 ? 123 A 1 c
ATOM 1328 H HG23 . VAL Axp A 84  ? -0.385  9.908   32.507  1 12.595 ? 123 A 1 c
ATOM 1329 N N    . VAL Axp A 85  ? -2.935  9.104   28.676  1 13.359 ? 124 A 1 .
ATOM 1330 C CA   . VAL Axp A 85  ? -4.044  8.818   27.794  1 14.121 ? 124 A 1 .
ATOM 1331 C C    . VAL Axp A 85  ? -4.877  7.72    28.428  1 15.136 ? 124 A 1 .
ATOM 1332 O O    . VAL Axp A 85  ? -4.375  7.009   29.291  1 15.774 ? 124 A 1 .
ATOM 1333 C CB   . VAL Axp A 85  ? -3.564  8.413   26.397  1 13.894 ? 124 A 1 .
ATOM 1334 C CG1  . VAL Axp A 85  ? -2.734  9.507   25.763  1 14.404 ? 124 A 1 .
ATOM 1335 C CG2  . VAL Axp A 85  ? -2.774  7.13    26.436  1 13.954 ? 124 A 1 .
ATOM 1336 H H    . VAL Axp A 85  ? -2.419  8.415   28.983  1 13.363 ? 124 A 1 c
ATOM 1337 H HA   . VAL Axp A 85  ? -4.597  9.615   27.715  1 14.202 ? 124 A 1 c
ATOM 1338 H HB   . VAL Axp A 85  ? -4.365  8.268   25.84   1 14.041 ? 124 A 1 c
ATOM 1339 H HG11 . VAL Axp A 85  ? -1.859  9.536   26.184  1 14.279 ? 124 A 1 c
ATOM 1340 H HG12 . VAL Axp A 85  ? -3.177  10.363  25.881  1 14.396 ? 124 A 1 c
ATOM 1341 H HG13 . VAL Axp A 85  ? -2.629  9.327   24.814  1 14.284 ? 124 A 1 c
ATOM 1342 H HG21 . VAL Axp A 85  ? -2.317  7.005   25.587  1 13.935 ? 124 A 1 c
ATOM 1343 H HG22 . VAL Axp A 85  ? -3.374  6.381   26.591  1 13.937 ? 124 A 1 c
ATOM 1344 H HG23 . VAL Axp A 85  ? -2.117  7.171   27.151  1 13.914 ? 124 A 1 c
ATOM 1345 N N    . LEU Axp A 86  ? -6.128  7.603   27.968  1 15.731 ? 125 A 1 .
ATOM 1346 C CA   . LEU Axp A 86  ? -7.133  6.759   28.577  1 16.753 ? 125 A 1 .
ATOM 1347 C C    . LEU Axp A 86  ? -7.483  5.642   27.606  1 19.149 ? 125 A 1 .
ATOM 1348 O O    . LEU Axp A 86  ? -7.987  5.903   26.527  1 19.19  ? 125 A 1 .
ATOM 1349 C CB   . LEU Axp A 86  ? -8.34   7.636   28.869  1 16.774 ? 125 A 1 .
ATOM 1350 C CG   . LEU Axp A 86  ? -8.078  8.876   29.734  1 17.449 ? 125 A 1 .
ATOM 1351 C CD1  . LEU Axp A 86  ? -9.033  9.997   29.359  1 18.101 ? 125 A 1 .
ATOM 1352 C CD2  . LEU Axp A 86  ? -8.205  8.608   31.228  1 17.417 ? 125 A 1 .
ATOM 1353 H H    . LEU Axp A 86  ? -6.362  8.083   27.226  1 15.788 ? 125 A 1 c
ATOM 1354 H HA   . LEU Axp A 86  ? -6.78   6.379   29.421  1 17.015 ? 125 A 1 c
ATOM 1355 H HB3  . LEU Axp A 86  ? -9.019  7.082   29.319  1 16.929 ? 125 A 1 c
ATOM 1356 H HB2  . LEU Axp A 86  ? -8.72   7.931   28.01   1 16.955 ? 125 A 1 c
ATOM 1357 H HG   . LEU Axp A 86  ? -7.155  9.19    29.557  1 17.415 ? 125 A 1 c
ATOM 1358 H HD11 . LEU Axp A 86  ? -8.862  10.278  28.444  1 17.898 ? 125 A 1 c
ATOM 1359 H HD12 . LEU Axp A 86  ? -8.902  10.75   29.958  1 17.899 ? 125 A 1 c
ATOM 1360 H HD13 . LEU Axp A 86  ? -9.95   9.681   29.433  1 17.903 ? 125 A 1 c
ATOM 1361 H HD21 . LEU Axp A 86  ? -7.587  7.904   31.485  1 17.427 ? 125 A 1 c
ATOM 1362 H HD22 . LEU Axp A 86  ? -9.114  8.331   31.432  1 17.427 ? 125 A 1 c
ATOM 1363 H HD23 . LEU Axp A 86  ? -7.996  9.418   31.722  1 17.429 ? 125 A 1 c
ATOM 1364 N N    . ASP Axp A 87  ? -7.165  4.404   27.982  1 23.667 ? 126 A 1 .
ATOM 1365 C CA   . ASP Axp A 87  ? -7.518  3.232   27.194  1 27.687 ? 126 A 1 .
ATOM 1366 C C    . ASP Axp A 87  ? -8.874  2.734   27.688  1 28.194 ? 126 A 1 .
ATOM 1367 O O    . ASP Axp A 87  ? -8.926  1.686   28.321  1 26.194 ? 126 A 1 .
ATOM 1368 C CB   . ASP Axp A 87  ? -6.438  2.153   27.286  1 29.165 ? 126 A 1 .
ATOM 1369 C CG   . ASP Axp A 87  ? -6.573  0.946   26.356  1 31.239 ? 126 A 1 .
ATOM 1370 O OD1  . ASP Axp A 87  ? -7.473  0.956   25.46   1 32.4   ? 126 A 1 .
ATOM 1371 O OD2  . ASP Axp A 87  ? -5.768  -0.008  26.527  1 31.107 ? 126 A 1 .
ATOM 1372 H H    . ASP Axp A 87  ? -6.705  4.281   28.763  1 23.195 ? 126 A 1 c
ATOM 1373 H HA   . ASP Axp A 87  ? -7.603  3.501   26.251  1 27.131 ? 126 A 1 c
ATOM 1374 H HB3  . ASP Axp A 87  ? -6.399  1.823   28.208  1 29.232 ? 126 A 1 c
ATOM 1375 H HB2  . ASP Axp A 87  ? -5.577  2.577   27.091  1 29.129 ? 126 A 1 c
ATOM 1376 N N    . THR Axp A 88  ? -9.948  3.476   27.356  1 29.941 ? 127 A 1 .
ATOM 1377 C CA   . THR Axp A 88  ? -11.23  3.382   28.05   1 32.792 ? 127 A 1 .
ATOM 1378 C C    . THR Axp A 88  ? -11.739 1.944   28.035  1 34.222 ? 127 A 1 .
ATOM 1379 O O    . THR Axp A 88  ? -12.117 1.422   29.092  1 40.369 ? 127 A 1 .
ATOM 1380 C CB   . THR Axp A 88  ? -12.303 4.332   27.499  1 32.989 ? 127 A 1 .
ATOM 1381 O OG1  . THR Axp A 88  ? -12.451 4.05    26.111  1 34.919 ? 127 A 1 .
ATOM 1382 C CG2  . THR Axp A 88  ? -11.988 5.805   27.712  1 31.942 ? 127 A 1 .
ATOM 1383 H H    . THR Axp A 88  ? -9.873  4.067   26.663  1 30.103 ? 127 A 1 c
ATOM 1384 H HA   . THR Axp A 88  ? -11.071 3.632   28.986  1 32.401 ? 127 A 1 c
ATOM 1385 H HB   . THR Axp A 88  ? -13.157 4.138   27.953  1 33.128 ? 127 A 1 c
ATOM 1386 H HG1  . THR Axp A 88  ? -11.833 4.455   26.131  0 19.6   ? 127 A 1 c
ATOM 1387 H HG21 . THR Axp A 88  ? -12.725 6.346   27.383  1 32.248 ? 127 A 1 c
ATOM 1388 H HG22 . THR Axp A 88  ? -11.177 6.037   27.229  1 32.248 ? 127 A 1 c
ATOM 1389 H HG23 . THR Axp A 88  ? -11.86  5.976   28.66   1 32.248 ? 127 A 1 c
ATOM 1390 N N    . ASP Axp A 89  ? -11.773 1.311   26.854  1 31.79  ? 128 A 1 .
ATOM 1391 C CA   . ASP Axp A 89  ? -12.294 -0.042  26.781  1 32.171 ? 128 A 1 .
ATOM 1392 C C    . ASP Axp A 89  ? -11.169 -1.048  26.497  1 31.545 ? 128 A 1 .
ATOM 1393 O O    . ASP Axp A 89  ? -11.393 -2.092  25.892  1 30.702 ? 128 A 1 .
ATOM 1394 C CB   . ASP Axp A 89  ? -13.486 -0.046  25.848  1 33.203 ? 128 A 1 .
ATOM 1395 C CG   . ASP Axp A 89  ? -13.102 -0.078  24.388  1 36.137 ? 128 A 1 .
ATOM 1396 O OD1  . ASP Axp A 89  ? -11.892 -0.22   24.124  1 39.087 ? 128 A 1 .
ATOM 1397 O OD2  . ASP Axp A 89  ? -14.02  0.037   23.561  1 40.662 ? 128 A 1 .
ATOM 1398 H H    . ASP Axp A 89  ? -11.475 1.722   26.095  1 32.427 ? 128 A 1 c
ATOM 1399 H HA   . ASP Axp A 89  ? -12.668 -0.269  27.662  1 32.238 ? 128 A 1 c
ATOM 1400 H HB3  . ASP Axp A 89  ? -14.025 0.757   26.01   1 33.604 ? 128 A 1 c
ATOM 1401 H HB2  . ASP Axp A 89  ? -14.041 -0.83   26.04   1 33.613 ? 128 A 1 c
ATOM 1402 N N    . ARG Axp A 90  ? -9.939  -0.704  26.907  1 31.502 ? 129 A 1 .
ATOM 1403 C CA   . ARG Axp A 90  ? -8.889  -1.668  27.221  1 29.181 ? 129 A 1 .
ATOM 1404 C C    . ARG Axp A 90  ? -8.295  -2.328  25.967  1 26.086 ? 129 A 1 .
ATOM 1405 O O    . ARG Axp A 90  ? -7.558  -3.302  26.091  1 24.029 ? 129 A 1 .
ATOM 1406 C CB   . ARG Axp A 90  ? -9.421  -2.687  28.246  1 30.48  ? 129 A 1 .
ATOM 1407 C CG   . ARG Axp A 90  ? -10.091 -2.076  29.473  1 32.298 ? 129 A 1 .
ATOM 1408 C CD   . ARG Axp A 90  ? -10.721 -3.047  30.452  1 32.932 ? 129 A 1 .
ATOM 1409 N NE   . ARG Axp A 90  ? -9.78   -4.116  30.793  1 33.738 ? 129 A 1 .
ATOM 1410 C CZ   . ARG Axp A 90  ? -8.928  -4.104  31.82   1 35.423 ? 129 A 1 .
ATOM 1411 N NH1  . ARG Axp A 90  ? -8.91   -3.109  32.692  1 34.784 ? 129 A 1 .
ATOM 1412 N NH2  . ARG Axp A 90  ? -8.083  -5.106  31.981  1 35.697 ? 129 A 1 .
ATOM 1413 H H    . ARG Axp A 90  ? -9.74   0.184   26.985  1 30.986 ? 129 A 1 c
ATOM 1414 H HA   . ARG Axp A 90  ? -8.157  -1.171  27.667  1 29.25  ? 129 A 1 c
ATOM 1415 H HB3  . ARG Axp A 90  ? -8.67   -3.243  28.546  1 30.563 ? 129 A 1 c
ATOM 1416 H HB2  . ARG Axp A 90  ? -10.064 -3.277  27.799  1 30.585 ? 129 A 1 c
ATOM 1417 H HG3  . ARG Axp A 90  ? -10.784 -1.45   29.174  1 32.014 ? 129 A 1 c
ATOM 1418 H HG2  . ARG Axp A 90  ? -9.423  -1.543  29.957  1 32.017 ? 129 A 1 c
ATOM 1419 H HD3  . ARG Axp A 90  ? -11.525 -3.437  30.052  1 32.98  ? 129 A 1 c
ATOM 1420 H HD2  . ARG Axp A 90  ? -10.985 -2.571  31.265  1 32.998 ? 129 A 1 c
ATOM 1421 H HE   . ARG Axp A 90  ? -9.774  -4.823  30.283  1 33.951 ? 129 A 1 c
ATOM 1422 H HH11 . ARG Axp A 90  ? -8.72   -2.29   32.42   1 34.979 ? 129 A 1 c
ATOM 1423 H HH12 . ARG Axp A 90  ? -9.087  -3.268  33.544  1 34.979 ? 129 A 1 c
ATOM 1424 H HH21 . ARG Axp A 90  ? -8.371  -5.939  31.915  1 35.612 ? 129 A 1 c
ATOM 1425 H HH22 . ARG Axp A 90  ? -7.232  -4.939  32.155  1 35.612 ? 129 A 1 c
ATOM 1426 N N    . GLN Axp A 91  ? -8.538  -1.766  24.773  1 23.903 ? 130 A 1 .
ATOM 1427 C CA   . GLN Axp A 91  ? -8.147  -2.425  23.537  1 24.563 ? 130 A 1 .
ATOM 1428 C C    . GLN Axp A 91  ? -6.641  -2.348  23.263  1 23.422 ? 130 A 1 .
ATOM 1429 O O    . GLN Axp A 91  ? -6.032  -3.279  22.729  1 22.032 ? 130 A 1 .
ATOM 1430 C CB   . GLN Axp A 91  ? -8.899  -1.762  22.395  1 27.073 ? 130 A 1 .
ATOM 1431 C CG   . GLN Axp A 91  ? -10.406 -1.74   22.595  1 30.938 ? 130 A 1 .
ATOM 1432 C CD   . GLN Axp A 91  ? -11.149 -1.516  21.29   1 35.523 ? 130 A 1 .
ATOM 1433 O OE1  . GLN Axp A 91  ? -10.533 -1.421  20.216  1 34.326 ? 130 A 1 .
ATOM 1434 N NE2  . GLN Axp A 91  ? -12.476 -1.496  21.345  1 37.91  ? 130 A 1 .
ATOM 1435 H H    . GLN Axp A 91  ? -8.931  -0.942  24.732  1 24.757 ? 130 A 1 c
ATOM 1436 H HA   . GLN Axp A 91  ? -8.414  -3.378  23.589  1 24.663 ? 130 A 1 c
ATOM 1437 H HB3  . GLN Axp A 91  ? -8.691  -2.242  21.566  1 27.368 ? 130 A 1 c
ATOM 1438 H HB2  . GLN Axp A 91  ? -8.577  -0.842  22.296  1 27.289 ? 130 A 1 c
ATOM 1439 H HG3  . GLN Axp A 91  ? -10.633 -1.026  23.217  1 30.973 ? 130 A 1 c
ATOM 1440 H HG2  . GLN Axp A 91  ? -10.696 -2.59   22.99   1 30.976 ? 130 A 1 c
ATOM 1441 H HE21 . GLN Axp A 91  ? -12.932 -0.956  20.809  1 37.159 ? 130 A 1 c
ATOM 1442 H HE22 . GLN Axp A 91  ? -12.903 -2.022  21.917  1 37.159 ? 130 A 1 c
ATOM 1443 N N    . VAL Axp A 92  ? -6.051  -1.201  23.598  1 23.507 ? 131 A 1 .
ATOM 1444 C CA   . VAL Axp A 92  ? -4.635  -0.958  23.403  1 23.104 ? 131 A 1 .
ATOM 1445 C C    . VAL Axp A 92  ? -3.834  -1.89   24.288  1 22.903 ? 131 A 1 .
ATOM 1446 O O    . VAL Axp A 92  ? -2.761  -2.347  23.935  1 20.223 ? 131 A 1 .
ATOM 1447 C CB   . VAL Axp A 92  ? -4.312  0.495   23.769  1 23.501 ? 131 A 1 .
ATOM 1448 C CG1  . VAL Axp A 92  ? -2.857  0.838   23.43   1 24.338 ? 131 A 1 .
ATOM 1449 C CG2  . VAL Axp A 92  ? -5.309  1.45    23.122  1 22.991 ? 131 A 1 .
ATOM 1450 H H    . VAL Axp A 92  ? -6.56   -0.541  23.971  1 23.437 ? 131 A 1 c
ATOM 1451 H HA   . VAL Axp A 92  ? -4.405  -1.118  22.467  1 23.216 ? 131 A 1 c
ATOM 1452 H HB   . VAL Axp A 92  ? -4.409  0.577   24.743  1 23.557 ? 131 A 1 c
ATOM 1453 H HG11 . VAL Axp A 92  ? -2.64   0.495   22.547  1 24.064 ? 131 A 1 c
ATOM 1454 H HG12 . VAL Axp A 92  ? -2.266  0.434   24.087  1 24.013 ? 131 A 1 c
ATOM 1455 H HG13 . VAL Axp A 92  ? -2.739  1.802   23.441  1 24.063 ? 131 A 1 c
ATOM 1456 H HG21 . VAL Axp A 92  ? -4.845  2.248   22.817  1 23.175 ? 131 A 1 c
ATOM 1457 H HG22 . VAL Axp A 92  ? -5.986  1.702   23.768  1 23.23  ? 131 A 1 c
ATOM 1458 H HG23 . VAL Axp A 92  ? -5.733  1.017   22.362  1 23.167 ? 131 A 1 c
ATOM 1459 N N    . LEU Axp A 93  ? -4.37   -2.109  25.479  1 28.114 ? 132 A 1 .
ATOM 1460 C CA   . LEU Axp A 93  ? -3.772  -3.052  26.403  1 33.611 ? 132 A 1 .
ATOM 1461 C C    . LEU Axp A 93  ? -3.682  -4.429  25.743  1 31.549 ? 132 A 1 .
ATOM 1462 O O    . LEU Axp A 93  ? -2.648  -5.091  25.827  1 30.527 ? 132 A 1 .
ATOM 1463 C CB   . LEU Axp A 93  ? -4.559  -3.129  27.708  1 36.793 ? 132 A 1 .
ATOM 1464 C CG   . LEU Axp A 93  ? -3.972  -4.144  28.692  1 41.159 ? 132 A 1 .
ATOM 1465 C CD1  . LEU Axp A 93  ? -3.074  -3.448  29.698  1 41.406 ? 132 A 1 .
ATOM 1466 C CD2  . LEU Axp A 93  ? -5.111  -4.921  29.316  1 42.176 ? 132 A 1 .
ATOM 1467 H H    . LEU Axp A 93  ? -5.12   -1.654  25.734  1 27.856 ? 132 A 1 c
ATOM 1468 H HA   . LEU Axp A 93  ? -2.851  -2.743  26.602  1 32.538 ? 132 A 1 c
ATOM 1469 H HB3  . LEU Axp A 93  ? -5.486  -3.386  27.5    1 36.94  ? 132 A 1 c
ATOM 1470 H HB2  . LEU Axp A 93  ? -4.557  -2.238  28.129  1 36.988 ? 132 A 1 c
ATOM 1471 H HG   . LEU Axp A 93  ? -3.413  -4.785  28.185  1 40.383 ? 132 A 1 c
ATOM 1472 H HD11 . LEU Axp A 93  ? -2.42   -2.903  29.228  1 41.212 ? 132 A 1 c
ATOM 1473 H HD12 . LEU Axp A 93  ? -2.614  -4.112  30.238  1 41.211 ? 132 A 1 c
ATOM 1474 H HD13 . LEU Axp A 93  ? -3.612  -2.88   30.275  1 40.974 ? 132 A 1 c
ATOM 1475 H HD21 . LEU Axp A 93  ? -5.544  -5.465  28.636  1 41.836 ? 132 A 1 c
ATOM 1476 H HD22 . LEU Axp A 93  ? -5.757  -4.303  29.695  1 41.864 ? 132 A 1 c
ATOM 1477 H HD23 . LEU Axp A 93  ? -4.765  -5.497  30.018  1 41.864 ? 132 A 1 c
ATOM 1478 N N    . ASP Axp A 94  ? -4.781  -4.842  25.097  1 29.667 ? 133 A 1 .
ATOM 1479 C CA   . ASP Axp A 94  ? -4.892  -6.156  24.493  1 29.499 ? 133 A 1 .
ATOM 1480 C C    . ASP Axp A 94  ? -4.032  -6.204  23.245  1 29.328 ? 133 A 1 .
ATOM 1481 O O    . ASP Axp A 94  ? -3.432  -7.231  22.922  1 33.005 ? 133 A 1 .
ATOM 1482 C CB   . ASP Axp A 94  ? -6.34   -6.499  24.208  1 30.435 ? 133 A 1 .
ATOM 1483 C CG   . ASP Axp A 94  ? -7.196  -6.677  25.462  1 35.669 ? 133 A 1 .
ATOM 1484 O OD1  . ASP Axp A 94  ? -6.648  -7.055  26.541  1 37.664 ? 133 A 1 .
ATOM 1485 O OD2  . ASP Axp A 94  ? -8.406  -6.371  25.392  1 39.908 ? 133 A 1 .
ATOM 1486 H H    . ASP Axp A 94  ? -5.497  -4.278  25.041  1 30.047 ? 133 A 1 c
ATOM 1487 H HA   . ASP Axp A 94  ? -4.545  -6.819  25.133  1 29.723 ? 133 A 1 c
ATOM 1488 H HB3  . ASP Axp A 94  ? -6.374  -7.331  23.691  1 31.321 ? 133 A 1 c
ATOM 1489 H HB2  . ASP Axp A 94  ? -6.735  -5.787  23.663  1 31.323 ? 133 A 1 c
ATOM 1490 N N    . ALA Axp A 95  ? -3.978  -5.068  22.559  1 28.538 ? 134 A 1 .
ATOM 1491 C CA   . ALA Axp A 95  ? -3.093  -4.931  21.42   1 27.916 ? 134 A 1 .
ATOM 1492 C C    . ALA Axp A 95  ? -1.645  -5.167  21.852  1 26.977 ? 134 A 1 .
ATOM 1493 O O    . ALA Axp A 95  ? -0.871  -5.754  21.106  1 26.023 ? 134 A 1 .
ATOM 1494 C CB   . ALA Axp A 95  ? -3.303  -3.57   20.794  1 28.045 ? 134 A 1 .
ATOM 1495 H H    . ALA Axp A 95  ? -4.511  -4.364  22.796  1 28.588 ? 134 A 1 c
ATOM 1496 H HA   . ALA Axp A 95  ? -3.335  -5.633  20.755  1 27.916 ? 134 A 1 c
ATOM 1497 H HB3  . ALA Axp A 95  ? -2.863  -3.537  19.928  1 27.987 ? 134 A 1 c
ATOM 1498 H HB2  . ALA Axp A 95  ? -2.927  -2.883  21.37   1 27.947 ? 134 A 1 c
ATOM 1499 H HB1  . ALA Axp A 95  ? -4.254  -3.406  20.677  1 27.963 ? 134 A 1 c
ATOM 1500 N N    . TYR Axp A 96  ? -1.304  -4.735  23.074  1 27.85  ? 135 A 1 .
ATOM 1501 C CA   . TYR Axp A 96  ? 0.072   -4.726  23.543  1 27.076 ? 135 A 1 .
ATOM 1502 C C    . TYR Axp A 96  ? 0.378   -5.957  24.383  1 30.29  ? 135 A 1 .
ATOM 1503 O O    . TYR Axp A 96  ? 1.528   -6.152  24.757  1 31.15  ? 135 A 1 .
ATOM 1504 C CB   . TYR Axp A 96  ? 0.401   -3.458  24.34   1 24.467 ? 135 A 1 .
ATOM 1505 C CG   . TYR Axp A 96  ? 1.012   -2.416  23.423  1 22.216 ? 135 A 1 .
ATOM 1506 C CD1  . TYR Axp A 96  ? 0.205   -1.542  22.703  1 20.692 ? 135 A 1 .
ATOM 1507 C CD2  . TYR Axp A 96  ? 2.39    -2.379  23.209  1 20.595 ? 135 A 1 .
ATOM 1508 C CE1  . TYR Axp A 96  ? 0.759   -0.613  21.843  1 20.169 ? 135 A 1 .
ATOM 1509 C CE2  . TYR Axp A 96  ? 2.952   -1.49   22.313  1 18.796 ? 135 A 1 .
ATOM 1510 C CZ   . TYR Axp A 96  ? 2.131   -0.604  21.642  1 18.994 ? 135 A 1 .
ATOM 1511 O OH   . TYR Axp A 96  ? 2.656   0.29    20.771  1 18.156 ? 135 A 1 .
ATOM 1512 H H    . TYR Axp A 96  ? -1.953  -4.411  23.628  1 27.521 ? 135 A 1 c
ATOM 1513 H HA   . TYR Axp A 96  ? 0.667   -4.747  22.747  1 27.243 ? 135 A 1 c
ATOM 1514 H HB3  . TYR Axp A 96  ? 1.038   -3.678  25.056  1 24.629 ? 135 A 1 c
ATOM 1515 H HB2  . TYR Axp A 96  ? -0.423  -3.103  24.74   1 24.527 ? 135 A 1 c
ATOM 1516 H HD1  . TYR Axp A 96  ? -0.728  -1.552  22.836  1 20.89  ? 135 A 1 c
ATOM 1517 H HD2  . TYR Axp A 96  ? 2.947   -2.996  23.658  1 20.514 ? 135 A 1 c
ATOM 1518 H HE1  . TYR Axp A 96  ? 0.206   -0.02   21.366  1 20.011 ? 135 A 1 c
ATOM 1519 H HE2  . TYR Axp A 96  ? 3.885   -1.462  22.187  1 19.281 ? 135 A 1 c
ATOM 1520 H HH   . TYR Axp A 96  ? 2.039   0.725   20.411  0 11.32  ? 135 A 1 c
ATOM 1521 N N    . ASP Axp A 97  ? -0.652  -6.749  24.704  1 33.703 ? 136 A 1 .
ATOM 1522 C CA   . ASP Axp A 97  ? -0.473  -8.021  25.387  1 34.566 ? 136 A 1 .
ATOM 1523 C C    . ASP Axp A 97  ? 0.076   -7.829  26.801  1 31.508 ? 136 A 1 .
ATOM 1524 O O    . ASP Axp A 97  ? 0.798   -8.678  27.304  1 31.77  ? 136 A 1 .
ATOM 1525 C CB   . ASP Axp A 97  ? 0.443   -8.924  24.579  1 37.717 ? 136 A 1 .
ATOM 1526 C CG   . ASP Axp A 97  ? 0.24    -10.414 24.794  1 43.855 ? 136 A 1 .
ATOM 1527 O OD1  . ASP Axp A 97  ? -0.477  -10.801 25.748  1 46.885 ? 136 A 1 .
ATOM 1528 O OD2  . ASP Axp A 97  ? 0.775   -11.176 23.978  1 50.42  ? 136 A 1 .
ATOM 1529 H H    . ASP Axp A 97  ? -1.501  -6.485  24.498  1 32.886 ? 136 A 1 c
ATOM 1530 H HA   . ASP Axp A 97  ? -1.352  -8.457  25.451  1 34.475 ? 136 A 1 c
ATOM 1531 H HB3  . ASP Axp A 97  ? 1.378   -8.713  24.786  1 38.151 ? 136 A 1 c
ATOM 1532 H HB2  . ASP Axp A 97  ? 0.302   -8.74   23.627  1 38.192 ? 136 A 1 c
ATOM 1533 N N    . VAL Axp A 98  ? -0.318  -6.743  27.463  1 31.472 ? 137 A 1 .
ATOM 1534 C CA   . VAL Axp A 98  ? 0.301   -6.331  28.714  1 34.109 ? 137 A 1 .
ATOM 1535 C C    . VAL Axp A 98  ? -0.292  -7.079  29.897  1 33.345 ? 137 A 1 .
ATOM 1536 O O    . VAL Axp A 98  ? -1.51   -7.247  29.946  1 35.654 ? 137 A 1 .
ATOM 1537 C CB   . VAL Axp A 98  ? 0.126   -4.82   28.979  1 37.513 ? 137 A 1 .
ATOM 1538 C CG1  . VAL Axp A 98  ? 0.452   -4.448  30.428  1 36.19  ? 137 A 1 .
ATOM 1539 C CG2  . VAL Axp A 98  ? 0.942   -3.974  28.006  1 39.205 ? 137 A 1 .
ATOM 1540 H H    . VAL Axp A 98  ? -1.006  -6.242  27.129  1 32.152 ? 137 A 1 c
ATOM 1541 H HA   . VAL Axp A 98  ? 1.257   -6.528  28.665  1 34.025 ? 137 A 1 c
ATOM 1542 H HB   . VAL Axp A 98  ? -0.823  -4.611  28.825  1 36.956 ? 137 A 1 c
ATOM 1543 H HG11 . VAL Axp A 98  ? 1.287   -4.871  30.693  1 36.546 ? 137 A 1 c
ATOM 1544 H HG12 . VAL Axp A 98  ? -0.263  -4.749  31.013  1 36.552 ? 137 A 1 c
ATOM 1545 H HG13 . VAL Axp A 98  ? 0.542   -3.483  30.504  1 36.587 ? 137 A 1 c
ATOM 1546 H HG21 . VAL Axp A 98  ? 1.364   -3.243  28.486  1 37.965 ? 137 A 1 c
ATOM 1547 H HG22 . VAL Axp A 98  ? 0.356   -3.614  27.32   1 38.288 ? 137 A 1 c
ATOM 1548 H HG23 . VAL Axp A 98  ? 1.626   -4.524  27.59   1 37.882 ? 137 A 1 c
ATOM 1549 N N    . SER Axp A 99  ? 0.615   -7.479  30.815  1 34.455 ? 138 A 1 .
ATOM 1550 C CA   . SER Axp A 99  ? 0.447   -7.598  32.271  1 35.37  ? 138 A 1 .
ATOM 1551 C C    . SER Axp A 99  ? 1.546   -8.532  32.797  1 35.184 ? 138 A 1 .
ATOM 1552 O O    . SER Axp A 99  ? 1.59    -9.692  32.387  1 37.291 ? 138 A 1 .
ATOM 1553 C CB   . SER Axp A 99  ? -0.942  -8.054  32.735  1 34.275 ? 138 A 1 .
ATOM 1554 O OG   . SER Axp A 99  ? -1.021  -9.464  32.838  1 32.491 ? 138 A 1 .
ATOM 1555 H H    . SER Axp A 99  ? 1.435   -7.707  30.483  1 34.392 ? 138 A 1 c
ATOM 1556 H HA   . SER Axp A 99  ? 0.602   -6.71   32.649  1 34.82  ? 138 A 1 c
ATOM 1557 H HB3  . SER Axp A 99  ? -1.617  -7.736  32.111  1 34.084 ? 138 A 1 c
ATOM 1558 H HB2  . SER Axp A 99  ? -1.132  -7.658  33.605  1 34.08  ? 138 A 1 c
ATOM 1559 H HG   . SER Axp A 99  ? -1.712  -9.8    32.872  0 23.9   ? 138 A 1 c
ATOM 1560 N N    . PRO Axp A 100 ? 2.443   -8.16   33.745  1 31.546 ? 139 A 1 .
ATOM 1561 C CA   . PRO Axp A 100 ? 2.212   -7.219  34.838  1 30.043 ? 139 A 1 .
ATOM 1562 C C    . PRO Axp A 100 ? 1.711   -5.814  34.537  1 28.215 ? 139 A 1 .
ATOM 1563 O O    . PRO Axp A 100 ? 1.477   -5.416  33.404  1 28.638 ? 139 A 1 .
ATOM 1564 C CB   . PRO Axp A 100 ? 3.611   -6.989  35.39   1 30.386 ? 139 A 1 .
ATOM 1565 C CG   . PRO Axp A 100 ? 4.196   -8.372  35.228  1 30.219 ? 139 A 1 .
ATOM 1566 C CD   . PRO Axp A 100 ? 3.782   -8.756  33.845  1 30.899 ? 139 A 1 .
ATOM 1567 H HA   . PRO Axp A 100 ? 1.646   -7.635  35.519  1 30.018 ? 139 A 1 c
ATOM 1568 H HB3  . PRO Axp A 100 ? 3.585   -6.72   36.329  1 30.217 ? 139 A 1 c
ATOM 1569 H HB2  . PRO Axp A 100 ? 4.101   -6.329  34.862  1 30.248 ? 139 A 1 c
ATOM 1570 H HG3  . PRO Axp A 100 ? 3.827   -8.993  35.888  1 30.413 ? 139 A 1 c
ATOM 1571 H HG2  . PRO Axp A 100 ? 5.17    -8.357  35.31   1 30.42  ? 139 A 1 c
ATOM 1572 H HD3  . PRO Axp A 100 ? 4.382   -8.379  33.173  1 30.899 ? 139 A 1 c
ATOM 1573 H HD2  . PRO Axp A 100 ? 3.742   -9.726  33.74   1 30.926 ? 139 A 1 c
ATOM 1574 N N    . LEU Axp A 101 ? 1.543   -5.082  35.63   1 25.963 ? 140 A 1 .
ATOM 1575 C CA   . LEU Axp A 101 ? 1.278   -3.664  35.595  1 25.607 ? 140 A 1 .
ATOM 1576 C C    . LEU Axp A 101 ? 2.152   -3.073  36.681  1 23.864 ? 140 A 1 .
ATOM 1577 O O    . LEU Axp A 101 ? 2.295   -3.705  37.722  1 23.821 ? 140 A 1 .
ATOM 1578 C CB   . LEU Axp A 101 ? -0.187  -3.336  35.868  1 27.006 ? 140 A 1 .
ATOM 1579 C CG   . LEU Axp A 101 ? -1.103  -3.21   34.653  1 27.775 ? 140 A 1 .
ATOM 1580 C CD1  . LEU Axp A 101 ? -2.546  -3.479  35.088  1 28.48  ? 140 A 1 .
ATOM 1581 C CD2  . LEU Axp A 101 ? -0.954  -1.826  34.037  1 27.701 ? 140 A 1 .
ATOM 1582 H H    . LEU Axp A 101 ? 1.6     -5.491  36.445  1 26.479 ? 140 A 1 c
ATOM 1583 H HA   . LEU Axp A 101 ? 1.539   -3.31   34.713  1 25.511 ? 140 A 1 c
ATOM 1584 H HB3  . LEU Axp A 101 ? -0.223  -2.489  36.37   1 26.838 ? 140 A 1 c
ATOM 1585 H HB2  . LEU Axp A 101 ? -0.551  -4.036  36.458  1 26.852 ? 140 A 1 c
ATOM 1586 H HG   . LEU Axp A 101 ? -0.837  -3.891  33.982  1 27.745 ? 140 A 1 c
ATOM 1587 H HD11 . LEU Axp A 101 ? -2.66   -4.427  35.268  1 28.241 ? 140 A 1 c
ATOM 1588 H HD12 . LEU Axp A 101 ? -3.155  -3.209  34.38   1 28.241 ? 140 A 1 c
ATOM 1589 H HD13 . LEU Axp A 101 ? -2.742  -2.971  35.893  1 28.141 ? 140 A 1 c
ATOM 1590 H HD21 . LEU Axp A 101 ? -0.045  -1.508  34.165  1 27.552 ? 140 A 1 c
ATOM 1591 H HD22 . LEU Axp A 101 ? -1.574  -1.211  34.465  1 27.664 ? 140 A 1 c
ATOM 1592 H HD23 . LEU Axp A 101 ? -1.149  -1.871  33.086  1 27.567 ? 140 A 1 c
ATOM 1593 N N    . PRO Axp A 102 ? 2.785   -1.903  36.445  1 22.576 ? 141 A 1 .
ATOM 1594 C CA   . PRO Axp A 102 ? 2.926   -1.357  35.105  1 22.288 ? 141 A 1 .
ATOM 1595 C C    . PRO Axp A 102 ? 3.702   -2.272  34.171  1 20.284 ? 141 A 1 .
ATOM 1596 O O    . PRO Axp A 102 ? 4.226   -3.314  34.585  1 19.919 ? 141 A 1 .
ATOM 1597 C CB   . PRO Axp A 102 ? 3.665   -0.029  35.297  1 22.548 ? 141 A 1 .
ATOM 1598 C CG   . PRO Axp A 102 ? 4.324   -0.22   36.634  1 23.307 ? 141 A 1 .
ATOM 1599 C CD   . PRO Axp A 102 ? 3.349   -1.003  37.451  1 22.75  ? 141 A 1 .
ATOM 1600 H HA   . PRO Axp A 102 ? 2.041   -1.182  34.733  1 22.013 ? 141 A 1 c
ATOM 1601 H HB3  . PRO Axp A 102 ? 3.041   0.723   35.314  1 22.652 ? 141 A 1 c
ATOM 1602 H HB2  . PRO Axp A 102 ? 4.329   0.114   34.593  1 22.619 ? 141 A 1 c
ATOM 1603 H HG3  . PRO Axp A 102 ? 4.509   0.642   37.057  1 23.005 ? 141 A 1 c
ATOM 1604 H HG2  . PRO Axp A 102 ? 5.164   -0.712  36.54   1 23.005 ? 141 A 1 c
ATOM 1605 H HD3  . PRO Axp A 102 ? 3.793   -1.506  38.161  1 22.807 ? 141 A 1 c
ATOM 1606 H HD2  . PRO Axp A 102 ? 2.658   -0.43   37.837  1 22.829 ? 141 A 1 c
ATOM 1607 N N    . THR Axp A 103 ? 3.688   -1.875  32.899  1 18.09  ? 142 A 1 .
ATOM 1608 C CA   . THR Axp A 103 ? 4.667   -2.346  31.954  1 18.281 ? 142 A 1 .
ATOM 1609 C C    . THR Axp A 103 ? 5.021   -1.17   31.059  1 17.848 ? 142 A 1 .
ATOM 1610 O O    . THR Axp A 103 ? 4.154   -0.426  30.607  1 17.967 ? 142 A 1 .
ATOM 1611 C CB   . THR Axp A 103 ? 4.177   -3.55   31.152  1 19.878 ? 142 A 1 .
ATOM 1612 O OG1  . THR Axp A 103 ? 3.77    -4.576  32.054  1 21.369 ? 142 A 1 .
ATOM 1613 C CG2  . THR Axp A 103 ? 5.283   -4.143  30.298  1 20.336 ? 142 A 1 .
ATOM 1614 H H    . THR Axp A 103 ? 3.041   -1.295  32.614  1 18.676 ? 142 A 1 c
ATOM 1615 H HA   . THR Axp A 103 ? 5.47    -2.614  32.452  1 18.456 ? 142 A 1 c
ATOM 1616 H HB   . THR Axp A 103 ? 3.416   -3.29   30.58   1 19.942 ? 142 A 1 c
ATOM 1617 H HG1  . THR Axp A 103 ? 4.328   -4.805  32.512  0 15.53  ? 142 A 1 c
ATOM 1618 H HG21 . THR Axp A 103 ? 4.995   -5.002  29.946  1 20.198 ? 142 A 1 c
ATOM 1619 H HG22 . THR Axp A 103 ? 6.08    -4.266  30.839  1 20.2   ? 142 A 1 c
ATOM 1620 H HG23 . THR Axp A 103 ? 5.482   -3.543  29.56   1 20.189 ? 142 A 1 c
ATOM 1621 N N    . THR Axp A 104 ? 6.326   -1.027  30.827  1 17.297 ? 143 A 1 .
ATOM 1622 C CA   . THR Axp A 104 ? 6.846   -0.003  29.954  1 16.168 ? 143 A 1 .
ATOM 1623 C C    . THR Axp A 104 ? 7.396   -0.679  28.714  1 16.015 ? 143 A 1 .
ATOM 1624 O O    . THR Axp A 104 ? 8.112   -1.673  28.808  1 16.271 ? 143 A 1 .
ATOM 1625 C CB   . THR Axp A 104 ? 7.936   0.803   30.639  1 16.172 ? 143 A 1 .
ATOM 1626 O OG1  . THR Axp A 104 ? 7.546   1.041   31.983  1 17.42  ? 143 A 1 .
ATOM 1627 C CG2  . THR Axp A 104 ? 8.104   2.135   29.954  1 16.634 ? 143 A 1 .
ATOM 1628 H H    . THR Axp A 104 ? 6.916   -1.595  31.232  1 17.18  ? 143 A 1 c
ATOM 1629 H HA   . THR Axp A 104 ? 6.117   0.6     29.702  1 16.345 ? 143 A 1 c
ATOM 1630 H HB   . THR Axp A 104 ? 8.789   0.308   30.624  1 16.524 ? 143 A 1 c
ATOM 1631 H HG1  . THR Axp A 104 ? 6.821   1.493   31.995  0 9.93   ? 143 A 1 c
ATOM 1632 H HG21 . THR Axp A 104 ? 9.013   2.453   30.084  1 16.472 ? 143 A 1 c
ATOM 1633 H HG22 . THR Axp A 104 ? 7.48    2.776   30.333  1 16.478 ? 143 A 1 c
ATOM 1634 H HG23 . THR Axp A 104 ? 7.93    2.039   29.003  1 16.48  ? 143 A 1 c
ATOM 1635 N N    . PHE Axp A 105 ? 7.026   -0.113  27.562  1 15.888 ? 144 A 1 .
ATOM 1636 C CA   . PHE Axp A 105 ? 7.663   -0.401  26.293  1 14.521 ? 144 A 1 .
ATOM 1637 C C    . PHE Axp A 105 ? 8.527   0.786   25.896  1 13.743 ? 144 A 1 .
ATOM 1638 O O    . PHE Axp A 105 ? 8.058   1.92    25.845  1 12.171 ? 144 A 1 .
ATOM 1639 C CB   . PHE Axp A 105 ? 6.59    -0.652  25.24   1 14.293 ? 144 A 1 .
ATOM 1640 C CG   . PHE Axp A 105 ? 5.715   -1.849  25.564  1 13.901 ? 144 A 1 .
ATOM 1641 C CD1  . PHE Axp A 105 ? 4.657   -1.718  26.443  1 13.831 ? 144 A 1 .
ATOM 1642 C CD2  . PHE Axp A 105 ? 5.97    -3.091  24.99   1 13.572 ? 144 A 1 .
ATOM 1643 C CE1  . PHE Axp A 105 ? 3.873   -2.812  26.735  1 14.373 ? 144 A 1 .
ATOM 1644 C CE2  . PHE Axp A 105 ? 5.191   -4.182  25.295  1 13.541 ? 144 A 1 .
ATOM 1645 C CZ   . PHE Axp A 105 ? 4.135   -4.036  26.154  1 14.3   ? 144 A 1 .
ATOM 1646 H H    . PHE Axp A 105 ? 6.333   0.483   27.57   1 15.596 ? 144 A 1 c
ATOM 1647 H HA   . PHE Axp A 105 ? 8.23    -1.211  26.384  1 14.597 ? 144 A 1 c
ATOM 1648 H HB3  . PHE Axp A 105 ? 7.028   -0.8    24.372  1 14.248 ? 144 A 1 c
ATOM 1649 H HB2  . PHE Axp A 105 ? 6.025   0.147   25.167  1 14.244 ? 144 A 1 c
ATOM 1650 H HD1  . PHE Axp A 105 ? 4.472   -0.881  26.839  1 13.976 ? 144 A 1 c
ATOM 1651 H HD2  . PHE Axp A 105 ? 6.695   -3.187  24.394  1 13.736 ? 144 A 1 c
ATOM 1652 H HE1  . PHE Axp A 105 ? 3.152   -2.72   27.331  1 14.598 ? 144 A 1 c
ATOM 1653 H HE2  . PHE Axp A 105 ? 5.367   -5.018  24.895  1 13.733 ? 144 A 1 c
ATOM 1654 H HZ   . PHE Axp A 105 ? 3.595   -4.781  26.364  1 14.255 ? 144 A 1 c
ATOM 1655 N N    . LEU Axp A 106 ? 9.792   0.491   25.607  1 14.052 ? 145 A 1 .
ATOM 1656 C CA   . LEU Axp A 106 ? 10.687  1.498   25.083  1 14.372 ? 145 A 1 .
ATOM 1657 C C    . LEU Axp A 106 ? 10.653  1.427   23.574  1 14.668 ? 145 A 1 .
ATOM 1658 O O    . LEU Axp A 106 ? 11.059  0.423   22.997  1 14.494 ? 145 A 1 .
ATOM 1659 C CB   . LEU Axp A 106 ? 12.085  1.224   25.599  1 14.342 ? 145 A 1 .
ATOM 1660 C CG   . LEU Axp A 106 ? 12.203  1.138   27.115  1 14.296 ? 145 A 1 .
ATOM 1661 C CD1  . LEU Axp A 106 ? 13.669  0.862   27.351  1 14.557 ? 145 A 1 .
ATOM 1662 C CD2  . LEU Axp A 106 ? 11.716  2.405   27.8    1 14.146 ? 145 A 1 .
ATOM 1663 H H    . LEU Axp A 106 ? 10.107  -0.357  25.739  1 14.059 ? 145 A 1 c
ATOM 1664 H HA   . LEU Axp A 106 ? 10.387  2.393   25.385  1 14.355 ? 145 A 1 c
ATOM 1665 H HB3  . LEU Axp A 106 ? 12.677  1.943   25.279  1 14.354 ? 145 A 1 c
ATOM 1666 H HB2  . LEU Axp A 106 ? 12.394  0.373   25.212  1 14.346 ? 145 A 1 c
ATOM 1667 H HG   . LEU Axp A 106 ? 11.671  0.365   27.437  1 14.324 ? 145 A 1 c
ATOM 1668 H HD11 . LEU Axp A 106 ? 14.1    0.619   26.515  1 14.529 ? 145 A 1 c
ATOM 1669 H HD12 . LEU Axp A 106 ? 13.763  0.132   27.986  1 14.52  ? 145 A 1 c
ATOM 1670 H HD13 . LEU Axp A 106 ? 14.095  1.658   27.712  1 14.498 ? 145 A 1 c
ATOM 1671 H HD21 . LEU Axp A 106 ? 10.744  2.416   27.812  1 14.193 ? 145 A 1 c
ATOM 1672 H HD22 . LEU Axp A 106 ? 12.041  3.183   27.315  1 14.192 ? 145 A 1 c
ATOM 1673 H HD23 . LEU Axp A 106 ? 12.051  2.431   28.712  1 14.197 ? 145 A 1 c
ATOM 1674 N N    . ILE Axp A 107 ? 10.163  2.5     22.953  1 15.735 ? 146 A 1 .
ATOM 1675 C CA   . ILE Axp A 107 ? 10.068  2.528   21.504  1 16.552 ? 146 A 1 .
ATOM 1676 C C    . ILE Axp A 107 ? 11.055  3.558   20.952  1 16.92  ? 146 A 1 .
ATOM 1677 O O    . ILE Axp A 107 ? 11.068  4.715   21.365  1 16.533 ? 146 A 1 .
ATOM 1678 C CB   . ILE Axp A 107 ? 8.621   2.789   21.063  1 16.077 ? 146 A 1 .
ATOM 1679 C CG1  . ILE Axp A 107 ? 7.664   1.756   21.635  1 15.265 ? 146 A 1 .
ATOM 1680 C CG2  . ILE Axp A 107 ? 8.558   2.832   19.539  1 16.776 ? 146 A 1 .
ATOM 1681 C CD1  . ILE Axp A 107 ? 6.247   2.261   21.727  1 15.116 ? 146 A 1 .
ATOM 1682 H H    . ILE Axp A 107 ? 9.883   3.225   23.434  1 15.63  ? 146 A 1 c
ATOM 1683 H HA   . ILE Axp A 107 ? 10.325  1.651   21.168  1 16.391 ? 146 A 1 c
ATOM 1684 H HB   . ILE Axp A 107 ? 8.357   3.665   21.403  1 16.094 ? 146 A 1 c
ATOM 1685 H HG12 . ILE Axp A 107 ? 7.966   1.497   22.529  1 15.417 ? 146 A 1 c
ATOM 1686 H HG13 . ILE Axp A 107 ? 7.681   0.958   21.068  1 15.419 ? 146 A 1 c
ATOM 1687 H HG21 . ILE Axp A 107 ? 7.661   2.603   19.243  1 16.551 ? 146 A 1 c
ATOM 1688 H HG22 . ILE Axp A 107 ? 9.191   2.196   19.167  1 16.594 ? 146 A 1 c
ATOM 1689 H HG23 . ILE Axp A 107 ? 8.78    3.726   19.229  1 16.571 ? 146 A 1 c
ATOM 1690 H HD11 . ILE Axp A 107 ? 6.22    3.056   22.292  1 15.168 ? 146 A 1 c
ATOM 1691 H HD12 . ILE Axp A 107 ? 5.679   1.569   22.114  1 15.164 ? 146 A 1 c
ATOM 1692 H HD13 . ILE Axp A 107 ? 5.921   2.486   20.835  1 15.171 ? 146 A 1 c
ATOM 1693 N N    . ASN Axp A 108 ? 11.882  3.122   20.001  1 17.318 ? 147 A 1 .
ATOM 1694 C CA   . ASN Axp A 108 ? 12.893  3.995   19.433  1 18.08  ? 147 A 1 .
ATOM 1695 C C    . ASN Axp A 108 ? 12.238  4.918   18.405  1 19.21  ? 147 A 1 .
ATOM 1696 O O    . ASN Axp A 108 ? 11.06   4.74    18.075  1 19.179 ? 147 A 1 .
ATOM 1697 C CB   . ASN Axp A 108 ? 14.054  3.187   18.87   1 18.331 ? 147 A 1 .
ATOM 1698 C CG   . ASN Axp A 108 ? 13.664  2.394   17.653  1 18.947 ? 147 A 1 .
ATOM 1699 O OD1  . ASN Axp A 108 ? 12.657  2.683   16.996  1 20.069 ? 147 A 1 .
ATOM 1700 N ND2  . ASN Axp A 108 ? 14.473  1.401   17.331  1 20.079 ? 147 A 1 .
ATOM 1701 H H    . ASN Axp A 108 ? 11.815  2.262   19.698  1 17.389 ? 147 A 1 c
ATOM 1702 H HA   . ASN Axp A 108 ? 13.253  4.551   20.16   1 18.178 ? 147 A 1 c
ATOM 1703 H HB3  . ASN Axp A 108 ? 14.378  2.573   19.559  1 18.418 ? 147 A 1 c
ATOM 1704 H HB2  . ASN Axp A 108 ? 14.787  3.789   18.638  1 18.433 ? 147 A 1 c
ATOM 1705 H HD21 . ASN Axp A 108 ? 14.136  0.617   17.091  1 19.721 ? 147 A 1 c
ATOM 1706 H HD22 . ASN Axp A 108 ? 15.351  1.521   17.355  1 19.714 ? 147 A 1 c
ATOM 1707 N N    . PRO Axp A 109 ? 12.974  5.937   17.884  1 20.11  ? 148 A 1 .
ATOM 1708 C CA   . PRO Axp A 109 ? 12.455  6.867   16.879  1 20.545 ? 148 A 1 .
ATOM 1709 C C    . PRO Axp A 109 ? 11.917  6.242   15.593  1 21.653 ? 148 A 1 .
ATOM 1710 O O    . PRO Axp A 109 ? 11.146  6.891   14.901  1 21.306 ? 148 A 1 .
ATOM 1711 C CB   . PRO Axp A 109 ? 13.65   7.761   16.585  1 19.697 ? 148 A 1 .
ATOM 1712 C CG   . PRO Axp A 109 ? 14.403  7.745   17.906  1 19.824 ? 148 A 1 .
ATOM 1713 C CD   . PRO Axp A 109 ? 14.331  6.314   18.309  1 19.839 ? 148 A 1 .
ATOM 1714 H HA   . PRO Axp A 109 ? 11.749  7.408   17.286  1 20.458 ? 148 A 1 c
ATOM 1715 H HB3  . PRO Axp A 109 ? 13.364  8.666   16.352  1 19.889 ? 148 A 1 c
ATOM 1716 H HB2  . PRO Axp A 109 ? 14.196  7.395   15.863  1 19.918 ? 148 A 1 c
ATOM 1717 H HG3  . PRO Axp A 109 ? 13.97   8.319   18.569  1 19.799 ? 148 A 1 c
ATOM 1718 H HG2  . PRO Axp A 109 ? 15.331  8.031   17.789  1 19.799 ? 148 A 1 c
ATOM 1719 H HD3  . PRO Axp A 109 ? 15.004  5.779   17.844  1 19.878 ? 148 A 1 c
ATOM 1720 H HD2  . PRO Axp A 109 ? 14.44   6.209   19.273  1 19.856 ? 148 A 1 c
ATOM 1721 N N    . GLU Axp A 110 ? 12.341  5.01    15.272  1 23.027 ? 149 A 1 .
ATOM 1722 C CA   . GLU Axp A 110 ? 11.904  4.297   14.08   1 23.616 ? 149 A 1 .
ATOM 1723 C C    . GLU Axp A 110 ? 10.531  3.7     14.349  1 23.765 ? 149 A 1 .
ATOM 1724 O O    . GLU Axp A 110 ? 9.758   3.478   13.432  1 24.734 ? 149 A 1 .
ATOM 1725 C CB   . GLU Axp A 110 ? 12.861  3.17    13.679  1 25.583 ? 149 A 1 .
ATOM 1726 C CG   . GLU Axp A 110 ? 14.249  3.624   13.222  1 28.987 ? 149 A 1 .
ATOM 1727 C CD   . GLU Axp A 110 ? 15.015  4.598   14.124  1 33.588 ? 149 A 1 .
ATOM 1728 O OE1  . GLU Axp A 110 ? 15.013  4.379   15.361  1 38.286 ? 149 A 1 .
ATOM 1729 O OE2  . GLU Axp A 110 ? 15.619  5.582   13.619  1 34.261 ? 149 A 1 .
ATOM 1730 H H    . GLU Axp A 110 ? 12.935  4.593   15.827  1 22.844 ? 149 A 1 c
ATOM 1731 H HA   . GLU Axp A 110 ? 11.833  4.944   13.333  1 23.845 ? 149 A 1 c
ATOM 1732 H HB3  . GLU Axp A 110 ? 12.451  2.659   12.951  1 25.831 ? 149 A 1 c
ATOM 1733 H HB2  . GLU Axp A 110 ? 12.968  2.565   14.441  1 25.811 ? 149 A 1 c
ATOM 1734 H HG3  . GLU Axp A 110 ? 14.161  4.04    12.339  1 29.141 ? 149 A 1 c
ATOM 1735 H HG2  . GLU Axp A 110 ? 14.808  2.827   13.101  1 29.141 ? 149 A 1 c
ATOM 1736 N N    . GLY Axp A 111 ? 10.229  3.425   15.617  1 24.284 ? 150 A 1 .
ATOM 1737 C CA   . GLY Axp A 111 ? 8.907   2.945   15.991  1 25.061 ? 150 A 1 .
ATOM 1738 C C    . GLY Axp A 111 ? 8.876   1.449   16.323  1 25.889 ? 150 A 1 .
ATOM 1739 O O    . GLY Axp A 111 ? 7.81    0.823   16.29   1 25.337 ? 150 A 1 .
ATOM 1740 H H    . GLY Axp A 111 ? 10.858  3.54    16.27   1 24.294 ? 150 A 1 c
ATOM 1741 H HA3  . GLY Axp A 111 ? 8.278   3.126   15.254  1 25.036 ? 150 A 1 c
ATOM 1742 H HA2  . GLY Axp A 111 ? 8.598   3.455   16.776  1 25.005 ? 150 A 1 c
ATOM 1743 N N    . LYS Axp A 112 ? 10.053  0.9     16.651  1 26.612 ? 151 A 1 .
ATOM 1744 C CA   . LYS Axp A 112 ? 10.201  -0.489  17.033  1 26.41  ? 151 A 1 .
ATOM 1745 C C    . LYS Axp A 112 ? 10.427  -0.536  18.538  1 25.117 ? 151 A 1 .
ATOM 1746 O O    . LYS Axp A 112 ? 11.028  0.373   19.126  1 23.127 ? 151 A 1 .
ATOM 1747 C CB   . LYS Axp A 112 ? 11.436  -1.159  16.425  1 29.667 ? 151 A 1 .
ATOM 1748 C CG   . LYS Axp A 112 ? 11.813  -0.748  15.015  1 34.593 ? 151 A 1 .
ATOM 1749 C CD   . LYS Axp A 112 ? 11.274  -1.67   13.928  1 39.752 ? 151 A 1 .
ATOM 1750 C CE   . LYS Axp A 112 ? 11.356  -1.095  12.532  1 40.598 ? 151 A 1 .
ATOM 1751 N NZ   . LYS Axp A 112 ? 10.386  -1.746  11.644  1 41.207 ? 151 A 1 .
ATOM 1752 H H    . LYS Axp A 112 ? 10.801  1.424   16.646  1 26.438 ? 151 A 1 c
ATOM 1753 H HA   . LYS Axp A 112 ? 9.377   -0.987  16.798  1 26.698 ? 151 A 1 c
ATOM 1754 H HB3  . LYS Axp A 112 ? 11.289  -2.129  16.43   1 29.961 ? 151 A 1 c
ATOM 1755 H HB2  . LYS Axp A 112 ? 12.204  -0.977  17.008  1 29.91  ? 151 A 1 c
ATOM 1756 H HG3  . LYS Axp A 112 ? 12.793  -0.723  14.951  1 34.451 ? 151 A 1 c
ATOM 1757 H HG2  . LYS Axp A 112 ? 11.483  0.161   14.852  1 34.387 ? 151 A 1 c
ATOM 1758 H HD3  . LYS Axp A 112 ? 10.338  -1.879  14.132  1 38.773 ? 151 A 1 c
ATOM 1759 H HD2  . LYS Axp A 112 ? 11.777  -2.513  13.953  1 38.713 ? 151 A 1 c
ATOM 1760 H HE3  . LYS Axp A 112 ? 12.253  -1.225  12.175  1 40.539 ? 151 A 1 c
ATOM 1761 H HE2  . LYS Axp A 112 ? 11.173  -0.138  12.557  1 40.503 ? 151 A 1 c
ATOM 1762 H HZ1  . LYS Axp A 112 ? 9.581   -1.339  11.72   1 41.022 ? 151 A 1 c
ATOM 1763 H HZ2  . LYS Axp A 112 ? 10.3    -2.621  11.864  1 40.997 ? 151 A 1 c
ATOM 1764 H HZ3  . LYS Axp A 112 ? 10.669  -1.683  10.785  1 41.015 ? 151 A 1 c
ATOM 1765 N N    . VAL Axp A 113 ? 9.957   -1.639  19.134  1 23.297 ? 152 A 1 .
ATOM 1766 C CA   . VAL Axp A 113 ? 10.139  -1.902  20.552  1 20.751 ? 152 A 1 .
ATOM 1767 C C    . VAL Axp A 113 ? 11.551  -2.437  20.755  1 19.706 ? 152 A 1 .
ATOM 1768 O O    . VAL Axp A 113 ? 11.885  -3.472  20.202  1 19.539 ? 152 A 1 .
ATOM 1769 C CB   . VAL Axp A 113 ? 9.081   -2.897  21.07   1 18.942 ? 152 A 1 .
ATOM 1770 C CG1  . VAL Axp A 113 ? 9.342   -3.294  22.526  1 18.566 ? 152 A 1 .
ATOM 1771 C CG2  . VAL Axp A 113 ? 7.66    -2.367  20.866  1 17.957 ? 152 A 1 .
ATOM 1772 H H    . VAL Axp A 113 ? 9.506   -2.255  18.632  1 23.085 ? 152 A 1 c
ATOM 1773 H HA   . VAL Axp A 113 ? 10.043  -1.062  21.04   1 20.655 ? 152 A 1 c
ATOM 1774 H HB   . VAL Axp A 113 ? 9.168   -3.715  20.525  1 19.004 ? 152 A 1 c
ATOM 1775 H HG11 . VAL Axp A 113 ? 9.689   -2.529  23.015  1 18.681 ? 152 A 1 c
ATOM 1776 H HG12 . VAL Axp A 113 ? 9.991   -4.017  22.555  1 18.673 ? 152 A 1 c
ATOM 1777 H HG13 . VAL Axp A 113 ? 8.512   -3.59   22.937  1 18.633 ? 152 A 1 c
ATOM 1778 H HG21 . VAL Axp A 113 ? 7.023   -2.986  21.26   1 18.258 ? 152 A 1 c
ATOM 1779 H HG22 . VAL Axp A 113 ? 7.479   -2.28   19.915  1 18.305 ? 152 A 1 c
ATOM 1780 H HG23 . VAL Axp A 113 ? 7.574   -1.498  21.293  1 18.256 ? 152 A 1 c
ATOM 1781 N N    . VAL Axp A 114 ? 12.37   -1.714  21.528  1 19.193 ? 153 A 1 .
ATOM 1782 C CA   . VAL Axp A 114 ? 13.749  -2.112  21.784  1 18.208 ? 153 A 1 .
ATOM 1783 C C    . VAL Axp A 114 ? 13.895  -2.803  23.143  1 19.06  ? 153 A 1 .
ATOM 1784 O O    . VAL Axp A 114 ? 14.962  -3.315  23.426  1 20.076 ? 153 A 1 .
ATOM 1785 C CB   . VAL Axp A 114 ? 14.733  -0.928  21.683  1 16.851 ? 153 A 1 .
ATOM 1786 C CG1  . VAL Axp A 114 ? 14.719  -0.318  20.291  1 17.021 ? 153 A 1 .
ATOM 1787 C CG2  . VAL Axp A 114 ? 14.495  0.145   22.736  1 16.175 ? 153 A 1 .
ATOM 1788 H H    . VAL Axp A 114 ? 12.057  -0.947  21.913  1 19.073 ? 153 A 1 c
ATOM 1789 H HA   . VAL Axp A 114 ? 14.002  -2.759  21.097  1 18.304 ? 153 A 1 c
ATOM 1790 H HB   . VAL Axp A 114 ? 15.637  -1.293  21.834  1 17.01  ? 153 A 1 c
ATOM 1791 H HG11 . VAL Axp A 114 ? 13.858  0.101   20.128  1 16.982 ? 153 A 1 c
ATOM 1792 H HG12 . VAL Axp A 114 ? 14.87   -1.015  19.629  1 16.973 ? 153 A 1 c
ATOM 1793 H HG13 . VAL Axp A 114 ? 15.422  0.349   20.221  1 16.973 ? 153 A 1 c
ATOM 1794 H HG21 . VAL Axp A 114 ? 15.22   0.792   22.708  1 16.377 ? 153 A 1 c
ATOM 1795 H HG22 . VAL Axp A 114 ? 14.461  -0.262  23.617  1 16.387 ? 153 A 1 c
ATOM 1796 H HG23 . VAL Axp A 114 ? 13.654  0.596   22.555  1 16.382 ? 153 A 1 c
ATOM 1797 N N    . LYS Axp A 115 ? 12.854  -2.829  23.99   1 19.848 ? 154 A 1 .
ATOM 1798 C CA   . LYS Axp A 115 ? 12.967  -3.313  25.361  1 19.216 ? 154 A 1 .
ATOM 1799 C C    . LYS Axp A 115 ? 11.602  -3.255  26.045  1 19.511 ? 154 A 1 .
ATOM 1800 O O    . LYS Axp A 115 ? 10.934  -2.225  26.041  1 18.273 ? 154 A 1 .
ATOM 1801 C CB   . LYS Axp A 115 ? 13.887  -2.423  26.198  1 19.521 ? 154 A 1 .
ATOM 1802 C CG   . LYS Axp A 115 ? 14.34   -2.956  27.536  1 20.95  ? 154 A 1 .
ATOM 1803 C CD   . LYS Axp A 115 ? 15.672  -3.699  27.44   1 23.78  ? 154 A 1 .
ATOM 1804 C CE   . LYS Axp A 115 ? 16.054  -4.498  28.642  1 25.906 ? 154 A 1 .
ATOM 1805 N NZ   . LYS Axp A 115 ? 15.881  -3.621  29.806  1 27.234 ? 154 A 1 .
ATOM 1806 H H    . LYS Axp A 115 ? 12.04   -2.534  23.699  1 19.508 ? 154 A 1 c
ATOM 1807 H HA   . LYS Axp A 115 ? 13.3    -4.247  25.349  1 19.458 ? 154 A 1 c
ATOM 1808 H HB3  . LYS Axp A 115 ? 13.424  -1.574  26.354  1 19.654 ? 154 A 1 c
ATOM 1809 H HB2  . LYS Axp A 115 ? 14.687  -2.222  25.669  1 19.769 ? 154 A 1 c
ATOM 1810 H HG3  . LYS Axp A 115 ? 13.654  -3.565  27.887  1 21.221 ? 154 A 1 c
ATOM 1811 H HG2  . LYS Axp A 115 ? 14.432  -2.204  28.161  1 21.301 ? 154 A 1 c
ATOM 1812 H HD3  . LYS Axp A 115 ? 16.38   -3.043  27.262  1 23.591 ? 154 A 1 c
ATOM 1813 H HD2  . LYS Axp A 115 ? 15.634  -4.3    26.664  1 23.576 ? 154 A 1 c
ATOM 1814 H HE3  . LYS Axp A 115 ? 16.983  -4.785  28.581  1 25.706 ? 154 A 1 c
ATOM 1815 H HE2  . LYS Axp A 115 ? 15.481  -5.28   28.73   1 25.706 ? 154 A 1 c
ATOM 1816 H HZ1  . LYS Axp A 115 ? 15.005  -3.575  30.036  1 26.715 ? 154 A 1 c
ATOM 1817 H HZ2  . LYS Axp A 115 ? 16.19   -2.789  29.626  1 26.684 ? 154 A 1 c
ATOM 1818 H HZ3  . LYS Axp A 115 ? 16.347  -3.959  30.506  1 26.773 ? 154 A 1 c
ATOM 1819 N N    . VAL Axp A 116 ? 11.192  -4.372  26.646  1 20.17  ? 155 A 1 .
ATOM 1820 C CA   . VAL Axp A 116 ? 9.995   -4.393  27.465  1 21.076 ? 155 A 1 .
ATOM 1821 C C    . VAL Axp A 116 ? 10.422  -4.445  28.922  1 21.563 ? 155 A 1 .
ATOM 1822 O O    . VAL Axp A 116 ? 11.15   -5.342  29.32   1 22.551 ? 155 A 1 .
ATOM 1823 C CB   . VAL Axp A 116 ? 9.061   -5.566  27.132  1 21.581 ? 155 A 1 .
ATOM 1824 C CG1  . VAL Axp A 116 ? 7.892   -5.671  28.11   1 20.797 ? 155 A 1 .
ATOM 1825 C CG2  . VAL Axp A 116 ? 8.579   -5.453  25.69   1 22.185 ? 155 A 1 .
ATOM 1826 H H    . VAL Axp A 116 ? 11.67   -5.144  26.542  1 20.197 ? 155 A 1 c
ATOM 1827 H HA   . VAL Axp A 116 ? 9.505   -3.562  27.316  1 21.065 ? 155 A 1 c
ATOM 1828 H HB   . VAL Axp A 116 ? 9.593   -6.393  27.208  1 21.449 ? 155 A 1 c
ATOM 1829 H HG11 . VAL Axp A 116 ? 7.598   -4.779  28.362  1 21.031 ? 155 A 1 c
ATOM 1830 H HG12 . VAL Axp A 116 ? 8.175   -6.154  28.905  1 21.031 ? 155 A 1 c
ATOM 1831 H HG13 . VAL Axp A 116 ? 7.156   -6.146  27.69   1 21.039 ? 155 A 1 c
ATOM 1832 H HG21 . VAL Axp A 116 ? 7.832   -6.058  25.546  1 21.958 ? 155 A 1 c
ATOM 1833 H HG22 . VAL Axp A 116 ? 9.304   -5.687  25.086  1 21.969 ? 155 A 1 c
ATOM 1834 H HG23 . VAL Axp A 116 ? 8.294   -4.541  25.513  1 21.865 ? 155 A 1 c
ATOM 1835 N N    . VAL Axp A 117 ? 9.935   -3.486  29.707  1 22.123 ? 156 A 1 .
ATOM 1836 C CA   . VAL Axp A 117 ? 10.368  -3.34   31.084  1 22.424 ? 156 A 1 .
ATOM 1837 C C    . VAL Axp A 117 ? 9.157   -3.539  31.984  1 23.215 ? 156 A 1 .
ATOM 1838 O O    . VAL Axp A 117 ? 8.12    -2.917  31.812  1 23.127 ? 156 A 1 .
ATOM 1839 C CB   . VAL Axp A 117 ? 11.083  -2.008  31.382  1 22.84  ? 156 A 1 .
ATOM 1840 C CG1  . VAL Axp A 117 ? 11.649  -1.992  32.798  1 22.407 ? 156 A 1 .
ATOM 1841 C CG2  . VAL Axp A 117 ? 12.193  -1.738  30.375  1 23.215 ? 156 A 1 .
ATOM 1842 H H    . VAL Axp A 117 ? 9.311   -2.905  29.378  1 22.04  ? 156 A 1 c
ATOM 1843 H HA   . VAL Axp A 117 ? 11.001  -4.059  31.273  1 22.616 ? 156 A 1 c
ATOM 1844 H HB   . VAL Axp A 117 ? 10.412  -1.289  31.307  1 22.704 ? 156 A 1 c
ATOM 1845 H HG11 . VAL Axp A 117 ? 12.134  -2.818  32.964  1 22.516 ? 156 A 1 c
ATOM 1846 H HG12 . VAL Axp A 117 ? 10.923  -1.909  33.439  1 22.518 ? 156 A 1 c
ATOM 1847 H HG13 . VAL Axp A 117 ? 12.253  -1.238  32.898  1 22.454 ? 156 A 1 c
ATOM 1848 H HG21 . VAL Axp A 117 ? 12.705  -0.96   30.655  1 23.098 ? 156 A 1 c
ATOM 1849 H HG22 . VAL Axp A 117 ? 11.805  -1.57   29.5    1 23.098 ? 156 A 1 c
ATOM 1850 H HG23 . VAL Axp A 117 ? 12.781  -2.51   30.324  1 23.102 ? 156 A 1 c
ATOM 1851 N N    . THR Axp A 118 ? 9.333   -4.429  32.953  1 25.622 ? 157 A 1 .
ATOM 1852 C CA   . THR Axp A 118 ? 8.246   -5.041  33.694  1 26.826 ? 157 A 1 .
ATOM 1853 C C    . THR Axp A 118 ? 8.723   -5.105  35.146  1 26.981 ? 157 A 1 .
ATOM 1854 O O    . THR Axp A 118 ? 9.898   -5.311  35.407  1 27.419 ? 157 A 1 .
ATOM 1855 C CB   . THR Axp A 118 ? 7.911   -6.384  33.015  1 28.129 ? 157 A 1 .
ATOM 1856 O OG1  . THR Axp A 118 ? 7.061   -7.135  33.862  1 32.252 ? 157 A 1 .
ATOM 1857 C CG2  . THR Axp A 118 ? 9.098   -7.286  32.699  1 28.285 ? 157 A 1 .
ATOM 1858 H H    . THR Axp A 118 ? 10.188  -4.669  33.171  1 25.269 ? 157 A 1 c
ATOM 1859 H HA   . THR Axp A 118 ? 7.459   -4.456  33.643  1 26.81  ? 157 A 1 c
ATOM 1860 H HB   . THR Axp A 118 ? 7.435   -6.199  32.171  1 28.675 ? 157 A 1 c
ATOM 1861 H HG1  . THR Axp A 118 ? 7.544   -7.471  34.429  0 20     ? 157 A 1 c
ATOM 1862 H HG21 . THR Axp A 118 ? 8.784   -8.19   32.529  1 28.259 ? 157 A 1 c
ATOM 1863 H HG22 . THR Axp A 118 ? 9.711   -7.294  33.454  1 28.236 ? 157 A 1 c
ATOM 1864 H HG23 . THR Axp A 118 ? 9.56    -6.951  31.912  1 28.229 ? 157 A 1 c
ATOM 1865 N N    . GLY Axp A 119 ? 7.844   -4.83   36.104  1 28.674 ? 158 A 1 .
ATOM 1866 C CA   . GLY Axp A 119 ? 8.285   -4.699  37.485  1 29.207 ? 158 A 1 .
ATOM 1867 C C    . GLY Axp A 119 ? 8.753   -3.279  37.83   1 29.973 ? 158 A 1 .
ATOM 1868 O O    . GLY Axp A 119 ? 8.163   -2.273  37.394  1 32.242 ? 158 A 1 .
ATOM 1869 H H    . GLY Axp A 119 ? 6.959   -4.723  35.903  1 28.355 ? 158 A 1 c
ATOM 1870 H HA3  . GLY Axp A 119 ? 9.018   -5.337  37.651  1 29.177 ? 158 A 1 c
ATOM 1871 H HA2  . GLY Axp A 119 ? 7.537   -4.945  38.079  1 29.233 ? 158 A 1 c
ATOM 1872 N N    . THR Axp A 120 ? 9.82    -3.214  38.649  1 26.034 ? 159 A 1 .
ATOM 1873 C CA   . THR Axp A 120 ? 10.191  -1.991  39.353  1 22.841 ? 159 A 1 .
ATOM 1874 C C    . THR Axp A 120 ? 11.367  -1.262  38.687  1 19.893 ? 159 A 1 .
ATOM 1875 O O    . THR Axp A 120 ? 12.368  -1.868  38.296  1 19.442 ? 159 A 1 .
ATOM 1876 C CB   . THR Axp A 120 ? 10.515  -2.323  40.809  1 22.915 ? 159 A 1 .
ATOM 1877 O OG1  . THR Axp A 120 ? 9.258   -2.569  41.43   1 20.131 ? 159 A 1 .
ATOM 1878 C CG2  . THR Axp A 120 ? 11.302  -1.208  41.489  1 23.978 ? 159 A 1 .
ATOM 1879 H H    . THR Axp A 120 ? 10.335  -3.959  38.767  1 26.157 ? 159 A 1 c
ATOM 1880 H HA   . THR Axp A 120 ? 9.414   -1.392  39.347  1 22.841 ? 159 A 1 c
ATOM 1881 H HB   . THR Axp A 120 ? 11.055  -3.149  40.84   1 22.538 ? 159 A 1 c
ATOM 1882 H HG1  . THR Axp A 120 ? 8.927   -1.596  41.302  0 18.11  ? 159 A 1 c
ATOM 1883 H HG21 . THR Axp A 120 ? 11.259  -1.324  42.453  1 23.639 ? 159 A 1 c
ATOM 1884 H HG22 . THR Axp A 120 ? 10.92   -0.347  41.252  1 23.59  ? 159 A 1 c
ATOM 1885 H HG23 . THR Axp A 120 ? 12.231  -1.241  41.203  1 23.622 ? 159 A 1 c
ATOM 1886 N N    . MET Axp A 121 ? 11.267  0.073   38.668  1 17.071 ? 160 A 1 .
ATOM 1887 C CA   . MET Axp A 121 ? 12.292  0.946   38.126  1 16.395 ? 160 A 1 .
ATOM 1888 C C    . MET Axp A 121 ? 12.744  2.011   39.132  1 14.414 ? 160 A 1 .
ATOM 1889 O O    . MET Axp A 121 ? 11.919  2.734   39.689  1 14.081 ? 160 A 1 .
ATOM 1890 C CB   . MET Axp A 121 ? 11.764  1.669   36.888  1 18.016 ? 160 A 1 .
ATOM 1891 C CG   . MET Axp A 121 ? 11.826  0.864   35.616  1 20.252 ? 160 A 1 .
ATOM 1892 S SD   . MET Axp A 121 ? 11.183  1.722   34.157  1 24.002 ? 160 A 1 .
ATOM 1893 C CE   . MET Axp A 121 ? 9.458   1.969   34.627  1 23.811 ? 160 A 1 .
ATOM 1894 H H    . MET Axp A 121 ? 10.517  0.459   39.018  1 17.695 ? 160 A 1 c
ATOM 1895 H HA   . MET Axp A 121 ? 13.074  0.394   37.874  1 16.383 ? 160 A 1 c
ATOM 1896 H HB3  . MET Axp A 121 ? 12.282  2.492   36.765  1 18.059 ? 160 A 1 c
ATOM 1897 H HB2  . MET Axp A 121 ? 10.833  1.927   37.055  1 18.154 ? 160 A 1 c
ATOM 1898 H HG3  . MET Axp A 121 ? 11.319  0.037   35.738  1 20.312 ? 160 A 1 c
ATOM 1899 H HG2  . MET Axp A 121 ? 12.755  0.617   35.442  1 20.238 ? 160 A 1 c
ATOM 1900 H HE3  . MET Axp A 121 ? 9.408   2.628   35.345  1 23.798 ? 160 A 1 c
ATOM 1901 H HE2  . MET Axp A 121 ? 9.08    1.124   34.933  1 23.835 ? 160 A 1 c
ATOM 1902 H HE1  . MET Axp A 121 ? 8.955   2.292   33.857  1 23.802 ? 160 A 1 c
ATOM 1903 N N    . THR Axp A 122 ? 14.072  2.124   39.313  1 12.867 ? 161 A 1 .
ATOM 1904 C CA   . THR Axp A 122 ? 14.717  3.264   39.953  1 12.117 ? 161 A 1 .
ATOM 1905 C C    . THR Axp A 122 ? 14.721  4.441   38.988  1 11.317 ? 161 A 1 .
ATOM 1906 O O    . THR Axp A 122 ? 14.7    4.249   37.782  1 11.645 ? 161 A 1 .
ATOM 1907 C CB   . THR Axp A 122 ? 16.165  2.974   40.357  1 12.242 ? 161 A 1 .
ATOM 1908 O OG1  . THR Axp A 122 ? 16.84   2.488   39.204  1 12.322 ? 161 A 1 .
ATOM 1909 C CG2  . THR Axp A 122 ? 16.301  1.942   41.457  1 12.36  ? 161 A 1 .
ATOM 1910 H H    . THR Axp A 122 ? 14.606  1.442   39.018  1 13.083 ? 161 A 1 c
ATOM 1911 H HA   . THR Axp A 122 ? 14.205  3.507   40.756  1 12.139 ? 161 A 1 c
ATOM 1912 H HB   . THR Axp A 122 ? 16.595  3.811   40.654  1 12.251 ? 161 A 1 c
ATOM 1913 H HG1  . THR Axp A 122 ? 16.358  1.628   38.935  0 8.35   ? 161 A 1 c
ATOM 1914 H HG21 . THR Axp A 122 ? 17.242  1.795   41.649  1 12.325 ? 161 A 1 c
ATOM 1915 H HG22 . THR Axp A 122 ? 15.895  1.107   41.17   1 12.325 ? 161 A 1 c
ATOM 1916 H HG23 . THR Axp A 122 ? 15.852  2.261   42.258  1 12.325 ? 161 A 1 c
ATOM 1917 N N    . GLU Axp A 123 ? 14.813  5.655   39.52   1 10.463 ? 162 A 1 .
ATOM 1918 C CA   . GLU Axp A 123 ? 14.89   6.813   38.661  1 10.222 ? 162 A 1 .
ATOM 1919 C C    . GLU Axp A 123 ? 16.136  6.709   37.801  1 10.159 ? 162 A 1 .
ATOM 1920 O O    . GLU Axp A 123 ? 16.142  7.018   36.618  1 9.885  ? 162 A 1 .
ATOM 1921 C CB   . GLU Axp A 123 ? 14.982  8.069   39.512  1 10.358 ? 162 A 1 .
ATOM 1922 C CG   . GLU Axp A 123 ? 15.115  9.315   38.655  1 10.413 ? 162 A 1 .
ATOM 1923 C CD   . GLU Axp A 123 ? 14.844  10.574  39.419  1 10.635 ? 162 A 1 .
ATOM 1924 O OE1  . GLU Axp A 123 ? 14.771  10.5    40.655  1 11.153 ? 162 A 1 .
ATOM 1925 O OE2  . GLU Axp A 123 ? 14.676  11.614  38.758  1 11.068 ? 162 A 1 .
ATOM 1926 H H    . GLU Axp A 123 ? 14.828  5.763   40.427  1 10.623 ? 162 A 1 c
ATOM 1927 H HA   . GLU Axp A 123 ? 14.086  6.843   38.083  1 10.309 ? 162 A 1 c
ATOM 1928 H HB3  . GLU Axp A 123 ? 15.758  7.996   40.106  1 10.353 ? 162 A 1 c
ATOM 1929 H HB2  . GLU Axp A 123 ? 14.181  8.131   40.071  1 10.399 ? 162 A 1 c
ATOM 1930 H HG3  . GLU Axp A 123 ? 14.486  9.26    37.904  1 10.45  ? 162 A 1 c
ATOM 1931 H HG2  . GLU Axp A 123 ? 16.023  9.361   38.288  1 10.45  ? 162 A 1 c
ATOM 1932 N N    . SER Axp A 124 ? 17.204  6.282   38.452  1 10.696 ? 163 A 1 .
ATOM 1933 C CA   . SER Axp A 124 ? 18.453  5.913   37.81   1 11.185 ? 163 A 1 .
ATOM 1934 C C    . SER Axp A 124 ? 18.245  5.076   36.536  1 11.043 ? 163 A 1 .
ATOM 1935 O O    . SER Axp A 124 ? 18.819  5.368   35.498  1 10.63  ? 163 A 1 .
ATOM 1936 C CB   . SER Axp A 124 ? 19.306  5.184   38.841  1 11.325 ? 163 A 1 .
ATOM 1937 O OG   . SER Axp A 124 ? 20.638  5.667   38.807  1 11.441 ? 163 A 1 .
ATOM 1938 H H    . SER Axp A 124 ? 17.159  6.231   39.364  1 10.676 ? 163 A 1 c
ATOM 1939 H HA   . SER Axp A 124 ? 18.922  6.748   37.555  1 11.09  ? 163 A 1 c
ATOM 1940 H HB3  . SER Axp A 124 ? 19.301  4.229   38.648  1 11.318 ? 163 A 1 c
ATOM 1941 H HB2  . SER Axp A 124 ? 18.934  5.319   39.733  1 11.311 ? 163 A 1 c
ATOM 1942 H HG   . SER Axp A 124 ? 20.92   4.857   39.317  0 11     ? 163 A 1 c
ATOM 1943 N N    . MET Axp A 125 ? 17.468  3.994   36.646  1 11.315 ? 164 A 1 .
ATOM 1944 C CA   . MET Axp A 125 ? 17.143  3.111   35.539  1 11.421 ? 164 A 1 .
ATOM 1945 C C    . MET Axp A 125 ? 16.318  3.84    34.488  1 11.694 ? 164 A 1 .
ATOM 1946 O O    . MET Axp A 125 ? 16.571  3.718   33.296  1 11.439 ? 164 A 1 .
ATOM 1947 C CB   . MET Axp A 125 ? 16.272  1.944   36.014  1 11.616 ? 164 A 1 .
ATOM 1948 C CG   . MET Axp A 125 ? 17.036  0.78    36.576  1 11.832 ? 164 A 1 .
ATOM 1949 S SD   . MET Axp A 125 ? 16.001  -0.334  37.545  1 11.532 ? 164 A 1 .
ATOM 1950 C CE   . MET Axp A 125 ? 15.06   -1.214  36.291  1 11.731 ? 164 A 1 .
ATOM 1951 H H    . MET Axp A 125 ? 17.124  3.795   37.469  1 11.275 ? 164 A 1 c
ATOM 1952 H HA   . MET Axp A 125 ? 17.982  2.773   35.134  1 11.485 ? 164 A 1 c
ATOM 1953 H HB3  . MET Axp A 125 ? 15.735  1.629   35.256  1 11.621 ? 164 A 1 c
ATOM 1954 H HB2  . MET Axp A 125 ? 15.653  2.274   36.697  1 11.618 ? 164 A 1 c
ATOM 1955 H HG3  . MET Axp A 125 ? 17.759  1.112   37.144  1 11.725 ? 164 A 1 c
ATOM 1956 H HG2  . MET Axp A 125 ? 17.44   0.275   35.843  1 11.723 ? 164 A 1 c
ATOM 1957 H HE3  . MET Axp A 125 ? 15.672  -1.703  35.71   1 11.705 ? 164 A 1 c
ATOM 1958 H HE2  . MET Axp A 125 ? 14.55   -0.576  35.76   1 11.748 ? 164 A 1 c
ATOM 1959 H HE1  . MET Axp A 125 ? 14.451  -1.842  36.722  1 11.733 ? 164 A 1 c
ATOM 1960 N N    . ILE Axp A 126 ? 15.267  4.515   34.953  1 12.551 ? 165 A 1 .
ATOM 1961 C CA   . ILE Axp A 126 ? 14.374  5.278   34.101  1 13.409 ? 165 A 1 .
ATOM 1962 C C    . ILE Axp A 126 ? 15.215  6.172   33.204  1 14.762 ? 165 A 1 .
ATOM 1963 O O    . ILE Axp A 126 ? 14.922  6.292   32.015  1 16.731 ? 165 A 1 .
ATOM 1964 C CB   . ILE Axp A 126 ? 13.389  6.119   34.933  1 13.169 ? 165 A 1 .
ATOM 1965 C CG1  . ILE Axp A 126 ? 12.234  5.274   35.442  1 13.138 ? 165 A 1 .
ATOM 1966 C CG2  . ILE Axp A 126 ? 12.895  7.343   34.163  1 13.056 ? 165 A 1 .
ATOM 1967 C CD1  . ILE Axp A 126 ? 11.552  5.844   36.678  1 13.314 ? 165 A 1 .
ATOM 1968 H H    . ILE Axp A 126 ? 15.094  4.493   35.851  1 12.516 ? 165 A 1 c
ATOM 1969 H HA   . ILE Axp A 126 ? 13.866  4.657   33.543  1 13.429 ? 165 A 1 c
ATOM 1970 H HB   . ILE Axp A 126 ? 13.874  6.444   35.716  1 13.157 ? 165 A 1 c
ATOM 1971 H HG12 . ILE Axp A 126 ? 12.568  4.379   35.652  1 13.218 ? 165 A 1 c
ATOM 1972 H HG13 . ILE Axp A 126 ? 11.57   5.186   34.728  1 13.191 ? 165 A 1 c
ATOM 1973 H HG21 . ILE Axp A 126 ? 12.226  7.811   34.689  1 13.095 ? 165 A 1 c
ATOM 1974 H HG22 . ILE Axp A 126 ? 12.501  7.06    33.321  1 13.099 ? 165 A 1 c
ATOM 1975 H HG23 . ILE Axp A 126 ? 13.638  7.941   33.985  1 13.098 ? 165 A 1 c
ATOM 1976 H HD11 . ILE Axp A 126 ? 12.108  5.68    37.463  1 13.247 ? 165 A 1 c
ATOM 1977 H HD12 . ILE Axp A 126 ? 10.685  5.412   36.8    1 13.264 ? 165 A 1 c
ATOM 1978 H HD13 . ILE Axp A 126 ? 11.421  6.805   36.568  1 13.291 ? 165 A 1 c
ATOM 1979 N N    . HIS Axp A 127 ? 16.216  6.823   33.805  1 15.111 ? 166 A 1 .
ATOM 1980 C CA   . HIS Axp A 127 ? 17.109  7.721   33.089  1 15.668 ? 166 A 1 .
ATOM 1981 C C    . HIS Axp A 127 ? 17.867  6.957   31.999  1 15.896 ? 166 A 1 .
ATOM 1982 O O    . HIS Axp A 127 ? 17.922  7.391   30.847  1 15.537 ? 166 A 1 .
ATOM 1983 C CB   . HIS Axp A 127 ? 17.994  8.447   34.108  1 16.192 ? 166 A 1 .
ATOM 1984 C CG   . HIS Axp A 127 ? 19.048  9.318   33.531  1 16.391 ? 166 A 1 .
ATOM 1985 N ND1  . HIS Axp A 127 ? 20.041  8.784   32.742  1 17.018 ? 166 A 1 .
ATOM 1986 C CD2  . HIS Axp A 127 ? 19.331  10.624  33.69   1 16.476 ? 166 A 1 .
ATOM 1987 C CE1  . HIS Axp A 127 ? 20.855  9.768   32.377  1 17.526 ? 166 A 1 .
ATOM 1988 N NE2  . HIS Axp A 127 ? 20.436  10.896  32.939  1 16.983 ? 166 A 1 .
ATOM 1989 H H    . HIS Axp A 127 ? 16.34   6.712   34.704  1 15.112 ? 166 A 1 c
ATOM 1990 H HA   . HIS Axp A 127 ? 16.543  8.4     32.645  1 15.693 ? 166 A 1 c
ATOM 1991 H HB3  . HIS Axp A 127 ? 18.424  7.774   34.678  1 16.063 ? 166 A 1 c
ATOM 1992 H HB2  . HIS Axp A 127 ? 17.421  8.986   34.691  1 16.054 ? 166 A 1 c
ATOM 1993 H HD1  . HIS Axp A 127 ? 19.924  7.879   32.418  0 9.73   ? 166 A 1 c
ATOM 1994 H HD2  . HIS Axp A 127 ? 18.839  11.255  34.176  1 16.527 ? 166 A 1 c
ATOM 1995 H HE1  . HIS Axp A 127 ? 21.609  9.676   31.822  1 17.253 ? 166 A 1 c
ATOM 1996 H HE2  . HIS Axp A 127 ? 20.908  11.476  33.012  0 11.98  ? 166 A 1 c
ATOM 1997 N N    . ASP Axp A 128 ? 18.437  5.803   32.351  1 16.034 ? 167 A 1 .
ATOM 1998 C CA   . ASP Axp A 128 ? 19.198  5.048   31.377  1 16.712 ? 167 A 1 .
ATOM 1999 C C    . ASP Axp A 128 ? 18.302  4.703   30.2    1 16.309 ? 167 A 1 .
ATOM 2000 O O    . ASP Axp A 128 ? 18.717  4.845   29.064  1 18.168 ? 167 A 1 .
ATOM 2001 C CB   . ASP Axp A 128 ? 19.905  3.861   32.004  1 18.211 ? 167 A 1 .
ATOM 2002 C CG   . ASP Axp A 128 ? 21.024  4.28    32.943  1 20.542 ? 167 A 1 .
ATOM 2003 O OD1  . ASP Axp A 128 ? 21.634  5.32    32.639  1 24.756 ? 167 A 1 .
ATOM 2004 O OD2  . ASP Axp A 128 ? 21.268  3.596   33.965  1 20.652 ? 167 A 1 .
ATOM 2005 H H    . ASP Axp A 128 ? 18.356  5.486   33.205  1 16.147 ? 167 A 1 c
ATOM 2006 H HA   . ASP Axp A 128 ? 19.909  5.637   31.038  1 16.83  ? 167 A 1 c
ATOM 2007 H HB3  . ASP Axp A 128 ? 20.283  3.299   31.296  1 18.358 ? 167 A 1 c
ATOM 2008 H HB2  . ASP Axp A 128 ? 19.256  3.327   32.508  1 18.358 ? 167 A 1 c
ATOM 2009 N N    . TYR Axp A 129 ? 17.079  4.263   30.48   1 15.674 ? 168 A 1 .
ATOM 2010 C CA   . TYR Axp A 129 ? 16.131  3.86    29.458  1 14.791 ? 168 A 1 .
ATOM 2011 C C    . TYR Axp A 129 ? 15.73   5.007   28.567  1 14.723 ? 168 A 1 .
ATOM 2012 O O    . TYR Axp A 129 ? 15.594  4.834   27.372  1 14.989 ? 168 A 1 .
ATOM 2013 C CB   . TYR Axp A 129 ? 14.858  3.376   30.129  1 15.064 ? 168 A 1 .
ATOM 2014 C CG   . TYR Axp A 129 ? 15.08   2.029   30.786  1 15.514 ? 168 A 1 .
ATOM 2015 C CD1  . TYR Axp A 129 ? 16.049  1.156   30.302  1 15.997 ? 168 A 1 .
ATOM 2016 C CD2  . TYR Axp A 129 ? 14.341  1.647   31.891  1 15.88  ? 168 A 1 .
ATOM 2017 C CE1  . TYR Axp A 129 ? 16.259  -0.076  30.887  1 16.173 ? 168 A 1 .
ATOM 2018 C CE2  . TYR Axp A 129 ? 14.543  0.419   32.488  1 16.34  ? 168 A 1 .
ATOM 2019 C CZ   . TYR Axp A 129 ? 15.499  -0.44   31.978  1 16.543 ? 168 A 1 .
ATOM 2020 O OH   . TYR Axp A 129 ? 15.696  -1.658  32.538  1 18.059 ? 168 A 1 .
ATOM 2021 H H    . TYR Axp A 129 ? 16.823  4.207   31.356  1 15.618 ? 168 A 1 c
ATOM 2022 H HA   . TYR Axp A 129 ? 16.522  3.137   28.905  1 15.011 ? 168 A 1 c
ATOM 2023 H HB3  . TYR Axp A 129 ? 14.147  3.297   29.454  1 15.093 ? 168 A 1 c
ATOM 2024 H HB2  . TYR Axp A 129 ? 14.582  4.03    30.808  1 15.112 ? 168 A 1 c
ATOM 2025 H HD1  . TYR Axp A 129 ? 16.56   1.395   29.548  1 15.914 ? 168 A 1 c
ATOM 2026 H HD2  . TYR Axp A 129 ? 13.683  2.229   32.236  1 15.907 ? 168 A 1 c
ATOM 2027 H HE1  . TYR Axp A 129 ? 16.906  -0.666  30.539  1 16.22  ? 168 A 1 c
ATOM 2028 H HE2  . TYR Axp A 129 ? 14.026  0.163   33.232  1 16.322 ? 168 A 1 c
ATOM 2029 H HH   . TYR Axp A 129 ? 16.166  -2.023  32.036  0 12.41  ? 168 A 1 c
ATOM 2030 N N    . MET Axp A 130 ? 15.542  6.177   29.15   1 15.277 ? 169 A 1 .
ATOM 2031 C CA   . MET Axp A 130 ? 15.268  7.323   28.317  1 16.086 ? 169 A 1 .
ATOM 2032 C C    . MET Axp A 130 ? 16.471  7.67    27.436  1 15.138 ? 169 A 1 .
ATOM 2033 O O    . MET Axp A 130 ? 16.252  8.058   26.3    1 14.845 ? 169 A 1 .
ATOM 2034 C CB   . MET Axp A 130 ? 14.74   8.475   29.161  1 18.499 ? 169 A 1 .
ATOM 2035 C CG   . MET Axp A 130 ? 13.334  8.186   29.657  1 21.417 ? 169 A 1 .
ATOM 2036 S SD   . MET Axp A 130 ? 12.524  9.659   30.309  1 27.618 ? 169 A 1 .
ATOM 2037 C CE   . MET Axp A 130 ? 11.014  9.123   31.132  1 27.066 ? 169 A 1 .
ATOM 2038 H H    . MET Axp A 130 ? 15.574  6.267   30.059  1 15.36  ? 169 A 1 c
ATOM 2039 H HA   . MET Axp A 130 ? 14.543  7.054   27.696  1 16.192 ? 169 A 1 c
ATOM 2040 H HB3  . MET Axp A 130 ? 14.736  9.294   28.621  1 18.498 ? 169 A 1 c
ATOM 2041 H HB2  . MET Axp A 130 ? 15.337  8.614   29.927  1 18.483 ? 169 A 1 c
ATOM 2042 H HG3  . MET Axp A 130 ? 13.37   7.508   30.359  1 21.661 ? 169 A 1 c
ATOM 2043 H HG2  . MET Axp A 130 ? 12.796  7.831   28.922  1 21.621 ? 169 A 1 c
ATOM 2044 H HE3  . MET Axp A 130 ? 11.213  8.366   31.714  1 27.202 ? 169 A 1 c
ATOM 2045 H HE2  . MET Axp A 130 ? 10.357  8.856   30.463  1 27.202 ? 169 A 1 c
ATOM 2046 H HE1  . MET Axp A 130 ? 10.656  9.857   31.665  1 27.202 ? 169 A 1 c
ATOM 2047 N N    . ASN Axp A 131 ? 17.718  7.441   27.882  1 15.195 ? 170 A 1 .
ATOM 2048 C CA   . ASN Axp A 131 ? 18.888  7.547   27      1 14.847 ? 170 A 1 .
ATOM 2049 C C    . ASN Axp A 131 ? 18.871  6.506   25.878  1 14.694 ? 170 A 1 .
ATOM 2050 O O    . ASN Axp A 131 ? 19.123  6.796   24.713  1 15.304 ? 170 A 1 .
ATOM 2051 C CB   . ASN Axp A 131 ? 20.223  7.335   27.705  1 14.758 ? 170 A 1 .
ATOM 2052 C CG   . ASN Axp A 131 ? 20.705  8.57    28.424  1 15.282 ? 170 A 1 .
ATOM 2053 O OD1  . ASN Axp A 131 ? 20.471  9.691   27.968  1 15.123 ? 170 A 1 .
ATOM 2054 N ND2  . ASN Axp A 131 ? 21.378  8.4     29.55   1 16.416 ? 170 A 1 .
ATOM 2055 H H    . ASN Axp A 131 ? 17.848  7.219   28.76   1 15.109 ? 170 A 1 c
ATOM 2056 H HA   . ASN Axp A 131 ? 18.896  8.444   26.597  1 14.872 ? 170 A 1 c
ATOM 2057 H HB3  . ASN Axp A 131 ? 20.896  7.069   27.046  1 14.902 ? 170 A 1 c
ATOM 2058 H HB2  . ASN Axp A 131 ? 20.132  6.608   28.351  1 14.926 ? 170 A 1 c
ATOM 2059 H HD21 . ASN Axp A 131 ? 22.161  8.802   29.663  1 16.069 ? 170 A 1 c
ATOM 2060 H HD22 . ASN Axp A 131 ? 21.046  7.883   30.19   1 16.068 ? 170 A 1 c
ATOM 2061 N N    . LEU Axp A 132 ? 18.572  5.267   26.231  1 14.909 ? 171 A 1 .
ATOM 2062 C CA   . LEU Axp A 132 ? 18.51   4.196   25.262  1 15.233 ? 171 A 1 .
ATOM 2063 C C    . LEU Axp A 132 ? 17.602  4.537   24.077  1 15.089 ? 171 A 1 .
ATOM 2064 O O    . LEU Axp A 132 ? 17.781  3.985   23.006  1 14.943 ? 171 A 1 .
ATOM 2065 C CB   . LEU Axp A 132 ? 18.033  2.965   26.026  1 15.815 ? 171 A 1 .
ATOM 2066 C CG   . LEU Axp A 132 ? 17.764  1.742   25.157  1 16.505 ? 171 A 1 .
ATOM 2067 C CD1  . LEU Axp A 132 ? 19.102  1.294   24.603  1 17.058 ? 171 A 1 .
ATOM 2068 C CD2  . LEU Axp A 132 ? 17.043  0.655   25.914  1 16.649 ? 171 A 1 .
ATOM 2069 H H    . LEU Axp A 132 ? 18.407  5.078   27.11   1 14.945 ? 171 A 1 c
ATOM 2070 H HA   . LEU Axp A 132 ? 19.426  4.035   24.922  1 15.264 ? 171 A 1 c
ATOM 2071 H HB3  . LEU Axp A 132 ? 17.204  3.198   26.502  1 15.825 ? 171 A 1 c
ATOM 2072 H HB2  . LEU Axp A 132 ? 18.716  2.732   26.696  1 15.845 ? 171 A 1 c
ATOM 2073 H HG   . LEU Axp A 132 ? 17.189  2.015   24.398  1 16.486 ? 171 A 1 c
ATOM 2074 H HD11 . LEU Axp A 132 ? 19.388  1.907   23.905  1 16.869 ? 171 A 1 c
ATOM 2075 H HD12 . LEU Axp A 132 ? 19.015  0.401   24.231  1 16.884 ? 171 A 1 c
ATOM 2076 H HD13 . LEU Axp A 132 ? 19.764  1.283   25.315  1 16.873 ? 171 A 1 c
ATOM 2077 H HD21 . LEU Axp A 132 ? 16.407  1.054   26.531  1 16.571 ? 171 A 1 c
ATOM 2078 H HD22 . LEU Axp A 132 ? 17.687  0.125   26.414  1 16.6   ? 171 A 1 c
ATOM 2079 H HD23 . LEU Axp A 132 ? 16.57   0.082   25.288  1 16.598 ? 171 A 1 c
ATOM 2080 N N    . ILE Axp A 133 ? 16.612  5.417   24.234  1 15.576 ? 172 A 1 .
ATOM 2081 C CA   . ILE Axp A 133 ? 15.711  5.666   23.118  1 15.917 ? 172 A 1 .
ATOM 2082 C C    . ILE Axp A 133 ? 15.777  7.087   22.581  1 16.364 ? 172 A 1 .
ATOM 2083 O O    . ILE Axp A 133 ? 15.085  7.366   21.615  1 16.769 ? 172 A 1 .
ATOM 2084 C CB   . ILE Axp A 133 ? 14.251  5.339   23.453  1 16.2   ? 172 A 1 .
ATOM 2085 C CG1  . ILE Axp A 133 ? 13.804  5.953   24.785  1 16.498 ? 172 A 1 .
ATOM 2086 C CG2  . ILE Axp A 133 ? 14.045  3.83    23.376  1 16.457 ? 172 A 1 .
ATOM 2087 C CD1  . ILE Axp A 133 ? 12.304  5.916   25.028  1 16.609 ? 172 A 1 .
ATOM 2088 H H    . ILE Axp A 133 ? 16.486  5.852   25.027  1 15.551 ? 172 A 1 c
ATOM 2089 H HA   . ILE Axp A 133 ? 15.976  5.073   22.39   1 15.976 ? 172 A 1 c
ATOM 2090 H HB   . ILE Axp A 133 ? 13.696  5.739   22.754  1 16.254 ? 172 A 1 c
ATOM 2091 H HG12 . ILE Axp A 133 ? 14.103  6.885   24.818  1 16.451 ? 172 A 1 c
ATOM 2092 H HG13 . ILE Axp A 133 ? 14.246  5.473   25.513  1 16.435 ? 172 A 1 c
ATOM 2093 H HG21 . ILE Axp A 133 ? 13.131  3.612   23.627  1 16.368 ? 172 A 1 c
ATOM 2094 H HG22 . ILE Axp A 133 ? 14.66   3.386   23.984  1 16.377 ? 172 A 1 c
ATOM 2095 H HG23 . ILE Axp A 133 ? 14.211  3.524   22.469  1 16.375 ? 172 A 1 c
ATOM 2096 H HD11 . ILE Axp A 133 ? 11.836  6.231   24.231  1 16.552 ? 172 A 1 c
ATOM 2097 H HD12 . ILE Axp A 133 ? 12.08   6.492   25.784  1 16.57  ? 172 A 1 c
ATOM 2098 H HD13 . ILE Axp A 133 ? 12.026  5.001   25.225  1 16.569 ? 172 A 1 c
ATOM 2099 N N    . LYS Axp A 134 ? 16.564  7.988   23.152  1 17.43  ? 173 A 1 .
ATOM 2100 C CA   . LYS Axp A 134 ? 16.527  9.34    22.625  1 19.92  ? 173 A 1 .
ATOM 2101 C C    . LYS Axp A 134 ? 17.227  9.425   21.265  1 21.7   ? 173 A 1 .
ATOM 2102 O O    . LYS Axp A 134 ? 18.228  8.756   21.013  1 23.685 ? 173 A 1 .
ATOM 2103 C CB   . LYS Axp A 134 ? 17.124  10.374  23.568  1 20.926 ? 173 A 1 .
ATOM 2104 C CG   . LYS Axp A 134 ? 18.588  10.233  23.809  1 22.337 ? 173 A 1 .
ATOM 2105 C CD   . LYS Axp A 134 ? 18.951  11.399  24.701  1 25.281 ? 173 A 1 .
ATOM 2106 C CE   . LYS Axp A 134 ? 20.409  11.593  24.746  1 29.374 ? 173 A 1 .
ATOM 2107 N NZ   . LYS Axp A 134 ? 20.653  12.878  25.393  1 32.278 ? 173 A 1 .
ATOM 2108 H H    . LYS Axp A 134 ? 17.114  7.779   23.852  1 17.711 ? 173 A 1 c
ATOM 2109 H HA   . LYS Axp A 134 ? 15.576  9.581   22.501  1 19.888 ? 173 A 1 c
ATOM 2110 H HB3  . LYS Axp A 134 ? 16.664  10.315  24.431  1 20.952 ? 173 A 1 c
ATOM 2111 H HB2  . LYS Axp A 134 ? 16.953  11.267  23.199  1 21.056 ? 173 A 1 c
ATOM 2112 H HG3  . LYS Axp A 134 ? 19.079  10.285  22.961  1 22.682 ? 173 A 1 c
ATOM 2113 H HG2  . LYS Axp A 134 ? 18.776  9.382   24.26   1 22.555 ? 173 A 1 c
ATOM 2114 H HD3  . LYS Axp A 134 ? 18.62   11.228  25.61   1 25.5   ? 173 A 1 c
ATOM 2115 H HD2  . LYS Axp A 134 ? 18.527  12.218  24.365  1 25.479 ? 173 A 1 c
ATOM 2116 H HE3  . LYS Axp A 134 ? 20.782  11.607  23.849  1 28.938 ? 173 A 1 c
ATOM 2117 H HE2  . LYS Axp A 134 ? 20.833  10.882  25.258  1 28.997 ? 173 A 1 c
ATOM 2118 H HZ1  . LYS Axp A 134 ? 20.218  12.914  26.188  1 31.25  ? 173 A 1 c
ATOM 2119 H HZ2  . LYS Axp A 134 ? 20.361  13.552  24.863  1 31.25  ? 173 A 1 c
ATOM 2120 H HZ3  . LYS Axp A 134 ? 21.541  12.981  25.539  1 31.315 ? 173 A 1 c
ATOM 2121 N N    . PRO Axp A 135 ? 16.698  10.254  20.339  1 21.457 ? 174 A 1 .
ATOM 2122 C CA   . PRO Axp A 135 ? 17.296  10.45   19.022  1 21.51  ? 174 A 1 .
ATOM 2123 C C    . PRO Axp A 135 ? 18.82   10.634  19.006  1 20.964 ? 174 A 1 .
ATOM 2124 O O    . PRO Axp A 135 ? 19.513  9.9     18.327  1 22.251 ? 174 A 1 .
ATOM 2125 C CB   . PRO Axp A 135 ? 16.552  11.671  18.467  1 22.015 ? 174 A 1 .
ATOM 2126 C CG   . PRO Axp A 135 ? 15.65   12.158  19.592  1 22.485 ? 174 A 1 .
ATOM 2127 C CD   . PRO Axp A 135 ? 15.456  11.018  20.525  1 21.806 ? 174 A 1 .
ATOM 2128 H HA   . PRO Axp A 135 ? 17.072  9.678   18.463  1 21.495 ? 174 A 1 c
ATOM 2129 H HB3  . PRO Axp A 135 ? 16.023  11.425  17.683  1 21.993 ? 174 A 1 c
ATOM 2130 H HB2  . PRO Axp A 135 ? 17.182  12.371  18.205  1 21.94  ? 174 A 1 c
ATOM 2131 H HG3  . PRO Axp A 135 ? 14.79   12.446  19.235  1 22.013 ? 174 A 1 c
ATOM 2132 H HG2  . PRO Axp A 135 ? 16.061  12.912  20.057  1 22.126 ? 174 A 1 c
ATOM 2133 H HD3  . PRO Axp A 135 ? 15.365  11.328  21.446  1 21.843 ? 174 A 1 c
ATOM 2134 H HD2  . PRO Axp A 135 ? 14.675  10.482  20.282  1 21.869 ? 174 A 1 c
ATOM 2135 N N    . GLY Axp A 136 ? 19.369  11.628  19.696  1 20.566 ? 175 A 1 .
ATOM 2136 C CA   . GLY Axp A 136 ? 20.8    11.874  19.596  1 21.207 ? 175 A 1 .
ATOM 2137 C C    . GLY Axp A 136 ? 21.6    11.011  20.559  1 23.606 ? 175 A 1 .
ATOM 2138 O O    . GLY Axp A 136 ? 22.35   10.126  20.071  1 22.199 ? 175 A 1 .
ATOM 2139 O OXT  . GLY Axp A 136 ? 21.455  11.256  21.79   1 30.613 ? 175 A 1 .
ATOM 2140 H H    . GLY Axp A 136 ? 18.855  12.16   20.233  1 20.803 ? 175 A 1 c
ATOM 2141 H HA3  . GLY Axp A 136 ? 20.974  12.824  19.791  1 21.51  ? 175 A 1 c
ATOM 2142 H HA2  . GLY Axp A 136 ? 21.098  11.697  18.674  1 21.506 ? 175 A 1 c
ATOM 2143 N N    . SER Bxp B 1   ? 23.17   20.176  24.036  1 34.201 ? 40  B 1 .
ATOM 2144 C CA   . SER Bxp B 1   ? 24.52   20.693  23.702  1 34.318 ? 40  B 1 .
ATOM 2145 C C    . SER Bxp B 1   ? 24.399  21.881  22.741  1 33.405 ? 40  B 1 .
ATOM 2146 O O    . SER Bxp B 1   ? 24.038  21.71   21.579  1 34.444 ? 40  B 1 .
ATOM 2147 C CB   . SER Bxp B 1   ? 25.382  19.595  23.143  1 35.501 ? 40  B 1 .
ATOM 2148 O OG   . SER Bxp B 1   ? 26.746  19.818  23.483  1 36.765 ? 40  B 1 .
ATOM 2149 H H    . SER Bxp B 1   ? 23.237  19.513  24.644  1 34.221 ? 40  B 1 c
ATOM 2150 H H2   . SER Bxp B 1   ? 22.773  19.856  23.292  1 34.214 ? 40  B 1 c
ATOM 2151 H H3   . SER Bxp B 1   ? 22.665  20.839  24.38   1 34.132 ? 40  B 1 c
ATOM 2152 H HA   . SER Bxp B 1   ? 24.937  21.016  24.541  1 34.301 ? 40  B 1 c
ATOM 2153 H HB3  . SER Bxp B 1   ? 25.288  19.565  22.172  1 35.503 ? 40  B 1 c
ATOM 2154 H HB2  . SER Bxp B 1   ? 25.093  18.737  23.506  1 35.503 ? 40  B 1 c
ATOM 2155 H HG   . SER Bxp B 1   ? 27.157  18.937  23.055  0 26.4   ? 40  B 1 c
ATOM 2156 N N    . ASP Bxp B 2   ? 24.753  23.072  23.246  1 30.638 ? 41  B 1 .
ATOM 2157 C CA   . ASP Bxp B 2   ? 24.459  24.375  22.658  1 26.155 ? 41  B 1 .
ATOM 2158 C C    . ASP Bxp B 2   ? 24.928  24.54   21.22   1 22.758 ? 41  B 1 .
ATOM 2159 O O    . ASP Bxp B 2   ? 26.031  24.159  20.841  1 21.983 ? 41  B 1 .
ATOM 2160 C CB   . ASP Bxp B 2   ? 25.099  25.502  23.45   1 26.346 ? 41  B 1 .
ATOM 2161 C CG   . ASP Bxp B 2   ? 24.207  26.003  24.559  1 27.641 ? 41  B 1 .
ATOM 2162 O OD1  . ASP Bxp B 2   ? 22.994  25.993  24.307  1 30.696 ? 41  B 1 .
ATOM 2163 O OD2  . ASP Bxp B 2   ? 24.726  26.388  25.632  1 29.712 ? 41  B 1 .
ATOM 2164 H H    . ASP Bxp B 2   ? 25.222  23.065  24.031  1 30.171 ? 41  B 1 c
ATOM 2165 H HA   . ASP Bxp B 2   ? 23.484  24.498  22.677  1 26.28  ? 41  B 1 c
ATOM 2166 H HB3  . ASP Bxp B 2   ? 25.297  26.255  22.854  1 26.575 ? 41  B 1 c
ATOM 2167 H HB2  . ASP Bxp B 2   ? 25.942  25.192  23.841  1 26.615 ? 41  B 1 c
ATOM 2168 N N    . ALA Bxp B 3   ? 24.092  25.211  20.436  1 20.707 ? 42  B 1 .
ATOM 2169 C CA   . ALA Bxp B 3   ? 24.337  25.323  19.01   1 20.41  ? 42  B 1 .
ATOM 2170 C C    . ALA Bxp B 3   ? 25.138  26.593  18.716  1 18.922 ? 42  B 1 .
ATOM 2171 O O    . ALA Bxp B 3   ? 24.719  27.69   19.101  1 20.764 ? 42  B 1 .
ATOM 2172 C CB   . ALA Bxp B 3   ? 23.017  25.316  18.261  1 20.64  ? 42  B 1 .
ATOM 2173 H H    . ALA Bxp B 3   ? 23.354  25.615  20.794  1 21.18  ? 42  B 1 c
ATOM 2174 H HA   . ALA Bxp B 3   ? 24.871  24.536  18.722  1 20.142 ? 42  B 1 c
ATOM 2175 H HB3  . ALA Bxp B 3   ? 23.185  25.313  17.303  1 20.569 ? 42  B 1 c
ATOM 2176 H HB2  . ALA Bxp B 3   ? 22.505  26.108  18.494  1 20.562 ? 42  B 1 c
ATOM 2177 H HB1  . ALA Bxp B 3   ? 22.509  24.523  18.5    1 20.569 ? 42  B 1 c
ATOM 2178 N N    . PRO Bxp B 4   ? 26.298  26.505  18.02   1 15.524 ? 43  B 1 .
ATOM 2179 C CA   . PRO Bxp B 4   ? 27.07   27.694  17.685  1 14.402 ? 43  B 1 .
ATOM 2180 C C    . PRO Bxp B 4   ? 26.296  28.733  16.879  1 13.694 ? 43  B 1 .
ATOM 2181 O O    . PRO Bxp B 4   ? 25.77   28.437  15.823  1 13.458 ? 43  B 1 .
ATOM 2182 C CB   . PRO Bxp B 4   ? 28.297  27.13   16.978  1 14.536 ? 43  B 1 .
ATOM 2183 C CG   . PRO Bxp B 4   ? 28.387  25.699  17.465  1 14.7   ? 43  B 1 .
ATOM 2184 C CD   . PRO Bxp B 4   ? 26.976  25.262  17.623  1 15.057 ? 43  B 1 .
ATOM 2185 H HA   . PRO Bxp B 4   ? 27.37   28.109  18.52   1 14.496 ? 43  B 1 c
ATOM 2186 H HB3  . PRO Bxp B 4   ? 29.098  27.629  17.222  1 14.542 ? 43  B 1 c
ATOM 2187 H HB2  . PRO Bxp B 4   ? 28.186  27.161  16.008  1 14.538 ? 43  B 1 c
ATOM 2188 H HG3  . PRO Bxp B 4   ? 28.861  25.649  18.319  1 14.744 ? 43  B 1 c
ATOM 2189 H HG2  . PRO Bxp B 4   ? 28.85   25.136  16.813  1 14.744 ? 43  B 1 c
ATOM 2190 H HD3  . PRO Bxp B 4   ? 26.612  24.918  16.791  1 15.093 ? 43  B 1 c
ATOM 2191 H HD2  . PRO Bxp B 4   ? 26.896  24.582  18.319  1 15.169 ? 43  B 1 c
ATOM 2192 N N    . ASN Bxp B 5   ? 26.249  29.957  17.411  1 13.972 ? 44  B 1 .
ATOM 2193 C CA   . ASN Bxp B 5   ? 25.58   31.089  16.798  1 14.242 ? 44  B 1 .
ATOM 2194 C C    . ASN Bxp B 5   ? 26.414  31.612  15.633  1 14.036 ? 44  B 1 .
ATOM 2195 O O    . ASN Bxp B 5   ? 27.629  31.489  15.639  1 13.847 ? 44  B 1 .
ATOM 2196 C CB   . ASN Bxp B 5   ? 25.436  32.244  17.776  1 15.093 ? 44  B 1 .
ATOM 2197 C CG   . ASN Bxp B 5   ? 24.218  33.083  17.493  1 16.445 ? 44  B 1 .
ATOM 2198 O OD1  . ASN Bxp B 5   ? 23.899  33.362  16.343  1 17.858 ? 44  B 1 .
ATOM 2199 N ND2  . ASN Bxp B 5   ? 23.503  33.484  18.524  1 17.998 ? 44  B 1 .
ATOM 2200 H H    . ASN Bxp B 5   ? 26.67   30.093  18.211  1 13.991 ? 44  B 1 c
ATOM 2201 H HA   . ASN Bxp B 5   ? 24.686  30.818  16.488  1 14.325 ? 44  B 1 c
ATOM 2202 H HB3  . ASN Bxp B 5   ? 26.233  32.81   17.728  1 15.188 ? 44  B 1 c
ATOM 2203 H HB2  . ASN Bxp B 5   ? 25.373  31.887  18.684  1 15.205 ? 44  B 1 c
ATOM 2204 H HD21 . ASN Bxp B 5   ? 23.233  34.328  18.567  1 17.573 ? 44  B 1 c
ATOM 2205 H HD22 . ASN Bxp B 5   ? 23.326  32.918  19.183  1 17.56  ? 44  B 1 c
ATOM 2206 N N    . PHE Bxp B 6   ? 25.748  32.232  14.653  1 14.118 ? 45  B 1 .
ATOM 2207 C CA   . PHE Bxp B 6   ? 26.399  32.771  13.475  1 13.743 ? 45  B 1 .
ATOM 2208 C C    . PHE Bxp B 6   ? 25.453  33.731  12.76   1 13.644 ? 45  B 1 .
ATOM 2209 O O    . PHE Bxp B 6   ? 24.235  33.648  12.892  1 12.673 ? 45  B 1 .
ATOM 2210 C CB   . PHE Bxp B 6   ? 26.831  31.665  12.508  1 13.43  ? 45  B 1 .
ATOM 2211 C CG   . PHE Bxp B 6   ? 25.702  30.813  11.938  1 13.033 ? 45  B 1 .
ATOM 2212 C CD1  . PHE Bxp B 6   ? 24.885  31.293  10.933  1 13.057 ? 45  B 1 .
ATOM 2213 C CD2  . PHE Bxp B 6   ? 25.474  29.522  12.389  1 12.769 ? 45  B 1 .
ATOM 2214 C CE1  . PHE Bxp B 6   ? 23.864  30.51   10.421  1 13.052 ? 45  B 1 .
ATOM 2215 C CE2  . PHE Bxp B 6   ? 24.473  28.738  11.848  1 12.504 ? 45  B 1 .
ATOM 2216 C CZ   . PHE Bxp B 6   ? 23.685  29.226  10.858  1 12.604 ? 45  B 1 .
ATOM 2217 H H    . PHE Bxp B 6   ? 24.841  32.319  14.726  1 14.025 ? 45  B 1 c
ATOM 2218 H HA   . PHE Bxp B 6   ? 27.206  33.274  13.763  1 13.747 ? 45  B 1 c
ATOM 2219 H HB3  . PHE Bxp B 6   ? 27.463  31.076  12.976  1 13.406 ? 45  B 1 c
ATOM 2220 H HB2  . PHE Bxp B 6   ? 27.317  32.082  11.762  1 13.408 ? 45  B 1 c
ATOM 2221 H HD1  . PHE Bxp B 6   ? 25.011  32.169  10.605  1 13.048 ? 45  B 1 c
ATOM 2222 H HD2  . PHE Bxp B 6   ? 26.031  29.164  13.061  1 12.79  ? 45  B 1 c
ATOM 2223 H HE1  . PHE Bxp B 6   ? 23.319  30.849  9.73    1 12.943 ? 45  B 1 c
ATOM 2224 H HE2  . PHE Bxp B 6   ? 24.335  27.861  12.171  1 12.599 ? 45  B 1 c
ATOM 2225 H HZ   . PHE Bxp B 6   ? 22.982  28.702  10.51   1 12.686 ? 45  B 1 c
ATOM 2226 N N    . VAL Bxp B 7   ? 26.058  34.626  11.973  1 14.632 ? 46  B 1 .
ATOM 2227 C CA   . VAL Bxp B 7   ? 25.326  35.549  11.13   1 15.379 ? 46  B 1 .
ATOM 2228 C C    . VAL Bxp B 7   ? 25.887  35.487  9.716   1 16.781 ? 46  B 1 .
ATOM 2229 O O    . VAL Bxp B 7   ? 27.058  35.781  9.495   1 16.98  ? 46  B 1 .
ATOM 2230 C CB   . VAL Bxp B 7   ? 25.394  36.989  11.651  1 15.187 ? 46  B 1 .
ATOM 2231 C CG1  . VAL Bxp B 7   ? 24.389  37.871  10.924  1 15.428 ? 46  B 1 .
ATOM 2232 C CG2  . VAL Bxp B 7   ? 25.188  37.027  13.154  1 15.529 ? 46  B 1 .
ATOM 2233 H H    . VAL Bxp B 7   ? 26.972  34.659  11.963  1 14.554 ? 46  B 1 c
ATOM 2234 H HA   . VAL Bxp B 7   ? 24.393  35.272  11.108  1 15.48  ? 46  B 1 c
ATOM 2235 H HB   . VAL Bxp B 7   ? 26.299  37.331  11.459  1 15.346 ? 46  B 1 c
ATOM 2236 H HG11 . VAL Bxp B 7   ? 23.529  37.42   10.884  1 15.381 ? 46  B 1 c
ATOM 2237 H HG12 . VAL Bxp B 7   ? 24.703  38.047  10.021  1 15.386 ? 46  B 1 c
ATOM 2238 H HG13 . VAL Bxp B 7   ? 24.29   38.712  11.4    1 15.452 ? 46  B 1 c
ATOM 2239 H HG21 . VAL Bxp B 7   ? 24.967  37.932  13.431  1 15.446 ? 46  B 1 c
ATOM 2240 H HG22 . VAL Bxp B 7   ? 26.003  36.744  13.601  1 15.442 ? 46  B 1 c
ATOM 2241 H HG23 . VAL Bxp B 7   ? 24.462  36.429  13.398  1 15.509 ? 46  B 1 c
ATOM 2242 N N    . LEU Bxp B 8   ? 25.015  35.145  8.765   1 18.494 ? 47  B 1 .
ATOM 2243 C CA   . LEU Bxp B 8   ? 25.327  35.171  7.349   1 19.56  ? 47  B 1 .
ATOM 2244 C C    . LEU Bxp B 8   ? 24.203  35.906  6.631   1 20.475 ? 47  B 1 .
ATOM 2245 O O    . LEU Bxp B 8   ? 23.12   36.027  7.18    1 21.844 ? 47  B 1 .
ATOM 2246 C CB   . LEU Bxp B 8   ? 25.448  33.721  6.874   1 20.078 ? 47  B 1 .
ATOM 2247 C CG   . LEU Bxp B 8   ? 26.519  32.837  7.538   1 19.635 ? 47  B 1 .
ATOM 2248 C CD1  . LEU Bxp B 8   ? 26.353  31.401  7.016   1 19.309 ? 47  B 1 .
ATOM 2249 C CD2  . LEU Bxp B 8   ? 27.96   33.333  7.315   1 19.042 ? 47  B 1 .
ATOM 2250 H H    . LEU Bxp B 8   ? 24.178  34.876  9.016   1 18.265 ? 47  B 1 c
ATOM 2251 H HA   . LEU Bxp B 8   ? 26.183  35.649  7.206   1 19.566 ? 47  B 1 c
ATOM 2252 H HB3  . LEU Bxp B 8   ? 25.621  33.734  5.904   1 19.854 ? 47  B 1 c
ATOM 2253 H HB2  . LEU Bxp B 8   ? 24.573  33.288  7       1 19.854 ? 47  B 1 c
ATOM 2254 H HG   . LEU Bxp B 8   ? 26.347  32.828  8.515   1 19.539 ? 47  B 1 c
ATOM 2255 H HD11 . LEU Bxp B 8   ? 25.584  30.987  7.443   1 19.366 ? 47  B 1 c
ATOM 2256 H HD12 . LEU Bxp B 8   ? 27.151  30.886  7.221   1 19.372 ? 47  B 1 c
ATOM 2257 H HD13 . LEU Bxp B 8   ? 26.218  31.418  6.054   1 19.371 ? 47  B 1 c
ATOM 2258 H HD21 . LEU Bxp B 8   ? 28.008  34.288  7.488   1 19.197 ? 47  B 1 c
ATOM 2259 H HD22 . LEU Bxp B 8   ? 28.225  33.158  6.396   1 19.204 ? 47  B 1 c
ATOM 2260 H HD23 . LEU Bxp B 8   ? 28.561  32.866  7.918   1 19.182 ? 47  B 1 c
ATOM 2261 N N    . GLU Bxp B 9   ? 24.448  36.375  5.408   1 22.875 ? 48  B 1 .
ATOM 2262 C CA   . GLU Bxp B 9   ? 23.386  36.91   4.569   1 26.371 ? 48  B 1 .
ATOM 2263 C C    . GLU Bxp B 9   ? 22.743  35.756  3.813   1 24.75  ? 48  B 1 .
ATOM 2264 O O    . GLU Bxp B 9   ? 23.447  34.877  3.33    1 23.817 ? 48  B 1 .
ATOM 2265 C CB   . GLU Bxp B 9   ? 23.887  37.968  3.582   1 31.904 ? 48  B 1 .
ATOM 2266 C CG   . GLU Bxp B 9   ? 23.935  39.376  4.183   1 39.642 ? 48  B 1 .
ATOM 2267 C CD   . GLU Bxp B 9   ? 25.227  40.182  3.988   1 46.801 ? 48  B 1 .
ATOM 2268 O OE1  . GLU Bxp B 9   ? 25.712  40.318  2.83    1 46.423 ? 48  B 1 .
ATOM 2269 O OE2  . GLU Bxp B 9   ? 25.764  40.678  5.025   1 49.166 ? 48  B 1 .
ATOM 2270 H H    . GLU Bxp B 9   ? 25.302  36.36   5.084   1 23.041 ? 48  B 1 c
ATOM 2271 H HA   . GLU Bxp B 9   ? 22.703  37.325  5.155   1 26.318 ? 48  B 1 c
ATOM 2272 H HB3  . GLU Bxp B 9   ? 23.295  37.979  2.8     1 32.051 ? 48  B 1 c
ATOM 2273 H HB2  . GLU Bxp B 9   ? 24.783  37.717  3.275   1 32.08  ? 48  B 1 c
ATOM 2274 H HG3  . GLU Bxp B 9   ? 23.767  39.308  5.146   1 38.997 ? 48  B 1 c
ATOM 2275 H HG2  . GLU Bxp B 9   ? 23.2    39.896  3.806   1 39.036 ? 48  B 1 c
ATOM 2276 N N    . ASP Bxp B 10  ? 21.408  35.753  3.736   1 23.445 ? 49  B 1 .
ATOM 2277 C CA   . ASP Bxp B 10  ? 20.709  34.808  2.888   1 23.292 ? 49  B 1 .
ATOM 2278 C C    . ASP Bxp B 10  ? 20.924  35.266  1.452   1 23.358 ? 49  B 1 .
ATOM 2279 O O    . ASP Bxp B 10  ? 21.673  36.212  1.244   1 23.379 ? 49  B 1 .
ATOM 2280 C CB   . ASP Bxp B 10  ? 19.248  34.721  3.283   1 23.917 ? 49  B 1 .
ATOM 2281 C CG   . ASP Bxp B 10  ? 18.426  35.931  2.878   1 25.072 ? 49  B 1 .
ATOM 2282 O OD1  . ASP Bxp B 10  ? 18.911  36.698  2.018   1 26.362 ? 49  B 1 .
ATOM 2283 O OD2  . ASP Bxp B 10  ? 17.337  36.116  3.448   1 25.354 ? 49  B 1 .
ATOM 2284 H H    . ASP Bxp B 10  ? 20.923  36.355  4.225   1 23.761 ? 49  B 1 c
ATOM 2285 H HA   . ASP Bxp B 10  ? 21.117  33.925  3.004   1 23.229 ? 49  B 1 c
ATOM 2286 H HB3  . ASP Bxp B 10  ? 19.191  34.625  4.257   1 24.014 ? 49  B 1 c
ATOM 2287 H HB2  . ASP Bxp B 10  ? 18.846  33.925  2.878   1 23.941 ? 49  B 1 c
ATOM 2288 N N    . THR Bxp B 11  ? 20.21   34.649  0.492   1 25.32  ? 50  B 1 .
ATOM 2289 C CA   . THR Bxp B 11  ? 20.367  34.923  -0.934  1 25.008 ? 50  B 1 .
ATOM 2290 C C    . THR Bxp B 11  ? 19.503  36.094  -1.378  1 24.874 ? 50  B 1 .
ATOM 2291 O O    . THR Bxp B 11  ? 19.105  36.121  -2.529  1 25.813 ? 50  B 1 .
ATOM 2292 C CB   . THR Bxp B 11  ? 20.016  33.696  -1.786  1 25.95  ? 50  B 1 .
ATOM 2293 O OG1  . THR Bxp B 11  ? 18.636  33.362  -1.629  1 24.403 ? 50  B 1 .
ATOM 2294 C CG2  . THR Bxp B 11  ? 20.878  32.492  -1.453  1 26.518 ? 50  B 1 .
ATOM 2295 H H    . THR Bxp B 11  ? 19.597  34.019  0.742   1 24.754 ? 50  B 1 c
ATOM 2296 H HA   . THR Bxp B 11  ? 21.308  35.151  -1.098  1 25.193 ? 50  B 1 c
ATOM 2297 H HB   . THR Bxp B 11  ? 20.182  33.916  -2.733  1 25.723 ? 50  B 1 c
ATOM 2298 H HG1  . THR Bxp B 11  ? 18.589  33.023  -0.756  0 16.08  ? 50  B 1 c
ATOM 2299 H HG21 . THR Bxp B 11  ? 20.738  31.798  -2.119  1 26.348 ? 50  B 1 c
ATOM 2300 H HG22 . THR Bxp B 11  ? 20.636  32.151  -0.576  1 26.344 ? 50  B 1 c
ATOM 2301 H HG23 . THR Bxp B 11  ? 21.814  32.753  -1.451  1 26.348 ? 50  B 1 c
ATOM 2302 N N    . ASN Bxp B 12  ? 19.183  37.034  -0.485  1 26.678 ? 51  B 1 .
ATOM 2303 C CA   . ASN Bxp B 12  ? 18.746  38.358  -0.91   1 27.785 ? 51  B 1 .
ATOM 2304 C C    . ASN Bxp B 12  ? 19.399  39.387  0.005   1 29.261 ? 51  B 1 .
ATOM 2305 O O    . ASN Bxp B 12  ? 18.757  40.338  0.423   1 30.161 ? 51  B 1 .
ATOM 2306 C CB   . ASN Bxp B 12  ? 17.229  38.512  -0.912  1 26.981 ? 51  B 1 .
ATOM 2307 C CG   . ASN Bxp B 12  ? 16.505  37.193  -0.804  1 26.578 ? 51  B 1 .
ATOM 2308 O OD1  . ASN Bxp B 12  ? 16.348  36.485  -1.8    1 25.227 ? 51  B 1 .
ATOM 2309 N ND2  . ASN Bxp B 12  ? 16.023  36.864  0.387   1 26.519 ? 51  B 1 .
ATOM 2310 H H    . ASN Bxp B 12  ? 19.221  36.849  0.408   1 26.487 ? 51  B 1 c
ATOM 2311 H HA   . ASN Bxp B 12  ? 19.063  38.513  -1.829  1 27.651 ? 51  B 1 c
ATOM 2312 H HB3  . ASN Bxp B 12  ? 16.956  38.956  -1.74   1 27.072 ? 51  B 1 c
ATOM 2313 H HB2  . ASN Bxp B 12  ? 16.959  39.081  -0.164  1 27.093 ? 51  B 1 c
ATOM 2314 H HD21 . ASN Bxp B 12  ? 15.298  36.356  0.445   1 26.537 ? 51  B 1 c
ATOM 2315 H HD22 . ASN Bxp B 12  ? 16.426  37.151  1.123   1 26.536 ? 51  B 1 c
ATOM 2316 N N    . GLY Bxp B 13  ? 20.666  39.142  0.362   1 32.453 ? 52  B 1 .
ATOM 2317 C CA   . GLY Bxp B 13  ? 21.467  40.051  1.171   1 32.556 ? 52  B 1 .
ATOM 2318 C C    . GLY Bxp B 13  ? 20.886  40.338  2.556   1 30.757 ? 52  B 1 .
ATOM 2319 O O    . GLY Bxp B 13  ? 21.339  41.273  3.219   1 29.959 ? 52  B 1 .
ATOM 2320 H H    . GLY Bxp B 13  ? 21.057  38.367  0.077   1 31.615 ? 52  B 1 c
ATOM 2321 H HA3  . GLY Bxp B 13  ? 21.565  40.902  0.682   1 32.121 ? 52  B 1 c
ATOM 2322 H HA2  . GLY Bxp B 13  ? 22.368  39.665  1.276   1 32.121 ? 52  B 1 c
ATOM 2323 N N    . LYS Bxp B 14  ? 19.922  39.521  3       1 29.602 ? 53  B 1 .
ATOM 2324 C CA   . LYS Bxp B 14  ? 19.248  39.753  4.267   1 31.051 ? 53  B 1 .
ATOM 2325 C C    . LYS Bxp B 14  ? 19.939  38.945  5.366   1 30.469 ? 53  B 1 .
ATOM 2326 O O    . LYS Bxp B 14  ? 20.085  37.73   5.221   1 28.842 ? 53  B 1 .
ATOM 2327 C CB   . LYS Bxp B 14  ? 17.767  39.402  4.13    1 33.765 ? 53  B 1 .
ATOM 2328 C CG   . LYS Bxp B 14  ? 16.963  39.605  5.401   1 37.945 ? 53  B 1 .
ATOM 2329 C CD   . LYS Bxp B 14  ? 16.019  38.448  5.711   1 42.489 ? 53  B 1 .
ATOM 2330 C CE   . LYS Bxp B 14  ? 15.879  38.271  7.193   1 46.102 ? 53  B 1 .
ATOM 2331 N NZ   . LYS Bxp B 14  ? 14.913  37.221  7.514   1 47.629 ? 53  B 1 .
ATOM 2332 H H    . LYS Bxp B 14  ? 19.693  38.783  2.512   1 30.244 ? 53  B 1 c
ATOM 2333 H HA   . LYS Bxp B 14  ? 19.318  40.716  4.488   1 31.116 ? 53  B 1 c
ATOM 2334 H HB3  . LYS Bxp B 14  ? 17.689  38.466  3.853   1 34.017 ? 53  B 1 c
ATOM 2335 H HB2  . LYS Bxp B 14  ? 17.375  39.957  3.422   1 34.028 ? 53  B 1 c
ATOM 2336 H HG3  . LYS Bxp B 14  ? 16.438  40.429  5.31    1 37.904 ? 53  B 1 c
ATOM 2337 H HG2  . LYS Bxp B 14  ? 17.582  39.726  6.153   1 37.907 ? 53  B 1 c
ATOM 2338 H HD3  . LYS Bxp B 14  ? 16.369  37.619  5.319   1 41.965 ? 53  B 1 c
ATOM 2339 H HD2  . LYS Bxp B 14  ? 15.137  38.632  5.32    1 42.16  ? 53  B 1 c
ATOM 2340 H HE3  . LYS Bxp B 14  ? 15.585  39.108  7.595   1 45.593 ? 53  B 1 c
ATOM 2341 H HE2  . LYS Bxp B 14  ? 16.742  38.035  7.577   1 45.549 ? 53  B 1 c
ATOM 2342 H HZ1  . LYS Bxp B 14  ? 15.177  36.438  7.143   1 47.154 ? 53  B 1 c
ATOM 2343 H HZ2  . LYS Bxp B 14  ? 14.098  37.445  7.187   1 47.154 ? 53  B 1 c
ATOM 2344 H HZ3  . LYS Bxp B 14  ? 14.856  37.121  8.413   1 47.154 ? 53  B 1 c
ATOM 2345 N N    . ARG Bxp B 15  ? 20.341  39.631  6.46    1 30.69  ? 54  B 1 .
ATOM 2346 C CA   . ARG Bxp B 15  ? 21.173  39.05   7.511   1 29.911 ? 54  B 1 .
ATOM 2347 C C    . ARG Bxp B 15  ? 20.318  38.173  8.428   1 27.697 ? 54  B 1 .
ATOM 2348 O O    . ARG Bxp B 15  ? 19.295  38.62   8.948   1 26.366 ? 54  B 1 .
ATOM 2349 C CB   . ARG Bxp B 15  ? 21.97   40.104  8.293   1 32.794 ? 54  B 1 .
ATOM 2350 C CG   . ARG Bxp B 15  ? 23.208  40.658  7.583   1 37.999 ? 54  B 1 .
ATOM 2351 C CD   . ARG Bxp B 15  ? 24.058  41.718  8.349   1 40.788 ? 54  B 1 .
ATOM 2352 N NE   . ARG Bxp B 15  ? 25.221  41.227  9.113   1 44.705 ? 54  B 1 .
ATOM 2353 C CZ   . ARG Bxp B 15  ? 25.401  41.249  10.456  1 46.332 ? 54  B 1 .
ATOM 2354 N NH1  . ARG Bxp B 15  ? 24.467  41.723  11.268  1 46.727 ? 54  B 1 .
ATOM 2355 N NH2  . ARG Bxp B 15  ? 26.512  40.767  11.001  1 43.395 ? 54  B 1 .
ATOM 2356 H H    . ARG Bxp B 15  ? 20.079  40.502  6.55    1 30.49  ? 54  B 1 c
ATOM 2357 H HA   . ARG Bxp B 15  ? 21.839  38.465  7.07    1 30.062 ? 54  B 1 c
ATOM 2358 H HB3  . ARG Bxp B 15  ? 22.253  39.708  9.145   1 33.177 ? 54  B 1 c
ATOM 2359 H HB2  . ARG Bxp B 15  ? 21.371  40.852  8.502   1 33.188 ? 54  B 1 c
ATOM 2360 H HG3  . ARG Bxp B 15  ? 22.923  41.051  6.73    1 37.325 ? 54  B 1 c
ATOM 2361 H HG2  . ARG Bxp B 15  ? 23.794  39.903  7.358   1 37.334 ? 54  B 1 c
ATOM 2362 H HD3  . ARG Bxp B 15  ? 23.458  42.192  8.961   1 41.087 ? 54  B 1 c
ATOM 2363 H HD2  . ARG Bxp B 15  ? 24.372  42.374  7.693   1 41.043 ? 54  B 1 c
ATOM 2364 H HE   . ARG Bxp B 15  ? 25.872  40.88   8.65    1 44.132 ? 54  B 1 c
ATOM 2365 H HH11 . ARG Bxp B 15  ? 23.662  41.359  11.271  1 46.605 ? 54  B 1 c
ATOM 2366 H HH12 . ARG Bxp B 15  ? 24.654  42.402  11.803  1 46.605 ? 54  B 1 c
ATOM 2367 H HH21 . ARG Bxp B 15  ? 26.868  40.022  10.686  1 44.279 ? 54  B 1 c
ATOM 2368 H HH22 . ARG Bxp B 15  ? 26.891  41.194  11.676  1 44.279 ? 54  B 1 c
ATOM 2369 N N    . ILE Bxp B 16  ? 20.753  36.909  8.591   1 26.02  ? 55  B 1 .
ATOM 2370 C CA   . ILE Bxp B 16  ? 20.082  35.914  9.416   1 24.648 ? 55  B 1 .
ATOM 2371 C C    . ILE Bxp B 16  ? 21.009  35.473  10.542  1 23.688 ? 55  B 1 .
ATOM 2372 O O    . ILE Bxp B 16  ? 22.115  35.01   10.283  1 21.645 ? 55  B 1 .
ATOM 2373 C CB   . ILE Bxp B 16  ? 19.645  34.691  8.596   1 24.595 ? 55  B 1 .
ATOM 2374 C CG1  . ILE Bxp B 16  ? 18.771  35.098  7.417   1 26.512 ? 55  B 1 .
ATOM 2375 C CG2  . ILE Bxp B 16  ? 18.956  33.657  9.495   1 24.013 ? 55  B 1 .
ATOM 2376 C CD1  . ILE Bxp B 16  ? 17.88   33.989  6.877   1 27.101 ? 55  B 1 .
ATOM 2377 H H    . ILE Bxp B 16  ? 21.518  36.657  8.16    1 26.146 ? 55  B 1 c
ATOM 2378 H HA   . ILE Bxp B 16  ? 19.285  36.321  9.807   1 24.736 ? 55  B 1 c
ATOM 2379 H HB   . ILE Bxp B 16  ? 20.453  34.277  8.234   1 24.844 ? 55  B 1 c
ATOM 2380 H HG12 . ILE Bxp B 16  ? 19.351  35.413  6.693   1 26.191 ? 55  B 1 c
ATOM 2381 H HG13 . ILE Bxp B 16  ? 18.205  35.848  7.691   1 26.184 ? 55  B 1 c
ATOM 2382 H HG21 . ILE Bxp B 16  ? 18.925  32.798  9.041   1 24.221 ? 55  B 1 c
ATOM 2383 H HG22 . ILE Bxp B 16  ? 18.05   33.949  9.693   1 24.22  ? 55  B 1 c
ATOM 2384 H HG23 . ILE Bxp B 16  ? 19.45   33.559  10.325  1 24.194 ? 55  B 1 c
ATOM 2385 H HD11 . ILE Bxp B 16  ? 18.394  33.164  6.795   1 26.883 ? 55  B 1 c
ATOM 2386 H HD12 . ILE Bxp B 16  ? 17.542  34.247  5.999   1 26.909 ? 55  B 1 c
ATOM 2387 H HD13 . ILE Bxp B 16  ? 17.128  33.844  7.482   1 26.883 ? 55  B 1 c
ATOM 2388 N N    . GLU Bxp B 17  ? 20.513  35.577  11.783  1 24.229 ? 56  B 1 .
ATOM 2389 C CA   . GLU Bxp B 17  ? 21.258  35.149  12.952  1 24.791 ? 56  B 1 .
ATOM 2390 C C    . GLU Bxp B 17  ? 20.541  33.973  13.606  1 22.36  ? 56  B 1 .
ATOM 2391 O O    . GLU Bxp B 17  ? 19.332  34.004  13.821  1 20.034 ? 56  B 1 .
ATOM 2392 C CB   . GLU Bxp B 17  ? 21.414  36.336  13.89   1 28.652 ? 56  B 1 .
ATOM 2393 C CG   . GLU Bxp B 17  ? 22.108  35.997  15.205  1 33.968 ? 56  B 1 .
ATOM 2394 C CD   . GLU Bxp B 17  ? 22.354  37.228  16.065  1 40.479 ? 56  B 1 .
ATOM 2395 O OE1  . GLU Bxp B 17  ? 21.777  38.296  15.746  1 43.733 ? 56  B 1 .
ATOM 2396 O OE2  . GLU Bxp B 17  ? 23.155  37.137  17.019  1 46.174 ? 56  B 1 .
ATOM 2397 H H    . GLU Bxp B 17  ? 19.678  35.929  11.902  1 24.232 ? 56  B 1 c
ATOM 2398 H HA   . GLU Bxp B 17  ? 22.155  34.856  12.663  1 24.689 ? 56  B 1 c
ATOM 2399 H HB3  . GLU Bxp B 17  ? 20.525  36.7    14.084  1 28.87  ? 56  B 1 c
ATOM 2400 H HB2  . GLU Bxp B 17  ? 21.927  37.032  13.43   1 28.887 ? 56  B 1 c
ATOM 2401 H HG3  . GLU Bxp B 17  ? 22.969  35.566  15.016  1 33.797 ? 56  B 1 c
ATOM 2402 H HG2  . GLU Bxp B 17  ? 21.556  35.365  15.709  1 33.813 ? 56  B 1 c
ATOM 2403 N N    . LEU Bxp B 18  ? 21.305  32.925  13.916  1 20.976 ? 57  B 1 .
ATOM 2404 C CA   . LEU Bxp B 18  ? 20.706  31.659  14.278  1 20.789 ? 57  B 1 .
ATOM 2405 C C    . LEU Bxp B 18  ? 19.917  31.809  15.579  1 22.042 ? 57  B 1 .
ATOM 2406 O O    . LEU Bxp B 18  ? 18.87   31.176  15.756  1 23.01  ? 57  B 1 .
ATOM 2407 C CB   . LEU Bxp B 18  ? 21.802  30.601  14.38   1 19.718 ? 57  B 1 .
ATOM 2408 C CG   . LEU Bxp B 18  ? 21.308  29.198  14.746  1 19.033 ? 57  B 1 .
ATOM 2409 C CD1  . LEU Bxp B 18  ? 20.264  28.726  13.757  1 18.494 ? 57  B 1 .
ATOM 2410 C CD2  . LEU Bxp B 18  ? 22.446  28.212  14.83   1 18.962 ? 57  B 1 .
ATOM 2411 H H    . LEU Bxp B 18  ? 22.216  33.003  13.906  1 21.293 ? 57  B 1 c
ATOM 2412 H HA   . LEU Bxp B 18  ? 20.075  31.403  13.559  1 20.826 ? 57  B 1 c
ATOM 2413 H HB3  . LEU Bxp B 18  ? 22.451  30.892  15.061  1 19.793 ? 57  B 1 c
ATOM 2414 H HB2  . LEU Bxp B 18  ? 22.267  30.552  13.513  1 19.797 ? 57  B 1 c
ATOM 2415 H HG   . LEU Bxp B 18  ? 20.882  29.244  15.641  1 19.054 ? 57  B 1 c
ATOM 2416 H HD11 . LEU Bxp B 18  ? 19.408  29.136  13.967  1 18.677 ? 57  B 1 c
ATOM 2417 H HD12 . LEU Bxp B 18  ? 20.179  27.759  13.809  1 18.661 ? 57  B 1 c
ATOM 2418 H HD13 . LEU Bxp B 18  ? 20.53   28.979  12.857  1 18.664 ? 57  B 1 c
ATOM 2419 H HD21 . LEU Bxp B 18  ? 23.206  28.629  15.267  1 18.947 ? 57  B 1 c
ATOM 2420 H HD22 . LEU Bxp B 18  ? 22.702  27.933  13.934  1 18.936 ? 57  B 1 c
ATOM 2421 H HD23 . LEU Bxp B 18  ? 22.166  27.435  15.342  1 18.967 ? 57  B 1 c
ATOM 2422 N N    . SER Bxp B 19  ? 20.433  32.64   16.494  1 22.216 ? 58  B 1 .
ATOM 2423 C CA   . SER Bxp B 19  ? 19.748  32.922  17.745  1 22.091 ? 58  B 1 .
ATOM 2424 C C    . SER Bxp B 19  ? 18.412  33.644  17.517  1 23.619 ? 58  B 1 .
ATOM 2425 O O    . SER Bxp B 19  ? 17.551  33.612  18.404  1 24.221 ? 58  B 1 .
ATOM 2426 C CB   . SER Bxp B 19  ? 20.62   33.724  18.641  1 21.564 ? 58  B 1 .
ATOM 2427 O OG   . SER Bxp B 19  ? 21.035  34.92   17.987  1 21.777 ? 58  B 1 .
ATOM 2428 H H    . SER Bxp B 19  ? 21.242  33.036  16.337  1 22.124 ? 58  B 1 c
ATOM 2429 H HA   . SER Bxp B 19  ? 19.557  32.058  18.191  1 22.286 ? 58  B 1 c
ATOM 2430 H HB3  . SER Bxp B 19  ? 21.392  33.195  18.892  1 21.629 ? 58  B 1 c
ATOM 2431 H HB2  . SER Bxp B 19  ? 20.128  33.951  19.453  1 21.724 ? 58  B 1 c
ATOM 2432 H HG   . SER Bxp B 19  ? 21.548  35.324  18.486  0 13.28  ? 58  B 1 c
ATOM 2433 N N    . ASP Bxp B 20  ? 18.25   34.325  16.361  1 23.055 ? 59  B 1 .
ATOM 2434 C CA   . ASP Bxp B 20  ? 16.981  34.947  15.997  1 22.536 ? 59  B 1 .
ATOM 2435 C C    . ASP Bxp B 20  ? 15.868  33.906  15.881  1 21.211 ? 59  B 1 .
ATOM 2436 O O    . ASP Bxp B 20  ? 14.721  34.234  16.132  1 21.942 ? 59  B 1 .
ATOM 2437 C CB   . ASP Bxp B 20  ? 17.035  35.742  14.697  1 24.026 ? 59  B 1 .
ATOM 2438 C CG   . ASP Bxp B 20  ? 17.721  37.105  14.728  1 24.399 ? 59  B 1 .
ATOM 2439 O OD1  . ASP Bxp B 20  ? 18.069  37.566  15.835  1 23.938 ? 59  B 1 .
ATOM 2440 O OD2  . ASP Bxp B 20  ? 17.899  37.698  13.633  1 23.893 ? 59  B 1 .
ATOM 2441 H H    . ASP Bxp B 20  ? 18.96   34.42   15.794  1 23.053 ? 59  B 1 c
ATOM 2442 H HA   . ASP Bxp B 20  ? 16.736  35.575  16.714  1 22.667 ? 59  B 1 c
ATOM 2443 H HB3  . ASP Bxp B 20  ? 16.113  35.896  14.402  1 23.74  ? 59  B 1 c
ATOM 2444 H HB2  . ASP Bxp B 20  ? 17.468  35.199  14.01   1 23.729 ? 59  B 1 c
ATOM 2445 N N    . LEU Bxp B 21  ? 16.193  32.657  15.533  1 20.401 ? 60  B 1 .
ATOM 2446 C CA   . LEU Bxp B 21  ? 15.169  31.65   15.299  1 19.853 ? 60  B 1 .
ATOM 2447 C C    . LEU Bxp B 21  ? 14.822  30.911  16.585  1 20.305 ? 60  B 1 .
ATOM 2448 O O    . LEU Bxp B 21  ? 14.173  29.868  16.529  1 19.373 ? 60  B 1 .
ATOM 2449 C CB   . LEU Bxp B 21  ? 15.63   30.66   14.239  1 20.531 ? 60  B 1 .
ATOM 2450 C CG   . LEU Bxp B 21  ? 15.991  31.25   12.87   1 21.825 ? 60  B 1 .
ATOM 2451 C CD1  . LEU Bxp B 21  ? 16.765  30.225  12.054  1 21.096 ? 60  B 1 .
ATOM 2452 C CD2  . LEU Bxp B 21  ? 14.752  31.723  12.103  1 21.925 ? 60  B 1 .
ATOM 2453 H H    . LEU Bxp B 21  ? 17.07   32.426  15.425  1 20.52  ? 60  B 1 c
ATOM 2454 H HA   . LEU Bxp B 21  ? 14.352  32.107  14.973  1 20.18  ? 60  B 1 c
ATOM 2455 H HB3  . LEU Bxp B 21  ? 14.916  29.994  14.108  1 20.657 ? 60  B 1 c
ATOM 2456 H HB2  . LEU Bxp B 21  ? 16.418  30.183  14.588  1 20.664 ? 60  B 1 c
ATOM 2457 H HG   . LEU Bxp B 21  ? 16.58   32.034  13.016  1 21.457 ? 60  B 1 c
ATOM 2458 H HD11 . LEU Bxp B 21  ? 17.587  29.994  12.518  1 21.305 ? 60  B 1 c
ATOM 2459 H HD12 . LEU Bxp B 21  ? 16.98   30.599  11.183  1 21.311 ? 60  B 1 c
ATOM 2460 H HD13 . LEU Bxp B 21  ? 16.224  29.426  11.938  1 21.308 ? 60  B 1 c
ATOM 2461 H HD21 . LEU Bxp B 21  ? 14.404  32.532  12.515  1 21.871 ? 60  B 1 c
ATOM 2462 H HD22 . LEU Bxp B 21  ? 14.071  31.03   12.127  1 21.799 ? 60  B 1 c
ATOM 2463 H HD23 . LEU Bxp B 21  ? 14.992  31.908  11.18   1 21.865 ? 60  B 1 c
ATOM 2464 N N    . LYS Bxp B 22  ? 15.237  31.44   17.743  1 21.964 ? 61  B 1 .
ATOM 2465 C CA   . LYS Bxp B 22  ? 14.788  30.872  19.005  1 23.18  ? 61  B 1 .
ATOM 2466 C C    . LYS Bxp B 22  ? 13.273  30.983  19.08   1 21.479 ? 61  B 1 .
ATOM 2467 O O    . LYS Bxp B 22  ? 12.701  32.024  18.736  1 20.106 ? 61  B 1 .
ATOM 2468 C CB   . LYS Bxp B 22  ? 15.424  31.452  20.275  1 24.927 ? 61  B 1 .
ATOM 2469 C CG   . LYS Bxp B 22  ? 16.463  30.533  20.906  1 25.78  ? 61  B 1 .
ATOM 2470 C CD   . LYS Bxp B 22  ? 17.62   31.282  21.545  1 28.476 ? 61  B 1 .
ATOM 2471 C CE   . LYS Bxp B 22  ? 18.829  30.413  21.659  1 31.361 ? 61  B 1 .
ATOM 2472 N NZ   . LYS Bxp B 22  ? 19.966  31.249  22.05   1 32.961 ? 61  B 1 .
ATOM 2473 H H    . LYS Bxp B 22  ? 15.812  32.15   17.752  1 21.812 ? 61  B 1 c
ATOM 2474 H HA   . LYS Bxp B 22  ? 15.016  29.908  18.987  1 22.887 ? 61  B 1 c
ATOM 2475 H HB3  . LYS Bxp B 22  ? 14.72   31.629  20.935  1 24.694 ? 61  B 1 c
ATOM 2476 H HB2  . LYS Bxp B 22  ? 15.85   32.308  20.055  1 24.728 ? 61  B 1 c
ATOM 2477 H HG3  . LYS Bxp B 22  ? 16.813  29.931  20.215  1 26.183 ? 61  B 1 c
ATOM 2478 H HG2  . LYS Bxp B 22  ? 16.021  29.983  21.589  1 26.172 ? 61  B 1 c
ATOM 2479 H HD3  . LYS Bxp B 22  ? 17.355  31.587  22.44   1 28.468 ? 61  B 1 c
ATOM 2480 H HD2  . LYS Bxp B 22  ? 17.84   32.07   21.002  1 28.448 ? 61  B 1 c
ATOM 2481 H HE3  . LYS Bxp B 22  ? 19.021  29.983  20.807  1 30.997 ? 61  B 1 c
ATOM 2482 H HE2  . LYS Bxp B 22  ? 18.686  29.727  22.334  1 30.991 ? 61  B 1 c
ATOM 2483 H HZ1  . LYS Bxp B 22  ? 19.774  31.694  22.816  1 32.422 ? 61  B 1 c
ATOM 2484 H HZ2  . LYS Bxp B 22  ? 20.149  31.847  21.395  1 32.401 ? 61  B 1 c
ATOM 2485 H HZ3  . LYS Bxp B 22  ? 20.695  30.728  22.186  1 32.442 ? 61  B 1 c
ATOM 2486 N N    . GLY Bxp B 23  ? 12.683  29.87   19.546  1 20.07  ? 62  B 1 .
ATOM 2487 C CA   . GLY Bxp B 23  ? 11.25   29.669  19.575  1 19.088 ? 62  B 1 .
ATOM 2488 C C    . GLY Bxp B 23  ? 10.865  28.619  18.548  1 18.345 ? 62  B 1 .
ATOM 2489 O O    . GLY Bxp B 23  ? 9.954   27.844  18.789  1 18.415 ? 62  B 1 .
ATOM 2490 H H    . GLY Bxp B 23  ? 13.214  29.201  19.871  1 20.208 ? 62  B 1 c
ATOM 2491 H HA3  . GLY Bxp B 23  ? 10.79   30.518  19.376  1 19.164 ? 62  B 1 c
ATOM 2492 H HA2  . GLY Bxp B 23  ? 10.978  29.374  20.475  1 19.151 ? 62  B 1 c
ATOM 2493 N N    . LYS Bxp B 24  ? 11.574  28.608  17.417  1 17.986 ? 63  B 1 .
ATOM 2494 C CA   . LYS Bxp B 24  ? 11.308  27.658  16.353  1 17.436 ? 63  B 1 .
ATOM 2495 C C    . LYS Bxp B 24  ? 12.361  26.559  16.351  1 14.937 ? 63  B 1 .
ATOM 2496 O O    . LYS Bxp B 24  ? 13.475  26.774  16.816  1 15.606 ? 63  B 1 .
ATOM 2497 C CB   . LYS Bxp B 24  ? 11.373  28.384  15.007  1 19.159 ? 63  B 1 .
ATOM 2498 C CG   . LYS Bxp B 24  ? 10.243  29.323  14.687  1 20.489 ? 63  B 1 .
ATOM 2499 C CD   . LYS Bxp B 24  ? 10.789  30.398  13.76   1 23.505 ? 63  B 1 .
ATOM 2500 C CE   . LYS Bxp B 24  ? 9.77    31.385  13.322  1 27.183 ? 63  B 1 .
ATOM 2501 N NZ   . LYS Bxp B 24  ? 8.76    30.678  12.529  1 30.027 ? 63  B 1 .
ATOM 2502 H H    . LYS Bxp B 24  ? 12.242  29.219  17.299  1 18.001 ? 63  B 1 c
ATOM 2503 H HA   . LYS Bxp B 24  ? 10.41   27.261  16.484  1 17.325 ? 63  B 1 c
ATOM 2504 H HB3  . LYS Bxp B 24  ? 11.415  27.709  14.297  1 18.979 ? 63  B 1 c
ATOM 2505 H HB2  . LYS Bxp B 24  ? 12.212  28.892  14.976  1 19.082 ? 63  B 1 c
ATOM 2506 H HG3  . LYS Bxp B 24  ? 9.906   29.729  15.515  1 20.827 ? 63  B 1 c
ATOM 2507 H HG2  . LYS Bxp B 24  ? 9.52    28.828  14.246  1 20.9   ? 63  B 1 c
ATOM 2508 H HD3  . LYS Bxp B 24  ? 11.177  29.967  12.968  1 23.574 ? 63  B 1 c
ATOM 2509 H HD2  . LYS Bxp B 24  ? 11.512  30.876  14.222  1 23.539 ? 63  B 1 c
ATOM 2510 H HE3  . LYS Bxp B 24  ? 10.183  32.08   12.78   1 26.914 ? 63  B 1 c
ATOM 2511 H HE2  . LYS Bxp B 24  ? 9.345   31.797  14.095  1 26.914 ? 63  B 1 c
ATOM 2512 H HZ1  . LYS Bxp B 24  ? 8.181   30.247  13.075  1 28.978 ? 63  B 1 c
ATOM 2513 H HZ2  . LYS Bxp B 24  ? 9.153   30.077  11.975  1 29.007 ? 63  B 1 c
ATOM 2514 H HZ3  . LYS Bxp B 24  ? 8.298   31.276  12.029  1 29.072 ? 63  B 1 c
ATOM 2515 N N    . GLY Bxp B 25  ? 11.992  25.402  15.797  1 12.828 ? 64  B 1 .
ATOM 2516 C CA   . GLY Bxp B 25  ? 12.93   24.328  15.528  1 12.086 ? 64  B 1 .
ATOM 2517 C C    . GLY Bxp B 25  ? 13.684  24.581  14.23   1 11.183 ? 64  B 1 .
ATOM 2518 O O    . GLY Bxp B 25  ? 13.142  25.078  13.255  1 11.452 ? 64  B 1 .
ATOM 2519 H H    . GLY Bxp B 25  ? 11.115  25.282  15.568  1 13.219 ? 64  B 1 c
ATOM 2520 H HA3  . GLY Bxp B 25  ? 12.438  23.478  15.462  1 12.056 ? 64  B 1 c
ATOM 2521 H HA2  . GLY Bxp B 25  ? 13.568  24.255  16.276  1 12.08  ? 64  B 1 c
ATOM 2522 N N    . VAL Bxp B 26  ? 14.96   24.25   14.196  1 10.512 ? 65  B 1 .
ATOM 2523 C CA   . VAL Bxp B 26  ? 15.744  24.647  13.044  1 9.882  ? 65  B 1 .
ATOM 2524 C C    . VAL Bxp B 26  ? 16.407  23.426  12.424  1 9.701  ? 65  B 1 .
ATOM 2525 O O    . VAL Bxp B 26  ? 17.105  22.669  13.096  1 9.162  ? 65  B 1 .
ATOM 2526 C CB   . VAL Bxp B 26  ? 16.745  25.736  13.443  1 9.424  ? 65  B 1 .
ATOM 2527 C CG1  . VAL Bxp B 26  ? 17.739  25.977  12.336  1 9.532  ? 65  B 1 .
ATOM 2528 C CG2  . VAL Bxp B 26  ? 16.028  27.021  13.807  1 9.344  ? 65  B 1 .
ATOM 2529 H H    . VAL Bxp B 26  ? 15.349  23.781  14.877  1 10.543 ? 65  B 1 c
ATOM 2530 H HA   . VAL Bxp B 26  ? 15.139  25.03   12.385  1 9.908  ? 65  B 1 c
ATOM 2531 H HB   . VAL Bxp B 26  ? 17.232  25.415  14.237  1 9.53   ? 65  B 1 c
ATOM 2532 H HG11 . VAL Bxp B 26  ? 17.284  25.948  11.477  1 9.503  ? 65  B 1 c
ATOM 2533 H HG12 . VAL Bxp B 26  ? 18.427  25.291  12.36   1 9.501  ? 65  B 1 c
ATOM 2534 H HG13 . VAL Bxp B 26  ? 18.151  26.85   12.452  1 9.499  ? 65  B 1 c
ATOM 2535 H HG21 . VAL Bxp B 26  ? 16.681  27.711  14.013  1 9.372  ? 65  B 1 c
ATOM 2536 H HG22 . VAL Bxp B 26  ? 15.463  26.87   14.584  1 9.381  ? 65  B 1 c
ATOM 2537 H HG23 . VAL Bxp B 26  ? 15.478  27.309  13.059  1 9.371  ? 65  B 1 c
ATOM 2538 N N    . PHE Bxp B 27  ? 16.133  23.262  11.126  1 10.01  ? 66  B 1 .
ATOM 2539 C CA   . PHE Bxp B 27  ? 16.756  22.255  10.287  1 10.361 ? 66  B 1 .
ATOM 2540 C C    . PHE Bxp B 27  ? 17.991  22.865  9.638   1 10.536 ? 66  B 1 .
ATOM 2541 O O    . PHE Bxp B 27  ? 17.904  23.432  8.55    1 10.554 ? 66  B 1 .
ATOM 2542 C CB   . PHE Bxp B 27  ? 15.735  21.814  9.238   1 10.597 ? 66  B 1 .
ATOM 2543 C CG   . PHE Bxp B 27  ? 15.981  20.427  8.658   1 10.807 ? 66  B 1 .
ATOM 2544 C CD1  . PHE Bxp B 27  ? 15.414  19.298  9.238   1 10.779 ? 66  B 1 .
ATOM 2545 C CD2  . PHE Bxp B 27  ? 16.749  20.253  7.516   1 10.821 ? 66  B 1 .
ATOM 2546 C CE1  . PHE Bxp B 27  ? 15.64   18.038  8.71    1 10.428 ? 66  B 1 .
ATOM 2547 C CE2  . PHE Bxp B 27  ? 16.946  18.985  6.985   1 10.729 ? 66  B 1 .
ATOM 2548 C CZ   . PHE Bxp B 27  ? 16.403  17.885  7.596   1 10.352 ? 66  B 1 .
ATOM 2549 H H    . PHE Bxp B 27  ? 15.517  23.817  10.741  1 10.02  ? 66  B 1 c
ATOM 2550 H HA   . PHE Bxp B 27  ? 17.019  21.474  10.843  1 10.361 ? 66  B 1 c
ATOM 2551 H HB3  . PHE Bxp B 27  ? 15.733  22.468  8.506   1 10.603 ? 66  B 1 c
ATOM 2552 H HB2  . PHE Bxp B 27  ? 14.842  21.828  9.649   1 10.586 ? 66  B 1 c
ATOM 2553 H HD1  . PHE Bxp B 27  ? 14.892  19.39   10.019  1 10.699 ? 66  B 1 c
ATOM 2554 H HD2  . PHE Bxp B 27  ? 17.134  21.005  7.093   1 10.789 ? 66  B 1 c
ATOM 2555 H HE1  . PHE Bxp B 27  ? 15.256  17.281  9.122   1 10.496 ? 66  B 1 c
ATOM 2556 H HE2  . PHE Bxp B 27  ? 17.482  18.878  6.215   1 10.659 ? 66  B 1 c
ATOM 2557 H HZ   . PHE Bxp B 27  ? 16.543  17.026  7.232   1 10.464 ? 66  B 1 c
ATOM 2558 N N    . LEU Bxp B 28  ? 19.128  22.766  10.333  1 10.936 ? 67  B 1 .
ATOM 2559 C CA   . LEU Bxp B 28  ? 20.369  23.38   9.892   1 11.233 ? 67  B 1 .
ATOM 2560 C C    . LEU Bxp B 28  ? 21.17   22.41   9.023   1 10.879 ? 67  B 1 .
ATOM 2561 O O    . LEU Bxp B 28  ? 21.792  21.474  9.502   1 10.286 ? 67  B 1 .
ATOM 2562 C CB   . LEU Bxp B 28  ? 21.188  23.856  11.083  1 11.728 ? 67  B 1 .
ATOM 2563 C CG   . LEU Bxp B 28  ? 22.466  24.62   10.716  1 12.158 ? 67  B 1 .
ATOM 2564 C CD1  . LEU Bxp B 28  ? 22.084  25.888  9.97    1 12.319 ? 67  B 1 .
ATOM 2565 C CD2  . LEU Bxp B 28  ? 23.287  24.968  11.948  1 12.254 ? 67  B 1 .
ATOM 2566 H H    . LEU Bxp B 28  ? 19.129  22.295  11.117  1 10.902 ? 67  B 1 c
ATOM 2567 H HA   . LEU Bxp B 28  ? 20.133  24.166  9.34    1 11.212 ? 67  B 1 c
ATOM 2568 H HB3  . LEU Bxp B 28  ? 21.436  23.071  11.623  1 11.723 ? 67  B 1 c
ATOM 2569 H HB2  . LEU Bxp B 28  ? 20.62   24.442  11.635  1 11.717 ? 67  B 1 c
ATOM 2570 H HG   . LEU Bxp B 28  ? 23.017  24.052  10.119  1 12.119 ? 67  B 1 c
ATOM 2571 H HD11 . LEU Bxp B 28  ? 21.832  25.666  9.06    1 12.257 ? 67  B 1 c
ATOM 2572 H HD12 . LEU Bxp B 28  ? 22.841  26.496  9.955   1 12.269 ? 67  B 1 c
ATOM 2573 H HD13 . LEU Bxp B 28  ? 21.334  26.317  10.418  1 12.262 ? 67  B 1 c
ATOM 2574 H HD21 . LEU Bxp B 28  ? 23.5    24.156  12.437  1 12.226 ? 67  B 1 c
ATOM 2575 H HD22 . LEU Bxp B 28  ? 22.777  25.565  12.52   1 12.226 ? 67  B 1 c
ATOM 2576 H HD23 . LEU Bxp B 28  ? 24.111  25.407  11.676  1 12.226 ? 67  B 1 c
ATOM 2577 N N    . ASN Bxp B 29  ? 21.2    22.726  7.732   1 11.243 ? 68  B 1 .
ATOM 2578 C CA   . ASN Bxp B 29  ? 21.678  21.834  6.704   1 11.462 ? 68  B 1 .
ATOM 2579 C C    . ASN Bxp B 29  ? 22.87   22.453  5.995   1 10.513 ? 68  B 1 .
ATOM 2580 O O    . ASN Bxp B 29  ? 22.735  23.488  5.349   1 10.495 ? 68  B 1 .
ATOM 2581 C CB   . ASN Bxp B 29  ? 20.59   21.61   5.673   1 12.962 ? 68  B 1 .
ATOM 2582 C CG   . ASN Bxp B 29  ? 21.006  20.544  4.7     1 14.667 ? 68  B 1 .
ATOM 2583 O OD1  . ASN Bxp B 29  ? 21.139  19.382  5.102   1 17.905 ? 68  B 1 .
ATOM 2584 N ND2  . ASN Bxp B 29  ? 21.222  20.911  3.446   1 14.839 ? 68  B 1 .
ATOM 2585 H H    . ASN Bxp B 29  ? 20.907  23.554  7.479   1 11.205 ? 68  B 1 c
ATOM 2586 H HA   . ASN Bxp B 29  ? 21.923  20.967  7.099   1 11.51  ? 68  B 1 c
ATOM 2587 H HB3  . ASN Bxp B 29  ? 20.413  22.443  5.194   1 12.961 ? 68  B 1 c
ATOM 2588 H HB2  . ASN Bxp B 29  ? 19.767  21.334  6.124   1 12.967 ? 68  B 1 c
ATOM 2589 H HD21 . ASN Bxp B 29  ? 21.564  20.329  2.871   1 14.752 ? 68  B 1 c
ATOM 2590 H HD22 . ASN Bxp B 29  ? 21.026  21.734  3.178   1 14.749 ? 68  B 1 c
ATOM 2591 N N    . PHE Bxp B 30  ? 24.03   21.816  6.14    1 9.907  ? 69  B 1 .
ATOM 2592 C CA   . PHE Bxp B 30  ? 25.223  22.212  5.417   1 9.757  ? 69  B 1 .
ATOM 2593 C C    . PHE Bxp B 30  ? 25.228  21.477  4.082   1 9.941  ? 69  B 1 .
ATOM 2594 O O    . PHE Bxp B 30  ? 24.914  20.294  4.041   1 9.901  ? 69  B 1 .
ATOM 2595 C CB   . PHE Bxp B 30  ? 26.478  21.903  6.231   1 9.511  ? 69  B 1 .
ATOM 2596 C CG   . PHE Bxp B 30  ? 26.641  22.852  7.401   1 9.331  ? 69  B 1 .
ATOM 2597 C CD1  . PHE Bxp B 30  ? 27.198  24.112  7.221   1 9.319  ? 69  B 1 .
ATOM 2598 C CD2  . PHE Bxp B 30  ? 26.219  22.499  8.673   1 9.278  ? 69  B 1 .
ATOM 2599 C CE1  . PHE Bxp B 30  ? 27.32   24.997  8.289   1 9.208  ? 69  B 1 .
ATOM 2600 C CE2  . PHE Bxp B 30  ? 26.369  23.384  9.736   1 9.197  ? 69  B 1 .
ATOM 2601 C CZ   . PHE Bxp B 30  ? 26.909  24.63   9.545   1 8.955  ? 69  B 1 .
ATOM 2602 H H    . PHE Bxp B 30  ? 24.082  21.106  6.714   1 10.028 ? 69  B 1 c
ATOM 2603 H HA   . PHE Bxp B 30  ? 25.186  23.189  5.249   1 9.789  ? 69  B 1 c
ATOM 2604 H HB3  . PHE Bxp B 30  ? 27.263  21.976  5.644   1 9.527  ? 69  B 1 c
ATOM 2605 H HB2  . PHE Bxp B 30  ? 26.421  20.981  6.566   1 9.528  ? 69  B 1 c
ATOM 2606 H HD1  . PHE Bxp B 30  ? 27.477  24.378  6.359   1 9.294  ? 69  B 1 c
ATOM 2607 H HD2  . PHE Bxp B 30  ? 25.841  21.647  8.821   1 9.314  ? 69  B 1 c
ATOM 2608 H HE1  . PHE Bxp B 30  ? 27.706  25.847  8.151   1 9.217  ? 69  B 1 c
ATOM 2609 H HE2  . PHE Bxp B 30  ? 26.078  23.129  10.597  1 9.161  ? 69  B 1 c
ATOM 2610 H HZ   . PHE Bxp B 30  ? 27.007  25.224  10.272  1 9.076  ? 69  B 1 c
ATOM 2611 N N    . TRP Bxp B 31  ? 25.57   22.191  3.002   1 10.157 ? 70  B 1 .
ATOM 2612 C CA   . TRP Bxp B 31  ? 25.528  21.618  1.666   1 10.224 ? 70  B 1 .
ATOM 2613 C C    . TRP Bxp B 31  ? 26.434  22.406  0.72    1 10.775 ? 70  B 1 .
ATOM 2614 O O    . TRP Bxp B 31  ? 26.862  23.523  1.006   1 10.818 ? 70  B 1 .
ATOM 2615 C CB   . TRP Bxp B 31  ? 24.091  21.596  1.117   1 9.836  ? 70  B 1 .
ATOM 2616 C CG   . TRP Bxp B 31  ? 23.575  22.969  0.787   1 9.746  ? 70  B 1 .
ATOM 2617 C CD1  . TRP Bxp B 31  ? 23.159  23.928  1.667   1 10.042 ? 70  B 1 .
ATOM 2618 C CD2  . TRP Bxp B 31  ? 23.458  23.551  -0.519  1 9.764  ? 70  B 1 .
ATOM 2619 N NE1  . TRP Bxp B 31  ? 22.788  25.058  0.999   1 10.117 ? 70  B 1 .
ATOM 2620 C CE2  . TRP Bxp B 31  ? 22.964  24.859  -0.343  1 9.958  ? 70  B 1 .
ATOM 2621 C CE3  . TRP Bxp B 31  ? 23.726  23.104  -1.813  1 10.11  ? 70  B 1 .
ATOM 2622 C CZ2  . TRP Bxp B 31  ? 22.715  25.712  -1.417  1 10.114 ? 70  B 1 .
ATOM 2623 C CZ3  . TRP Bxp B 31  ? 23.469  23.942  -2.879  1 10.2   ? 70  B 1 .
ATOM 2624 C CH2  . TRP Bxp B 31  ? 22.976  25.232  -2.681  1 10.137 ? 70  B 1 .
ATOM 2625 H H    . TRP Bxp B 31  ? 25.837  23.059  3.102   1 10.119 ? 70  B 1 c
ATOM 2626 H HA   . TRP Bxp B 31  ? 25.859  20.681  1.715   1 10.239 ? 70  B 1 c
ATOM 2627 H HB3  . TRP Bxp B 31  ? 23.504  21.186  1.788   1 9.927  ? 70  B 1 c
ATOM 2628 H HB2  . TRP Bxp B 31  ? 24.073  21.044  0.307   1 9.906  ? 70  B 1 c
ATOM 2629 H HD1  . TRP Bxp B 31  ? 23.128  23.828  2.605   1 9.996  ? 70  B 1 c
ATOM 2630 H HE1  . TRP Bxp B 31  ? 22.483  25.789  1.367   1 10.088 ? 70  B 1 c
ATOM 2631 H HE3  . TRP Bxp B 31  ? 24.043  22.232  -1.956  1 10.06  ? 70  B 1 c
ATOM 2632 H HZ2  . TRP Bxp B 31  ? 22.381  26.582  -1.282  1 10.1   ? 70  B 1 c
ATOM 2633 H HZ3  . TRP Bxp B 31  ? 23.645  23.644  -3.755  1 10.178 ? 70  B 1 c
ATOM 2634 H HH2  . TRP Bxp B 31  ? 22.825  25.788  -3.425  1 10.143 ? 70  B 1 c
ATOM 2635 N N    . GLY Bxp B 32  ? 26.698  21.772  -0.423  1 11.04  ? 71  B 1 .
ATOM 2636 C CA   . GLY Bxp B 32  ? 27.168  22.427  -1.621  1 11.062 ? 71  B 1 .
ATOM 2637 C C    . GLY Bxp B 32  ? 26.522  21.752  -2.822  1 11.412 ? 71  B 1 .
ATOM 2638 O O    . GLY Bxp B 32  ? 25.918  20.688  -2.703  1 10.396 ? 71  B 1 .
ATOM 2639 H H    . GLY Bxp B 32  ? 26.578  20.866  -0.45   1 10.973 ? 71  B 1 c
ATOM 2640 H HA3  . GLY Bxp B 32  ? 28.149  22.354  -1.677  1 11.139 ? 71  B 1 c
ATOM 2641 H HA2  . GLY Bxp B 32  ? 26.925  23.382  -1.598  1 11.164 ? 71  B 1 c
ATOM 2642 N N    . THR Bxp B 33  ? 26.683  22.392  -3.981  1 12.905 ? 72  B 1 .
ATOM 2643 C CA   . THR Bxp B 33  ? 26.044  21.97   -5.223  1 13.604 ? 72  B 1 .
ATOM 2644 C C    . THR Bxp B 33  ? 26.655  20.649  -5.682  1 14.312 ? 72  B 1 .
ATOM 2645 O O    . THR Bxp B 33  ? 26.02   19.892  -6.407  1 14.623 ? 72  B 1 .
ATOM 2646 C CB   . THR Bxp B 33  ? 26.194  23.039  -6.306  1 12.914 ? 72  B 1 .
ATOM 2647 O OG1  . THR Bxp B 33  ? 27.588  22.997  -6.599  1 12.604 ? 72  B 1 .
ATOM 2648 C CG2  . THR Bxp B 33  ? 25.704  24.419  -5.89   1 12.588 ? 72  B 1 .
ATOM 2649 H H    . THR Bxp B 33  ? 27.226  23.126  -4.001  1 12.721 ? 72  B 1 c
ATOM 2650 H HA   . THR Bxp B 33  ? 25.087  21.833  -5.048  1 13.45  ? 72  B 1 c
ATOM 2651 H HB   . THR Bxp B 33  ? 25.689  22.758  -7.107  1 12.914 ? 72  B 1 c
ATOM 2652 H HG1  . THR Bxp B 33  ? 28.011  23.413  -5.974  0 8.5    ? 72  B 1 c
ATOM 2653 H HG21 . THR Bxp B 33  ? 26.4    25.076  -6.058  1 12.768 ? 72  B 1 c
ATOM 2654 H HG22 . THR Bxp B 33  ? 25.48   24.417  -4.945  1 12.755 ? 72  B 1 c
ATOM 2655 H HG23 . THR Bxp B 33  ? 24.914  24.65   -6.406  1 12.772 ? 72  B 1 c
ATOM 2656 N N    . TRP Bxp B 34  ? 27.886  20.373  -5.256  1 15.393 ? 73  B 1 .
ATOM 2657 C CA   . TRP Bxp B 34  ? 28.559  19.175  -5.723  1 17.628 ? 73  B 1 .
ATOM 2658 C C    . TRP Bxp B 34  ? 28.044  17.872  -5.081  1 20.047 ? 73  B 1 .
ATOM 2659 O O    . TRP Bxp B 34  ? 28.225  16.787  -5.645  1 20.557 ? 73  B 1 .
ATOM 2660 C CB   . TRP Bxp B 34  ? 30.051  19.322  -5.474  1 16.461 ? 73  B 1 .
ATOM 2661 C CG   . TRP Bxp B 34  ? 30.333  19.34   -4.016  1 16.058 ? 73  B 1 .
ATOM 2662 C CD1  . TRP Bxp B 34  ? 30.373  18.298  -3.141  1 16.442 ? 73  B 1 .
ATOM 2663 C CD2  . TRP Bxp B 34  ? 30.599  20.528  -3.264  1 17.282 ? 73  B 1 .
ATOM 2664 N NE1  . TRP Bxp B 34  ? 30.684  18.757  -1.885  1 16.474 ? 73  B 1 .
ATOM 2665 C CE2  . TRP Bxp B 34  ? 30.831  20.12   -1.932  1 17.133 ? 73  B 1 .
ATOM 2666 C CE3  . TRP Bxp B 34  ? 30.684  21.89   -3.589  1 18.023 ? 73  B 1 .
ATOM 2667 C CZ2  . TRP Bxp B 34  ? 31.136  21.041  -0.935  1 17.863 ? 73  B 1 .
ATOM 2668 C CZ3  . TRP Bxp B 34  ? 30.984  22.8    -2.596  1 17.556 ? 73  B 1 .
ATOM 2669 C CH2  . TRP Bxp B 34  ? 31.219  22.37   -1.291  1 17.681 ? 73  B 1 .
ATOM 2670 H H    . TRP Bxp B 34  ? 28.32   20.943  -4.691  1 15.561 ? 73  B 1 c
ATOM 2671 H HA   . TRP Bxp B 34  ? 28.421  19.11   -6.706  1 17.317 ? 73  B 1 c
ATOM 2672 H HB3  . TRP Bxp B 34  ? 30.361  20.162  -5.875  1 16.628 ? 73  B 1 c
ATOM 2673 H HB2  . TRP Bxp B 34  ? 30.519  18.565  -5.886  1 16.624 ? 73  B 1 c
ATOM 2674 H HD1  . TRP Bxp B 34  ? 30.244  17.389  -3.36   1 16.395 ? 73  B 1 c
ATOM 2675 H HE1  . TRP Bxp B 34  ? 30.771  18.262  -1.172  1 16.627 ? 73  B 1 c
ATOM 2676 H HE3  . TRP Bxp B 34  ? 30.539  22.178  -4.474  1 17.727 ? 73  B 1 c
ATOM 2677 H HZ2  . TRP Bxp B 34  ? 31.287  20.763  -0.048  1 17.727 ? 73  B 1 c
ATOM 2678 H HZ3  . TRP Bxp B 34  ? 31.048  23.717  -2.805  1 17.685 ? 73  B 1 c
ATOM 2679 H HH2  . TRP Bxp B 34  ? 31.414  23.008  -0.628  1 17.687 ? 73  B 1 c
ATOM 2680 N N    . ALA Bxp B 35  ? 27.434  17.954  -3.893  1 20.679 ? 74  B 1 .
ATOM 2681 C CA   . ALA Bxp B 35  ? 26.853  16.782  -3.249  1 20.637 ? 74  B 1 .
ATOM 2682 C C    . ALA Bxp B 35  ? 25.572  16.3    -3.951  1 21.66  ? 74  B 1 .
ATOM 2683 O O    . ALA Bxp B 35  ? 24.528  16.959  -3.887  1 22.119 ? 74  B 1 .
ATOM 2684 C CB   . ALA Bxp B 35  ? 26.569  17.132  -1.816  1 20.869 ? 74  B 1 .
ATOM 2685 H H    . ALA Bxp B 35  ? 27.382  18.761  -3.468  1 20.46  ? 74  B 1 c
ATOM 2686 H HA   . ALA Bxp B 35  ? 27.523  16.045  -3.276  1 20.866 ? 74  B 1 c
ATOM 2687 H HB3  . ALA Bxp B 35  ? 26.182  16.364  -1.364  1 20.859 ? 74  B 1 c
ATOM 2688 H HB2  . ALA Bxp B 35  ? 25.945  17.876  -1.778  1 20.818 ? 74  B 1 c
ATOM 2689 H HB1  . ALA Bxp B 35  ? 27.396  17.383  -1.371  1 20.814 ? 74  B 1 c
ATOM 2690 N N    . GLU Bxp B 36  ? 25.629  15.103  -4.564  1 21.131 ? 75  B 1 .
ATOM 2691 C CA   . GLU Bxp B 36  ? 24.515  14.583  -5.345  1 20.156 ? 75  B 1 .
ATOM 2692 C C    . GLU Bxp B 36  ? 23.305  14.234  -4.481  1 19.489 ? 75  B 1 .
ATOM 2693 O O    . GLU Bxp B 36  ? 22.184  14.345  -4.962  1 19.151 ? 75  B 1 .
ATOM 2694 C CB   . GLU Bxp B 36  ? 24.923  13.381  -6.187  1 21.123 ? 75  B 1 .
ATOM 2695 C CG   . GLU Bxp B 36  ? 25.89   13.738  -7.311  1 22.609 ? 75  B 1 .
ATOM 2696 C CD   . GLU Bxp B 36  ? 25.365  14.62   -8.435  1 23.23  ? 75  B 1 .
ATOM 2697 O OE1  . GLU Bxp B 36  ? 24.291  14.335  -9.029  1 21.61  ? 75  B 1 .
ATOM 2698 O OE2  . GLU Bxp B 36  ? 26.091  15.606  -8.717  1 25.628 ? 75  B 1 .
ATOM 2699 H H    . GLU Bxp B 36  ? 26.387  14.598  -4.492  1 21.024 ? 75  B 1 c
ATOM 2700 H HA   . GLU Bxp B 36  ? 24.235  15.297  -5.972  1 20.419 ? 75  B 1 c
ATOM 2701 H HB3  . GLU Bxp B 36  ? 24.118  12.977  -6.575  1 21.214 ? 75  B 1 c
ATOM 2702 H HB2  . GLU Bxp B 36  ? 25.34   12.713  -5.604  1 21.222 ? 75  B 1 c
ATOM 2703 H HG3  . GLU Bxp B 36  ? 26.22   12.91   -7.709  1 22.4   ? 75  B 1 c
ATOM 2704 H HG2  . GLU Bxp B 36  ? 26.668  14.187  -6.915  1 22.413 ? 75  B 1 c
ATOM 2705 N N    . PRO Bxp B 37  ? 23.439  13.788  -3.209  1 20.498 ? 76  B 1 .
ATOM 2706 C CA   . PRO Bxp B 37  ? 22.274  13.694  -2.337  1 21.627 ? 76  B 1 .
ATOM 2707 C C    . PRO Bxp B 37  ? 21.398  14.954  -2.371  1 23.613 ? 76  B 1 .
ATOM 2708 O O    . PRO Bxp B 37  ? 20.194  14.865  -2.541  1 23.872 ? 76  B 1 .
ATOM 2709 C CB   . PRO Bxp B 37  ? 22.889  13.397  -0.965  1 20.165 ? 76  B 1 .
ATOM 2710 C CG   . PRO Bxp B 37  ? 24.16   12.668  -1.298  1 19.69  ? 76  B 1 .
ATOM 2711 C CD   . PRO Bxp B 37  ? 24.667  13.321  -2.545  1 20.389 ? 76  B 1 .
ATOM 2712 H HA   . PRO Bxp B 37  ? 21.733  12.925  -2.613  1 21.471 ? 76  B 1 c
ATOM 2713 H HB3  . PRO Bxp B 37  ? 22.294  12.837  -0.429  1 20.374 ? 76  B 1 c
ATOM 2714 H HB2  . PRO Bxp B 37  ? 23.076  14.223  -0.478  1 20.387 ? 76  B 1 c
ATOM 2715 H HG3  . PRO Bxp B 37  ? 23.986  11.718  -1.453  1 19.955 ? 76  B 1 c
ATOM 2716 H HG2  . PRO Bxp B 37  ? 24.812  12.756  -0.574  1 19.955 ? 76  B 1 c
ATOM 2717 H HD3  . PRO Bxp B 37  ? 25.255  14.07   -2.333  1 20.265 ? 76  B 1 c
ATOM 2718 H HD2  . PRO Bxp B 37  ? 25.146  12.684  -3.111  1 20.256 ? 76  B 1 c
ATOM 2719 N N    . ALA Bxp B 38  ? 22.005  16.143  -2.282  1 24.334 ? 77  B 1 .
ATOM 2720 C CA   . ALA Bxp B 38  ? 21.239  17.379  -2.231  1 24.888 ? 77  B 1 .
ATOM 2721 C C    . ALA Bxp B 38  ? 20.379  17.573  -3.476  1 24.923 ? 77  B 1 .
ATOM 2722 O O    . ALA Bxp B 38  ? 19.482  18.414  -3.467  1 26.073 ? 77  B 1 .
ATOM 2723 C CB   . ALA Bxp B 38  ? 22.152  18.571  -2.044  1 26.017 ? 77  B 1 .
ATOM 2724 H H    . ALA Bxp B 38  ? 22.918  16.185  -2.249  1 24.25  ? 77  B 1 c
ATOM 2725 H HA   . ALA Bxp B 38  ? 20.627  17.323  -1.446  1 24.989 ? 77  B 1 c
ATOM 2726 H HB3  . ALA Bxp B 38  ? 21.62   19.375  -1.925  1 25.673 ? 77  B 1 c
ATOM 2727 H HB2  . ALA Bxp B 38  ? 22.72   18.674  -2.826  1 25.657 ? 77  B 1 c
ATOM 2728 H HB1  . ALA Bxp B 38  ? 22.709  18.436  -1.259  1 25.673 ? 77  B 1 c
ATOM 2729 N N    . LYS Bxp B 39  ? 20.642  16.829  -4.552  1 24.444 ? 78  B 1 .
ATOM 2730 C CA   . LYS Bxp B 39  ? 19.779  16.953  -5.714  1 24.607 ? 78  B 1 .
ATOM 2731 C C    . LYS Bxp B 39  ? 18.504  16.147  -5.479  1 24.87  ? 78  B 1 .
ATOM 2732 O O    . LYS Bxp B 39  ? 17.447  16.494  -5.997  1 23.814 ? 78  B 1 .
ATOM 2733 C CB   . LYS Bxp B 39  ? 20.493  16.56   -7.011  1 25.553 ? 78  B 1 .
ATOM 2734 C CG   . LYS Bxp B 39  ? 21.663  17.45   -7.403  1 26.411 ? 78  B 1 .
ATOM 2735 C CD   . LYS Bxp B 39  ? 22.398  17      -8.66   1 26.702 ? 78  B 1 .
ATOM 2736 C CE   . LYS Bxp B 39  ? 23.578  17.872  -8.982  1 26.921 ? 78  B 1 .
ATOM 2737 N NZ   . LYS Bxp B 39  ? 24.237  17.413  -10.208 1 27.349 ? 78  B 1 .
ATOM 2738 H H    . LYS Bxp B 39  ? 21.365  16.272  -4.582  1 24.575 ? 78  B 1 c
ATOM 2739 H HA   . LYS Bxp B 39  ? 19.523  17.906  -5.804  1 24.804 ? 78  B 1 c
ATOM 2740 H HB3  . LYS Bxp B 39  ? 19.839  16.57   -7.742  1 25.521 ? 78  B 1 c
ATOM 2741 H HB2  . LYS Bxp B 39  ? 20.821  15.64   -6.92   1 25.491 ? 78  B 1 c
ATOM 2742 H HG3  . LYS Bxp B 39  ? 22.298  17.475  -6.654  1 26.271 ? 78  B 1 c
ATOM 2743 H HG2  . LYS Bxp B 39  ? 21.327  18.363  -7.54   1 26.243 ? 78  B 1 c
ATOM 2744 H HD3  . LYS Bxp B 39  ? 21.777  17.007  -9.419  1 26.626 ? 78  B 1 c
ATOM 2745 H HD2  . LYS Bxp B 39  ? 22.706  16.078  -8.532  1 26.643 ? 78  B 1 c
ATOM 2746 H HE3  . LYS Bxp B 39  ? 24.217  17.847  -8.247  1 26.971 ? 78  B 1 c
ATOM 2747 H HE2  . LYS Bxp B 39  ? 23.284  18.793  -9.103  1 26.971 ? 78  B 1 c
ATOM 2748 H HZ1  . LYS Bxp B 39  ? 23.823  17.773  -10.929 1 27.21  ? 78  B 1 c
ATOM 2749 H HZ2  . LYS Bxp B 39  ? 24.202  16.51   -10.266 1 27.19  ? 78  B 1 c
ATOM 2750 H HZ3  . LYS Bxp B 39  ? 25.105  17.676  -10.203 1 27.21  ? 78  B 1 c
ATOM 2751 N N    . LYS Bxp B 40  ? 18.627  15.063  -4.707  1 26.745 ? 79  B 1 .
ATOM 2752 C CA   . LYS Bxp B 40  ? 17.504  14.215  -4.33   1 28.454 ? 79  B 1 .
ATOM 2753 C C    . LYS Bxp B 40  ? 16.715  14.877  -3.195  1 24.875 ? 79  B 1 .
ATOM 2754 O O    . LYS Bxp B 40  ? 15.499  14.797  -3.156  1 23.378 ? 79  B 1 .
ATOM 2755 C CB   . LYS Bxp B 40  ? 18.099  12.855  -3.924  1 32.82  ? 79  B 1 .
ATOM 2756 C CG   . LYS Bxp B 40  ? 17.255  11.601  -4.006  1 36.728 ? 79  B 1 .
ATOM 2757 C CD   . LYS Bxp B 40  ? 17.165  10.965  -5.386  1 39.851 ? 79  B 1 .
ATOM 2758 C CE   . LYS Bxp B 40  ? 16.567  9.584   -5.312  1 44.858 ? 79  B 1 .
ATOM 2759 N NZ   . LYS Bxp B 40  ? 15.943  9.237   -6.592  1 50.184 ? 79  B 1 .
ATOM 2760 H H    . LYS Bxp B 40  ? 19.459  14.836  -4.404  1 26.677 ? 79  B 1 c
ATOM 2761 H HA   . LYS Bxp B 40  ? 16.912  14.1    -5.117  1 28.106 ? 79  B 1 c
ATOM 2762 H HB3  . LYS Bxp B 40  ? 18.41   12.938  -2.997  1 32.504 ? 79  B 1 c
ATOM 2763 H HB2  . LYS Bxp B 40  ? 18.895  12.705  -4.477  1 32.551 ? 79  B 1 c
ATOM 2764 H HG3  . LYS Bxp B 40  ? 16.347  11.82   -3.701  1 36.459 ? 79  B 1 c
ATOM 2765 H HG2  . LYS Bxp B 40  ? 17.623  10.941  -3.379  1 36.458 ? 79  B 1 c
ATOM 2766 H HD3  . LYS Bxp B 40  ? 18.065  10.908  -5.776  1 40.164 ? 79  B 1 c
ATOM 2767 H HD2  . LYS Bxp B 40  ? 16.61   11.53   -5.969  1 40.295 ? 79  B 1 c
ATOM 2768 H HE3  . LYS Bxp B 40  ? 15.891  9.55    -4.611  1 44.799 ? 79  B 1 c
ATOM 2769 H HE2  . LYS Bxp B 40  ? 17.261  8.931   -5.105  1 44.837 ? 79  B 1 c
ATOM 2770 H HZ1  . LYS Bxp B 40  ? 16.562  9.274   -7.254  1 48.411 ? 79  B 1 c
ATOM 2771 H HZ2  . LYS Bxp B 40  ? 15.274  9.82    -6.778  1 48.404 ? 79  B 1 c
ATOM 2772 H HZ3  . LYS Bxp B 40  ? 15.602  8.398   -6.549  1 48.453 ? 79  B 1 c
ATOM 2773 N N    . GLU Bxp B 41  ? 17.419  15.55   -2.286  1 23.476 ? 80  B 1 .
ATOM 2774 C CA   . GLU Bxp B 41  ? 16.909  15.804  -0.952  1 23.531 ? 80  B 1 .
ATOM 2775 C C    . GLU Bxp B 41  ? 16.349  17.216  -0.838  1 20.284 ? 80  B 1 .
ATOM 2776 O O    . GLU Bxp B 41  ? 15.513  17.477  0.012   1 19.557 ? 80  B 1 .
ATOM 2777 C CB   . GLU Bxp B 41  ? 17.995  15.635  0.114   1 27.575 ? 80  B 1 .
ATOM 2778 C CG   . GLU Bxp B 41  ? 18.757  14.309  0.035   1 31     ? 80  B 1 .
ATOM 2779 C CD   . GLU Bxp B 41  ? 19.598  13.905  1.251   1 34.051 ? 80  B 1 .
ATOM 2780 O OE1  . GLU Bxp B 41  ? 20.066  14.802  2.022   1 39.564 ? 80  B 1 .
ATOM 2781 O OE2  . GLU Bxp B 41  ? 19.776  12.668  1.436   1 32.726 ? 80  B 1 .
ATOM 2782 H H    . GLU Bxp B 41  ? 18.254  15.855  -2.5    1 23.812 ? 80  B 1 c
ATOM 2783 H HA   . GLU Bxp B 41  ? 16.181  15.159  -0.765  1 23.541 ? 80  B 1 c
ATOM 2784 H HB3  . GLU Bxp B 41  ? 17.58   15.706  0.999   1 27.308 ? 80  B 1 c
ATOM 2785 H HB2  . GLU Bxp B 41  ? 18.638  16.37   0.027   1 27.272 ? 80  B 1 c
ATOM 2786 H HG3  . GLU Bxp B 41  ? 19.347  14.338  -0.739  1 30.731 ? 80  B 1 c
ATOM 2787 H HG2  . GLU Bxp B 41  ? 18.109  13.592  -0.133  1 30.829 ? 80  B 1 c
ATOM 2788 N N    . PHE Bxp B 42  ? 16.806  18.142  -1.666  1 17.589 ? 81  B 1 .
ATOM 2789 C CA   . PHE Bxp B 42  ? 16.262  19.481  -1.587  1 16.554 ? 81  B 1 .
ATOM 2790 C C    . PHE Bxp B 42  ? 14.798  19.499  -2.01   1 16.329 ? 81  B 1 .
ATOM 2791 O O    . PHE Bxp B 42  ? 13.994  20.201  -1.42   1 16.496 ? 81  B 1 .
ATOM 2792 C CB   . PHE Bxp B 42  ? 17.123  20.438  -2.405  1 16.345 ? 81  B 1 .
ATOM 2793 C CG   . PHE Bxp B 42  ? 18.113  21.18   -1.53   1 16.036 ? 81  B 1 .
ATOM 2794 C CD1  . PHE Bxp B 42  ? 18.608  20.604  -0.378  1 16.388 ? 81  B 1 .
ATOM 2795 C CD2  . PHE Bxp B 42  ? 18.5    22.478  -1.826  1 16.041 ? 81  B 1 .
ATOM 2796 C CE1  . PHE Bxp B 42  ? 19.482  21.307  0.436   1 16.411 ? 81  B 1 .
ATOM 2797 C CE2  . PHE Bxp B 42  ? 19.365  23.172  -1.003  1 15.798 ? 81  B 1 .
ATOM 2798 C CZ   . PHE Bxp B 42  ? 19.866  22.579  0.118   1 15.627 ? 81  B 1 .
ATOM 2799 H H    . PHE Bxp B 42  ? 17.459  17.95   -2.275  1 18.025 ? 81  B 1 c
ATOM 2800 H HA   . PHE Bxp B 42  ? 16.3    19.77   -0.638  1 16.693 ? 81  B 1 c
ATOM 2801 H HB3  . PHE Bxp B 42  ? 16.538  21.089  -2.854  1 16.334 ? 81  B 1 c
ATOM 2802 H HB2  . PHE Bxp B 42  ? 17.608  19.931  -3.091  1 16.39  ? 81  B 1 c
ATOM 2803 H HD1  . PHE Bxp B 42  ? 18.359  19.724  -0.146  1 16.314 ? 81  B 1 c
ATOM 2804 H HD2  . PHE Bxp B 42  ? 18.158  22.897  -2.6    1 15.991 ? 81  B 1 c
ATOM 2805 H HE1  . PHE Bxp B 42  ? 19.828  20.895  1.21    1 16.203 ? 81  B 1 c
ATOM 2806 H HE2  . PHE Bxp B 42  ? 19.63   24.049  -1.231  1 15.823 ? 81  B 1 c
ATOM 2807 H HZ   . PHE Bxp B 42  ? 20.466  23.047  0.676   1 15.855 ? 81  B 1 c
ATOM 2808 N N    . PRO Bxp B 43  ? 14.359  18.753  -3.04   1 16.084 ? 82  B 1 .
ATOM 2809 C CA   . PRO Bxp B 43  ? 12.939  18.698  -3.329  1 15.51  ? 82  B 1 .
ATOM 2810 C C    . PRO Bxp B 43  ? 12.139  18.156  -2.152  1 14.825 ? 82  B 1 .
ATOM 2811 O O    . PRO Bxp B 43  ? 11.035  18.601  -1.896  1 14.615 ? 82  B 1 .
ATOM 2812 C CB   . PRO Bxp B 43  ? 12.882  17.817  -4.576  1 15.683 ? 82  B 1 .
ATOM 2813 C CG   . PRO Bxp B 43  ? 14.268  17.988  -5.171  1 15.555 ? 82  B 1 .
ATOM 2814 C CD   . PRO Bxp B 43  ? 15.157  17.963  -3.988  1 16.007 ? 82  B 1 .
ATOM 2815 H HA   . PRO Bxp B 43  ? 12.619  19.596  -3.554  1 15.528 ? 82  B 1 c
ATOM 2816 H HB3  . PRO Bxp B 43  ? 12.192  18.127  -5.194  1 15.614 ? 82  B 1 c
ATOM 2817 H HB2  . PRO Bxp B 43  ? 12.713  16.884  -4.341  1 15.611 ? 82  B 1 c
ATOM 2818 H HG3  . PRO Bxp B 43  ? 14.345  18.838  -5.648  1 15.687 ? 82  B 1 c
ATOM 2819 H HG2  . PRO Bxp B 43  ? 14.482  17.256  -5.784  1 15.687 ? 82  B 1 c
ATOM 2820 H HD3  . PRO Bxp B 43  ? 15.298  17.06   -3.66   1 16.011 ? 82  B 1 c
ATOM 2821 H HD2  . PRO Bxp B 43  ? 16.017  18.389  -4.171  1 15.949 ? 82  B 1 c
ATOM 2822 N N    . TYR Bxp B 44  ? 12.704  17.186  -1.437  1 14.855 ? 83  B 1 .
ATOM 2823 C CA   . TYR Bxp B 44  ? 12.025  16.57   -0.311  1 15.139 ? 83  B 1 .
ATOM 2824 C C    . TYR Bxp B 44  ? 11.784  17.586  0.797   1 13.587 ? 83  B 1 .
ATOM 2825 O O    . TYR Bxp B 44  ? 10.71   17.629  1.366   1 12.636 ? 83  B 1 .
ATOM 2826 C CB   . TYR Bxp B 44  ? 12.846  15.422  0.282   1 16.413 ? 83  B 1 .
ATOM 2827 C CG   . TYR Bxp B 44  ? 13.042  14.195  -0.6    1 17.332 ? 83  B 1 .
ATOM 2828 C CD1  . TYR Bxp B 44  ? 12.148  13.867  -1.604  1 17.66  ? 83  B 1 .
ATOM 2829 C CD2  . TYR Bxp B 44  ? 14.123  13.344  -0.396  1 18.483 ? 83  B 1 .
ATOM 2830 C CE1  . TYR Bxp B 44  ? 12.323  12.732  -2.372  1 18.497 ? 83  B 1 .
ATOM 2831 C CE2  . TYR Bxp B 44  ? 14.306  12.203  -1.151  1 18.046 ? 83  B 1 .
ATOM 2832 C CZ   . TYR Bxp B 44  ? 13.4    11.901  -2.135  1 18.666 ? 83  B 1 .
ATOM 2833 O OH   . TYR Bxp B 44  ? 13.601  10.787  -2.875  1 21.051 ? 83  B 1 .
ATOM 2834 H H    . TYR Bxp B 44  ? 13.538  16.888  -1.662  1 14.973 ? 83  B 1 c
ATOM 2835 H HA   . TYR Bxp B 44  ? 11.149  16.219  -0.618  1 15.034 ? 83  B 1 c
ATOM 2836 H HB3  . TYR Bxp B 44  ? 12.41   15.136  1.115   1 16.257 ? 83  B 1 c
ATOM 2837 H HB2  . TYR Bxp B 44  ? 13.73   15.773  0.527   1 16.321 ? 83  B 1 c
ATOM 2838 H HD1  . TYR Bxp B 44  ? 11.399  14.418  -1.763  1 17.743 ? 83  B 1 c
ATOM 2839 H HD2  . TYR Bxp B 44  ? 14.738  13.54   0.292   1 18.106 ? 83  B 1 c
ATOM 2840 H HE1  . TYR Bxp B 44  ? 11.705  12.52   -3.05   1 18.34  ? 83  B 1 c
ATOM 2841 H HE2  . TYR Bxp B 44  ? 15.045  11.64   -0.995  1 18.296 ? 83  B 1 c
ATOM 2842 H HH   . TYR Bxp B 44  ? 12.744  11.066  -3.57   0 14.9   ? 83  B 1 c
ATOM 2843 N N    . MET Bxp B 45  ? 12.826  18.352  1.119   1 13.297 ? 84  B 1 .
ATOM 2844 C CA   . MET Bxp B 45  ? 12.784  19.38   2.145   1 12.939 ? 84  B 1 .
ATOM 2845 C C    . MET Bxp B 45  ? 11.83   20.502  1.747   1 12.573 ? 84  B 1 .
ATOM 2846 O O    . MET Bxp B 45  ? 10.994  20.903  2.549   1 12.71  ? 84  B 1 .
ATOM 2847 C CB   . MET Bxp B 45  ? 14.181  19.956  2.385   1 12.87  ? 84  B 1 .
ATOM 2848 C CG   . MET Bxp B 45  ? 15.119  19.041  3.171   1 12.76  ? 84  B 1 .
ATOM 2849 S SD   . MET Bxp B 45  ? 16.856  19.483  2.928   1 13.296 ? 84  B 1 .
ATOM 2850 C CE   . MET Bxp B 45  ? 17.106  21.072  3.737   1 12.698 ? 84  B 1 .
ATOM 2851 H H    . MET Bxp B 45  ? 13.614  18.221  0.675   1 13.299 ? 84  B 1 c
ATOM 2852 H HA   . MET Bxp B 45  ? 12.452  18.967  2.982   1 12.926 ? 84  B 1 c
ATOM 2853 H HB3  . MET Bxp B 45  ? 14.089  20.803  2.871   1 12.859 ? 84  B 1 c
ATOM 2854 H HB2  . MET Bxp B 45  ? 14.59   20.156  1.516   1 12.865 ? 84  B 1 c
ATOM 2855 H HG3  . MET Bxp B 45  ? 14.985  18.115  2.886   1 12.886 ? 84  B 1 c
ATOM 2856 H HG2  . MET Bxp B 45  ? 14.907  19.098  4.124   1 12.886 ? 84  B 1 c
ATOM 2857 H HE3  . MET Bxp B 45  ? 16.849  21.002  4.675   1 12.845 ? 84  B 1 c
ATOM 2858 H HE2  . MET Bxp B 45  ? 16.558  21.749  3.299   1 12.845 ? 84  B 1 c
ATOM 2859 H HE1  . MET Bxp B 45  ? 18.046  21.324  3.675   1 12.845 ? 84  B 1 c
ATOM 2860 N N    . ALA Bxp B 46  ? 11.93   20.985  0.506   1 12.175 ? 85  B 1 .
ATOM 2861 C CA   . ALA Bxp B 46  ? 10.961  21.938  -0.015  1 11.727 ? 85  B 1 .
ATOM 2862 C C    . ALA Bxp B 46  ? 9.538   21.405  0.173   1 11.32  ? 85  B 1 .
ATOM 2863 O O    . ALA Bxp B 46  ? 8.614   22.158  0.439   1 11.157 ? 85  B 1 .
ATOM 2864 C CB   . ALA Bxp B 46  ? 11.264  22.273  -1.465  1 11.484 ? 85  B 1 .
ATOM 2865 H H    . ALA Bxp B 46  ? 12.621  20.718  -0.03   1 12.173 ? 85  B 1 c
ATOM 2866 H HA   . ALA Bxp B 46  ? 11.043  22.769  0.525   1 11.69  ? 85  B 1 c
ATOM 2867 H HB3  . ALA Bxp B 46  ? 10.625  22.93   -1.789  1 11.558 ? 85  B 1 c
ATOM 2868 H HB2  . ALA Bxp B 46  ? 11.2    21.469  -2.006  1 11.556 ? 85  B 1 c
ATOM 2869 H HB1  . ALA Bxp B 46  ? 12.162  22.637  -1.535  1 11.556 ? 85  B 1 c
ATOM 2870 N N    . ASN Bxp B 47  ? 9.379   20.091  0.106   1 11.51  ? 86  B 1 .
ATOM 2871 C CA   . ASN Bxp B 47  ? 8.068   19.467  0.081   1 12.496 ? 86  B 1 .
ATOM 2872 C C    . ASN Bxp B 47  ? 7.46    19.323  1.479   1 12.052 ? 86  B 1 .
ATOM 2873 O O    . ASN Bxp B 47  ? 6.275   19.592  1.692   1 11.96  ? 86  B 1 .
ATOM 2874 C CB   . ASN Bxp B 47  ? 8.182   18.11   -0.594  1 13.569 ? 86  B 1 .
ATOM 2875 C CG   . ASN Bxp B 47  ? 6.846   17.605  -1.055  1 14.764 ? 86  B 1 .
ATOM 2876 O OD1  . ASN Bxp B 47  ? 6.025   18.356  -1.595  1 15.831 ? 86  B 1 .
ATOM 2877 N ND2  . ASN Bxp B 47  ? 6.624   16.325  -0.862  1 15.687 ? 86  B 1 .
ATOM 2878 H H    . ASN Bxp B 47  ? 10.115  19.555  0.047   1 11.725 ? 86  B 1 c
ATOM 2879 H HA   . ASN Bxp B 47  ? 7.471   20.025  -0.466  1 12.422 ? 86  B 1 c
ATOM 2880 H HB3  . ASN Bxp B 47  ? 8.571   17.468  0.033   1 13.612 ? 86  B 1 c
ATOM 2881 H HB2  . ASN Bxp B 47  ? 8.778   18.182  -1.364  1 13.568 ? 86  B 1 c
ATOM 2882 H HD21 . ASN Bxp B 47  ? 6.408   15.805  -1.548  1 15.393 ? 86  B 1 c
ATOM 2883 H HD22 . ASN Bxp B 47  ? 6.69    15.982  -0.047  1 15.382 ? 86  B 1 c
ATOM 2884 N N    . GLN Bxp B 48  ? 8.283   18.862  2.427   1 11.588 ? 87  B 1 .
ATOM 2885 C CA   . GLN Bxp B 48  ? 7.923   18.803  3.832   1 10.585 ? 87  B 1 .
ATOM 2886 C C    . GLN Bxp B 48  ? 7.831   20.214  4.397   1 10.518 ? 87  B 1 .
ATOM 2887 O O    . GLN Bxp B 48  ? 6.993   20.477  5.254   1 11.301 ? 87  B 1 .
ATOM 2888 C CB   . GLN Bxp B 48  ? 8.982   18.013  4.582   1 10.063 ? 87  B 1 .
ATOM 2889 C CG   . GLN Bxp B 48  ? 9.16    16.591  4.064   1 9.94   ? 87  B 1 .
ATOM 2890 C CD   . GLN Bxp B 48  ? 7.921   15.746  4.198   1 9.974  ? 87  B 1 .
ATOM 2891 O OE1  . GLN Bxp B 48  ? 7.541   15.006  3.297   1 10.638 ? 87  B 1 .
ATOM 2892 N NE2  . GLN Bxp B 48  ? 7.272   15.822  5.342   1 10.142 ? 87  B 1 .
ATOM 2893 H H    . GLN Bxp B 48  ? 9.116   18.581  2.18    1 11.434 ? 87  B 1 c
ATOM 2894 H HA   . GLN Bxp B 48  ? 7.041   18.36   3.918   1 10.666 ? 87  B 1 c
ATOM 2895 H HB3  . GLN Bxp B 48  ? 8.738   17.98   5.531   1 10.152 ? 87  B 1 c
ATOM 2896 H HB2  . GLN Bxp B 48  ? 9.837   18.487  4.511   1 10.153 ? 87  B 1 c
ATOM 2897 H HG3  . GLN Bxp B 48  ? 9.886   16.157  4.559   1 9.986  ? 87  B 1 c
ATOM 2898 H HG2  . GLN Bxp B 48  ? 9.42    16.616  3.121   1 10.01  ? 87  B 1 c
ATOM 2899 H HE21 . GLN Bxp B 48  ? 6.385   15.829  5.35    1 10.093 ? 87  B 1 c
ATOM 2900 H HE22 . GLN Bxp B 48  ? 7.726   15.867  6.099   1 10.1   ? 87  B 1 c
ATOM 2901 N N    . TYR Bxp B 49  ? 8.682   21.121  3.908   1 9.921  ? 88  B 1 .
ATOM 2902 C CA   . TYR Bxp B 49  ? 8.662   22.496  4.372   1 9.57   ? 88  B 1 .
ATOM 2903 C C    . TYR Bxp B 49  ? 7.301   23.117  4.132   1 9.787  ? 88  B 1 .
ATOM 2904 O O    . TYR Bxp B 49  ? 6.938   24.037  4.835   1 9.665  ? 88  B 1 .
ATOM 2905 C CB   . TYR Bxp B 49  ? 9.604   23.421  3.618   1 9.386  ? 88  B 1 .
ATOM 2906 C CG   . TYR Bxp B 49  ? 9.886   24.778  4.239   1 9.176  ? 88  B 1 .
ATOM 2907 C CD1  . TYR Bxp B 49  ? 10.268  24.896  5.567   1 9.195  ? 88  B 1 .
ATOM 2908 C CD2  . TYR Bxp B 49  ? 9.825   25.933  3.468   1 9.032  ? 88  B 1 .
ATOM 2909 C CE1  . TYR Bxp B 49  ? 10.573  26.132  6.11    1 9.233  ? 88  B 1 .
ATOM 2910 C CE2  . TYR Bxp B 49  ? 10.107  27.173  4       1 8.96   ? 88  B 1 .
ATOM 2911 C CZ   . TYR Bxp B 49  ? 10.493  27.263  5.32    1 9.211  ? 88  B 1 .
ATOM 2912 O OH   . TYR Bxp B 49  ? 10.785  28.477  5.838   1 9.859  ? 88  B 1 .
ATOM 2913 H H    . TYR Bxp B 49  ? 9.297   20.877  3.277   1 9.986  ? 88  B 1 c
ATOM 2914 H HA   . TYR Bxp B 49  ? 8.873   22.521  5.342   1 9.638  ? 88  B 1 c
ATOM 2915 H HB3  . TYR Bxp B 49  ? 9.239   23.561  2.715   1 9.382  ? 88  B 1 c
ATOM 2916 H HB2  . TYR Bxp B 49  ? 10.46   22.954  3.508   1 9.402  ? 88  B 1 c
ATOM 2917 H HD1  . TYR Bxp B 49  ? 10.339  24.123  6.104   1 9.203  ? 88  B 1 c
ATOM 2918 H HD2  . TYR Bxp B 49  ? 9.572   25.869  2.56    1 9.057  ? 88  B 1 c
ATOM 2919 H HE1  . TYR Bxp B 49  ? 10.829  26.204  7.014   1 9.22   ? 88  B 1 c
ATOM 2920 H HE2  . TYR Bxp B 49  ? 10.06   27.946  3.463   1 9.043  ? 88  B 1 c
ATOM 2921 H HH   . TYR Bxp B 49  ? 11.101  28.376  6.691   0 7.74   ? 88  B 1 c
ATOM 2922 N N    . LYS Bxp B 50  ? 6.587   22.662  3.105   1 10.767 ? 89  B 1 .
ATOM 2923 C CA   . LYS Bxp B 50  ? 5.232   23.138  2.872   1 11.928 ? 89  B 1 .
ATOM 2924 C C    . LYS Bxp B 50  ? 4.372   22.845  4.095   1 11.374 ? 89  B 1 .
ATOM 2925 O O    . LYS Bxp B 50  ? 3.575   23.678  4.514   1 11.463 ? 89  B 1 .
ATOM 2926 C CB   . LYS Bxp B 50  ? 4.561   22.498  1.653   1 13.428 ? 89  B 1 .
ATOM 2927 C CG   . LYS Bxp B 50  ? 5.116   22.981  0.355   1 14.616 ? 89  B 1 .
ATOM 2928 C CD   . LYS Bxp B 50  ? 4.772   22.083  -0.815  1 16.21  ? 89  B 1 .
ATOM 2929 C CE   . LYS Bxp B 50  ? 5.18    22.854  -2.033  1 18.654 ? 89  B 1 .
ATOM 2930 N NZ   . LYS Bxp B 50  ? 5.768   22.01   -3.077  1 20.116 ? 89  B 1 .
ATOM 2931 H H    . LYS Bxp B 50  ? 6.951   22.058  2.524   1 10.769 ? 89  B 1 c
ATOM 2932 H HA   . LYS Bxp B 50  ? 5.267   24.119  2.737   1 11.831 ? 89  B 1 c
ATOM 2933 H HB3  . LYS Bxp B 50  ? 3.6     22.697  1.675   1 13.326 ? 89  B 1 c
ATOM 2934 H HB2  . LYS Bxp B 50  ? 4.668   21.525  1.7     1 13.341 ? 89  B 1 c
ATOM 2935 H HG3  . LYS Bxp B 50  ? 6.092   23.044  0.436   1 14.643 ? 89  B 1 c
ATOM 2936 H HG2  . LYS Bxp B 50  ? 4.767   23.883  0.183   1 14.708 ? 89  B 1 c
ATOM 2937 H HD3  . LYS Bxp B 50  ? 3.808   21.9    -0.839  1 16.361 ? 89  B 1 c
ATOM 2938 H HD2  . LYS Bxp B 50  ? 5.277   21.242  -0.765  1 16.378 ? 89  B 1 c
ATOM 2939 H HE3  . LYS Bxp B 50  ? 5.828   23.54   -1.793  1 18.31  ? 89  B 1 c
ATOM 2940 H HE2  . LYS Bxp B 50  ? 4.397   23.302  -2.4    1 18.374 ? 89  B 1 c
ATOM 2941 H HZ1  . LYS Bxp B 50  ? 5.197   21.337  -3.285  1 19.654 ? 89  B 1 c
ATOM 2942 H HZ2  . LYS Bxp B 50  ? 6.549   21.657  -2.782  1 19.654 ? 89  B 1 c
ATOM 2943 H HZ3  . LYS Bxp B 50  ? 5.927   22.505  -3.819  1 19.654 ? 89  B 1 c
ATOM 2944 N N    . HIS Bxp B 51  ? 4.537   21.656  4.675   1 10.544 ? 90  B 1 .
ATOM 2945 C CA   . HIS Bxp B 51  ? 3.771   21.359  5.863   1 10.01  ? 90  B 1 .
ATOM 2946 C C    . HIS Bxp B 51  ? 4.354   22.071  7.075   1 9.971  ? 90  B 1 .
ATOM 2947 O O    . HIS Bxp B 51  ? 3.645   22.788  7.758   1 9.707  ? 90  B 1 .
ATOM 2948 C CB   . HIS Bxp B 51  ? 3.706   19.865  6.143   1 9.834  ? 90  B 1 .
ATOM 2949 C CG   . HIS Bxp B 51  ? 2.859   19.615  7.332   1 9.587  ? 90  B 1 .
ATOM 2950 N ND1  . HIS Bxp B 51  ? 3.344   19.112  8.518   1 9.563  ? 90  B 1 .
ATOM 2951 C CD2  . HIS Bxp B 51  ? 1.562   19.81   7.51    1 9.481  ? 90  B 1 .
ATOM 2952 C CE1  . HIS Bxp B 51  ? 2.362   19.003  9.39    1 9.394  ? 90  B 1 .
ATOM 2953 N NE2  . HIS Bxp B 51  ? 1.277   19.439  8.8     1 9.556  ? 90  B 1 .
ATOM 2954 H H    . HIS Bxp B 51  ? 5.108   21.032  4.33    1 10.615 ? 90  B 1 c
ATOM 2955 H HA   . HIS Bxp B 51  ? 2.848   21.687  5.727   1 10.079 ? 90  B 1 c
ATOM 2956 H HB3  . HIS Bxp B 51  ? 4.612   19.527  6.31    1 9.815  ? 90  B 1 c
ATOM 2957 H HB2  . HIS Bxp B 51  ? 3.321   19.407  5.364   1 9.815  ? 90  B 1 c
ATOM 2958 H HD1  . HIS Bxp B 51  ? 4.225   18.926  8.53    0 5.34   ? 90  B 1 c
ATOM 2959 H HD2  . HIS Bxp B 51  ? 0.952   20.155  6.888   1 9.524  ? 90  B 1 c
ATOM 2960 H HE1  . HIS Bxp B 51  ? 2.428   18.688  10.275  1 9.472  ? 90  B 1 c
ATOM 2961 H HE2  . HIS Bxp B 51  ? 0.518   19.541  9.059   0 3.93   ? 90  B 1 c
ATOM 2962 N N    . PHE Bxp B 52  ? 5.648   21.867  7.329   1 10.231 ? 91  B 1 .
ATOM 2963 C CA   . PHE Bxp B 52  ? 6.248   22.185  8.612   1 10.171 ? 91  B 1 .
ATOM 2964 C C    . PHE Bxp B 52  ? 6.591   23.659  8.818   1 10.255 ? 91  B 1 .
ATOM 2965 O O    . PHE Bxp B 52  ? 6.9     24.029  9.938   1 10.198 ? 91  B 1 .
ATOM 2966 C CB   . PHE Bxp B 52  ? 7.53    21.375  8.79    1 10.091 ? 91  B 1 .
ATOM 2967 C CG   . PHE Bxp B 52  ? 7.274   19.92   9.129   1 9.908  ? 91  B 1 .
ATOM 2968 C CD1  . PHE Bxp B 52  ? 7.001   19.539  10.435  1 9.9    ? 91  B 1 .
ATOM 2969 C CD2  . PHE Bxp B 52  ? 7.318   18.946  8.147   1 9.808  ? 91  B 1 .
ATOM 2970 C CE1  . PHE Bxp B 52  ? 6.776   18.212  10.754  1 10.068 ? 91  B 1 .
ATOM 2971 C CE2  . PHE Bxp B 52  ? 7.095   17.619  8.471   1 9.934  ? 91  B 1 .
ATOM 2972 C CZ   . PHE Bxp B 52  ? 6.834   17.253  9.772   1 10.116 ? 91  B 1 .
ATOM 2973 H H    . PHE Bxp B 52  ? 6.178   21.515  6.673   1 10.155 ? 91  B 1 c
ATOM 2974 H HA   . PHE Bxp B 52  ? 5.61    21.914  9.324   1 10.178 ? 91  B 1 c
ATOM 2975 H HB3  . PHE Bxp B 52  ? 8.063   21.779  9.51    1 10.07  ? 91  B 1 c
ATOM 2976 H HB2  . PHE Bxp B 52  ? 8.053   21.424  7.959   1 10.067 ? 91  B 1 c
ATOM 2977 H HD1  . PHE Bxp B 52  ? 6.971   20.194  11.114  1 9.943  ? 91  B 1 c
ATOM 2978 H HD2  . PHE Bxp B 52  ? 7.509   19.187  7.255   1 9.875  ? 91  B 1 c
ATOM 2979 H HE1  . PHE Bxp B 52  ? 6.593   17.965  11.646  1 10.085 ? 91  B 1 c
ATOM 2980 H HE2  . PHE Bxp B 52  ? 7.128   16.962  7.798   1 9.951  ? 91  B 1 c
ATOM 2981 H HZ   . PHE Bxp B 52  ? 6.672   16.348  9.985   1 10.06  ? 91  B 1 c
ATOM 2982 N N    . LYS Bxp B 53  ? 6.545   24.52   7.809   1 10.938 ? 92  B 1 .
ATOM 2983 C CA   . LYS Bxp B 53  ? 6.895   25.916  8.047   1 12.144 ? 92  B 1 .
ATOM 2984 C C    . LYS Bxp B 53  ? 5.973   26.527  9.096   1 12.296 ? 92  B 1 .
ATOM 2985 O O    . LYS Bxp B 53  ? 6.431   27.185  10.032  1 11.973 ? 92  B 1 .
ATOM 2986 C CB   . LYS Bxp B 53  ? 6.795   26.771  6.786   1 13.333 ? 92  B 1 .
ATOM 2987 C CG   . LYS Bxp B 53  ? 7.091   28.268  6.943   1 14.396 ? 92  B 1 .
ATOM 2988 C CD   . LYS Bxp B 53  ? 7.428   28.886  5.585   1 15.703 ? 92  B 1 .
ATOM 2989 C CE   . LYS Bxp B 53  ? 6.549   30.001  5.096   1 16.921 ? 92  B 1 .
ATOM 2990 N NZ   . LYS Bxp B 53  ? 7.016   31.293  5.581   1 17.8   ? 92  B 1 .
ATOM 2991 H H    . LYS Bxp B 53  ? 6.3     24.251  6.971   1 11.028 ? 92  B 1 c
ATOM 2992 H HA   . LYS Bxp B 53  ? 7.826   25.951  8.383   1 12.099 ? 92  B 1 c
ATOM 2993 H HB3  . LYS Bxp B 53  ? 5.888   26.677  6.423   1 13.287 ? 92  B 1 c
ATOM 2994 H HB2  . LYS Bxp B 53  ? 7.416   26.404  6.122   1 13.311 ? 92  B 1 c
ATOM 2995 H HG3  . LYS Bxp B 53  ? 7.85    28.384  7.556   1 14.432 ? 92  B 1 c
ATOM 2996 H HG2  . LYS Bxp B 53  ? 6.305   28.716  7.325   1 14.446 ? 92  B 1 c
ATOM 2997 H HD3  . LYS Bxp B 53  ? 7.421   28.173  4.91    1 15.62  ? 92  B 1 c
ATOM 2998 H HD2  . LYS Bxp B 53  ? 8.35    29.219  5.628   1 15.603 ? 92  B 1 c
ATOM 2999 H HE3  . LYS Bxp B 53  ? 5.635   29.858  5.402   1 16.821 ? 92  B 1 c
ATOM 3000 H HE2  . LYS Bxp B 53  ? 6.546   30.01   4.122   1 16.835 ? 92  B 1 c
ATOM 3001 H HZ1  . LYS Bxp B 53  ? 7.816   31.491  5.204   1 17.509 ? 92  B 1 c
ATOM 3002 H HZ2  . LYS Bxp B 53  ? 7.109   31.267  6.482   1 17.511 ? 92  B 1 c
ATOM 3003 H HZ3  . LYS Bxp B 53  ? 6.417   31.936  5.362   1 17.519 ? 92  B 1 c
ATOM 3004 N N    . SER Bxp B 54  ? 4.673   26.273  8.903   1 12.828 ? 93  B 1 .
ATOM 3005 C CA   . SER Bxp B 54  ? 3.596   26.705  9.781   1 12.92  ? 93  B 1 .
ATOM 3006 C C    . SER Bxp B 54  ? 3.378   25.756  10.962  1 12.781 ? 93  B 1 .
ATOM 3007 O O    . SER Bxp B 54  ? 2.311   25.792  11.568  1 13.217 ? 93  B 1 .
ATOM 3008 C CB   . SER Bxp B 54  ? 2.343   26.753  9.002   1 12.808 ? 93  B 1 .
ATOM 3009 O OG   . SER Bxp B 54  ? 1.989   25.401  8.758   1 12.873 ? 93  B 1 .
ATOM 3010 H H    . SER Bxp B 54  ? 4.443   25.796  8.158   1 12.707 ? 93  B 1 c
ATOM 3011 H HA   . SER Bxp B 54  ? 3.802   27.611  10.125  1 12.848 ? 93  B 1 c
ATOM 3012 H HB3  . SER Bxp B 54  ? 2.487   27.224  8.159   1 12.849 ? 93  B 1 c
ATOM 3013 H HB2  . SER Bxp B 54  ? 1.642   27.201  9.513   1 12.851 ? 93  B 1 c
ATOM 3014 H HG   . SER Bxp B 54  ? 1.362   25.616  8.329   0 13.04  ? 93  B 1 c
ATOM 3015 N N    . GLN Bxp B 55  ? 4.345   24.877  11.242  1 12.256 ? 94  B 1 .
ATOM 3016 C CA   . GLN Bxp B 55  ? 4.421   24.169  12.503  1 11.987 ? 94  B 1 .
ATOM 3017 C C    . GLN Bxp B 55  ? 5.575   24.727  13.301  1 11.206 ? 94  B 1 .
ATOM 3018 O O    . GLN Bxp B 55  ? 5.869   24.26   14.386  1 10.749 ? 94  B 1 .
ATOM 3019 C CB   . GLN Bxp B 55  ? 4.706   22.706  12.227  1 12.61  ? 94  B 1 .
ATOM 3020 C CG   . GLN Bxp B 55  ? 3.553   22.071  11.485  1 13.366 ? 94  B 1 .
ATOM 3021 C CD   . GLN Bxp B 55  ? 2.53    21.579  12.471  1 14.83  ? 94  B 1 .
ATOM 3022 O OE1  . GLN Bxp B 55  ? 2.7     20.522  13.091  1 17.529 ? 94  B 1 .
ATOM 3023 N NE2  . GLN Bxp B 55  ? 1.461   22.34   12.641  1 15.127 ? 94  B 1 .
ATOM 3024 H H    . GLN Bxp B 55  ? 4.963   24.681  10.6    1 12.297 ? 94  B 1 c
ATOM 3025 H HA   . GLN Bxp B 55  ? 3.575   24.283  13.005  1 12.038 ? 94  B 1 c
ATOM 3026 H HB3  . GLN Bxp B 55  ? 4.849   22.234  13.075  1 12.621 ? 94  B 1 c
ATOM 3027 H HB2  . GLN Bxp B 55  ? 5.522   22.627  11.692  1 12.607 ? 94  B 1 c
ATOM 3028 H HG3  . GLN Bxp B 55  ? 3.879   21.318  10.947  1 13.509 ? 94  B 1 c
ATOM 3029 H HG2  . GLN Bxp B 55  ? 3.142   22.725  10.88   1 13.51  ? 94  B 1 c
ATOM 3030 H HE21 . GLN Bxp B 55  ? 0.68    21.967  12.836  1 15.023 ? 94  B 1 c
ATOM 3031 H HE22 . GLN Bxp B 55  ? 1.525   23.221  12.559  1 14.983 ? 94  B 1 c
ATOM 3032 N N    . GLY Bxp B 56  ? 6.229   25.72   12.713  1 11.249 ? 95  B 1 .
ATOM 3033 C CA   . GLY Bxp B 56  ? 7.238   26.484  13.421  1 11.424 ? 95  B 1 .
ATOM 3034 C C    . GLY Bxp B 56  ? 8.592   25.796  13.346  1 11.237 ? 95  B 1 .
ATOM 3035 O O    . GLY Bxp B 56  ? 9.406   25.921  14.255  1 11.226 ? 95  B 1 .
ATOM 3036 H H    . GLY Bxp B 56  ? 6.051   25.935  11.845  1 11.31  ? 95  B 1 c
ATOM 3037 H HA3  . GLY Bxp B 56  ? 6.97    26.587  14.364  1 11.336 ? 95  B 1 c
ATOM 3038 H HA2  . GLY Bxp B 56  ? 7.302   27.384  13.022  1 11.339 ? 95  B 1 c
ATOM 3039 N N    . VAL Bxp B 57  ? 8.797   25.045  12.261  1 10.884 ? 96  B 1 .
ATOM 3040 C CA   . VAL Bxp B 57  ? 10.115  24.59   11.893  1 10.224 ? 96  B 1 .
ATOM 3041 C C    . VAL Bxp B 57  ? 10.637  25.549  10.852  1 10.057 ? 96  B 1 .
ATOM 3042 O O    . VAL Bxp B 57  ? 9.874   26.034  10.044  1 10.094 ? 96  B 1 .
ATOM 3043 C CB   . VAL Bxp B 57  ? 10.073  23.165  11.347  1 10.236 ? 96  B 1 .
ATOM 3044 C CG1  . VAL Bxp B 57  ? 11.436  22.759  10.816  1 10.514 ? 96  B 1 .
ATOM 3045 C CG2  . VAL Bxp B 57  ? 9.569   22.192  12.402  1 10.318 ? 96  B 1 .
ATOM 3046 H H    . VAL Bxp B 57  ? 8.089   24.808  11.734  1 10.823 ? 96  B 1 c
ATOM 3047 H HA   . VAL Bxp B 57  ? 10.695  24.615  12.677  1 10.339 ? 96  B 1 c
ATOM 3048 H HB   . VAL Bxp B 57  ? 9.437   23.16   10.595  1 10.299 ? 96  B 1 c
ATOM 3049 H HG11 . VAL Bxp B 57  ? 12.132  23.129  11.386  1 10.429 ? 96  B 1 c
ATOM 3050 H HG12 . VAL Bxp B 57  ? 11.547  23.095  9.911   1 10.429 ? 96  B 1 c
ATOM 3051 H HG13 . VAL Bxp B 57  ? 11.508  21.79   10.81   1 10.429 ? 96  B 1 c
ATOM 3052 H HG21 . VAL Bxp B 57  ? 9.61    21.286  12.054  1 10.308 ? 96  B 1 c
ATOM 3053 H HG22 . VAL Bxp B 57  ? 8.649   22.408  12.63   1 10.332 ? 96  B 1 c
ATOM 3054 H HG23 . VAL Bxp B 57  ? 10.123  22.259  13.197  1 10.327 ? 96  B 1 c
ATOM 3055 N N    . GLU Bxp B 58  ? 11.929  25.82   10.897  1 10.573 ? 97  B 1 .
ATOM 3056 C CA   . GLU Bxp B 58  ? 12.557  26.659  9.901   1 11.284 ? 97  B 1 .
ATOM 3057 C C    . GLU Bxp B 58  ? 13.746  25.894  9.331   1 11.516 ? 97  B 1 .
ATOM 3058 O O    . GLU Bxp B 58  ? 14.417  25.164  10.062  1 11.44  ? 97  B 1 .
ATOM 3059 C CB   . GLU Bxp B 58  ? 12.933  27.984  10.564  1 11.665 ? 97  B 1 .
ATOM 3060 C CG   . GLU Bxp B 58  ? 13.602  28.968  9.603   1 12.479 ? 97  B 1 .
ATOM 3061 C CD   . GLU Bxp B 58  ? 12.722  29.549  8.489   1 13.282 ? 97  B 1 .
ATOM 3062 O OE1  . GLU Bxp B 58  ? 12.445  28.811  7.519   1 13.126 ? 97  B 1 .
ATOM 3063 O OE2  . GLU Bxp B 58  ? 12.261  30.718  8.583   1 14.242 ? 97  B 1 .
ATOM 3064 H H    . GLU Bxp B 58  ? 12.442  25.474  11.57   1 10.602 ? 97  B 1 c
ATOM 3065 H HA   . GLU Bxp B 58  ? 11.909  26.831  9.173   1 11.255 ? 97  B 1 c
ATOM 3066 H HB3  . GLU Bxp B 58  ? 13.541  27.802  11.311  1 11.756 ? 97  B 1 c
ATOM 3067 H HB2  . GLU Bxp B 58  ? 12.123  28.395  10.931  1 11.756 ? 97  B 1 c
ATOM 3068 H HG3  . GLU Bxp B 58  ? 14.37   28.525  9.184   1 12.469 ? 97  B 1 c
ATOM 3069 H HG2  . GLU Bxp B 58  ? 13.96   29.717  10.126  1 12.511 ? 97  B 1 c
ATOM 3070 N N    . ILE Bxp B 59  ? 13.993  26.048  8.026   1 11.761 ? 98  B 1 .
ATOM 3071 C CA   . ILE Bxp B 59  ? 15.179  25.454  7.436   1 11.807 ? 98  B 1 .
ATOM 3072 C C    . ILE Bxp B 59  ? 16.214  26.537  7.216   1 11.528 ? 98  B 1 .
ATOM 3073 O O    . ILE Bxp B 59  ? 15.901  27.624  6.77    1 11.225 ? 98  B 1 .
ATOM 3074 C CB   . ILE Bxp B 59  ? 14.893  24.719  6.123   1 11.749 ? 98  B 1 .
ATOM 3075 C CG1  . ILE Bxp B 59  ? 13.856  23.63   6.319   1 11.793 ? 98  B 1 .
ATOM 3076 C CG2  . ILE Bxp B 59  ? 16.195  24.161  5.549   1 11.897 ? 98  B 1 .
ATOM 3077 C CD1  . ILE Bxp B 59  ? 13.25   23.123  5.029   1 11.885 ? 98  B 1 .
ATOM 3078 H H    . ILE Bxp B 59  ? 13.42   26.527  7.499   1 11.705 ? 98  B 1 c
ATOM 3079 H HA   . ILE Bxp B 59  ? 15.543  24.806  8.068   1 11.728 ? 98  B 1 c
ATOM 3080 H HB   . ILE Bxp B 59  ? 14.533  25.368  5.486   1 11.796 ? 98  B 1 c
ATOM 3081 H HG12 . ILE Bxp B 59  ? 13.138  23.975  6.888   1 11.802 ? 98  B 1 c
ATOM 3082 H HG13 . ILE Bxp B 59  ? 14.274  22.879  6.786   1 11.795 ? 98  B 1 c
ATOM 3083 H HG21 . ILE Bxp B 59  ? 15.999  23.41   4.965   1 11.854 ? 98  B 1 c
ATOM 3084 H HG22 . ILE Bxp B 59  ? 16.77   23.862  6.273   1 11.844 ? 98  B 1 c
ATOM 3085 H HG23 . ILE Bxp B 59  ? 16.651  24.852  5.041   1 11.85  ? 98  B 1 c
ATOM 3086 H HD11 . ILE Bxp B 59  ? 13.106  23.87   4.417   1 11.857 ? 98  B 1 c
ATOM 3087 H HD12 . ILE Bxp B 59  ? 12.396  22.691  5.218   1 11.857 ? 98  B 1 c
ATOM 3088 H HD13 . ILE Bxp B 59  ? 13.854  22.478  4.615   1 11.857 ? 98  B 1 c
ATOM 3089 N N    . VAL Bxp B 60  ? 17.456  26.201  7.523   1 11.904 ? 99  B 1 .
ATOM 3090 C CA   . VAL Bxp B 60  ? 18.558  27.043  7.127   1 12.603 ? 99  B 1 .
ATOM 3091 C C    . VAL Bxp B 60  ? 19.556  26.161  6.393   1 13.455 ? 99  B 1 .
ATOM 3092 O O    . VAL Bxp B 60  ? 20.263  25.377  7.021   1 13.353 ? 99  B 1 .
ATOM 3093 C CB   . VAL Bxp B 60  ? 19.16   27.714  8.365   1 12.486 ? 99  B 1 .
ATOM 3094 C CG1  . VAL Bxp B 60  ? 20.29   28.644  7.975   1 12.702 ? 99  B 1 .
ATOM 3095 C CG2  . VAL Bxp B 60  ? 18.088  28.461  9.134   1 12.485 ? 99  B 1 .
ATOM 3096 H H    . VAL Bxp B 60  ? 17.625  25.435  7.99    1 11.972 ? 99  B 1 c
ATOM 3097 H HA   . VAL Bxp B 60  ? 18.233  27.734  6.518   1 12.59  ? 99  B 1 c
ATOM 3098 H HB   . VAL Bxp B 60  ? 19.522  27.002  8.943   1 12.552 ? 99  B 1 c
ATOM 3099 H HG11 . VAL Bxp B 60  ? 20.032  29.16   7.193   1 12.638 ? 99  B 1 c
ATOM 3100 H HG12 . VAL Bxp B 60  ? 21.085  28.123  7.77    1 12.641 ? 99  B 1 c
ATOM 3101 H HG13 . VAL Bxp B 60  ? 20.483  29.249  8.711   1 12.637 ? 99  B 1 c
ATOM 3102 H HG21 . VAL Bxp B 60  ? 18.505  29.057  9.78    1 12.487 ? 99  B 1 c
ATOM 3103 H HG22 . VAL Bxp B 60  ? 17.521  27.826  9.603   1 12.483 ? 99  B 1 c
ATOM 3104 H HG23 . VAL Bxp B 60  ? 17.548  28.982  8.517   1 12.486 ? 99  B 1 c
ATOM 3105 N N    . ALA Bxp B 61  ? 19.524  26.24   5.055   1 13.75  ? 100 B 1 .
ATOM 3106 C CA   . ALA Bxp B 61  ? 20.456  25.508  4.221   1 12.995 ? 100 B 1 .
ATOM 3107 C C    . ALA Bxp B 61  ? 21.682  26.379  4.06    1 12.246 ? 100 B 1 .
ATOM 3108 O O    . ALA Bxp B 61  ? 21.606  27.427  3.431   1 11.751 ? 100 B 1 .
ATOM 3109 C CB   . ALA Bxp B 61  ? 19.839  25.179  2.897   1 12.972 ? 100 B 1 .
ATOM 3110 H H    . ALA Bxp B 61  ? 18.897  26.77   4.653   1 13.483 ? 100 B 1 c
ATOM 3111 H HA   . ALA Bxp B 61  ? 20.712  24.668  4.685   1 12.964 ? 100 B 1 c
ATOM 3112 H HB3  . ALA Bxp B 61  ? 20.532  24.928  2.265   1 12.911 ? 100 B 1 c
ATOM 3113 H HB2  . ALA Bxp B 61  ? 19.36   25.953  2.558   1 12.946 ? 100 B 1 c
ATOM 3114 H HB1  . ALA Bxp B 61  ? 19.219  24.438  3.002   1 12.945 ? 100 B 1 c
ATOM 3115 N N    . VAL Bxp B 62  ? 22.764  25.972  4.718   1 11.765 ? 101 B 1 .
ATOM 3116 C CA   . VAL Bxp B 62  ? 23.987  26.731  4.653   1 11.684 ? 101 B 1 .
ATOM 3117 C C    . VAL Bxp B 62  ? 24.794  26.187  3.497   1 11.954 ? 101 B 1 .
ATOM 3118 O O    . VAL Bxp B 62  ? 25.168  25.025  3.48    1 10.834 ? 101 B 1 .
ATOM 3119 C CB   . VAL Bxp B 62  ? 24.752  26.648  5.973   1 11.45  ? 101 B 1 .
ATOM 3120 C CG1  . VAL Bxp B 62  ? 26.016  27.5    5.953   1 11.328 ? 101 B 1 .
ATOM 3121 C CG2  . VAL Bxp B 62  ? 23.821  27.04   7.106   1 11.534 ? 101 B 1 .
ATOM 3122 H H    . VAL Bxp B 62  ? 22.739  25.207  5.217   1 11.864 ? 101 B 1 c
ATOM 3123 H HA   . VAL Bxp B 62  ? 23.77   27.667  4.478   1 11.751 ? 101 B 1 c
ATOM 3124 H HB   . VAL Bxp B 62  ? 25.015  25.707  6.102   1 11.483 ? 101 B 1 c
ATOM 3125 H HG11 . VAL Bxp B 62  ? 25.827  28.352  5.526   1 11.365 ? 101 B 1 c
ATOM 3126 H HG12 . VAL Bxp B 62  ? 26.712  27.038  5.457   1 11.367 ? 101 B 1 c
ATOM 3127 H HG13 . VAL Bxp B 62  ? 26.319  27.656  6.863   1 11.367 ? 101 B 1 c
ATOM 3128 H HG21 . VAL Bxp B 62  ? 24.343  27.254  7.897   1 11.518 ? 101 B 1 c
ATOM 3129 H HG22 . VAL Bxp B 62  ? 23.224  26.3    7.305   1 11.525 ? 101 B 1 c
ATOM 3130 H HG23 . VAL Bxp B 62  ? 23.298  27.816  6.844   1 11.552 ? 101 B 1 c
ATOM 3131 N N    . ASN Bxp B 63  ? 24.994  27.043  2.507   1 13.426 ? 102 B 1 .
ATOM 3132 C CA   . ASN Bxp B 63  ? 25.839  26.662  1.404   1 15.28  ? 102 B 1 .
ATOM 3133 C C    . ASN Bxp B 63  ? 27.275  26.966  1.796   1 16.04  ? 102 B 1 .
ATOM 3134 O O    . ASN Bxp B 63  ? 27.567  28.021  2.326   1 16.042 ? 102 B 1 .
ATOM 3135 C CB   . ASN Bxp B 63  ? 25.472  27.349  0.097   1 16.157 ? 102 B 1 .
ATOM 3136 C CG   . ASN Bxp B 63  ? 26.61   27.212  -0.887  1 17.183 ? 102 B 1 .
ATOM 3137 O OD1  . ASN Bxp B 63  ? 27.586  27.974  -0.803  1 18.06  ? 102 B 1 .
ATOM 3138 N ND2  . ASN Bxp B 63  ? 26.519  26.229  -1.778  1 17.321 ? 102 B 1 .
ATOM 3139 H H    . ASN Bxp B 63  ? 24.603  27.869  2.513   1 13.436 ? 102 B 1 c
ATOM 3140 H HA   . ASN Bxp B 63  ? 25.746  25.696  1.262   1 15.133 ? 102 B 1 c
ATOM 3141 H HB3  . ASN Bxp B 63  ? 25.294  28.297  0.262   1 16.147 ? 102 B 1 c
ATOM 3142 H HB2  . ASN Bxp B 63  ? 24.666  26.944  -0.274  1 16.106 ? 102 B 1 c
ATOM 3143 H HD21 . ASN Bxp B 63  ? 26.956  26.288  -2.546  1 17.347 ? 102 B 1 c
ATOM 3144 H HD22 . ASN Bxp B 63  ? 26.018  25.519  -1.604  1 17.217 ? 102 B 1 c
ATOM 3145 N N    . VAL Bxp B 64  ? 28.169  26.036  1.48    1 17.333 ? 103 B 1 .
ATOM 3146 C CA   . VAL Bxp B 64  ? 29.536  26.078  1.955   1 17.971 ? 103 B 1 .
ATOM 3147 C C    . VAL Bxp B 64  ? 30.41   26.701  0.876   1 18.649 ? 103 B 1 .
ATOM 3148 O O    . VAL Bxp B 64  ? 31.165  26.033  0.193   1 19.431 ? 103 B 1 .
ATOM 3149 C CB   . VAL Bxp B 64  ? 29.962  24.638  2.3     1 19.078 ? 103 B 1 .
ATOM 3150 C CG1  . VAL Bxp B 64  ? 31.416  24.557  2.734   1 19.148 ? 103 B 1 .
ATOM 3151 C CG2  . VAL Bxp B 64  ? 29.031  23.999  3.338   1 19.692 ? 103 B 1 .
ATOM 3152 H H    . VAL Bxp B 64  ? 27.917  25.344  0.938   1 17.15  ? 103 B 1 c
ATOM 3153 H HA   . VAL Bxp B 64  ? 29.58   26.626  2.763   1 18.137 ? 103 B 1 c
ATOM 3154 H HB   . VAL Bxp B 64  ? 29.876  24.11   1.472   1 18.982 ? 103 B 1 c
ATOM 3155 H HG11 . VAL Bxp B 64  ? 31.733  25.44   2.989   1 19.157 ? 103 B 1 c
ATOM 3156 H HG12 . VAL Bxp B 64  ? 31.951  24.222  1.997   1 19.26  ? 103 B 1 c
ATOM 3157 H HG13 . VAL Bxp B 64  ? 31.5    23.954  3.489   1 19.196 ? 103 B 1 c
ATOM 3158 H HG21 . VAL Bxp B 64  ? 29.422  23.171  3.662   1 19.603 ? 103 B 1 c
ATOM 3159 H HG22 . VAL Bxp B 64  ? 28.169  23.811  2.934   1 19.44  ? 103 B 1 c
ATOM 3160 H HG23 . VAL Bxp B 64  ? 28.909  24.61   4.084   1 19.515 ? 103 B 1 c
ATOM 3161 N N    . GLY Bxp B 65  ? 30.28   28.007  0.696   1 20.154 ? 104 B 1 .
ATOM 3162 C CA   . GLY Bxp B 65  ? 31.367  28.779  0.116   1 19.75  ? 104 B 1 .
ATOM 3163 C C    . GLY Bxp B 65  ? 31.408  28.772  -1.406  1 18.45  ? 104 B 1 .
ATOM 3164 O O    . GLY Bxp B 65  ? 32.464  28.918  -1.991  1 17.123 ? 104 B 1 .
ATOM 3165 H H    . GLY Bxp B 65  ? 29.507  28.431  0.935   1 19.66  ? 104 B 1 c
ATOM 3166 H HA3  . GLY Bxp B 65  ? 32.222  28.427  0.461   1 19.546 ? 104 B 1 c
ATOM 3167 H HA2  . GLY Bxp B 65  ? 31.287  29.704  0.426   1 19.579 ? 104 B 1 c
ATOM 3168 N N    . GLU Bxp B 66  ? 30.252  28.638  -2.037  1 19.857 ? 105 B 1 .
ATOM 3169 C CA   . GLU Bxp B 66  ? 30.142  28.789  -3.477  1 20.617 ? 105 B 1 .
ATOM 3170 C C    . GLU Bxp B 66  ? 29.66   30.208  -3.747  1 19.902 ? 105 B 1 .
ATOM 3171 O O    . GLU Bxp B 66  ? 29.359  30.941  -2.806  1 21.337 ? 105 B 1 .
ATOM 3172 C CB   . GLU Bxp B 66  ? 29.208  27.713  -4.038  1 21.824 ? 105 B 1 .
ATOM 3173 C CG   . GLU Bxp B 66  ? 29.634  26.308  -3.62   1 22.846 ? 105 B 1 .
ATOM 3174 C CD   . GLU Bxp B 66  ? 28.92   25.211  -4.375  1 23.792 ? 105 B 1 .
ATOM 3175 O OE1  . GLU Bxp B 66  ? 27.78   24.856  -4.031  1 25.244 ? 105 B 1 .
ATOM 3176 O OE2  . GLU Bxp B 66  ? 29.518  24.734  -5.344  1 24.768 ? 105 B 1 .
ATOM 3177 H H    . GLU Bxp B 66  ? 29.497  28.449  -1.558  1 19.683 ? 105 B 1 c
ATOM 3178 H HA   . GLU Bxp B 66  ? 31.039  28.675  -3.88   1 20.51  ? 105 B 1 c
ATOM 3179 H HB3  . GLU Bxp B 66  ? 29.203  27.774  -5.016  1 21.744 ? 105 B 1 c
ATOM 3180 H HB2  . GLU Bxp B 66  ? 28.297  27.886  -3.722  1 21.733 ? 105 B 1 c
ATOM 3181 H HG3  . GLU Bxp B 66  ? 29.459  26.192  -2.662  1 22.809 ? 105 B 1 c
ATOM 3182 H HG2  . GLU Bxp B 66  ? 30.599  26.21   -3.762  1 22.832 ? 105 B 1 c
ATOM 3183 N N    . SER Bxp B 67  ? 29.607  30.578  -5.027  1 18.688 ? 106 B 1 .
ATOM 3184 C CA   . SER Bxp B 67  ? 29.232  31.915  -5.441  1 19.051 ? 106 B 1 .
ATOM 3185 C C    . SER Bxp B 67  ? 27.727  32.057  -5.388  1 20.023 ? 106 B 1 .
ATOM 3186 O O    . SER Bxp B 67  ? 27.03   31.058  -5.442  1 18.654 ? 106 B 1 .
ATOM 3187 C CB   . SER Bxp B 67  ? 29.719  32.215  -6.816  1 19.588 ? 106 B 1 .
ATOM 3188 O OG   . SER Bxp B 67  ? 29.27   31.23   -7.737  1 19.137 ? 106 B 1 .
ATOM 3189 H H    . SER Bxp B 67  ? 29.818  29.965  -5.672  1 19.099 ? 106 B 1 c
ATOM 3190 H HA   . SER Bxp B 67  ? 29.635  32.566  -4.812  1 19.29  ? 106 B 1 c
ATOM 3191 H HB3  . SER Bxp B 67  ? 30.694  32.239  -6.815  1 19.357 ? 106 B 1 c
ATOM 3192 H HB2  . SER Bxp B 67  ? 29.391  33.092  -7.092  1 19.36  ? 106 B 1 c
ATOM 3193 H HG   . SER Bxp B 67  ? 29.722  31.442  -8.543  0 14.18  ? 106 B 1 c
ATOM 3194 N N    . LYS Bxp B 68  ? 27.25   33.304  -5.333  1 23.245 ? 107 B 1 .
ATOM 3195 C CA   . LYS Bxp B 68  ? 25.827  33.57   -5.22   1 27.24  ? 107 B 1 .
ATOM 3196 C C    . LYS Bxp B 68  ? 25.098  33.015  -6.452  1 25.216 ? 107 B 1 .
ATOM 3197 O O    . LYS Bxp B 68  ? 23.977  32.528  -6.344  1 23.289 ? 107 B 1 .
ATOM 3198 C CB   . LYS Bxp B 68  ? 25.556  35.061  -4.956  1 33.99  ? 107 B 1 .
ATOM 3199 C CG   . LYS Bxp B 68  ? 24.062  35.49   -5.02   1 43.031 ? 107 B 1 .
ATOM 3200 C CD   . LYS Bxp B 68  ? 23.699  36.931  -4.672  1 50.546 ? 107 B 1 .
ATOM 3201 C CE   . LYS Bxp B 68  ? 23.865  37.277  -3.212  1 58.867 ? 107 B 1 .
ATOM 3202 N NZ   . LYS Bxp B 68  ? 25.202  37.795  -2.873  1 63.265 ? 107 B 1 .
ATOM 3203 H H    . LYS Bxp B 68  ? 27.83   34.01   -5.368  1 23.313 ? 107 B 1 c
ATOM 3204 H HA   . LYS Bxp B 68  ? 25.494  33.074  -4.429  1 27.088 ? 107 B 1 c
ATOM 3205 H HB3  . LYS Bxp B 68  ? 26.057  35.59   -5.613  1 34.024 ? 107 B 1 c
ATOM 3206 H HB2  . LYS Bxp B 68  ? 25.904  35.287  -4.067  1 34.208 ? 107 B 1 c
ATOM 3207 H HG3  . LYS Bxp B 68  ? 23.557  34.897  -4.422  1 42.403 ? 107 B 1 c
ATOM 3208 H HG2  . LYS Bxp B 68  ? 23.739  35.31   -5.929  1 42.244 ? 107 B 1 c
ATOM 3209 H HD3  . LYS Bxp B 68  ? 22.764  37.09   -4.93   1 50.482 ? 107 B 1 c
ATOM 3210 H HD2  . LYS Bxp B 68  ? 24.259  37.535  -5.207  1 50.536 ? 107 B 1 c
ATOM 3211 H HE3  . LYS Bxp B 68  ? 23.693  36.483  -2.674  1 57.62  ? 107 B 1 c
ATOM 3212 H HE2  . LYS Bxp B 68  ? 23.202  37.948  -2.969  1 57.789 ? 107 B 1 c
ATOM 3213 H HZ1  . LYS Bxp B 68  ? 25.179  38.7    -2.841  1 61.735 ? 107 B 1 c
ATOM 3214 H HZ2  . LYS Bxp B 68  ? 25.808  37.537  -3.495  1 61.274 ? 107 B 1 c
ATOM 3215 H HZ3  . LYS Bxp B 68  ? 25.456  37.476  -2.064  1 61.735 ? 107 B 1 c
ATOM 3216 N N    . ILE Bxp B 69  ? 25.719  33.083  -7.637  1 24.051 ? 108 B 1 .
ATOM 3217 C CA   . ILE Bxp B 69  ? 25.04   32.655  -8.847  1 23.25  ? 108 B 1 .
ATOM 3218 C C    . ILE Bxp B 69  ? 24.906  31.14   -8.833  1 21.611 ? 108 B 1 .
ATOM 3219 O O    . ILE Bxp B 69  ? 23.857  30.619  -9.169  1 22.936 ? 108 B 1 .
ATOM 3220 C CB   . ILE Bxp B 69  ? 25.754  33.148  -10.116 1 25.189 ? 108 B 1 .
ATOM 3221 C CG1  . ILE Bxp B 69  ? 25.507  34.673  -10.385 1 27.947 ? 108 B 1 .
ATOM 3222 C CG2  . ILE Bxp B 69  ? 25.329  32.292  -11.31  1 24.951 ? 108 B 1 .
ATOM 3223 C CD1  . ILE Bxp B 69  ? 26.114  35.652  -9.378  1 28.556 ? 108 B 1 .
ATOM 3224 H H    . ILE Bxp B 69  ? 26.573  33.402  -7.692  1 24.165 ? 108 B 1 c
ATOM 3225 H HA   . ILE Bxp B 69  ? 24.142  33.04   -8.842  1 23.436 ? 108 B 1 c
ATOM 3226 H HB   . ILE Bxp B 69  ? 26.715  33.022  -9.984  1 25.237 ? 108 B 1 c
ATOM 3227 H HG12 . ILE Bxp B 69  ? 24.54   34.824  -10.414 1 27.44  ? 108 B 1 c
ATOM 3228 H HG13 . ILE Bxp B 69  ? 25.862  34.888  -11.272 1 27.426 ? 108 B 1 c
ATOM 3229 H HG21 . ILE Bxp B 69  ? 25.571  32.744  -12.136 1 25.022 ? 108 B 1 c
ATOM 3230 H HG22 . ILE Bxp B 69  ? 24.367  32.155  -11.29  1 24.978 ? 108 B 1 c
ATOM 3231 H HG23 . ILE Bxp B 69  ? 25.78   31.431  -11.274 1 24.994 ? 108 B 1 c
ATOM 3232 H HD11 . ILE Bxp B 69  ? 25.567  35.672  -8.57   1 28.376 ? 108 B 1 c
ATOM 3233 H HD12 . ILE Bxp B 69  ? 26.147  36.545  -9.769  1 28.376 ? 108 B 1 c
ATOM 3234 H HD13 . ILE Bxp B 69  ? 27.019  35.365  -9.148  1 28.376 ? 108 B 1 c
ATOM 3235 N N    . ALA Bxp B 70  ? 25.976  30.442  -8.45   1 20.368 ? 109 B 1 .
ATOM 3236 C CA   . ALA Bxp B 70  ? 25.995  28.988  -8.383  1 19.197 ? 109 B 1 .
ATOM 3237 C C    . ALA Bxp B 70  ? 24.834  28.487  -7.536  1 18.587 ? 109 B 1 .
ATOM 3238 O O    . ALA Bxp B 70  ? 24.156  27.518  -7.851  1 17.004 ? 109 B 1 .
ATOM 3239 C CB   . ALA Bxp B 70  ? 27.319  28.535  -7.815  1 19.034 ? 109 B 1 .
ATOM 3240 H H    . ALA Bxp B 70  ? 26.738  30.895  -8.225  1 20.404 ? 109 B 1 c
ATOM 3241 H HA   . ALA Bxp B 70  ? 25.891  28.629  -9.307  1 19.274 ? 109 B 1 c
ATOM 3242 H HB3  . ALA Bxp B 70  ? 27.366  27.564  -7.83   1 19.083 ? 109 B 1 c
ATOM 3243 H HB2  . ALA Bxp B 70  ? 27.405  28.846  -6.898  1 19.082 ? 109 B 1 c
ATOM 3244 H HB1  . ALA Bxp B 70  ? 28.046  28.9    -8.347  1 19.09  ? 109 B 1 c
ATOM 3245 N N    . VAL Bxp B 71  ? 24.618  29.201  -6.444  1 19.482 ? 110 B 1 .
ATOM 3246 C CA   . VAL Bxp B 71  ? 23.581  28.858  -5.502  1 20.458 ? 110 B 1 .
ATOM 3247 C C    . VAL Bxp B 71  ? 22.219  29.18   -6.107  1 21.77  ? 110 B 1 .
ATOM 3248 O O    . VAL Bxp B 71  ? 21.337  28.329  -6.068  1 22.206 ? 110 B 1 .
ATOM 3249 C CB   . VAL Bxp B 71  ? 23.864  29.604  -4.185  1 20.048 ? 110 B 1 .
ATOM 3250 C CG1  . VAL Bxp B 71  ? 22.798  29.302  -3.149  1 20.705 ? 110 B 1 .
ATOM 3251 C CG2  . VAL Bxp B 71  ? 25.241  29.263  -3.626  1 19.338 ? 110 B 1 .
ATOM 3252 H H    . VAL Bxp B 71  ? 25.138  29.933  -6.276  1 19.504 ? 110 B 1 c
ATOM 3253 H HA   . VAL Bxp B 71  ? 23.626  27.897  -5.329  1 20.403 ? 110 B 1 c
ATOM 3254 H HB   . VAL Bxp B 71  ? 23.84   30.57   -4.382  1 20.106 ? 110 B 1 c
ATOM 3255 H HG11 . VAL Bxp B 71  ? 22.581  28.355  -3.173  1 20.506 ? 110 B 1 c
ATOM 3256 H HG12 . VAL Bxp B 71  ? 22      29.821  -3.343  1 20.511 ? 110 B 1 c
ATOM 3257 H HG13 . VAL Bxp B 71  ? 23.128  29.537  -2.265  1 20.496 ? 110 B 1 c
ATOM 3258 H HG21 . VAL Bxp B 71  ? 25.649  30.064  -3.257  1 19.545 ? 110 B 1 c
ATOM 3259 H HG22 . VAL Bxp B 71  ? 25.807  28.911  -4.333  1 19.545 ? 110 B 1 c
ATOM 3260 H HG23 . VAL Bxp B 71  ? 25.151  28.595  -2.925  1 19.546 ? 110 B 1 c
ATOM 3261 N N    . HIS Bxp B 72  ? 22.053  30.383  -6.682  1 23.932 ? 111 B 1 .
ATOM 3262 C CA   . HIS Bxp B 72  ? 20.797  30.763  -7.32   1 27.082 ? 111 B 1 .
ATOM 3263 C C    . HIS Bxp B 72  ? 20.358  29.752  -8.369  1 24.716 ? 111 B 1 .
ATOM 3264 O O    . HIS Bxp B 72  ? 19.165  29.538  -8.544  1 24.189 ? 111 B 1 .
ATOM 3265 C CB   . HIS Bxp B 72  ? 20.857  32.121  -8.025  1 31.972 ? 111 B 1 .
ATOM 3266 C CG   . HIS Bxp B 72  ? 20.091  33.161  -7.294  1 44.011 ? 111 B 1 .
ATOM 3267 N ND1  . HIS Bxp B 72  ? 20.124  33.271  -5.915  1 52.137 ? 111 B 1 .
ATOM 3268 C CD2  . HIS Bxp B 72  ? 19.254  34.118  -7.731  1 52.399 ? 111 B 1 .
ATOM 3269 C CE1  . HIS Bxp B 72  ? 19.34   34.273  -5.532  1 54.453 ? 111 B 1 .
ATOM 3270 N NE2  . HIS Bxp B 72  ? 18.804  34.806  -6.621  1 59.074 ? 111 B 1 .
ATOM 3271 H H    . HIS Bxp B 72  ? 22.742  30.984  -6.669  1 24.11  ? 111 B 1 c
ATOM 3272 H HA   . HIS Bxp B 72  ? 20.102  30.794  -6.617  1 26.972 ? 111 B 1 c
ATOM 3273 H HB3  . HIS Bxp B 72  ? 20.49   32.029  -8.932  1 33.119 ? 111 B 1 c
ATOM 3274 H HB2  . HIS Bxp B 72  ? 21.795  32.403  -8.098  1 33.054 ? 111 B 1 c
ATOM 3275 H HD1  . HIS Bxp B 72  ? 20.576  32.583  -5.335  0 32.31  ? 111 B 1 c
ATOM 3276 H HD2  . HIS Bxp B 72  ? 19.024  34.3    -8.621  1 51.595 ? 111 B 1 c
ATOM 3277 H HE1  . HIS Bxp B 72  ? 19.195  34.557  -4.648  1 54.144 ? 111 B 1 c
ATOM 3278 H HE2  . HIS Bxp B 72  ? 18.494  35.563  -6.516  0 32.6   ? 111 B 1 c
ATOM 3279 N N    . ASN Bxp B 73  ? 21.336  29.173  -9.065  1 23.17  ? 112 B 1 .
ATOM 3280 C CA   . ASN Bxp B 73  ? 21.091  28.222  -10.128 1 22.074 ? 112 B 1 .
ATOM 3281 C C    . ASN Bxp B 73  ? 20.486  26.974  -9.518  1 21.95  ? 112 B 1 .
ATOM 3282 O O    . ASN Bxp B 73  ? 19.43   26.506  -9.932  1 22.397 ? 112 B 1 .
ATOM 3283 C CB   . ASN Bxp B 73  ? 22.38   27.859  -10.858 1 21.987 ? 112 B 1 .
ATOM 3284 C CG   . ASN Bxp B 73  ? 22.972  29.019  -11.625 1 21.477 ? 112 B 1 .
ATOM 3285 O OD1  . ASN Bxp B 73  ? 22.338  30.067  -11.762 1 21.443 ? 112 B 1 .
ATOM 3286 N ND2  . ASN Bxp B 73  ? 24.179  28.849  -12.138 1 21.393 ? 112 B 1 .
ATOM 3287 H H    . ASN Bxp B 73  ? 22.203  29.393  -8.875  1 23.273 ? 112 B 1 c
ATOM 3288 H HA   . ASN Bxp B 73  ? 20.462  28.613  -10.776 1 22.24  ? 112 B 1 c
ATOM 3289 H HB3  . ASN Bxp B 73  ? 22.198  27.128  -11.481 1 21.886 ? 112 B 1 c
ATOM 3290 H HB2  . ASN Bxp B 73  ? 23.037  27.542  -10.208 1 21.875 ? 112 B 1 c
ATOM 3291 H HD21 . ASN Bxp B 73  ? 24.459  29.379  -12.792 1 21.42  ? 112 B 1 c
ATOM 3292 H HD22 . ASN Bxp B 73  ? 24.707  28.208  -11.827 1 21.423 ? 112 B 1 c
ATOM 3293 N N    . PHE Bxp B 74  ? 21.202  26.462  -8.519  1 23.726 ? 113 B 1 .
ATOM 3294 C CA   . PHE Bxp B 74  ? 20.864  25.215  -7.866  1 23.268 ? 113 B 1 .
ATOM 3295 C C    . PHE Bxp B 74  ? 19.486  25.367  -7.245  1 21.818 ? 113 B 1 .
ATOM 3296 O O    . PHE Bxp B 74  ? 18.664  24.461  -7.282  1 21.325 ? 113 B 1 .
ATOM 3297 C CB   . PHE Bxp B 74  ? 21.926  24.851  -6.822  1 23.685 ? 113 B 1 .
ATOM 3298 C CG   . PHE Bxp B 74  ? 21.799  23.402  -6.373  1 24.855 ? 113 B 1 .
ATOM 3299 C CD1  . PHE Bxp B 74  ? 20.908  23.062  -5.354  1 25.649 ? 113 B 1 .
ATOM 3300 C CD2  . PHE Bxp B 74  ? 22.533  22.389  -6.99   1 23.763 ? 113 B 1 .
ATOM 3301 C CE1  . PHE Bxp B 74  ? 20.771  21.745  -4.949  1 25.341 ? 113 B 1 .
ATOM 3302 C CE2  . PHE Bxp B 74  ? 22.392  21.075  -6.586  1 24.837 ? 113 B 1 .
ATOM 3303 C CZ   . PHE Bxp B 74  ? 21.512  20.755  -5.565  1 25.501 ? 113 B 1 .
ATOM 3304 H H    . PHE Bxp B 74  ? 21.941  26.915  -8.229  1 23.171 ? 113 B 1 c
ATOM 3305 H HA   . PHE Bxp B 74  ? 20.83   24.496  -8.552  1 23.166 ? 113 B 1 c
ATOM 3306 H HB3  . PHE Bxp B 74  ? 21.825  25.443  -6.044  1 23.816 ? 113 B 1 c
ATOM 3307 H HB2  . PHE Bxp B 74  ? 22.817  24.992  -7.212  1 23.731 ? 113 B 1 c
ATOM 3308 H HD1  . PHE Bxp B 74  ? 20.401  23.738  -4.933  1 25.37  ? 113 B 1 c
ATOM 3309 H HD2  . PHE Bxp B 74  ? 23.132  22.605  -7.687  1 24.28  ? 113 B 1 c
ATOM 3310 H HE1  . PHE Bxp B 74  ? 20.172  21.525  -4.253  1 25.429 ? 113 B 1 c
ATOM 3311 H HE2  . PHE Bxp B 74  ? 22.899  20.397  -7.002  1 24.741 ? 113 B 1 c
ATOM 3312 H HZ   . PHE Bxp B 74  ? 21.421  19.858  -5.287  1 25.293 ? 113 B 1 c
ATOM 3313 N N    . MET Bxp B 75  ? 19.246  26.542  -6.677  1 22.239 ? 114 B 1 .
ATOM 3314 C CA   . MET Bxp B 75  ? 17.991  26.789  -5.996  1 22.29  ? 114 B 1 .
ATOM 3315 C C    . MET Bxp B 75  ? 16.855  26.657  -7.002  1 21.73  ? 114 B 1 .
ATOM 3316 O O    . MET Bxp B 75  ? 15.89   25.936  -6.768  1 20.513 ? 114 B 1 .
ATOM 3317 C CB   . MET Bxp B 75  ? 18.015  28.159  -5.311  1 21.551 ? 114 B 1 .
ATOM 3318 C CG   . MET Bxp B 75  ? 18.866  28.173  -4.042  1 20.923 ? 114 B 1 .
ATOM 3319 S SD   . MET Bxp B 75  ? 18.68   29.681  -3.071  1 21.95  ? 114 B 1 .
ATOM 3320 C CE   . MET Bxp B 75  ? 16.896  29.938  -3.055  1 22.229 ? 114 B 1 .
ATOM 3321 H H    . MET Bxp B 75  ? 19.878  27.202  -6.7    1 22.158 ? 114 B 1 c
ATOM 3322 H HA   . MET Bxp B 75  ? 17.875  26.085  -5.308  1 22.022 ? 114 B 1 c
ATOM 3323 H HB3  . MET Bxp B 75  ? 17.096  28.413  -5.088  1 21.584 ? 114 B 1 c
ATOM 3324 H HB2  . MET Bxp B 75  ? 18.367  28.823  -5.941  1 21.577 ? 114 B 1 c
ATOM 3325 H HG3  . MET Bxp B 75  ? 19.806  28.071  -4.282  1 21.272 ? 114 B 1 c
ATOM 3326 H HG2  . MET Bxp B 75  ? 18.618  27.41   -3.482  1 21.271 ? 114 B 1 c
ATOM 3327 H HE3  . MET Bxp B 75  ? 16.445  29.078  -2.974  1 22.08  ? 114 B 1 c
ATOM 3328 H HE2  . MET Bxp B 75  ? 16.624  30.374  -3.883  1 22.135 ? 114 B 1 c
ATOM 3329 H HE1  . MET Bxp B 75  ? 16.657  30.503  -2.297  1 22.138 ? 114 B 1 c
ATOM 3330 N N    . LYS Bxp B 76  ? 17.018  27.339  -8.135  1 22.672 ? 115 B 1 .
ATOM 3331 C CA   . LYS Bxp B 76  ? 16.003  27.369  -9.165  1 22.888 ? 115 B 1 .
ATOM 3332 C C    . LYS Bxp B 76  ? 15.82   25.965  -9.727  1 21.054 ? 115 B 1 .
ATOM 3333 O O    . LYS Bxp B 76  ? 14.705  25.465  -9.783  1 21.242 ? 115 B 1 .
ATOM 3334 C CB   . LYS Bxp B 76  ? 16.386  28.371  -10.253 1 25.758 ? 115 B 1 .
ATOM 3335 C CG   . LYS Bxp B 76  ? 15.164  29.031  -10.838 1 31.695 ? 115 B 1 .
ATOM 3336 C CD   . LYS Bxp B 76  ? 15.276  29.482  -12.29  1 36.762 ? 115 B 1 .
ATOM 3337 C CE   . LYS Bxp B 76  ? 13.933  29.583  -12.964 1 40.234 ? 115 B 1 .
ATOM 3338 N NZ   . LYS Bxp B 76  ? 14.113  29.776  -14.406 1 42.476 ? 115 B 1 .
ATOM 3339 H H    . LYS Bxp B 76  ? 17.794  27.804  -8.269  1 22.541 ? 115 B 1 c
ATOM 3340 H HA   . LYS Bxp B 76  ? 15.15   27.656  -8.749  1 23.061 ? 115 B 1 c
ATOM 3341 H HB3  . LYS Bxp B 76  ? 16.878  27.912  -10.967 1 26.294 ? 115 B 1 c
ATOM 3342 H HB2  . LYS Bxp B 76  ? 16.97   29.063  -9.875  1 26.251 ? 115 B 1 c
ATOM 3343 H HG3  . LYS Bxp B 76  ? 14.945  29.812  -10.285 1 31.235 ? 115 B 1 c
ATOM 3344 H HG2  . LYS Bxp B 76  ? 14.413  28.403  -10.764 1 31.214 ? 115 B 1 c
ATOM 3345 H HD3  . LYS Bxp B 76  ? 15.836  28.844  -12.785 1 36.244 ? 115 B 1 c
ATOM 3346 H HD2  . LYS Bxp B 76  ? 15.716  30.36   -12.32  1 36.284 ? 115 B 1 c
ATOM 3347 H HE3  . LYS Bxp B 76  ? 13.433  30.335  -12.599 1 39.915 ? 115 B 1 c
ATOM 3348 H HE2  . LYS Bxp B 76  ? 13.421  28.768  -12.812 1 39.862 ? 115 B 1 c
ATOM 3349 H HZ1  . LYS Bxp B 76  ? 14.527  29.053  -14.763 1 41.726 ? 115 B 1 c
ATOM 3350 H HZ2  . LYS Bxp B 76  ? 14.619  30.512  -14.557 1 41.733 ? 115 B 1 c
ATOM 3351 H HZ3  . LYS Bxp B 76  ? 13.307  29.883  -14.804 1 41.757 ? 115 B 1 c
ATOM 3352 N N    . SER Bxp B 77  ? 16.928  25.325  -10.101 1 20.055 ? 116 B 1 .
ATOM 3353 C CA   . SER Bxp B 77  ? 16.907  23.969  -10.628 1 20.099 ? 116 B 1 .
ATOM 3354 C C    . SER Bxp B 77  ? 16.067  23.011  -9.774  1 20.315 ? 116 B 1 .
ATOM 3355 O O    . SER Bxp B 77  ? 15.303  22.211  -10.312 1 19.651 ? 116 B 1 .
ATOM 3356 C CB   . SER Bxp B 77  ? 18.308  23.44   -10.784 1 20.164 ? 116 B 1 .
ATOM 3357 O OG   . SER Bxp B 77  ? 18.954  24.048  -11.887 1 20.429 ? 116 B 1 .
ATOM 3358 H H    . SER Bxp B 77  ? 17.733  25.753  -10.03  1 20.328 ? 116 B 1 c
ATOM 3359 H HA   . SER Bxp B 77  ? 16.496  24.006  -11.529 1 20.142 ? 116 B 1 c
ATOM 3360 H HB3  . SER Bxp B 77  ? 18.278  22.474  -10.917 1 20.213 ? 116 B 1 c
ATOM 3361 H HB2  . SER Bxp B 77  ? 18.815  23.622  -9.97   1 20.213 ? 116 B 1 c
ATOM 3362 H HG   . SER Bxp B 77  ? 19.789  23.638  -11.924 0 15.12  ? 116 B 1 c
ATOM 3363 N N    . TYR Bxp B 78  ? 16.221  23.069  -8.444  1 20.103 ? 117 B 1 .
ATOM 3364 C CA   . TYR Bxp B 78  ? 15.555  22.114  -7.572  1 19.959 ? 117 B 1 .
ATOM 3365 C C    . TYR Bxp B 78  ? 14.41   22.747  -6.769  1 21.076 ? 117 B 1 .
ATOM 3366 O O    . TYR Bxp B 78  ? 14.037  22.232  -5.71   1 22.488 ? 117 B 1 .
ATOM 3367 C CB   . TYR Bxp B 78  ? 16.67   21.486  -6.743  1 19.011 ? 117 B 1 .
ATOM 3368 C CG   . TYR Bxp B 78  ? 17.612  20.73   -7.656  1 18.902 ? 117 B 1 .
ATOM 3369 C CD1  . TYR Bxp B 78  ? 17.284  19.461  -8.105  1 20.02  ? 117 B 1 .
ATOM 3370 C CD2  . TYR Bxp B 78  ? 18.795  21.295  -8.104  1 19.28  ? 117 B 1 .
ATOM 3371 C CE1  . TYR Bxp B 78  ? 18.115  18.761  -8.961  1 20.084 ? 117 B 1 .
ATOM 3372 C CE2  . TYR Bxp B 78  ? 19.65   20.601  -8.947  1 19.635 ? 117 B 1 .
ATOM 3373 C CZ   . TYR Bxp B 78  ? 19.296  19.337  -9.384  1 19.43  ? 117 B 1 .
ATOM 3374 O OH   . TYR Bxp B 78  ? 20.079  18.608  -10.205 1 19.233 ? 117 B 1 .
ATOM 3375 H H    . TYR Bxp B 78  ? 16.754  23.712  -8.074  1 20.111 ? 117 B 1 c
ATOM 3376 H HA   . TYR Bxp B 78  ? 15.164  21.399  -8.14   1 20     ? 117 B 1 c
ATOM 3377 H HB3  . TYR Bxp B 78  ? 16.278  20.866  -6.088  1 19.214 ? 117 B 1 c
ATOM 3378 H HB2  . TYR Bxp B 78  ? 17.163  22.193  -6.272  1 19.205 ? 117 B 1 c
ATOM 3379 H HD1  . TYR Bxp B 78  ? 16.473  19.067  -7.824  1 19.759 ? 117 B 1 c
ATOM 3380 H HD2  . TYR Bxp B 78  ? 19.038  22.156  -7.809  1 19.296 ? 117 B 1 c
ATOM 3381 H HE1  . TYR Bxp B 78  ? 17.88   17.896  -9.25   1 19.898 ? 117 B 1 c
ATOM 3382 H HE2  . TYR Bxp B 78  ? 20.454  20.995  -9.237  1 19.504 ? 117 B 1 c
ATOM 3383 H HH   . TYR Bxp B 78  ? 19.819  17.739  -10.059 0 14.63  ? 117 B 1 c
ATOM 3384 N N    . GLY Bxp B 79  ? 13.811  23.82   -7.31   1 20.436 ? 118 B 1 .
ATOM 3385 C CA   . GLY Bxp B 79  ? 12.578  24.381  -6.789  1 20.1   ? 118 B 1 .
ATOM 3386 C C    . GLY Bxp B 79  ? 12.634  24.576  -5.275  1 19.989 ? 118 B 1 .
ATOM 3387 O O    . GLY Bxp B 79  ? 11.729  24.14   -4.561  1 21.596 ? 118 B 1 .
ATOM 3388 H H    . GLY Bxp B 79  ? 14.193  24.219  -8.038  1 20.504 ? 118 B 1 c
ATOM 3389 H HA3  . GLY Bxp B 79  ? 11.83   23.779  -7.015  1 20.155 ? 118 B 1 c
ATOM 3390 H HA2  . GLY Bxp B 79  ? 12.411  25.249  -7.225  1 20.155 ? 118 B 1 c
ATOM 3391 N N    . VAL Bxp B 80  ? 13.711  25.219  -4.801  1 18.064 ? 119 B 1 .
ATOM 3392 C CA   . VAL Bxp B 80  ? 13.861  25.545  -3.392  1 16.981 ? 119 B 1 .
ATOM 3393 C C    . VAL Bxp B 80  ? 12.825  26.595  -2.998  1 16.127 ? 119 B 1 .
ATOM 3394 O O    . VAL Bxp B 80  ? 12.642  27.566  -3.724  1 16.713 ? 119 B 1 .
ATOM 3395 C CB   . VAL Bxp B 80  ? 15.269  26.067  -3.082  1 16.914 ? 119 B 1 .
ATOM 3396 C CG1  . VAL Bxp B 80  ? 15.297  26.828  -1.76   1 16.901 ? 119 B 1 .
ATOM 3397 C CG2  . VAL Bxp B 80  ? 16.297  24.947  -3.124  1 16.854 ? 119 B 1 .
ATOM 3398 H H    . VAL Bxp B 80  ? 14.373  25.466  -5.38   1 18.254 ? 119 B 1 c
ATOM 3399 H HA   . VAL Bxp B 80  ? 13.705  24.735  -2.868  1 17.014 ? 119 B 1 c
ATOM 3400 H HB   . VAL Bxp B 80  ? 15.502  26.708  -3.795  1 16.921 ? 119 B 1 c
ATOM 3401 H HG11 . VAL Bxp B 80  ? 14.848  26.305  -1.076  1 16.842 ? 119 B 1 c
ATOM 3402 H HG12 . VAL Bxp B 80  ? 14.85   27.684  -1.864  1 16.873 ? 119 B 1 c
ATOM 3403 H HG13 . VAL Bxp B 80  ? 16.22   26.979  -1.494  1 16.887 ? 119 B 1 c
ATOM 3404 H HG21 . VAL Bxp B 80  ? 17.18   25.309  -2.936  1 16.872 ? 119 B 1 c
ATOM 3405 H HG22 . VAL Bxp B 80  ? 16.297  24.538  -4.005  1 16.872 ? 119 B 1 c
ATOM 3406 H HG23 . VAL Bxp B 80  ? 16.075  24.277  -2.456  1 16.872 ? 119 B 1 c
ATOM 3407 N N    . ASN Bxp B 81  ? 12.197  26.401  -1.827  1 14.652 ? 120 B 1 .
ATOM 3408 C CA   . ASN Bxp B 81  ? 11.16   27.29   -1.314  1 13.137 ? 120 B 1 .
ATOM 3409 C C    . ASN Bxp B 81  ? 11.481  27.753  0.108   1 12.436 ? 120 B 1 .
ATOM 3410 O O    . ASN Bxp B 81  ? 10.595  28.247  0.801   1 12.301 ? 120 B 1 .
ATOM 3411 C CB   . ASN Bxp B 81  ? 9.788   26.626  -1.322  1 12.694 ? 120 B 1 .
ATOM 3412 C CG   . ASN Bxp B 81  ? 9.712   25.391  -0.448  1 12.233 ? 120 B 1 .
ATOM 3413 O OD1  . ASN Bxp B 81  ? 10.69   25.026  0.205   1 11.47  ? 120 B 1 .
ATOM 3414 N ND2  . ASN Bxp B 81  ? 8.563   24.732  -0.411  1 12.08  ? 120 B 1 .
ATOM 3415 H H    . ASN Bxp B 81  ? 12.428  25.674  -1.323  1 14.603 ? 120 B 1 c
ATOM 3416 H HA   . ASN Bxp B 81  ? 11.11   28.082  -1.895  1 13.234 ? 120 B 1 c
ATOM 3417 H HB3  . ASN Bxp B 81  ? 9.564   26.376  -2.241  1 12.685 ? 120 B 1 c
ATOM 3418 H HB2  . ASN Bxp B 81  ? 9.119   27.272  -1.018  1 12.683 ? 120 B 1 c
ATOM 3419 H HD21 . ASN Bxp B 81  ? 8.32    24.307  0.329   1 12.128 ? 120 B 1 c
ATOM 3420 H HD22 . ASN Bxp B 81  ? 8.039   24.716  -1.126  1 12.131 ? 120 B 1 c
ATOM 3421 N N    . PHE Bxp B 82  ? 12.753  27.619  0.519   1 11.677 ? 121 B 1 .
ATOM 3422 C CA   . PHE Bxp B 82  ? 13.147  27.812  1.902   1 10.996 ? 121 B 1 .
ATOM 3423 C C    . PHE Bxp B 82  ? 14.467  28.577  2.018   1 10.402 ? 121 B 1 .
ATOM 3424 O O    . PHE Bxp B 82  ? 15.275  28.628  1.101   1 10.202 ? 121 B 1 .
ATOM 3425 C CB   . PHE Bxp B 82  ? 13.232  26.439  2.577   1 10.968 ? 121 B 1 .
ATOM 3426 C CG   . PHE Bxp B 82  ? 14.231  25.48   1.956   1 10.953 ? 121 B 1 .
ATOM 3427 C CD1  . PHE Bxp B 82  ? 15.595  25.617  2.179   1 10.922 ? 121 B 1 .
ATOM 3428 C CD2  . PHE Bxp B 82  ? 13.791  24.427  1.173   1 11.505 ? 121 B 1 .
ATOM 3429 C CE1  . PHE Bxp B 82  ? 16.495  24.741  1.622   1 10.991 ? 121 B 1 .
ATOM 3430 C CE2  . PHE Bxp B 82  ? 14.694  23.544  0.607   1 11.568 ? 121 B 1 .
ATOM 3431 C CZ   . PHE Bxp B 82  ? 16.044  23.71   0.833   1 11.486 ? 121 B 1 .
ATOM 3432 H H    . PHE Bxp B 82  ? 13.4    27.418  -0.092  1 11.833 ? 121 B 1 c
ATOM 3433 H HA   . PHE Bxp B 82  ? 12.438  28.338  2.354   1 11.013 ? 121 B 1 c
ATOM 3434 H HB3  . PHE Bxp B 82  ? 12.342  26.026  2.548   1 10.964 ? 121 B 1 c
ATOM 3435 H HB2  . PHE Bxp B 82  ? 13.467  26.569  3.521   1 10.961 ? 121 B 1 c
ATOM 3436 H HD1  . PHE Bxp B 82  ? 15.908  26.327  2.715   1 10.952 ? 121 B 1 c
ATOM 3437 H HD2  . PHE Bxp B 82  ? 12.868  24.317  1.016   1 11.38  ? 121 B 1 c
ATOM 3438 H HE1  . PHE Bxp B 82  ? 17.417  24.853  1.772   1 11.13  ? 121 B 1 c
ATOM 3439 H HE2  . PHE Bxp B 82  ? 14.387  22.833  0.068   1 11.522 ? 121 B 1 c
ATOM 3440 H HZ   . PHE Bxp B 82  ? 16.661  23.106  0.451   1 11.382 ? 121 B 1 c
ATOM 3441 N N    . PRO Bxp B 83  ? 14.75   29.163  3.196   1 10.168 ? 122 B 1 .
ATOM 3442 C CA   . PRO Bxp B 83  ? 15.937  29.983  3.382   1 10.602 ? 122 B 1 .
ATOM 3443 C C    . PRO Bxp B 83  ? 17.273  29.269  3.179   1 10.692 ? 122 B 1 .
ATOM 3444 O O    . PRO Bxp B 83  ? 17.537  28.215  3.738   1 10.697 ? 122 B 1 .
ATOM 3445 C CB   . PRO Bxp B 83  ? 15.797  30.509  4.81    1 10.574 ? 122 B 1 .
ATOM 3446 C CG   . PRO Bxp B 83  ? 14.345  30.279  5.17    1 10.404 ? 122 B 1 .
ATOM 3447 C CD   . PRO Bxp B 83  ? 13.907  29.092  4.395   1 10.258 ? 122 B 1 .
ATOM 3448 H HA   . PRO Bxp B 83  ? 15.888  30.744  2.767   1 10.535 ? 122 B 1 c
ATOM 3449 H HB3  . PRO Bxp B 83  ? 16.018  31.46   4.853   1 10.541 ? 122 B 1 c
ATOM 3450 H HB2  . PRO Bxp B 83  ? 16.386  30.023  5.42    1 10.542 ? 122 B 1 c
ATOM 3451 H HG3  . PRO Bxp B 83  ? 13.804  31.058  4.933   1 10.412 ? 122 B 1 c
ATOM 3452 H HG2  . PRO Bxp B 83  ? 14.251  30.113  6.128   1 10.432 ? 122 B 1 c
ATOM 3453 H HD3  . PRO Bxp B 83  ? 14.07   28.264  4.887   1 10.281 ? 122 B 1 c
ATOM 3454 H HD2  . PRO Bxp B 83  ? 12.961  29.152  4.165   1 10.282 ? 122 B 1 c
ATOM 3455 N N    . VAL Bxp B 84  ? 18.122  29.901  2.38    1 11.137 ? 123 B 1 .
ATOM 3456 C CA   . VAL Bxp B 84  ? 19.478  29.463  2.143   1 11.669 ? 123 B 1 .
ATOM 3457 C C    . VAL Bxp B 84  ? 20.409  30.611  2.496   1 12.249 ? 123 B 1 .
ATOM 3458 O O    . VAL Bxp B 84  ? 20.11   31.752  2.173   1 11.976 ? 123 B 1 .
ATOM 3459 C CB   . VAL Bxp B 84  ? 19.62   29.121  0.654   1 12.147 ? 123 B 1 .
ATOM 3460 C CG1  . VAL Bxp B 84  ? 21.08   28.898  0.273   1 12.597 ? 123 B 1 .
ATOM 3461 C CG2  . VAL Bxp B 84  ? 18.735  27.952  0.236   1 12.334 ? 123 B 1 .
ATOM 3462 H H    . VAL Bxp B 84  ? 17.837  30.657  1.953   1 11.145 ? 123 B 1 c
ATOM 3463 H HA   . VAL Bxp B 84  ? 19.679  28.682  2.689   1 11.749 ? 123 B 1 c
ATOM 3464 H HB   . VAL Bxp B 84  ? 19.309  29.91   0.152   1 12.174 ? 123 B 1 c
ATOM 3465 H HG11 . VAL Bxp B 84  ? 21.539  28.437  0.994   1 12.448 ? 123 B 1 c
ATOM 3466 H HG12 . VAL Bxp B 84  ? 21.51   29.755  0.111   1 12.455 ? 123 B 1 c
ATOM 3467 H HG13 . VAL Bxp B 84  ? 21.125  28.359  -0.534  1 12.44  ? 123 B 1 c
ATOM 3468 H HG21 . VAL Bxp B 84  ? 18.822  27.804  -0.72   1 12.308 ? 123 B 1 c
ATOM 3469 H HG22 . VAL Bxp B 84  ? 17.809  28.151  0.449   1 12.268 ? 123 B 1 c
ATOM 3470 H HG23 . VAL Bxp B 84  ? 19.01   27.151  0.711   1 12.287 ? 123 B 1 c
ATOM 3471 N N    . VAL Bxp B 85  ? 21.556  30.301  3.102   1 13.468 ? 124 B 1 .
ATOM 3472 C CA   . VAL Bxp B 85  ? 22.532  31.321  3.442   1 15.228 ? 124 B 1 .
ATOM 3473 C C    . VAL Bxp B 85  ? 23.917  30.898  2.956   1 17.624 ? 124 B 1 .
ATOM 3474 O O    . VAL Bxp B 85  ? 24.152  29.714  2.69    1 18.225 ? 124 B 1 .
ATOM 3475 C CB   . VAL Bxp B 85  ? 22.56   31.609  4.952   1 15.679 ? 124 B 1 .
ATOM 3476 C CG1  . VAL Bxp B 85  ? 21.189  32.025  5.476   1 16.231 ? 124 B 1 .
ATOM 3477 C CG2  . VAL Bxp B 85  ? 23.106  30.435  5.752   1 15.592 ? 124 B 1 .
ATOM 3478 H H    . VAL Bxp B 85  ? 21.739  29.429  3.306   1 13.523 ? 124 B 1 c
ATOM 3479 H HA   . VAL Bxp B 85  ? 22.29   32.143  2.98    1 15.365 ? 124 B 1 c
ATOM 3480 H HB   . VAL Bxp B 85  ? 23.171  32.37   5.089   1 15.697 ? 124 B 1 c
ATOM 3481 H HG11 . VAL Bxp B 85  ? 20.599  31.253  5.492   1 16.063 ? 124 B 1 c
ATOM 3482 H HG12 . VAL Bxp B 85  ? 20.812  32.707  4.896   1 16.109 ? 124 B 1 c
ATOM 3483 H HG13 . VAL Bxp B 85  ? 21.28   32.38   6.376   1 16.074 ? 124 B 1 c
ATOM 3484 H HG21 . VAL Bxp B 85  ? 22.852  30.532  6.685   1 15.617 ? 124 B 1 c
ATOM 3485 H HG22 . VAL Bxp B 85  ? 24.075  30.416  5.682   1 15.668 ? 124 B 1 c
ATOM 3486 H HG23 . VAL Bxp B 85  ? 22.741  29.605  5.403   1 15.545 ? 124 B 1 c
ATOM 3487 N N    . LEU Bxp B 86  ? 24.835  31.884  2.907   1 18.636 ? 125 B 1 .
ATOM 3488 C CA   . LEU Bxp B 86  ? 26.092  31.769  2.183   1 19.809 ? 125 B 1 .
ATOM 3489 C C    . LEU Bxp B 86  ? 27.268  31.811  3.149   1 21.325 ? 125 B 1 .
ATOM 3490 O O    . LEU Bxp B 86  ? 27.61   32.869  3.641   1 24.231 ? 125 B 1 .
ATOM 3491 C CB   . LEU Bxp B 86  ? 26.203  32.924  1.192   1 20.241 ? 125 B 1 .
ATOM 3492 C CG   . LEU Bxp B 86  ? 25.143  32.976  0.089   1 21.144 ? 125 B 1 .
ATOM 3493 C CD1  . LEU Bxp B 86  ? 25.003  34.363  -0.485  1 21.301 ? 125 B 1 .
ATOM 3494 C CD2  . LEU Bxp B 86  ? 25.501  32.018  -1.013  1 22.5   ? 125 B 1 .
ATOM 3495 H H    . LEU Bxp B 86  ? 24.661  32.667  3.346   1 18.577 ? 125 B 1 c
ATOM 3496 H HA   . LEU Bxp B 86  ? 26.103  30.91   1.69    1 19.939 ? 125 B 1 c
ATOM 3497 H HB3  . LEU Bxp B 86  ? 27.091  32.881  0.768   1 20.364 ? 125 B 1 c
ATOM 3498 H HB2  . LEU Bxp B 86  ? 26.161  33.768  1.7     1 20.371 ? 125 B 1 c
ATOM 3499 H HG   . LEU Bxp B 86  ? 24.271  32.704  0.474   1 21.237 ? 125 B 1 c
ATOM 3500 H HD11 . LEU Bxp B 86  ? 24.683  34.969  0.204   1 21.254 ? 125 B 1 c
ATOM 3501 H HD12 . LEU Bxp B 86  ? 24.37   34.347  -1.221  1 21.254 ? 125 B 1 c
ATOM 3502 H HD13 . LEU Bxp B 86  ? 25.867  34.67   -0.808  1 21.254 ? 125 B 1 c
ATOM 3503 H HD21 . LEU Bxp B 86  ? 25.622  31.127  -0.643  1 22.072 ? 125 B 1 c
ATOM 3504 H HD22 . LEU Bxp B 86  ? 26.326  32.305  -1.439  1 22.083 ? 125 B 1 c
ATOM 3505 H HD23 . LEU Bxp B 86  ? 24.787  31.999  -1.672  1 22.083 ? 125 B 1 c
ATOM 3506 N N    . ASP Bxp B 87  ? 27.93   30.677  3.376   1 22.795 ? 126 B 1 .
ATOM 3507 C CA   . ASP Bxp B 87  ? 29.133  30.617  4.196   1 22.907 ? 126 B 1 .
ATOM 3508 C C    . ASP Bxp B 87  ? 30.353  30.793  3.294   1 22.784 ? 126 B 1 .
ATOM 3509 O O    . ASP Bxp B 87  ? 31.165  29.88   3.174   1 23.088 ? 126 B 1 .
ATOM 3510 C CB   . ASP Bxp B 87  ? 29.206  29.291  4.945   1 24.058 ? 126 B 1 .
ATOM 3511 C CG   . ASP Bxp B 87  ? 30.286  29.147  6.016   1 26.709 ? 126 B 1 .
ATOM 3512 O OD1  . ASP Bxp B 87  ? 30.915  30.175  6.416   1 29.278 ? 126 B 1 .
ATOM 3513 O OD2  . ASP Bxp B 87  ? 30.499  27.994  6.461   1 29.082 ? 126 B 1 .
ATOM 3514 H H    . ASP Bxp B 87  ? 27.618  29.902  3.004   1 22.429 ? 126 B 1 c
ATOM 3515 H HA   . ASP Bxp B 87  ? 29.108  31.351  4.851   1 23.093 ? 126 B 1 c
ATOM 3516 H HB3  . ASP Bxp B 87  ? 29.328  28.568  4.295   1 24.3   ? 126 B 1 c
ATOM 3517 H HB2  . ASP Bxp B 87  ? 28.341  29.146  5.382   1 24.355 ? 126 B 1 c
ATOM 3518 N N    . THR Bxp B 88  ? 30.498  31.978  2.681   1 22.55  ? 127 B 1 .
ATOM 3519 C CA   . THR Bxp B 88  ? 31.449  32.159  1.586   1 22.425 ? 127 B 1 .
ATOM 3520 C C    . THR Bxp B 88  ? 32.866  31.773  2.016   1 22.683 ? 127 B 1 .
ATOM 3521 O O    . THR Bxp B 88  ? 33.571  31.134  1.255   1 23.417 ? 127 B 1 .
ATOM 3522 C CB   . THR Bxp B 88  ? 31.416  33.555  0.959   1 21.529 ? 127 B 1 .
ATOM 3523 O OG1  . THR Bxp B 88  ? 31.498  34.522  1.999   1 20.747 ? 127 B 1 .
ATOM 3524 C CG2  . THR Bxp B 88  ? 30.168  33.808  0.13    1 21.105 ? 127 B 1 .
ATOM 3525 H H    . THR Bxp B 88  ? 29.996  32.691  2.954   1 22.566 ? 127 B 1 c
ATOM 3526 H HA   . THR Bxp B 88  ? 31.183  31.534  0.882   1 22.289 ? 127 B 1 c
ATOM 3527 H HB   . THR Bxp B 88  ? 32.201  33.657  0.368   1 21.461 ? 127 B 1 c
ATOM 3528 H HG1  . THR Bxp B 88  ? 30.857  34.736  2.787   0 19.27  ? 127 B 1 c
ATOM 3529 H HG21 . THR Bxp B 88  ? 30.162  34.731  -0.174  1 21.23  ? 127 B 1 c
ATOM 3530 H HG22 . THR Bxp B 88  ? 29.379  33.64   0.672   1 21.23  ? 127 B 1 c
ATOM 3531 H HG23 . THR Bxp B 88  ? 30.163  33.214  -0.639  1 21.23  ? 127 B 1 c
ATOM 3532 N N    . ASP Bxp B 89  ? 33.298  32.098  3.228   1 23.923 ? 128 B 1 .
ATOM 3533 C CA   . ASP Bxp B 89  ? 34.664  31.773  3.601   1 27.436 ? 128 B 1 .
ATOM 3534 C C    . ASP Bxp B 89  ? 34.703  30.594  4.571   1 25.383 ? 128 B 1 .
ATOM 3535 O O    . ASP Bxp B 89  ? 35.706  30.379  5.232   1 25.543 ? 128 B 1 .
ATOM 3536 C CB   . ASP Bxp B 89  ? 35.406  33.019  4.066   1 34.408 ? 128 B 1 .
ATOM 3537 C CG   . ASP Bxp B 89  ? 34.937  33.66   5.372   1 43.133 ? 128 B 1 .
ATOM 3538 O OD1  . ASP Bxp B 89  ? 34.3    32.963  6.2     1 47.724 ? 128 B 1 .
ATOM 3539 O OD2  . ASP Bxp B 89  ? 35.178  34.887  5.546   1 51.799 ? 128 B 1 .
ATOM 3540 H H    . ASP Bxp B 89  ? 32.753  32.525  3.824   1 24.43  ? 128 B 1 c
ATOM 3541 H HA   . ASP Bxp B 89  ? 35.139  31.494  2.787   1 27.451 ? 128 B 1 c
ATOM 3542 H HB3  . ASP Bxp B 89  ? 35.339  33.696  3.361   1 34.399 ? 128 B 1 c
ATOM 3543 H HB2  . ASP Bxp B 89  ? 36.353  32.791  4.169   1 34.358 ? 128 B 1 c
ATOM 3544 N N    . ARG Bxp B 90  ? 33.594  29.87   4.697   1 25.23  ? 129 B 1 .
ATOM 3545 C CA   . ARG Bxp B 90  ? 33.567  28.526  5.26    1 26.59  ? 129 B 1 .
ATOM 3546 C C    . ARG Bxp B 90  ? 33.819  28.475  6.773   1 25.828 ? 129 B 1 .
ATOM 3547 O O    . ARG Bxp B 90  ? 34.094  27.4    7.307   1 23.517 ? 129 B 1 .
ATOM 3548 C CB   . ARG Bxp B 90  ? 34.554  27.626  4.515   1 28.352 ? 129 B 1 .
ATOM 3549 C CG   . ARG Bxp B 90  ? 34.411  27.696  2.998   1 31.259 ? 129 B 1 .
ATOM 3550 C CD   . ARG Bxp B 90  ? 35.482  26.903  2.279   1 32.356 ? 129 B 1 .
ATOM 3551 N NE   . ARG Bxp B 90  ? 35.684  25.637  2.998   1 31.542 ? 129 B 1 .
ATOM 3552 C CZ   . ARG Bxp B 90  ? 35.194  24.46   2.649   1 29.521 ? 129 B 1 .
ATOM 3553 N NH1  . ARG Bxp B 90  ? 34.425  24.371  1.578   1 29.658 ? 129 B 1 .
ATOM 3554 N NH2  . ARG Bxp B 90  ? 35.461  23.392  3.381   1 27.652 ? 129 B 1 .
ATOM 3555 H H    . ARG Bxp B 90  ? 32.802  30.236  4.429   1 25.525 ? 129 B 1 c
ATOM 3556 H HA   . ARG Bxp B 90  ? 32.666  28.154  5.095   1 26.509 ? 129 B 1 c
ATOM 3557 H HB3  . ARG Bxp B 90  ? 34.409  26.7    4.804   1 28.567 ? 129 B 1 c
ATOM 3558 H HB2  . ARG Bxp B 90  ? 35.47   27.876  4.762   1 28.539 ? 129 B 1 c
ATOM 3559 H HG3  . ARG Bxp B 90  ? 34.461  28.632  2.707   1 30.754 ? 129 B 1 c
ATOM 3560 H HG2  . ARG Bxp B 90  ? 33.529  27.348  2.741   1 30.805 ? 129 B 1 c
ATOM 3561 H HD3  . ARG Bxp B 90  ? 36.32   27.409  2.267   1 31.905 ? 129 B 1 c
ATOM 3562 H HD2  . ARG Bxp B 90  ? 35.215  26.725  1.355   1 31.869 ? 129 B 1 c
ATOM 3563 H HE   . ARG Bxp B 90  ? 36.185  25.656  3.711   1 31.144 ? 129 B 1 c
ATOM 3564 H HH11 . ARG Bxp B 90  ? 33.85   25.013  1.386   1 29.453 ? 129 B 1 c
ATOM 3565 H HH12 . ARG Bxp B 90  ? 34.491  23.663  1.053   1 29.577 ? 129 B 1 c
ATOM 3566 H HH21 . ARG Bxp B 90  ? 36.281  23.26   3.683   1 28.236 ? 129 B 1 c
ATOM 3567 H HH22 . ARG Bxp B 90  ? 34.817  22.814  3.566   1 28.219 ? 129 B 1 c
ATOM 3568 N N    . GLN Bxp B 91  ? 33.635  29.589  7.49    1 24.765 ? 130 B 1 .
ATOM 3569 C CA   . GLN Bxp B 91  ? 33.975  29.605  8.903   1 24.409 ? 130 B 1 .
ATOM 3570 C C    . GLN Bxp B 91  ? 32.877  28.927  9.711   1 21.173 ? 130 B 1 .
ATOM 3571 O O    . GLN Bxp B 91  ? 33.176  28.262  10.695  1 20.985 ? 130 B 1 .
ATOM 3572 C CB   . GLN Bxp B 91  ? 34.228  31.006  9.449   1 26.797 ? 130 B 1 .
ATOM 3573 C CG   . GLN Bxp B 91  ? 35.332  31.752  8.708   1 28.182 ? 130 B 1 .
ATOM 3574 C CD   . GLN Bxp B 91  ? 35.514  33.162  9.219   1 27.878 ? 130 B 1 .
ATOM 3575 O OE1  . GLN Bxp B 91  ? 35.02   33.534  10.291  1 26.583 ? 130 B 1 .
ATOM 3576 N NE2  . GLN Bxp B 91  ? 36.266  33.946  8.464   1 28.359 ? 130 B 1 .
ATOM 3577 H H    . GLN Bxp B 91  ? 33.289  30.34   7.103   1 24.938 ? 130 B 1 c
ATOM 3578 H HA   . GLN Bxp B 91  ? 34.81   29.085  9.023   1 24.265 ? 130 B 1 c
ATOM 3579 H HB3  . GLN Bxp B 91  ? 34.47   30.936  10.396  1 26.535 ? 130 B 1 c
ATOM 3580 H HB2  . GLN Bxp B 91  ? 33.398  31.523  9.39    1 26.535 ? 130 B 1 c
ATOM 3581 H HG3  . GLN Bxp B 91  ? 35.122  31.778  7.754   1 27.908 ? 130 B 1 c
ATOM 3582 H HG2  . GLN Bxp B 91  ? 36.177  31.266  8.815   1 27.815 ? 130 B 1 c
ATOM 3583 H HE21 . GLN Bxp B 91  ? 36.536  34.732  8.773   1 28.214 ? 130 B 1 c
ATOM 3584 H HE22 . GLN Bxp B 91  ? 36.487  33.689  7.648   1 28.279 ? 130 B 1 c
ATOM 3585 N N    . VAL Bxp B 92  ? 31.624  29.096  9.293   1 18.51  ? 131 B 1 .
ATOM 3586 C CA   . VAL Bxp B 92  ? 30.509  28.503  10.012  1 17.487 ? 131 B 1 .
ATOM 3587 C C    . VAL Bxp B 92  ? 30.634  26.983  9.969   1 17.13  ? 131 B 1 .
ATOM 3588 O O    . VAL Bxp B 92  ? 30.359  26.285  10.938  1 17.033 ? 131 B 1 .
ATOM 3589 C CB   . VAL Bxp B 92  ? 29.169  28.969  9.419   1 16.935 ? 131 B 1 .
ATOM 3590 C CG1  . VAL Bxp B 92  ? 27.978  28.385  10.167  1 16.559 ? 131 B 1 .
ATOM 3591 C CG2  . VAL Bxp B 92  ? 29.074  30.489  9.36    1 16.843 ? 131 B 1 .
ATOM 3592 H H    . VAL Bxp B 92  ? 31.457  29.592  8.544   1 18.934 ? 131 B 1 c
ATOM 3593 H HA   . VAL Bxp B 92  ? 30.554  28.793  10.944  1 17.545 ? 131 B 1 c
ATOM 3594 H HB   . VAL Bxp B 92  ? 29.129  28.632  8.496   1 17.038 ? 131 B 1 c
ATOM 3595 H HG11 . VAL Bxp B 92  ? 28.125  28.465  11.124  1 16.654 ? 131 B 1 c
ATOM 3596 H HG12 . VAL Bxp B 92  ? 27.875  27.447  9.933   1 16.603 ? 131 B 1 c
ATOM 3597 H HG13 . VAL Bxp B 92  ? 27.17   28.867  9.923   1 16.656 ? 131 B 1 c
ATOM 3598 H HG21 . VAL Bxp B 92  ? 28.141  30.76   9.37    1 16.903 ? 131 B 1 c
ATOM 3599 H HG22 . VAL Bxp B 92  ? 29.494  30.809  8.545   1 16.957 ? 131 B 1 c
ATOM 3600 H HG23 . VAL Bxp B 92  ? 29.529  30.873  10.129  1 16.896 ? 131 B 1 c
ATOM 3601 N N    . LEU Bxp B 93  ? 31.041  26.469  8.818   1 17.848 ? 132 B 1 .
ATOM 3602 C CA   . LEU Bxp B 93  ? 31.29   25.05   8.662   1 18.979 ? 132 B 1 .
ATOM 3603 C C    . LEU Bxp B 93  ? 32.331  24.55   9.661   1 18.449 ? 132 B 1 .
ATOM 3604 O O    . LEU Bxp B 93  ? 32.169  23.48   10.222  1 16.536 ? 132 B 1 .
ATOM 3605 C CB   . LEU Bxp B 93  ? 31.789  24.805  7.249   1 20.565 ? 132 B 1 .
ATOM 3606 C CG   . LEU Bxp B 93  ? 32.235  23.365  7.012   1 22.416 ? 132 B 1 .
ATOM 3607 C CD1  . LEU Bxp B 93  ? 31.222  22.646  6.167   1 23.897 ? 132 B 1 .
ATOM 3608 C CD2  . LEU Bxp B 93  ? 33.602  23.313  6.411   1 23.181 ? 132 B 1 .
ATOM 3609 H H    . LEU Bxp B 93  ? 31.159  27.018  8.096   1 17.96  ? 132 B 1 c
ATOM 3610 H HA   . LEU Bxp B 93  ? 30.441  24.56   8.803   1 18.932 ? 132 B 1 c
ATOM 3611 H HB3  . LEU Bxp B 93  ? 32.551  25.405  7.078   1 20.623 ? 132 B 1 c
ATOM 3612 H HB2  . LEU Bxp B 93  ? 31.064  25.024  6.619   1 20.631 ? 132 B 1 c
ATOM 3613 H HG   . LEU Bxp B 93  ? 32.274  22.9    7.885   1 22.387 ? 132 B 1 c
ATOM 3614 H HD11 . LEU Bxp B 93  ? 30.386  22.569  6.657   1 23.484 ? 132 B 1 c
ATOM 3615 H HD12 . LEU Bxp B 93  ? 31.551  21.758  5.95    1 23.434 ? 132 B 1 c
ATOM 3616 H HD13 . LEU Bxp B 93  ? 31.07   23.142  5.348   1 23.366 ? 132 B 1 c
ATOM 3617 H HD21 . LEU Bxp B 93  ? 34.249  23.661  7.046   1 22.972 ? 132 B 1 c
ATOM 3618 H HD22 . LEU Bxp B 93  ? 33.622  23.85   5.601   1 22.939 ? 132 B 1 c
ATOM 3619 H HD23 . LEU Bxp B 93  ? 33.826  22.392  6.193   1 22.954 ? 132 B 1 c
ATOM 3620 N N    . ASP Bxp B 94  ? 33.429  25.299  9.821   1 19.54  ? 133 B 1 .
ATOM 3621 C CA   . ASP Bxp B 94  ? 34.485  24.939  10.758  1 20.537 ? 133 B 1 .
ATOM 3622 C C    . ASP Bxp B 94  ? 33.989  25.102  12.191  1 19.681 ? 133 B 1 .
ATOM 3623 O O    . ASP Bxp B 94  ? 34.356  24.333  13.076  1 19.531 ? 133 B 1 .
ATOM 3624 C CB   . ASP Bxp B 94  ? 35.723  25.795  10.557  1 22.795 ? 133 B 1 .
ATOM 3625 C CG   . ASP Bxp B 94  ? 36.349  25.733  9.171   1 26.244 ? 133 B 1 .
ATOM 3626 O OD1  . ASP Bxp B 94  ? 36.145  24.715  8.473   1 28.016 ? 133 B 1 .
ATOM 3627 O OD2  . ASP Bxp B 94  ? 37.018  26.721  8.786   1 30.028 ? 133 B 1 .
ATOM 3628 H H    . ASP Bxp B 94  ? 33.523  26.063  9.328   1 19.528 ? 133 B 1 c
ATOM 3629 H HA   . ASP Bxp B 94  ? 34.727  23.996  10.61   1 20.572 ? 133 B 1 c
ATOM 3630 H HB3  . ASP Bxp B 94  ? 36.402  25.521  11.21   1 22.967 ? 133 B 1 c
ATOM 3631 H HB2  . ASP Bxp B 94  ? 35.489  26.728  10.741  1 22.967 ? 133 B 1 c
ATOM 3632 N N    . ALA Bxp B 95  ? 33.158  26.13   12.406  1 18.829 ? 134 B 1 .
ATOM 3633 C CA   . ALA Bxp B 95  ? 32.515  26.36   13.687  1 17.879 ? 134 B 1 .
ATOM 3634 C C    . ALA Bxp B 95  ? 31.676  25.15   14.085  1 16.944 ? 134 B 1 .
ATOM 3635 O O    . ALA Bxp B 95  ? 31.584  24.836  15.249  1 15.991 ? 134 B 1 .
ATOM 3636 C CB   . ALA Bxp B 95  ? 31.682  27.623  13.628  1 17.944 ? 134 B 1 .
ATOM 3637 H H    . ALA Bxp B 95  ? 32.994  26.716  11.725  1 18.81  ? 134 B 1 c
ATOM 3638 H HA   . ALA Bxp B 95  ? 33.229  26.478  14.372  1 17.895 ? 134 B 1 c
ATOM 3639 H HB3  . ALA Bxp B 95  ? 31.468  27.915  14.53   1 17.927 ? 134 B 1 c
ATOM 3640 H HB2  . ALA Bxp B 95  ? 30.858  27.45   13.144  1 17.919 ? 134 B 1 c
ATOM 3641 H HB1  . ALA Bxp B 95  ? 32.18   28.324  13.175  1 17.943 ? 134 B 1 c
ATOM 3642 N N    . TYR Bxp B 96  ? 31.081  24.463  13.115  1 17.822 ? 135 B 1 .
ATOM 3643 C CA   . TYR Bxp B 96  ? 30.216  23.323  13.387  1 18.791 ? 135 B 1 .
ATOM 3644 C C    . TYR Bxp B 96  ? 30.965  21.993  13.291  1 21.632 ? 135 B 1 .
ATOM 3645 O O    . TYR Bxp B 96  ? 30.376  20.94   13.557  1 20.761 ? 135 B 1 .
ATOM 3646 C CB   . TYR Bxp B 96  ? 29.016  23.361  12.429  1 17.417 ? 135 B 1 .
ATOM 3647 C CG   . TYR Bxp B 96  ? 27.854  24.076  13.09   1 15.693 ? 135 B 1 .
ATOM 3648 C CD1  . TYR Bxp B 96  ? 27.769  25.466  13.074  1 14.736 ? 135 B 1 .
ATOM 3649 C CD2  . TYR Bxp B 96  ? 26.895  23.353  13.796  1 14.672 ? 135 B 1 .
ATOM 3650 C CE1  . TYR Bxp B 96  ? 26.734  26.125  13.712  1 14.371 ? 135 B 1 .
ATOM 3651 C CE2  . TYR Bxp B 96  ? 25.861  24.003  14.442  1 14.544 ? 135 B 1 .
ATOM 3652 C CZ   . TYR Bxp B 96  ? 25.78   25.389  14.394  1 14.554 ? 135 B 1 .
ATOM 3653 O OH   . TYR Bxp B 96  ? 24.772  26.042  15.047  1 14.882 ? 135 B 1 .
ATOM 3654 H H    . TYR Bxp B 96  ? 31.203  24.72   12.247  1 17.882 ? 135 B 1 c
ATOM 3655 H HA   . TYR Bxp B 96  ? 29.87   23.413  14.315  1 18.774 ? 135 B 1 c
ATOM 3656 H HB3  . TYR Bxp B 96  ? 28.749  22.443  12.206  1 17.437 ? 135 B 1 c
ATOM 3657 H HB2  . TYR Bxp B 96  ? 29.269  23.835  11.605  1 17.334 ? 135 B 1 c
ATOM 3658 H HD1  . TYR Bxp B 96  ? 28.421  25.967  12.611  1 14.885 ? 135 B 1 c
ATOM 3659 H HD2  . TYR Bxp B 96  ? 26.95   22.411  13.832  1 14.879 ? 135 B 1 c
ATOM 3660 H HE1  . TYR Bxp B 96  ? 26.682  27.065  13.689  1 14.493 ? 135 B 1 c
ATOM 3661 H HE2  . TYR Bxp B 96  ? 25.21   23.509  14.91   1 14.59  ? 135 B 1 c
ATOM 3662 H HH   . TYR Bxp B 96  ? 24.867  26.862  14.957  0 11.41  ? 135 B 1 c
ATOM 3663 N N    . ASP Bxp B 97  ? 32.225  22.043  12.835  1 25.774 ? 136 B 1 .
ATOM 3664 C CA   . ASP Bxp B 97  ? 33.09   20.872  12.744  1 30.401 ? 136 B 1 .
ATOM 3665 C C    . ASP Bxp B 97  ? 32.588  19.856  11.706  1 31.178 ? 136 B 1 .
ATOM 3666 O O    . ASP Bxp B 97  ? 32.898  18.673  11.79   1 29.244 ? 136 B 1 .
ATOM 3667 C CB   . ASP Bxp B 97  ? 33.294  20.279  14.129  1 33.886 ? 136 B 1 .
ATOM 3668 C CG   . ASP Bxp B 97  ? 34.565  19.462  14.302  1 38.314 ? 136 B 1 .
ATOM 3669 O OD1  . ASP Bxp B 97  ? 35.371  19.424  13.344  1 43.092 ? 136 B 1 .
ATOM 3670 O OD2  . ASP Bxp B 97  ? 34.742  18.878  15.391  1 40.817 ? 136 B 1 .
ATOM 3671 H H    . ASP Bxp B 97  ? 32.56   22.845  12.557  1 25.367 ? 136 B 1 c
ATOM 3672 H HA   . ASP Bxp B 97  ? 33.973  21.185  12.446  1 30.292 ? 136 B 1 c
ATOM 3673 H HB3  . ASP Bxp B 97  ? 32.533  19.698  14.34   1 33.875 ? 136 B 1 c
ATOM 3674 H HB2  . ASP Bxp B 97  ? 33.308  21.007  14.785  1 33.861 ? 136 B 1 c
ATOM 3675 N N    . VAL Bxp B 98  ? 31.838  20.342  10.712  1 34.426 ? 137 B 1 .
ATOM 3676 C CA   . VAL Bxp B 98  ? 31.394  19.573  9.564   1 34.472 ? 137 B 1 .
ATOM 3677 C C    . VAL Bxp B 98  ? 32.578  19.448  8.621   1 37.593 ? 137 B 1 .
ATOM 3678 O O    . VAL Bxp B 98  ? 33.341  20.393  8.477   1 36.637 ? 137 B 1 .
ATOM 3679 C CB   . VAL Bxp B 98  ? 30.253  20.361  8.885   1 34.036 ? 137 B 1 .
ATOM 3680 C CG1  . VAL Bxp B 98  ? 29.761  19.698  7.613   1 35.482 ? 137 B 1 .
ATOM 3681 C CG2  . VAL Bxp B 98  ? 29.072  20.624  9.808   1 34.075 ? 137 B 1 .
ATOM 3682 H H    . VAL Bxp B 98  ? 31.607  21.225  10.745  1 33.468 ? 137 B 1 c
ATOM 3683 H HA   . VAL Bxp B 98  ? 31.082  18.691  9.845   1 34.956 ? 137 B 1 c
ATOM 3684 H HB   . VAL Bxp B 98  ? 30.625  21.238  8.63    1 34.266 ? 137 B 1 c
ATOM 3685 H HG11 . VAL Bxp B 98  ? 29.624  18.749  7.773   1 35.035 ? 137 B 1 c
ATOM 3686 H HG12 . VAL Bxp B 98  ? 30.422  19.815  6.909   1 35.007 ? 137 B 1 c
ATOM 3687 H HG13 . VAL Bxp B 98  ? 28.922  20.103  7.336   1 35.02  ? 137 B 1 c
ATOM 3688 H HG21 . VAL Bxp B 98  ? 28.308  20.911  9.284   1 33.406 ? 137 B 1 c
ATOM 3689 H HG22 . VAL Bxp B 98  ? 29.307  21.319  10.443  1 33.532 ? 137 B 1 c
ATOM 3690 H HG23 . VAL Bxp B 98  ? 28.849  19.809  10.288  1 33.4   ? 137 B 1 c
ATOM 3691 N N    . SER Bxp B 99  ? 32.718  18.314  7.936   1 45.302 ? 138 B 1 .
ATOM 3692 C CA   . SER Bxp B 99  ? 33.68   18.27   6.846   1 50.021 ? 138 B 1 .
ATOM 3693 C C    . SER Bxp B 99  ? 33.023  17.747  5.552   1 46.921 ? 138 B 1 .
ATOM 3694 O O    . SER Bxp B 99  ? 32.97   18.51   4.578   1 43.09  ? 138 B 1 .
ATOM 3695 C CB   . SER Bxp B 99  ? 34.986  17.594  7.32    1 53.059 ? 138 B 1 .
ATOM 3696 O OG   . SER Bxp B 99  ? 35.592  16.768  6.33    1 56.001 ? 138 B 1 .
ATOM 3697 H H    . SER Bxp B 99  ? 32.224  17.573  8.141   1 44.116 ? 138 B 1 c
ATOM 3698 H HA   . SER Bxp B 99  ? 33.921  19.212  6.654   1 48.803 ? 138 B 1 c
ATOM 3699 H HB3  . SER Bxp B 99  ? 34.794  17.054  8.11    1 52.911 ? 138 B 1 c
ATOM 3700 H HB2  . SER Bxp B 99  ? 35.62   18.287  7.586   1 53.023 ? 138 B 1 c
ATOM 3701 H HG   . SER Bxp B 99  ? 36.393  16.673  6.723   0 32.8   ? 138 B 1 c
ATOM 3702 N N    . PRO Bxp B 100 ? 32.472  16.495  5.46    1 43.371 ? 139 B 1 .
ATOM 3703 C CA   . PRO Bxp B 100 ? 31.848  16.002  4.232   1 39.632 ? 139 B 1 .
ATOM 3704 C C    . PRO Bxp B 100 ? 30.317  16.111  4.215   1 35.679 ? 139 B 1 .
ATOM 3705 O O    . PRO Bxp B 100 ? 29.629  15.893  5.209   1 30.39  ? 139 B 1 .
ATOM 3706 C CB   . PRO Bxp B 100 ? 32.408  14.576  4.151   1 39.791 ? 139 B 1 .
ATOM 3707 C CG   . PRO Bxp B 100 ? 33.07   14.304  5.518   1 39.795 ? 139 B 1 .
ATOM 3708 C CD   . PRO Bxp B 100 ? 32.587  15.395  6.429   1 40.63  ? 139 B 1 .
ATOM 3709 H HA   . PRO Bxp B 100 ? 32.204  16.509  3.472   1 39.57  ? 139 B 1 c
ATOM 3710 H HB3  . PRO Bxp B 100 ? 33.063  14.504  3.43    1 39.751 ? 139 B 1 c
ATOM 3711 H HB2  . PRO Bxp B 100 ? 31.692  13.933  3.981   1 39.732 ? 139 B 1 c
ATOM 3712 H HG3  . PRO Bxp B 100 ? 34.045  14.33   5.442   1 39.985 ? 139 B 1 c
ATOM 3713 H HG2  . PRO Bxp B 100 ? 32.805  13.428  5.863   1 39.985 ? 139 B 1 c
ATOM 3714 H HD3  . PRO Bxp B 100 ? 31.721  15.182  6.828   1 41.091 ? 139 B 1 c
ATOM 3715 H HD2  . PRO Bxp B 100 ? 33.234  15.599  7.129   1 41.222 ? 139 B 1 c
ATOM 3716 N N    . LEU Bxp B 101 ? 29.791  16.435  3.035   1 33.686 ? 140 B 1 .
ATOM 3717 C CA   . LEU Bxp B 101 ? 28.51   17.106  2.922   1 31.315 ? 140 B 1 .
ATOM 3718 C C    . LEU Bxp B 101 ? 27.55   16.22   2.139   1 31.339 ? 140 B 1 .
ATOM 3719 O O    . LEU Bxp B 101 ? 27.983  15.435  1.307   1 30.547 ? 140 B 1 .
ATOM 3720 C CB   . LEU Bxp B 101 ? 28.697  18.447  2.207   1 28.284 ? 140 B 1 .
ATOM 3721 C CG   . LEU Bxp B 101 ? 29.552  19.503  2.911   1 25.847 ? 140 B 1 .
ATOM 3722 C CD1  . LEU Bxp B 101 ? 29.44   20.806  2.165   1 25.527 ? 140 B 1 .
ATOM 3723 C CD2  . LEU Bxp B 101 ? 29.138  19.724  4.34    1 26.044 ? 140 B 1 .
ATOM 3724 H H    . LEU Bxp B 101 ? 30.246  16.226  2.271   1 33.673 ? 140 B 1 c
ATOM 3725 H HA   . LEU Bxp B 101 ? 28.152  17.262  3.829   1 31.129 ? 140 B 1 c
ATOM 3726 H HB3  . LEU Bxp B 101 ? 27.806  18.832  2.042   1 28.368 ? 140 B 1 c
ATOM 3727 H HB2  . LEU Bxp B 101 ? 29.097  18.266  1.325   1 28.344 ? 140 B 1 c
ATOM 3728 H HG   . LEU Bxp B 101 ? 30.498  19.207  2.896   1 26.254 ? 140 B 1 c
ATOM 3729 H HD11 . LEU Bxp B 101 ? 29.361  20.63   1.213   1 25.513 ? 140 B 1 c
ATOM 3730 H HD12 . LEU Bxp B 101 ? 30.232  21.345  2.33    1 25.539 ? 140 B 1 c
ATOM 3731 H HD13 . LEU Bxp B 101 ? 28.652  21.289  2.469   1 25.516 ? 140 B 1 c
ATOM 3732 H HD21 . LEU Bxp B 101 ? 29.424  18.969  4.881   1 26.078 ? 140 B 1 c
ATOM 3733 H HD22 . LEU Bxp B 101 ? 28.171  19.808  4.389   1 26.007 ? 140 B 1 c
ATOM 3734 H HD23 . LEU Bxp B 101 ? 29.551  20.537  4.677   1 26.004 ? 140 B 1 c
ATOM 3735 N N    . PRO Bxp B 102 ? 26.22   16.338  2.348   1 30.18  ? 141 B 1 .
ATOM 3736 C CA   . PRO Bxp B 102 ? 25.661  17.218  3.367   1 30.177 ? 141 B 1 .
ATOM 3737 C C    . PRO Bxp B 102 ? 25.803  16.7    4.797   1 29.908 ? 141 B 1 .
ATOM 3738 O O    . PRO Bxp B 102 ? 26.195  15.561  5.015   1 33.525 ? 141 B 1 .
ATOM 3739 C CB   . PRO Bxp B 102 ? 24.204  17.29   2.961   1 31.503 ? 141 B 1 .
ATOM 3740 C CG   . PRO Bxp B 102 ? 23.984  15.888  2.438   1 32.878 ? 141 B 1 .
ATOM 3741 C CD   . PRO Bxp B 102 ? 25.182  15.628  1.596   1 30.508 ? 141 B 1 .
ATOM 3742 H HA   . PRO Bxp B 102 ? 26.066  18.105  3.295   1 30.123 ? 141 B 1 c
ATOM 3743 H HB3  . PRO Bxp B 102 ? 24.062  17.958  2.262   1 31.5   ? 141 B 1 c
ATOM 3744 H HB2  . PRO Bxp B 102 ? 23.629  17.48   3.727   1 31.492 ? 141 B 1 c
ATOM 3745 H HG3  . PRO Bxp B 102 ? 23.166  15.836  1.904   1 32.005 ? 141 B 1 c
ATOM 3746 H HG2  . PRO Bxp B 102 ? 23.927  15.243  3.171   1 31.997 ? 141 B 1 c
ATOM 3747 H HD3  . PRO Bxp B 102 ? 25.381  14.673  1.536   1 30.936 ? 141 B 1 c
ATOM 3748 H HD2  . PRO Bxp B 102 ? 25.081  16      0.699   1 30.87  ? 141 B 1 c
ATOM 3749 N N    . THR Bxp B 103 ? 25.521  17.583  5.764   1 27.836 ? 142 B 1 .
ATOM 3750 C CA   . THR Bxp B 103 ? 25.282  17.219  7.156   1 24.518 ? 142 B 1 .
ATOM 3751 C C    . THR Bxp B 103 ? 24.14   18.084  7.683   1 22.355 ? 142 B 1 .
ATOM 3752 O O    . THR Bxp B 103 ? 24.122  19.296  7.468   1 22.734 ? 142 B 1 .
ATOM 3753 C CB   . THR Bxp B 103 ? 26.503  17.453  8.038   1 23.368 ? 142 B 1 .
ATOM 3754 O OG1  . THR Bxp B 103 ? 27.61   16.881  7.357   1 23.888 ? 142 B 1 .
ATOM 3755 C CG2  . THR Bxp B 103 ? 26.3    16.876  9.429   1 23.243 ? 142 B 1 .
ATOM 3756 H H    . THR Bxp B 103 ? 25.48   18.468  5.54    1 27.513 ? 142 B 1 c
ATOM 3757 H HA   . THR Bxp B 103 ? 25.025  16.273  7.201   1 24.438 ? 142 B 1 c
ATOM 3758 H HB   . THR Bxp B 103 ? 26.653  18.425  8.126   1 23.644 ? 142 B 1 c
ATOM 3759 H HG1  . THR Bxp B 103 ? 27.42   15.995  7.452   0 15.29  ? 142 B 1 c
ATOM 3760 H HG21 . THR Bxp B 103 ? 27.15   16.865  9.901   1 23.27  ? 142 B 1 c
ATOM 3761 H HG22 . THR Bxp B 103 ? 25.959  15.97   9.358   1 23.241 ? 142 B 1 c
ATOM 3762 H HG23 . THR Bxp B 103 ? 25.666  17.424  9.92    1 23.266 ? 142 B 1 c
ATOM 3763 N N    . THR Bxp B 104 ? 23.215  17.47   8.414   1 19.46  ? 143 B 1 .
ATOM 3764 C CA   . THR Bxp B 104 ? 22.147  18.238  9.008   1 17.035 ? 143 B 1 .
ATOM 3765 C C    . THR Bxp B 104 ? 22.339  18.23   10.517  1 15.705 ? 143 B 1 .
ATOM 3766 O O    . THR Bxp B 104 ? 22.764  17.24   11.087  1 14.661 ? 143 B 1 .
ATOM 3767 C CB   . THR Bxp B 104 ? 20.802  17.677  8.572   1 17.19  ? 143 B 1 .
ATOM 3768 O OG1  . THR Bxp B 104 ? 20.894  17.479  7.165   1 17.392 ? 143 B 1 .
ATOM 3769 C CG2  . THR Bxp B 104 ? 19.686  18.658  8.854   1 17.633 ? 143 B 1 .
ATOM 3770 H H    . THR Bxp B 104 ? 23.248  16.566  8.545   1 19.586 ? 143 B 1 c
ATOM 3771 H HA   . THR Bxp B 104 ? 22.213  19.161  8.688   1 17.236 ? 143 B 1 c
ATOM 3772 H HB   . THR Bxp B 104 ? 20.623  16.817  9.022   1 17.267 ? 143 B 1 c
ATOM 3773 H HG1  . THR Bxp B 104 ? 21.03   18.198  6.749   0 9.56   ? 143 B 1 c
ATOM 3774 H HG21 . THR Bxp B 104 ? 18.854  18.173  8.979   1 17.398 ? 143 B 1 c
ATOM 3775 H HG22 . THR Bxp B 104 ? 19.594  19.269  8.104   1 17.433 ? 143 B 1 c
ATOM 3776 H HG23 . THR Bxp B 104 ? 19.889  19.163  9.658   1 17.447 ? 143 B 1 c
ATOM 3777 N N    . PHE Bxp B 105 ? 22.092  19.385  11.134  1 15.437 ? 144 B 1 .
ATOM 3778 C CA   . PHE Bxp B 105 ? 21.949  19.497  12.57   1 14.821 ? 144 B 1 .
ATOM 3779 C C    . PHE Bxp B 105 ? 20.496  19.816  12.891  1 14.052 ? 144 B 1 .
ATOM 3780 O O    . PHE Bxp B 105 ? 19.888  20.67   12.269  1 13.898 ? 144 B 1 .
ATOM 3781 C CB   . PHE Bxp B 105 ? 22.845  20.608  13.103  1 15.142 ? 144 B 1 .
ATOM 3782 C CG   . PHE Bxp B 105 ? 24.316  20.303  12.91   1 15.525 ? 144 B 1 .
ATOM 3783 C CD1  . PHE Bxp B 105 ? 24.918  20.512  11.683  1 16.177 ? 144 B 1 .
ATOM 3784 C CD2  . PHE Bxp B 105 ? 25.083  19.802  13.952  1 15.688 ? 144 B 1 .
ATOM 3785 C CE1  . PHE Bxp B 105 ? 26.267  20.232  11.509  1 16.883 ? 144 B 1 .
ATOM 3786 C CE2  . PHE Bxp B 105 ? 26.429  19.53   13.78   1 15.925 ? 144 B 1 .
ATOM 3787 C CZ   . PHE Bxp B 105 ? 27.02   19.738  12.559  1 16.755 ? 144 B 1 .
ATOM 3788 H H    . PHE Bxp B 105 ? 22.01   20.144  10.631  1 15.357 ? 144 B 1 c
ATOM 3789 H HA   . PHE Bxp B 105 ? 22.203  18.637  12.998  1 14.841 ? 144 B 1 c
ATOM 3790 H HB3  . PHE Bxp B 105 ? 22.663  20.73   14.062  1 15.146 ? 144 B 1 c
ATOM 3791 H HB2  . PHE Bxp B 105 ? 22.625  21.444  12.636  1 15.126 ? 144 B 1 c
ATOM 3792 H HD1  . PHE Bxp B 105 ? 24.41   20.848  10.962  1 16.176 ? 144 B 1 c
ATOM 3793 H HD2  . PHE Bxp B 105 ? 24.683  19.66   14.795  1 15.69  ? 144 B 1 c
ATOM 3794 H HE1  . PHE Bxp B 105 ? 26.667  20.377  10.67   1 16.875 ? 144 B 1 c
ATOM 3795 H HE2  . PHE Bxp B 105 ? 26.936  19.191  14.5    1 16.063 ? 144 B 1 c
ATOM 3796 H HZ   . PHE Bxp B 105 ? 27.937  19.548  12.438  1 16.666 ? 144 B 1 c
ATOM 3797 N N    . LEU Bxp B 106 ? 19.939  19.107  13.866  1 13.847 ? 145 B 1 .
ATOM 3798 C CA   . LEU Bxp B 106 ? 18.566  19.323  14.266  1 13.002 ? 145 B 1 .
ATOM 3799 C C    . LEU Bxp B 106 ? 18.603  20.121  15.559  1 12.532 ? 145 B 1 .
ATOM 3800 O O    . LEU Bxp B 106 ? 19.083  19.645  16.582  1 12.03  ? 145 B 1 .
ATOM 3801 C CB   . LEU Bxp B 106 ? 17.894  17.965  14.415  1 12.711 ? 145 B 1 .
ATOM 3802 C CG   . LEU Bxp B 106 ? 17.932  17.074  13.172  1 12.9   ? 145 B 1 .
ATOM 3803 C CD1  . LEU Bxp B 106 ? 17.376  15.732  13.53   1 13.193 ? 145 B 1 .
ATOM 3804 C CD2  . LEU Bxp B 106 ? 17.153  17.654  12.012  1 13.116 ? 145 B 1 .
ATOM 3805 H H    . LEU Bxp B 106 ? 20.429  18.467  14.298  1 13.709 ? 145 B 1 c
ATOM 3806 H HA   . LEU Bxp B 106 ? 18.102  19.847  13.567  1 13.024 ? 145 B 1 c
ATOM 3807 H HB3  . LEU Bxp B 106 ? 16.952  18.113  14.663  1 12.822 ? 145 B 1 c
ATOM 3808 H HB2  . LEU Bxp B 106 ? 18.331  17.487  15.156  1 12.829 ? 145 B 1 c
ATOM 3809 H HG   . LEU Bxp B 106 ? 18.877  16.959  12.894  1 12.964 ? 145 B 1 c
ATOM 3810 H HD11 . LEU Bxp B 106 ? 17.106  15.726  14.463  1 13.103 ? 145 B 1 c
ATOM 3811 H HD12 . LEU Bxp B 106 ? 18.055  15.052  13.385  1 13.122 ? 145 B 1 c
ATOM 3812 H HD13 . LEU Bxp B 106 ? 16.604  15.539  12.972  1 13.107 ? 145 B 1 c
ATOM 3813 H HD21 . LEU Bxp B 106 ? 17.569  18.484  11.723  1 13.051 ? 145 B 1 c
ATOM 3814 H HD22 . LEU Bxp B 106 ? 16.239  17.83   12.29   1 13.051 ? 145 B 1 c
ATOM 3815 H HD23 . LEU Bxp B 106 ? 17.15   17.022  11.273  1 13.052 ? 145 B 1 c
ATOM 3816 N N    . ILE Bxp B 107 ? 18.129  21.359  15.487  1 12.314 ? 146 B 1 .
ATOM 3817 C CA   . ILE Bxp B 107 ? 18.19   22.222  16.645  1 12.749 ? 146 B 1 .
ATOM 3818 C C    . ILE Bxp B 107 ? 16.785  22.427  17.217  1 13.857 ? 146 B 1 .
ATOM 3819 O O    . ILE Bxp B 107 ? 15.869  22.823  16.509  1 14.475 ? 146 B 1 .
ATOM 3820 C CB   . ILE Bxp B 107 ? 18.881  23.533  16.253  1 12.283 ? 146 B 1 .
ATOM 3821 C CG1  . ILE Bxp B 107 ? 20.32   23.285  15.841  1 12.193 ? 146 B 1 .
ATOM 3822 C CG2  . ILE Bxp B 107 ? 18.792  24.532  17.397  1 12.605 ? 146 B 1 .
ATOM 3823 C CD1  . ILE Bxp B 107 ? 20.878  24.277  14.832  1 12.095 ? 146 B 1 .
ATOM 3824 H H    . ILE Bxp B 107 ? 17.762  21.673  14.711  1 12.471 ? 146 B 1 c
ATOM 3825 H HA   . ILE Bxp B 107 ? 18.737  21.787  17.325  1 12.814 ? 146 B 1 c
ATOM 3826 H HB   . ILE Bxp B 107 ? 18.407  23.906  15.484  1 12.387 ? 146 B 1 c
ATOM 3827 H HG12 . ILE Bxp B 107 ? 20.389  22.386  15.461  1 12.197 ? 146 B 1 c
ATOM 3828 H HG13 . ILE Bxp B 107 ? 20.881  23.309  16.643  1 12.195 ? 146 B 1 c
ATOM 3829 H HG21 . ILE Bxp B 107 ? 19.51   25.182  17.318  1 12.516 ? 146 B 1 c
ATOM 3830 H HG22 . ILE Bxp B 107 ? 18.874  24.065  18.246  1 12.523 ? 146 B 1 c
ATOM 3831 H HG23 . ILE Bxp B 107 ? 17.937  24.992  17.363  1 12.539 ? 146 B 1 c
ATOM 3832 H HD11 . ILE Bxp B 107 ? 20.351  24.24   14.011  1 12.121 ? 146 B 1 c
ATOM 3833 H HD12 . ILE Bxp B 107 ? 21.806  24.052  14.631  1 12.123 ? 146 B 1 c
ATOM 3834 H HD13 . ILE Bxp B 107 ? 20.836  25.179  15.203  1 12.123 ? 146 B 1 c
ATOM 3835 N N    . ASN Bxp B 108 ? 16.614  22.195  18.52   1 14.925 ? 147 B 1 .
ATOM 3836 C CA   . ASN Bxp B 108 ? 15.316  22.381  19.15   1 16.143 ? 147 B 1 .
ATOM 3837 C C    . ASN Bxp B 108 ? 15.047  23.869  19.379  1 17.519 ? 147 B 1 .
ATOM 3838 O O    . ASN Bxp B 108 ? 15.902  24.724  19.116  1 17.273 ? 147 B 1 .
ATOM 3839 C CB   . ASN Bxp B 108 ? 15.185  21.575  20.438  1 16.354 ? 147 B 1 .
ATOM 3840 C CG   . ASN Bxp B 108 ? 16.084  22.054  21.549  1 16.26  ? 147 B 1 .
ATOM 3841 O OD1  . ASN Bxp B 108 ? 16.557  23.193  21.558  1 16.176 ? 147 B 1 .
ATOM 3842 N ND2  . ASN Bxp B 108 ? 16.301  21.192  22.523  1 17.089 ? 147 B 1 .
ATOM 3843 H H    . ASN Bxp B 108 ? 17.319  21.914  19.029  1 14.904 ? 147 B 1 c
ATOM 3844 H HA   . ASN Bxp B 108 ? 14.632  22.042  18.53   1 16.194 ? 147 B 1 c
ATOM 3845 H HB3  . ASN Bxp B 108 ? 15.399  20.642  20.244  1 16.27  ? 147 B 1 c
ATOM 3846 H HB2  . ASN Bxp B 108 ? 14.26   21.606  20.746  1 16.35  ? 147 B 1 c
ATOM 3847 H HD21 . ASN Bxp B 108 ? 16.955  21.337  23.105  1 16.822 ? 147 B 1 c
ATOM 3848 H HD22 . ASN Bxp B 108 ? 15.794  20.467  22.597  1 16.818 ? 147 B 1 c
ATOM 3849 N N    . PRO Bxp B 109 ? 13.827  24.234  19.84   1 19.259 ? 148 B 1 .
ATOM 3850 C CA   . PRO Bxp B 109 ? 13.471  25.631  20.034  1 19.852 ? 148 B 1 .
ATOM 3851 C C    . PRO Bxp B 109 ? 14.22   26.322  21.16   1 20.216 ? 148 B 1 .
ATOM 3852 O O    . PRO Bxp B 109 ? 14.236  27.538  21.169  1 21.161 ? 148 B 1 .
ATOM 3853 C CB   . PRO Bxp B 109 ? 11.97   25.585  20.299  1 19.968 ? 148 B 1 .
ATOM 3854 C CG   . PRO Bxp B 109 ? 11.515  24.239  19.787  1 19.972 ? 148 B 1 .
ATOM 3855 C CD   . PRO Bxp B 109 ? 12.681  23.34   20.087  1 20.173 ? 148 B 1 .
ATOM 3856 H HA   . PRO Bxp B 109 ? 13.63   26.118  19.201  1 19.781 ? 148 B 1 c
ATOM 3857 H HB3  . PRO Bxp B 109 ? 11.514  26.305  19.826  1 19.925 ? 148 B 1 c
ATOM 3858 H HB2  . PRO Bxp B 109 ? 11.783  25.673  21.254  1 19.941 ? 148 B 1 c
ATOM 3859 H HG3  . PRO Bxp B 109 ? 11.335  24.268  18.826  1 20.017 ? 148 B 1 c
ATOM 3860 H HG2  . PRO Bxp B 109 ? 10.711  23.936  20.255  1 20.017 ? 148 B 1 c
ATOM 3861 H HD3  . PRO Bxp B 109 ? 12.667  23.034  21.014  1 19.965 ? 148 B 1 c
ATOM 3862 H HD2  . PRO Bxp B 109 ? 12.697  22.57   19.487  1 19.828 ? 148 B 1 c
ATOM 3863 N N    . GLU Bxp B 110 ? 14.829  25.558  22.076  1 21.286 ? 149 B 1 .
ATOM 3864 C CA   . GLU Bxp B 110 ? 15.716  26.116  23.087  1 23.946 ? 149 B 1 .
ATOM 3865 C C    . GLU Bxp B 110 ? 17.047  26.551  22.465  1 23.4   ? 149 B 1 .
ATOM 3866 O O    . GLU Bxp B 110 ? 17.706  27.467  22.959  1 24.354 ? 149 B 1 .
ATOM 3867 C CB   . GLU Bxp B 110 ? 15.996  25.137  24.227  1 28.642 ? 149 B 1 .
ATOM 3868 C CG   . GLU Bxp B 110 ? 14.791  24.841  25.117  1 34.088 ? 149 B 1 .
ATOM 3869 C CD   . GLU Bxp B 110 ? 13.696  23.979  24.494  1 41.3   ? 149 B 1 .
ATOM 3870 O OE1  . GLU Bxp B 110 ? 13.824  23.505  23.331  1 47.162 ? 149 B 1 .
ATOM 3871 O OE2  . GLU Bxp B 110 ? 12.676  23.786  25.195  1 44.873 ? 149 B 1 .
ATOM 3872 H H    . GLU Bxp B 110 ? 14.686  24.656  22.071  1 21.666 ? 149 B 1 c
ATOM 3873 H HA   . GLU Bxp B 110 ? 15.277  26.917  23.472  1 24.047 ? 149 B 1 c
ATOM 3874 H HB3  . GLU Bxp B 110 ? 16.711  25.506  24.788  1 28.578 ? 149 B 1 c
ATOM 3875 H HB2  . GLU Bxp B 110 ? 16.322  24.296  23.847  1 28.586 ? 149 B 1 c
ATOM 3876 H HG3  . GLU Bxp B 110 ? 14.389  25.692  25.393  1 34.239 ? 149 B 1 c
ATOM 3877 H HG2  . GLU Bxp B 110 ? 15.105  24.394  25.931  1 34.239 ? 149 B 1 c
ATOM 3878 N N    . GLY Bxp B 111 ? 17.46   25.89   21.378  1 22.32  ? 150 B 1 .
ATOM 3879 C CA   . GLY Bxp B 111 ? 18.663  26.283  20.653  1 21.012 ? 150 B 1 .
ATOM 3880 C C    . GLY Bxp B 111 ? 19.82   25.307  20.859  1 19.934 ? 150 B 1 .
ATOM 3881 O O    . GLY Bxp B 111 ? 20.979  25.671  20.7    1 18.811 ? 150 B 1 .
ATOM 3882 H H    . GLY Bxp B 111 ? 16.977  25.177  21.074  1 22.216 ? 150 B 1 c
ATOM 3883 H HA3  . GLY Bxp B 111 ? 18.94   27.182  20.946  1 21.099 ? 150 B 1 c
ATOM 3884 H HA2  . GLY Bxp B 111 ? 18.451  26.334  19.691  1 21.074 ? 150 B 1 c
ATOM 3885 N N    . LYS Bxp B 112 ? 19.495  24.061  21.2    1 19.266 ? 151 B 1 .
ATOM 3886 C CA   . LYS Bxp B 112 ? 20.497  23.048  21.449  1 19.483 ? 151 B 1 .
ATOM 3887 C C    . LYS Bxp B 112 ? 20.391  22.019  20.345  1 17.336 ? 151 B 1 .
ATOM 3888 O O    . LYS Bxp B 112 ? 19.299  21.757  19.869  1 18.403 ? 151 B 1 .
ATOM 3889 C CB   . LYS Bxp B 112 ? 20.19   22.276  22.735  1 22.698 ? 151 B 1 .
ATOM 3890 C CG   . LYS Bxp B 112 ? 19.705  23.083  23.933  1 24.573 ? 151 B 1 .
ATOM 3891 C CD   . LYS Bxp B 112 ? 20.831  23.478  24.872  1 25.827 ? 151 B 1 .
ATOM 3892 C CE   . LYS Bxp B 112 ? 20.389  24.531  25.808  1 28.045 ? 151 B 1 .
ATOM 3893 N NZ   . LYS Bxp B 112 ? 21.602  25.054  26.442  1 31.26  ? 151 B 1 .
ATOM 3894 H H    . LYS Bxp B 112 ? 18.614  23.828  21.272  1 19.526 ? 151 B 1 c
ATOM 3895 H HA   . LYS Bxp B 112 ? 21.4    23.454  21.464  1 19.52  ? 151 B 1 c
ATOM 3896 H HB3  . LYS Bxp B 112 ? 21.002  21.795  23.002  1 22.395 ? 151 B 1 c
ATOM 3897 H HB2  . LYS Bxp B 112 ? 19.507  21.6    22.532  1 22.283 ? 151 B 1 c
ATOM 3898 H HG3  . LYS Bxp B 112 ? 19.047  22.548  24.428  1 24.409 ? 151 B 1 c
ATOM 3899 H HG2  . LYS Bxp B 112 ? 19.254  23.893  23.61   1 24.416 ? 151 B 1 c
ATOM 3900 H HD3  . LYS Bxp B 112 ? 21.591  23.807  24.345  1 26.119 ? 151 B 1 c
ATOM 3901 H HD2  . LYS Bxp B 112 ? 21.121  22.69   25.382  1 26.077 ? 151 B 1 c
ATOM 3902 H HE3  . LYS Bxp B 112 ? 19.795  24.162  26.486  1 28.22  ? 151 B 1 c
ATOM 3903 H HE2  . LYS Bxp B 112 ? 19.93   25.248  25.334  1 28.182 ? 151 B 1 c
ATOM 3904 H HZ1  . LYS Bxp B 112 ? 21.865  25.807  26.015  1 30.197 ? 151 B 1 c
ATOM 3905 H HZ2  . LYS Bxp B 112 ? 22.273  24.445  26.417  1 30.134 ? 151 B 1 c
ATOM 3906 H HZ3  . LYS Bxp B 112 ? 21.425  25.257  27.308  1 30.208 ? 151 B 1 c
ATOM 3907 N N    . VAL Bxp B 113 ? 21.511  21.397  19.999  1 15.212 ? 152 B 1 .
ATOM 3908 C CA   . VAL Bxp B 113 ? 21.517  20.367  18.985  1 14.22  ? 152 B 1 .
ATOM 3909 C C    . VAL Bxp B 113 ? 20.952  19.1    19.607  1 13.672 ? 152 B 1 .
ATOM 3910 O O    . VAL Bxp B 113 ? 21.494  18.644  20.597  1 13.061 ? 152 B 1 .
ATOM 3911 C CB   . VAL Bxp B 113 ? 22.948  20.156  18.466  1 14.252 ? 152 B 1 .
ATOM 3912 C CG1  . VAL Bxp B 113 ? 23.026  19.006  17.476  1 14.579 ? 152 B 1 .
ATOM 3913 C CG2  . VAL Bxp B 113 ? 23.507  21.428  17.842  1 14.29  ? 152 B 1 .
ATOM 3914 H H    . VAL Bxp B 113 ? 22.296  21.616  20.413  1 15.476 ? 152 B 1 c
ATOM 3915 H HA   . VAL Bxp B 113 ? 20.946  20.647  18.243  1 14.328 ? 152 B 1 c
ATOM 3916 H HB   . VAL Bxp B 113 ? 23.509  19.927  19.244  1 14.321 ? 152 B 1 c
ATOM 3917 H HG11 . VAL Bxp B 113 ? 22.24   19.015  16.905  1 14.48  ? 152 B 1 c
ATOM 3918 H HG12 . VAL Bxp B 113 ? 23.065  18.163  17.959  1 14.479 ? 152 B 1 c
ATOM 3919 H HG13 . VAL Bxp B 113 ? 23.824  19.1    16.929  1 14.486 ? 152 B 1 c
ATOM 3920 H HG21 . VAL Bxp B 113 ? 24.371  21.24   17.439  1 14.283 ? 152 B 1 c
ATOM 3921 H HG22 . VAL Bxp B 113 ? 23.614  22.108  18.528  1 14.292 ? 152 B 1 c
ATOM 3922 H HG23 . VAL Bxp B 113 ? 22.896  21.751  17.159  1 14.282 ? 152 B 1 c
ATOM 3923 N N    . VAL Bxp B 114 ? 19.872  18.554  19.022  1 13.942 ? 153 B 1 .
ATOM 3924 C CA   . VAL Bxp B 114 ? 19.251  17.333  19.521  1 13.876 ? 153 B 1 .
ATOM 3925 C C    . VAL Bxp B 114 ? 19.71   16.1    18.733  1 14.113 ? 153 B 1 .
ATOM 3926 O O    . VAL Bxp B 114 ? 19.505  14.99   19.228  1 14.497 ? 153 B 1 .
ATOM 3927 C CB   . VAL Bxp B 114 ? 17.706  17.37   19.601  1 13.39  ? 153 B 1 .
ATOM 3928 C CG1  . VAL Bxp B 114 ? 17.204  18.478  20.515  1 13.749 ? 153 B 1 .
ATOM 3929 C CG2  . VAL Bxp B 114 ? 17.028  17.507  18.258  1 13.023 ? 153 B 1 .
ATOM 3930 H H    . VAL Bxp B 114 ? 19.51   18.96   18.288  1 13.861 ? 153 B 1 c
ATOM 3931 H HA   . VAL Bxp B 114 ? 19.569  17.212  20.436  1 13.836 ? 153 B 1 c
ATOM 3932 H HB   . VAL Bxp B 114 ? 17.418  16.512  19.991  1 13.482 ? 153 B 1 c
ATOM 3933 H HG11 . VAL Bxp B 114 ? 17.506  19.339  20.178  1 13.65  ? 153 B 1 c
ATOM 3934 H HG12 . VAL Bxp B 114 ? 17.552  18.342  21.412  1 13.649 ? 153 B 1 c
ATOM 3935 H HG13 . VAL Bxp B 114 ? 16.233  18.463  20.539  1 13.672 ? 153 B 1 c
ATOM 3936 H HG21 . VAL Bxp B 114 ? 16.065  17.432  18.372  1 13.132 ? 153 B 1 c
ATOM 3937 H HG22 . VAL Bxp B 114 ? 17.337  16.806  17.661  1 13.135 ? 153 B 1 c
ATOM 3938 H HG23 . VAL Bxp B 114 ? 17.239  18.374  17.874  1 13.13  ? 153 B 1 c
ATOM 3939 N N    . LYS Bxp B 115 ? 20.287  16.274  17.525  1 14.087 ? 154 B 1 .
ATOM 3940 C CA   . LYS Bxp B 115 ? 20.622  15.156  16.645  1 14.201 ? 154 B 1 .
ATOM 3941 C C    . LYS Bxp B 115 ? 21.509  15.641  15.505  1 14.343 ? 154 B 1 .
ATOM 3942 O O    . LYS Bxp B 115 ? 21.213  16.68   14.93   1 14.828 ? 154 B 1 .
ATOM 3943 C CB   . LYS Bxp B 115 ? 19.365  14.542  16.015  1 14.175 ? 154 B 1 .
ATOM 3944 C CG   . LYS Bxp B 115 ? 19.521  13.265  15.193  1 14.558 ? 154 B 1 .
ATOM 3945 C CD   . LYS Bxp B 115 ? 19.49   11.986  16.022  1 15.535 ? 154 B 1 .
ATOM 3946 C CE   . LYS Bxp B 115 ? 19.862  10.753  15.264  1 15.984 ? 154 B 1 .
ATOM 3947 N NZ   . LYS Bxp B 115 ? 18.964  10.591  14.12   1 16.386 ? 154 B 1 .
ATOM 3948 H H    . LYS Bxp B 115 ? 20.477  17.122  17.242  1 14.115 ? 154 B 1 c
ATOM 3949 H HA   . LYS Bxp B 115 ? 21.107  14.47   17.171  1 14.201 ? 154 B 1 c
ATOM 3950 H HB3  . LYS Bxp B 115 ? 18.962  15.222  15.44   1 14.236 ? 154 B 1 c
ATOM 3951 H HB2  . LYS Bxp B 115 ? 18.725  14.357  16.735  1 14.269 ? 154 B 1 c
ATOM 3952 H HG3  . LYS Bxp B 115 ? 20.371  13.307  14.705  1 14.68  ? 154 B 1 c
ATOM 3953 H HG2  . LYS Bxp B 115 ? 18.798  13.231  14.531  1 14.681 ? 154 B 1 c
ATOM 3954 H HD3  . LYS Bxp B 115 ? 18.586  11.872  16.388  1 15.48  ? 154 B 1 c
ATOM 3955 H HD2  . LYS Bxp B 115 ? 20.104  12.09   16.779  1 15.462 ? 154 B 1 c
ATOM 3956 H HE3  . LYS Bxp B 115 ? 19.795  9.97    15.838  1 16.006 ? 154 B 1 c
ATOM 3957 H HE2  . LYS Bxp B 115 ? 20.78   10.825  14.945  1 15.98  ? 154 B 1 c
ATOM 3958 H HZ1  . LYS Bxp B 115 ? 19.242  11.111  13.432  1 16.244 ? 154 B 1 c
ATOM 3959 H HZ2  . LYS Bxp B 115 ? 18.119  10.825  14.349  1 16.226 ? 154 B 1 c
ATOM 3960 H HZ3  . LYS Bxp B 115 ? 18.967  9.725   13.853  1 16.251 ? 154 B 1 c
ATOM 3961 N N    . VAL Bxp B 116 ? 22.569  14.886  15.164  1 14.078 ? 155 B 1 .
ATOM 3962 C CA   . VAL Bxp B 116 ? 23.393  15.224  14.008  1 13.809 ? 155 B 1 .
ATOM 3963 C C    . VAL Bxp B 116 ? 23.235  14.165  12.922  1 13.995 ? 155 B 1 .
ATOM 3964 O O    . VAL Bxp B 116 ? 23.575  13.008  13.103  1 14.082 ? 155 B 1 .
ATOM 3965 C CB   . VAL Bxp B 116 ? 24.883  15.422  14.328  1 13.314 ? 155 B 1 .
ATOM 3966 C CG1  . VAL Bxp B 116 ? 25.668  15.731  13.06   1 13.407 ? 155 B 1 .
ATOM 3967 C CG2  . VAL Bxp B 116 ? 25.091  16.509  15.368  1 13.059 ? 155 B 1 .
ATOM 3968 H H    . VAL Bxp B 116 ? 22.781  14.148  15.66   1 14.082 ? 155 B 1 c
ATOM 3969 H HA   . VAL Bxp B 116 ? 23.061  16.068  13.648  1 13.822 ? 155 B 1 c
ATOM 3970 H HB   . VAL Bxp B 116 ? 25.219  14.573  14.699  1 13.374 ? 155 B 1 c
ATOM 3971 H HG11 . VAL Bxp B 116 ? 25.13   16.285  12.47   1 13.388 ? 155 B 1 c
ATOM 3972 H HG12 . VAL Bxp B 116 ? 25.894  14.901  12.606  1 13.384 ? 155 B 1 c
ATOM 3973 H HG13 . VAL Bxp B 116 ? 26.486  16.204  13.288  1 13.379 ? 155 B 1 c
ATOM 3974 H HG21 . VAL Bxp B 116 ? 26.037  16.727  15.428  1 13.144 ? 155 B 1 c
ATOM 3975 H HG22 . VAL Bxp B 116 ? 24.777  16.195  16.232  1 13.142 ? 155 B 1 c
ATOM 3976 H HG23 . VAL Bxp B 116 ? 24.593  17.302  15.112  1 13.162 ? 155 B 1 c
ATOM 3977 N N    . VAL Bxp B 117 ? 22.8    14.588  11.74   1 14.958 ? 156 B 1 .
ATOM 3978 C CA   . VAL Bxp B 117 ? 22.41   13.643  10.709  1 15.528 ? 156 B 1 .
ATOM 3979 C C    . VAL Bxp B 117 ? 23.39   13.745  9.542   1 16.536 ? 156 B 1 .
ATOM 3980 O O    . VAL Bxp B 117 ? 23.659  14.8    8.971   1 16.551 ? 156 B 1 .
ATOM 3981 C CB   . VAL Bxp B 117 ? 20.934  13.804  10.285  1 15.21  ? 156 B 1 .
ATOM 3982 C CG1  . VAL Bxp B 117 ? 20.473  12.716  9.339   1 15.545 ? 156 B 1 .
ATOM 3983 C CG2  . VAL Bxp B 117 ? 20.016  13.797  11.485  1 15.086 ? 156 B 1 .
ATOM 3984 H H    . VAL Bxp B 117 ? 22.746  15.483  11.566  1 14.831 ? 156 B 1 c
ATOM 3985 H HA   . VAL Bxp B 117 ? 22.5    12.748  11.087  1 15.565 ? 156 B 1 c
ATOM 3986 H HB   . VAL Bxp B 117 ? 20.849  14.674  9.829   1 15.319 ? 156 B 1 c
ATOM 3987 H HG11 . VAL Bxp B 117 ? 20.349  11.887  9.832   1 15.448 ? 156 B 1 c
ATOM 3988 H HG12 . VAL Bxp B 117 ? 21.139  12.581  8.645   1 15.454 ? 156 B 1 c
ATOM 3989 H HG13 . VAL Bxp B 117 ? 19.632  12.978  8.931   1 15.463 ? 156 B 1 c
ATOM 3990 H HG21 . VAL Bxp B 117 ? 19.092  13.75   11.187  1 15.104 ? 156 B 1 c
ATOM 3991 H HG22 . VAL Bxp B 117 ? 20.147  14.611  12      1 15.117 ? 156 B 1 c
ATOM 3992 H HG23 . VAL Bxp B 117 ? 20.216  13.027  12.042  1 15.118 ? 156 B 1 c
ATOM 3993 N N    . THR Bxp B 118 ? 23.902  12.58   9.194   1 19.243 ? 157 B 1 .
ATOM 3994 C CA   . THR Bxp B 118 ? 25.029  12.467  8.303   1 21.828 ? 157 B 1 .
ATOM 3995 C C    . THR Bxp B 118 ? 24.715  11.346  7.319   1 23.372 ? 157 B 1 .
ATOM 3996 O O    . THR Bxp B 118 ? 24.062  10.37   7.659   1 24.569 ? 157 B 1 .
ATOM 3997 C CB   . THR Bxp B 118 ? 26.263  12.245  9.178   1 23.124 ? 157 B 1 .
ATOM 3998 O OG1  . THR Bxp B 118 ? 27.251  12.058  8.181   1 24.84  ? 157 B 1 .
ATOM 3999 C CG2  . THR Bxp B 118 ? 26.153  11.081  10.154  1 23.754 ? 157 B 1 .
ATOM 4000 H H    . THR Bxp B 118 ? 23.525  11.814  9.52    1 19.086 ? 157 B 1 c
ATOM 4001 H HA   . THR Bxp B 118 ? 25.135  13.309  7.81    1 21.774 ? 157 B 1 c
ATOM 4002 H HB   . THR Bxp B 118 ? 26.462  13.07   9.682   1 23.321 ? 157 B 1 c
ATOM 4003 H HG1  . THR Bxp B 118 ? 27.185  11.337  7.886   0 19.64  ? 157 B 1 c
ATOM 4004 H HG21 . THR Bxp B 118 ? 27.038  10.847  10.48   1 23.562 ? 157 B 1 c
ATOM 4005 H HG22 . THR Bxp B 118 ? 25.762  10.314  9.705   1 23.565 ? 157 B 1 c
ATOM 4006 H HG23 . THR Bxp B 118 ? 25.59   11.338  10.904  1 23.542 ? 157 B 1 c
ATOM 4007 N N    . GLY Bxp B 119 ? 25.084  11.543  6.06    1 26.571 ? 158 B 1 .
ATOM 4008 C CA   . GLY Bxp B 119 ? 24.635  10.661  5.002   1 29.06  ? 158 B 1 .
ATOM 4009 C C    . GLY Bxp B 119 ? 23.216  10.997  4.54    1 31.706 ? 158 B 1 .
ATOM 4010 O O    . GLY Bxp B 119 ? 22.804  12.166  4.453   1 37.09  ? 158 B 1 .
ATOM 4011 H H    . GLY Bxp B 119 ? 25.633  12.243  5.851   1 26.223 ? 158 B 1 c
ATOM 4012 H HA3  . GLY Bxp B 119 ? 24.668  9.729   5.322   1 28.975 ? 158 B 1 c
ATOM 4013 H HA2  . GLY Bxp B 119 ? 25.253  10.739  4.238   1 28.995 ? 158 B 1 c
ATOM 4014 N N    . THR Bxp B 120 ? 22.466  9.93    4.259   1 32.161 ? 159 B 1 .
ATOM 4015 C CA   . THR Bxp B 120 ? 21.379  9.97    3.29    1 31.071 ? 159 B 1 .
ATOM 4016 C C    . THR Bxp B 120 ? 20.023  9.998   3.973   1 29.627 ? 159 B 1 .
ATOM 4017 O O    . THR Bxp B 120 ? 19.726  9.163   4.826   1 32.361 ? 159 B 1 .
ATOM 4018 C CB   . THR Bxp B 120 ? 21.459  8.763   2.366   1 30.59  ? 159 B 1 .
ATOM 4019 O OG1  . THR Bxp B 120 ? 21.912  9.39    1.17    1 34.049 ? 159 B 1 .
ATOM 4020 C CG2  . THR Bxp B 120 ? 20.119  8.078   2.15    1 30.321 ? 159 B 1 .
ATOM 4021 H H    . THR Bxp B 120 ? 22.631  9.145   4.697   1 31.755 ? 159 B 1 c
ATOM 4022 H HA   . THR Bxp B 120 ? 21.477  10.784  2.75    1 30.904 ? 159 B 1 c
ATOM 4023 H HB   . THR Bxp B 120 ? 22.134  8.116   2.684   1 31.288 ? 159 B 1 c
ATOM 4024 H HG1  . THR Bxp B 120 ? 21.452  10.027  0.845   0 18.63  ? 159 B 1 c
ATOM 4025 H HG21 . THR Bxp B 120 ? 20.187  7.472   1.393   1 30.395 ? 159 B 1 c
ATOM 4026 H HG22 . THR Bxp B 120 ? 19.435  8.742   1.965   1 30.37  ? 159 B 1 c
ATOM 4027 H HG23 . THR Bxp B 120 ? 19.877  7.571   2.943   1 30.4   ? 159 B 1 c
ATOM 4028 N N    . MET Bxp B 121 ? 19.175  10.9    3.478   1 25.78  ? 160 B 1 .
ATOM 4029 C CA   . MET Bxp B 121 ? 17.869  11.095  4.06    1 23.48  ? 160 B 1 .
ATOM 4030 C C    . MET Bxp B 121 ? 16.787  10.815  3.023   1 19.985 ? 160 B 1 .
ATOM 4031 O O    . MET Bxp B 121 ? 16.731  11.428  1.961   1 17.643 ? 160 B 1 .
ATOM 4032 C CB   . MET Bxp B 121 ? 17.73   12.513  4.612   1 26.238 ? 160 B 1 .
ATOM 4033 C CG   . MET Bxp B 121 ? 18.388  12.708  5.96    1 28.989 ? 160 B 1 .
ATOM 4034 S SD   . MET Bxp B 121 ? 18.256  14.398  6.587   1 32.391 ? 160 B 1 .
ATOM 4035 C CE   . MET Bxp B 121 ? 18.994  15.29   5.205   1 35.16  ? 160 B 1 .
ATOM 4036 H H    . MET Bxp B 121 ? 19.416  11.404  2.755   1 26.197 ? 160 B 1 c
ATOM 4037 H HA   . MET Bxp B 121 ? 17.761  10.451  4.803   1 23.66  ? 160 B 1 c
ATOM 4038 H HB3  . MET Bxp B 121 ? 16.776  12.728  4.689   1 25.974 ? 160 B 1 c
ATOM 4039 H HB2  . MET Bxp B 121 ? 18.126  13.138  3.968   1 26.221 ? 160 B 1 c
ATOM 4040 H HG3  . MET Bxp B 121 ? 19.335  12.473  5.892   1 28.894 ? 160 B 1 c
ATOM 4041 H HG2  . MET Bxp B 121 ? 17.977  12.103  6.608   1 28.85  ? 160 B 1 c
ATOM 4042 H HE3  . MET Bxp B 121 ? 18.323  15.428  4.511   1 34.344 ? 160 B 1 c
ATOM 4043 H HE2  . MET Bxp B 121 ? 19.736  14.771  4.843   1 34.396 ? 160 B 1 c
ATOM 4044 H HE1  . MET Bxp B 121 ? 19.322  16.154  5.515   1 34.285 ? 160 B 1 c
ATOM 4045 N N    . THR Bxp B 122 ? 15.903  9.877   3.386   1 17.607 ? 161 B 1 .
ATOM 4046 C CA   . THR Bxp B 122 ? 14.618  9.718   2.736   1 15.414 ? 161 B 1 .
ATOM 4047 C C    . THR Bxp B 122 ? 13.699  10.865  3.147   1 14.795 ? 161 B 1 .
ATOM 4048 O O    . THR Bxp B 122 ? 13.885  11.493  4.179   1 14.493 ? 161 B 1 .
ATOM 4049 C CB   . THR Bxp B 122 ? 14.082  8.345   3.107   1 13.978 ? 161 B 1 .
ATOM 4050 O OG1  . THR Bxp B 122 ? 14.122  8.276   4.523   1 13.406 ? 161 B 1 .
ATOM 4051 C CG2  . THR Bxp B 122 ? 14.989  7.256   2.572   1 13.648 ? 161 B 1 .
ATOM 4052 H H    . THR Bxp B 122 ? 16.114  9.316   4.076   1 17.605 ? 161 B 1 c
ATOM 4053 H HA   . THR Bxp B 122 ? 14.753  9.751   1.764   1 15.441 ? 161 B 1 c
ATOM 4054 H HB   . THR Bxp B 122 ? 13.157  8.225   2.786   1 14.05  ? 161 B 1 c
ATOM 4055 H HG1  . THR Bxp B 122 ? 14.876  8.279   4.781   0 8.26   ? 161 B 1 c
ATOM 4056 H HG21 . THR Bxp B 122 ? 14.52   6.405   2.589   1 13.76  ? 161 B 1 c
ATOM 4057 H HG22 . THR Bxp B 122 ? 15.787  7.195   3.124   1 13.79  ? 161 B 1 c
ATOM 4058 H HG23 . THR Bxp B 122 ? 15.245  7.465   1.658   1 13.775 ? 161 B 1 c
ATOM 4059 N N    . GLU Bxp B 123 ? 12.707  11.161  2.312   1 15.2   ? 162 B 1 .
ATOM 4060 C CA   . GLU Bxp B 123 ? 11.711  12.161  2.655   1 15.511 ? 162 B 1 .
ATOM 4061 C C    . GLU Bxp B 123 ? 11.045  11.731  3.962   1 15.38  ? 162 B 1 .
ATOM 4062 O O    . GLU Bxp B 123 ? 10.73   12.561  4.811   1 15.271 ? 162 B 1 .
ATOM 4063 C CB   . GLU Bxp B 123 ? 10.71   12.297  1.51    1 16.093 ? 162 B 1 .
ATOM 4064 C CG   . GLU Bxp B 123 ? 9.707   13.421  1.714   1 16.647 ? 162 B 1 .
ATOM 4065 C CD   . GLU Bxp B 123 ? 8.883   13.787  0.484   1 18.181 ? 162 B 1 .
ATOM 4066 O OE1  . GLU Bxp B 123 ? 8.778   13.031  -0.528  1 19.295 ? 162 B 1 .
ATOM 4067 O OE2  . GLU Bxp B 123 ? 8.347   14.921  0.55    1 19.596 ? 162 B 1 .
ATOM 4068 H H    . GLU Bxp B 123 ? 12.647  10.73   1.508   1 15.188 ? 162 B 1 c
ATOM 4069 H HA   . GLU Bxp B 123 ? 12.169  13.028  2.796   1 15.489 ? 162 B 1 c
ATOM 4070 H HB3  . GLU Bxp B 123 ? 10.223  11.452  1.415   1 16.084 ? 162 B 1 c
ATOM 4071 H HB2  . GLU Bxp B 123 ? 11.202  12.453  0.677   1 16.089 ? 162 B 1 c
ATOM 4072 H HG3  . GLU Bxp B 123 ? 10.187  14.223  2.013   1 16.861 ? 162 B 1 c
ATOM 4073 H HG2  . GLU Bxp B 123 ? 9.09    13.165  2.431   1 16.807 ? 162 B 1 c
ATOM 4074 N N    . SER Bxp B 124 ? 10.835  10.415  4.087   1 15.343 ? 163 B 1 .
ATOM 4075 C CA   . SER Bxp B 124 ? 10.362  9.762   5.299   1 14.661 ? 163 B 1 .
ATOM 4076 C C    . SER Bxp B 124 ? 11.125  10.253  6.526   1 14.562 ? 163 B 1 .
ATOM 4077 O O    . SER Bxp B 124 ? 10.521  10.695  7.503   1 14.323 ? 163 B 1 .
ATOM 4078 C CB   . SER Bxp B 124 ? 10.506  8.276   5.138   1 14.823 ? 163 B 1 .
ATOM 4079 O OG   . SER Bxp B 124 ? 9.881   7.59    6.206   1 14.982 ? 163 B 1 .
ATOM 4080 H H    . SER Bxp B 124 ? 10.983  9.889   3.355   1 15.188 ? 163 B 1 c
ATOM 4081 H HA   . SER Bxp B 124 ? 9.402   9.978   5.418   1 14.803 ? 163 B 1 c
ATOM 4082 H HB3  . SER Bxp B 124 ? 11.453  8.042   5.111   1 14.821 ? 163 B 1 c
ATOM 4083 H HB2  . SER Bxp B 124 ? 10.1    8       4.295   1 14.826 ? 163 B 1 c
ATOM 4084 H HG   . SER Bxp B 124 ? 9.561   6.897   5.819   0 10.79  ? 163 B 1 c
ATOM 4085 N N    . MET Bxp B 125 ? 12.462  10.169  6.447   1 14.746 ? 164 B 1 .
ATOM 4086 C CA   . MET Bxp B 125 ? 13.347  10.569  7.529   1 14.346 ? 164 B 1 .
ATOM 4087 C C    . MET Bxp B 125 ? 13.284  12.07   7.75    1 12.976 ? 164 B 1 .
ATOM 4088 O O    . MET Bxp B 125 ? 13.277  12.496  8.879   1 13.389 ? 164 B 1 .
ATOM 4089 C CB   . MET Bxp B 125 ? 14.803  10.213  7.234   1 16.005 ? 164 B 1 .
ATOM 4090 C CG   . MET Bxp B 125 ? 15.185  8.822   7.66    1 18.087 ? 164 B 1 .
ATOM 4091 S SD   . MET Bxp B 125 ? 16.563  8.143   6.705   1 21.881 ? 164 B 1 .
ATOM 4092 C CE   . MET Bxp B 125 ? 17.968  9.03    7.417   1 22.76  ? 164 B 1 .
ATOM 4093 H H    . MET Bxp B 125 ? 12.836  9.842   5.681   1 14.639 ? 164 B 1 c
ATOM 4094 H HA   . MET Bxp B 125 ? 13.054  10.111  8.358   1 14.454 ? 164 B 1 c
ATOM 4095 H HB3  . MET Bxp B 125 ? 15.383  10.856  7.695   1 16.04  ? 164 B 1 c
ATOM 4096 H HB2  . MET Bxp B 125 ? 14.961  10.307  6.271   1 16.062 ? 164 B 1 c
ATOM 4097 H HG3  . MET Bxp B 125 ? 14.413  8.23    7.559   1 18.181 ? 164 B 1 c
ATOM 4098 H HG2  . MET Bxp B 125 ? 15.433  8.831   8.606   1 18.201 ? 164 B 1 c
ATOM 4099 H HE3  . MET Bxp B 125 ? 17.823  9.155   8.373   1 22.564 ? 164 B 1 c
ATOM 4100 H HE2  . MET Bxp B 125 ? 18.057  9.899   6.986   1 22.604 ? 164 B 1 c
ATOM 4101 H HE1  . MET Bxp B 125 ? 18.783  8.512   7.277   1 22.599 ? 164 B 1 c
ATOM 4102 N N    . ILE Bxp B 126 ? 13.313  12.873  6.691   1 12.038 ? 165 B 1 .
ATOM 4103 C CA   . ILE Bxp B 126 ? 13.183  14.316  6.825   1 11.417 ? 165 B 1 .
ATOM 4104 C C    . ILE Bxp B 126 ? 11.905  14.679  7.574   1 11.327 ? 165 B 1 .
ATOM 4105 O O    . ILE Bxp B 126 ? 11.901  15.565  8.413   1 11.984 ? 165 B 1 .
ATOM 4106 C CB   . ILE Bxp B 126 ? 13.178  14.994  5.449   1 10.948 ? 165 B 1 .
ATOM 4107 C CG1  . ILE Bxp B 126 ? 14.555  14.891  4.773   1 10.977 ? 165 B 1 .
ATOM 4108 C CG2  . ILE Bxp B 126 ? 12.671  16.435  5.567   1 10.329 ? 165 B 1 .
ATOM 4109 C CD1  . ILE Bxp B 126 ? 14.489  14.812  3.257   1 11.037 ? 165 B 1 .
ATOM 4110 H H    . ILE Bxp B 126 ? 13.419  12.514  5.858   1 12.107 ? 165 B 1 c
ATOM 4111 H HA   . ILE Bxp B 126 ? 13.948  14.65   7.332   1 11.431 ? 165 B 1 c
ATOM 4112 H HB   . ILE Bxp B 126 ? 12.543  14.507  4.888   1 10.947 ? 165 B 1 c
ATOM 4113 H HG12 . ILE Bxp B 126 ? 15.013  14.094  5.11    1 11.074 ? 165 B 1 c
ATOM 4114 H HG13 . ILE Bxp B 126 ? 15.088  15.672  5.025   1 10.998 ? 165 B 1 c
ATOM 4115 H HG21 . ILE Bxp B 126 ? 12.884  16.921  4.753   1 10.508 ? 165 B 1 c
ATOM 4116 H HG22 . ILE Bxp B 126 ? 13.1    16.871  6.322   1 10.511 ? 165 B 1 c
ATOM 4117 H HG23 . ILE Bxp B 126 ? 11.709  16.436  5.697   1 10.508 ? 165 B 1 c
ATOM 4118 H HD11 . ILE Bxp B 126 ? 14.323  13.891  2.982   1 11.076 ? 165 B 1 c
ATOM 4119 H HD12 . ILE Bxp B 126 ? 15.334  15.117  2.876   1 11.043 ? 165 B 1 c
ATOM 4120 H HD13 . ILE Bxp B 126 ? 13.765  15.383  2.937   1 11.084 ? 165 B 1 c
ATOM 4121 N N    . HIS Bxp B 127 ? 10.804  14.02   7.238   1 11.081 ? 166 B 1 .
ATOM 4122 C CA   . HIS Bxp B 127 ? 9.542   14.267  7.903   1 10.938 ? 166 B 1 .
ATOM 4123 C C    . HIS Bxp B 127 ? 9.696   14.064  9.407   1 11.449 ? 166 B 1 .
ATOM 4124 O O    . HIS Bxp B 127 ? 9.327   14.926  10.205  1 11.126 ? 166 B 1 .
ATOM 4125 C CB   . HIS Bxp B 127 ? 8.492   13.334  7.304   1 10.756 ? 166 B 1 .
ATOM 4126 C CG   . HIS Bxp B 127 ? 7.269   13.167  8.134   1 10.387 ? 166 B 1 .
ATOM 4127 N ND1  . HIS Bxp B 127 ? 6.396   14.212  8.304   1 10.193 ? 166 B 1 .
ATOM 4128 C CD2  . HIS Bxp B 127 ? 6.777   12.143  8.831   1 10.137 ? 166 B 1 .
ATOM 4129 C CE1  . HIS Bxp B 127 ? 5.405   13.823  9.073   1 10.248 ? 166 B 1 .
ATOM 4130 N NE2  . HIS Bxp B 127 ? 5.617   12.575  9.395   1 10.441 ? 166 B 1 .
ATOM 4131 H H    . HIS Bxp B 127 ? 10.837  13.402  6.565   1 11.108 ? 166 B 1 c
ATOM 4132 H HA   . HIS Bxp B 127 ? 9.28    15.206  7.738   1 11.018 ? 166 B 1 c
ATOM 4133 H HB3  . HIS Bxp B 127 ? 8.898   12.453  7.164   1 10.732 ? 166 B 1 c
ATOM 4134 H HB2  . HIS Bxp B 127 ? 8.233   13.676  6.423   1 10.706 ? 166 B 1 c
ATOM 4135 H HD1  . HIS Bxp B 127 ? 6.589   15.165  8.003   0 9.37   ? 166 B 1 c
ATOM 4136 H HD2  . HIS Bxp B 127 ? 7.143   11.285  8.909   1 10.265 ? 166 B 1 c
ATOM 4137 H HE1  . HIS Bxp B 127 ? 4.678   14.351  9.346   1 10.281 ? 166 B 1 c
ATOM 4138 H HE2  . HIS Bxp B 127 ? 4.952   12.183  9.644   0 11.52  ? 166 B 1 c
ATOM 4139 N N    . ASP Bxp B 128 ? 10.238  12.896  9.774   1 12.2   ? 167 B 1 .
ATOM 4140 C CA   . ASP Bxp B 128 ? 10.367  12.48   11.164  1 12.518 ? 167 B 1 .
ATOM 4141 C C    . ASP Bxp B 128 ? 11.224  13.454  11.953  1 11.769 ? 167 B 1 .
ATOM 4142 O O    . ASP Bxp B 128 ? 10.841  13.844  13.034  1 12.315 ? 167 B 1 .
ATOM 4143 C CB   . ASP Bxp B 128 ? 10.908  11.065  11.267  1 12.987 ? 167 B 1 .
ATOM 4144 C CG   . ASP Bxp B 128 ? 9.887   10.004  10.899  1 13.802 ? 167 B 1 .
ATOM 4145 O OD1  . ASP Bxp B 128 ? 8.678   10.315  10.971  1 14.841 ? 167 B 1 .
ATOM 4146 O OD2  . ASP Bxp B 128 ? 10.304  8.898   10.512  1 14.405 ? 167 B 1 .
ATOM 4147 H H    . ASP Bxp B 128 ? 10.538  12.328  9.123   1 12.084 ? 167 B 1 c
ATOM 4148 H HA   . ASP Bxp B 128 ? 9.468   12.481  11.563  1 12.419 ? 167 B 1 c
ATOM 4149 H HB3  . ASP Bxp B 128 ? 11.206  10.899  12.186  1 13.051 ? 167 B 1 c
ATOM 4150 H HB2  . ASP Bxp B 128 ? 11.682  10.972  10.673  1 13.052 ? 167 B 1 c
ATOM 4151 N N    . TYR Bxp B 129 ? 12.37   13.814  11.395  1 11.662 ? 168 B 1 .
ATOM 4152 C CA   . TYR Bxp B 129 ? 13.282  14.795  11.945  1 11.932 ? 168 B 1 .
ATOM 4153 C C    . TYR Bxp B 129 ? 12.649  16.157  12.142  1 12.223 ? 168 B 1 .
ATOM 4154 O O    . TYR Bxp B 129 ? 12.91   16.797  13.151  1 12.551 ? 168 B 1 .
ATOM 4155 C CB   . TYR Bxp B 129 ? 14.406  15.008  10.942  1 12.346 ? 168 B 1 .
ATOM 4156 C CG   . TYR Bxp B 129 ? 15.351  13.823  10.906  1 12.671 ? 168 B 1 .
ATOM 4157 C CD1  . TYR Bxp B 129 ? 15.499  13.009  12.014  1 12.896 ? 168 B 1 .
ATOM 4158 C CD2  . TYR Bxp B 129 ? 16.078  13.521  9.768   1 12.792 ? 168 B 1 .
ATOM 4159 C CE1  . TYR Bxp B 129 ? 16.373  11.944  12.001  1 13.297 ? 168 B 1 .
ATOM 4160 C CE2  . TYR Bxp B 129 ? 16.949  12.452  9.741   1 12.822 ? 168 B 1 .
ATOM 4161 C CZ   . TYR Bxp B 129 ? 17.101  11.671  10.865  1 13.127 ? 168 B 1 .
ATOM 4162 O OH   . TYR Bxp B 129 ? 17.962  10.624  10.875  1 14.127 ? 168 B 1 .
ATOM 4163 H H    . TYR Bxp B 129 ? 12.603  13.41   10.609  1 11.77  ? 168 B 1 c
ATOM 4164 H HA   . TYR Bxp B 129 ? 13.646  14.471  12.807  1 12.025 ? 168 B 1 c
ATOM 4165 H HB3  . TYR Bxp B 129 ? 14.909  15.815  11.192  1 12.322 ? 168 B 1 c
ATOM 4166 H HB2  . TYR Bxp B 129 ? 14.018  15.142  10.049  1 12.317 ? 168 B 1 c
ATOM 4167 H HD1  . TYR Bxp B 129 ? 15.024  13.201  12.805  1 12.92  ? 168 B 1 c
ATOM 4168 H HD2  . TYR Bxp B 129 ? 15.987  14.064  9.001   1 12.777 ? 168 B 1 c
ATOM 4169 H HE1  . TYR Bxp B 129 ? 16.478  11.409  12.769  1 13.181 ? 168 B 1 c
ATOM 4170 H HE2  . TYR Bxp B 129 ? 17.448  12.266  8.965   1 12.912 ? 168 B 1 c
ATOM 4171 H HH   . TYR Bxp B 129 ? 17.802  10.296  11.706  0 12.37  ? 168 B 1 c
ATOM 4172 N N    . MET Bxp B 130 ? 11.861  16.616  11.174  1 12.508 ? 169 B 1 .
ATOM 4173 C CA   . MET Bxp B 130 ? 11.122  17.849  11.379  1 12.927 ? 169 B 1 .
ATOM 4174 C C    . MET Bxp B 130 ? 10.09   17.692  12.506  1 13.374 ? 169 B 1 .
ATOM 4175 O O    . MET Bxp B 130 ? 9.879   18.644  13.239  1 12.709 ? 169 B 1 .
ATOM 4176 C CB   . MET Bxp B 130 ? 10.535  18.349  10.059  1 12.822 ? 169 B 1 .
ATOM 4177 C CG   . MET Bxp B 130 ? 11.609  18.981  9.177   1 12.773 ? 169 B 1 .
ATOM 4178 S SD   . MET Bxp B 130 ? 10.862  19.491  7.622   1 13.11  ? 169 B 1 .
ATOM 4179 C CE   . MET Bxp B 130 ? 12.151  20.049  6.506   1 13.28  ? 169 B 1 .
ATOM 4180 H H    . MET Bxp B 130 ? 11.784  16.166  10.382  1 12.526 ? 169 B 1 c
ATOM 4181 H HA   . MET Bxp B 130 ? 11.776  18.525  11.691  1 12.899 ? 169 B 1 c
ATOM 4182 H HB3  . MET Bxp B 130 ? 9.836   19.011  10.248  1 12.808 ? 169 B 1 c
ATOM 4183 H HB2  . MET Bxp B 130 ? 10.122  17.596  9.583   1 12.828 ? 169 B 1 c
ATOM 4184 H HG3  . MET Bxp B 130 ? 12.322  18.336  9.001   1 12.848 ? 169 B 1 c
ATOM 4185 H HG2  . MET Bxp B 130 ? 11.996  19.76   9.624   1 12.848 ? 169 B 1 c
ATOM 4186 H HE3  . MET Bxp B 130 ? 12.777  19.319  6.342   1 13.237 ? 169 B 1 c
ATOM 4187 H HE2  . MET Bxp B 130 ? 12.625  20.8    6.907   1 13.237 ? 169 B 1 c
ATOM 4188 H HE1  . MET Bxp B 130 ? 11.751  20.329  5.662   1 13.237 ? 169 B 1 c
ATOM 4189 N N    . ASN Bxp B 131 ? 9.501   16.501  12.703  1 14.45  ? 170 B 1 .
ATOM 4190 C CA   . ASN Bxp B 131 ? 8.701   16.248  13.895  1 15.904 ? 170 B 1 .
ATOM 4191 C C    . ASN Bxp B 131 ? 9.545   16.453  15.138  1 14.834 ? 170 B 1 .
ATOM 4192 O O    . ASN Bxp B 131 ? 9.151   17.124  16.093  1 16.603 ? 170 B 1 .
ATOM 4193 C CB   . ASN Bxp B 131 ? 8.18    14.82   14.031  1 18.522 ? 170 B 1 .
ATOM 4194 C CG   . ASN Bxp B 131 ? 6.797   14.648  13.457  1 22.401 ? 170 B 1 .
ATOM 4195 O OD1  . ASN Bxp B 131 ? 6.018   15.612  13.402  1 22.535 ? 170 B 1 .
ATOM 4196 N ND2  . ASN Bxp B 131 ? 6.48    13.426  13.033  1 24.906 ? 170 B 1 .
ATOM 4197 H H    . ASN Bxp B 131 ? 9.59    15.839  12.079  1 14.493 ? 170 B 1 c
ATOM 4198 H HA   . ASN Bxp B 131 ? 7.938   16.867  13.911  1 15.902 ? 170 B 1 c
ATOM 4199 H HB3  . ASN Bxp B 131 ? 8.163   14.572  14.977  1 18.658 ? 170 B 1 c
ATOM 4200 H HB2  . ASN Bxp B 131 ? 8.789   14.211  13.573  1 18.632 ? 170 B 1 c
ATOM 4201 H HD21 . ASN Bxp B 131 ? 5.992   13.325  12.3    1 24.096 ? 170 B 1 c
ATOM 4202 H HD22 . ASN Bxp B 131 ? 6.758   12.715  13.485  1 24.063 ? 170 B 1 c
ATOM 4203 N N    . LEU Bxp B 132 ? 10.692  15.794  15.13   1 13.273 ? 171 B 1 .
ATOM 4204 C CA   . LEU Bxp B 132 ? 11.527  15.753  16.3    1 12.162 ? 171 B 1 .
ATOM 4205 C C    . LEU Bxp B 132 ? 11.682  17.163  16.848  1 12.141 ? 171 B 1 .
ATOM 4206 O O    . LEU Bxp B 132 ? 11.773  17.304  18.056  1 12.721 ? 171 B 1 .
ATOM 4207 C CB   . LEU Bxp B 132 ? 12.856  15.129  15.92   1 11.706 ? 171 B 1 .
ATOM 4208 C CG   . LEU Bxp B 132 ? 13.909  15.162  17.014  1 11.825 ? 171 B 1 .
ATOM 4209 C CD1  . LEU Bxp B 132 ? 13.332  14.45   18.222  1 11.993 ? 171 B 1 .
ATOM 4210 C CD2  . LEU Bxp B 132 ? 15.206  14.537  16.533  1 11.789 ? 171 B 1 .
ATOM 4211 H H    . LEU Bxp B 132 ? 10.959  15.35   14.376  1 13.377 ? 171 B 1 c
ATOM 4212 H HA   . LEU Bxp B 132 ? 11.08   15.19   16.981  1 12.278 ? 171 B 1 c
ATOM 4213 H HB3  . LEU Bxp B 132 ? 13.209  15.606  15.135  1 11.85  ? 171 B 1 c
ATOM 4214 H HB2  . LEU Bxp B 132 ? 12.697  14.191  15.666  1 11.84  ? 171 B 1 c
ATOM 4215 H HG   . LEU Bxp B 132 ? 14.087  16.107  17.257  1 11.829 ? 171 B 1 c
ATOM 4216 H HD11 . LEU Bxp B 132 ? 12.611  14.977  18.602  1 11.986 ? 171 B 1 c
ATOM 4217 H HD12 . LEU Bxp B 132 ? 14.029  14.336  18.887  1 12.074 ? 171 B 1 c
ATOM 4218 H HD13 . LEU Bxp B 132 ? 12.992  13.579  17.957  1 11.998 ? 171 B 1 c
ATOM 4219 H HD21 . LEU Bxp B 132 ? 15.344  14.754  15.596  1 11.808 ? 171 B 1 c
ATOM 4220 H HD22 . LEU Bxp B 132 ? 15.16   13.571  16.636  1 11.803 ? 171 B 1 c
ATOM 4221 H HD23 . LEU Bxp B 132 ? 15.948  14.883  17.057  1 11.802 ? 171 B 1 c
ATOM 4222 N N    . ILE Bxp B 133 ? 11.698  18.2    15.997  1 11.953 ? 172 B 1 .
ATOM 4223 C CA   . ILE Bxp B 133 ? 12.138  19.507  16.466  1 12.081 ? 172 B 1 .
ATOM 4224 C C    . ILE Bxp B 133 ? 11.059  20.575  16.424  1 12.747 ? 172 B 1 .
ATOM 4225 O O    . ILE Bxp B 133 ? 11.315  21.699  16.841  1 12.395 ? 172 B 1 .
ATOM 4226 C CB   . ILE Bxp B 133 ? 13.369  20.012  15.702  1 11.937 ? 172 B 1 .
ATOM 4227 C CG1  . ILE Bxp B 133 ? 13.257  19.779  14.215  1 11.954 ? 172 B 1 .
ATOM 4228 C CG2  . ILE Bxp B 133 ? 14.638  19.407  16.295  1 11.97  ? 172 B 1 .
ATOM 4229 C CD1  . ILE Bxp B 133 ? 14.291  20.531  13.401  1 12.21  ? 172 B 1 .
ATOM 4230 H H    . ILE Bxp B 133 ? 11.45   18.094  15.124  1 12.065 ? 172 B 1 c
ATOM 4231 H HA   . ILE Bxp B 133 ? 12.404  19.406  17.4    1 12.152 ? 172 B 1 c
ATOM 4232 H HB   . ILE Bxp B 133 ? 13.421  20.979  15.837  1 11.981 ? 172 B 1 c
ATOM 4233 H HG12 . ILE Bxp B 133 ? 12.364  20.047  13.918  1 12.012 ? 172 B 1 c
ATOM 4234 H HG13 . ILE Bxp B 133 ? 13.359  18.823  14.04   1 12.013 ? 172 B 1 c
ATOM 4235 H HG21 . ILE Bxp B 133 ? 15.415  19.756  15.828  1 11.963 ? 172 B 1 c
ATOM 4236 H HG22 . ILE Bxp B 133 ? 14.613  18.44   16.201  1 11.961 ? 172 B 1 c
ATOM 4237 H HG23 . ILE Bxp B 133 ? 14.699  19.637  17.237  1 11.962 ? 172 B 1 c
ATOM 4238 H HD11 . ILE Bxp B 133 ? 14.357  21.45   13.723  1 12.133 ? 172 B 1 c
ATOM 4239 H HD12 . ILE Bxp B 133 ? 14.025  20.535  12.462  1 12.134 ? 172 B 1 c
ATOM 4240 H HD13 . ILE Bxp B 133 ? 15.159  20.093  13.489  1 12.133 ? 172 B 1 c
ATOM 4241 N N    . LYS Bxp B 134 ? 9.869   20.27   15.922  1 13.952 ? 173 B 1 .
ATOM 4242 C CA   . LYS Bxp B 134 ? 8.866   21.309  15.865  1 14.711 ? 173 B 1 .
ATOM 4243 C C    . LYS Bxp B 134 ? 8.473   21.673  17.287  1 15.853 ? 173 B 1 .
ATOM 4244 O O    . LYS Bxp B 134 ? 8.47    20.802  18.153  1 15.863 ? 173 B 1 .
ATOM 4245 C CB   . LYS Bxp B 134 ? 7.666   20.862  15.049  1 15.139 ? 173 B 1 .
ATOM 4246 C CG   . LYS Bxp B 134 ? 7.017   19.624  15.563  1 16.452 ? 173 B 1 .
ATOM 4247 C CD   . LYS Bxp B 134 ? 5.89    19.263  14.617  1 18.226 ? 173 B 1 .
ATOM 4248 C CE   . LYS Bxp B 134 ? 4.905   18.329  15.229  1 20.377 ? 173 B 1 .
ATOM 4249 N NZ   . LYS Bxp B 134 ? 3.608   18.499  14.548  1 22.159 ? 173 B 1 .
ATOM 4250 H H    . LYS Bxp B 134 ? 9.684   19.433  15.608  1 13.834 ? 173 B 1 c
ATOM 4251 H HA   . LYS Bxp B 134 ? 9.268   22.098  15.426  1 14.84  ? 173 B 1 c
ATOM 4252 H HB3  . LYS Bxp B 134 ? 7.951   20.704  14.124  1 15.286 ? 173 B 1 c
ATOM 4253 H HB2  . LYS Bxp B 134 ? 7.002   21.584  15.04   1 15.344 ? 173 B 1 c
ATOM 4254 H HG3  . LYS Bxp B 134 ? 6.661   19.786  16.463  1 16.545 ? 173 B 1 c
ATOM 4255 H HG2  . LYS Bxp B 134 ? 7.67    18.896  15.596  1 16.485 ? 173 B 1 c
ATOM 4256 H HD3  . LYS Bxp B 134 ? 6.27    18.846  13.813  1 18.2   ? 173 B 1 c
ATOM 4257 H HD2  . LYS Bxp B 134 ? 5.426   20.084  14.341  1 18.261 ? 173 B 1 c
ATOM 4258 H HE3  . LYS Bxp B 134 ? 4.798   18.519  16.178  1 20.241 ? 173 B 1 c
ATOM 4259 H HE2  . LYS Bxp B 134 ? 5.206   17.409  15.127  1 20.264 ? 173 B 1 c
ATOM 4260 H HZ1  . LYS Bxp B 134 ? 3.72    18.445  13.65   1 21.567 ? 173 B 1 c
ATOM 4261 H HZ2  . LYS Bxp B 134 ? 3.255   19.307  14.756  1 21.564 ? 173 B 1 c
ATOM 4262 H HZ3  . LYS Bxp B 134 ? 3.037   17.849  14.815  1 21.584 ? 173 B 1 c
ATOM 4263 N N    . PRO Bxp B 135 ? 8.206   22.974  17.557  1 17.941 ? 174 B 1 .
ATOM 4264 C CA   . PRO Bxp B 135 ? 7.726   23.46   18.844  1 19.794 ? 174 B 1 .
ATOM 4265 C C    . PRO Bxp B 135 ? 6.525   22.728  19.437  1 22.786 ? 174 B 1 .
ATOM 4266 O O    . PRO Bxp B 135 ? 6.61    22.253  20.567  1 23.671 ? 174 B 1 .
ATOM 4267 C CB   . PRO Bxp B 135 ? 7.344   24.92   18.6    1 19.182 ? 174 B 1 .
ATOM 4268 C CG   . PRO Bxp B 135 ? 7.621   25.208  17.155  1 18.533 ? 174 B 1 .
ATOM 4269 C CD   . PRO Bxp B 135 ? 8.464   24.08   16.627  1 18.765 ? 174 B 1 .
ATOM 4270 H HA   . PRO Bxp B 135 ? 8.465   23.431  19.487  1 19.833 ? 174 B 1 c
ATOM 4271 H HB3  . PRO Bxp B 135 ? 7.871   25.51   19.172  1 19.175 ? 174 B 1 c
ATOM 4272 H HB2  . PRO Bxp B 135 ? 6.4     25.069  18.802  1 19.214 ? 174 B 1 c
ATOM 4273 H HG3  . PRO Bxp B 135 ? 8.098   26.057  17.062  1 18.721 ? 174 B 1 c
ATOM 4274 H HG2  . PRO Bxp B 135 ? 6.785   25.267  16.653  1 18.675 ? 174 B 1 c
ATOM 4275 H HD3  . PRO Bxp B 135 ? 8.195   23.842  15.72   1 18.4   ? 174 B 1 c
ATOM 4276 H HD2  . PRO Bxp B 135 ? 9.411   24.316  16.629  1 18.449 ? 174 B 1 c
ATOM 4277 N N    . GLY Bxp B 136 ? 5.405   22.646  18.709  1 25.237 ? 175 B 1 .
ATOM 4278 C CA   . GLY Bxp B 136 ? 4.224   22.069  19.327  1 28.229 ? 175 B 1 .
ATOM 4279 C C    . GLY Bxp B 136 ? 3.317   21.339  18.344  1 29.449 ? 175 B 1 .
ATOM 4280 O O    . GLY Bxp B 136 ? 3.779   20.504  17.574  1 27.577 ? 175 B 1 .
ATOM 4281 H H    . GLY Bxp B 136 ? 5.375   22.942  17.845  1 25.217 ? 175 B 1 c
ATOM 4282 H HA3  . GLY Bxp B 136 ? 3.716   22.792  19.765  1 27.761 ? 175 B 1 c
ATOM 4283 H HA2  . GLY Bxp B 136 ? 4.506   21.437  20.028  1 27.69  ? 175 B 1 c
ATOM 4284 N N    . GLU Bxp B 137 ? 2.013   21.645  18.467  1 30.261 ? 176 B 1 .
ATOM 4285 C CA   . GLU Bxp B 137 ? 0.938   21.022  17.71   1 28.032 ? 176 B 1 .
ATOM 4286 C C    . GLU Bxp B 137 ? 1.143   19.497  17.596  1 30.741 ? 176 B 1 .
ATOM 4287 O O    . GLU Bxp B 137 ? 1.422   18.867  18.639  1 30.976 ? 176 B 1 .
ATOM 4288 C CB   . GLU Bxp B 137 ? 0.8     21.75   16.378  1 23.601 ? 176 B 1 .
ATOM 4289 C CG   . GLU Bxp B 137 ? -0.073  22.974  16.542  1 21.708 ? 176 B 1 .
ATOM 4290 C CD   . GLU Bxp B 137 ? -0.098  23.829  15.308  1 21.134 ? 176 B 1 .
ATOM 4291 O OE1  . GLU Bxp B 137 ? -0.968  23.408  14.481  1 18.622 ? 176 B 1 .
ATOM 4292 O OE2  . GLU Bxp B 137 ? 0.711   24.834  15.203  1 18.914 ? 176 B 1 .
ATOM 4293 O OXT  . GLU Bxp B 137 ? 0.96    18.976  16.471  1 35.086 ? 176 B 1 .
ATOM 4294 H H    . GLU Bxp B 137 ? 1.784   22.3    19.062  1 29.52  ? 176 B 1 c
ATOM 4295 H HA   . GLU Bxp B 137 ? 0.098   21.169  18.212  1 27.939 ? 176 B 1 c
ATOM 4296 H HB3  . GLU Bxp B 137 ? 0.4     21.149  15.716  1 24.18  ? 176 B 1 c
ATOM 4297 H HB2  . GLU Bxp B 137 ? 1.689   22.009  16.056  1 24.154 ? 176 B 1 c
ATOM 4298 H HG3  . GLU Bxp B 137 ? 0.262   23.511  17.291  1 21.992 ? 176 B 1 c
ATOM 4299 H HG2  . GLU Bxp B 137 ? -0.989  22.693  16.752  1 22     ? 176 B 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 Axp 99  SER A 138 ? Axp 100 PRO A 139 ? . 0.350268
2 1 Axp 101 LEU A 140 ? Axp 102 PRO A 141 ? . -0.224246162
3 1 Bxp 101 LEU B 140 ? Bxp 102 PRO B 141 ? . -0.0338143069

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_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_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_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_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_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_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_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_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_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_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_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_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_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_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_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_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_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_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_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_PCIS
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
PCIS 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
PCIS 1 CA 1 C 2 N 118.415 1.50
PCIS 1 O  1 C 2 N 121.016 1.53
PCIS 2 CA 2 N 1 C 120.469 1.50
PCIS 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
PCIS psi   1 N  1 CA 1 C  2 N  160.00 30.0 2
PCIS omega 1 CA 1 C  2 N  2 CA 0.00   5.0  0
PCIS 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
PCIS plan-1 1 CA 0.020
PCIS plan-1 1 C  0.020
PCIS plan-1 2 N  0.020
PCIS plan-1 1 O  0.020
PCIS plan-2 1 C  .020
PCIS plan-2 2 N  .020
PCIS plan-2 2 CA .020
PCIS 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
PCIS PCIS ? DEL-OXT peptide ? DEL-HNP P-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
