data_1x24
_entry.id                         1x24

_cell.entry_id                    1x24
_cell.length_a                    146.891
_cell.length_b                    146.891
_cell.length_c                    146.891
_cell.angle_alpha                 90
_cell.angle_beta                  90
_cell.angle_gamma                 90

_symmetry.entry_id                1x24
_symmetry.space_group_name_H-M    "I 21 3"
_symmetry.Int_Tables_number       199

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   PRO ?
A 2   VAL ?
A 3   GLU ?
A 4   VAL ?
A 5   THR ?
A 6   TYR ?
A 7   LYS ?
A 8   ASN ?
A 9   MET ?
A 10  ARG ?
A 11  PHE ?
A 12  LEU ?
A 13  ILE ?
A 14  THR ?
A 15  HIS ?
A 16  ASN ?
A 17  PRO ?
A 18  THR ?
A 19  ASN ?
A 20  ALA ?
A 21  THR ?
A 22  LEU ?
A 23  ASN ?
A 24  LYS ?
A 25  PHE ?
A 26  ILE ?
A 27  GLU ?
A 28  GLU ?
A 29  LEU ?
A 30  LYS ?
A 31  LYS ?
A 32  TYR ?
A 33  GLY ?
A 34  VAL ?
A 35  THR ?
A 36  THR ?
A 37  ILE ?
A 38  VAL ?
A 39  ARG ?
A 40  VAL ?
A 41  CYS ?
A 42  GLU ?
A 43  ALA ?
A 44  THR ?
A 45  TYR ?
A 46  ASP ?
A 47  THR ?
A 48  THR ?
A 49  LEU ?
A 50  VAL ?
A 51  GLU ?
A 52  LYS ?
A 53  GLU ?
A 54  GLY ?
A 55  ILE ?
A 56  HIS ?
A 57  VAL ?
A 58  LEU ?
A 59  ASP ?
A 60  TRP ?
A 61  PRO ?
A 62  PHE ?
A 63  ASP ?
A 64  ASP ?
A 65  GLY ?
A 66  ALA ?
A 67  PRO ?
A 68  PRO ?
A 69  SER ?
A 70  ASN ?
A 71  GLN ?
A 72  ILE ?
A 73  VAL ?
A 74  ASP ?
A 75  ASP ?
A 76  TRP ?
A 77  LEU ?
A 78  SER ?
A 79  LEU ?
A 80  VAL ?
A 81  LYS ?
A 82  ILE ?
A 83  LYS ?
A 84  PHE ?
A 85  ARG ?
A 86  GLU ?
A 87  GLU ?
A 88  PRO ?
A 89  GLY ?
A 90  CYS ?
A 91  CYS ?
A 92  ILE ?
A 93  ALA ?
A 94  VAL ?
A 95  HIS ?
A 96  CYS ?
A 97  VAL ?
A 98  ALA ?
A 99  GLY ?
A 100 LEU ?
A 101 GLY ?
A 102 ARG ?
A 103 ALA ?
A 104 PRO ?
A 105 VAL ?
A 106 LEU ?
A 107 VAL ?
A 108 ALA ?
A 109 LEU ?
A 110 ALA ?
A 111 LEU ?
A 112 ILE ?
A 113 GLU ?
A 114 GLY ?
A 115 GLY ?
A 116 MET ?
A 117 LYS ?
A 118 TYR ?
A 119 GLU ?
A 120 ASP ?
A 121 ALA ?
A 122 VAL ?
A 123 GLN ?
A 124 PHE ?
A 125 ILE ?
A 126 ARG ?
A 127 GLN ?
A 128 LYS ?
A 129 ARG ?
A 130 ARG ?
A 131 GLY ?
A 132 ALA ?
A 133 PHE ?
A 134 ASN ?
A 135 SER ?
A 136 LYS ?
A 137 GLN ?
A 138 LEU ?
A 139 LEU ?
A 140 TYR ?
A 141 LEU ?
A 142 GLU ?
A 143 LYS ?
A 144 TYR ?
A 145 ARG ?
A 146 PRO ?
A 147 LYS ?
A 148 MET ?
A 149 ARG ?
A 150 LEU ?
A 151 ARG ?
A 152 PHE ?
B 1   PRO ?
B 2   VAL ?
B 3   GLU ?
B 4   VAL ?
B 5   THR ?
B 6   TYR ?
B 7   LYS ?
B 8   ASN ?
B 9   MET ?
B 10  ARG ?
B 11  PHE ?
B 12  LEU ?
B 13  ILE ?
B 14  THR ?
B 15  HIS ?
B 16  ASN ?
B 17  PRO ?
B 18  THR ?
B 19  ASN ?
B 20  ALA ?
B 21  THR ?
B 22  LEU ?
B 23  ASN ?
B 24  LYS ?
B 25  PHE ?
B 26  ILE ?
B 27  GLU ?
B 28  GLU ?
B 29  LEU ?
B 30  LYS ?
B 31  LYS ?
B 32  TYR ?
B 33  GLY ?
B 34  VAL ?
B 35  THR ?
B 36  THR ?
B 37  ILE ?
B 38  VAL ?
B 39  ARG ?
B 40  VAL ?
B 41  CYS ?
B 42  GLU ?
B 43  ALA ?
B 44  THR ?
B 45  TYR ?
B 46  ASP ?
B 47  THR ?
B 48  THR ?
B 49  LEU ?
B 50  VAL ?
B 51  GLU ?
B 52  LYS ?
B 53  GLU ?
B 54  GLY ?
B 55  ILE ?
B 56  HIS ?
B 57  VAL ?
B 58  LEU ?
B 59  ASP ?
B 60  TRP ?
B 61  PRO ?
B 62  PHE ?
B 63  ASP ?
B 64  ASP ?
B 65  GLY ?
B 66  ALA ?
B 67  PRO ?
B 68  PRO ?
B 69  SER ?
B 70  ASN ?
B 71  GLN ?
B 72  ILE ?
B 73  VAL ?
B 74  ASP ?
B 75  ASP ?
B 76  TRP ?
B 77  LEU ?
B 78  SER ?
B 79  LEU ?
B 80  VAL ?
B 81  LYS ?
B 82  ILE ?
B 83  LYS ?
B 84  PHE ?
B 85  ARG ?
B 86  GLU ?
B 87  GLU ?
B 88  PRO ?
B 89  GLY ?
B 90  CYS ?
B 91  CYS ?
B 92  ILE ?
B 93  ALA ?
B 94  VAL ?
B 95  HIS ?
B 96  CYS ?
B 97  VAL ?
B 98  ALA ?
B 99  GLY ?
B 100 LEU ?
B 101 GLY ?
B 102 ARG ?
B 103 ALA ?
B 104 PRO ?
B 105 VAL ?
B 106 LEU ?
B 107 VAL ?
B 108 ALA ?
B 109 LEU ?
B 110 ALA ?
B 111 LEU ?
B 112 ILE ?
B 113 GLU ?
B 114 GLY ?
B 115 GLY ?
B 116 MET ?
B 117 LYS ?
B 118 TYR ?
B 119 GLU ?
B 120 ASP ?
B 121 ALA ?
B 122 VAL ?
B 123 GLN ?
B 124 PHE ?
B 125 ILE ?
B 126 ARG ?
B 127 GLN ?
B 128 LYS ?
B 129 ARG ?
B 130 ARG ?
B 131 GLY ?
B 132 ALA ?
B 133 PHE ?
B 134 ASN ?
B 135 SER ?
B 136 LYS ?
B 137 GLN ?
B 138 LEU ?
B 139 LEU ?
B 140 TYR ?
B 141 LEU ?
B 142 GLU ?
B 143 LYS ?
B 144 TYR ?
B 145 ARG ?
B 146 PRO ?
B 147 LYS ?
B 148 MET ?
B 149 ARG ?
B 150 LEU ?
B 151 ARG ?
B 152 PHE ?

loop_
_struct_conn.id
_struct_conn.conn_type_id
_struct_conn.ptnr1_label_asym_id
_struct_conn.ptnr1_label_comp_id
_struct_conn.ptnr1_label_seq_id
_struct_conn.ptnr1_label_atom_id
_struct_conn.pdbx_ptnr1_label_alt_id
_struct_conn.ptnr1_auth_asym_id
_struct_conn.ptnr1_auth_seq_id
_struct_conn.pdbx_ptnr1_PDB_ins_code
_struct_conn.ptnr1_symmetry
_struct_conn.ptnr2_label_asym_id
_struct_conn.ptnr2_label_comp_id
_struct_conn.ptnr2_label_seq_id
_struct_conn.ptnr2_label_atom_id
_struct_conn.pdbx_ptnr2_label_alt_id
_struct_conn.ptnr2_auth_asym_id
_struct_conn.ptnr2_auth_seq_id
_struct_conn.pdbx_ptnr2_PDB_ins_code
_struct_conn.ptnr2_symmetry
_struct_conn.details
_struct_conn.pdbx_dist_value
_struct_conn.ccp4_link_id
1 disulf Axp CYS 41 SG ? A 49 ? 1_555 Axp CYS 96 SG ? A 104 ? 1_555 ? 2.0503 disulf
2 disulf Bxp CYS 41 SG ? B 49 ? 1_555 Bxp CYS 96 SG ? B 104 ? 1_555 ? 2.0111 disulf

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                72.211
_refine.aniso_B[1][1]             0.000
_refine.aniso_B[2][2]             0.000
_refine.aniso_B[3][3]             0.000
_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             3.104
_refine.ls_d_res_low              28.808
_refine.ls_number_reflns_R_work   8474
_refine.ls_number_reflns_R_free   974
_refine.ls_number_reflns_obs      9448
_refine.ls_R_factor_R_work        0.1902
_refine.ls_R_factor_R_free        0.2442
_refine.ls_R_factor_all           0.196
_refine.ls_wR_factor_R_work       0.183
_refine.ls_wR_factor_R_free       0.235
_refine.ls_percent_reflns_obs     97.462
_refine.ls_percent_reflns_R_free  10.309
_refine.correlation_coeff_Fo_to_Fc 0.938
_refine.correlation_coeff_Fo_to_Fc_free 0.896
_refine.pdbx_overall_ESU_R        ?
_refine.pdbx_overall_ESU_R_Free   0.426
_refine.overall_SU_ML             0.310
_refine.overall_SU_B              17.722
_refine.pdbx_average_fsc_overall  ?
_refine.pdbx_average_fsc_work     0.9729
_refine.pdbx_average_fsc_free     0.9551
_refine.entry_id                  1x24
_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 28.808 12.564 155 94.8387  133 0.286 0.298 14 0.403 0.303 0.941 0.862 "X-RAY DIFFRACTION"
20 12.564 9.339  221 99.0950  187 0.173 0.174 32 0.176 0.201 0.983 0.982 "X-RAY DIFFRACTION"
20 9.339  7.762  277 98.5560  250 0.158 0.162 23 0.211 0.169 0.984 0.982 "X-RAY DIFFRACTION"
20 7.762  6.784  315 99.3651  282 0.221 0.229 31 0.286 0.233 0.968 0.954 "X-RAY DIFFRACTION"
20 6.784  6.102  348 99.1379  304 0.226 0.237 41 0.319 0.223 0.968 0.938 "X-RAY DIFFRACTION"
20 6.102  5.591  398 100.0000 356 0.223 0.226 42 0.254 0.213 0.976 0.970 "X-RAY DIFFRACTION"
20 5.591  5.190  413 99.5157  369 0.213 0.221 42 0.289 0.202 0.976 0.960 "X-RAY DIFFRACTION"
20 5.190  4.865  443 100.0000 398 0.177 0.178 45 0.188 0.176 0.984 0.977 "X-RAY DIFFRACTION"
20 4.865  4.594  481 100.0000 430 0.155 0.162 51 0.223 0.157 0.985 0.968 "X-RAY DIFFRACTION"
20 4.594  4.364  495 99.7980  444 0.141 0.145 50 0.177 0.141 0.988 0.982 "X-RAY DIFFRACTION"
20 4.364  4.165  527 99.8102  465 0.144 0.148 61 0.180 0.137 0.989 0.981 "X-RAY DIFFRACTION"
20 4.165  3.991  540 98.8889  480 0.158 0.166 54 0.244 0.148 0.985 0.967 "X-RAY DIFFRACTION"
20 3.991  3.838  558 98.2079  489 0.169 0.169 59 0.169 0.154 0.983 0.976 "X-RAY DIFFRACTION"
20 3.838  3.700  600 99.1667  534 0.171 0.181 61 0.273 0.155 0.983 0.951 "X-RAY DIFFRACTION"
20 3.700  3.577  607 99.0115  537 0.179 0.186 64 0.237 0.156 0.980 0.964 "X-RAY DIFFRACTION"
20 3.577  3.465  619 98.7076  552 0.166 0.177 59 0.291 0.144 0.983 0.948 "X-RAY DIFFRACTION"
20 3.465  3.363  635 98.1102  547 0.208 0.216 76 0.283 0.181 0.972 0.951 "X-RAY DIFFRACTION"
20 3.363  3.269  676 97.1893  589 0.220 0.230 68 0.307 0.184 0.968 0.929 "X-RAY DIFFRACTION"
20 3.269  3.183  678 95.4277  600 0.279 0.284 47 0.344 0.237 0.951 0.926 "X-RAY DIFFRACTION"
20 3.183  3.104  692 84.1040  528 0.409 0.414 54 0.460 0.353 0.911 0.898 "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               2508  0.007  0.012  "X-RAY DIFFRACTION"
r_bond_other_d                 2462  0.001  0.016  "X-RAY DIFFRACTION"
r_angle_refined_deg            3394  1.728  1.851  "X-RAY DIFFRACTION"
r_angle_other_deg              5664  0.558  1.772  "X-RAY DIFFRACTION"
r_dihedral_angle_1_deg         302   5.002  5.000  "X-RAY DIFFRACTION"
r_dihedral_angle_2_deg         20    6.360  5.000  "X-RAY DIFFRACTION"
r_dihedral_angle_3_deg         452   18.238 10.000 "X-RAY DIFFRACTION"
r_dihedral_angle_6_deg         112   15.977 10.000 "X-RAY DIFFRACTION"
r_chiral_restr                 380   0.073  0.200  "X-RAY DIFFRACTION"
r_gen_planes_refined           2914  0.006  0.020  "X-RAY DIFFRACTION"
r_gen_planes_other             582   0.001  0.020  "X-RAY DIFFRACTION"
r_nbd_refined                  624   0.247  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbd_other           2571  0.218  0.200  "X-RAY DIFFRACTION"
r_nbtor_refined                1258  0.192  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbtor_other         1470  0.086  0.200  "X-RAY DIFFRACTION"
r_xyhbond_nbd_refined          67    0.159  0.200  "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_other   4     0.065  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbd_refined         30    0.205  0.200  "X-RAY DIFFRACTION"
r_nbd_other                    135   0.266  0.200  "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_refined 5     0.236  0.200  "X-RAY DIFFRACTION"
r_mcbond_it                    1214  7.117  6.947  "X-RAY DIFFRACTION"
r_mcbond_other                 1214  7.114  6.947  "X-RAY DIFFRACTION"
r_mcangle_it                   1514  10.882 12.479 "X-RAY DIFFRACTION"
r_mcangle_other                1515  10.879 12.476 "X-RAY DIFFRACTION"
r_scbond_it                    1294  7.659  7.460  "X-RAY DIFFRACTION"
r_scbond_other                 1295  7.656  7.459  "X-RAY DIFFRACTION"
r_scangle_it                   1880  11.968 13.464 "X-RAY DIFFRACTION"
r_scangle_other                1881  11.965 13.461 "X-RAY DIFFRACTION"
r_lrange_it                    10158 16.140 83.443 "X-RAY DIFFRACTION"
r_lrange_other                 10159 16.139 83.440 "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 0.8669

_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    . PRO Axp A 1   ? 39.61  25.195 105.701 1 102.808 ? 9   A 1 .
ATOM 2    C CA   . PRO Axp A 1   ? 38.117 25.4   105.57  1 99.243  ? 9   A 1 .
ATOM 3    C C    . PRO Axp A 1   ? 37.746 26.886 105.694 1 89.062  ? 9   A 1 .
ATOM 4    O O    . PRO Axp A 1   ? 37.429 27.384 106.774 1 73.205  ? 9   A 1 .
ATOM 5    C CB   . PRO Axp A 1   ? 37.503 24.477 106.629 1 102.475 ? 9   A 1 .
ATOM 6    C CG   . PRO Axp A 1   ? 38.606 24.363 107.663 1 113.154 ? 9   A 1 .
ATOM 7    C CD   . PRO Axp A 1   ? 39.886 24.312 106.88  1 107.074 ? 9   A 1 .
ATOM 8    H H    . PRO Axp A 1   ? 40.029 25.996 105.81  1 102.862 ? 9   A 1 c
ATOM 9    H H2   . PRO Axp A 1   ? 39.93  24.806 104.943 1 102.93  ? 9   A 1 c
ATOM 10   H HA   . PRO Axp A 1   ? 37.835 25.08  104.69  1 98.349  ? 9   A 1 c
ATOM 11   H HB3  . PRO Axp A 1   ? 37.285 23.603 106.249 1 103.999 ? 9   A 1 c
ATOM 12   H HB2  . PRO Axp A 1   ? 36.697 24.871 107.015 1 103.768 ? 9   A 1 c
ATOM 13   H HG3  . PRO Axp A 1   ? 38.498 23.55  108.197 1 109.265 ? 9   A 1 c
ATOM 14   H HG2  . PRO Axp A 1   ? 38.601 25.136 108.262 1 109.265 ? 9   A 1 c
ATOM 15   H HD3  . PRO Axp A 1   ? 40.636 24.657 107.402 1 107.419 ? 9   A 1 c
ATOM 16   H HD2  . PRO Axp A 1   ? 40.088 23.401 106.59  1 107.419 ? 9   A 1 c
ATOM 17   N N    . VAL Axp A 2   ? 37.776 27.585 104.55  1 87.24   ? 10  A 1 .
ATOM 18   C CA   . VAL Axp A 2   ? 37.393 28.988 104.431 1 76.966  ? 10  A 1 .
ATOM 19   C C    . VAL Axp A 2   ? 35.907 29.073 104.077 1 68.54   ? 10  A 1 .
ATOM 20   O O    . VAL Axp A 2   ? 35.428 28.417 103.143 1 62.937  ? 10  A 1 .
ATOM 21   C CB   . VAL Axp A 2   ? 38.243 29.717 103.362 1 78.642  ? 10  A 1 .
ATOM 22   C CG1  . VAL Axp A 2   ? 39.738 29.635 103.649 1 78.857  ? 10  A 1 .
ATOM 23   C CG2  . VAL Axp A 2   ? 37.988 29.221 101.937 1 79.013  ? 10  A 1 .
ATOM 24   H H    . VAL Axp A 2   ? 38.056 27.154 103.795 1 85.31   ? 10  A 1 c
ATOM 25   H HA   . VAL Axp A 2   ? 37.538 29.424 105.293 1 77.326  ? 10  A 1 c
ATOM 26   H HB   . VAL Axp A 2   ? 37.988 30.668 103.393 1 78.368  ? 10  A 1 c
ATOM 27   H HG11 . VAL Axp A 2   ? 40.051 28.729 103.487 1 78.816  ? 10  A 1 c
ATOM 28   H HG12 . VAL Axp A 2   ? 39.904 29.873 104.577 1 78.816  ? 10  A 1 c
ATOM 29   H HG13 . VAL Axp A 2   ? 40.214 30.25  103.068 1 78.889  ? 10  A 1 c
ATOM 30   H HG21 . VAL Axp A 2   ? 38.642 29.615 101.335 1 78.983  ? 10  A 1 c
ATOM 31   H HG22 . VAL Axp A 2   ? 37.095 29.478 101.653 1 78.65   ? 10  A 1 c
ATOM 32   H HG23 . VAL Axp A 2   ? 38.073 28.256 101.914 1 78.764  ? 10  A 1 c
ATOM 33   N N    . GLU Axp A 3   ? 35.185 29.927 104.808 1 63.183  ? 11  A 1 .
ATOM 34   C CA   . GLU Axp A 3   ? 33.764 30.177 104.575 1 52.668  ? 11  A 1 .
ATOM 35   C C    . GLU Axp A 3   ? 33.606 31.59  104.007 1 46.509  ? 11  A 1 .
ATOM 36   O O    . GLU Axp A 3   ? 34.261 32.512 104.468 1 49.821  ? 11  A 1 .
ATOM 37   C CB   . GLU Axp A 3   ? 33.107 29.91  105.927 1 48.554  ? 11  A 1 .
ATOM 38   C CG   . GLU Axp A 3   ? 31.6   30.046 105.941 1 51.678  ? 11  A 1 .
ATOM 39   C CD   . GLU Axp A 3   ? 30.918 29.641 107.244 1 59.255  ? 11  A 1 .
ATOM 40   O OE1  . GLU Axp A 3   ? 31.398 29.873 108.38  1 58.85   ? 11  A 1 .
ATOM 41   O OE2  . GLU Axp A 3   ? 29.805 29.101 107.105 1 69.982  ? 11  A 1 .
ATOM 42   H H    . GLU Axp A 3   ? 35.597 30.381 105.486 1 61.85   ? 11  A 1 c
ATOM 43   H HA   . GLU Axp A 3   ? 33.429 29.522 103.913 1 52.728  ? 11  A 1 c
ATOM 44   H HB3  . GLU Axp A 3   ? 33.481 30.532 106.585 1 50.256  ? 11  A 1 c
ATOM 45   H HB2  . GLU Axp A 3   ? 33.339 29.001 106.213 1 50.256  ? 11  A 1 c
ATOM 46   H HG3  . GLU Axp A 3   ? 31.228 29.499 105.216 1 52.653  ? 11  A 1 c
ATOM 47   H HG2  . GLU Axp A 3   ? 31.365 30.978 105.749 1 52.555  ? 11  A 1 c
ATOM 48   N N    . VAL Axp A 4   ? 32.782 31.761 102.973 1 44.538  ? 12  A 1 .
ATOM 49   C CA   . VAL Axp A 4   ? 32.568 33.076 102.372 1 48.721  ? 12  A 1 .
ATOM 50   C C    . VAL Axp A 4   ? 31.071 33.26  102.11  1 49.411  ? 12  A 1 .
ATOM 51   O O    . VAL Axp A 4   ? 30.424 32.373 101.546 1 51.817  ? 12  A 1 .
ATOM 52   C CB   . VAL Axp A 4   ? 33.412 33.307 101.101 1 49.62   ? 12  A 1 .
ATOM 53   C CG1  . VAL Axp A 4   ? 34.191 32.085 100.694 1 57.304  ? 12  A 1 .
ATOM 54   C CG2  . VAL Axp A 4   ? 32.607 33.761 99.895  1 52.169  ? 12  A 1 .
ATOM 55   H H    . VAL Axp A 4   ? 32.336 31.042 102.629 1 46.084  ? 12  A 1 c
ATOM 56   H HA   . VAL Axp A 4   ? 32.837 33.748 103.026 1 48.128  ? 12  A 1 c
ATOM 57   H HB   . VAL Axp A 4   ? 34.062 34.018 101.311 1 51.298  ? 12  A 1 c
ATOM 58   H HG11 . VAL Axp A 4   ? 33.582 31.34  100.555 1 54.795  ? 12  A 1 c
ATOM 59   H HG12 . VAL Axp A 4   ? 34.829 31.857 101.391 1 54.763  ? 12  A 1 c
ATOM 60   H HG13 . VAL Axp A 4   ? 34.671 32.266 99.868  1 54.814  ? 12  A 1 c
ATOM 61   H HG21 . VAL Axp A 4   ? 33.213 34.004 99.175  1 51.421  ? 12  A 1 c
ATOM 62   H HG22 . VAL Axp A 4   ? 32.067 34.534 100.133 1 51.395  ? 12  A 1 c
ATOM 63   H HG23 . VAL Axp A 4   ? 32.028 33.039 99.596  1 51.398  ? 12  A 1 c
ATOM 64   N N    . THR Axp A 5   ? 30.513 34.407 102.525 1 44.185  ? 13  A 1 .
ATOM 65   C CA   . THR Axp A 5   ? 29.1   34.625 102.266 1 45.217  ? 13  A 1 .
ATOM 66   C C    . THR Axp A 5   ? 28.81  36.048 101.777 1 44.336  ? 13  A 1 .
ATOM 67   O O    . THR Axp A 5   ? 29.459 37.039 102.136 1 40.38   ? 13  A 1 .
ATOM 68   C CB   . THR Axp A 5   ? 28.307 34.236 103.513 1 49.76   ? 13  A 1 .
ATOM 69   O OG1  . THR Axp A 5   ? 27.888 35.391 104.242 1 44.016  ? 13  A 1 .
ATOM 70   C CG2  . THR Axp A 5   ? 29.08  33.234 104.355 1 47.286  ? 13  A 1 .
ATOM 71   H H    . THR Axp A 5   ? 31.002 35.044 102.961 1 45.657  ? 13  A 1 c
ATOM 72   H HA   . THR Axp A 5   ? 28.835 34.01  101.549 1 45.662  ? 13  A 1 c
ATOM 73   H HB   . THR Axp A 5   ? 27.496 33.764 103.209 1 47.277  ? 13  A 1 c
ATOM 74   H HG1  . THR Axp A 5   ? 28.768 35.744 104.511 0 41.73   ? 13  A 1 c
ATOM 75   H HG21 . THR Axp A 5   ? 28.578 33.034 105.159 1 48.15   ? 13  A 1 c
ATOM 76   H HG22 . THR Axp A 5   ? 29.943 33.603 104.586 1 48.047  ? 13  A 1 c
ATOM 77   H HG23 . THR Axp A 5   ? 29.209 32.42  103.847 1 48.091  ? 13  A 1 c
ATOM 78   N N    . TYR Axp A 6   ? 27.786 36.116 100.929 1 41.39   ? 14  A 1 .
ATOM 79   C CA   . TYR Axp A 6   ? 27.423 37.334 100.238 1 42.867  ? 14  A 1 .
ATOM 80   C C    . TYR Axp A 6   ? 25.937 37.243 99.949  1 46.328  ? 14  A 1 .
ATOM 81   O O    . TYR Axp A 6   ? 25.477 36.204 99.469  1 46.58   ? 14  A 1 .
ATOM 82   C CB   . TYR Axp A 6   ? 28.234 37.458 98.949  1 43.056  ? 14  A 1 .
ATOM 83   C CG   . TYR Axp A 6   ? 28.017 38.733 98.158  1 45.836  ? 14  A 1 .
ATOM 84   C CD1  . TYR Axp A 6   ? 28.239 39.962 98.741  1 49.573  ? 14  A 1 .
ATOM 85   C CD2  . TYR Axp A 6   ? 27.556 38.72  96.848  1 54.385  ? 14  A 1 .
ATOM 86   C CE1  . TYR Axp A 6   ? 28.052 41.141 98.041  1 53.954  ? 14  A 1 .
ATOM 87   C CE2  . TYR Axp A 6   ? 27.371 39.892 96.129  1 60.276  ? 14  A 1 .
ATOM 88   C CZ   . TYR Axp A 6   ? 27.634 41.112 96.726  1 59.108  ? 14  A 1 .
ATOM 89   O OH   . TYR Axp A 6   ? 27.461 42.3   96.072  1 70.712  ? 14  A 1 .
ATOM 90   H H    . TYR Axp A 6   ? 27.289 35.364 100.775 1 42.482  ? 14  A 1 c
ATOM 91   H HA   . TYR Axp A 6   ? 27.604 38.116 100.825 1 43.323  ? 14  A 1 c
ATOM 92   H HB3  . TYR Axp A 6   ? 28.015 36.691 98.374  1 43.746  ? 14  A 1 c
ATOM 93   H HB2  . TYR Axp A 6   ? 29.187 37.389 99.178  1 43.659  ? 14  A 1 c
ATOM 94   H HD1  . TYR Axp A 6   ? 28.548 40.001 99.632  1 49.782  ? 14  A 1 c
ATOM 95   H HD2  . TYR Axp A 6   ? 27.398 37.892 96.424  1 53.428  ? 14  A 1 c
ATOM 96   H HE1  . TYR Axp A 6   ? 28.232 41.967 98.456  1 54.076  ? 14  A 1 c
ATOM 97   H HE2  . TYR Axp A 6   ? 27.078 39.858 95.235  1 58.37   ? 14  A 1 c
ATOM 98   H HH   . TYR Axp A 6   ? 27.771 43.065 96.663  0 45.74   ? 14  A 1 c
ATOM 99   N N    . LYS Axp A 7   ? 25.211 38.332 100.242 1 51.842  ? 15  A 1 .
ATOM 100  C CA   . LYS Axp A 7   ? 23.763 38.319 100.102 1 50.226  ? 15  A 1 .
ATOM 101  C C    . LYS Axp A 7   ? 23.21  37.063 100.785 1 44.695  ? 15  A 1 .
ATOM 102  O O    . LYS Axp A 7   ? 23.339 36.904 102.001 1 36.466  ? 15  A 1 .
ATOM 103  C CB   . LYS Axp A 7   ? 23.403 38.341 98.614  1 56.429  ? 15  A 1 .
ATOM 104  C CG   . LYS Axp A 7   ? 24.11  39.391 97.756  1 60.946  ? 15  A 1 .
ATOM 105  C CD   . LYS Axp A 7   ? 23.6   40.806 97.971  1 66.268  ? 15  A 1 .
ATOM 106  C CE   . LYS Axp A 7   ? 23.949 41.708 96.837  1 67.737  ? 15  A 1 .
ATOM 107  N NZ   . LYS Axp A 7   ? 23.592 41.131 95.539  1 69.216  ? 15  A 1 .
ATOM 108  H H    . LYS Axp A 7   ? 25.623 39.094 100.531 1 49.995  ? 15  A 1 c
ATOM 109  H HA   . LYS Axp A 7   ? 23.397 39.122 100.549 1 50.53   ? 15  A 1 c
ATOM 110  H HB3  . LYS Axp A 7   ? 22.435 38.481 98.532  1 55.761  ? 15  A 1 c
ATOM 111  H HB2  . LYS Axp A 7   ? 23.607 37.464 98.228  1 55.553  ? 15  A 1 c
ATOM 112  H HG3  . LYS Axp A 7   ? 23.996 39.144 96.815  1 61.207  ? 15  A 1 c
ATOM 113  H HG2  . LYS Axp A 7   ? 25.07  39.365 97.957  1 60.988  ? 15  A 1 c
ATOM 114  H HD3  . LYS Axp A 7   ? 23.988 41.166 98.798  1 65.342  ? 15  A 1 c
ATOM 115  H HD2  . LYS Axp A 7   ? 22.624 40.785 98.076  1 65.287  ? 15  A 1 c
ATOM 116  H HE3  . LYS Axp A 7   ? 24.905 41.89  96.85   1 67.714  ? 15  A 1 c
ATOM 117  H HE2  . LYS Axp A 7   ? 23.48  42.555 96.944  1 67.736  ? 15  A 1 c
ATOM 118  H HZ1  . LYS Axp A 7   ? 22.833 40.643 95.613  1 68.526  ? 15  A 1 c
ATOM 119  H HZ2  . LYS Axp A 7   ? 24.265 40.608 95.232  1 68.605  ? 15  A 1 c
ATOM 120  H HZ3  . LYS Axp A 7   ? 23.45  41.8   94.945  1 68.684  ? 15  A 1 c
ATOM 121  N N    . ASN Axp A 8   ? 22.642 36.157 99.98   1 43.274  ? 16  A 1 .
ATOM 122  C CA   . ASN Axp A 8   ? 21.924 35.001 100.487 1 47.134  ? 16  A 1 .
ATOM 123  C C    . ASN Axp A 8   ? 22.67  33.706 100.177 1 46.907  ? 16  A 1 .
ATOM 124  O O    . ASN Axp A 8   ? 22.113 32.634 100.356 1 43.344  ? 16  A 1 .
ATOM 125  C CB   . ASN Axp A 8   ? 20.521 34.95  99.891  1 48.572  ? 16  A 1 .
ATOM 126  C CG   . ASN Axp A 8   ? 20.451 34.295 98.527  1 43.944  ? 16  A 1 .
ATOM 127  O OD1  . ASN Axp A 8   ? 21.399 34.316 97.742  1 42.272  ? 16  A 1 .
ATOM 128  N ND2  . ASN Axp A 8   ? 19.327 33.666 98.24   1 44.124  ? 16  A 1 .
ATOM 129  H H    . ASN Axp A 8   ? 22.703 36.258 99.075  1 44.809  ? 16  A 1 c
ATOM 130  H HA   . ASN Axp A 8   ? 21.831 35.088 101.463 1 46.493  ? 16  A 1 c
ATOM 131  H HB3  . ASN Axp A 8   ? 20.177 35.862 99.817  1 47.115  ? 16  A 1 c
ATOM 132  H HB2  . ASN Axp A 8   ? 19.937 34.461 100.504 1 47.12   ? 16  A 1 c
ATOM 133  H HD21 . ASN Axp A 8   ? 19.351 32.883 97.824  1 44.069  ? 16  A 1 c
ATOM 134  H HD22 . ASN Axp A 8   ? 18.548 34.028 98.464  1 44.069  ? 16  A 1 c
ATOM 135  N N    . MET Axp A 9   ? 23.901 33.831 99.674  1 50.696  ? 17  A 1 .
ATOM 136  C CA   . MET Axp A 9   ? 24.761 32.713 99.329  1 48.11   ? 17  A 1 .
ATOM 137  C C    . MET Axp A 9   ? 25.766 32.489 100.459 1 48.924  ? 17  A 1 .
ATOM 138  O O    . MET Axp A 9   ? 26.244 33.444 101.064 1 44.985  ? 17  A 1 .
ATOM 139  C CB   . MET Axp A 9   ? 25.548 33.037 98.049  1 46.525  ? 17  A 1 .
ATOM 140  C CG   . MET Axp A 9   ? 24.696 33.528 96.894  1 44.994  ? 17  A 1 .
ATOM 141  S SD   . MET Axp A 9   ? 25.596 33.804 95.354  1 45.338  ? 17  A 1 .
ATOM 142  C CE   . MET Axp A 9   ? 26.429 35.341 95.752  1 49.828  ? 17  A 1 .
ATOM 143  H H    . MET Axp A 9   ? 24.231 34.672 99.542  1 49.031  ? 17  A 1 c
ATOM 144  H HA   . MET Axp A 9   ? 24.21  31.9   99.198  1 48.446  ? 17  A 1 c
ATOM 145  H HB3  . MET Axp A 9   ? 26.027 32.23  97.766  1 46.683  ? 17  A 1 c
ATOM 146  H HB2  . MET Axp A 9   ? 26.218 33.722 98.26   1 46.564  ? 17  A 1 c
ATOM 147  H HG3  . MET Axp A 9   ? 24.267 34.368 97.152  1 45.451  ? 17  A 1 c
ATOM 148  H HG2  . MET Axp A 9   ? 23.988 32.876 96.724  1 45.428  ? 17  A 1 c
ATOM 149  H HE3  . MET Axp A 9   ? 27.003 35.207 96.529  1 48.664  ? 17  A 1 c
ATOM 150  H HE2  . MET Axp A 9   ? 25.766 36.027 95.952  1 48.664  ? 17  A 1 c
ATOM 151  H HE1  . MET Axp A 9   ? 26.971 35.623 94.992  1 48.664  ? 17  A 1 c
ATOM 152  N N    . ARG Axp A 10  ? 26.13  31.228 100.714 1 54.584  ? 18  A 1 .
ATOM 153  C CA   . ARG Axp A 10  ? 27.188 30.903 101.671 1 57.195  ? 18  A 1 .
ATOM 154  C C    . ARG Axp A 10  ? 27.911 29.641 101.21  1 61.345  ? 18  A 1 .
ATOM 155  O O    . ARG Axp A 10  ? 27.294 28.577 101.122 1 59.714  ? 18  A 1 .
ATOM 156  C CB   . ARG Axp A 10  ? 26.639 30.698 103.087 1 49.961  ? 18  A 1 .
ATOM 157  C CG   . ARG Axp A 10  ? 27.673 30.266 104.112 1 50.245  ? 18  A 1 .
ATOM 158  C CD   . ARG Axp A 10  ? 27.263 30.723 105.518 1 58.612  ? 18  A 1 .
ATOM 159  N NE   . ARG Axp A 10  ? 26.186 29.894 106.078 1 66.404  ? 18  A 1 .
ATOM 160  C CZ   . ARG Axp A 10  ? 26.296 28.592 106.339 1 63.867  ? 18  A 1 .
ATOM 161  N NH1  . ARG Axp A 10  ? 27.471 27.99  106.318 1 62.69   ? 18  A 1 .
ATOM 162  N NH2  . ARG Axp A 10  ? 25.223 27.885 106.605 1 58.875  ? 18  A 1 .
ATOM 163  H H    . ARG Axp A 10  ? 25.707 30.545 100.281 1 53.557  ? 18  A 1 c
ATOM 164  H HA   . ARG Axp A 10  ? 27.836 31.652 101.687 1 55.992  ? 18  A 1 c
ATOM 165  H HB3  . ARG Axp A 10  ? 25.933 30.019 103.052 1 51.602  ? 18  A 1 c
ATOM 166  H HB2  . ARG Axp A 10  ? 26.229 31.538 103.386 1 51.671  ? 18  A 1 c
ATOM 167  H HG3  . ARG Axp A 10  ? 28.546 30.646 103.885 1 51.97   ? 18  A 1 c
ATOM 168  H HG2  . ARG Axp A 10  ? 27.754 29.288 104.099 1 52.158  ? 18  A 1 c
ATOM 169  H HD3  . ARG Axp A 10  ? 26.96  31.652 105.479 1 58.104  ? 18  A 1 c
ATOM 170  H HD2  . ARG Axp A 10  ? 28.04  30.688 106.111 1 58.368  ? 18  A 1 c
ATOM 171  H HE   . ARG Axp A 10  ? 25.424 30.279 106.253 1 63.892  ? 18  A 1 c
ATOM 172  H HH11 . ARG Axp A 10  ? 28.216 28.456 106.233 1 62.816  ? 18  A 1 c
ATOM 173  H HH12 . ARG Axp A 10  ? 27.512 27.111 106.405 1 62.961  ? 18  A 1 c
ATOM 174  H HH21 . ARG Axp A 10  ? 24.474 28.04  106.162 1 60.369  ? 18  A 1 c
ATOM 175  H HH22 . ARG Axp A 10  ? 25.254 27.257 107.227 1 60.369  ? 18  A 1 c
ATOM 176  N N    . PHE Axp A 11  ? 29.207 29.78  100.899 1 65.098  ? 19  A 1 .
ATOM 177  C CA   . PHE Axp A 11  ? 29.995 28.657 100.416 1 70.76   ? 19  A 1 .
ATOM 178  C C    . PHE Axp A 11  ? 31.063 28.267 101.435 1 70.719  ? 19  A 1 .
ATOM 179  O O    . PHE Axp A 11  ? 31.6   29.13  102.119 1 70.061  ? 19  A 1 .
ATOM 180  C CB   . PHE Axp A 11  ? 30.67  28.983 99.085  1 67.097  ? 19  A 1 .
ATOM 181  C CG   . PHE Axp A 11  ? 29.739 29.639 98.081  1 65.268  ? 19  A 1 .
ATOM 182  C CD1  . PHE Axp A 11  ? 29.595 31.015 98.073  1 61.423  ? 19  A 1 .
ATOM 183  C CD2  . PHE Axp A 11  ? 29.019 28.892 97.153  1 72.028  ? 19  A 1 .
ATOM 184  C CE1  . PHE Axp A 11  ? 28.763 31.634 97.157  1 65.887  ? 19  A 1 .
ATOM 185  C CE2  . PHE Axp A 11  ? 28.197 29.522 96.223  1 74.874  ? 19  A 1 .
ATOM 186  C CZ   . PHE Axp A 11  ? 28.072 30.894 96.228  1 69.951  ? 19  A 1 .
ATOM 187  H H    . PHE Axp A 11  ? 29.611 30.595 100.991 1 65.249  ? 19  A 1 c
ATOM 188  H HA   . PHE Axp A 11  ? 29.39  27.885 100.279 1 68.83   ? 19  A 1 c
ATOM 189  H HB3  . PHE Axp A 11  ? 31.021 28.149 98.699  1 67.489  ? 19  A 1 c
ATOM 190  H HB2  . PHE Axp A 11  ? 31.43  29.583 99.256  1 67.503  ? 19  A 1 c
ATOM 191  H HD1  . PHE Axp A 11  ? 30.075 31.537 98.697  1 63.504  ? 19  A 1 c
ATOM 192  H HD2  . PHE Axp A 11  ? 29.114 27.953 97.135  1 70.806  ? 19  A 1 c
ATOM 193  H HE1  . PHE Axp A 11  ? 28.679 32.574 97.163  1 65.832  ? 19  A 1 c
ATOM 194  H HE2  . PHE Axp A 11  ? 27.713 29.006 95.598  1 72.843  ? 19  A 1 c
ATOM 195  H HZ   . PHE Axp A 11  ? 27.496 31.32  95.615  1 69.94   ? 19  A 1 c
ATOM 196  N N    . LEU Axp A 12  ? 31.378 26.962 101.497 1 67.67   ? 20  A 1 .
ATOM 197  C CA   . LEU Axp A 12  ? 32.524 26.457 102.239 1 63.324  ? 20  A 1 .
ATOM 198  C C    . LEU Axp A 12  ? 33.532 25.903 101.249 1 64.438  ? 20  A 1 .
ATOM 199  O O    . LEU Axp A 12  ? 33.156 25.109 100.38  1 63.57   ? 20  A 1 .
ATOM 200  C CB   . LEU Axp A 12  ? 32.096 25.356 103.192 1 63.162  ? 20  A 1 .
ATOM 201  C CG   . LEU Axp A 12  ? 33.125 24.896 104.23  1 69.348  ? 20  A 1 .
ATOM 202  C CD1  . LEU Axp A 12  ? 33.32  25.92  105.331 1 77.971  ? 20  A 1 .
ATOM 203  C CD2  . LEU Axp A 12  ? 32.69  23.581 104.874 1 72.609  ? 20  A 1 .
ATOM 204  H H    . LEU Axp A 12  ? 30.851 26.361 101.054 1 67.399  ? 20  A 1 c
ATOM 205  H HA   . LEU Axp A 12  ? 32.933 27.2   102.75  1 64.436  ? 20  A 1 c
ATOM 206  H HB3  . LEU Axp A 12  ? 31.827 24.575 102.656 1 64.621  ? 20  A 1 c
ATOM 207  H HB2  . LEU Axp A 12  ? 31.295 25.666 103.673 1 64.512  ? 20  A 1 c
ATOM 208  H HG   . LEU Axp A 12  ? 33.993 24.754 103.774 1 70.407  ? 20  A 1 c
ATOM 209  H HD11 . LEU Axp A 12  ? 33.7   26.732 104.956 1 75.22   ? 20  A 1 c
ATOM 210  H HD12 . LEU Axp A 12  ? 33.923 25.563 106.004 1 75.251  ? 20  A 1 c
ATOM 211  H HD13 . LEU Axp A 12  ? 32.463 26.124 105.741 1 75.281  ? 20  A 1 c
ATOM 212  H HD21 . LEU Axp A 12  ? 32.584 22.902 104.187 1 71.757  ? 20  A 1 c
ATOM 213  H HD22 . LEU Axp A 12  ? 31.843 23.709 105.335 1 71.668  ? 20  A 1 c
ATOM 214  H HD23 . LEU Axp A 12  ? 33.364 23.293 105.512 1 71.686  ? 20  A 1 c
ATOM 215  N N    . ILE Axp A 13  ? 34.79  26.333 101.401 1 62.202  ? 21  A 1 .
ATOM 216  C CA   . ILE Axp A 13  ? 35.861 25.829 100.558 1 70.126  ? 21  A 1 .
ATOM 217  C C    . ILE Axp A 13  ? 36.752 24.895 101.387 1 79.325  ? 21  A 1 .
ATOM 218  O O    . ILE Axp A 13  ? 37.498 25.385 102.225 1 86.967  ? 21  A 1 .
ATOM 219  C CB   . ILE Axp A 13  ? 36.655 26.998 99.95   1 64.956  ? 21  A 1 .
ATOM 220  C CG1  . ILE Axp A 13  ? 35.76  28.09  99.386  1 60.023  ? 21  A 1 .
ATOM 221  C CG2  . ILE Axp A 13  ? 37.632 26.502 98.894  1 71.616  ? 21  A 1 .
ATOM 222  C CD1  . ILE Axp A 13  ? 36.502 29.136 98.567  1 54.807  ? 21  A 1 .
ATOM 223  H H    . ILE Axp A 13  ? 34.986 26.954 102.043 1 64.437  ? 21  A 1 c
ATOM 224  H HA   . ILE Axp A 13  ? 35.468 25.317 99.828  1 69.097  ? 21  A 1 c
ATOM 225  H HB   . ILE Axp A 13  ? 37.177 27.392 100.663 1 66.522  ? 21  A 1 c
ATOM 226  H HG12 . ILE Axp A 13  ? 35.305 28.538 100.128 1 59.872  ? 21  A 1 c
ATOM 227  H HG13 . ILE Axp A 13  ? 35.076 27.675 98.822  1 59.863  ? 21  A 1 c
ATOM 228  H HG21 . ILE Axp A 13  ? 38.355 27.143 98.791  1 69.764  ? 21  A 1 c
ATOM 229  H HG22 . ILE Axp A 13  ? 37.169 26.401 98.047  1 69.585  ? 21  A 1 c
ATOM 230  H HG23 . ILE Axp A 13  ? 37.999 25.644 99.163  1 69.927  ? 21  A 1 c
ATOM 231  H HD11 . ILE Axp A 13  ? 37.373 29.312 98.969  1 56.457  ? 21  A 1 c
ATOM 232  H HD12 . ILE Axp A 13  ? 35.982 29.962 98.548  1 56.346  ? 21  A 1 c
ATOM 233  H HD13 . ILE Axp A 13  ? 36.626 28.812 97.654  1 56.395  ? 21  A 1 c
ATOM 234  N N    . THR Axp A 14  ? 36.704 23.569 101.134 1 80.804  ? 22  A 1 .
ATOM 235  C CA   . THR Axp A 14  ? 37.369 22.59  101.993 1 90.408  ? 22  A 1 .
ATOM 236  C C    . THR Axp A 14  ? 38.442 21.826 101.228 1 100.269 ? 22  A 1 .
ATOM 237  O O    . THR Axp A 14  ? 38.602 21.997 100.026 1 99.863  ? 22  A 1 .
ATOM 238  C CB   . THR Axp A 14  ? 36.4   21.586 102.629 1 92.715  ? 22  A 1 .
ATOM 239  O OG1  . THR Axp A 14  ? 35.605 20.971 101.618 1 80.447  ? 22  A 1 .
ATOM 240  C CG2  . THR Axp A 14  ? 35.533 22.218 103.696 1 101.967 ? 22  A 1 .
ATOM 241  H H    . THR Axp A 14  ? 36.243 23.27  100.403 1 82.292  ? 22  A 1 c
ATOM 242  H HA   . THR Axp A 14  ? 37.81  23.079 102.72  1 90.547  ? 22  A 1 c
ATOM 243  H HB   . THR Axp A 14  ? 36.923 20.881 103.079 1 91.75   ? 22  A 1 c
ATOM 244  H HG1  . THR Axp A 14  ? 35.205 21.381 101.166 0 67.84   ? 22  A 1 c
ATOM 245  H HG21 . THR Axp A 14  ? 35.194 21.528 104.291 1 98.955  ? 22  A 1 c
ATOM 246  H HG22 . THR Axp A 14  ? 34.786 22.676 103.276 1 98.48   ? 22  A 1 c
ATOM 247  H HG23 . THR Axp A 14  ? 36.058 22.857 104.208 1 98.869  ? 22  A 1 c
ATOM 248  N N    . HIS Axp A 15  ? 39.158 20.978 101.979 1 118.234 ? 23  A 1 .
ATOM 249  C CA   . HIS Axp A 15  ? 40.162 20.064 101.462 1 119.697 ? 23  A 1 .
ATOM 250  C C    . HIS Axp A 15  ? 39.495 18.726 101.163 1 113.885 ? 23  A 1 .
ATOM 251  O O    . HIS Axp A 15  ? 38.658 18.279 101.943 1 112.664 ? 23  A 1 .
ATOM 252  C CB   . HIS Axp A 15  ? 41.267 19.859 102.51  1 128.135 ? 23  A 1 .
ATOM 253  C CG   . HIS Axp A 15  ? 42.09  21.072 102.819 1 142.694 ? 23  A 1 .
ATOM 254  N ND1  . HIS Axp A 15  ? 42.7   21.841 101.848 1 155.478 ? 23  A 1 .
ATOM 255  C CD2  . HIS Axp A 15  ? 42.451 21.612 103.993 1 144.55  ? 23  A 1 .
ATOM 256  C CE1  . HIS Axp A 15  ? 43.381 22.827 102.419 1 153.611 ? 23  A 1 .
ATOM 257  N NE2  . HIS Axp A 15  ? 43.242 22.706 103.725 1 156.09  ? 23  A 1 .
ATOM 258  H H    . HIS Axp A 15  ? 39.02  20.987 102.883 1 113.641 ? 23  A 1 c
ATOM 259  H HA   . HIS Axp A 15  ? 40.545 20.427 100.626 1 119.526 ? 23  A 1 c
ATOM 260  H HB3  . HIS Axp A 15  ? 41.864 19.146 102.195 1 129.268 ? 23  A 1 c
ATOM 261  H HB2  . HIS Axp A 15  ? 40.852 19.541 103.341 1 129.251 ? 23  A 1 c
ATOM 262  H HD1  . HIS Axp A 15  ? 42.518 21.714 100.887 0 82.07   ? 23  A 1 c
ATOM 263  H HD2  . HIS Axp A 15  ? 42.201 21.314 104.846 1 146.629 ? 23  A 1 c
ATOM 264  H HE1  . HIS Axp A 15  ? 43.873 23.495 101.972 1 154.318 ? 23  A 1 c
ATOM 265  H HE2  . HIS Axp A 15  ? 43.531 23.409 104.145 0 82.07   ? 23  A 1 c
ATOM 266  N N    . ASN Axp A 16  ? 39.883 18.083 100.052 1 120.59  ? 24  A 1 .
ATOM 267  C CA   . ASN Axp A 16  ? 39.435 16.73  99.748  1 109.49  ? 24  A 1 .
ATOM 268  C C    . ASN Axp A 16  ? 39.777 15.833 100.934 1 99.33   ? 24  A 1 .
ATOM 269  O O    . ASN Axp A 16  ? 40.934 15.777 101.349 1 86.272  ? 24  A 1 .
ATOM 270  C CB   . ASN Axp A 16  ? 40.04  16.199 98.453  1 108.092 ? 24  A 1 .
ATOM 271  C CG   . ASN Axp A 16  ? 39.384 14.933 97.947  1 108.31  ? 24  A 1 .
ATOM 272  O OD1  . ASN Axp A 16  ? 38.521 14.351 98.61   1 99.663  ? 24  A 1 .
ATOM 273  N ND2  . ASN Axp A 16  ? 39.778 14.487 96.766  1 113.308 ? 24  A 1 .
ATOM 274  H H    . ASN Axp A 16  ? 40.446 18.502 99.465  1 116.33  ? 24  A 1 c
ATOM 275  H HA   . ASN Axp A 16  ? 38.46  16.754 99.632  1 109.247 ? 24  A 1 c
ATOM 276  H HB3  . ASN Axp A 16  ? 40.992 16.027 98.594  1 108.442 ? 24  A 1 c
ATOM 277  H HB2  . ASN Axp A 16  ? 39.958 16.889 97.765  1 108.625 ? 24  A 1 c
ATOM 278  H HD21 . ASN Axp A 16  ? 39.85  13.614 96.624  1 111.74  ? 24  A 1 c
ATOM 279  H HD22 . ASN Axp A 16  ? 39.97  15.061 96.117  1 111.721 ? 24  A 1 c
ATOM 280  N N    . PRO Axp A 17  ? 38.77  15.163 101.545 1 107.834 ? 25  A 1 .
ATOM 281  C CA   . PRO Axp A 17  ? 38.973 14.388 102.759 1 107.698 ? 25  A 1 .
ATOM 282  C C    . PRO Axp A 17  ? 39.726 13.101 102.46  1 139.719 ? 25  A 1 .
ATOM 283  O O    . PRO Axp A 17  ? 39.699 12.625 101.321 1 144.518 ? 25  A 1 .
ATOM 284  C CB   . PRO Axp A 17  ? 37.547 14.116 103.239 1 95.377  ? 25  A 1 .
ATOM 285  C CG   . PRO Axp A 17  ? 36.814 13.983 101.911 1 94.51   ? 25  A 1 .
ATOM 286  C CD   . PRO Axp A 17  ? 37.37  15.101 101.09  1 108.592 ? 25  A 1 .
ATOM 287  H HA   . PRO Axp A 17  ? 39.463 14.922 103.419 1 110.639 ? 25  A 1 c
ATOM 288  H HB3  . PRO Axp A 17  ? 37.201 14.863 103.765 1 97.733  ? 25  A 1 c
ATOM 289  H HB2  . PRO Axp A 17  ? 37.497 13.29  103.759 1 97.984  ? 25  A 1 c
ATOM 290  H HG3  . PRO Axp A 17  ? 35.849 14.083 102.029 1 97.712  ? 25  A 1 c
ATOM 291  H HG2  . PRO Axp A 17  ? 36.997 13.119 101.492 1 97.918  ? 25  A 1 c
ATOM 292  H HD3  . PRO Axp A 17  ? 37.316 14.904 100.142 1 105.152 ? 25  A 1 c
ATOM 293  H HD2  . PRO Axp A 17  ? 36.908 15.942 101.274 1 105.074 ? 25  A 1 c
ATOM 294  N N    . THR Axp A 18  ? 40.392 12.563 103.488 1 160.967 ? 26  A 1 .
ATOM 295  C CA   . THR Axp A 18  ? 41.045 11.271 103.374 1 138.321 ? 26  A 1 .
ATOM 296  C C    . THR Axp A 18  ? 39.972 10.194 103.502 1 132.35  ? 26  A 1 .
ATOM 297  O O    . THR Axp A 18  ? 38.876 10.419 104.032 1 128.949 ? 26  A 1 .
ATOM 298  C CB   . THR Axp A 18  ? 42.145 11.111 104.428 1 136.76  ? 26  A 1 .
ATOM 299  O OG1  . THR Axp A 18  ? 41.511 10.91  105.686 1 143.744 ? 26  A 1 .
ATOM 300  C CG2  . THR Axp A 18  ? 43.068 12.315 104.532 1 129.105 ? 26  A 1 .
ATOM 301  H H    . THR Axp A 18  ? 40.432 13.01  104.284 1 149.317 ? 26  A 1 c
ATOM 302  H HA   . THR Axp A 18  ? 41.455 11.206 102.484 1 141.012 ? 26  A 1 c
ATOM 303  H HB   . THR Axp A 18  ? 42.688 10.316 104.211 1 136.921 ? 26  A 1 c
ATOM 304  H HG1  . THR Axp A 18  ? 40.977 11.454 105.752 0 82.07   ? 26  A 1 c
ATOM 305  H HG21 . THR Axp A 18  ? 43.924 12.038 104.9   1 131.365 ? 26  A 1 c
ATOM 306  H HG22 . THR Axp A 18  ? 42.667 12.982 105.115 1 131.511 ? 26  A 1 c
ATOM 307  H HG23 . THR Axp A 18  ? 43.203 12.698 103.649 1 131.365 ? 26  A 1 c
ATOM 308  N N    . ASN Axp A 19  ? 40.341 9.002  103.042 1 135.448 ? 27  A 1 .
ATOM 309  C CA   . ASN Axp A 19  ? 39.497 7.824  103.138 1 136.893 ? 27  A 1 .
ATOM 310  C C    . ASN Axp A 19  ? 39.127 7.617  104.611 1 123.239 ? 27  A 1 .
ATOM 311  O O    . ASN Axp A 19  ? 38.051 7.108  104.928 1 97.549  ? 27  A 1 .
ATOM 312  C CB   . ASN Axp A 19  ? 40.214 6.654  102.469 1 133.743 ? 27  A 1 .
ATOM 313  C CG   . ASN Axp A 19  ? 40.993 7.106  101.249 1 135.42  ? 27  A 1 .
ATOM 314  O OD1  . ASN Axp A 19  ? 40.407 7.332  100.182 1 149.014 ? 27  A 1 .
ATOM 315  N ND2  . ASN Axp A 19  ? 42.303 7.274  101.382 1 112.777 ? 27  A 1 .
ATOM 316  H H    . ASN Axp A 19  ? 41.171 8.919  102.671 1 134.787 ? 27  A 1 c
ATOM 317  H HA   . ASN Axp A 19  ? 38.672 7.996  102.631 1 133.441 ? 27  A 1 c
ATOM 318  H HB3  . ASN Axp A 19  ? 39.555 5.983  102.201 1 134.784 ? 27  A 1 c
ATOM 319  H HB2  . ASN Axp A 19  ? 40.826 6.24   103.11  1 134.578 ? 27  A 1 c
ATOM 320  H HD21 . ASN Axp A 19  ? 42.793 7.494  100.677 1 119.598 ? 27  A 1 c
ATOM 321  H HD22 . ASN Axp A 19  ? 42.69  7.166  102.174 1 119.697 ? 27  A 1 c
ATOM 322  N N    . ALA Axp A 20  ? 40.024 8.077  105.498 1 128.838 ? 28  A 1 .
ATOM 323  C CA   . ALA Axp A 20  ? 39.961 7.819  106.927 1 127.732 ? 28  A 1 .
ATOM 324  C C    . ALA Axp A 20  ? 39.33  8.976  107.705 1 140.43  ? 28  A 1 .
ATOM 325  O O    . ALA Axp A 20  ? 38.925 8.762  108.844 1 150.882 ? 28  A 1 .
ATOM 326  C CB   . ALA Axp A 20  ? 41.358 7.53   107.434 1 118.196 ? 28  A 1 .
ATOM 327  H H    . ALA Axp A 20  ? 40.735 8.559  105.187 1 127.399 ? 28  A 1 c
ATOM 328  H HA   . ALA Axp A 20  ? 39.396 7.01   107.07  1 128.118 ? 28  A 1 c
ATOM 329  H HB3  . ALA Axp A 20  ? 41.334 7.384  108.395 1 121.052 ? 28  A 1 c
ATOM 330  H HB2  . ALA Axp A 20  ? 41.94  8.284  107.238 1 121.008 ? 28  A 1 c
ATOM 331  H HB1  . ALA Axp A 20  ? 41.706 6.734  106.997 1 120.976 ? 28  A 1 c
ATOM 332  N N    . THR Axp A 21  ? 39.265 10.187 107.121 1 151.195 ? 29  A 1 .
ATOM 333  C CA   . THR Axp A 21  ? 38.705 11.35  107.806 1 127.102 ? 29  A 1 .
ATOM 334  C C    . THR Axp A 21  ? 37.304 11.675 107.277 1 115.093 ? 29  A 1 .
ATOM 335  O O    . THR Axp A 21  ? 36.719 12.677 107.688 1 99.699  ? 29  A 1 .
ATOM 336  C CB   . THR Axp A 21  ? 39.644 12.558 107.689 1 105.781 ? 29  A 1 .
ATOM 337  O OG1  . THR Axp A 21  ? 39.749 12.942 106.316 1 96.088  ? 29  A 1 .
ATOM 338  C CG2  . THR Axp A 21  ? 41.008 12.292 108.303 1 89.586  ? 29  A 1 .
ATOM 339  H H    . THR Axp A 21  ? 39.585 10.293 106.272 1 142.164 ? 29  A 1 c
ATOM 340  H HA   . THR Axp A 21  ? 38.623 11.129 108.759 1 125.042 ? 29  A 1 c
ATOM 341  H HB   . THR Axp A 21  ? 39.242 13.307 108.191 1 104.063 ? 29  A 1 c
ATOM 342  H HG1  . THR Axp A 21  ? 40.061 12.203 105.746 0 68.73   ? 29  A 1 c
ATOM 343  H HG21 . THR Axp A 21  ? 41.698 12.68  107.739 1 94.432  ? 29  A 1 c
ATOM 344  H HG22 . THR Axp A 21  ? 41.153 11.334 108.377 1 94.6    ? 29  A 1 c
ATOM 345  H HG23 . THR Axp A 21  ? 41.049 12.694 109.186 1 94.261  ? 29  A 1 c
ATOM 346  N N    . LEU Axp A 22  ? 36.761 10.81  106.403 1 107.177 ? 30  A 1 .
ATOM 347  C CA   . LEU Axp A 22  ? 35.484 11.04  105.742 1 96.359  ? 30  A 1 .
ATOM 348  C C    . LEU Axp A 22  ? 34.313 11.043 106.732 1 101.23  ? 30  A 1 .
ATOM 349  O O    . LEU Axp A 22  ? 33.314 11.704 106.488 1 101.231 ? 30  A 1 .
ATOM 350  C CB   . LEU Axp A 22  ? 35.276 9.988  104.66  1 91.543  ? 30  A 1 .
ATOM 351  C CG   . LEU Axp A 22  ? 34.011 10.134 103.809 1 92.26   ? 30  A 1 .
ATOM 352  C CD1  . LEU Axp A 22  ? 34.064 11.443 103.059 1 99.109  ? 30  A 1 .
ATOM 353  C CD2  . LEU Axp A 22  ? 33.817 9.005  102.8   1 98.517  ? 30  A 1 .
ATOM 354  H H    . LEU Axp A 22  ? 37.208 10.037 106.214 1 107.134 ? 30  A 1 c
ATOM 355  H HA   . LEU Axp A 22  ? 35.524 11.933 105.316 1 98.344  ? 30  A 1 c
ATOM 356  H HB3  . LEU Axp A 22  ? 35.258 9.103  105.092 1 92.793  ? 30  A 1 c
ATOM 357  H HB2  . LEU Axp A 22  ? 36.057 10.007 104.06  1 92.815  ? 30  A 1 c
ATOM 358  H HG   . LEU Axp A 22  ? 33.224 10.149 104.412 1 94.581  ? 30  A 1 c
ATOM 359  H HD11 . LEU Axp A 22  ? 33.872 12.175 103.669 1 97.014  ? 30  A 1 c
ATOM 360  H HD12 . LEU Axp A 22  ? 33.403 11.436 102.346 1 97.015  ? 30  A 1 c
ATOM 361  H HD13 . LEU Axp A 22  ? 34.949 11.564 102.677 1 96.962  ? 30  A 1 c
ATOM 362  H HD21 . LEU Axp A 22  ? 33.874 8.148  103.256 1 96.662  ? 30  A 1 c
ATOM 363  H HD22 . LEU Axp A 22  ? 34.508 9.055  102.119 1 96.749  ? 30  A 1 c
ATOM 364  H HD23 . LEU Axp A 22  ? 32.944 9.089  102.381 1 96.663  ? 30  A 1 c
ATOM 365  N N    . ASN Axp A 23  ? 34.404 10.312 107.843 1 106.571 ? 31  A 1 .
ATOM 366  C CA   . ASN Axp A 23  ? 33.331 10.337 108.829 1 108.693 ? 31  A 1 .
ATOM 367  C C    . ASN Axp A 23  ? 33.213 11.715 109.485 1 97.247  ? 31  A 1 .
ATOM 368  O O    . ASN Axp A 23  ? 32.105 12.232 109.627 1 92.162  ? 31  A 1 .
ATOM 369  C CB   . ASN Axp A 23  ? 33.466 9.209  109.851 1 115.301 ? 31  A 1 .
ATOM 370  C CG   . ASN Axp A 23  ? 33.116 7.86   109.258 1 107.398 ? 31  A 1 .
ATOM 371  O OD1  . ASN Axp A 23  ? 32.057 7.692  108.641 1 88.98   ? 31  A 1 .
ATOM 372  N ND2  . ASN Axp A 23  ? 33.997 6.885  109.409 1 103.788 ? 31  A 1 .
ATOM 373  H H    . ASN Axp A 23  ? 35.136 9.786  107.991 1 105.787 ? 31  A 1 c
ATOM 374  H HA   . ASN Axp A 23  ? 32.489 10.177 108.346 1 106.979 ? 31  A 1 c
ATOM 375  H HB3  . ASN Axp A 23  ? 32.874 9.389  110.609 1 111.821 ? 31  A 1 c
ATOM 376  H HB2  . ASN Axp A 23  ? 34.385 9.185  110.184 1 111.78  ? 31  A 1 c
ATOM 377  H HD21 . ASN Axp A 23  ? 34.165 6.332  108.736 1 104.898 ? 31  A 1 c
ATOM 378  H HD22 . ASN Axp A 23  ? 34.418 6.786  110.183 1 104.938 ? 31  A 1 c
ATOM 379  N N    . LYS Axp A 24  ? 34.344 12.296 109.908 1 104.927 ? 32  A 1 .
ATOM 380  C CA   . LYS Axp A 24  ? 34.323 13.622 110.5   1 105.237 ? 32  A 1 .
ATOM 381  C C    . LYS Axp A 24  ? 33.999 14.66  109.432 1 95.51   ? 32  A 1 .
ATOM 382  O O    . LYS Axp A 24  ? 33.211 15.56  109.692 1 103.19  ? 32  A 1 .
ATOM 383  C CB   . LYS Axp A 24  ? 35.62  14.023 111.208 1 111.751 ? 32  A 1 .
ATOM 384  C CG   . LYS Axp A 24  ? 35.589 13.938 112.73  1 120.241 ? 32  A 1 .
ATOM 385  C CD   . LYS Axp A 24  ? 36.535 14.947 113.394 1 126.041 ? 32  A 1 .
ATOM 386  C CE   . LYS Axp A 24  ? 36.166 15.426 114.783 1 134.253 ? 32  A 1 .
ATOM 387  N NZ   . LYS Axp A 24  ? 36.055 14.339 115.762 1 139.522 ? 32  A 1 .
ATOM 388  H H    . LYS Axp A 24  ? 35.141 11.855 109.828 1 103.238 ? 32  A 1 c
ATOM 389  H HA   . LYS Axp A 24  ? 33.595 13.64  111.172 1 104.683 ? 32  A 1 c
ATOM 390  H HB3  . LYS Axp A 24  ? 35.841 14.944 110.954 1 112.154 ? 32  A 1 c
ATOM 391  H HB2  . LYS Axp A 24  ? 36.344 13.446 110.883 1 112.049 ? 32  A 1 c
ATOM 392  H HG3  . LYS Axp A 24  ? 35.844 13.029 113.002 1 119.485 ? 32  A 1 c
ATOM 393  H HG2  . LYS Axp A 24  ? 34.672 14.104 113.04  1 119.39  ? 32  A 1 c
ATOM 394  H HD3  . LYS Axp A 24  ? 36.608 15.732 112.808 1 126.321 ? 32  A 1 c
ATOM 395  H HD2  . LYS Axp A 24  ? 37.428 14.542 113.434 1 126.483 ? 32  A 1 c
ATOM 396  H HE3  . LYS Axp A 24  ? 35.314 15.897 114.742 1 133.562 ? 32  A 1 c
ATOM 397  H HE2  . LYS Axp A 24  ? 36.841 16.056 115.093 1 133.562 ? 32  A 1 c
ATOM 398  H HZ1  . LYS Axp A 24  ? 36.769 13.785 115.688 1 137.808 ? 32  A 1 c
ATOM 399  H HZ2  . LYS Axp A 24  ? 35.296 13.867 115.61  1 137.863 ? 32  A 1 c
ATOM 400  H HZ3  . LYS Axp A 24  ? 36.03  14.681 116.6   1 137.863 ? 32  A 1 c
ATOM 401  N N    . PHE Axp A 25  ? 34.611 14.541 108.251 1 82.505  ? 33  A 1 .
ATOM 402  C CA   . PHE Axp A 25  ? 34.309 15.452 107.155 1 89.169  ? 33  A 1 .
ATOM 403  C C    . PHE Axp A 25  ? 32.807 15.708 107.049 1 93.491  ? 33  A 1 .
ATOM 404  O O    . PHE Axp A 25  ? 32.375 16.862 107.022 1 115.105 ? 33  A 1 .
ATOM 405  C CB   . PHE Axp A 25  ? 34.731 14.916 105.79  1 82.167  ? 33  A 1 .
ATOM 406  C CG   . PHE Axp A 25  ? 34.634 15.906 104.638 1 75.18   ? 33  A 1 .
ATOM 407  C CD1  . PHE Axp A 25  ? 35.235 17.162 104.696 1 81.008  ? 33  A 1 .
ATOM 408  C CD2  . PHE Axp A 25  ? 33.967 15.554 103.478 1 79.358  ? 33  A 1 .
ATOM 409  C CE1  . PHE Axp A 25  ? 35.161 18.036 103.617 1 84.522  ? 33  A 1 .
ATOM 410  C CE2  . PHE Axp A 25  ? 33.915 16.418 102.395 1 84.291  ? 33  A 1 .
ATOM 411  C CZ   . PHE Axp A 25  ? 34.498 17.661 102.469 1 84.201  ? 33  A 1 .
ATOM 412  H H    . PHE Axp A 25  ? 35.234 13.884 108.124 1 87.162  ? 33  A 1 c
ATOM 413  H HA   . PHE Axp A 25  ? 34.772 16.315 107.321 1 87.207  ? 33  A 1 c
ATOM 414  H HB3  . PHE Axp A 25  ? 34.18  14.131 105.579 1 82.112  ? 33  A 1 c
ATOM 415  H HB2  . PHE Axp A 25  ? 35.662 14.607 105.858 1 82.05   ? 33  A 1 c
ATOM 416  H HD1  . PHE Axp A 25  ? 35.698 17.421 105.476 1 80.526  ? 33  A 1 c
ATOM 417  H HD2  . PHE Axp A 25  ? 33.573 14.699 103.411 1 79.594  ? 33  A 1 c
ATOM 418  H HE1  . PHE Axp A 25  ? 35.567 18.887 103.672 1 83.545  ? 33  A 1 c
ATOM 419  H HE2  . PHE Axp A 25  ? 33.446 16.165 101.616 1 83.042  ? 33  A 1 c
ATOM 420  H HZ   . PHE Axp A 25  ? 34.44  18.257 101.739 1 84.192  ? 33  A 1 c
ATOM 421  N N    . ILE Axp A 26  ? 32.033 14.621 106.966 1 86.278  ? 34  A 1 .
ATOM 422  C CA   . ILE Axp A 26  ? 30.584 14.689 106.98  1 78.99   ? 34  A 1 .
ATOM 423  C C    . ILE Axp A 26  ? 30.128 15.491 108.194 1 78.266  ? 34  A 1 .
ATOM 424  O O    . ILE Axp A 26  ? 29.492 16.523 108.074 1 87.816  ? 34  A 1 .
ATOM 425  C CB   . ILE Axp A 26  ? 29.97  13.282 107.037 1 85.836  ? 34  A 1 .
ATOM 426  C CG1  . ILE Axp A 26  ? 30.342 12.402 105.83  1 93.064  ? 34  A 1 .
ATOM 427  C CG2  . ILE Axp A 26  ? 28.463 13.385 107.241 1 83.878  ? 34  A 1 .
ATOM 428  C CD1  . ILE Axp A 26  ? 29.874 12.911 104.482 1 94.651  ? 34  A 1 .
ATOM 429  H H    . ILE Axp A 26  ? 32.431 13.8   106.918 1 86.225  ? 34  A 1 c
ATOM 430  H HA   . ILE Axp A 26  ? 30.28  15.139 106.168 1 81.581  ? 34  A 1 c
ATOM 431  H HB   . ILE Axp A 26  ? 30.336 12.841 107.827 1 85.541  ? 34  A 1 c
ATOM 432  H HG12 . ILE Axp A 26  ? 29.965 11.51  105.971 1 91.69   ? 34  A 1 c
ATOM 433  H HG13 . ILE Axp A 26  ? 31.314 12.308 105.801 1 91.726  ? 34  A 1 c
ATOM 434  H HG21 . ILE Axp A 26  ? 28.032 12.604 106.861 1 84.909  ? 34  A 1 c
ATOM 435  H HG22 . ILE Axp A 26  ? 28.125 14.184 106.802 1 84.489  ? 34  A 1 c
ATOM 436  H HG23 . ILE Axp A 26  ? 28.263 13.431 108.192 1 84.515  ? 34  A 1 c
ATOM 437  H HD11 . ILE Axp A 26  ? 29.351 13.728 104.592 1 93.918  ? 34  A 1 c
ATOM 438  H HD12 . ILE Axp A 26  ? 29.32  12.228 104.064 1 94.18   ? 34  A 1 c
ATOM 439  H HD13 . ILE Axp A 26  ? 30.647 13.095 103.917 1 94.122  ? 34  A 1 c
ATOM 440  N N    . GLU Axp A 27  ? 30.416 14.961 109.376 1 90.774  ? 35  A 1 .
ATOM 441  C CA   . GLU Axp A 27  ? 30.016 15.575 110.629 1 109.868 ? 35  A 1 .
ATOM 442  C C    . GLU Axp A 27  ? 30.253 17.088 110.633 1 96.54   ? 35  A 1 .
ATOM 443  O O    . GLU Axp A 27  ? 29.451 17.822 111.186 1 88.556  ? 35  A 1 .
ATOM 444  C CB   . GLU Axp A 27  ? 30.841 14.858 111.693 1 140.312 ? 35  A 1 .
ATOM 445  C CG   . GLU Axp A 27  ? 30.438 15.119 113.138 1 149.684 ? 35  A 1 .
ATOM 446  C CD   . GLU Axp A 27  ? 31.427 14.382 114.017 1 152.93  ? 35  A 1 .
ATOM 447  O OE1  . GLU Axp A 27  ? 31.648 13.173 113.756 1 147.884 ? 35  A 1 .
ATOM 448  O OE2  . GLU Axp A 27  ? 32.001 15.026 114.92  1 157.371 ? 35  A 1 .
ATOM 449  H H    . GLU Axp A 27  ? 30.899 14.186 109.406 1 91.907  ? 35  A 1 c
ATOM 450  H HA   . GLU Axp A 27  ? 29.052 15.396 110.777 1 108.105 ? 35  A 1 c
ATOM 451  H HB3  . GLU Axp A 27  ? 31.778 15.12  111.589 1 134.204 ? 35  A 1 c
ATOM 452  H HB2  . GLU Axp A 27  ? 30.783 13.893 111.533 1 134.017 ? 35  A 1 c
ATOM 453  H HG3  . GLU Axp A 27  ? 29.531 14.782 113.304 1 148.197 ? 35  A 1 c
ATOM 454  H HG2  . GLU Axp A 27  ? 30.473 16.08  113.333 1 148.009 ? 35  A 1 c
ATOM 455  N N    . GLU Axp A 28  ? 31.35  17.552 110.025 1 92.155  ? 36  A 1 .
ATOM 456  C CA   . GLU Axp A 28  ? 31.655 18.974 109.919 1 91.961  ? 36  A 1 .
ATOM 457  C C    . GLU Axp A 28  ? 30.766 19.647 108.862 1 89.99   ? 36  A 1 .
ATOM 458  O O    . GLU Axp A 28  ? 30.076 20.614 109.171 1 79.045  ? 36  A 1 .
ATOM 459  C CB   . GLU Axp A 28  ? 33.152 19.073 109.615 1 97.93   ? 36  A 1 .
ATOM 460  C CG   . GLU Axp A 28  ? 33.731 20.475 109.443 1 103.778 ? 36  A 1 .
ATOM 461  C CD   . GLU Axp A 28  ? 35.074 20.466 108.706 1 108.508 ? 36  A 1 .
ATOM 462  O OE1  . GLU Axp A 28  ? 35.096 20.305 107.458 1 102.741 ? 36  A 1 .
ATOM 463  O OE2  . GLU Axp A 28  ? 36.116 20.6   109.383 1 107.338 ? 36  A 1 .
ATOM 464  H H    . GLU Axp A 28  ? 31.944 16.953 109.672 1 93.201  ? 36  A 1 c
ATOM 465  H HA   . GLU Axp A 28  ? 31.48  19.399 110.798 1 92.606  ? 36  A 1 c
ATOM 466  H HB3  . GLU Axp A 28  ? 33.334 18.573 108.792 1 97.849  ? 36  A 1 c
ATOM 467  H HB2  . GLU Axp A 28  ? 33.644 18.633 110.34  1 97.837  ? 36  A 1 c
ATOM 468  H HG3  . GLU Axp A 28  ? 33.858 20.884 110.325 1 103.473 ? 36  A 1 c
ATOM 469  H HG2  . GLU Axp A 28  ? 33.099 21.03  108.939 1 103.398 ? 36  A 1 c
ATOM 470  N N    . LEU Axp A 29  ? 30.793 19.155 107.61  1 84.83   ? 37  A 1 .
ATOM 471  C CA   . LEU Axp A 29  ? 29.896 19.622 106.552 1 77.981  ? 37  A 1 .
ATOM 472  C C    . LEU Axp A 29  ? 28.471 19.809 107.072 1 80.281  ? 37  A 1 .
ATOM 473  O O    . LEU Axp A 29  ? 27.787 20.779 106.742 1 81.732  ? 37  A 1 .
ATOM 474  C CB   . LEU Axp A 29  ? 29.892 18.643 105.378 1 65.535  ? 37  A 1 .
ATOM 475  C CG   . LEU Axp A 29  ? 31.056 18.777 104.389 1 73.398  ? 37  A 1 .
ATOM 476  C CD1  . LEU Axp A 29  ? 30.711 18.088 103.067 1 74.819  ? 37  A 1 .
ATOM 477  C CD2  . LEU Axp A 29  ? 31.508 20.218 104.132 1 74.156  ? 37  A 1 .
ATOM 478  H H    . LEU Axp A 29  ? 31.398 18.5   107.41  1 84.366  ? 37  A 1 c
ATOM 479  H HA   . LEU Axp A 29  ? 30.223 20.502 106.241 1 77.153  ? 37  A 1 c
ATOM 480  H HB3  . LEU Axp A 29  ? 29.046 18.741 104.888 1 70.128  ? 37  A 1 c
ATOM 481  H HB2  . LEU Axp A 29  ? 29.904 17.729 105.744 1 70.163  ? 37  A 1 c
ATOM 482  H HG   . LEU Axp A 29  ? 31.832 18.294 104.775 1 72.438  ? 37  A 1 c
ATOM 483  H HD11 . LEU Axp A 29  ? 30.316 17.218 103.248 1 74.351  ? 37  A 1 c
ATOM 484  H HD12 . LEU Axp A 29  ? 31.519 17.972 102.541 1 74.426  ? 37  A 1 c
ATOM 485  H HD13 . LEU Axp A 29  ? 30.078 18.634 102.571 1 74.378  ? 37  A 1 c
ATOM 486  H HD21 . LEU Axp A 29  ? 32.065 20.521 104.869 1 73.982  ? 37  A 1 c
ATOM 487  H HD22 . LEU Axp A 29  ? 30.731 20.796 104.056 1 73.97   ? 37  A 1 c
ATOM 488  H HD23 . LEU Axp A 29  ? 32.02  20.256 103.306 1 73.954  ? 37  A 1 c
ATOM 489  N N    . LYS Axp A 30  ? 28.025 18.826 107.851 1 85.671  ? 38  A 1 .
ATOM 490  C CA   . LYS Axp A 30  ? 26.7   18.835 108.433 1 86.149  ? 38  A 1 .
ATOM 491  C C    . LYS Axp A 30  ? 26.595 20.071 109.315 1 72.804  ? 38  A 1 .
ATOM 492  O O    . LYS Axp A 30  ? 25.585 20.751 109.273 1 88.966  ? 38  A 1 .
ATOM 493  C CB   . LYS Axp A 30  ? 26.538 17.501 109.168 1 105.134 ? 38  A 1 .
ATOM 494  C CG   . LYS Axp A 30  ? 25.244 17.215 109.905 1 118.751 ? 38  A 1 .
ATOM 495  C CD   . LYS Axp A 30  ? 24.136 16.763 108.973 1 131.607 ? 38  A 1 .
ATOM 496  C CE   . LYS Axp A 30  ? 23.123 15.914 109.717 1 133.533 ? 38  A 1 .
ATOM 497  N NZ   . LYS Axp A 30  ? 22.133 15.307 108.826 1 139.219 ? 38  A 1 .
ATOM 498  H H    . LYS Axp A 30  ? 28.568 18.109 108.014 1 84.843  ? 38  A 1 c
ATOM 499  H HA   . LYS Axp A 30  ? 26.033 18.898 107.703 1 86.515  ? 38  A 1 c
ATOM 500  H HB3  . LYS Axp A 30  ? 27.268 17.434 109.82  1 103.128 ? 38  A 1 c
ATOM 501  H HB2  . LYS Axp A 30  ? 26.673 16.784 108.514 1 103.439 ? 38  A 1 c
ATOM 502  H HG3  . LYS Axp A 30  ? 24.959 18.029 110.375 1 117.985 ? 38  A 1 c
ATOM 503  H HG2  . LYS Axp A 30  ? 25.411 16.517 110.575 1 118.352 ? 38  A 1 c
ATOM 504  H HD3  . LYS Axp A 30  ? 24.517 16.24  108.235 1 128.638 ? 38  A 1 c
ATOM 505  H HD2  . LYS Axp A 30  ? 23.685 17.551 108.597 1 128.919 ? 38  A 1 c
ATOM 506  H HE3  . LYS Axp A 30  ? 22.66  16.467 110.372 1 134.4   ? 38  A 1 c
ATOM 507  H HE2  . LYS Axp A 30  ? 23.587 15.204 110.197 1 134.307 ? 38  A 1 c
ATOM 508  H HZ1  . LYS Axp A 30  ? 22.545 14.747 108.245 1 137.444 ? 38  A 1 c
ATOM 509  H HZ2  . LYS Axp A 30  ? 21.704 15.956 108.361 1 137.444 ? 38  A 1 c
ATOM 510  H HZ3  . LYS Axp A 30  ? 21.528 14.84  109.313 1 137.444 ? 38  A 1 c
ATOM 511  N N    . LYS Axp A 31  ? 27.659 20.371 110.07  1 76.248  ? 39  A 1 .
ATOM 512  C CA   . LYS Axp A 31  ? 27.665 21.461 111.037 1 88.369  ? 39  A 1 .
ATOM 513  C C    . LYS Axp A 31  ? 27.517 22.803 110.32  1 86.987  ? 39  A 1 .
ATOM 514  O O    . LYS Axp A 31  ? 26.691 23.617 110.704 1 87.859  ? 39  A 1 .
ATOM 515  C CB   . LYS Axp A 31  ? 28.95  21.476 111.881 1 98.379  ? 39  A 1 .
ATOM 516  C CG   . LYS Axp A 31  ? 29.127 20.362 112.899 1 99.001  ? 39  A 1 .
ATOM 517  C CD   . LYS Axp A 31  ? 28.069 20.428 113.997 1 106.951 ? 39  A 1 .
ATOM 518  C CE   . LYS Axp A 31  ? 28.34  19.521 115.146 1 103.511 ? 39  A 1 .
ATOM 519  N NZ   . LYS Axp A 31  ? 29.314 20.163 116.029 1 104.37  ? 39  A 1 .
ATOM 520  H H    . LYS Axp A 31  ? 28.411 19.859 109.994 1 78.281  ? 39  A 1 c
ATOM 521  H HA   . LYS Axp A 31  ? 26.888 21.343 111.64  1 87.469  ? 39  A 1 c
ATOM 522  H HB3  . LYS Axp A 31  ? 28.978 22.328 112.365 1 96.118  ? 39  A 1 c
ATOM 523  H HB2  . LYS Axp A 31  ? 29.721 21.461 111.276 1 96.026  ? 39  A 1 c
ATOM 524  H HG3  . LYS Axp A 31  ? 30.02  20.434 113.3   1 100.605 ? 39  A 1 c
ATOM 525  H HG2  . LYS Axp A 31  ? 29.062 19.5   112.441 1 100.505 ? 39  A 1 c
ATOM 526  H HD3  . LYS Axp A 31  ? 27.197 20.195 113.609 1 104.163 ? 39  A 1 c
ATOM 527  H HD2  . LYS Axp A 31  ? 28.011 21.352 114.325 1 104.223 ? 39  A 1 c
ATOM 528  H HE3  . LYS Axp A 31  ? 28.699 18.674 114.828 1 104.46  ? 39  A 1 c
ATOM 529  H HE2  . LYS Axp A 31  ? 27.519 19.349 115.64  1 104.485 ? 39  A 1 c
ATOM 530  H HZ1  . LYS Axp A 31  ? 28.969 20.931 116.363 1 104.113 ? 39  A 1 c
ATOM 531  H HZ2  . LYS Axp A 31  ? 30.074 20.35  115.575 1 104.074 ? 39  A 1 c
ATOM 532  H HZ3  . LYS Axp A 31  ? 29.511 19.606 116.716 1 104.101 ? 39  A 1 c
ATOM 533  N N    . TYR Axp A 32  ? 28.315 23.02  109.266 1 78.643  ? 40  A 1 .
ATOM 534  C CA   . TYR Axp A 32  ? 28.205 24.213 108.445 1 71.973  ? 40  A 1 .
ATOM 535  C C    . TYR Axp A 32  ? 26.892 24.244 107.657 1 79.166  ? 40  A 1 .
ATOM 536  O O    . TYR Axp A 32  ? 26.629 25.194 106.928 1 85.695  ? 40  A 1 .
ATOM 537  C CB   . TYR Axp A 32  ? 29.405 24.225 107.497 1 69.723  ? 40  A 1 .
ATOM 538  C CG   . TYR Axp A 32  ? 30.688 24.687 108.163 1 71.05   ? 40  A 1 .
ATOM 539  C CD1  . TYR Axp A 32  ? 30.894 26.024 108.462 1 77.372  ? 40  A 1 .
ATOM 540  C CD2  . TYR Axp A 32  ? 31.694 23.798 108.479 1 79.09   ? 40  A 1 .
ATOM 541  C CE1  . TYR Axp A 32  ? 32.059 26.462 109.064 1 77.695  ? 40  A 1 .
ATOM 542  C CE2  . TYR Axp A 32  ? 32.869 24.22  109.082 1 80.182  ? 40  A 1 .
ATOM 543  C CZ   . TYR Axp A 32  ? 33.056 25.558 109.368 1 76.409  ? 40  A 1 .
ATOM 544  O OH   . TYR Axp A 32  ? 34.211 25.996 109.94  1 75.308  ? 40  A 1 .
ATOM 545  H H    . TYR Axp A 32  ? 28.955 22.401 109.059 1 78.857  ? 40  A 1 c
ATOM 546  H HA   . TYR Axp A 32  ? 28.25  25.014 109.033 1 74.134  ? 40  A 1 c
ATOM 547  H HB3  . TYR Axp A 32  ? 29.205 24.823 106.742 1 70.687  ? 40  A 1 c
ATOM 548  H HB2  . TYR Axp A 32  ? 29.536 23.319 107.14  1 70.742  ? 40  A 1 c
ATOM 549  H HD1  . TYR Axp A 32  ? 30.221 26.652 108.254 1 75.935  ? 40  A 1 c
ATOM 550  H HD2  . TYR Axp A 32  ? 31.581 22.882 108.283 1 77.283  ? 40  A 1 c
ATOM 551  H HE1  . TYR Axp A 32  ? 32.18  27.377 109.252 1 77.273  ? 40  A 1 c
ATOM 552  H HE2  . TYR Axp A 32  ? 33.547 23.598 109.283 1 78.922  ? 40  A 1 c
ATOM 553  H HH   . TYR Axp A 32  ? 34.048 26.796 110.111 0 60.9    ? 40  A 1 c
ATOM 554  N N    . GLY Axp A 33  ? 26.097 23.175 107.747 1 86.252  ? 41  A 1 .
ATOM 555  C CA   . GLY Axp A 33  ? 24.773 23.135 107.153 1 75.845  ? 41  A 1 .
ATOM 556  C C    . GLY Axp A 33  ? 24.831 23.019 105.63  1 71.488  ? 41  A 1 .
ATOM 557  O O    . GLY Axp A 33  ? 23.949 23.539 104.951 1 61.354  ? 41  A 1 .
ATOM 558  H H    . GLY Axp A 33  ? 26.401 22.427 108.171 1 81.953  ? 41  A 1 c
ATOM 559  H HA3  . GLY Axp A 33  ? 24.284 23.955 107.401 1 77.251  ? 41  A 1 c
ATOM 560  H HA2  . GLY Axp A 33  ? 24.279 22.366 107.521 1 77.254  ? 41  A 1 c
ATOM 561  N N    . VAL Axp A 34  ? 25.842 22.309 105.105 1 67.478  ? 42  A 1 .
ATOM 562  C CA   . VAL Axp A 34  ? 25.96  22.117 103.667 1 69.327  ? 42  A 1 .
ATOM 563  C C    . VAL Axp A 34  ? 24.977 21.042 103.212 1 62.871  ? 42  A 1 .
ATOM 564  O O    . VAL Axp A 34  ? 24.809 20.031 103.876 1 66.818  ? 42  A 1 .
ATOM 565  C CB   . VAL Axp A 34  ? 27.394 21.754 103.251 1 66.539  ? 42  A 1 .
ATOM 566  C CG1  . VAL Axp A 34  ? 28.423 22.664 103.902 1 61.58   ? 42  A 1 .
ATOM 567  C CG2  . VAL Axp A 34  ? 27.708 20.311 103.577 1 74.54   ? 42  A 1 .
ATOM 568  H H    . VAL Axp A 34  ? 26.462 21.927 105.656 1 68.948  ? 42  A 1 c
ATOM 569  H HA   . VAL Axp A 34  ? 25.722 22.953 103.234 1 67.263  ? 42  A 1 c
ATOM 570  H HB   . VAL Axp A 34  ? 27.454 21.87  102.274 1 67.508  ? 42  A 1 c
ATOM 571  H HG11 . VAL Axp A 34  ? 28.808 22.221 104.677 1 63.221  ? 42  A 1 c
ATOM 572  H HG12 . VAL Axp A 34  ? 27.998 23.49  104.182 1 63.064  ? 42  A 1 c
ATOM 573  H HG13 . VAL Axp A 34  ? 29.127 22.866 103.263 1 63.073  ? 42  A 1 c
ATOM 574  H HG21 . VAL Axp A 34  ? 28.669 20.182 103.562 1 71.905  ? 42  A 1 c
ATOM 575  H HG22 . VAL Axp A 34  ? 27.298 19.73  102.914 1 71.954  ? 42  A 1 c
ATOM 576  H HG23 . VAL Axp A 34  ? 27.363 20.091 104.456 1 72.01   ? 42  A 1 c
ATOM 577  N N    . THR Axp A 35  ? 24.305 21.274 102.088 1 67.719  ? 43  A 1 .
ATOM 578  C CA   . THR Axp A 35  ? 23.368 20.295 101.556 1 77.591  ? 43  A 1 .
ATOM 579  C C    . THR Axp A 35  ? 23.873 19.793 100.215 1 77.973  ? 43  A 1 .
ATOM 580  O O    . THR Axp A 35  ? 23.234 18.942 99.599  1 79.821  ? 43  A 1 .
ATOM 581  C CB   . THR Axp A 35  ? 21.971 20.894 101.393 1 76.012  ? 43  A 1 .
ATOM 582  O OG1  . THR Axp A 35  ? 22.138 22.034 100.541 1 83.936  ? 43  A 1 .
ATOM 583  C CG2  . THR Axp A 35  ? 21.337 21.185 102.743 1 70.502  ? 43  A 1 .
ATOM 584  H H    . THR Axp A 35  ? 24.406 22.073 101.655 1 68.631  ? 43  A 1 c
ATOM 585  H HA   . THR Axp A 35  ? 23.314 19.537 102.177 1 75.187  ? 43  A 1 c
ATOM 586  H HB   . THR Axp A 35  ? 21.397 20.237 100.932 1 76.723  ? 43  A 1 c
ATOM 587  H HG1  . THR Axp A 35  ? 22.67  22.705 100.981 0 67.45   ? 43  A 1 c
ATOM 588  H HG21 . THR Axp A 35  ? 21.142 22.134 102.812 1 72.091  ? 43  A 1 c
ATOM 589  H HG22 . THR Axp A 35  ? 21.95  20.93  103.453 1 72.117  ? 43  A 1 c
ATOM 590  H HG23 . THR Axp A 35  ? 20.514 20.676 102.831 1 72.091  ? 43  A 1 c
ATOM 591  N N    . THR Axp A 36  ? 24.982 20.371 99.754  1 70.674  ? 44  A 1 .
ATOM 592  C CA   . THR Axp A 36  ? 25.492 20.054 98.438  1 66.431  ? 44  A 1 .
ATOM 593  C C    . THR Axp A 36  ? 26.998 20.225 98.476  1 77.138  ? 44  A 1 .
ATOM 594  O O    . THR Axp A 36  ? 27.535 21.083 99.182  1 67.478  ? 44  A 1 .
ATOM 595  C CB   . THR Axp A 36  ? 24.862 20.916 97.347  1 58.865  ? 44  A 1 .
ATOM 596  O OG1  . THR Axp A 36  ? 23.508 20.514 97.19   1 54.011  ? 44  A 1 .
ATOM 597  C CG2  . THR Axp A 36  ? 25.51  20.679 95.998  1 57.82   ? 44  A 1 .
ATOM 598  H H    . THR Axp A 36  ? 25.44  20.969 100.271 1 71.354  ? 44  A 1 c
ATOM 599  H HA   . THR Axp A 36  ? 25.287 19.115 98.247  1 68.086  ? 44  A 1 c
ATOM 600  H HB   . THR Axp A 36  ? 24.904 21.872 97.589  1 58.959  ? 44  A 1 c
ATOM 601  H HG1  . THR Axp A 36  ? 23.435 19.81  96.951  0 27.98   ? 44  A 1 c
ATOM 602  H HG21 . THR Axp A 36  ? 24.91  20.977 95.295  1 58.454  ? 44  A 1 c
ATOM 603  H HG22 . THR Axp A 36  ? 25.692 19.731 95.886  1 58.623  ? 44  A 1 c
ATOM 604  H HG23 . THR Axp A 36  ? 26.343 21.177 95.944  1 58.36   ? 44  A 1 c
ATOM 605  N N    . ILE Axp A 37  ? 27.656 19.367 97.7    1 89.083  ? 45  A 1 .
ATOM 606  C CA   . ILE Axp A 37  ? 29.096 19.409 97.6    1 91.494  ? 45  A 1 .
ATOM 607  C C    . ILE Axp A 37  ? 29.46  19.196 96.143  1 75.87   ? 45  A 1 .
ATOM 608  O O    . ILE Axp A 37  ? 29.01  18.243 95.527  1 70.051  ? 45  A 1 .
ATOM 609  C CB   . ILE Axp A 37  ? 29.736 18.378 98.535  1 93.027  ? 45  A 1 .
ATOM 610  C CG1  . ILE Axp A 37  ? 31.242 18.339 98.327  1 103.581 ? 45  A 1 .
ATOM 611  C CG2  . ILE Axp A 37  ? 29.08  17.006 98.36   1 99.082  ? 45  A 1 .
ATOM 612  C CD1  . ILE Axp A 37  ? 32.003 17.746 99.501  1 122.355 ? 45  A 1 .
ATOM 613  H H    . ILE Axp A 37  ? 27.196 18.739 97.221  1 85.86   ? 45  A 1 c
ATOM 614  H HA   . ILE Axp A 37  ? 29.398 20.295 97.871  1 87.4    ? 45  A 1 c
ATOM 615  H HB   . ILE Axp A 37  ? 29.574 18.671 99.454  1 95.748  ? 45  A 1 c
ATOM 616  H HG12 . ILE Axp A 37  ? 31.564 19.25  98.17   1 104.739 ? 45  A 1 c
ATOM 617  H HG13 . ILE Axp A 37  ? 31.437 17.809 97.527  1 104.794 ? 45  A 1 c
ATOM 618  H HG21 . ILE Axp A 37  ? 29.463 16.38  98.997  1 97.037  ? 45  A 1 c
ATOM 619  H HG22 . ILE Axp A 37  ? 29.235 16.682 97.461  1 95.918  ? 45  A 1 c
ATOM 620  H HG23 . ILE Axp A 37  ? 28.124 17.076 98.519  1 96.847  ? 45  A 1 c
ATOM 621  H HD11 . ILE Axp A 37  ? 32.296 18.464 100.094 1 116.285 ? 45  A 1 c
ATOM 622  H HD12 . ILE Axp A 37  ? 32.782 17.261 99.171  1 115.947 ? 45  A 1 c
ATOM 623  H HD13 . ILE Axp A 37  ? 31.427 17.133 99.996  1 115.999 ? 45  A 1 c
ATOM 624  N N    . VAL Axp A 38  ? 30.215 20.151 95.612  1 70.21   ? 46  A 1 .
ATOM 625  C CA   . VAL Axp A 38  ? 30.598 20.132 94.224  1 69.685  ? 46  A 1 .
ATOM 626  C C    . VAL Axp A 38  ? 32.084 19.841 94.188  1 76.271  ? 46  A 1 .
ATOM 627  O O    . VAL Axp A 38  ? 32.854 20.567 94.816  1 82.618  ? 46  A 1 .
ATOM 628  C CB   . VAL Axp A 38  ? 30.273 21.466 93.538  1 66.249  ? 46  A 1 .
ATOM 629  C CG1  . VAL Axp A 38  ? 30.951 21.593 92.18   1 60.773  ? 46  A 1 .
ATOM 630  C CG2  . VAL Axp A 38  ? 28.771 21.666 93.411  1 66.909  ? 46  A 1 .
ATOM 631  H H    . VAL Axp A 38  ? 30.503 20.842 96.136  1 71.656  ? 46  A 1 c
ATOM 632  H HA   . VAL Axp A 38  ? 30.117 19.417 93.769  1 70.48   ? 46  A 1 c
ATOM 633  H HB   . VAL Axp A 38  ? 30.624 22.183 94.118  1 65.929  ? 46  A 1 c
ATOM 634  H HG11 . VAL Axp A 38  ? 30.955 20.728 91.735  1 62.459  ? 46  A 1 c
ATOM 635  H HG12 . VAL Axp A 38  ? 31.866 21.899 92.299  1 62.43   ? 46  A 1 c
ATOM 636  H HG13 . VAL Axp A 38  ? 30.466 22.234 91.633  1 62.403  ? 46  A 1 c
ATOM 637  H HG21 . VAL Axp A 38  ? 28.573 22.617 93.363  1 66.8    ? 46  A 1 c
ATOM 638  H HG22 . VAL Axp A 38  ? 28.323 21.282 94.183  1 66.827  ? 46  A 1 c
ATOM 639  H HG23 . VAL Axp A 38  ? 28.453 21.23  92.603  1 67.052  ? 46  A 1 c
ATOM 640  N N    . ARG Axp A 39  ? 32.446 18.789 93.442  1 80.318  ? 47  A 1 .
ATOM 641  C CA   . ARG Axp A 39  ? 33.834 18.394 93.278  1 86.556  ? 47  A 1 .
ATOM 642  C C    . ARG Axp A 39  ? 34.293 18.831 91.893  1 86.208  ? 47  A 1 .
ATOM 643  O O    . ARG Axp A 39  ? 33.866 18.249 90.896  1 86.08   ? 47  A 1 .
ATOM 644  C CB   . ARG Axp A 39  ? 34.001 16.886 93.501  1 95.959  ? 47  A 1 .
ATOM 645  C CG   . ARG Axp A 39  ? 33.45  16.415 94.842  1 104.804 ? 47  A 1 .
ATOM 646  C CD   . ARG Axp A 39  ? 33.917 15.034 95.279  1 102.85  ? 47  A 1 .
ATOM 647  N NE   . ARG Axp A 39  ? 33.433 13.976 94.391  1 110.586 ? 47  A 1 .
ATOM 648  C CZ   . ARG Axp A 39  ? 33.383 12.69  94.713  1 109.615 ? 47  A 1 .
ATOM 649  N NH1  . ARG Axp A 39  ? 33.788 12.275 95.907  1 103.275 ? 47  A 1 .
ATOM 650  N NH2  . ARG Axp A 39  ? 32.912 11.823 93.833  1 103.845 ? 47  A 1 .
ATOM 651  H H    . ARG Axp A 39  ? 31.801 18.299 93.019  1 80.508  ? 47  A 1 c
ATOM 652  H HA   . ARG Axp A 39  ? 34.378 18.868 93.957  1 86.851  ? 47  A 1 c
ATOM 653  H HB3  . ARG Axp A 39  ? 34.954 16.66  93.451  1 95.672  ? 47  A 1 c
ATOM 654  H HB2  . ARG Axp A 39  ? 33.54  16.407 92.782  1 95.763  ? 47  A 1 c
ATOM 655  H HG3  . ARG Axp A 39  ? 32.469 16.413 94.796  1 102.152 ? 47  A 1 c
ATOM 656  H HG2  . ARG Axp A 39  ? 33.704 17.065 95.533  1 102.235 ? 47  A 1 c
ATOM 657  H HD3  . ARG Axp A 39  ? 33.595 14.864 96.186  1 105.063 ? 47  A 1 c
ATOM 658  H HD2  . ARG Axp A 39  ? 34.895 15.014 95.297  1 104.973 ? 47  A 1 c
ATOM 659  H HE   . ARG Axp A 39  ? 33.158 14.205 93.598  1 108.178 ? 47  A 1 c
ATOM 660  H HH11 . ARG Axp A 39  ? 34.651 12.171 96.068  1 105.316 ? 47  A 1 c
ATOM 661  H HH12 . ARG Axp A 39  ? 33.192 12.104 96.536  1 105.243 ? 47  A 1 c
ATOM 662  H HH21 . ARG Axp A 39  ? 32.808 12.058 92.988  1 105.614 ? 47  A 1 c
ATOM 663  H HH22 . ARG Axp A 39  ? 32.701 11.006 94.096  1 105.577 ? 47  A 1 c
ATOM 664  N N    . VAL Axp A 40  ? 35.18  19.839 91.854  1 85.508  ? 48  A 1 .
ATOM 665  C CA   . VAL Axp A 40  ? 35.693 20.396 90.604  1 88.979  ? 48  A 1 .
ATOM 666  C C    . VAL Axp A 40  ? 36.989 19.707 90.171  1 106.297 ? 48  A 1 .
ATOM 667  O O    . VAL Axp A 40  ? 37.622 20.135 89.201  1 97.377  ? 48  A 1 .
ATOM 668  C CB   . VAL Axp A 40  ? 35.935 21.906 90.758  1 85.13   ? 48  A 1 .
ATOM 669  C CG1  . VAL Axp A 40  ? 34.663 22.628 91.186  1 91.912  ? 48  A 1 .
ATOM 670  C CG2  . VAL Axp A 40  ? 37.095 22.225 91.702  1 73.705  ? 48  A 1 .
ATOM 671  H H    . VAL Axp A 40  ? 35.474 20.195 92.642  1 86.277  ? 48  A 1 c
ATOM 672  H HA   . VAL Axp A 40  ? 35.024 20.261 89.909  1 90.475  ? 48  A 1 c
ATOM 673  H HB   . VAL Axp A 40  ? 36.182 22.247 89.869  1 85.161  ? 48  A 1 c
ATOM 674  H HG11 . VAL Axp A 40  ? 34.503 22.47  92.132  1 89.879  ? 48  A 1 c
ATOM 675  H HG12 . VAL Axp A 40  ? 33.91  22.293 90.671  1 89.896  ? 48  A 1 c
ATOM 676  H HG13 . VAL Axp A 40  ? 34.762 23.582 91.03   1 90.033  ? 48  A 1 c
ATOM 677  H HG21 . VAL Axp A 40  ? 36.94  23.085 92.127  1 77.077  ? 48  A 1 c
ATOM 678  H HG22 . VAL Axp A 40  ? 37.924 22.261 91.196  1 77.101  ? 48  A 1 c
ATOM 679  H HG23 . VAL Axp A 40  ? 37.163 21.537 92.383  1 77.235  ? 48  A 1 c
ATOM 680  N N    . CYS Axp A 41  ? 37.376 18.65  90.903  1 118.488 ? 49  A 1 .
ATOM 681  C CA   . CYS Axp A 41  ? 38.636 17.942 90.728  1 101.368 ? 49  A 1 .
ATOM 682  C C    . CYS Axp A 41  ? 38.321 16.449 90.728  1 105.466 ? 49  A 1 .
ATOM 683  O O    . CYS Axp A 41  ? 37.154 16.074 90.688  1 104.319 ? 49  A 1 .
ATOM 684  C CB   . CYS Axp A 41  ? 39.635 18.402 91.793  1 104.845 ? 49  A 1 .
ATOM 685  S SG   . CYS Axp A 41  ? 40.351 20.03  91.407  1 99.878  ? 49  A 1 .
ATOM 686  H H    . CYS Axp A 41  ? 36.815 18.353 91.559  1 110.794 ? 49  A 1 c
ATOM 687  H HA   . CYS Axp A 41  ? 39     18.18  89.837  1 105.841 ? 49  A 1 c
ATOM 688  H HB3  . CYS Axp A 41  ? 40.364 17.748 91.866  1 103.39  ? 49  A 1 c
ATOM 689  H HB2  . CYS Axp A 41  ? 39.18  18.451 92.66   1 103.215 ? 49  A 1 c
ATOM 690  N N    . GLU Axp A 42  ? 39.355 15.6   90.761  1 131.348 ? 50  A 1 .
ATOM 691  C CA   . GLU Axp A 42  ? 39.179 14.153 90.725  1 131.017 ? 50  A 1 .
ATOM 692  C C    . GLU Axp A 42  ? 38.454 13.669 91.982  1 113.423 ? 50  A 1 .
ATOM 693  O O    . GLU Axp A 42  ? 38.6   14.245 93.051  1 122.688 ? 50  A 1 .
ATOM 694  C CB   . GLU Axp A 42  ? 40.529 13.452 90.577  1 129.631 ? 50  A 1 .
ATOM 695  C CG   . GLU Axp A 42  ? 41.011 13.355 89.133  1 126.448 ? 50  A 1 .
ATOM 696  C CD   . GLU Axp A 42  ? 42.418 12.79  89.038  1 128.15  ? 50  A 1 .
ATOM 697  O OE1  . GLU Axp A 42  ? 42.77  11.927 89.872  1 117.835 ? 50  A 1 .
ATOM 698  O OE2  . GLU Axp A 42  ? 43.161 13.194 88.119  1 123.963 ? 50  A 1 .
ATOM 699  H H    . GLU Axp A 42  ? 40.205 15.936 90.792  1 124.122 ? 50  A 1 c
ATOM 700  H HA   . GLU Axp A 42  ? 38.622 13.932 89.936  1 127.111 ? 50  A 1 c
ATOM 701  H HB3  . GLU Axp A 42  ? 40.456 12.547 90.946  1 129.042 ? 50  A 1 c
ATOM 702  H HB2  . GLU Axp A 42  ? 41.198 13.936 91.106  1 129.143 ? 50  A 1 c
ATOM 703  H HG3  . GLU Axp A 42  ? 40.999 14.246 88.725  1 127.551 ? 50  A 1 c
ATOM 704  H HG2  . GLU Axp A 42  ? 40.402 12.777 88.626  1 127.551 ? 50  A 1 c
ATOM 705  N N    . ALA Axp A 43  ? 37.659 12.61  91.832  1 97.699  ? 51  A 1 .
ATOM 706  C CA   . ALA Axp A 43  ? 36.874 12.067 92.928  1 104.353 ? 51  A 1 .
ATOM 707  C C    . ALA Axp A 43  ? 37.636 10.937 93.615  1 98.238  ? 51  A 1 .
ATOM 708  O O    . ALA Axp A 43  ? 38.048 9.987  92.962  1 106.483 ? 51  A 1 .
ATOM 709  C CB   . ALA Axp A 43  ? 35.562 11.566 92.38   1 110.624 ? 51  A 1 .
ATOM 710  H H    . ALA Axp A 43  ? 37.609 12.205 91.014  1 103.2   ? 51  A 1 c
ATOM 711  H HA   . ALA Axp A 43  ? 36.702 12.79  93.592  1 103.115 ? 51  A 1 c
ATOM 712  H HB3  . ALA Axp A 43  ? 35.137 10.984 93.033  1 108.588 ? 51  A 1 c
ATOM 713  H HB2  . ALA Axp A 43  ? 35.718 11.066 91.561  1 108.574 ? 51  A 1 c
ATOM 714  H HB1  . ALA Axp A 43  ? 34.978 12.319 92.191  1 108.623 ? 51  A 1 c
ATOM 715  N N    . THR Axp A 44  ? 37.809 11.018 94.936  1 99.108  ? 52  A 1 .
ATOM 716  C CA   . THR Axp A 44  ? 38.583 9.998  95.635  1 101.45  ? 52  A 1 .
ATOM 717  C C    . THR Axp A 44  ? 37.863 9.486  96.883  1 109.418 ? 52  A 1 .
ATOM 718  O O    . THR Axp A 44  ? 38.52  9.167  97.877  1 107.987 ? 52  A 1 .
ATOM 719  C CB   . THR Axp A 44  ? 39.961 10.544 96.013  1 96.14   ? 52  A 1 .
ATOM 720  O OG1  . THR Axp A 44  ? 39.753 11.436 97.109  1 85.793  ? 52  A 1 .
ATOM 721  C CG2  . THR Axp A 44  ? 40.673 11.187 94.833  1 96.187  ? 52  A 1 .
ATOM 722  H H    . THR Axp A 44  ? 37.444 11.709 95.41   1 99.48   ? 52  A 1 c
ATOM 723  H HA   . THR Axp A 44  ? 38.714 9.239  95.027  1 101.412 ? 52  A 1 c
ATOM 724  H HB   . THR Axp A 44  ? 40.522 9.793  96.321  1 95.03   ? 52  A 1 c
ATOM 725  H HG1  . THR Axp A 44  ? 39.478 12.17  96.751  0 81.75   ? 52  A 1 c
ATOM 726  H HG21 . THR Axp A 44  ? 41.625 11.242 95.019  1 96.179  ? 52  A 1 c
ATOM 727  H HG22 . THR Axp A 44  ? 40.32  12.081 94.688  1 96.19   ? 52  A 1 c
ATOM 728  H HG23 . THR Axp A 44  ? 40.53  10.649 94.036  1 96.186  ? 52  A 1 c
ATOM 729  N N    . TYR Axp A 45  ? 36.53  9.373  96.843  1 108.205 ? 53  A 1 .
ATOM 730  C CA   . TYR Axp A 45  ? 35.826 8.834  97.997  1 109.6   ? 53  A 1 .
ATOM 731  C C    . TYR Axp A 45  ? 34.385 8.476  97.642  1 103.84  ? 53  A 1 .
ATOM 732  O O    . TYR Axp A 45  ? 33.645 9.278  97.072  1 93.544  ? 53  A 1 .
ATOM 733  C CB   . TYR Axp A 45  ? 35.9   9.78   99.202  1 113.322 ? 53  A 1 .
ATOM 734  C CG   . TYR Axp A 45  ? 35.341 11.187 99.025  1 124.941 ? 53  A 1 .
ATOM 735  C CD1  . TYR Axp A 45  ? 34.02  11.47  99.343  1 133.999 ? 53  A 1 .
ATOM 736  C CD2  . TYR Axp A 45  ? 36.138 12.241 98.583  1 127.884 ? 53  A 1 .
ATOM 737  C CE1  . TYR Axp A 45  ? 33.504 12.751 99.213  1 131.296 ? 53  A 1 .
ATOM 738  C CE2  . TYR Axp A 45  ? 35.629 13.522 98.432  1 130.213 ? 53  A 1 .
ATOM 739  C CZ   . TYR Axp A 45  ? 34.314 13.781 98.766  1 123.571 ? 53  A 1 .
ATOM 740  O OH   . TYR Axp A 45  ? 33.828 15.047 98.626  1 92.327  ? 53  A 1 .
ATOM 741  H H    . TYR Axp A 45  ? 36.059 9.626  96.102  1 108.654 ? 53  A 1 c
ATOM 742  H HA   . TYR Axp A 45  ? 36.287 7.992  98.254  1 108.89  ? 53  A 1 c
ATOM 743  H HB3  . TYR Axp A 45  ? 36.839 9.853  99.478  1 114.91  ? 53  A 1 c
ATOM 744  H HB2  . TYR Axp A 45  ? 35.422 9.353  99.948  1 114.861 ? 53  A 1 c
ATOM 745  H HD1  . TYR Axp A 45  ? 33.461 10.779 99.661  1 130.924 ? 53  A 1 c
ATOM 746  H HD2  . TYR Axp A 45  ? 37.04  12.075 98.359  1 127.581 ? 53  A 1 c
ATOM 747  H HE1  . TYR Axp A 45  ? 32.604 12.922 99.433  1 129.715 ? 53  A 1 c
ATOM 748  H HE2  . TYR Axp A 45  ? 36.183 14.219 98.13   1 127.576 ? 53  A 1 c
ATOM 749  H HH   . TYR Axp A 45  ? 33.041 15.03  98.862  0 81.39   ? 53  A 1 c
ATOM 750  N N    . ASP Axp A 46  ? 34.008 7.256  98.038  1 105.175 ? 54  A 1 .
ATOM 751  C CA   . ASP Axp A 46  ? 32.673 6.728  97.814  1 126.772 ? 54  A 1 .
ATOM 752  C C    . ASP Axp A 46  ? 31.656 7.627  98.518  1 138.115 ? 54  A 1 .
ATOM 753  O O    . ASP Axp A 46  ? 31.729 7.814  99.737  1 137.966 ? 54  A 1 .
ATOM 754  C CB   . ASP Axp A 46  ? 32.595 5.272  98.252  1 130.509 ? 54  A 1 .
ATOM 755  C CG   . ASP Axp A 46  ? 31.255 4.575  98.05   1 130.094 ? 54  A 1 .
ATOM 756  O OD1  . ASP Axp A 46  ? 30.648 4.75   96.973  1 141.245 ? 54  A 1 .
ATOM 757  O OD2  . ASP Axp A 46  ? 30.837 3.833  98.959  1 126.462 ? 54  A 1 .
ATOM 758  H H    . ASP Axp A 46  ? 34.614 6.727  98.472  1 109.529 ? 54  A 1 c
ATOM 759  H HA   . ASP Axp A 46  ? 32.497 6.752  96.847  1 124.797 ? 54  A 1 c
ATOM 760  H HB3  . ASP Axp A 46  ? 32.819 5.225  99.205  1 129.531 ? 54  A 1 c
ATOM 761  H HB2  . ASP Axp A 46  ? 33.274 4.765  97.761  1 129.547 ? 54  A 1 c
ATOM 762  N N    . THR Axp A 47  ? 30.718 8.174  97.72   1 122.555 ? 55  A 1 .
ATOM 763  C CA   . THR Axp A 47  ? 29.767 9.186  98.171  1 107.56  ? 55  A 1 .
ATOM 764  C C    . THR Axp A 47  ? 28.473 8.57   98.708  1 99.728  ? 55  A 1 .
ATOM 765  O O    . THR Axp A 47  ? 27.695 9.266  99.363  1 88.246  ? 55  A 1 .
ATOM 766  C CB   . THR Axp A 47  ? 29.44  10.164 97.043  1 97.264  ? 55  A 1 .
ATOM 767  O OG1  . THR Axp A 47  ? 28.4   9.557  96.278  1 88.396  ? 55  A 1 .
ATOM 768  C CG2  . THR Axp A 47  ? 30.67  10.572 96.248  1 90.95   ? 55  A 1 .
ATOM 769  H H    . THR Axp A 47  ? 30.664 7.889  96.854  1 121.845 ? 55  A 1 c
ATOM 770  H HA   . THR Axp A 47  ? 30.189 9.694  98.898  1 107.109 ? 55  A 1 c
ATOM 771  H HB   . THR Axp A 47  ? 29.081 10.986 97.454  1 95.821  ? 55  A 1 c
ATOM 772  H HG1  . THR Axp A 47  ? 29.006 8.875  95.987  0 73.06   ? 55  A 1 c
ATOM 773  H HG21 . THR Axp A 47  ? 30.499 11.415 95.796  1 92.916  ? 55  A 1 c
ATOM 774  H HG22 . THR Axp A 47  ? 30.873 9.887  95.59   1 93.15   ? 55  A 1 c
ATOM 775  H HG23 . THR Axp A 47  ? 31.424 10.676 96.851  1 93.144  ? 55  A 1 c
ATOM 776  N N    . THR Axp A 48  ? 28.233 7.277  98.452  1 101.481 ? 56  A 1 .
ATOM 777  C CA   . THR Axp A 48  ? 27.037 6.622  98.971  1 103.543 ? 56  A 1 .
ATOM 778  C C    . THR Axp A 48  ? 26.882 6.952  100.463 1 102.129 ? 56  A 1 .
ATOM 779  O O    . THR Axp A 48  ? 25.757 7.113  100.949 1 88.46   ? 56  A 1 .
ATOM 780  C CB   . THR Axp A 48  ? 27.064 5.109  98.71   1 92.781  ? 56  A 1 .
ATOM 781  O OG1  . THR Axp A 48  ? 28.317 4.619  99.16   1 94.648  ? 56  A 1 .
ATOM 782  C CG2  . THR Axp A 48  ? 26.938 4.72   97.247  1 82.848  ? 56  A 1 .
ATOM 783  H H    . THR Axp A 48  ? 28.819 6.794  97.943  1 101.535 ? 56  A 1 c
ATOM 784  H HA   . THR Axp A 48  ? 26.263 6.995  98.495  1 100.825 ? 56  A 1 c
ATOM 785  H HB   . THR Axp A 48  ? 26.341 4.673  99.222  1 93.091  ? 56  A 1 c
ATOM 786  H HG1  . THR Axp A 48  ? 29.196 4.999  99.109  0 82.07   ? 56  A 1 c
ATOM 787  H HG21 . THR Axp A 48  ? 26.833 3.757  97.175  1 85.668  ? 56  A 1 c
ATOM 788  H HG22 . THR Axp A 48  ? 27.738 4.995  96.768  1 85.668  ? 56  A 1 c
ATOM 789  H HG23 . THR Axp A 48  ? 26.163 5.16   96.859  1 85.668  ? 56  A 1 c
ATOM 790  N N    . LEU Axp A 49  ? 28.017 7.065  101.175 1 96.342  ? 57  A 1 .
ATOM 791  C CA   . LEU Axp A 49  ? 28.028 7.386  102.595 1 104.765 ? 57  A 1 .
ATOM 792  C C    . LEU Axp A 49  ? 27.49  8.798  102.803 1 109.538 ? 57  A 1 .
ATOM 793  O O    . LEU Axp A 49  ? 26.713 9.034  103.725 1 115.24  ? 57  A 1 .
ATOM 794  C CB   . LEU Axp A 49  ? 29.442 7.223  103.168 1 115.05  ? 57  A 1 .
ATOM 795  C CG   . LEU Axp A 49  ? 29.647 7.507  104.669 1 121.549 ? 57  A 1 .
ATOM 796  C CD1  . LEU Axp A 49  ? 28.686 6.761  105.595 1 123.713 ? 57  A 1 .
ATOM 797  C CD2  . LEU Axp A 49  ? 31.074 7.196  105.093 1 111.008 ? 57  A 1 .
ATOM 798  H H    . LEU Axp A 49  ? 28.817 6.911  100.761 1 99.697  ? 57  A 1 c
ATOM 799  H HA   . LEU Axp A 49  ? 27.421 6.752  103.055 1 105.667 ? 57  A 1 c
ATOM 800  H HB3  . LEU Axp A 49  ? 30.044 7.815  102.661 1 114.025 ? 57  A 1 c
ATOM 801  H HB2  . LEU Axp A 49  ? 29.737 6.301  102.989 1 114.025 ? 57  A 1 c
ATOM 802  H HG   . LEU Axp A 49  ? 29.502 8.477  104.815 1 118.645 ? 57  A 1 c
ATOM 803  H HD11 . LEU Axp A 49  ? 27.782 7.091  105.459 1 122.948 ? 57  A 1 c
ATOM 804  H HD12 . LEU Axp A 49  ? 28.947 6.906  106.52  1 122.915 ? 57  A 1 c
ATOM 805  H HD13 . LEU Axp A 49  ? 28.716 5.81   105.396 1 123.019 ? 57  A 1 c
ATOM 806  H HD21 . LEU Axp A 49  ? 31.695 7.674  104.518 1 114.035 ? 57  A 1 c
ATOM 807  H HD22 . LEU Axp A 49  ? 31.235 6.24   105.018 1 114.035 ? 57  A 1 c
ATOM 808  H HD23 . LEU Axp A 49  ? 31.208 7.475  106.015 1 114.079 ? 57  A 1 c
ATOM 809  N N    . VAL Axp A 50  ? 27.934 9.728  101.948 1 113.455 ? 58  A 1 .
ATOM 810  C CA   . VAL Axp A 50  ? 27.628 11.14  102.096 1 100.015 ? 58  A 1 .
ATOM 811  C C    . VAL Axp A 50  ? 26.166 11.384 101.741 1 92.819  ? 58  A 1 .
ATOM 812  O O    . VAL Axp A 50  ? 25.464 12.068 102.469 1 84.24   ? 58  A 1 .
ATOM 813  C CB   . VAL Axp A 50  ? 28.531 12.014 101.213 1 93.97   ? 58  A 1 .
ATOM 814  C CG1  . VAL Axp A 50  ? 28.182 13.479 101.385 1 104.995 ? 58  A 1 .
ATOM 815  C CG2  . VAL Axp A 50  ? 30.015 11.784 101.475 1 93.307  ? 58  A 1 .
ATOM 816  H H    . VAL Axp A 50  ? 28.461 9.469  101.248 1 108.95  ? 58  A 1 c
ATOM 817  H HA   . VAL Axp A 50  ? 27.766 11.389 103.028 1 99.926  ? 58  A 1 c
ATOM 818  H HB   . VAL Axp A 50  ? 28.348 11.768 100.276 1 96.934  ? 58  A 1 c
ATOM 819  H HG11 . VAL Axp A 50  ? 28.21  13.711 102.328 1 101.38  ? 58  A 1 c
ATOM 820  H HG12 . VAL Axp A 50  ? 27.291 13.644 101.04  1 100.856 ? 58  A 1 c
ATOM 821  H HG13 . VAL Axp A 50  ? 28.822 14.025 100.898 1 101.36  ? 58  A 1 c
ATOM 822  H HG21 . VAL Axp A 50  ? 30.447 12.63  101.682 1 93.671  ? 58  A 1 c
ATOM 823  H HG22 . VAL Axp A 50  ? 30.427 11.398 100.683 1 93.569  ? 58  A 1 c
ATOM 824  H HG23 . VAL Axp A 50  ? 30.125 11.174 102.223 1 93.681  ? 58  A 1 c
ATOM 825  N N    . GLU Axp A 51  ? 25.729 10.821 100.613 1 89.553  ? 59  A 1 .
ATOM 826  C CA   . GLU Axp A 51  ? 24.357 10.946 100.145 1 89.701  ? 59  A 1 .
ATOM 827  C C    . GLU Axp A 51  ? 23.359 10.497 101.213 1 91.016  ? 59  A 1 .
ATOM 828  O O    . GLU Axp A 51  ? 22.264 11.043 101.316 1 87.612  ? 59  A 1 .
ATOM 829  C CB   . GLU Axp A 51  ? 24.189 10.082 98.897  1 99.042  ? 59  A 1 .
ATOM 830  C CG   . GLU Axp A 51  ? 25.071 10.513 97.724  1 102.936 ? 59  A 1 .
ATOM 831  C CD   . GLU Axp A 51  ? 24.473 11.603 96.853  1 105.18  ? 59  A 1 .
ATOM 832  O OE1  . GLU Axp A 51  ? 23.332 12.052 97.163  1 97.958  ? 59  A 1 .
ATOM 833  O OE2  . GLU Axp A 51  ? 25.156 11.989 95.87   1 98.114  ? 59  A 1 .
ATOM 834  H H    . GLU Axp A 51  ? 26.315 10.326 100.117 1 90.784  ? 59  A 1 c
ATOM 835  H HA   . GLU Axp A 51  ? 24.185 11.896 99.919  1 91.54   ? 59  A 1 c
ATOM 836  H HB3  . GLU Axp A 51  ? 23.248 10.101 98.623  1 97.68   ? 59  A 1 c
ATOM 837  H HB2  . GLU Axp A 51  ? 24.412 9.156  99.126  1 97.684  ? 59  A 1 c
ATOM 838  H HG3  . GLU Axp A 51  ? 25.252 9.731  97.159  1 102.5   ? 59  A 1 c
ATOM 839  H HG2  . GLU Axp A 51  ? 25.931 10.831 98.067  1 102.297 ? 59  A 1 c
ATOM 840  N N    . LYS Axp A 52  ? 23.737 9.496  102.012 1 106.706 ? 60  A 1 .
ATOM 841  C CA   . LYS Axp A 52  ? 22.855 8.984  103.046 1 112.695 ? 60  A 1 .
ATOM 842  C C    . LYS Axp A 52  ? 22.699 9.992  104.19  1 106.987 ? 60  A 1 .
ATOM 843  O O    . LYS Axp A 52  ? 21.803 9.844  105.005 1 107.602 ? 60  A 1 .
ATOM 844  C CB   . LYS Axp A 52  ? 23.365 7.659  103.623 1 124.614 ? 60  A 1 .
ATOM 845  C CG   . LYS Axp A 52  ? 22.284 6.81   104.306 1 128.035 ? 60  A 1 .
ATOM 846  C CD   . LYS Axp A 52  ? 22.669 6.269  105.681 1 130.774 ? 60  A 1 .
ATOM 847  C CE   . LYS Axp A 52  ? 23.95  5.484  105.709 1 136.281 ? 60  A 1 .
ATOM 848  N NZ   . LYS Axp A 52  ? 24.46  5.317  107.075 1 137.14  ? 60  A 1 .
ATOM 849  H H    . LYS Axp A 52  ? 24.559 9.112  101.903 1 103.979 ? 60  A 1 c
ATOM 850  H HA   . LYS Axp A 52  ? 21.964 8.827  102.643 1 112.312 ? 60  A 1 c
ATOM 851  H HB3  . LYS Axp A 52  ? 24.071 7.853  104.275 1 122.624 ? 60  A 1 c
ATOM 852  H HB2  . LYS Axp A 52  ? 23.764 7.131  102.899 1 122.438 ? 60  A 1 c
ATOM 853  H HG3  . LYS Axp A 52  ? 22.07  6.053  103.718 1 127.782 ? 60  A 1 c
ATOM 854  H HG2  . LYS Axp A 52  ? 21.471 7.352  104.395 1 127.444 ? 60  A 1 c
ATOM 855  H HD3  . LYS Axp A 52  ? 21.941 5.696  106.005 1 131.4   ? 60  A 1 c
ATOM 856  H HD2  . LYS Axp A 52  ? 22.747 7.025  106.303 1 131.428 ? 60  A 1 c
ATOM 857  H HE3  . LYS Axp A 52  ? 24.631 5.93   105.176 1 135.06  ? 60  A 1 c
ATOM 858  H HE2  . LYS Axp A 52  ? 23.796 4.604  105.322 1 135.178 ? 60  A 1 c
ATOM 859  H HZ1  . LYS Axp A 52  ? 23.831 4.917  107.589 1 136.866 ? 60  A 1 c
ATOM 860  H HZ2  . LYS Axp A 52  ? 24.661 6.127  107.428 1 136.838 ? 60  A 1 c
ATOM 861  H HZ3  . LYS Axp A 52  ? 25.206 4.804  107.063 1 136.866 ? 60  A 1 c
ATOM 862  N N    . GLU Axp A 53  ? 23.563 11.007 104.268 1 107.283 ? 61  A 1 .
ATOM 863  C CA   . GLU Axp A 53  ? 23.394 12.07  105.249 1 123.449 ? 61  A 1 .
ATOM 864  C C    . GLU Axp A 53  ? 22.75  13.313 104.63  1 116.004 ? 61  A 1 .
ATOM 865  O O    . GLU Axp A 53  ? 22.885 14.41  105.166 1 94.615  ? 61  A 1 .
ATOM 866  C CB   . GLU Axp A 53  ? 24.752 12.438 105.841 1 135.012 ? 61  A 1 .
ATOM 867  C CG   . GLU Axp A 53  ? 25.484 11.249 106.451 1 136.767 ? 61  A 1 .
ATOM 868  C CD   . GLU Axp A 53  ? 24.816 10.66  107.676 1 132.004 ? 61  A 1 .
ATOM 869  O OE1  . GLU Axp A 53  ? 23.654 11.004 107.975 1 119.953 ? 61  A 1 .
ATOM 870  O OE2  . GLU Axp A 53  ? 25.516 9.892  108.373 1 123.501 ? 61  A 1 .
ATOM 871  H H    . GLU Axp A 53  ? 24.289 11.032 103.714 1 110.548 ? 61  A 1 c
ATOM 872  H HA   . GLU Axp A 53  ? 22.804 11.743 105.971 1 120.582 ? 61  A 1 c
ATOM 873  H HB3  . GLU Axp A 53  ? 24.622 13.118 106.535 1 132.423 ? 61  A 1 c
ATOM 874  H HB2  . GLU Axp A 53  ? 25.308 12.832 105.137 1 132.626 ? 61  A 1 c
ATOM 875  H HG3  . GLU Axp A 53  ? 26.389 11.525 106.698 1 134.325 ? 61  A 1 c
ATOM 876  H HG2  . GLU Axp A 53  ? 25.569 10.543 105.775 1 134.906 ? 61  A 1 c
ATOM 877  N N    . GLY Axp A 54  ? 22.059 13.141 103.497 1 117.666 ? 62  A 1 .
ATOM 878  C CA   . GLY Axp A 54  ? 21.303 14.218 102.877 1 101.61  ? 62  A 1 .
ATOM 879  C C    . GLY Axp A 54  ? 22.183 15.241 102.157 1 93.981  ? 62  A 1 .
ATOM 880  O O    . GLY Axp A 54  ? 21.692 16.322 101.826 1 105.662 ? 62  A 1 .
ATOM 881  H H    . GLY Axp A 54  ? 22.058 12.323 103.092 1 113.281 ? 62  A 1 c
ATOM 882  H HA3  . GLY Axp A 54  ? 20.775 14.676 103.572 1 103.441 ? 62  A 1 c
ATOM 883  H HA2  . GLY Axp A 54  ? 20.669 13.826 102.231 1 103.431 ? 62  A 1 c
ATOM 884  N N    . ILE Axp A 55  ? 23.455 14.889 101.891 1 70.828  ? 63  A 1 .
ATOM 885  C CA   . ILE Axp A 55  ? 24.42  15.813 101.312 1 62.216  ? 63  A 1 .
ATOM 886  C C    . ILE Axp A 55  ? 24.783 15.363 99.897  1 65.435  ? 63  A 1 .
ATOM 887  O O    . ILE Axp A 55  ? 25.825 14.764 99.681  1 65.427  ? 63  A 1 .
ATOM 888  C CB   . ILE Axp A 55  ? 25.647 15.949 102.234 1 62.088  ? 63  A 1 .
ATOM 889  C CG1  . ILE Axp A 55  ? 25.228 16.589 103.567 1 71.154  ? 63  A 1 .
ATOM 890  C CG2  . ILE Axp A 55  ? 26.789 16.717 101.563 1 58.965  ? 63  A 1 .
ATOM 891  C CD1  . ILE Axp A 55  ? 26.357 16.891 104.541 1 78.103  ? 63  A 1 .
ATOM 892  H H    . ILE Axp A 55  ? 23.725 14.034 102.067 1 74.216  ? 63  A 1 c
ATOM 893  H HA   . ILE Axp A 55  ? 23.999 16.691 101.249 1 64.829  ? 63  A 1 c
ATOM 894  H HB   . ILE Axp A 55  ? 25.97  15.047 102.43  1 63.294  ? 63  A 1 c
ATOM 895  H HG12 . ILE Axp A 55  ? 24.593 15.991 104.009 1 70.585  ? 63  A 1 c
ATOM 896  H HG13 . ILE Axp A 55  ? 24.757 17.424 103.372 1 70.443  ? 63  A 1 c
ATOM 897  H HG21 . ILE Axp A 55  ? 27.319 17.174 102.237 1 60.281  ? 63  A 1 c
ATOM 898  H HG22 . ILE Axp A 55  ? 26.423 17.373 100.946 1 60.042  ? 63  A 1 c
ATOM 899  H HG23 . ILE Axp A 55  ? 27.358 16.099 101.076 1 60.191  ? 63  A 1 c
ATOM 900  H HD11 . ILE Axp A 55  ? 27.094 16.268 104.394 1 75.739  ? 63  A 1 c
ATOM 901  H HD12 . ILE Axp A 55  ? 26.031 16.795 105.456 1 75.899  ? 63  A 1 c
ATOM 902  H HD13 . ILE Axp A 55  ? 26.673 17.804 104.404 1 75.782  ? 63  A 1 c
ATOM 903  N N    . HIS Axp A 56  ? 23.936 15.702 98.913  1 80.585  ? 64  A 1 .
ATOM 904  C CA   . HIS Axp A 56  ? 24.133 15.302 97.521  1 83.698  ? 64  A 1 .
ATOM 905  C C    . HIS Axp A 56  ? 25.476 15.803 96.969  1 91.971  ? 64  A 1 .
ATOM 906  O O    . HIS Axp A 56  ? 25.9   16.926 97.246  1 98.798  ? 64  A 1 .
ATOM 907  C CB   . HIS Axp A 56  ? 22.955 15.762 96.654  1 72.756  ? 64  A 1 .
ATOM 908  C CG   . HIS Axp A 56  ? 23.076 15.371 95.216  1 83.269  ? 64  A 1 .
ATOM 909  N ND1  . HIS Axp A 56  ? 23.227 16.253 94.164  1 97.199  ? 64  A 1 .
ATOM 910  C CD2  . HIS Axp A 56  ? 23.027 14.161 94.664  1 92.749  ? 64  A 1 .
ATOM 911  C CE1  . HIS Axp A 56  ? 23.261 15.584 93.022  1 90.714  ? 64  A 1 .
ATOM 912  N NE2  . HIS Axp A 56  ? 23.156 14.311 93.307  1 93.915  ? 64  A 1 .
ATOM 913  H H    . HIS Axp A 56  ? 23.202 16.206 99.12   1 77.072  ? 64  A 1 c
ATOM 914  H HA   . HIS Axp A 56  ? 24.151 14.317 97.509  1 82.533  ? 64  A 1 c
ATOM 915  H HB3  . HIS Axp A 56  ? 22.884 16.74  96.714  1 77.482  ? 64  A 1 c
ATOM 916  H HB2  . HIS Axp A 56  ? 22.128 15.379 97.02   1 77.482  ? 64  A 1 c
ATOM 917  H HD1  . HIS Axp A 56  ? 23.495 16.948 94.108  0 82      ? 64  A 1 c
ATOM 918  H HD2  . HIS Axp A 56  ? 22.927 13.344 95.111  1 90.798  ? 64  A 1 c
ATOM 919  H HE1  . HIS Axp A 56  ? 23.373 15.955 92.163  1 92.895  ? 64  A 1 c
ATOM 920  H HE2  . HIS Axp A 56  ? 23.612 13.425 92.677  0 82      ? 64  A 1 c
ATOM 921  N N    . VAL Axp A 57  ? 26.139 14.968 96.153  1 80.742  ? 65  A 1 .
ATOM 922  C CA   . VAL Axp A 57  ? 27.448 15.319 95.628  1 68.924  ? 65  A 1 .
ATOM 923  C C    . VAL Axp A 57  ? 27.351 15.53  94.125  1 68.251  ? 65  A 1 .
ATOM 924  O O    . VAL Axp A 57  ? 26.822 14.691 93.413  1 68.804  ? 65  A 1 .
ATOM 925  C CB   . VAL Axp A 57  ? 28.511 14.259 95.962  1 65.379  ? 65  A 1 .
ATOM 926  C CG1  . VAL Axp A 57  ? 29.92  14.689 95.536  1 65.459  ? 65  A 1 .
ATOM 927  C CG2  . VAL Axp A 57  ? 28.468 13.894 97.444  1 67.901  ? 65  A 1 .
ATOM 928  H H    . VAL Axp A 57  ? 25.766 14.167 95.918  1 80.413  ? 65  A 1 c
ATOM 929  H HA   . VAL Axp A 57  ? 27.722 16.158 96.035  1 70.868  ? 65  A 1 c
ATOM 930  H HB   . VAL Axp A 57  ? 28.28  13.449 95.45   1 66.516  ? 65  A 1 c
ATOM 931  H HG11 . VAL Axp A 57  ? 30.029 15.642 95.685  1 65.683  ? 65  A 1 c
ATOM 932  H HG12 . VAL Axp A 57  ? 30.046 14.494 94.592  1 65.511  ? 65  A 1 c
ATOM 933  H HG13 . VAL Axp A 57  ? 30.583 14.203 96.055  1 65.523  ? 65  A 1 c
ATOM 934  H HG21 . VAL Axp A 57  ? 29.373 13.804 97.787  1 67.219  ? 65  A 1 c
ATOM 935  H HG22 . VAL Axp A 57  ? 27.997 13.051 97.555  1 67.369  ? 65  A 1 c
ATOM 936  H HG23 . VAL Axp A 57  ? 28.004 14.589 97.939  1 67.409  ? 65  A 1 c
ATOM 937  N N    . LEU Axp A 58  ? 27.897 16.652 93.653  1 79.223  ? 66  A 1 .
ATOM 938  C CA   . LEU Axp A 58  ? 28.003 16.919 92.228  1 85.682  ? 66  A 1 .
ATOM 939  C C    . LEU Axp A 58  ? 29.462 16.819 91.796  1 88.638  ? 66  A 1 .
ATOM 940  O O    . LEU Axp A 58  ? 30.353 17.303 92.498  1 73.137  ? 66  A 1 .
ATOM 941  C CB   . LEU Axp A 58  ? 27.43  18.299 91.924  1 96.665  ? 66  A 1 .
ATOM 942  C CG   . LEU Axp A 58  ? 25.911 18.446 92.086  1 102.219 ? 66  A 1 .
ATOM 943  C CD1  . LEU Axp A 58  ? 25.505 19.903 92.238  1 104.518 ? 66  A 1 .
ATOM 944  C CD2  . LEU Axp A 58  ? 25.177 17.803 90.92   1 107.264 ? 66  A 1 .
ATOM 945  H H    . LEU Axp A 58  ? 28.217 17.276 94.24   1 77.689  ? 66  A 1 c
ATOM 946  H HA   . LEU Axp A 58  ? 27.478 16.236 91.739  1 86.81   ? 66  A 1 c
ATOM 947  H HB3  . LEU Axp A 58  ? 27.668 18.534 90.998  1 95.291  ? 66  A 1 c
ATOM 948  H HB2  . LEU Axp A 58  ? 27.87  18.949 92.519  1 95.116  ? 66  A 1 c
ATOM 949  H HG   . LEU Axp A 58  ? 25.643 17.969 92.913  1 102.383 ? 66  A 1 c
ATOM 950  H HD11 . LEU Axp A 58  ? 25.217 20.064 93.152  1 103.177 ? 66  A 1 c
ATOM 951  H HD12 . LEU Axp A 58  ? 24.775 20.105 91.63   1 103.541 ? 66  A 1 c
ATOM 952  H HD13 . LEU Axp A 58  ? 26.263 20.476 92.033  1 102.785 ? 66  A 1 c
ATOM 953  H HD21 . LEU Axp A 58  ? 25.33  16.843 90.931  1 105.542 ? 66  A 1 c
ATOM 954  H HD22 . LEU Axp A 58  ? 25.506 18.172 90.085  1 105.461 ? 66  A 1 c
ATOM 955  H HD23 . LEU Axp A 58  ? 24.224 17.977 90.999  1 105.64  ? 66  A 1 c
ATOM 956  N N    . ASP Axp A 59  ? 29.675 16.208 90.618  1 102.511 ? 67  A 1 .
ATOM 957  C CA   . ASP Axp A 59  ? 31.005 16.028 90.056  1 94.939  ? 67  A 1 .
ATOM 958  C C    . ASP Axp A 59  ? 31.123 16.77  88.738  1 95.32   ? 67  A 1 .
ATOM 959  O O    . ASP Axp A 59  ? 30.943 16.169 87.689  1 94.072  ? 67  A 1 .
ATOM 960  C CB   . ASP Axp A 59  ? 31.349 14.566 89.864  1 79.738  ? 67  A 1 .
ATOM 961  C CG   . ASP Axp A 59  ? 31.69  13.866 91.166  1 92.575  ? 67  A 1 .
ATOM 962  O OD1  . ASP Axp A 59  ? 32.476 14.432 91.956  1 111.139 ? 67  A 1 .
ATOM 963  O OD2  . ASP Axp A 59  ? 31.159 12.769 91.386  1 105.263 ? 67  A 1 .
ATOM 964  H H    . ASP Axp A 59  ? 28.959 15.892 90.146  1 97.134  ? 67  A 1 c
ATOM 965  H HA   . ASP Axp A 59  ? 31.66  16.409 90.682  1 93.291  ? 67  A 1 c
ATOM 966  H HB3  . ASP Axp A 59  ? 32.12  14.486 89.265  1 85.979  ? 67  A 1 c
ATOM 967  H HB2  . ASP Axp A 59  ? 30.588 14.108 89.45   1 85.991  ? 67  A 1 c
ATOM 968  N N    . TRP Axp A 60  ? 31.474 18.056 88.82   1 95.648  ? 68  A 1 .
ATOM 969  C CA   . TRP Axp A 60  ? 31.716 18.873 87.647  1 95.576  ? 68  A 1 .
ATOM 970  C C    . TRP Axp A 60  ? 33.198 19.215 87.574  1 103.675 ? 68  A 1 .
ATOM 971  O O    . TRP Axp A 60  ? 33.575 20.356 87.841  1 94.678  ? 68  A 1 .
ATOM 972  C CB   . TRP Axp A 60  ? 30.864 20.142 87.726  1 96.731  ? 68  A 1 .
ATOM 973  C CG   . TRP Axp A 60  ? 29.396 19.89  87.929  1 87.816  ? 68  A 1 .
ATOM 974  C CD1  . TRP Axp A 60  ? 28.698 18.789 87.548  1 79.919  ? 68  A 1 .
ATOM 975  C CD2  . TRP Axp A 60  ? 28.446 20.775 88.559  1 99.682  ? 68  A 1 .
ATOM 976  N NE1  . TRP Axp A 60  ? 27.382 18.928 87.88   1 92.906  ? 68  A 1 .
ATOM 977  C CE2  . TRP Axp A 60  ? 27.191 20.129 88.506  1 101.66  ? 68  A 1 .
ATOM 978  C CE3  . TRP Axp A 60  ? 28.528 22.04  89.16   1 92.338  ? 68  A 1 .
ATOM 979  C CZ2  . TRP Axp A 60  ? 26.03  20.703 89.03   1 91.186  ? 68  A 1 .
ATOM 980  C CZ3  . TRP Axp A 60  ? 27.384 22.6   89.687  1 85.24   ? 68  A 1 .
ATOM 981  C CH2  . TRP Axp A 60  ? 26.154 21.938 89.625  1 85.645  ? 68  A 1 .
ATOM 982  H H    . TRP Axp A 60  ? 31.563 18.441 89.645  1 95.531  ? 68  A 1 c
ATOM 983  H HA   . TRP Axp A 60  ? 31.458 18.363 86.833  1 97.222  ? 68  A 1 c
ATOM 984  H HB3  . TRP Axp A 60  ? 30.987 20.652 86.898  1 94.322  ? 68  A 1 c
ATOM 985  H HB2  . TRP Axp A 60  ? 31.192 20.692 88.469  1 94.377  ? 68  A 1 c
ATOM 986  H HD1  . TRP Axp A 60  ? 29.057 18.041 87.097  1 84.9    ? 68  A 1 c
ATOM 987  H HE1  . TRP Axp A 60  ? 26.76  18.334 87.727  1 91.555  ? 68  A 1 c
ATOM 988  H HE3  . TRP Axp A 60  ? 29.354 22.49  89.216  1 92.155  ? 68  A 1 c
ATOM 989  H HZ2  . TRP Axp A 60  ? 25.202 20.255 88.99   1 92.162  ? 68  A 1 c
ATOM 990  H HZ3  . TRP Axp A 60  ? 27.433 23.444 90.098  1 86.722  ? 68  A 1 c
ATOM 991  H HH2  . TRP Axp A 60  ? 25.389 22.351 89.985  1 87.003  ? 68  A 1 c
ATOM 992  N N    . PRO Axp A 61  ? 34.089 18.237 87.281  1 124.053 ? 69  A 1 .
ATOM 993  C CA   . PRO Axp A 61  ? 35.515 18.505 87.14   1 117.183 ? 69  A 1 .
ATOM 994  C C    . PRO Axp A 61  ? 35.851 19.3   85.887  1 113.146 ? 69  A 1 .
ATOM 995  O O    . PRO Axp A 61  ? 35.203 19.149 84.853  1 110.93  ? 69  A 1 .
ATOM 996  C CB   . PRO Axp A 61  ? 36.146 17.114 87.124  1 112.713 ? 69  A 1 .
ATOM 997  C CG   . PRO Axp A 61  ? 35.061 16.233 87.731  1 118.919 ? 69  A 1 .
ATOM 998  C CD   . PRO Axp A 61  ? 33.812 16.8   87.163  1 123.297 ? 69  A 1 .
ATOM 999  H HA   . PRO Axp A 61  ? 35.826 18.992 87.925  1 116.527 ? 69  A 1 c
ATOM 1000 H HB3  . PRO Axp A 61  ? 36.96  17.091 87.664  1 115.079 ? 69  A 1 c
ATOM 1001 H HB2  . PRO Axp A 61  ? 36.356 16.833 86.212  1 115.07  ? 69  A 1 c
ATOM 1002 H HG3  . PRO Axp A 61  ? 35.061 16.294 88.707  1 118.493 ? 69  A 1 c
ATOM 1003 H HG2  . PRO Axp A 61  ? 35.174 15.299 87.466  1 118.493 ? 69  A 1 c
ATOM 1004 H HD3  . PRO Axp A 61  ? 33.684 16.539 86.23   1 122.303 ? 69  A 1 c
ATOM 1005 H HD2  . PRO Axp A 61  ? 33.043 16.542 87.684  1 121.635 ? 69  A 1 c
ATOM 1006 N N    . PHE Axp A 62  ? 36.873 20.147 86.004  1 109.214 ? 70  A 1 .
ATOM 1007 C CA   . PHE Axp A 62  ? 37.348 20.918 84.873  1 122.898 ? 70  A 1 .
ATOM 1008 C C    . PHE Axp A 62  ? 38.86  21.076 84.994  1 139.894 ? 70  A 1 .
ATOM 1009 O O    . PHE Axp A 62  ? 39.363 21.381 86.071  1 151.193 ? 70  A 1 .
ATOM 1010 C CB   . PHE Axp A 62  ? 36.587 22.245 84.808  1 120.375 ? 70  A 1 .
ATOM 1011 C CG   . PHE Axp A 62  ? 36.75  23.161 86.015  1 127.55  ? 70  A 1 .
ATOM 1012 C CD1  . PHE Axp A 62  ? 37.849 24.007 86.14   1 131.86  ? 70  A 1 .
ATOM 1013 C CD2  . PHE Axp A 62  ? 35.774 23.216 87.005  1 127.142 ? 70  A 1 .
ATOM 1014 C CE1  . PHE Axp A 62  ? 37.981 24.855 87.236  1 123.619 ? 70  A 1 .
ATOM 1015 C CE2  . PHE Axp A 62  ? 35.9   24.081 88.087  1 118.845 ? 70  A 1 .
ATOM 1016 C CZ   . PHE Axp A 62  ? 37     24.897 88.201  1 117.647 ? 70  A 1 .
ATOM 1017 H H    . PHE Axp A 62  ? 37.287 20.248 86.813  1 113.332 ? 70  A 1 c
ATOM 1018 H HA   . PHE Axp A 62  ? 37.153 20.407 84.043  1 122.571 ? 70  A 1 c
ATOM 1019 H HB3  . PHE Axp A 62  ? 35.633 22.045 84.692  1 122.182 ? 70  A 1 c
ATOM 1020 H HB2  . PHE Axp A 62  ? 36.885 22.727 84.005  1 122.292 ? 70  A 1 c
ATOM 1021 H HD1  . PHE Axp A 62  ? 38.524 23.99  85.481  1 128.678 ? 70  A 1 c
ATOM 1022 H HD2  . PHE Axp A 62  ? 35.009 22.668 86.933  1 125.171 ? 70  A 1 c
ATOM 1023 H HE1  . PHE Axp A 62  ? 38.737 25.416 87.308  1 124.014 ? 70  A 1 c
ATOM 1024 H HE2  . PHE Axp A 62  ? 35.232 24.097 88.754  1 119.814 ? 70  A 1 c
ATOM 1025 H HZ   . PHE Axp A 62  ? 37.091 25.471 88.946  1 119.472 ? 70  A 1 c
ATOM 1026 N N    . ASP Axp A 63  ? 39.545 20.884 83.861  1 136     ? 71  A 1 .
ATOM 1027 C CA   . ASP Axp A 63  ? 40.993 20.851 83.77   1 138.884 ? 71  A 1 .
ATOM 1028 C C    . ASP Axp A 63  ? 41.637 22.118 84.344  1 162.319 ? 71  A 1 .
ATOM 1029 O O    . ASP Axp A 63  ? 41.22  23.24  84.036  1 175.819 ? 71  A 1 .
ATOM 1030 C CB   . ASP Axp A 63  ? 41.383 20.682 82.312  1 132.422 ? 71  A 1 .
ATOM 1031 C CG   . ASP Axp A 63  ? 42.84  20.335 82.059  1 139.507 ? 71  A 1 .
ATOM 1032 O OD1  . ASP Axp A 63  ? 43.541 19.971 83.023  1 132.023 ? 71  A 1 .
ATOM 1033 O OD2  . ASP Axp A 63  ? 43.254 20.426 80.892  1 138.733 ? 71  A 1 .
ATOM 1034 H H    . ASP Axp A 63  ? 39.068 20.772 83.09   1 137.268 ? 71  A 1 c
ATOM 1035 H HA   . ASP Axp A 63  ? 41.315 20.07  84.275  1 141.292 ? 71  A 1 c
ATOM 1036 H HB3  . ASP Axp A 63  ? 41.18  21.513 81.835  1 135.448 ? 71  A 1 c
ATOM 1037 H HB2  . ASP Axp A 63  ? 40.834 19.97  81.921  1 135.492 ? 71  A 1 c
ATOM 1038 N N    . ASP Axp A 64  ? 42.7   21.911 85.139  1 164.846 ? 72  A 1 .
ATOM 1039 C CA   . ASP Axp A 64  ? 43.457 22.982 85.775  1 170.347 ? 72  A 1 .
ATOM 1040 C C    . ASP Axp A 64  ? 44.089 23.905 84.726  1 166.138 ? 72  A 1 .
ATOM 1041 O O    . ASP Axp A 64  ? 44.43  23.47  83.621  1 116.843 ? 72  A 1 .
ATOM 1042 C CB   . ASP Axp A 64  ? 44.469 22.411 86.76   1 152.869 ? 72  A 1 .
ATOM 1043 C CG   . ASP Axp A 64  ? 45.338 23.426 87.485  1 142.536 ? 72  A 1 .
ATOM 1044 O OD1  . ASP Axp A 64  ? 46.026 24.23  86.807  1 134.34  ? 72  A 1 .
ATOM 1045 O OD2  . ASP Axp A 64  ? 45.32  23.401 88.724  1 131.228 ? 72  A 1 .
ATOM 1046 H H    . ASP Axp A 64  ? 42.967 21.05  85.29   1 164.94  ? 72  A 1 c
ATOM 1047 H HA   . ASP Axp A 64  ? 42.827 23.519 86.306  1 164.62  ? 72  A 1 c
ATOM 1048 H HB3  . ASP Axp A 64  ? 45.062 21.802 86.273  1 154.147 ? 72  A 1 c
ATOM 1049 H HB2  . ASP Axp A 64  ? 43.99  21.884 87.432  1 153.955 ? 72  A 1 c
ATOM 1050 N N    . GLY Axp A 65  ? 44.234 25.189 85.112  1 153.016 ? 73  A 1 .
ATOM 1051 C CA   . GLY Axp A 65  ? 44.666 26.259 84.224  1 129.348 ? 73  A 1 .
ATOM 1052 C C    . GLY Axp A 65  ? 43.859 26.251 82.927  1 122.813 ? 73  A 1 .
ATOM 1053 O O    . GLY Axp A 65  ? 44.341 26.712 81.896  1 126.648 ? 73  A 1 .
ATOM 1054 H H    . GLY Axp A 65  ? 44.047 25.405 85.981  1 150.399 ? 73  A 1 c
ATOM 1055 H HA3  . GLY Axp A 65  ? 45.624 26.144 84.019  1 133.089 ? 73  A 1 c
ATOM 1056 H HA2  . GLY Axp A 65  ? 44.553 27.126 84.68   1 133.089 ? 73  A 1 c
ATOM 1057 N N    . ALA Axp A 66  ? 42.635 25.707 83.005  1 117.771 ? 74  A 1 .
ATOM 1058 C CA   . ALA Axp A 66  ? 41.682 25.7   81.908  1 113.503 ? 74  A 1 .
ATOM 1059 C C    . ALA Axp A 66  ? 40.321 26.152 82.445  1 122.718 ? 74  A 1 .
ATOM 1060 O O    . ALA Axp A 66  ? 39.767 25.526 83.349  1 121.219 ? 74  A 1 .
ATOM 1061 C CB   . ALA Axp A 66  ? 41.627 24.324 81.274  1 102.034 ? 74  A 1 .
ATOM 1062 H H    . ALA Axp A 66  ? 42.369 25.343 83.799  1 118.607 ? 74  A 1 c
ATOM 1063 H HA   . ALA Axp A 66  ? 41.986 26.355 81.226  1 114.001 ? 74  A 1 c
ATOM 1064 H HB3  . ALA Axp A 66  ? 41.732 24.405 80.311  1 105.504 ? 74  A 1 c
ATOM 1065 H HB2  . ALA Axp A 66  ? 40.772 23.906 81.469  1 105.864 ? 74  A 1 c
ATOM 1066 H HB1  . ALA Axp A 66  ? 42.343 23.771 81.629  1 105.787 ? 74  A 1 c
ATOM 1067 N N    . PRO Axp A 67  ? 39.758 27.28  81.944  1 126.035 ? 75  A 1 .
ATOM 1068 C CA   . PRO Axp A 67  ? 38.462 27.773 82.398  1 121.072 ? 75  A 1 .
ATOM 1069 C C    . PRO Axp A 67  ? 37.363 26.709 82.453  1 108.087 ? 75  A 1 .
ATOM 1070 O O    . PRO Axp A 67  ? 37.173 25.964 81.5    1 103.551 ? 75  A 1 .
ATOM 1071 C CB   . PRO Axp A 67  ? 38.161 28.868 81.372  1 120.69  ? 75  A 1 .
ATOM 1072 C CG   . PRO Axp A 67  ? 39.541 29.414 81.069  1 114.97  ? 75  A 1 .
ATOM 1073 C CD   . PRO Axp A 67  ? 40.354 28.166 80.929  1 123.085 ? 75  A 1 .
ATOM 1074 H HA   . PRO Axp A 67  ? 38.569 28.179 83.281  1 119.155 ? 75  A 1 c
ATOM 1075 H HB3  . PRO Axp A 67  ? 37.583 29.554 81.751  1 118.885 ? 75  A 1 c
ATOM 1076 H HB2  . PRO Axp A 67  ? 37.745 28.495 80.571  1 119.281 ? 75  A 1 c
ATOM 1077 H HG3  . PRO Axp A 67  ? 39.874 29.971 81.801  1 118.058 ? 75  A 1 c
ATOM 1078 H HG2  . PRO Axp A 67  ? 39.545 29.931 80.239  1 118.058 ? 75  A 1 c
ATOM 1079 H HD3  . PRO Axp A 67  ? 40.268 27.78  80.036  1 121.853 ? 75  A 1 c
ATOM 1080 H HD2  . PRO Axp A 67  ? 41.293 28.33  81.122  1 121.783 ? 75  A 1 c
ATOM 1081 N N    . PRO Axp A 68  ? 36.566 26.635 83.544  1 102.647 ? 76  A 1 .
ATOM 1082 C CA   . PRO Axp A 68  ? 35.557 25.596 83.715  1 99.169  ? 76  A 1 .
ATOM 1083 C C    . PRO Axp A 68  ? 34.42  25.615 82.694  1 105.645 ? 76  A 1 .
ATOM 1084 O O    . PRO Axp A 68  ? 33.25  25.734 83.055  1 126.231 ? 76  A 1 .
ATOM 1085 C CB   . PRO Axp A 68  ? 35.029 25.86  85.126  1 88.891  ? 76  A 1 .
ATOM 1086 C CG   . PRO Axp A 68  ? 35.241 27.349 85.299  1 91.018  ? 76  A 1 .
ATOM 1087 C CD   . PRO Axp A 68  ? 36.584 27.575 84.677  1 107.231 ? 76  A 1 .
ATOM 1088 H HA   . PRO Axp A 68  ? 35.993 24.722 83.692  1 99.347  ? 76  A 1 c
ATOM 1089 H HB3  . PRO Axp A 68  ? 35.537 25.363 85.788  1 92.518  ? 76  A 1 c
ATOM 1090 H HB2  . PRO Axp A 68  ? 34.084 25.625 85.204  1 92.033  ? 76  A 1 c
ATOM 1091 H HG3  . PRO Axp A 68  ? 35.247 27.598 86.245  1 94.001  ? 76  A 1 c
ATOM 1092 H HG2  . PRO Axp A 68  ? 34.549 27.862 84.835  1 94.001  ? 76  A 1 c
ATOM 1093 H HD3  . PRO Axp A 68  ? 36.682 28.493 84.367  1 102.299 ? 76  A 1 c
ATOM 1094 H HD2  . PRO Axp A 68  ? 37.308 27.361 85.297  1 102.292 ? 76  A 1 c
ATOM 1095 N N    . SER Axp A 69  ? 34.759 25.439 81.418  1 94.76   ? 77  A 1 .
ATOM 1096 C CA   . SER Axp A 69  ? 33.76  25.122 80.417  1 97.097  ? 77  A 1 .
ATOM 1097 C C    . SER Axp A 69  ? 32.634 26.141 80.488  1 91.644  ? 77  A 1 .
ATOM 1098 O O    . SER Axp A 69  ? 32.803 27.249 80.979  1 105.006 ? 77  A 1 .
ATOM 1099 C CB   . SER Axp A 69  ? 33.216 23.714 80.588  1 94.463  ? 77  A 1 .
ATOM 1100 O OG   . SER Axp A 69  ? 32.171 23.678 81.547  1 92.957  ? 77  A 1 .
ATOM 1101 H H    . SER Axp A 69  ? 35.634 25.506 81.164  1 97.888  ? 77  A 1 c
ATOM 1102 H HA   . SER Axp A 69  ? 34.184 25.19  79.524  1 95.135  ? 77  A 1 c
ATOM 1103 H HB3  . SER Axp A 69  ? 33.939 23.125 80.877  1 94.67   ? 77  A 1 c
ATOM 1104 H HB2  . SER Axp A 69  ? 32.885 23.386 79.73   1 94.603  ? 77  A 1 c
ATOM 1105 H HG   . SER Axp A 69  ? 31.871 23.04  81.516  0 67.49   ? 77  A 1 c
ATOM 1106 N N    . ASN Axp A 70  ? 31.497 25.732 79.952  1 87.492  ? 78  A 1 .
ATOM 1107 C CA   . ASN Axp A 70  ? 30.332 26.57  79.787  1 91.352  ? 78  A 1 .
ATOM 1108 C C    . ASN Axp A 70  ? 29.146 25.87  80.431  1 92.272  ? 78  A 1 .
ATOM 1109 O O    . ASN Axp A 70  ? 28.253 26.518 80.973  1 85.853  ? 78  A 1 .
ATOM 1110 C CB   . ASN Axp A 70  ? 30.104 26.797 78.298  1 91.91   ? 78  A 1 .
ATOM 1111 C CG   . ASN Axp A 70  ? 30.593 28.147 77.861  1 82.331  ? 78  A 1 .
ATOM 1112 O OD1  . ASN Axp A 70  ? 29.801 29.092 77.89   1 88.451  ? 78  A 1 .
ATOM 1113 N ND2  . ASN Axp A 70  ? 31.843 28.247 77.43   1 77.654  ? 78  A 1 .
ATOM 1114 H H    . ASN Axp A 70  ? 31.458 24.881 79.625  1 89.495  ? 78  A 1 c
ATOM 1115 H HA   . ASN Axp A 70  ? 30.485 27.44  80.221  1 90.884  ? 78  A 1 c
ATOM 1116 H HB3  . ASN Axp A 70  ? 29.148 26.724 78.102  1 89.483  ? 78  A 1 c
ATOM 1117 H HB2  . ASN Axp A 70  ? 30.572 26.106 77.789  1 89.465  ? 78  A 1 c
ATOM 1118 H HD21 . ASN Axp A 70  ? 32.057 28.867 76.833  1 79.083  ? 78  A 1 c
ATOM 1119 H HD22 . ASN Axp A 70  ? 32.464 27.693 77.739  1 79.146  ? 78  A 1 c
ATOM 1120 N N    . GLN Axp A 71  ? 29.143 24.542 80.287  1 90.381  ? 79  A 1 .
ATOM 1121 C CA   . GLN Axp A 71  ? 28.088 23.716 80.822  1 81.012  ? 79  A 1 .
ATOM 1122 C C    . GLN Axp A 71  ? 28.195 23.761 82.338  1 76.525  ? 79  A 1 .
ATOM 1123 O O    . GLN Axp A 71  ? 27.187 23.819 83.021  1 89.674  ? 79  A 1 .
ATOM 1124 C CB   . GLN Axp A 71  ? 28.202 22.294 80.276  1 88.093  ? 79  A 1 .
ATOM 1125 C CG   . GLN Axp A 71  ? 27.066 21.361 80.698  1 87.566  ? 79  A 1 .
ATOM 1126 C CD   . GLN Axp A 71  ? 25.711 21.752 80.144  1 78.98   ? 79  A 1 .
ATOM 1127 O OE1  . GLN Axp A 71  ? 25.495 21.77  78.926  1 75.685  ? 79  A 1 .
ATOM 1128 N NE2  . GLN Axp A 71  ? 24.773 22.048 81.034  1 67.766  ? 79  A 1 .
ATOM 1129 H H    . GLN Axp A 71  ? 29.813 24.137 79.816  1 88.601  ? 79  A 1 c
ATOM 1130 H HA   . GLN Axp A 71  ? 27.218 24.104 80.55   1 83.197  ? 79  A 1 c
ATOM 1131 H HB3  . GLN Axp A 71  ? 29.053 21.912 80.577  1 86.307  ? 79  A 1 c
ATOM 1132 H HB2  . GLN Axp A 71  ? 28.228 22.337 79.297  1 86.307  ? 79  A 1 c
ATOM 1133 H HG3  . GLN Axp A 71  ? 27.011 21.343 81.677  1 85.455  ? 79  A 1 c
ATOM 1134 H HG2  . GLN Axp A 71  ? 27.272 20.45  80.398  1 85.591  ? 79  A 1 c
ATOM 1135 H HE21 . GLN Axp A 71  ? 24.316 22.805 80.961  1 71.039  ? 79  A 1 c
ATOM 1136 H HE22 . GLN Axp A 71  ? 24.605 21.489 81.702  1 71.039  ? 79  A 1 c
ATOM 1137 N N    . ILE Axp A 72  ? 29.418 23.731 82.861  1 81.732  ? 80  A 1 .
ATOM 1138 C CA   . ILE Axp A 72  ? 29.618 23.771 84.297  1 85.151  ? 80  A 1 .
ATOM 1139 C C    . ILE Axp A 72  ? 29.212 25.141 84.837  1 82.738  ? 80  A 1 .
ATOM 1140 O O    . ILE Axp A 72  ? 28.456 25.22  85.803  1 97.278  ? 80  A 1 .
ATOM 1141 C CB   . ILE Axp A 72  ? 31.068 23.409 84.658  1 87.682  ? 80  A 1 .
ATOM 1142 C CG1  . ILE Axp A 72  ? 31.378 21.946 84.282  1 91.206  ? 80  A 1 .
ATOM 1143 C CG2  . ILE Axp A 72  ? 31.336 23.707 86.133  1 86.958  ? 80  A 1 .
ATOM 1144 C CD1  . ILE Axp A 72  ? 32.842 21.55  84.399  1 95.797  ? 80  A 1 .
ATOM 1145 H H    . ILE Axp A 72  ? 30.147 23.678 82.313  1 81.476  ? 80  A 1 c
ATOM 1146 H HA   . ILE Axp A 72  ? 29.034 23.1   84.702  1 84.533  ? 80  A 1 c
ATOM 1147 H HB   . ILE Axp A 72  ? 31.656 23.981 84.128  1 87.865  ? 80  A 1 c
ATOM 1148 H HG12 . ILE Axp A 72  ? 31.09  21.794 83.359  1 91.305  ? 80  A 1 c
ATOM 1149 H HG13 . ILE Axp A 72  ? 30.848 21.358 84.857  1 91.422  ? 80  A 1 c
ATOM 1150 H HG21 . ILE Axp A 72  ? 32.094 23.183 86.44   1 87.269  ? 80  A 1 c
ATOM 1151 H HG22 . ILE Axp A 72  ? 30.553 23.476 86.661  1 87.157  ? 80  A 1 c
ATOM 1152 H HG23 . ILE Axp A 72  ? 31.534 24.652 86.245  1 87.165  ? 80  A 1 c
ATOM 1153 H HD11 . ILE Axp A 72  ? 33.403 22.306 84.143  1 94.587  ? 80  A 1 c
ATOM 1154 H HD12 . ILE Axp A 72  ? 33.025 20.795 83.809  1 94.452  ? 80  A 1 c
ATOM 1155 H HD13 . ILE Axp A 72  ? 33.041 21.297 85.321  1 94.414  ? 80  A 1 c
ATOM 1156 N N    . VAL Axp A 73  ? 29.723 26.216 84.23   1 77.146  ? 81  A 1 .
ATOM 1157 C CA   . VAL Axp A 73  ? 29.377 27.562 84.669  1 73.573  ? 81  A 1 .
ATOM 1158 C C    . VAL Axp A 73  ? 27.856 27.672 84.775  1 69.386  ? 81  A 1 .
ATOM 1159 O O    . VAL Axp A 73  ? 27.353 28.265 85.718  1 77.909  ? 81  A 1 .
ATOM 1160 C CB   . VAL Axp A 73  ? 29.943 28.681 83.77   1 72.803  ? 81  A 1 .
ATOM 1161 C CG1  . VAL Axp A 73  ? 29.425 30.066 84.139  1 72.553  ? 81  A 1 .
ATOM 1162 C CG2  . VAL Axp A 73  ? 31.455 28.708 83.796  1 73.645  ? 81  A 1 .
ATOM 1163 H H    . VAL Axp A 73  ? 30.298 26.112 83.527  1 77.633  ? 81  A 1 c
ATOM 1164 H HA   . VAL Axp A 73  ? 29.748 27.683 85.565  1 73.338  ? 81  A 1 c
ATOM 1165 H HB   . VAL Axp A 73  ? 29.658 28.485 82.847  1 73.056  ? 81  A 1 c
ATOM 1166 H HG11 . VAL Axp A 73  ? 29.346 30.138 85.105  1 72.61   ? 81  A 1 c
ATOM 1167 H HG12 . VAL Axp A 73  ? 28.553 30.207 83.732  1 72.61   ? 81  A 1 c
ATOM 1168 H HG13 . VAL Axp A 73  ? 30.043 30.743 83.815  1 72.631  ? 81  A 1 c
ATOM 1169 H HG21 . VAL Axp A 73  ? 31.78  29.359 83.152  1 73.456  ? 81  A 1 c
ATOM 1170 H HG22 . VAL Axp A 73  ? 31.8   27.829 83.569  1 73.679  ? 81  A 1 c
ATOM 1171 H HG23 . VAL Axp A 73  ? 31.76  28.954 84.686  1 73.461  ? 81  A 1 c
ATOM 1172 N N    . ASP Axp A 74  ? 27.137 27.101 83.805  1 68.769  ? 82  A 1 .
ATOM 1173 C CA   . ASP Axp A 74  ? 25.686 27.207 83.746  1 71.12   ? 82  A 1 .
ATOM 1174 C C    . ASP Axp A 74  ? 25.017 26.414 84.869  1 67.051  ? 82  A 1 .
ATOM 1175 O O    . ASP Axp A 74  ? 24.188 26.947 85.605  1 61.682  ? 82  A 1 .
ATOM 1176 C CB   . ASP Axp A 74  ? 25.171 26.865 82.358  1 73.268  ? 82  A 1 .
ATOM 1177 C CG   . ASP Axp A 74  ? 25.297 28.039 81.408  1 86.521  ? 82  A 1 .
ATOM 1178 O OD1  . ASP Axp A 74  ? 24.717 29.079 81.741  1 86.622  ? 82  A 1 .
ATOM 1179 O OD2  . ASP Axp A 74  ? 26.036 27.934 80.41   1 96.344  ? 82  A 1 .
ATOM 1180 H H    . ASP Axp A 74  ? 27.568 26.638 83.146  1 69.658  ? 82  A 1 c
ATOM 1181 H HA   . ASP Axp A 74  ? 25.457 28.153 83.888  1 70.436  ? 82  A 1 c
ATOM 1182 H HB3  . ASP Axp A 74  ? 24.226 26.61  82.415  1 75.577  ? 82  A 1 c
ATOM 1183 H HB2  . ASP Axp A 74  ? 25.674 26.106 81.995  1 75.67   ? 82  A 1 c
ATOM 1184 N N    . ASP Axp A 75  ? 25.392 25.142 85.005  1 66.172  ? 83  A 1 .
ATOM 1185 C CA   . ASP Axp A 75  ? 24.809 24.294 86.025  1 65.202  ? 83  A 1 .
ATOM 1186 C C    . ASP Axp A 75  ? 25.104 24.859 87.407  1 63.99   ? 83  A 1 .
ATOM 1187 O O    . ASP Axp A 75  ? 24.193 24.933 88.228  1 71.395  ? 83  A 1 .
ATOM 1188 C CB   . ASP Axp A 75  ? 25.242 22.849 85.859  1 67.075  ? 83  A 1 .
ATOM 1189 C CG   . ASP Axp A 75  ? 24.671 22.18  84.619  1 66.719  ? 83  A 1 .
ATOM 1190 O OD1  . ASP Axp A 75  ? 23.46  22.336 84.339  1 75.17   ? 83  A 1 .
ATOM 1191 O OD2  . ASP Axp A 75  ? 25.438 21.506 83.944  1 62.278  ? 83  A 1 .
ATOM 1192 H H    . ASP Axp A 75  ? 26.025 24.792 84.446  1 66.216  ? 83  A 1 c
ATOM 1193 H HA   . ASP Axp A 75  ? 23.833 24.307 85.9    1 65.586  ? 83  A 1 c
ATOM 1194 H HB3  . ASP Axp A 75  ? 24.956 22.338 86.645  1 66.543  ? 83  A 1 c
ATOM 1195 H HB2  . ASP Axp A 75  ? 26.22  22.814 85.811  1 66.531  ? 83  A 1 c
ATOM 1196 N N    . TRP Axp A 76  ? 26.363 25.249 87.65   1 64.09   ? 84  A 1 .
ATOM 1197 C CA   . TRP Axp A 76  ? 26.773 25.789 88.943  1 66.013  ? 84  A 1 .
ATOM 1198 C C    . TRP Axp A 76  ? 25.953 27.021 89.291  1 65.996  ? 84  A 1 .
ATOM 1199 O O    . TRP Axp A 76  ? 25.392 27.123 90.389  1 58.033  ? 84  A 1 .
ATOM 1200 C CB   . TRP Axp A 76  ? 28.264 26.14  88.937  1 63.43   ? 84  A 1 .
ATOM 1201 C CG   . TRP Axp A 76  ? 28.696 27.168 89.954  1 57.737  ? 84  A 1 .
ATOM 1202 C CD1  . TRP Axp A 76  ? 29.02  28.477 89.728  1 53.299  ? 84  A 1 .
ATOM 1203 C CD2  . TRP Axp A 76  ? 28.926 26.931 91.358  1 51.929  ? 84  A 1 .
ATOM 1204 N NE1  . TRP Axp A 76  ? 29.423 29.076 90.893  1 53.975  ? 84  A 1 .
ATOM 1205 C CE2  . TRP Axp A 76  ? 29.375 28.152 91.91   1 56.318  ? 84  A 1 .
ATOM 1206 C CE3  . TRP Axp A 76  ? 28.786 25.815 92.187  1 49.245  ? 84  A 1 .
ATOM 1207 C CZ2  . TRP Axp A 76  ? 29.676 28.278 93.266  1 56.785  ? 84  A 1 .
ATOM 1208 C CZ3  . TRP Axp A 76  ? 29.09  25.937 93.52   1 51.967  ? 84  A 1 .
ATOM 1209 C CH2  . TRP Axp A 76  ? 29.53  27.151 94.047  1 57.95   ? 84  A 1 .
ATOM 1210 H H    . TRP Axp A 76  ? 26.99  25.169 86.989  1 64.487  ? 84  A 1 c
ATOM 1211 H HA   . TRP Axp A 76  ? 26.613 25.101 89.637  1 65.416  ? 84  A 1 c
ATOM 1212 H HB3  . TRP Axp A 76  ? 28.499 26.469 88.044  1 62.81   ? 84  A 1 c
ATOM 1213 H HB2  . TRP Axp A 76  ? 28.775 25.316 89.086  1 62.668  ? 84  A 1 c
ATOM 1214 H HD1  . TRP Axp A 76  ? 28.981 28.912 88.891  1 54.468  ? 84  A 1 c
ATOM 1215 H HE1  . TRP Axp A 76  ? 29.66  29.912 90.976  1 54.375  ? 84  A 1 c
ATOM 1216 H HE3  . TRP Axp A 76  ? 28.486 24.994 91.835  1 50.631  ? 84  A 1 c
ATOM 1217 H HZ2  . TRP Axp A 76  ? 29.98  29.093 93.627  1 56.835  ? 84  A 1 c
ATOM 1218 H HZ3  . TRP Axp A 76  ? 28.999 25.189 94.089  1 52.678  ? 84  A 1 c
ATOM 1219 H HH2  . TRP Axp A 76  ? 29.732 27.204 94.964  1 56.322  ? 84  A 1 c
ATOM 1220 N N    . LEU Axp A 77  ? 25.905 27.931 88.314  1 63.073  ? 85  A 1 .
ATOM 1221 C CA   . LEU Axp A 77  ? 25.198 29.19  88.464  1 59.689  ? 85  A 1 .
ATOM 1222 C C    . LEU Axp A 77  ? 23.738 28.895 88.789  1 63.681  ? 85  A 1 .
ATOM 1223 O O    . LEU Axp A 77  ? 23.155 29.515 89.679  1 68.616  ? 85  A 1 .
ATOM 1224 C CB   . LEU Axp A 77  ? 25.366 30.001 87.181  1 50.75   ? 85  A 1 .
ATOM 1225 C CG   . LEU Axp A 77  ? 25.851 31.441 87.336  1 49.416  ? 85  A 1 .
ATOM 1226 C CD1  . LEU Axp A 77  ? 26.697 31.694 88.563  1 50.029  ? 85  A 1 .
ATOM 1227 C CD2  . LEU Axp A 77  ? 26.649 31.825 86.092  1 53.58   ? 85  A 1 .
ATOM 1228 H H    . LEU Axp A 77  ? 26.334 27.758 87.525  1 62.788  ? 85  A 1 c
ATOM 1229 H HA   . LEU Axp A 77  ? 25.595 29.678 89.224  1 59.025  ? 85  A 1 c
ATOM 1230 H HB3  . LEU Axp A 77  ? 24.499 30.018 86.714  1 52.475  ? 85  A 1 c
ATOM 1231 H HB2  . LEU Axp A 77  ? 25.993 29.526 86.593  1 52.695  ? 85  A 1 c
ATOM 1232 H HG   . LEU Axp A 77  ? 25.055 32.031 87.384  1 50.602  ? 85  A 1 c
ATOM 1233 H HD11 . LEU Axp A 77  ? 26.124 31.762 89.345  1 50.023  ? 85  A 1 c
ATOM 1234 H HD12 . LEU Axp A 77  ? 27.191 32.523 88.455  1 50.062  ? 85  A 1 c
ATOM 1235 H HD13 . LEU Axp A 77  ? 27.324 30.961 88.684  1 50.022  ? 85  A 1 c
ATOM 1236 H HD21 . LEU Axp A 77  ? 26.05  31.889 85.329  1 52.359  ? 85  A 1 c
ATOM 1237 H HD22 . LEU Axp A 77  ? 27.323 31.147 85.915  1 52.354  ? 85  A 1 c
ATOM 1238 H HD23 . LEU Axp A 77  ? 27.085 32.68  86.232  1 52.491  ? 85  A 1 c
ATOM 1239 N N    . SER Axp A 78  ? 23.177 27.905 88.08   1 68.729  ? 86  A 1 .
ATOM 1240 C CA   . SER Axp A 78  ? 21.804 27.468 88.286  1 65.936  ? 86  A 1 .
ATOM 1241 C C    . SER Axp A 78  ? 21.626 26.819 89.664  1 62.964  ? 86  A 1 .
ATOM 1242 O O    . SER Axp A 78  ? 20.577 26.928 90.304  1 58.658  ? 86  A 1 .
ATOM 1243 C CB   . SER Axp A 78  ? 21.382 26.537 87.195  1 58.546  ? 86  A 1 .
ATOM 1244 O OG   . SER Axp A 78  ? 20.089 26.051 87.501  1 64.668  ? 86  A 1 .
ATOM 1245 H H    . SER Axp A 78  ? 23.672 27.49  87.433  1 66.681  ? 86  A 1 c
ATOM 1246 H HA   . SER Axp A 78  ? 21.222 28.27  88.249  1 64.475  ? 86  A 1 c
ATOM 1247 H HB3  . SER Axp A 78  ? 22.01  25.793 87.133  1 61.67   ? 86  A 1 c
ATOM 1248 H HB2  . SER Axp A 78  ? 21.366 27.012 86.343  1 61.606  ? 86  A 1 c
ATOM 1249 H HG   . SER Axp A 78  ? 19.846 25.995 86.623  0 51.56   ? 86  A 1 c
ATOM 1250 N N    . LEU Axp A 79  ? 22.66  26.116 90.12   1 59.599  ? 87  A 1 .
ATOM 1251 C CA   . LEU Axp A 79  ? 22.584 25.454 91.405  1 57.475  ? 87  A 1 .
ATOM 1252 C C    . LEU Axp A 79  ? 22.463 26.52  92.487  1 55.441  ? 87  A 1 .
ATOM 1253 O O    . LEU Axp A 79  ? 21.725 26.335 93.458  1 53.004  ? 87  A 1 .
ATOM 1254 C CB   . LEU Axp A 79  ? 23.785 24.534 91.626  1 54.768  ? 87  A 1 .
ATOM 1255 C CG   . LEU Axp A 79  ? 23.969 24.037 93.065  1 54.638  ? 87  A 1 .
ATOM 1256 C CD1  . LEU Axp A 79  ? 22.786 23.252 93.564  1 49.223  ? 87  A 1 .
ATOM 1257 C CD2  . LEU Axp A 79  ? 25.235 23.238 93.21   1 58.231  ? 87  A 1 .
ATOM 1258 H H    . LEU Axp A 79  ? 23.419 26.032 89.618  1 59.95   ? 87  A 1 c
ATOM 1259 H HA   . LEU Axp A 79  ? 21.757 24.906 91.418  1 57.002  ? 87  A 1 c
ATOM 1260 H HB3  . LEU Axp A 79  ? 24.6   25.016 91.357  1 55.389  ? 87  A 1 c
ATOM 1261 H HB2  . LEU Axp A 79  ? 23.687 23.752 91.035  1 55.353  ? 87  A 1 c
ATOM 1262 H HG   . LEU Axp A 79  ? 24.062 24.832 93.649  1 54.252  ? 87  A 1 c
ATOM 1263 H HD11 . LEU Axp A 79  ? 22.001 23.822 93.584  1 51.238  ? 87  A 1 c
ATOM 1264 H HD12 . LEU Axp A 79  ? 22.97  22.92  94.458  1 51.215  ? 87  A 1 c
ATOM 1265 H HD13 . LEU Axp A 79  ? 22.622 22.5   92.97   1 50.95   ? 87  A 1 c
ATOM 1266 H HD21 . LEU Axp A 79  ? 26.002 23.815 93.059  1 57.22   ? 87  A 1 c
ATOM 1267 H HD22 . LEU Axp A 79  ? 25.24  22.519 92.558  1 57.561  ? 87  A 1 c
ATOM 1268 H HD23 . LEU Axp A 79  ? 25.283 22.864 94.105  1 57.156  ? 87  A 1 c
ATOM 1269 N N    . VAL Axp A 80  ? 23.199 27.622 92.294  1 50.003  ? 88  A 1 .
ATOM 1270 C CA   . VAL Axp A 80  ? 23.22  28.705 93.254  1 47.85   ? 88  A 1 .
ATOM 1271 C C    . VAL Axp A 80  ? 21.867 29.404 93.253  1 56.162  ? 88  A 1 .
ATOM 1272 O O    . VAL Axp A 80  ? 21.363 29.766 94.318  1 58.868  ? 88  A 1 .
ATOM 1273 C CB   . VAL Axp A 80  ? 24.325 29.712 92.932  1 48.995  ? 88  A 1 .
ATOM 1274 C CG1  . VAL Axp A 80  ? 24.4   30.756 94.022  1 53.103  ? 88  A 1 .
ATOM 1275 C CG2  . VAL Axp A 80  ? 25.679 29.05  92.727  1 50.326  ? 88  A 1 .
ATOM 1276 H H    . VAL Axp A 80  ? 23.702 27.698 91.535  1 50.877  ? 88  A 1 c
ATOM 1277 H HA   . VAL Axp A 80  ? 23.382 28.331 94.142  1 49.975  ? 88  A 1 c
ATOM 1278 H HB   . VAL Axp A 80  ? 24.076 30.164 92.093  1 49.883  ? 88  A 1 c
ATOM 1279 H HG11 . VAL Axp A 80  ? 24.355 30.324 94.885  1 51.627  ? 88  A 1 c
ATOM 1280 H HG12 . VAL Axp A 80  ? 23.657 31.376 93.932  1 51.807  ? 88  A 1 c
ATOM 1281 H HG13 . VAL Axp A 80  ? 25.236 31.244 93.948  1 51.749  ? 88  A 1 c
ATOM 1282 H HG21 . VAL Axp A 80  ? 26.325 29.425 93.35   1 49.982  ? 88  A 1 c
ATOM 1283 H HG22 . VAL Axp A 80  ? 25.982 29.208 91.817  1 49.989  ? 88  A 1 c
ATOM 1284 H HG23 . VAL Axp A 80  ? 25.604 28.094 92.881  1 49.982  ? 88  A 1 c
ATOM 1285 N N    . LYS Axp A 81  ? 21.28  29.59  92.059  1 59.811  ? 89  A 1 .
ATOM 1286 C CA   . LYS Axp A 81  ? 19.985 30.251 91.954  1 62.418  ? 89  A 1 .
ATOM 1287 C C    . LYS Axp A 81  ? 18.941 29.518 92.798  1 58.798  ? 89  A 1 .
ATOM 1288 O O    . LYS Axp A 81  ? 18.093 30.134 93.419  1 70.79   ? 89  A 1 .
ATOM 1289 C CB   . LYS Axp A 81  ? 19.454 30.406 90.523  1 63.8    ? 89  A 1 .
ATOM 1290 C CG   . LYS Axp A 81  ? 18.126 31.188 90.415  1 69.114  ? 89  A 1 .
ATOM 1291 C CD   . LYS Axp A 81  ? 17.942 31.827 89.036  1 96.371  ? 89  A 1 .
ATOM 1292 C CE   . LYS Axp A 81  ? 17.068 33.057 88.911  1 98.889  ? 89  A 1 .
ATOM 1293 N NZ   . LYS Axp A 81  ? 15.658 32.673 88.832  1 90.703  ? 89  A 1 .
ATOM 1294 H H    . LYS Axp A 81  ? 21.697 29.307 91.296  1 59.326  ? 89  A 1 c
ATOM 1295 H HA   . LYS Axp A 81  ? 20.086 31.164 92.327  1 61.474  ? 89  A 1 c
ATOM 1296 H HB3  . LYS Axp A 81  ? 19.322 29.513 90.137  1 64.701  ? 89  A 1 c
ATOM 1297 H HB2  . LYS Axp A 81  ? 20.133 30.866 89.985  1 64.951  ? 89  A 1 c
ATOM 1298 H HG3  . LYS Axp A 81  ? 18.113 31.889 91.102  1 73.228  ? 89  A 1 c
ATOM 1299 H HG2  . LYS Axp A 81  ? 17.38  30.573 90.589  1 73.173  ? 89  A 1 c
ATOM 1300 H HD3  . LYS Axp A 81  ? 17.583 31.136 88.437  1 89.744  ? 89  A 1 c
ATOM 1301 H HD2  . LYS Axp A 81  ? 18.833 32.052 88.69   1 89.414  ? 89  A 1 c
ATOM 1302 H HE3  . LYS Axp A 81  ? 17.31  33.553 88.108  1 96.321  ? 89  A 1 c
ATOM 1303 H HE2  . LYS Axp A 81  ? 17.2   33.636 89.682  1 96.322  ? 89  A 1 c
ATOM 1304 H HZ1  . LYS Axp A 81  ? 15.442 32.151 89.541  1 93.161  ? 89  A 1 c
ATOM 1305 H HZ2  . LYS Axp A 81  ? 15.506 32.213 88.066  1 93.129  ? 89  A 1 c
ATOM 1306 H HZ3  . LYS Axp A 81  ? 15.138 33.415 88.841  1 93.147  ? 89  A 1 c
ATOM 1307 N N    . ILE Axp A 82  ? 18.99  28.19  92.81   1 58.69   ? 90  A 1 .
ATOM 1308 C CA   . ILE Axp A 82  ? 17.981 27.39  93.48   1 56.528  ? 90  A 1 .
ATOM 1309 C C    . ILE Axp A 82  ? 18.342 27.175 94.946  1 51.042  ? 90  A 1 .
ATOM 1310 O O    . ILE Axp A 82  ? 17.65  27.639 95.824  1 49.614  ? 90  A 1 .
ATOM 1311 C CB   . ILE Axp A 82  ? 17.795 26.044 92.759  1 60.805  ? 90  A 1 .
ATOM 1312 C CG1  . ILE Axp A 82  ? 17.373 26.226 91.284  1 59.18   ? 90  A 1 .
ATOM 1313 C CG2  . ILE Axp A 82  ? 16.837 25.142 93.544  1 60.269  ? 90  A 1 .
ATOM 1314 C CD1  . ILE Axp A 82  ? 16.108 27.043 91.054  1 58.526  ? 90  A 1 .
ATOM 1315 H H    . ILE Axp A 82  ? 19.673 27.762 92.379  1 58.263  ? 90  A 1 c
ATOM 1316 H HA   . ILE Axp A 82  ? 17.134 27.873 93.445  1 56.691  ? 90  A 1 c
ATOM 1317 H HB   . ILE Axp A 82  ? 18.667 25.602 92.751  1 59.575  ? 90  A 1 c
ATOM 1318 H HG12 . ILE Axp A 82  ? 17.243 25.34  90.889  1 59.396  ? 90  A 1 c
ATOM 1319 H HG13 . ILE Axp A 82  ? 18.108 26.656 90.803  1 59.384  ? 90  A 1 c
ATOM 1320 H HG21 . ILE Axp A 82  ? 16.367 24.553 92.93   1 60.382  ? 90  A 1 c
ATOM 1321 H HG22 . ILE Axp A 82  ? 16.192 25.687 94.023  1 60.336  ? 90  A 1 c
ATOM 1322 H HG23 . ILE Axp A 82  ? 17.342 24.606 94.179  1 60.356  ? 90  A 1 c
ATOM 1323 H HD11 . ILE Axp A 82  ? 15.353 26.437 90.935  1 58.712  ? 90  A 1 c
ATOM 1324 H HD12 . ILE Axp A 82  ? 16.22  27.578 90.246  1 58.711  ? 90  A 1 c
ATOM 1325 H HD13 . ILE Axp A 82  ? 15.934 27.634 91.808  1 58.686  ? 90  A 1 c
ATOM 1326 N N    . LYS Axp A 83  ? 19.408 26.439 95.221  1 58.272  ? 91  A 1 .
ATOM 1327 C CA   . LYS Axp A 83  ? 19.707 25.982 96.572  1 70.915  ? 91  A 1 .
ATOM 1328 C C    . LYS Axp A 83  ? 19.417 26.997 97.685  1 66.045  ? 91  A 1 .
ATOM 1329 O O    . LYS Axp A 83  ? 18.824 26.645 98.705  1 63.115  ? 91  A 1 .
ATOM 1330 C CB   . LYS Axp A 83  ? 21.154 25.478 96.639  1 73.648  ? 91  A 1 .
ATOM 1331 C CG   . LYS Axp A 83  ? 21.246 24.001 96.339  1 81.536  ? 91  A 1 .
ATOM 1332 C CD   . LYS Axp A 83  ? 20.406 23.17  97.295  1 86.328  ? 91  A 1 .
ATOM 1333 C CE   . LYS Axp A 83  ? 20.081 21.824 96.738  1 89.211  ? 91  A 1 .
ATOM 1334 N NZ   . LYS Axp A 83  ? 19.485 21.071 97.841  1 101.366 ? 91  A 1 .
ATOM 1335 H H    . LYS Axp A 83  ? 19.978 26.212 94.544  1 59.213  ? 91  A 1 c
ATOM 1336 H HA   . LYS Axp A 83  ? 19.119 25.208 96.74   1 68.105  ? 91  A 1 c
ATOM 1337 H HB3  . LYS Axp A 83  ? 21.516 25.642 97.536  1 74.632  ? 91  A 1 c
ATOM 1338 H HB2  . LYS Axp A 83  ? 21.705 25.971 95.994  1 74.367  ? 91  A 1 c
ATOM 1339 H HG3  . LYS Axp A 83  ? 22.185 23.721 96.403  1 80.322  ? 91  A 1 c
ATOM 1340 H HG2  . LYS Axp A 83  ? 20.937 23.846 95.422  1 80.168  ? 91  A 1 c
ATOM 1341 H HD3  . LYS Axp A 83  ? 19.571 23.637 97.503  1 85.634  ? 91  A 1 c
ATOM 1342 H HD2  . LYS Axp A 83  ? 20.903 23.056 98.135  1 85.976  ? 91  A 1 c
ATOM 1343 H HE3  . LYS Axp A 83  ? 20.886 21.374 96.425  1 91.254  ? 91  A 1 c
ATOM 1344 H HE2  . LYS Axp A 83  ? 19.444 21.897 96.004  1 91.254  ? 91  A 1 c
ATOM 1345 H HZ1  . LYS Axp A 83  ? 18.787 21.53  98.193  1 97.26   ? 91  A 1 c
ATOM 1346 H HZ2  . LYS Axp A 83  ? 20.103 20.926 98.488  1 97.263  ? 91  A 1 c
ATOM 1347 H HZ3  . LYS Axp A 83  ? 19.187 20.272 97.536  1 97.382  ? 91  A 1 c
ATOM 1348 N N    . PHE Axp A 84  ? 19.883 28.239 97.529  1 59.82   ? 92  A 1 .
ATOM 1349 C CA   . PHE Axp A 84  ? 19.786 29.225 98.591  1 46.34   ? 92  A 1 .
ATOM 1350 C C    . PHE Axp A 84  ? 18.382 29.815 98.686  1 45.095  ? 92  A 1 .
ATOM 1351 O O    . PHE Axp A 84  ? 18.001 30.215 99.771  1 49.788  ? 92  A 1 .
ATOM 1352 C CB   . PHE Axp A 84  ? 20.823 30.314 98.352  1 47.866  ? 92  A 1 .
ATOM 1353 C CG   . PHE Axp A 84  ? 22.262 29.823 98.402  1 47.526  ? 92  A 1 .
ATOM 1354 C CD1  . PHE Axp A 84  ? 22.734 29.135 99.514  1 42.644  ? 92  A 1 .
ATOM 1355 C CD2  . PHE Axp A 84  ? 23.121 30.021 97.32   1 46.797  ? 92  A 1 .
ATOM 1356 C CE1  . PHE Axp A 84  ? 24.04  28.703 99.571  1 42.389  ? 92  A 1 .
ATOM 1357 C CE2  . PHE Axp A 84  ? 24.424 29.564 97.374  1 44.651  ? 92  A 1 .
ATOM 1358 C CZ   . PHE Axp A 84  ? 24.881 28.916 98.502  1 45.269  ? 92  A 1 .
ATOM 1359 H H    . PHE Axp A 84  ? 20.272 28.479 96.737  1 57.636  ? 92  A 1 c
ATOM 1360 H HA   . PHE Axp A 84  ? 19.995 28.777 99.453  1 48.846  ? 92  A 1 c
ATOM 1361 H HB3  . PHE Axp A 84  ? 20.701 31.013 99.031  1 47.408  ? 92  A 1 c
ATOM 1362 H HB2  . PHE Axp A 84  ? 20.654 30.717 97.471  1 47.478  ? 92  A 1 c
ATOM 1363 H HD1  . PHE Axp A 84  ? 22.165 29.004 100.255 1 43.807  ? 92  A 1 c
ATOM 1364 H HD2  . PHE Axp A 84  ? 22.811 30.476 96.553  1 46.448  ? 92  A 1 c
ATOM 1365 H HE1  . PHE Axp A 84  ? 24.352 28.246 100.336 1 43.173  ? 92  A 1 c
ATOM 1366 H HE2  . PHE Axp A 84  ? 25.007 29.711 96.649  1 45.37   ? 92  A 1 c
ATOM 1367 H HZ   . PHE Axp A 84  ? 25.77  28.601 98.534  1 44.455  ? 92  A 1 c
ATOM 1368 N N    . ARG Axp A 85  ? 17.622 29.897 97.581  1 46.595  ? 93  A 1 .
ATOM 1369 C CA   . ARG Axp A 85  ? 16.183 30.15  97.654  1 48.027  ? 93  A 1 .
ATOM 1370 C C    . ARG Axp A 85  ? 15.495 28.953 98.322  1 52.593  ? 93  A 1 .
ATOM 1371 O O    . ARG Axp A 85  ? 14.824 29.109 99.344  1 49.643  ? 93  A 1 .
ATOM 1372 C CB   . ARG Axp A 85  ? 15.497 30.373 96.299  1 51.929  ? 93  A 1 .
ATOM 1373 C CG   . ARG Axp A 85  ? 15.783 31.657 95.523  1 60.997  ? 93  A 1 .
ATOM 1374 C CD   . ARG Axp A 85  ? 14.826 31.886 94.326  1 71.532  ? 93  A 1 .
ATOM 1375 N NE   . ARG Axp A 85  ? 15.271 33.028 93.514  1 92.947  ? 93  A 1 .
ATOM 1376 C CZ   . ARG Axp A 85  ? 14.508 33.84  92.754  1 120.43  ? 93  A 1 .
ATOM 1377 N NH1  . ARG Axp A 85  ? 13.182 33.747 92.764  1 128.598 ? 93  A 1 .
ATOM 1378 N NH2  . ARG Axp A 85  ? 15.083 34.78  92.007  1 118.19  ? 93  A 1 .
ATOM 1379 H H    . ARG Axp A 85  ? 18.011 29.8   96.76   1 46.626  ? 93  A 1 c
ATOM 1380 H HA   . ARG Axp A 85  ? 16.037 30.952 98.217  1 49.218  ? 93  A 1 c
ATOM 1381 H HB3  . ARG Axp A 85  ? 14.528 30.325 96.448  1 52.938  ? 93  A 1 c
ATOM 1382 H HB2  . ARG Axp A 85  ? 15.733 29.616 95.722  1 52.97   ? 93  A 1 c
ATOM 1383 H HG3  . ARG Axp A 85  ? 16.706 31.628 95.188  1 61.156  ? 93  A 1 c
ATOM 1384 H HG2  . ARG Axp A 85  ? 15.713 32.422 96.134  1 60.98   ? 93  A 1 c
ATOM 1385 H HD3  . ARG Axp A 85  ? 13.922 32.057 94.66   1 73.716  ? 93  A 1 c
ATOM 1386 H HD2  . ARG Axp A 85  ? 14.799 31.082 93.769  1 73.539  ? 93  A 1 c
ATOM 1387 H HE   . ARG Axp A 85  ? 16.125 33.204 93.519  1 92.759  ? 93  A 1 c
ATOM 1388 H HH11 . ARG Axp A 85  ? 12.802 32.95  92.712  1 125.588 ? 93  A 1 c
ATOM 1389 H HH12 . ARG Axp A 85  ? 12.684 34.466 92.816  1 125.914 ? 93  A 1 c
ATOM 1390 H HH21 . ARG Axp A 85  ? 15.768 35.238 92.327  1 118.636 ? 93  A 1 c
ATOM 1391 H HH22 . ARG Axp A 85  ? 14.776 34.942 91.194  1 118.819 ? 93  A 1 c
ATOM 1392 N N    . GLU Axp A 86  ? 15.726 27.757 97.745  1 57.584  ? 94  A 1 .
ATOM 1393 C CA   . GLU Axp A 86  ? 15.121 26.488 98.133  1 55.242  ? 94  A 1 .
ATOM 1394 C C    . GLU Axp A 86  ? 15.244 26.238 99.627  1 53.404  ? 94  A 1 .
ATOM 1395 O O    . GLU Axp A 86  ? 14.293 25.801 100.254 1 57.963  ? 94  A 1 .
ATOM 1396 C CB   . GLU Axp A 86  ? 15.822 25.345 97.401  1 63.687  ? 94  A 1 .
ATOM 1397 C CG   . GLU Axp A 86  ? 15.259 23.948 97.665  1 70.907  ? 94  A 1 .
ATOM 1398 C CD   . GLU Axp A 86  ? 15.802 22.884 96.698  1 80.51   ? 94  A 1 .
ATOM 1399 O OE1  . GLU Axp A 86  ? 15.297 22.767 95.556  1 74.644  ? 94  A 1 .
ATOM 1400 O OE2  . GLU Axp A 86  ? 16.773 22.182 97.046  1 86.502  ? 94  A 1 .
ATOM 1401 H H    . GLU Axp A 86  ? 16.315 27.741 97.046  1 55.765  ? 94  A 1 c
ATOM 1402 H HA   . GLU Axp A 86  ? 14.161 26.505 97.885  1 56.79   ? 94  A 1 c
ATOM 1403 H HB3  . GLU Axp A 86  ? 16.768 25.348 97.654  1 63.133  ? 94  A 1 c
ATOM 1404 H HB2  . GLU Axp A 86  ? 15.774 25.517 96.437  1 63.202  ? 94  A 1 c
ATOM 1405 H HG3  . GLU Axp A 86  ? 14.282 23.975 97.585  1 71.217  ? 94  A 1 c
ATOM 1406 H HG2  . GLU Axp A 86  ? 15.477 23.678 98.58   1 71.194  ? 94  A 1 c
ATOM 1407 N N    . GLU Axp A 87  ? 16.427 26.481 100.185 1 57.464  ? 95  A 1 .
ATOM 1408 C CA   . GLU Axp A 87  ? 16.713 26.091 101.555 1 61.021  ? 95  A 1 .
ATOM 1409 C C    . GLU Axp A 87  ? 17.458 27.228 102.217 1 56.138  ? 95  A 1 .
ATOM 1410 O O    . GLU Axp A 87  ? 18.684 27.225 102.301 1 50.858  ? 95  A 1 .
ATOM 1411 C CB   . GLU Axp A 87  ? 17.615 24.865 101.659 1 73.757  ? 95  A 1 .
ATOM 1412 C CG   . GLU Axp A 87  ? 16.966 23.574 101.18  1 80.521  ? 95  A 1 .
ATOM 1413 C CD   . GLU Axp A 87  ? 17.976 22.454 101.135 1 81.307  ? 95  A 1 .
ATOM 1414 O OE1  . GLU Axp A 87  ? 18.737 22.332 102.127 1 71.524  ? 95  A 1 .
ATOM 1415 O OE2  . GLU Axp A 87  ? 17.976 21.714 100.132 1 87.21   ? 95  A 1 .
ATOM 1416 H H    . GLU Axp A 87  ? 17.081 26.896 99.699  1 57.197  ? 95  A 1 c
ATOM 1417 H HA   . GLU Axp A 87  ? 15.864 25.923 102.034 1 61.321  ? 95  A 1 c
ATOM 1418 H HB3  . GLU Axp A 87  ? 17.886 24.751 102.594 1 71.79   ? 95  A 1 c
ATOM 1419 H HB2  . GLU Axp A 87  ? 18.425 25.021 101.13  1 71.829  ? 95  A 1 c
ATOM 1420 H HG3  . GLU Axp A 87  ? 16.595 23.707 100.284 1 78.954  ? 95  A 1 c
ATOM 1421 H HG2  . GLU Axp A 87  ? 16.237 23.327 101.787 1 79.084  ? 95  A 1 c
ATOM 1422 N N    . PRO Axp A 88  ? 16.705 28.219 102.709 1 57.65   ? 96  A 1 .
ATOM 1423 C CA   . PRO Axp A 88  ? 17.285 29.435 103.258 1 54.716  ? 96  A 1 .
ATOM 1424 C C    . PRO Axp A 88  ? 18.398 29.209 104.273 1 51.887  ? 96  A 1 .
ATOM 1425 O O    . PRO Axp A 88  ? 18.249 28.441 105.211 1 51.294  ? 96  A 1 .
ATOM 1426 C CB   . PRO Axp A 88  ? 16.083 30.095 103.911 1 57.349  ? 96  A 1 .
ATOM 1427 C CG   . PRO Axp A 88  ? 14.941 29.646 103.023 1 60.261  ? 96  A 1 .
ATOM 1428 C CD   . PRO Axp A 88  ? 15.237 28.212 102.721 1 57.021  ? 96  A 1 .
ATOM 1429 H HA   . PRO Axp A 88  ? 17.614 29.998 102.527 1 55.292  ? 96  A 1 c
ATOM 1430 H HB3  . PRO Axp A 88  ? 16.17  31.068 103.909 1 57.371  ? 96  A 1 c
ATOM 1431 H HB2  . PRO Axp A 88  ? 15.961 29.78  104.828 1 57.319  ? 96  A 1 c
ATOM 1432 H HG3  . PRO Axp A 88  ? 14.91  30.173 102.2   1 58.841  ? 96  A 1 c
ATOM 1433 H HG2  . PRO Axp A 88  ? 14.084 29.73  103.486 1 58.842  ? 96  A 1 c
ATOM 1434 H HD3  . PRO Axp A 88  ? 14.893 27.617 103.415 1 57.909  ? 96  A 1 c
ATOM 1435 H HD2  . PRO Axp A 88  ? 14.876 27.95  101.853 1 57.906  ? 96  A 1 c
ATOM 1436 N N    . GLY Axp A 89  ? 19.513 29.916 104.1   1 62.076  ? 97  A 1 .
ATOM 1437 C CA   . GLY Axp A 89  ? 20.552 29.92  105.121 1 70.103  ? 97  A 1 .
ATOM 1438 C C    . GLY Axp A 89  ? 21.349 28.613 105.183 1 60.49   ? 97  A 1 .
ATOM 1439 O O    . GLY Axp A 89  ? 22.038 28.37  106.17  1 47.733  ? 97  A 1 .
ATOM 1440 H H    . GLY Axp A 89  ? 19.635 30.404 103.337 1 61.015  ? 97  A 1 c
ATOM 1441 H HA3  . GLY Axp A 89  ? 20.133 30.085 105.998 1 65.725  ? 97  A 1 c
ATOM 1442 H HA2  . GLY Axp A 89  ? 21.165 30.666 104.942 1 65.859  ? 97  A 1 c
ATOM 1443 N N    . CYS Axp A 90  ? 21.262 27.82  104.108 1 49.912  ? 98  A 1 .
ATOM 1444 C CA   . CYS Axp A 90  ? 22.09  26.652 103.904 1 51.743  ? 98  A 1 .
ATOM 1445 C C    . CYS Axp A 90  ? 23.461 27.02  103.336 1 56.51   ? 98  A 1 .
ATOM 1446 O O    . CYS Axp A 90  ? 23.724 28.174 103.063 1 67.039  ? 98  A 1 .
ATOM 1447 C CB   . CYS Axp A 90  ? 21.386 25.729 102.931 1 54.844  ? 98  A 1 .
ATOM 1448 S SG   . CYS Axp A 90  ? 21.536 26.26  101.211 1 55.679  ? 98  A 1 .
ATOM 1449 H H    . CYS Axp A 90  ? 20.656 28.03  103.458 1 52.87   ? 98  A 1 c
ATOM 1450 H HA   . CYS Axp A 90  ? 22.213 26.195 104.775 1 52.775  ? 98  A 1 c
ATOM 1451 H HB3  . CYS Axp A 90  ? 20.433 25.678 103.164 1 54.195  ? 98  A 1 c
ATOM 1452 H HB2  . CYS Axp A 90  ? 21.765 24.825 103.012 1 54.297  ? 98  A 1 c
ATOM 1453 H HG   . CYS Axp A 90  ? 20.928 25.31  100.615 0 39.96   ? 98  A 1 c
ATOM 1454 N N    . CYS Axp A 91  ? 24.333 26.021 103.138 1 68.599  ? 99  A 1 .
ATOM 1455 C CA   . CYS Axp A 91  ? 25.693 26.227 102.647 1 67.775  ? 99  A 1 .
ATOM 1456 C C    . CYS Axp A 91  ? 25.981 25.253 101.502 1 66.484  ? 99  A 1 .
ATOM 1457 O O    . CYS Axp A 91  ? 25.452 24.142 101.497 1 73.323  ? 99  A 1 .
ATOM 1458 C CB   . CYS Axp A 91  ? 26.698 26.074 103.791 1 64.358  ? 99  A 1 .
ATOM 1459 S SG   . CYS Axp A 91  ? 28.435 26.284 103.301 1 52.324  ? 99  A 1 .
ATOM 1460 H H    . CYS Axp A 91  ? 24.067 25.167 103.323 1 65.065  ? 99  A 1 c
ATOM 1461 H HA   . CYS Axp A 91  ? 25.756 27.148 102.295 1 66.946  ? 99  A 1 c
ATOM 1462 H HB3  . CYS Axp A 91  ? 26.593 25.183 104.19  1 62.648  ? 99  A 1 c
ATOM 1463 H HB2  . CYS Axp A 91  ? 26.489 26.738 104.481 1 62.639  ? 99  A 1 c
ATOM 1464 H HG   . CYS Axp A 91  ? 28.933 26.138 104.426 0 40.38   ? 99  A 1 c
ATOM 1465 N N    . ILE Axp A 92  ? 26.792 25.692 100.528 1 65.511  ? 100 A 1 .
ATOM 1466 C CA   . ILE Axp A 92  ? 27.27  24.841 99.442  1 69.113  ? 100 A 1 .
ATOM 1467 C C    . ILE Axp A 92  ? 28.765 24.671 99.639  1 70.289  ? 100 A 1 .
ATOM 1468 O O    . ILE Axp A 92  ? 29.474 25.663 99.771  1 70.531  ? 100 A 1 .
ATOM 1469 C CB   . ILE Axp A 92  ? 26.99  25.438 98.046  1 69.012  ? 100 A 1 .
ATOM 1470 C CG1  . ILE Axp A 92  ? 25.518 25.414 97.714  1 74.642  ? 100 A 1 .
ATOM 1471 C CG2  . ILE Axp A 92  ? 27.795 24.759 96.933  1 63.147  ? 100 A 1 .
ATOM 1472 C CD1  . ILE Axp A 92  ? 25.198 26.139 96.423  1 82.062  ? 100 A 1 .
ATOM 1473 H H    . ILE Axp A 92  ? 27.061 26.565 100.543 1 66.552  ? 100 A 1 c
ATOM 1474 H HA   . ILE Axp A 92  ? 26.836 23.968 99.504  1 68.636  ? 100 A 1 c
ATOM 1475 H HB   . ILE Axp A 92  ? 27.264 26.377 98.073  1 68.984  ? 100 A 1 c
ATOM 1476 H HG12 . ILE Axp A 92  ? 25.02  25.831 98.446  1 74.864  ? 100 A 1 c
ATOM 1477 H HG13 . ILE Axp A 92  ? 25.224 24.483 97.639  1 74.904  ? 100 A 1 c
ATOM 1478 H HG21 . ILE Axp A 92  ? 27.382 24.934 96.072  1 65.151  ? 100 A 1 c
ATOM 1479 H HG22 . ILE Axp A 92  ? 27.819 23.799 97.088  1 64.921  ? 100 A 1 c
ATOM 1480 H HG23 . ILE Axp A 92  ? 28.703 25.107 96.928  1 64.922  ? 100 A 1 c
ATOM 1481 H HD11 . ILE Axp A 92  ? 25.895 26.793 96.225  1 79.427  ? 100 A 1 c
ATOM 1482 H HD12 . ILE Axp A 92  ? 24.341 26.598 96.514  1 79.684  ? 100 A 1 c
ATOM 1483 H HD13 . ILE Axp A 92  ? 25.142 25.494 95.692  1 79.599  ? 100 A 1 c
ATOM 1484 N N    . ALA Axp A 93  ? 29.243 23.422 99.591  1 72.209  ? 101 A 1 .
ATOM 1485 C CA   . ALA Axp A 93  ? 30.665 23.157 99.735  1 63.54   ? 101 A 1 .
ATOM 1486 C C    . ALA Axp A 93  ? 31.313 22.91  98.38   1 57.153  ? 101 A 1 .
ATOM 1487 O O    . ALA Axp A 93  ? 30.732 22.291 97.485  1 49.445  ? 101 A 1 .
ATOM 1488 C CB   . ALA Axp A 93  ? 30.877 21.991 100.649 1 66.498  ? 101 A 1 .
ATOM 1489 H H    . ALA Axp A 93  ? 28.671 22.72  99.464  1 69.696  ? 101 A 1 c
ATOM 1490 H HA   . ALA Axp A 93  ? 31.089 23.96  100.141 1 64.453  ? 101 A 1 c
ATOM 1491 H HB3  . ALA Axp A 93  ? 31.821 21.764 100.676 1 65.543  ? 101 A 1 c
ATOM 1492 H HB2  . ALA Axp A 93  ? 30.372 21.226 100.325 1 65.582  ? 101 A 1 c
ATOM 1493 H HB1  . ALA Axp A 93  ? 30.575 22.218 101.544 1 65.568  ? 101 A 1 c
ATOM 1494 N N    . VAL Axp A 94  ? 32.545 23.396 98.253  1 60.996  ? 102 A 1 .
ATOM 1495 C CA   . VAL Axp A 94  ? 33.305 23.184 97.037  1 68.173  ? 102 A 1 .
ATOM 1496 C C    . VAL Axp A 94  ? 34.706 22.751 97.412  1 70.769  ? 102 A 1 .
ATOM 1497 O O    . VAL Axp A 94  ? 35.342 23.423 98.223  1 65.728  ? 102 A 1 .
ATOM 1498 C CB   . VAL Axp A 94  ? 33.408 24.453 96.189  1 67.022  ? 102 A 1 .
ATOM 1499 C CG1  . VAL Axp A 94  ? 34.024 24.123 94.841  1 73.33   ? 102 A 1 .
ATOM 1500 C CG2  . VAL Axp A 94  ? 32.061 25.135 96.047  1 65.354  ? 102 A 1 .
ATOM 1501 H H    . VAL Axp A 94  ? 32.924 23.869 98.938  1 61.677  ? 102 A 1 c
ATOM 1502 H HA   . VAL Axp A 94  ? 32.881 22.481 96.511  1 67.014  ? 102 A 1 c
ATOM 1503 H HB   . VAL Axp A 94  ? 34.014 25.074 96.659  1 68.052  ? 102 A 1 c
ATOM 1504 H HG11 . VAL Axp A 94  ? 33.487 23.446 94.396  1 71.4    ? 102 A 1 c
ATOM 1505 H HG12 . VAL Axp A 94  ? 34.926 23.787 94.966  1 71.411  ? 102 A 1 c
ATOM 1506 H HG13 . VAL Axp A 94  ? 34.052 24.924 94.292  1 71.37   ? 102 A 1 c
ATOM 1507 H HG21 . VAL Axp A 94  ? 32.089 25.76  95.303  1 65.908  ? 102 A 1 c
ATOM 1508 H HG22 . VAL Axp A 94  ? 31.853 25.616 96.866  1 65.829  ? 102 A 1 c
ATOM 1509 H HG23 . VAL Axp A 94  ? 31.375 24.466 95.882  1 65.827  ? 102 A 1 c
ATOM 1510 N N    . HIS Axp A 95  ? 35.197 21.692 96.757  1 79.617  ? 103 A 1 .
ATOM 1511 C CA   . HIS Axp A 95  ? 36.568 21.267 97.007  1 103.103 ? 103 A 1 .
ATOM 1512 C C    . HIS Axp A 95  ? 37.23  20.663 95.772  1 102.181 ? 103 A 1 .
ATOM 1513 O O    . HIS Axp A 95  ? 36.579 20.2   94.836  1 108.606 ? 103 A 1 .
ATOM 1514 C CB   . HIS Axp A 95  ? 36.658 20.333 98.22   1 102.091 ? 103 A 1 .
ATOM 1515 C CG   . HIS Axp A 95  ? 36.237 18.939 97.928  1 97.863  ? 103 A 1 .
ATOM 1516 N ND1  . HIS Axp A 95  ? 36.74  18.18  96.893  1 96.382  ? 103 A 1 .
ATOM 1517 C CD2  . HIS Axp A 95  ? 35.366 18.164 98.577  1 95.078  ? 103 A 1 .
ATOM 1518 C CE1  . HIS Axp A 95  ? 36.174 16.981 96.926  1 97.812  ? 103 A 1 .
ATOM 1519 N NE2  . HIS Axp A 95  ? 35.32  16.956 97.93   1 91.209  ? 103 A 1 .
ATOM 1520 H H    . HIS Axp A 95  ? 34.684 21.233 96.156  1 81.905  ? 103 A 1 c
ATOM 1521 H HA   . HIS Axp A 95  ? 37.075 22.083 97.241  1 97.276  ? 103 A 1 c
ATOM 1522 H HB3  . HIS Axp A 95  ? 36.094 20.693 98.939  1 101.147 ? 103 A 1 c
ATOM 1523 H HB2  . HIS Axp A 95  ? 37.585 20.322 98.54   1 101.269 ? 103 A 1 c
ATOM 1524 H HD1  . HIS Axp A 95  ? 37.467 18.443 96.438  0 81.41   ? 103 A 1 c
ATOM 1525 H HD2  . HIS Axp A 95  ? 34.855 18.403 99.326  1 95.03   ? 103 A 1 c
ATOM 1526 H HE1  . HIS Axp A 95  ? 36.338 16.28  96.321  1 95.996  ? 103 A 1 c
ATOM 1527 H HE2  . HIS Axp A 95  ? 34.809 16.325 98.153  0 81.41   ? 103 A 1 c
ATOM 1528 N N    . CYS Axp A 96  ? 38.562 20.666 95.819  1 96.128  ? 104 A 1 .
ATOM 1529 C CA   . CYS Axp A 96  ? 39.368 20.16  94.732  1 103.983 ? 104 A 1 .
ATOM 1530 C C    . CYS Axp A 96  ? 40.013 18.856 95.192  1 117.848 ? 104 A 1 .
ATOM 1531 O O    . CYS Axp A 96  ? 39.32  17.844 95.298  1 104.615 ? 104 A 1 .
ATOM 1532 C CB   . CYS Axp A 96  ? 40.315 21.25  94.249  1 98.149  ? 104 A 1 .
ATOM 1533 S SG   . CYS Axp A 96  ? 41.484 20.693 92.982  1 91.027  ? 104 A 1 .
ATOM 1534 H H    . CYS Axp A 96  ? 38.983 20.995 96.561  1 99.298  ? 104 A 1 c
ATOM 1535 H HA   . CYS Axp A 96  ? 38.76  19.952 93.982  1 103.679 ? 104 A 1 c
ATOM 1536 H HB3  . CYS Axp A 96  ? 40.825 21.596 95.014  1 98.258  ? 104 A 1 c
ATOM 1537 H HB2  . CYS Axp A 96  ? 39.787 21.991 93.878  1 98.092  ? 104 A 1 c
ATOM 1538 N N    . VAL Axp A 97  ? 41.326 18.89  95.483  1 133.409 ? 105 A 1 .
ATOM 1539 C CA   . VAL Axp A 97  ? 42.048 17.683 95.864  1 128.505 ? 105 A 1 .
ATOM 1540 C C    . VAL Axp A 97  ? 43.349 18.03  96.596  1 115.714 ? 105 A 1 .
ATOM 1541 O O    . VAL Axp A 97  ? 43.519 17.675 97.76   1 102.618 ? 105 A 1 .
ATOM 1542 C CB   . VAL Axp A 97  ? 42.286 16.761 94.651  1 113.514 ? 105 A 1 .
ATOM 1543 C CG1  . VAL Axp A 97  ? 43.151 17.41  93.574  1 99.66   ? 105 A 1 .
ATOM 1544 C CG2  . VAL Axp A 97  ? 42.866 15.424 95.091  1 110.763 ? 105 A 1 .
ATOM 1545 H H    . VAL Axp A 97  ? 41.779 19.682 95.449  1 127.505 ? 105 A 1 c
ATOM 1546 H HA   . VAL Axp A 97  ? 41.488 17.196 96.49   1 123.49  ? 105 A 1 c
ATOM 1547 H HB   . VAL Axp A 97  ? 41.404 16.578 94.249  1 112.815 ? 105 A 1 c
ATOM 1548 H HG11 . VAL Axp A 97  ? 44.09  17.258 93.773  1 103.805 ? 105 A 1 c
ATOM 1549 H HG12 . VAL Axp A 97  ? 42.976 18.363 93.543  1 103.901 ? 105 A 1 c
ATOM 1550 H HG13 . VAL Axp A 97  ? 42.939 17.017 92.71   1 103.671 ? 105 A 1 c
ATOM 1551 H HG21 . VAL Axp A 97  ? 42.749 14.77  94.382  1 111.598 ? 105 A 1 c
ATOM 1552 H HG22 . VAL Axp A 97  ? 42.407 15.118 95.892  1 111.728 ? 105 A 1 c
ATOM 1553 H HG23 . VAL Axp A 97  ? 43.814 15.527 95.283  1 111.568 ? 105 A 1 c
ATOM 1554 N N    . ALA Axp A 98  ? 44.268 18.735 95.931  1 110.012 ? 106 A 1 .
ATOM 1555 C CA   . ALA Axp A 98  ? 45.535 19.082 96.556  1 108.415 ? 106 A 1 .
ATOM 1556 C C    . ALA Axp A 98  ? 45.297 20.12  97.653  1 108.133 ? 106 A 1 .
ATOM 1557 O O    . ALA Axp A 98  ? 46.222 20.469 98.378  1 110.305 ? 106 A 1 .
ATOM 1558 C CB   . ALA Axp A 98  ? 46.536 19.585 95.523  1 98.53   ? 106 A 1 .
ATOM 1559 H H    . ALA Axp A 98  ? 44.09  19.048 95.092  1 110.772 ? 106 A 1 c
ATOM 1560 H HA   . ALA Axp A 98  ? 45.903 18.26  96.985  1 106.818 ? 106 A 1 c
ATOM 1561 H HB3  . ALA Axp A 98  ? 47.359 19.851 95.967  1 101.341 ? 106 A 1 c
ATOM 1562 H HB2  . ALA Axp A 98  ? 46.164 20.349 95.051  1 101.341 ? 106 A 1 c
ATOM 1563 H HB1  . ALA Axp A 98  ? 46.73  18.878 94.884  1 101.341 ? 106 A 1 c
ATOM 1564 N N    . GLY Axp A 99  ? 44.058 20.627 97.754  1 110.631 ? 107 A 1 .
ATOM 1565 C CA   . GLY Axp A 99  ? 43.742 21.767 98.598  1 110.102 ? 107 A 1 .
ATOM 1566 C C    . GLY Axp A 99  ? 43.423 23.01  97.761  1 115.997 ? 107 A 1 .
ATOM 1567 O O    . GLY Axp A 99  ? 44.297 23.556 97.086  1 122.026 ? 107 A 1 .
ATOM 1568 H H    . GLY Axp A 99  ? 43.382 20.256 97.266  1 109.948 ? 107 A 1 c
ATOM 1569 H HA3  . GLY Axp A 99  ? 44.506 21.957 99.191  1 111.519 ? 107 A 1 c
ATOM 1570 H HA2  . GLY Axp A 99  ? 42.968 21.542 99.164  1 111.686 ? 107 A 1 c
ATOM 1571 N N    . LEU Axp A 100 ? 42.159 23.453 97.825  1 111.822 ? 108 A 1 .
ATOM 1572 C CA   . LEU Axp A 100 ? 41.664 24.635 97.131  1 103.213 ? 108 A 1 .
ATOM 1573 C C    . LEU Axp A 100 ? 41.757 24.435 95.622  1 101.997 ? 108 A 1 .
ATOM 1574 O O    . LEU Axp A 100 ? 40.739 24.192 94.982  1 90.625  ? 108 A 1 .
ATOM 1575 C CB   . LEU Axp A 100 ? 42.363 25.922 97.575  1 112.288 ? 108 A 1 .
ATOM 1576 C CG   . LEU Axp A 100 ? 42.34  26.214 99.08   1 128.982 ? 108 A 1 .
ATOM 1577 C CD1  . LEU Axp A 100 ? 40.997 25.823 99.701  1 119.184 ? 108 A 1 .
ATOM 1578 C CD2  . LEU Axp A 100 ? 43.502 25.543 99.831  1 145.885 ? 108 A 1 .
ATOM 1579 H H    . LEU Axp A 100 ? 41.565 22.982 98.337  1 110.772 ? 108 A 1 c
ATOM 1580 H HA   . LEU Axp A 100 ? 40.701 24.716 97.349  1 106.273 ? 108 A 1 c
ATOM 1581 H HB3  . LEU Axp A 100 ? 41.937 26.678 97.108  1 113.744 ? 108 A 1 c
ATOM 1582 H HB2  . LEU Axp A 100 ? 43.301 25.887 97.281  1 114.031 ? 108 A 1 c
ATOM 1583 H HG   . LEU Axp A 100 ? 42.446 27.19  99.193  1 126.48  ? 108 A 1 c
ATOM 1584 H HD11 . LEU Axp A 100 ? 40.278 26.09  99.108  1 120.314 ? 108 A 1 c
ATOM 1585 H HD12 . LEU Axp A 100 ? 40.892 26.27  100.557 1 121.573 ? 108 A 1 c
ATOM 1586 H HD13 . LEU Axp A 100 ? 40.966 24.86  99.833  1 121.547 ? 108 A 1 c
ATOM 1587 H HD21 . LEU Axp A 100 ? 44.328 25.672 99.336  1 140.341 ? 108 A 1 c
ATOM 1588 H HD22 . LEU Axp A 100 ? 43.325 24.592 99.923  1 140.221 ? 108 A 1 c
ATOM 1589 H HD23 . LEU Axp A 100 ? 43.589 25.938 100.714 1 140.235 ? 108 A 1 c
ATOM 1590 N N    . GLY Axp A 101 ? 42.977 24.546 95.073  1 114.868 ? 109 A 1 .
ATOM 1591 C CA   . GLY Axp A 101 ? 43.207 24.47  93.638  1 105.964 ? 109 A 1 .
ATOM 1592 C C    . GLY Axp A 101 ? 42.424 25.563 92.915  1 98.382  ? 109 A 1 .
ATOM 1593 O O    . GLY Axp A 101 ? 42.851 26.724 92.874  1 81.544  ? 109 A 1 .
ATOM 1594 H H    . GLY Axp A 101 ? 43.7   24.665 95.619  1 109.69  ? 109 A 1 c
ATOM 1595 H HA3  . GLY Axp A 101 ? 42.928 23.584 93.309  1 106.094 ? 109 A 1 c
ATOM 1596 H HA2  . GLY Axp A 101 ? 44.17  24.576 93.457  1 106.219 ? 109 A 1 c
ATOM 1597 N N    . ARG Axp A 102 ? 41.246 25.179 92.408  1 94.586  ? 110 A 1 .
ATOM 1598 C CA   . ARG Axp A 102 ? 40.412 26.072 91.618  1 93.591  ? 110 A 1 .
ATOM 1599 C C    . ARG Axp A 102 ? 39.019 26.227 92.233  1 87.959  ? 110 A 1 .
ATOM 1600 O O    . ARG Axp A 102 ? 38.195 26.96  91.686  1 87.775  ? 110 A 1 .
ATOM 1601 C CB   . ARG Axp A 102 ? 40.357 25.647 90.142  1 94.703  ? 110 A 1 .
ATOM 1602 C CG   . ARG Axp A 102 ? 40.51  24.155 89.888  1 109.689 ? 110 A 1 .
ATOM 1603 C CD   . ARG Axp A 102 ? 41.958 23.642 89.859  1 126.696 ? 110 A 1 .
ATOM 1604 N NE   . ARG Axp A 102 ? 41.94  22.172 89.782  1 139.96  ? 110 A 1 .
ATOM 1605 C CZ   . ARG Axp A 102 ? 41.589 21.394 88.738  1 139.294 ? 110 A 1 .
ATOM 1606 N NH1  . ARG Axp A 102 ? 41.092 21.892 87.619  1 141.411 ? 110 A 1 .
ATOM 1607 N NH2  . ARG Axp A 102 ? 41.721 20.082 88.835  1 138.265 ? 110 A 1 .
ATOM 1608 H H    . ARG Axp A 102 ? 40.958 24.324 92.555  1 95.4    ? 110 A 1 c
ATOM 1609 H HA   . ARG Axp A 102 ? 40.834 26.966 91.634  1 92.544  ? 110 A 1 c
ATOM 1610 H HB3  . ARG Axp A 102 ? 41.069 26.118 89.659  1 97.669  ? 110 A 1 c
ATOM 1611 H HB2  . ARG Axp A 102 ? 39.501 25.94  89.762  1 97.575  ? 110 A 1 c
ATOM 1612 H HG3  . ARG Axp A 102 ? 40.085 23.94  89.031  1 109.882 ? 110 A 1 c
ATOM 1613 H HG2  . ARG Axp A 102 ? 40.018 23.664 90.581  1 109.454 ? 110 A 1 c
ATOM 1614 H HD3  . ARG Axp A 102 ? 42.439 23.92  90.662  1 125.28  ? 110 A 1 c
ATOM 1615 H HD2  . ARG Axp A 102 ? 42.425 24.004 89.078  1 125.551 ? 110 A 1 c
ATOM 1616 H HE   . ARG Axp A 102 ? 42.187 21.745 90.5    1 136.627 ? 110 A 1 c
ATOM 1617 H HH11 . ARG Axp A 102 ? 41.115 22.76  87.466  1 140.518 ? 110 A 1 c
ATOM 1618 H HH12 . ARG Axp A 102 ? 40.736 21.346 87.023  1 140.778 ? 110 A 1 c
ATOM 1619 H HH21 . ARG Axp A 102 ? 41.445 19.665 89.564  1 138.565 ? 110 A 1 c
ATOM 1620 H HH22 . ARG Axp A 102 ? 42.085 19.627 88.17   1 138.577 ? 110 A 1 c
ATOM 1621 N N    . ALA Axp A 103 ? 38.749 25.557 93.366  1 83.692  ? 111 A 1 .
ATOM 1622 C CA   . ALA Axp A 103 ? 37.452 25.699 94.02   1 80.561  ? 111 A 1 .
ATOM 1623 C C    . ALA Axp A 103 ? 37.074 27.173 93.992  1 79.722  ? 111 A 1 .
ATOM 1624 O O    . ALA Axp A 103 ? 36.105 27.571 93.342  1 93.445  ? 111 A 1 .
ATOM 1625 C CB   . ALA Axp A 103 ? 37.455 25.148 95.444  1 70.78   ? 111 A 1 .
ATOM 1626 H H    . ALA Axp A 103 ? 39.376 25.008 93.739  1 84.027  ? 111 A 1 c
ATOM 1627 H HA   . ALA Axp A 103 ? 36.78  25.197 93.481  1 79.121  ? 111 A 1 c
ATOM 1628 H HB3  . ALA Axp A 103 ? 37.002 25.771 96.036  1 73.48   ? 111 A 1 c
ATOM 1629 H HB2  . ALA Axp A 103 ? 38.368 25.02  95.749  1 73.584  ? 111 A 1 c
ATOM 1630 H HB1  . ALA Axp A 103 ? 36.991 24.295 95.464  1 73.513  ? 111 A 1 c
ATOM 1631 N N    . PRO Axp A 104 ? 37.917 28.024 94.61   1 69.427  ? 112 A 1 .
ATOM 1632 C CA   . PRO Axp A 104 ? 37.706 29.462 94.633  1 73.15   ? 112 A 1 .
ATOM 1633 C C    . PRO Axp A 104 ? 37.141 30.05  93.341  1 72.915  ? 112 A 1 .
ATOM 1634 O O    . PRO Axp A 104 ? 36.352 30.99  93.4    1 77.983  ? 112 A 1 .
ATOM 1635 C CB   . PRO Axp A 104 ? 39.112 29.981 94.922  1 70.592  ? 112 A 1 .
ATOM 1636 C CG   . PRO Axp A 104 ? 39.629 28.908 95.861  1 65.63   ? 112 A 1 .
ATOM 1637 C CD   . PRO Axp A 104 ? 39.182 27.641 95.248  1 62.679  ? 112 A 1 .
ATOM 1638 H HA   . PRO Axp A 104 ? 37.114 29.691 95.379  1 71.898  ? 112 A 1 c
ATOM 1639 H HB3  . PRO Axp A 104 ? 39.086 30.854 95.359  1 69.999  ? 112 A 1 c
ATOM 1640 H HB2  . PRO Axp A 104 ? 39.649 30.03  94.107  1 70.011  ? 112 A 1 c
ATOM 1641 H HG3  . PRO Axp A 104 ? 39.25  29.012 96.756  1 66      ? 112 A 1 c
ATOM 1642 H HG2  . PRO Axp A 104 ? 40.605 28.937 95.923  1 66      ? 112 A 1 c
ATOM 1643 H HD3  . PRO Axp A 104 ? 39.826 27.322 94.589  1 65.109  ? 112 A 1 c
ATOM 1644 H HD2  . PRO Axp A 104 ? 39.043 26.958 95.925  1 65.124  ? 112 A 1 c
ATOM 1645 N N    . VAL Axp A 105 ? 37.536 29.486 92.191  1 67.127  ? 113 A 1 .
ATOM 1646 C CA   . VAL Axp A 105 ? 37.179 30.047 90.899  1 66.636  ? 113 A 1 .
ATOM 1647 C C    . VAL Axp A 105 ? 35.663 30.071 90.699  1 67.249  ? 113 A 1 .
ATOM 1648 O O    . VAL Axp A 105 ? 35.131 31.015 90.125  1 69.698  ? 113 A 1 .
ATOM 1649 C CB   . VAL Axp A 105 ? 37.852 29.298 89.739  1 74.968  ? 113 A 1 .
ATOM 1650 C CG1  . VAL Axp A 105 ? 37.405 29.865 88.395  1 72.357  ? 113 A 1 .
ATOM 1651 C CG2  . VAL Axp A 105 ? 39.372 29.302 89.862  1 75.237  ? 113 A 1 .
ATOM 1652 H H    . VAL Axp A 105 ? 38.056 28.736 92.214  1 68.687  ? 113 A 1 c
ATOM 1653 H HA   . VAL Axp A 105 ? 37.496 30.97  90.88   1 68.335  ? 113 A 1 c
ATOM 1654 H HB   . VAL Axp A 105 ? 37.547 28.362 89.782  1 72.988  ? 113 A 1 c
ATOM 1655 H HG11 . VAL Axp A 105 ? 37.287 30.827 88.469  1 73.045  ? 113 A 1 c
ATOM 1656 H HG12 . VAL Axp A 105 ? 36.563 29.455 88.132  1 73.075  ? 113 A 1 c
ATOM 1657 H HG13 . VAL Axp A 105 ? 38.079 29.675 87.72   1 73.119  ? 113 A 1 c
ATOM 1658 H HG21 . VAL Axp A 105 ? 39.762 28.871 89.083  1 75.135  ? 113 A 1 c
ATOM 1659 H HG22 . VAL Axp A 105 ? 39.638 28.821 90.662  1 75.124  ? 113 A 1 c
ATOM 1660 H HG23 . VAL Axp A 105 ? 39.69  30.219 89.917  1 75.147  ? 113 A 1 c
ATOM 1661 N N    . LEU Axp A 106 ? 34.956 29.033 91.139  1 71.282  ? 114 A 1 .
ATOM 1662 C CA   . LEU Axp A 106 ? 33.506 29.024 90.99   1 72.714  ? 114 A 1 .
ATOM 1663 C C    . LEU Axp A 106 ? 32.84  29.979 91.98   1 61.474  ? 114 A 1 .
ATOM 1664 O O    . LEU Axp A 106 ? 31.815 30.568 91.659  1 63.901  ? 114 A 1 .
ATOM 1665 C CB   . LEU Axp A 106 ? 32.936 27.615 91.156  1 83.123  ? 114 A 1 .
ATOM 1666 C CG   . LEU Axp A 106 ? 33.055 26.672 89.959  1 78.518  ? 114 A 1 .
ATOM 1667 C CD1  . LEU Axp A 106 ? 32.178 25.48  90.244  1 77.754  ? 114 A 1 .
ATOM 1668 C CD2  . LEU Axp A 106 ? 32.662 27.342 88.661  1 77.054  ? 114 A 1 .
ATOM 1669 H H    . LEU Axp A 106 ? 35.373 28.32  91.53   1 70.702  ? 114 A 1 c
ATOM 1670 H HA   . LEU Axp A 106 ? 33.295 29.345 90.078  1 71.99   ? 114 A 1 c
ATOM 1671 H HB3  . LEU Axp A 106 ? 31.983 27.697 91.388  1 79.299  ? 114 A 1 c
ATOM 1672 H HB2  . LEU Axp A 106 ? 33.383 27.193 91.925  1 79.466  ? 114 A 1 c
ATOM 1673 H HG   . LEU Axp A 106 ? 33.996 26.366 89.889  1 78.924  ? 114 A 1 c
ATOM 1674 H HD11 . LEU Axp A 106 ? 32.346 25.159 91.146  1 77.95   ? 114 A 1 c
ATOM 1675 H HD12 . LEU Axp A 106 ? 32.375 24.772 89.608  1 77.926  ? 114 A 1 c
ATOM 1676 H HD13 . LEU Axp A 106 ? 31.244 25.736 90.161  1 77.729  ? 114 A 1 c
ATOM 1677 H HD21 . LEU Axp A 106 ? 33.414 27.853 88.318  1 77.443  ? 114 A 1 c
ATOM 1678 H HD22 . LEU Axp A 106 ? 31.91  27.938 88.816  1 77.468  ? 114 A 1 c
ATOM 1679 H HD23 . LEU Axp A 106 ? 32.408 26.666 88.01   1 77.475  ? 114 A 1 c
ATOM 1680 N N    . VAL Axp A 107 ? 33.375 30.071 93.201  1 55.183  ? 115 A 1 .
ATOM 1681 C CA   . VAL Axp A 107 ? 32.825 30.966 94.204  1 56.344  ? 115 A 1 .
ATOM 1682 C C    . VAL Axp A 107 ? 33.005 32.407 93.723  1 56.748  ? 115 A 1 .
ATOM 1683 O O    . VAL Axp A 107 ? 32.094 33.22  93.832  1 62.332  ? 115 A 1 .
ATOM 1684 C CB   . VAL Axp A 107 ? 33.467 30.697 95.579  1 52.846  ? 115 A 1 .
ATOM 1685 C CG1  . VAL Axp A 107 ? 33.079 31.73  96.628  1 51.335  ? 115 A 1 .
ATOM 1686 C CG2  . VAL Axp A 107 ? 33.13  29.298 96.076  1 52.438  ? 115 A 1 .
ATOM 1687 H H    . VAL Axp A 107 ? 34.102 29.561 93.415  1 56.952  ? 115 A 1 c
ATOM 1688 H HA   . VAL Axp A 107 ? 31.867 30.786 94.277  1 55.604  ? 115 A 1 c
ATOM 1689 H HB   . VAL Axp A 107 ? 34.444 30.746 95.458  1 53.134  ? 115 A 1 c
ATOM 1690 H HG11 . VAL Axp A 107 ? 32.147 31.98  96.509  1 51.804  ? 115 A 1 c
ATOM 1691 H HG12 . VAL Axp A 107 ? 33.639 32.519 96.53   1 51.805  ? 115 A 1 c
ATOM 1692 H HG13 . VAL Axp A 107 ? 33.202 31.356 97.517  1 51.795  ? 115 A 1 c
ATOM 1693 H HG21 . VAL Axp A 107 ? 33.529 29.159 96.952  1 52.562  ? 115 A 1 c
ATOM 1694 H HG22 . VAL Axp A 107 ? 33.48  28.638 95.455  1 52.6    ? 115 A 1 c
ATOM 1695 H HG23 . VAL Axp A 107 ? 32.166 29.2   96.142  1 52.567  ? 115 A 1 c
ATOM 1696 N N    . ALA Axp A 108 ? 34.158 32.713 93.131  1 52.718  ? 116 A 1 .
ATOM 1697 C CA   . ALA Axp A 108 ? 34.363 34.016 92.513  1 60.7    ? 116 A 1 .
ATOM 1698 C C    . ALA Axp A 108 ? 33.259 34.306 91.498  1 61.04   ? 116 A 1 .
ATOM 1699 O O    . ALA Axp A 108 ? 32.745 35.42  91.41   1 56.126  ? 116 A 1 .
ATOM 1700 C CB   . ALA Axp A 108 ? 35.719 34.075 91.843  1 65.961  ? 116 A 1 .
ATOM 1701 H H    . ALA Axp A 108 ? 34.837 32.102 93.115  1 55.517  ? 116 A 1 c
ATOM 1702 H HA   . ALA Axp A 108 ? 34.32  34.71  93.228  1 60.021  ? 116 A 1 c
ATOM 1703 H HB3  . ALA Axp A 108 ? 35.97  35.003 91.693  1 64.36   ? 116 A 1 c
ATOM 1704 H HB2  . ALA Axp A 108 ? 35.684 33.61  90.99   1 64.346  ? 116 A 1 c
ATOM 1705 H HB1  . ALA Axp A 108 ? 36.383 33.652 92.411  1 64.387  ? 116 A 1 c
ATOM 1706 N N    . LEU Axp A 109 ? 32.936 33.279 90.708  1 68.114  ? 117 A 1 .
ATOM 1707 C CA   . LEU Axp A 109 ? 31.898 33.36  89.688  1 73.16   ? 117 A 1 .
ATOM 1708 C C    . LEU Axp A 109 ? 30.541 33.709 90.312  1 62.58   ? 117 A 1 .
ATOM 1709 O O    . LEU Axp A 109 ? 29.836 34.585 89.822  1 56.34   ? 117 A 1 .
ATOM 1710 C CB   . LEU Axp A 109 ? 31.876 32.04  88.904  1 68.686  ? 117 A 1 .
ATOM 1711 C CG   . LEU Axp A 109 ? 32.423 32.064 87.47   1 67.162  ? 117 A 1 .
ATOM 1712 C CD1  . LEU Axp A 109 ? 33.563 33.02  87.262  1 71.117  ? 117 A 1 .
ATOM 1713 C CD2  . LEU Axp A 109 ? 32.871 30.676 87.055  1 70.711  ? 117 A 1 .
ATOM 1714 H H    . LEU Axp A 109 ? 33.395 32.495 90.801  1 67.207  ? 117 A 1 c
ATOM 1715 H HA   . LEU Axp A 109 ? 32.139 34.094 89.071  1 69.316  ? 117 A 1 c
ATOM 1716 H HB3  . LEU Axp A 109 ? 30.944 31.72  88.87   1 69.275  ? 117 A 1 c
ATOM 1717 H HB2  . LEU Axp A 109 ? 32.385 31.37  89.413  1 69.28   ? 117 A 1 c
ATOM 1718 H HG   . LEU Axp A 109 ? 31.685 32.337 86.866  1 68.831  ? 117 A 1 c
ATOM 1719 H HD11 . LEU Axp A 109 ? 33.214 33.914 87.105  1 69.913  ? 117 A 1 c
ATOM 1720 H HD12 . LEU Axp A 109 ? 34.086 32.741 86.491  1 69.919  ? 117 A 1 c
ATOM 1721 H HD13 . LEU Axp A 109 ? 34.131 33.028 88.051  1 69.929  ? 117 A 1 c
ATOM 1722 H HD21 . LEU Axp A 109 ? 32.189 30.028 87.299  1 69.639  ? 117 A 1 c
ATOM 1723 H HD22 . LEU Axp A 109 ? 33.703 30.454 87.506  1 69.65   ? 117 A 1 c
ATOM 1724 H HD23 . LEU Axp A 109 ? 33.01  30.653 86.093  1 69.645  ? 117 A 1 c
ATOM 1725 N N    . ALA Axp A 110 ? 30.183 33.014 91.392  1 54.988  ? 118 A 1 .
ATOM 1726 C CA   . ALA Axp A 110 ? 28.948 33.285 92.098  1 57.721  ? 118 A 1 .
ATOM 1727 C C    . ALA Axp A 110 ? 28.93  34.743 92.522  1 54.24   ? 118 A 1 .
ATOM 1728 O O    . ALA Axp A 110 ? 27.925 35.413 92.373  1 55.279  ? 118 A 1 .
ATOM 1729 C CB   . ALA Axp A 110 ? 28.804 32.37  93.303  1 67.274  ? 118 A 1 .
ATOM 1730 H H    . ALA Axp A 110 ? 30.726 32.344 91.695  1 57.602  ? 118 A 1 c
ATOM 1731 H HA   . ALA Axp A 110 ? 28.187 33.129 91.472  1 58.107  ? 118 A 1 c
ATOM 1732 H HB3  . ALA Axp A 110 ? 27.907 32.45  93.668  1 64.31   ? 118 A 1 c
ATOM 1733 H HB2  . ALA Axp A 110 ? 29.451 32.621 93.984  1 64.227  ? 118 A 1 c
ATOM 1734 H HB1  . ALA Axp A 110 ? 28.96  31.449 93.036  1 64.245  ? 118 A 1 c
ATOM 1735 N N    . LEU Axp A 111 ? 30.049 35.222 93.069  1 59.872  ? 119 A 1 .
ATOM 1736 C CA   . LEU Axp A 111 ? 30.129 36.595 93.549  1 53.037  ? 119 A 1 .
ATOM 1737 C C    . LEU Axp A 111 ? 29.92  37.568 92.39   1 49.658  ? 119 A 1 .
ATOM 1738 O O    . LEU Axp A 111 ? 29.113 38.472 92.491  1 47.595  ? 119 A 1 .
ATOM 1739 C CB   . LEU Axp A 111 ? 31.447 36.859 94.272  1 48.665  ? 119 A 1 .
ATOM 1740 C CG   . LEU Axp A 111 ? 31.634 36.112 95.598  1 50.38   ? 119 A 1 .
ATOM 1741 C CD1  . LEU Axp A 111 ? 32.854 36.658 96.285  1 53.251  ? 119 A 1 .
ATOM 1742 C CD2  . LEU Axp A 111 ? 30.453 36.181 96.536  1 49.297  ? 119 A 1 .
ATOM 1743 H H    . LEU Axp A 111 ? 30.78  34.68  93.153  1 56.838  ? 119 A 1 c
ATOM 1744 H HA   . LEU Axp A 111 ? 29.386 36.731 94.189  1 52.764  ? 119 A 1 c
ATOM 1745 H HB3  . LEU Axp A 111 ? 31.514 37.826 94.447  1 50.056  ? 119 A 1 c
ATOM 1746 H HB2  . LEU Axp A 111 ? 32.185 36.611 93.669  1 50.119  ? 119 A 1 c
ATOM 1747 H HG   . LEU Axp A 111 ? 31.802 35.158 95.393  1 50.444  ? 119 A 1 c
ATOM 1748 H HD11 . LEU Axp A 111 ? 33.589 36.708 95.651  1 52.358  ? 119 A 1 c
ATOM 1749 H HD12 . LEU Axp A 111 ? 33.101 36.073 97.02   1 52.399  ? 119 A 1 c
ATOM 1750 H HD13 . LEU Axp A 111 ? 32.663 37.547 96.629  1 52.361  ? 119 A 1 c
ATOM 1751 H HD21 . LEU Axp A 111 ? 29.76  35.571 96.232  1 49.657  ? 119 A 1 c
ATOM 1752 H HD22 . LEU Axp A 111 ? 30.101 37.088 96.55   1 49.63   ? 119 A 1 c
ATOM 1753 H HD23 . LEU Axp A 111 ? 30.733 35.93  97.433  1 49.646  ? 119 A 1 c
ATOM 1754 N N    . ILE Axp A 112 ? 30.631 37.368 91.284  1 51.885  ? 120 A 1 .
ATOM 1755 C CA   . ILE Axp A 112 ? 30.547 38.269 90.151  1 52.249  ? 120 A 1 .
ATOM 1756 C C    . ILE Axp A 112 ? 29.131 38.284 89.604  1 57.168  ? 120 A 1 .
ATOM 1757 O O    . ILE Axp A 112 ? 28.511 39.339 89.477  1 52.424  ? 120 A 1 .
ATOM 1758 C CB   . ILE Axp A 112 ? 31.545 37.845 89.069  1 52.978  ? 120 A 1 .
ATOM 1759 C CG1  . ILE Axp A 112 ? 32.994 37.976 89.601  1 56.33   ? 120 A 1 .
ATOM 1760 C CG2  . ILE Axp A 112 ? 31.284 38.656 87.8    1 49.924  ? 120 A 1 .
ATOM 1761 C CD1  . ILE Axp A 112 ? 34.079 37.391 88.716  1 53.662  ? 120 A 1 .
ATOM 1762 H H    . ILE Axp A 112 ? 31.179 36.638 91.229  1 51.562  ? 120 A 1 c
ATOM 1763 H HA   . ILE Axp A 112 ? 30.777 39.165 90.453  1 53.203  ? 120 A 1 c
ATOM 1764 H HB   . ILE Axp A 112 ? 31.384 36.903 88.865  1 52.896  ? 120 A 1 c
ATOM 1765 H HG12 . ILE Axp A 112 ? 33.047 37.545 90.477  1 54.92   ? 120 A 1 c
ATOM 1766 H HG13 . ILE Axp A 112 ? 33.185 38.926 89.733  1 55.008  ? 120 A 1 c
ATOM 1767 H HG21 . ILE Axp A 112 ? 32.092 38.686 87.261  1 50.858  ? 120 A 1 c
ATOM 1768 H HG22 . ILE Axp A 112 ? 31.024 39.562 88.037  1 50.877  ? 120 A 1 c
ATOM 1769 H HG23 . ILE Axp A 112 ? 30.572 38.24  87.287  1 50.956  ? 120 A 1 c
ATOM 1770 H HD11 . ILE Axp A 112 ? 33.752 36.574 88.294  1 54.436  ? 120 A 1 c
ATOM 1771 H HD12 . ILE Axp A 112 ? 34.865 37.184 89.255  1 54.436  ? 120 A 1 c
ATOM 1772 H HD13 . ILE Axp A 112 ? 34.321 38.037 88.025  1 54.436  ? 120 A 1 c
ATOM 1773 N N    . GLU Axp A 113 ? 28.646 37.078 89.298  1 65.671  ? 121 A 1 .
ATOM 1774 C CA   . GLU Axp A 113 ? 27.294 36.876 88.814  1 58.683  ? 121 A 1 .
ATOM 1775 C C    . GLU Axp A 113 ? 26.336 37.526 89.803  1 52.665  ? 121 A 1 .
ATOM 1776 O O    . GLU Axp A 113 ? 25.259 37.965 89.423  1 49.904  ? 121 A 1 .
ATOM 1777 C CB   . GLU Axp A 113 ? 27.033 35.378 88.642  1 58.468  ? 121 A 1 .
ATOM 1778 C CG   . GLU Axp A 113 ? 26.108 35.067 87.475  1 62.89   ? 121 A 1 .
ATOM 1779 C CD   . GLU Axp A 113 ? 26.676 35.609 86.178  1 69.105  ? 121 A 1 .
ATOM 1780 O OE1  . GLU Axp A 113 ? 27.745 35.129 85.774  1 68.288  ? 121 A 1 .
ATOM 1781 O OE2  . GLU Axp A 113 ? 26.089 36.551 85.609  1 81.593  ? 121 A 1 .
ATOM 1782 H H    . GLU Axp A 113 ? 29.186 36.347 89.399  1 61.625  ? 121 A 1 c
ATOM 1783 H HA   . GLU Axp A 113 ? 27.206 37.335 87.942  1 58.938  ? 121 A 1 c
ATOM 1784 H HB3  . GLU Axp A 113 ? 26.647 35.022 89.47   1 59.461  ? 121 A 1 c
ATOM 1785 H HB2  . GLU Axp A 113 ? 27.882 34.919 88.486  1 59.53   ? 121 A 1 c
ATOM 1786 H HG3  . GLU Axp A 113 ? 25.23  35.475 87.635  1 63.213  ? 121 A 1 c
ATOM 1787 H HG2  . GLU Axp A 113 ? 25.988 34.103 87.396  1 62.734  ? 121 A 1 c
ATOM 1788 N N    . GLY Axp A 114 ? 26.771 37.611 91.066  1 54.351  ? 122 A 1 .
ATOM 1789 C CA   . GLY Axp A 114 ? 25.967 38.179 92.141  1 59.07   ? 122 A 1 .
ATOM 1790 C C    . GLY Axp A 114 ? 26.063 39.707 92.239  1 62.909  ? 122 A 1 .
ATOM 1791 O O    . GLY Axp A 114 ? 25.501 40.31  93.161  1 47.619  ? 122 A 1 .
ATOM 1792 H H    . GLY Axp A 114 ? 27.587 37.263 91.279  1 55.058  ? 122 A 1 c
ATOM 1793 H HA3  . GLY Axp A 114 ? 26.259 37.783 92.995  1 58.722  ? 122 A 1 c
ATOM 1794 H HA2  . GLY Axp A 114 ? 25.028 37.922 92.001  1 58.72   ? 122 A 1 c
ATOM 1795 N N    . GLY Axp A 115 ? 26.762 40.326 91.273  1 65.658  ? 123 A 1 .
ATOM 1796 C CA   . GLY Axp A 115 ? 26.808 41.773 91.154  1 64.037  ? 123 A 1 .
ATOM 1797 C C    . GLY Axp A 115 ? 28.067 42.357 91.779  1 61.888  ? 123 A 1 .
ATOM 1798 O O    . GLY Axp A 115 ? 28.081 43.491 92.24   1 58.203  ? 123 A 1 .
ATOM 1799 H H    . GLY Axp A 115 ? 27.222 39.827 90.663  1 64.361  ? 123 A 1 c
ATOM 1800 H HA3  . GLY Axp A 115 ? 26.014 42.161 91.591  1 63.826  ? 123 A 1 c
ATOM 1801 H HA2  . GLY Axp A 115 ? 26.775 42.016 90.199  1 63.986  ? 123 A 1 c
ATOM 1802 N N    . MET Axp A 116 ? 29.142 41.573 91.745  1 67.956  ? 124 A 1 .
ATOM 1803 C CA   . MET Axp A 116 ? 30.443 42     92.231  1 56.127  ? 124 A 1 .
ATOM 1804 C C    . MET Axp A 116 ? 31.381 42.142 91.026  1 54.642  ? 124 A 1 .
ATOM 1805 O O    . MET Axp A 116 ? 31.373 41.286 90.147  1 59.53   ? 124 A 1 .
ATOM 1806 C CB   . MET Axp A 116 ? 30.93  40.981 93.273  1 43.977  ? 124 A 1 .
ATOM 1807 C CG   . MET Axp A 116 ? 31.723 41.624 94.356  1 41.858  ? 124 A 1 .
ATOM 1808 S SD   . MET Axp A 116 ? 32.237 40.59  95.731  1 44.784  ? 124 A 1 .
ATOM 1809 C CE   . MET Axp A 116 ? 30.957 40.582 96.983  1 46.887  ? 124 A 1 .
ATOM 1810 H H    . MET Axp A 116 ? 29.068 40.731 91.397  1 63.66   ? 124 A 1 c
ATOM 1811 H HA   . MET Axp A 116 ? 30.344 42.887 92.659  1 55.328  ? 124 A 1 c
ATOM 1812 H HB3  . MET Axp A 116 ? 31.481 40.304 92.825  1 45.997  ? 124 A 1 c
ATOM 1813 H HB2  . MET Axp A 116 ? 30.153 40.531 93.667  1 46.062  ? 124 A 1 c
ATOM 1814 H HG3  . MET Axp A 116 ? 31.204 42.369 94.719  1 43.029  ? 124 A 1 c
ATOM 1815 H HG2  . MET Axp A 116 ? 32.523 42.002 93.956  1 43.091  ? 124 A 1 c
ATOM 1816 H HE3  . MET Axp A 116 ? 30.268 39.939 96.735  1 46.462  ? 124 A 1 c
ATOM 1817 H HE2  . MET Axp A 116 ? 30.567 41.472 97.051  1 46.414  ? 124 A 1 c
ATOM 1818 H HE1  . MET Axp A 116 ? 31.345 40.329 97.841  1 46.385  ? 124 A 1 c
ATOM 1819 N N    . LYS Axp A 117 ? 32.162 43.231 90.944  1 51.198  ? 125 A 1 .
ATOM 1820 C CA   . LYS Axp A 117 ? 33.216 43.296 89.937  1 51.67   ? 125 A 1 .
ATOM 1821 C C    . LYS Axp A 117 ? 34.243 42.206 90.255  1 60.317  ? 125 A 1 .
ATOM 1822 O O    . LYS Axp A 117 ? 34.452 41.844 91.416  1 64.661  ? 125 A 1 .
ATOM 1823 C CB   . LYS Axp A 117 ? 33.956 44.635 89.91   1 51.565  ? 125 A 1 .
ATOM 1824 C CG   . LYS Axp A 117 ? 33.182 45.909 89.649  1 53.074  ? 125 A 1 .
ATOM 1825 C CD   . LYS Axp A 117 ? 32.83  46.16  88.196  1 58.459  ? 125 A 1 .
ATOM 1826 C CE   . LYS Axp A 117 ? 32.24  47.542 88.004  1 65.796  ? 125 A 1 .
ATOM 1827 N NZ   . LYS Axp A 117 ? 33.211 48.646 88.064  1 61.552  ? 125 A 1 .
ATOM 1828 H H    . LYS Axp A 117 ? 32.04  43.933 91.515  1 52.143  ? 125 A 1 c
ATOM 1829 H HA   . LYS Axp A 117 ? 32.817 43.119 89.047  1 53.136  ? 125 A 1 c
ATOM 1830 H HB3  . LYS Axp A 117 ? 34.653 44.571 89.223  1 52.132  ? 125 A 1 c
ATOM 1831 H HB2  . LYS Axp A 117 ? 34.413 44.738 90.772  1 52.014  ? 125 A 1 c
ATOM 1832 H HG3  . LYS Axp A 117 ? 33.712 46.665 89.981  1 53.951  ? 125 A 1 c
ATOM 1833 H HG2  . LYS Axp A 117 ? 32.352 45.879 90.174  1 53.898  ? 125 A 1 c
ATOM 1834 H HD3  . LYS Axp A 117 ? 32.18  45.487 87.898  1 58.828  ? 125 A 1 c
ATOM 1835 H HD2  . LYS Axp A 117 ? 33.639 46.075 87.647  1 59.146  ? 125 A 1 c
ATOM 1836 H HE3  . LYS Axp A 117 ? 31.563 47.691 88.688  1 62.986  ? 125 A 1 c
ATOM 1837 H HE2  . LYS Axp A 117 ? 31.793 47.573 87.139  1 63.034  ? 125 A 1 c
ATOM 1838 H HZ1  . LYS Axp A 117 ? 33.918 48.462 87.529  1 62.813  ? 125 A 1 c
ATOM 1839 H HZ2  . LYS Axp A 117 ? 33.502 48.753 88.915  1 62.762  ? 125 A 1 c
ATOM 1840 H HZ3  . LYS Axp A 117 ? 32.819 49.414 87.785  1 62.813  ? 125 A 1 c
ATOM 1841 N N    . TYR Axp A 118 ? 34.912 41.687 89.225  1 64.28   ? 126 A 1 .
ATOM 1842 C CA   . TYR Axp A 118 ? 35.795 40.546 89.427  1 67.235  ? 126 A 1 .
ATOM 1843 C C    . TYR Axp A 118 ? 36.811 40.836 90.536  1 63.604  ? 126 A 1 .
ATOM 1844 O O    . TYR Axp A 118 ? 37.007 39.971 91.387  1 60.132  ? 126 A 1 .
ATOM 1845 C CB   . TYR Axp A 118 ? 36.475 40.099 88.129  1 69.173  ? 126 A 1 .
ATOM 1846 C CG   . TYR Axp A 118 ? 37.823 40.715 87.779  1 68.098  ? 126 A 1 .
ATOM 1847 C CD1  . TYR Axp A 118 ? 37.917 41.981 87.218  1 65.897  ? 126 A 1 .
ATOM 1848 C CD2  . TYR Axp A 118 ? 39.003 40.003 87.96   1 80.364  ? 126 A 1 .
ATOM 1849 C CE1  . TYR Axp A 118 ? 39.138 42.532 86.867  1 67.268  ? 126 A 1 .
ATOM 1850 C CE2  . TYR Axp A 118 ? 40.232 40.533 87.59   1 79.807  ? 126 A 1 .
ATOM 1851 C CZ   . TYR Axp A 118 ? 40.296 41.811 87.061  1 73.233  ? 126 A 1 .
ATOM 1852 O OH   . TYR Axp A 118 ? 41.473 42.391 86.707  1 91.138  ? 126 A 1 .
ATOM 1853 H H    . TYR Axp A 118 ? 34.822 42.045 88.389  1 63.838  ? 126 A 1 c
ATOM 1854 H HA   . TYR Axp A 118 ? 35.23  39.792 89.737  1 66.085  ? 126 A 1 c
ATOM 1855 H HB3  . TYR Axp A 118 ? 35.855 40.277 87.387  1 68.442  ? 126 A 1 c
ATOM 1856 H HB2  . TYR Axp A 118 ? 36.587 39.123 88.17   1 68.581  ? 126 A 1 c
ATOM 1857 H HD1  . TYR Axp A 118 ? 37.13  42.483 87.079  1 67.05   ? 126 A 1 c
ATOM 1858 H HD2  . TYR Axp A 118 ? 38.966 39.13  88.317  1 76.981  ? 126 A 1 c
ATOM 1859 H HE1  . TYR Axp A 118 ? 39.178 43.398 86.5    1 68.929  ? 126 A 1 c
ATOM 1860 H HE2  . TYR Axp A 118 ? 41.023 40.043 87.737  1 78.213  ? 126 A 1 c
ATOM 1861 H HH   . TYR Axp A 118 ? 41.422 43.035 86.403  0 68.35   ? 126 A 1 c
ATOM 1862 N N    . GLU Axp A 119 ? 37.429 42.035 90.534  1 58.601  ? 127 A 1 .
ATOM 1863 C CA   . GLU Axp A 119 ? 38.445 42.4   91.525  1 57.548  ? 127 A 1 .
ATOM 1864 C C    . GLU Axp A 119 ? 37.822 42.359 92.917  1 54.448  ? 127 A 1 .
ATOM 1865 O O    . GLU Axp A 119 ? 38.374 41.775 93.863  1 48.586  ? 127 A 1 .
ATOM 1866 C CB   . GLU Axp A 119 ? 39.072 43.79  91.386  1 56.697  ? 127 A 1 .
ATOM 1867 C CG   . GLU Axp A 119 ? 39.395 44.168 89.947  1 66.52   ? 127 A 1 .
ATOM 1868 C CD   . GLU Axp A 119 ? 38.155 44.706 89.264  1 78.161  ? 127 A 1 .
ATOM 1869 O OE1  . GLU Axp A 119 ? 37.116 43.993 89.228  1 83.76   ? 127 A 1 .
ATOM 1870 O OE2  . GLU Axp A 119 ? 38.223 45.857 88.797  1 85.701  ? 127 A 1 .
ATOM 1871 H H    . GLU Axp A 119 ? 37.197 42.646 89.897  1 60.043  ? 127 A 1 c
ATOM 1872 H HA   . GLU Axp A 119 ? 39.169 41.725 91.486  1 57.012  ? 127 A 1 c
ATOM 1873 H HB3  . GLU Axp A 119 ? 39.898 43.817 91.913  1 59.002  ? 127 A 1 c
ATOM 1874 H HB2  . GLU Axp A 119 ? 38.458 44.457 91.76   1 58.989  ? 127 A 1 c
ATOM 1875 H HG3  . GLU Axp A 119 ? 39.716 43.379 89.461  1 66.622  ? 127 A 1 c
ATOM 1876 H HG2  . GLU Axp A 119 ? 40.097 44.855 89.934  1 66.685  ? 127 A 1 c
ATOM 1877 N N    . ASP Axp A 120 ? 36.654 42.995 92.999  1 51.864  ? 128 A 1 .
ATOM 1878 C CA   . ASP Axp A 120 ? 35.852 42.993 94.203  1 52.212  ? 128 A 1 .
ATOM 1879 C C    . ASP Axp A 120 ? 35.771 41.572 94.746  1 52.973  ? 128 A 1 .
ATOM 1880 O O    . ASP Axp A 120 ? 35.993 41.365 95.942  1 44.402  ? 128 A 1 .
ATOM 1881 C CB   . ASP Axp A 120 ? 34.498 43.613 93.919  1 48.954  ? 128 A 1 .
ATOM 1882 C CG   . ASP Axp A 120 ? 34.499 45.131 93.923  1 54.609  ? 128 A 1 .
ATOM 1883 O OD1  . ASP Axp A 120 ? 35.44  45.736 93.33   1 54.664  ? 128 A 1 .
ATOM 1884 O OD2  . ASP Axp A 120 ? 33.582 45.695 94.568  1 57.968  ? 128 A 1 .
ATOM 1885 H H    . ASP Axp A 120 ? 36.349 43.46  92.273  1 52.646  ? 128 A 1 c
ATOM 1886 H HA   . ASP Axp A 120 ? 36.305 43.552 94.869  1 51.628  ? 128 A 1 c
ATOM 1887 H HB3  . ASP Axp A 120 ? 33.879 43.321 94.618  1 50.89   ? 128 A 1 c
ATOM 1888 H HB2  . ASP Axp A 120 ? 34.158 43.307 93.055  1 50.97   ? 128 A 1 c
ATOM 1889 N N    . ALA Axp A 121 ? 35.465 40.627 93.837  1 54.082  ? 129 A 1 .
ATOM 1890 C CA   . ALA Axp A 121 ? 35.247 39.228 94.184  1 58.553  ? 129 A 1 .
ATOM 1891 C C    . ALA Axp A 121 ? 36.532 38.616 94.718  1 52.096  ? 129 A 1 .
ATOM 1892 O O    . ALA Axp A 121 ? 36.541 38.028 95.802  1 41.188  ? 129 A 1 .
ATOM 1893 C CB   . ALA Axp A 121 ? 34.73  38.436 92.987  1 61.433  ? 129 A 1 .
ATOM 1894 H H    . ALA Axp A 121 ? 35.376 40.873 92.962  1 54.878  ? 129 A 1 c
ATOM 1895 H HA   . ALA Axp A 121 ? 34.567 39.193 94.91   1 56.749  ? 129 A 1 c
ATOM 1896 H HB3  . ALA Axp A 121 ? 34.273 37.637 93.297  1 60.457  ? 129 A 1 c
ATOM 1897 H HB2  . ALA Axp A 121 ? 35.474 38.178 92.417  1 60.443  ? 129 A 1 c
ATOM 1898 H HB1  . ALA Axp A 121 ? 34.109 38.982 92.476  1 60.486  ? 129 A 1 c
ATOM 1899 N N    . VAL Axp A 122 ? 37.597 38.807 93.933  1 52.776  ? 130 A 1 .
ATOM 1900 C CA   . VAL Axp A 122 ? 38.901 38.227 94.196  1 49.61   ? 130 A 1 .
ATOM 1901 C C    . VAL Axp A 122 ? 39.381 38.706 95.558  1 46.8    ? 130 A 1 .
ATOM 1902 O O    . VAL Axp A 122 ? 39.775 37.888 96.381  1 46.505  ? 130 A 1 .
ATOM 1903 C CB   . VAL Axp A 122 ? 39.89  38.584 93.073  1 53.886  ? 130 A 1 .
ATOM 1904 C CG1  . VAL Axp A 122 ? 41.313 38.238 93.445  1 57.605  ? 130 A 1 .
ATOM 1905 C CG2  . VAL Axp A 122 ? 39.535 37.903 91.753  1 56.086  ? 130 A 1 .
ATOM 1906 H H    . VAL Axp A 122 ? 37.5   39.326 93.187  1 52.013  ? 130 A 1 c
ATOM 1907 H HA   . VAL Axp A 122 ? 38.804 37.255 94.226  1 50.402  ? 130 A 1 c
ATOM 1908 H HB   . VAL Axp A 122 ? 39.84  39.56  92.937  1 54.123  ? 130 A 1 c
ATOM 1909 H HG11 . VAL Axp A 122 ? 41.321 37.432 93.986  1 56.523  ? 130 A 1 c
ATOM 1910 H HG12 . VAL Axp A 122 ? 41.704 38.971 93.951  1 56.434  ? 130 A 1 c
ATOM 1911 H HG13 . VAL Axp A 122 ? 41.834 38.091 92.638  1 56.456  ? 130 A 1 c
ATOM 1912 H HG21 . VAL Axp A 122 ? 39.884 38.427 91.013  1 55.423  ? 130 A 1 c
ATOM 1913 H HG22 . VAL Axp A 122 ? 38.569 37.834 91.671  1 55.386  ? 130 A 1 c
ATOM 1914 H HG23 . VAL Axp A 122 ? 39.924 37.013 91.731  1 55.439  ? 130 A 1 c
ATOM 1915 N N    . GLN Axp A 123 ? 39.27  40.015 95.816  1 46.478  ? 131 A 1 .
ATOM 1916 C CA   . GLN Axp A 123 ? 39.668 40.568 97.105  1 46.419  ? 131 A 1 .
ATOM 1917 C C    . GLN Axp A 123 ? 38.827 39.98  98.231  1 46.093  ? 131 A 1 .
ATOM 1918 O O    . GLN Axp A 123 ? 39.365 39.587 99.258  1 45.656  ? 131 A 1 .
ATOM 1919 C CB   . GLN Axp A 123 ? 39.541 42.091 97.157  1 48.636  ? 131 A 1 .
ATOM 1920 C CG   . GLN Axp A 123 ? 40.548 42.827 96.283  1 50.886  ? 131 A 1 .
ATOM 1921 C CD   . GLN Axp A 123 ? 41.942 42.845 96.87   1 49.292  ? 131 A 1 .
ATOM 1922 O OE1  . GLN Axp A 123 ? 42.524 41.821 97.249  1 49.129  ? 131 A 1 .
ATOM 1923 N NE2  . GLN Axp A 123 ? 42.489 44.04  96.955  1 52.622  ? 131 A 1 .
ATOM 1924 H H    . GLN Axp A 123 ? 38.945 40.578 95.174  1 46.613  ? 131 A 1 c
ATOM 1925 H HA   . GLN Axp A 123 ? 40.612 40.322 97.265  1 46.783  ? 131 A 1 c
ATOM 1926 H HB3  . GLN Axp A 123 ? 39.653 42.385 98.085  1 48.61   ? 131 A 1 c
ATOM 1927 H HB2  . GLN Axp A 123 ? 38.636 42.339 96.874  1 48.619  ? 131 A 1 c
ATOM 1928 H HG3  . GLN Axp A 123 ? 40.246 43.751 96.151  1 50.027  ? 131 A 1 c
ATOM 1929 H HG2  . GLN Axp A 123 ? 40.584 42.398 95.401  1 50.006  ? 131 A 1 c
ATOM 1930 H HE21 . GLN Axp A 123 ? 43.334 44.157 96.711  1 51.57   ? 131 A 1 c
ATOM 1931 H HE22 . GLN Axp A 123 ? 42.015 44.726 97.253  1 51.556  ? 131 A 1 c
ATOM 1932 N N    . PHE Axp A 124 ? 37.507 39.94  98.015  1 52.798  ? 132 A 1 .
ATOM 1933 C CA   . PHE Axp A 124 ? 36.543 39.469 99      1 56.394  ? 132 A 1 .
ATOM 1934 C C    . PHE Axp A 124 ? 36.89  38.05  99.447  1 51.936  ? 132 A 1 .
ATOM 1935 O O    . PHE Axp A 124 ? 36.666 37.705 100.609 1 45.445  ? 132 A 1 .
ATOM 1936 C CB   . PHE Axp A 124 ? 35.119 39.553 98.424  1 57.705  ? 132 A 1 .
ATOM 1937 C CG   . PHE Axp A 124 ? 34.018 39.345 99.453  1 51.106  ? 132 A 1 .
ATOM 1938 C CD1  . PHE Axp A 124 ? 33.728 40.324 100.371 1 51.449  ? 132 A 1 .
ATOM 1939 C CD2  . PHE Axp A 124 ? 33.286 38.172 99.507  1 58.535  ? 132 A 1 .
ATOM 1940 C CE1  . PHE Axp A 124 ? 32.755 40.129 101.327 1 60.149  ? 132 A 1 .
ATOM 1941 C CE2  . PHE Axp A 124 ? 32.313 37.978 100.47  1 60.64   ? 132 A 1 .
ATOM 1942 C CZ   . PHE Axp A 124 ? 32.043 38.963 101.369 1 62.159  ? 132 A 1 .
ATOM 1943 H H    . PHE Axp A 124 ? 37.19  40.227 97.207  1 51.872  ? 132 A 1 c
ATOM 1944 H HA   . PHE Axp A 124 ? 36.593 40.067 99.793  1 55.07   ? 132 A 1 c
ATOM 1945 H HB3  . PHE Axp A 124 ? 35.027 38.875 97.719  1 55.742  ? 132 A 1 c
ATOM 1946 H HB2  . PHE Axp A 124 ? 35.001 40.436 98.011  1 55.714  ? 132 A 1 c
ATOM 1947 H HD1  . PHE Axp A 124 ? 34.218 41.131 100.36  1 53.453  ? 132 A 1 c
ATOM 1948 H HD2  . PHE Axp A 124 ? 33.476 37.481 98.893  1 57.144  ? 132 A 1 c
ATOM 1949 H HE1  . PHE Axp A 124 ? 32.567 40.814 101.948 1 58.405  ? 132 A 1 c
ATOM 1950 H HE2  . PHE Axp A 124 ? 31.822 37.172 100.489 1 60.377  ? 132 A 1 c
ATOM 1951 H HZ   . PHE Axp A 124 ? 31.369 38.842 102.018 1 61.011  ? 132 A 1 c
ATOM 1952 N N    . ILE Axp A 125 ? 37.405 37.248 98.505  1 50.759  ? 133 A 1 .
ATOM 1953 C CA   . ILE Axp A 125 ? 37.766 35.866 98.765  1 51.171  ? 133 A 1 .
ATOM 1954 C C    . ILE Axp A 125 ? 39.143 35.777 99.419  1 51.982  ? 133 A 1 .
ATOM 1955 O O    . ILE Axp A 125 ? 39.324 34.977 100.335 1 54.495  ? 133 A 1 .
ATOM 1956 C CB   . ILE Axp A 125 ? 37.72  35.042 97.475  1 52.974  ? 133 A 1 .
ATOM 1957 C CG1  . ILE Axp A 125 ? 36.287 34.75  97.094  1 55.524  ? 133 A 1 .
ATOM 1958 C CG2  . ILE Axp A 125 ? 38.537 33.758 97.623  1 58.291  ? 133 A 1 .
ATOM 1959 C CD1  . ILE Axp A 125 ? 36.151 34.046 95.752  1 58.818  ? 133 A 1 .
ATOM 1960 H H    . ILE Axp A 125 ? 37.521 37.575 97.66   1 51.183  ? 133 A 1 c
ATOM 1961 H HA   . ILE Axp A 125 ? 37.11  35.492 99.385  1 51.595  ? 133 A 1 c
ATOM 1962 H HB   . ILE Axp A 125 ? 38.119 35.576 96.76   1 54.13   ? 133 A 1 c
ATOM 1963 H HG12 . ILE Axp A 125 ? 35.791 35.593 97.061  1 55.622  ? 133 A 1 c
ATOM 1964 H HG13 . ILE Axp A 125 ? 35.883 34.19  97.788  1 55.621  ? 133 A 1 c
ATOM 1965 H HG21 . ILE Axp A 125 ? 38.378 33.177 96.861  1 56.686  ? 133 A 1 c
ATOM 1966 H HG22 . ILE Axp A 125 ? 38.276 33.296 98.438  1 56.651  ? 133 A 1 c
ATOM 1967 H HG23 . ILE Axp A 125 ? 39.484 33.974 97.664  1 56.648  ? 133 A 1 c
ATOM 1968 H HD11 . ILE Axp A 125 ? 36.685 34.519 95.087  1 58.008  ? 133 A 1 c
ATOM 1969 H HD12 . ILE Axp A 125 ? 35.214 34.053 95.478  1 57.869  ? 133 A 1 c
ATOM 1970 H HD13 . ILE Axp A 125 ? 36.459 33.123 95.821  1 57.868  ? 133 A 1 c
ATOM 1971 N N    . ARG Axp A 126 ? 40.117 36.558 98.939  1 50.586  ? 134 A 1 .
ATOM 1972 C CA   . ARG Axp A 126 ? 41.466 36.495 99.49   1 51.246  ? 134 A 1 .
ATOM 1973 C C    . ARG Axp A 126 ? 41.446 36.933 100.953 1 53.269  ? 134 A 1 .
ATOM 1974 O O    . ARG Axp A 126 ? 42.328 36.605 101.742 1 54.858  ? 134 A 1 .
ATOM 1975 C CB   . ARG Axp A 126 ? 42.429 37.367 98.681  1 51.482  ? 134 A 1 .
ATOM 1976 C CG   . ARG Axp A 126 ? 42.737 36.73  97.338  1 54.937  ? 134 A 1 .
ATOM 1977 C CD   . ARG Axp A 126 ? 43.75  37.54  96.56   1 59.044  ? 134 A 1 .
ATOM 1978 N NE   . ARG Axp A 126 ? 44.363 36.709 95.521  1 60.928  ? 134 A 1 .
ATOM 1979 C CZ   . ARG Axp A 126 ? 45.234 37.162 94.63   1 69.215  ? 134 A 1 .
ATOM 1980 N NH1  . ARG Axp A 126 ? 45.585 38.441 94.617  1 71.266  ? 134 A 1 .
ATOM 1981 N NH2  . ARG Axp A 126 ? 45.73  36.335 93.724  1 67.398  ? 134 A 1 .
ATOM 1982 H H    . ARG Axp A 126 ? 39.943 37.137 98.254  1 51.074  ? 134 A 1 c
ATOM 1983 H HA   . ARG Axp A 126 ? 41.772 35.557 99.44   1 52.007  ? 134 A 1 c
ATOM 1984 H HB3  . ARG Axp A 126 ? 43.264 37.486 99.183  1 52.241  ? 134 A 1 c
ATOM 1985 H HB2  . ARG Axp A 126 ? 42.029 38.251 98.537  1 52.199  ? 134 A 1 c
ATOM 1986 H HG3  . ARG Axp A 126 ? 41.912 36.656 96.813  1 54.991  ? 134 A 1 c
ATOM 1987 H HG2  . ARG Axp A 126 ? 43.091 35.825 97.482  1 55.083  ? 134 A 1 c
ATOM 1988 H HD3  . ARG Axp A 126 ? 44.445 37.873 97.164  1 58.45   ? 134 A 1 c
ATOM 1989 H HD2  . ARG Axp A 126 ? 43.309 38.309 96.144  1 58.563  ? 134 A 1 c
ATOM 1990 H HE   . ARG Axp A 126 ? 44.145 35.866 95.481  1 62.264  ? 134 A 1 c
ATOM 1991 H HH11 . ARG Axp A 126 ? 46.039 38.779 95.296  1 70.559  ? 134 A 1 c
ATOM 1992 H HH12 . ARG Axp A 126 ? 45.363 38.95  93.929  1 70.612  ? 134 A 1 c
ATOM 1993 H HH21 . ARG Axp A 126 ? 45.976 35.52  93.961  1 67.952  ? 134 A 1 c
ATOM 1994 H HH22 . ARG Axp A 126 ? 45.813 36.602 92.885  1 67.952  ? 134 A 1 c
ATOM 1995 N N    . GLN Axp A 127 ? 40.425 37.707 101.31  1 54.391  ? 135 A 1 .
ATOM 1996 C CA   . GLN Axp A 127 ? 40.229 38.091 102.692 1 57.834  ? 135 A 1 .
ATOM 1997 C C    . GLN Axp A 127 ? 40.233 36.845 103.572 1 57.638  ? 135 A 1 .
ATOM 1998 O O    . GLN Axp A 127 ? 40.756 36.866 104.681 1 62.444  ? 135 A 1 .
ATOM 1999 C CB   . GLN Axp A 127 ? 38.894 38.819 102.793 1 62.114  ? 135 A 1 .
ATOM 2000 C CG   . GLN Axp A 127 ? 39.026 40.171 103.465 1 57.961  ? 135 A 1 .
ATOM 2001 C CD   . GLN Axp A 127 ? 39.305 40.035 104.929 1 59.519  ? 135 A 1 .
ATOM 2002 O OE1  . GLN Axp A 127 ? 39.151 38.959 105.505 1 63.178  ? 135 A 1 .
ATOM 2003 N NE2  . GLN Axp A 127 ? 39.717 41.131 105.534 1 69.031  ? 135 A 1 .
ATOM 2004 H H    . GLN Axp A 127 ? 39.854 38.029 100.674 1 54.898  ? 135 A 1 c
ATOM 2005 H HA   . GLN Axp A 127 ? 40.971 38.688 102.965 1 57.862  ? 135 A 1 c
ATOM 2006 H HB3  . GLN Axp A 127 ? 38.261 38.267 103.299 1 60.212  ? 135 A 1 c
ATOM 2007 H HB2  . GLN Axp A 127 ? 38.526 38.947 101.895 1 59.989  ? 135 A 1 c
ATOM 2008 H HG3  . GLN Axp A 127 ? 38.204 40.691 103.33  1 59.229  ? 135 A 1 c
ATOM 2009 H HG2  . GLN Axp A 127 ? 39.762 40.649 103.054 1 59.231  ? 135 A 1 c
ATOM 2010 H HE21 . GLN Axp A 127 ? 40.492 41.126 105.958 1 65.935  ? 135 A 1 c
ATOM 2011 H HE22 . GLN Axp A 127 ? 39.213 41.859 105.523 1 65.932  ? 135 A 1 c
ATOM 2012 N N    . LYS Axp A 128 ? 39.66  35.762 103.039 1 58.724  ? 136 A 1 .
ATOM 2013 C CA   . LYS Axp A 128 ? 39.502 34.52  103.765 1 64.083  ? 136 A 1 .
ATOM 2014 C C    . LYS Axp A 128 ? 40.522 33.462 103.338 1 66.377  ? 136 A 1 .
ATOM 2015 O O    . LYS Axp A 128 ? 40.716 32.537 104.114 1 63.331  ? 136 A 1 .
ATOM 2016 C CB   . LYS Axp A 128 ? 38.069 33.996 103.605 1 69.762  ? 136 A 1 .
ATOM 2017 C CG   . LYS Axp A 128 ? 37.017 34.566 104.545 1 68.03   ? 136 A 1 .
ATOM 2018 C CD   . LYS Axp A 128 ? 36.721 36.038 104.305 1 84.776  ? 136 A 1 .
ATOM 2019 C CE   . LYS Axp A 128 ? 35.321 36.436 104.728 1 103.352 ? 136 A 1 .
ATOM 2020 N NZ   . LYS Axp A 128 ? 35.013 36.274 106.155 1 105.949 ? 136 A 1 .
ATOM 2021 H H    . LYS Axp A 128 ? 39.328 35.81  102.19  1 59.665  ? 136 A 1 c
ATOM 2022 H HA   . LYS Axp A 128 ? 39.643 34.707 104.728 1 64.353  ? 136 A 1 c
ATOM 2023 H HB3  . LYS Axp A 128 ? 38.084 33.022 103.725 1 68.059  ? 136 A 1 c
ATOM 2024 H HB2  . LYS Axp A 128 ? 37.779 34.17  102.684 1 68.017  ? 136 A 1 c
ATOM 2025 H HG3  . LYS Axp A 128 ? 37.327 34.448 105.47  1 71.942  ? 136 A 1 c
ATOM 2026 H HG2  . LYS Axp A 128 ? 36.19  34.051 104.437 1 71.933  ? 136 A 1 c
ATOM 2027 H HD3  . LYS Axp A 128 ? 36.833 36.235 103.349 1 84.157  ? 136 A 1 c
ATOM 2028 H HD2  . LYS Axp A 128 ? 37.371 36.579 104.802 1 84.321  ? 136 A 1 c
ATOM 2029 H HE3  . LYS Axp A 128 ? 34.682 35.909 104.216 1 99.37   ? 136 A 1 c
ATOM 2030 H HE2  . LYS Axp A 128 ? 35.181 37.371 104.49  1 99.37   ? 136 A 1 c
ATOM 2031 H HZ1  . LYS Axp A 128 ? 35.728 36.524 106.652 1 105.014 ? 136 A 1 c
ATOM 2032 H HZ2  . LYS Axp A 128 ? 34.819 35.406 106.329 1 105.113 ? 136 A 1 c
ATOM 2033 H HZ3  . LYS Axp A 128 ? 34.301 36.789 106.375 1 105.113 ? 136 A 1 c
ATOM 2034 N N    . ARG Axp A 129 ? 41.137 33.559 102.142 1 74.051  ? 137 A 1 .
ATOM 2035 C CA   . ARG Axp A 129 ? 42.086 32.548 101.675 1 83.627  ? 137 A 1 .
ATOM 2036 C C    . ARG Axp A 129 ? 43.496 33.114 101.526 1 92.08   ? 137 A 1 .
ATOM 2037 O O    . ARG Axp A 129 ? 44.481 32.418 101.757 1 119.133 ? 137 A 1 .
ATOM 2038 C CB   . ARG Axp A 129 ? 41.722 31.976 100.304 1 91.528  ? 137 A 1 .
ATOM 2039 C CG   . ARG Axp A 129 ? 42.417 30.672 99.934  1 102.989 ? 137 A 1 .
ATOM 2040 C CD   . ARG Axp A 129 ? 41.94  29.474 100.771 1 108.353 ? 137 A 1 .
ATOM 2041 N NE   . ARG Axp A 129 ? 42.792 29.212 101.937 1 117.458 ? 137 A 1 .
ATOM 2042 C CZ   . ARG Axp A 129 ? 44.03  28.693 101.905 1 125.475 ? 137 A 1 .
ATOM 2043 N NH1  . ARG Axp A 129 ? 44.597 28.294 100.773 1 114.009 ? 137 A 1 .
ATOM 2044 N NH2  . ARG Axp A 129 ? 44.705 28.564 103.033 1 133.105 ? 137 A 1 .
ATOM 2045 H H    . ARG Axp A 129 ? 40.942 34.264 101.595 1 73.999  ? 137 A 1 c
ATOM 2046 H HA   . ARG Axp A 129 ? 42.111 31.809 102.334 1 84.471  ? 137 A 1 c
ATOM 2047 H HB3  . ARG Axp A 129 ? 41.935 32.647 99.621  1 92.011  ? 137 A 1 c
ATOM 2048 H HB2  . ARG Axp A 129 ? 40.752 31.829 100.279 1 92.195  ? 137 A 1 c
ATOM 2049 H HG3  . ARG Axp A 129 ? 43.386 30.777 100.051 1 101.574 ? 137 A 1 c
ATOM 2050 H HG2  . ARG Axp A 129 ? 42.253 30.478 98.988  1 101.068 ? 137 A 1 c
ATOM 2051 H HD3  . ARG Axp A 129 ? 41.92  28.681 100.205 1 109.27  ? 137 A 1 c
ATOM 2052 H HD2  . ARG Axp A 129 ? 41.025 29.642 101.075 1 108.382 ? 137 A 1 c
ATOM 2053 H HE   . ARG Axp A 129 ? 42.469 29.409 102.721 1 117.06  ? 137 A 1 c
ATOM 2054 H HH11 . ARG Axp A 129 ? 44.384 28.676 100.005 1 117.23  ? 137 A 1 c
ATOM 2055 H HH12 . ARG Axp A 129 ? 45.198 27.646 100.792 1 117.773 ? 137 A 1 c
ATOM 2056 H HH21 . ARG Axp A 129 ? 44.3   28.251 103.754 1 130.595 ? 137 A 1 c
ATOM 2057 H HH22 . ARG Axp A 129 ? 45.559 28.791 103.062 1 130.682 ? 137 A 1 c
ATOM 2058 N N    . ARG Axp A 130 ? 43.6   34.348 101.042 1 92.478  ? 138 A 1 .
ATOM 2059 C CA   . ARG Axp A 130 ? 44.869 35.061 101     1 104.016 ? 138 A 1 .
ATOM 2060 C C    . ARG Axp A 130 ? 45.703 34.558 99.819  1 88.15   ? 138 A 1 .
ATOM 2061 O O    . ARG Axp A 130 ? 46.258 35.346 99.063  1 94.983  ? 138 A 1 .
ATOM 2062 C CB   . ARG Axp A 130 ? 45.576 35.006 102.366 1 103.271 ? 138 A 1 .
ATOM 2063 C CG   . ARG Axp A 130 ? 46.733 34.029 102.516 1 105.076 ? 138 A 1 .
ATOM 2064 C CD   . ARG Axp A 130 ? 48.078 34.712 102.334 1 113.522 ? 138 A 1 .
ATOM 2065 N NE   . ARG Axp A 130 ? 48.681 35.121 103.611 1 120.819 ? 138 A 1 .
ATOM 2066 C CZ   . ARG Axp A 130 ? 49.415 34.351 104.423 1 100.583 ? 138 A 1 .
ATOM 2067 N NH1  . ARG Axp A 130 ? 49.713 33.103 104.11  1 96.378  ? 138 A 1 .
ATOM 2068 N NH2  . ARG Axp A 130 ? 49.888 34.852 105.541 1 93.663  ? 138 A 1 .
ATOM 2069 H H    . ARG Axp A 130 ? 42.856 34.76  100.715 1 93.058  ? 138 A 1 c
ATOM 2070 H HA   . ARG Axp A 130 ? 44.666 36.015 100.828 1 98.137  ? 138 A 1 c
ATOM 2071 H HB3  . ARG Axp A 130 ? 44.905 34.791 103.048 1 103.736 ? 138 A 1 c
ATOM 2072 H HB2  . ARG Axp A 130 ? 45.908 35.907 102.566 1 103.945 ? 138 A 1 c
ATOM 2073 H HG3  . ARG Axp A 130 ? 46.651 33.306 101.862 1 106.045 ? 138 A 1 c
ATOM 2074 H HG2  . ARG Axp A 130 ? 46.699 33.627 103.412 1 106.512 ? 138 A 1 c
ATOM 2075 H HD3  . ARG Axp A 130 ? 47.963 35.501 101.767 1 113.058 ? 138 A 1 c
ATOM 2076 H HD2  . ARG Axp A 130 ? 48.686 34.1   101.872 1 113.083 ? 138 A 1 c
ATOM 2077 H HE   . ARG Axp A 130 ? 48.55  35.941 103.867 1 113.853 ? 138 A 1 c
ATOM 2078 H HH11 . ARG Axp A 130 ? 49.065 32.521 103.962 1 97.653  ? 138 A 1 c
ATOM 2079 H HH12 . ARG Axp A 130 ? 50.56  32.855 104.051 1 97.653  ? 138 A 1 c
ATOM 2080 H HH21 . ARG Axp A 130 ? 50.592 35.385 105.52  1 95.738  ? 138 A 1 c
ATOM 2081 H HH22 . ARG Axp A 130 ? 49.499 34.653 106.31  1 95.74   ? 138 A 1 c
ATOM 2082 N N    . GLY Axp A 131 ? 45.793 33.249 99.636  1 74.771  ? 139 A 1 .
ATOM 2083 C CA   . GLY Axp A 131 ? 46.64  32.743 98.577  1 80.125  ? 139 A 1 .
ATOM 2084 C C    . GLY Axp A 131 ? 45.862 32.381 97.314  1 84.807  ? 139 A 1 .
ATOM 2085 O O    . GLY Axp A 131 ? 46.444 31.904 96.333  1 82.854  ? 139 A 1 .
ATOM 2086 H H    . GLY Axp A 131 ? 45.338 32.662 100.167 1 79.503  ? 139 A 1 c
ATOM 2087 H HA3  . GLY Axp A 131 ? 47.112 31.942 98.906  1 79.843  ? 139 A 1 c
ATOM 2088 H HA2  . GLY Axp A 131 ? 47.323 33.419 98.355  1 79.958  ? 139 A 1 c
ATOM 2089 N N    . ALA Axp A 132 ? 44.539 32.57  97.359  1 79.692  ? 140 A 1 .
ATOM 2090 C CA   . ALA Axp A 132 ? 43.676 32.044 96.316  1 68.781  ? 140 A 1 .
ATOM 2091 C C    . ALA Axp A 132 ? 43.95  32.771 95.006  1 63.938  ? 140 A 1 .
ATOM 2092 O O    . ALA Axp A 132 ? 44.295 33.946 95.02   1 63.401  ? 140 A 1 .
ATOM 2093 C CB   . ALA Axp A 132 ? 42.232 32.195 96.721  1 77.688  ? 140 A 1 .
ATOM 2094 H H    . ALA Axp A 132 ? 44.167 33.04  98.048  1 78.24   ? 140 A 1 c
ATOM 2095 H HA   . ALA Axp A 132 ? 43.885 31.077 96.192  1 71.515  ? 140 A 1 c
ATOM 2096 H HB3  . ALA Axp A 132 ? 41.686 32.352 95.932  1 74.936  ? 140 A 1 c
ATOM 2097 H HB2  . ALA Axp A 132 ? 42.136 32.947 97.329  1 75.122  ? 140 A 1 c
ATOM 2098 H HB1  . ALA Axp A 132 ? 41.93  31.385 97.161  1 75.149  ? 140 A 1 c
ATOM 2099 N N    . PHE Axp A 133 ? 43.769 32.06  93.887  1 67.829  ? 141 A 1 .
ATOM 2100 C CA   . PHE Axp A 133 ? 43.835 32.62  92.541  1 75.762  ? 141 A 1 .
ATOM 2101 C C    . PHE Axp A 133 ? 45.28  32.845 92.106  1 71.824  ? 141 A 1 .
ATOM 2102 O O    . PHE Axp A 133 ? 46.035 33.547 92.764  1 78.527  ? 141 A 1 .
ATOM 2103 C CB   . PHE Axp A 133 ? 43.088 33.944 92.348  1 80.736  ? 141 A 1 .
ATOM 2104 C CG   . PHE Axp A 133 ? 41.632 33.848 92.777  1 77.788  ? 141 A 1 .
ATOM 2105 C CD1  . PHE Axp A 133 ? 40.769 32.954 92.149  1 73.803  ? 141 A 1 .
ATOM 2106 C CD2  . PHE Axp A 133 ? 41.149 34.623 93.821  1 70.158  ? 141 A 1 .
ATOM 2107 C CE1  . PHE Axp A 133 ? 39.452 32.86  92.54   1 69.783  ? 141 A 1 .
ATOM 2108 C CE2  . PHE Axp A 133 ? 39.83  34.518 94.215  1 69.594  ? 141 A 1 .
ATOM 2109 C CZ   . PHE Axp A 133 ? 38.994 33.628 93.582  1 75.145  ? 141 A 1 .
ATOM 2110 H H    . PHE Axp A 133 ? 43.591 31.167 93.969  1 68.604  ? 141 A 1 c
ATOM 2111 H HA   . PHE Axp A 133 ? 43.429 31.958 91.926  1 74.058  ? 141 A 1 c
ATOM 2112 H HB3  . PHE Axp A 133 ? 43.127 34.19  91.398  1 78.584  ? 141 A 1 c
ATOM 2113 H HB2  . PHE Axp A 133 ? 43.537 34.646 92.867  1 78.54   ? 141 A 1 c
ATOM 2114 H HD1  . PHE Axp A 133 ? 41.086 32.419 91.439  1 73.72   ? 141 A 1 c
ATOM 2115 H HD2  . PHE Axp A 133 ? 41.726 35.224 94.263  1 71.697  ? 141 A 1 c
ATOM 2116 H HE1  . PHE Axp A 133 ? 38.874 32.253 92.109  1 71.936  ? 141 A 1 c
ATOM 2117 H HE2  . PHE Axp A 133 ? 39.507 35.049 94.925  1 70.906  ? 141 A 1 c
ATOM 2118 H HZ   . PHE Axp A 133 ? 38.093 33.564 93.846  1 72.246  ? 141 A 1 c
ATOM 2119 N N    . ASN Axp A 134 ? 45.62  32.291 90.942  1 64.079  ? 142 A 1 .
ATOM 2120 C CA   . ASN Axp A 134 ? 46.916 32.476 90.32   1 62.277  ? 142 A 1 .
ATOM 2121 C C    . ASN Axp A 134 ? 46.746 33.355 89.08   1 62.917  ? 142 A 1 .
ATOM 2122 O O    . ASN Axp A 134 ? 45.629 33.697 88.746  1 73.383  ? 142 A 1 .
ATOM 2123 C CB   . ASN Axp A 134 ? 47.502 31.117 89.98   1 61.322  ? 142 A 1 .
ATOM 2124 C CG   . ASN Axp A 134 ? 46.691 30.471 88.889  1 63.254  ? 142 A 1 .
ATOM 2125 O OD1  . ASN Axp A 134 ? 46.333 31.152 87.919  1 72.758  ? 142 A 1 .
ATOM 2126 N ND2  . ASN Axp A 134 ? 46.361 29.196 89.045  1 58.967  ? 142 A 1 .
ATOM 2127 H H    . ASN Axp A 134 ? 45.004 31.772 90.51   1 65.457  ? 142 A 1 c
ATOM 2128 H HA   . ASN Axp A 134 ? 47.521 32.921 90.956  1 62.695  ? 142 A 1 c
ATOM 2129 H HB3  . ASN Axp A 134 ? 47.496 30.548 90.776  1 61.956  ? 142 A 1 c
ATOM 2130 H HB2  . ASN Axp A 134 ? 48.427 31.223 89.682  1 62.02   ? 142 A 1 c
ATOM 2131 H HD21 . ASN Axp A 134 ? 46.29  28.669 88.336  1 60.259  ? 142 A 1 c
ATOM 2132 H HD22 . ASN Axp A 134 ? 46.213 28.871 89.857  1 60.274  ? 142 A 1 c
ATOM 2133 N N    . SER Axp A 135 ? 47.829 33.679 88.366  1 71.003  ? 143 A 1 .
ATOM 2134 C CA   . SER Axp A 135 ? 47.767 34.608 87.244  1 74.755  ? 143 A 1 .
ATOM 2135 C C    . SER Axp A 135 ? 46.907 34.082 86.095  1 68.697  ? 143 A 1 .
ATOM 2136 O O    . SER Axp A 135 ? 46.195 34.869 85.487  1 61.576  ? 143 A 1 .
ATOM 2137 C CB   . SER Axp A 135 ? 49.144 34.973 86.743  1 78.782  ? 143 A 1 .
ATOM 2138 O OG   . SER Axp A 135 ? 49.783 35.823 87.675  1 85.444  ? 143 A 1 .
ATOM 2139 H H    . SER Axp A 135 ? 48.635 33.31  88.587  1 69.749  ? 143 A 1 c
ATOM 2140 H HA   . SER Axp A 135 ? 47.341 35.439 87.576  1 73.452  ? 143 A 1 c
ATOM 2141 H HB3  . SER Axp A 135 ? 49.069 35.428 85.882  1 79.299  ? 143 A 1 c
ATOM 2142 H HB2  . SER Axp A 135 ? 49.673 34.162 86.62   1 79.297  ? 143 A 1 c
ATOM 2143 H HG   . SER Axp A 135 ? 50.869 35.428 87.645  0 82.07   ? 143 A 1 c
ATOM 2144 N N    . LYS Axp A 136 ? 47.008 32.792 85.761  1 64.156  ? 144 A 1 .
ATOM 2145 C CA   . LYS Axp A 136 ? 46.185 32.218 84.704  1 70.208  ? 144 A 1 .
ATOM 2146 C C    . LYS Axp A 136 ? 44.704 32.415 85.061  1 71.275  ? 144 A 1 .
ATOM 2147 O O    . LYS Axp A 136 ? 43.952 32.937 84.234  1 71.709  ? 144 A 1 .
ATOM 2148 C CB   . LYS Axp A 136 ? 46.548 30.739 84.502  1 82.603  ? 144 A 1 .
ATOM 2149 C CG   . LYS Axp A 136 ? 46.104 30.033 83.215  1 94.388  ? 144 A 1 .
ATOM 2150 C CD   . LYS Axp A 136 ? 44.625 30.126 82.846  1 121.136 ? 144 A 1 .
ATOM 2151 C CE   . LYS Axp A 136 ? 44.399 29.937 81.363  1 129.729 ? 144 A 1 .
ATOM 2152 N NZ   . LYS Axp A 136 ? 43.029 30.202 80.908  1 121.129 ? 144 A 1 .
ATOM 2153 H H    . LYS Axp A 136 ? 47.604 32.256 86.2    1 66.832  ? 144 A 1 c
ATOM 2154 H HA   . LYS Axp A 136 ? 46.374 32.709 83.864  1 71.198  ? 144 A 1 c
ATOM 2155 H HB3  . LYS Axp A 136 ? 46.178 30.237 85.259  1 81.951  ? 144 A 1 c
ATOM 2156 H HB2  . LYS Axp A 136 ? 47.525 30.662 84.559  1 81.812  ? 144 A 1 c
ATOM 2157 H HG3  . LYS Axp A 136 ? 46.342 29.084 83.294  1 97.012  ? 144 A 1 c
ATOM 2158 H HG2  . LYS Axp A 136 ? 46.633 30.399 82.474  1 97.278  ? 144 A 1 c
ATOM 2159 H HD3  . LYS Axp A 136 ? 44.276 31     83.107  1 115.241 ? 144 A 1 c
ATOM 2160 H HD2  . LYS Axp A 136 ? 44.126 29.438 83.338  1 116.068 ? 144 A 1 c
ATOM 2161 H HE3  . LYS Axp A 136 ? 44.636 29.026 81.118  1 125.625 ? 144 A 1 c
ATOM 2162 H HE2  . LYS Axp A 136 ? 44.999 30.532 80.878  1 125.433 ? 144 A 1 c
ATOM 2163 H HZ1  . LYS Axp A 136 ? 42.97  31.053 80.602  1 123.702 ? 144 A 1 c
ATOM 2164 H HZ2  . LYS Axp A 136 ? 42.449 30.097 81.595  1 123.678 ? 144 A 1 c
ATOM 2165 H HZ3  . LYS Axp A 136 ? 42.815 29.633 80.237  1 123.69  ? 144 A 1 c
ATOM 2166 N N    . GLN Axp A 137 ? 44.322 32.02  86.295  1 63.696  ? 145 A 1 .
ATOM 2167 C CA   . GLN Axp A 137 ? 42.97  32.134 86.83   1 58.279  ? 145 A 1 .
ATOM 2168 C C    . GLN Axp A 137 ? 42.501 33.594 86.924  1 57.517  ? 145 A 1 .
ATOM 2169 O O    . GLN Axp A 137 ? 41.388 33.911 86.545  1 61.934  ? 145 A 1 .
ATOM 2170 C CB   . GLN Axp A 137 ? 42.868 31.515 88.221  1 58.372  ? 145 A 1 .
ATOM 2171 C CG   . GLN Axp A 137 ? 43.35  30.071 88.308  1 57.485  ? 145 A 1 .
ATOM 2172 C CD   . GLN Axp A 137 ? 43.38  29.52  89.725  1 59.823  ? 145 A 1 .
ATOM 2173 O OE1  . GLN Axp A 137 ? 43.881 30.121 90.684  1 62.078  ? 145 A 1 .
ATOM 2174 N NE2  . GLN Axp A 137 ? 42.835 28.328 89.883  1 57.016  ? 145 A 1 .
ATOM 2175 H H    . GLN Axp A 137 ? 44.965 31.666 86.84   1 64.018  ? 145 A 1 c
ATOM 2176 H HA   . GLN Axp A 137 ? 42.357 31.647 86.223  1 59.175  ? 145 A 1 c
ATOM 2177 H HB3  . GLN Axp A 137 ? 41.933 31.553 88.511  1 58.156  ? 145 A 1 c
ATOM 2178 H HB2  . GLN Axp A 137 ? 43.393 32.06  88.843  1 58.209  ? 145 A 1 c
ATOM 2179 H HG3  . GLN Axp A 137 ? 44.243 30.001 87.924  1 58.397  ? 145 A 1 c
ATOM 2180 H HG2  . GLN Axp A 137 ? 42.755 29.506 87.77   1 58.241  ? 145 A 1 c
ATOM 2181 H HE21 . GLN Axp A 137 ? 42.373 28.151 90.617  1 58.131  ? 145 A 1 c
ATOM 2182 H HE22 . GLN Axp A 137 ? 42.935 27.706 89.258  1 57.927  ? 145 A 1 c
ATOM 2183 N N    . LEU Axp A 138 ? 43.34  34.512 87.4    1 56.154  ? 146 A 1 .
ATOM 2184 C CA   . LEU Axp A 138 ? 42.978 35.924 87.422  1 59.171  ? 146 A 1 .
ATOM 2185 C C    . LEU Axp A 138 ? 42.521 36.376 86.047  1 59.942  ? 146 A 1 .
ATOM 2186 O O    . LEU Axp A 138 ? 41.546 37.117 85.948  1 62.016  ? 146 A 1 .
ATOM 2187 C CB   . LEU Axp A 138 ? 44.104 36.852 87.865  1 55.199  ? 146 A 1 .
ATOM 2188 C CG   . LEU Axp A 138 ? 44.347 36.963 89.374  1 57.587  ? 146 A 1 .
ATOM 2189 C CD1  . LEU Axp A 138 ? 45.109 38.268 89.599  1 61.969  ? 146 A 1 .
ATOM 2190 C CD2  . LEU Axp A 138 ? 43.116 36.887 90.288  1 53.393  ? 146 A 1 .
ATOM 2191 H H    . LEU Axp A 138 ? 44.156 34.258 87.723  1 57.176  ? 146 A 1 c
ATOM 2192 H HA   . LEU Axp A 138 ? 42.214 36.029 88.041  1 57.95   ? 146 A 1 c
ATOM 2193 H HB3  . LEU Axp A 138 ? 43.913 37.753 87.516  1 56.701  ? 146 A 1 c
ATOM 2194 H HB2  . LEU Axp A 138 ? 44.937 36.545 87.44   1 56.64   ? 146 A 1 c
ATOM 2195 H HG   . LEU Axp A 138 ? 44.951 36.22  89.635  1 57.117  ? 146 A 1 c
ATOM 2196 H HD11 . LEU Axp A 138 ? 45.873 38.307 88.999  1 60.608  ? 146 A 1 c
ATOM 2197 H HD12 . LEU Axp A 138 ? 45.42  38.308 90.52   1 60.633  ? 146 A 1 c
ATOM 2198 H HD13 . LEU Axp A 138 ? 44.522 39.022 89.424  1 60.612  ? 146 A 1 c
ATOM 2199 H HD21 . LEU Axp A 138 ? 42.721 36.002 90.231  1 54.797  ? 146 A 1 c
ATOM 2200 H HD22 . LEU Axp A 138 ? 42.462 37.551 90.008  1 54.64   ? 146 A 1 c
ATOM 2201 H HD23 . LEU Axp A 138 ? 43.382 37.063 91.206  1 54.65   ? 146 A 1 c
ATOM 2202 N N    . LEU Axp A 139 ? 43.284 35.979 85.026  1 64.433  ? 147 A 1 .
ATOM 2203 C CA   . LEU Axp A 139 ? 43.002 36.383 83.658  1 73.356  ? 147 A 1 .
ATOM 2204 C C    . LEU Axp A 139 ? 41.61  35.914 83.283  1 70.968  ? 147 A 1 .
ATOM 2205 O O    . LEU Axp A 139 ? 40.852 36.7   82.725  1 70.15   ? 147 A 1 .
ATOM 2206 C CB   . LEU Axp A 139 ? 44.024 35.921 82.619  1 78.816  ? 147 A 1 .
ATOM 2207 C CG   . LEU Axp A 139 ? 44.907 37.036 82.043  1 74.956  ? 147 A 1 .
ATOM 2208 C CD1  . LEU Axp A 139 ? 44.019 38.031 81.318  1 76.954  ? 147 A 1 .
ATOM 2209 C CD2  . LEU Axp A 139 ? 45.739 37.743 83.112  1 72.656  ? 147 A 1 .
ATOM 2210 H H    . LEU Axp A 139 ? 44.008 35.445 85.186  1 65.193  ? 147 A 1 c
ATOM 2211 H HA   . LEU Axp A 139 ? 42.982 37.373 83.653  1 72.024  ? 147 A 1 c
ATOM 2212 H HB3  . LEU Axp A 139 ? 43.542 35.487 81.877  1 76.585  ? 147 A 1 c
ATOM 2213 H HB2  . LEU Axp A 139 ? 44.608 35.246 83.036  1 76.458  ? 147 A 1 c
ATOM 2214 H HG   . LEU Axp A 139 ? 45.527 36.632 81.382  1 75.587  ? 147 A 1 c
ATOM 2215 H HD11 . LEU Axp A 139 ? 43.262 37.567 80.923  1 76.356  ? 147 A 1 c
ATOM 2216 H HD12 . LEU Axp A 139 ? 44.53  38.469 80.616  1 76.343  ? 147 A 1 c
ATOM 2217 H HD13 . LEU Axp A 139 ? 43.696 38.7   81.945  1 76.285  ? 147 A 1 c
ATOM 2218 H HD21 . LEU Axp A 139 ? 46.215 37.082 83.643  1 73.327  ? 147 A 1 c
ATOM 2219 H HD22 . LEU Axp A 139 ? 45.156 38.262 83.691  1 73.335  ? 147 A 1 c
ATOM 2220 H HD23 . LEU Axp A 139 ? 46.38  38.336 82.685  1 73.327  ? 147 A 1 c
ATOM 2221 N N    . TYR Axp A 140 ? 41.304 34.653 83.622  1 69.886  ? 148 A 1 .
ATOM 2222 C CA   . TYR Axp A 140 ? 39.984 34.075 83.406  1 66.71   ? 148 A 1 .
ATOM 2223 C C    . TYR Axp A 140 ? 38.908 35.038 83.91   1 70.557  ? 148 A 1 .
ATOM 2224 O O    . TYR Axp A 140 ? 38.168 35.619 83.115  1 77.663  ? 148 A 1 .
ATOM 2225 C CB   . TYR Axp A 140 ? 39.86  32.716 84.1    1 59.828  ? 148 A 1 .
ATOM 2226 C CG   . TYR Axp A 140 ? 38.47  32.135 83.977  1 66.545  ? 148 A 1 .
ATOM 2227 C CD1  . TYR Axp A 140 ? 37.836 32.116 82.743  1 76.73   ? 148 A 1 .
ATOM 2228 C CD2  . TYR Axp A 140 ? 37.775 31.67  85.085  1 71.059  ? 148 A 1 .
ATOM 2229 C CE1  . TYR Axp A 140 ? 36.557 31.607 82.599  1 81.091  ? 148 A 1 .
ATOM 2230 C CE2  . TYR Axp A 140 ? 36.497 31.151 84.954  1 82.855  ? 148 A 1 .
ATOM 2231 C CZ   . TYR Axp A 140 ? 35.883 31.123 83.709  1 86.844  ? 148 A 1 .
ATOM 2232 O OH   . TYR Axp A 140 ? 34.599 30.661 83.576  1 87.873  ? 148 A 1 .
ATOM 2233 H H    . TYR Axp A 140 ? 41.951 34.128 83.997  1 69.331  ? 148 A 1 c
ATOM 2234 H HA   . TYR Axp A 140 ? 39.859 33.945 82.429  1 66.775  ? 148 A 1 c
ATOM 2235 H HB3  . TYR Axp A 140 ? 40.084 32.817 85.049  1 62.937  ? 148 A 1 c
ATOM 2236 H HB2  . TYR Axp A 140 ? 40.506 32.095 83.695  1 62.854  ? 148 A 1 c
ATOM 2237 H HD1  . TYR Axp A 140 ? 38.292 32.437 81.981  1 75.092  ? 148 A 1 c
ATOM 2238 H HD2  . TYR Axp A 140 ? 38.188 31.68  85.934  1 72.583  ? 148 A 1 c
ATOM 2239 H HE1  . TYR Axp A 140 ? 36.142 31.598 81.753  1 81.165  ? 148 A 1 c
ATOM 2240 H HE2  . TYR Axp A 140 ? 36.035 30.837 85.713  1 80.665  ? 148 A 1 c
ATOM 2241 H HH   . TYR Axp A 140 ? 34.239 30.827 82.729  0 67.4    ? 148 A 1 c
ATOM 2242 N N    . LEU Axp A 141 ? 38.884 35.218 85.235  1 64.042  ? 149 A 1 .
ATOM 2243 C CA   . LEU Axp A 141 ? 37.991 36.122 85.936  1 55.907  ? 149 A 1 .
ATOM 2244 C C    . LEU Axp A 141 ? 37.943 37.492 85.266  1 56.596  ? 149 A 1 .
ATOM 2245 O O    . LEU Axp A 141 ? 36.893 38.127 85.256  1 53.08   ? 149 A 1 .
ATOM 2246 C CB   . LEU Axp A 141 ? 38.495 36.233 87.372  1 54.649  ? 149 A 1 .
ATOM 2247 C CG   . LEU Axp A 141 ? 38.504 34.915 88.153  1 59.725  ? 149 A 1 .
ATOM 2248 C CD1  . LEU Axp A 141 ? 39.035 35.098 89.574  1 58.955  ? 149 A 1 .
ATOM 2249 C CD2  . LEU Axp A 141 ? 37.109 34.261 88.143  1 56.913  ? 149 A 1 .
ATOM 2250 H H    . LEU Axp A 141 ? 39.495 34.756 85.732  1 63.377  ? 149 A 1 c
ATOM 2251 H HA   . LEU Axp A 141 ? 37.081 35.732 85.932  1 57.308  ? 149 A 1 c
ATOM 2252 H HB3  . LEU Axp A 141 ? 37.923 36.876 87.851  1 56.057  ? 149 A 1 c
ATOM 2253 H HB2  . LEU Axp A 141 ? 39.411 36.592 87.353  1 56.082  ? 149 A 1 c
ATOM 2254 H HG   . LEU Axp A 141 ? 39.121 34.292 87.693  1 58.181  ? 149 A 1 c
ATOM 2255 H HD11 . LEU Axp A 141 ? 39.898 35.544 89.544  1 59.18   ? 149 A 1 c
ATOM 2256 H HD12 . LEU Axp A 141 ? 39.135 34.229 89.999  1 59.18   ? 149 A 1 c
ATOM 2257 H HD13 . LEU Axp A 141 ? 38.41  35.638 90.087  1 59.18   ? 149 A 1 c
ATOM 2258 H HD21 . LEU Axp A 141 ? 36.979 33.785 87.306  1 57.705  ? 149 A 1 c
ATOM 2259 H HD22 . LEU Axp A 141 ? 36.427 34.948 88.232  1 57.699  ? 149 A 1 c
ATOM 2260 H HD23 . LEU Axp A 141 ? 37.036 33.637 88.884  1 57.719  ? 149 A 1 c
ATOM 2261 N N    . GLU Axp A 142 ? 39.071 37.974 84.732  1 62.15   ? 150 A 1 .
ATOM 2262 C CA   . GLU Axp A 142 ? 39.131 39.336 84.21   1 71.06   ? 150 A 1 .
ATOM 2263 C C    . GLU Axp A 142 ? 38.323 39.442 82.924  1 71.019  ? 150 A 1 .
ATOM 2264 O O    . GLU Axp A 142 ? 37.713 40.472 82.689  1 71.439  ? 150 A 1 .
ATOM 2265 C CB   . GLU Axp A 142 ? 40.531 39.85  83.869  1 75.98   ? 150 A 1 .
ATOM 2266 C CG   . GLU Axp A 142 ? 40.555 41.327 83.474  1 79.573  ? 150 A 1 .
ATOM 2267 C CD   . GLU Axp A 142 ? 41.53  41.722 82.367  1 92.008  ? 150 A 1 .
ATOM 2268 O OE1  . GLU Axp A 142 ? 42.767 41.53  82.551  1 88.428  ? 150 A 1 .
ATOM 2269 O OE2  . GLU Axp A 142 ? 41.037 42.238 81.321  1 88.861  ? 150 A 1 .
ATOM 2270 H H    . GLU Axp A 142 ? 39.825 37.458 84.71   1 62.684  ? 150 A 1 c
ATOM 2271 H HA   . GLU Axp A 142 ? 38.732 39.943 84.884  1 69.893  ? 150 A 1 c
ATOM 2272 H HB3  . GLU Axp A 142 ? 40.894 39.316 83.132  1 75.646  ? 150 A 1 c
ATOM 2273 H HB2  . GLU Axp A 142 ? 41.113 39.719 84.647  1 75.626  ? 150 A 1 c
ATOM 2274 H HG3  . GLU Axp A 142 ? 40.775 41.856 84.269  1 81.396  ? 150 A 1 c
ATOM 2275 H HG2  . GLU Axp A 142 ? 39.657 41.599 83.198  1 81.267  ? 150 A 1 c
ATOM 2276 N N    . LYS Axp A 143 ? 38.349 38.388 82.099  1 81.989  ? 151 A 1 .
ATOM 2277 C CA   . LYS Axp A 143 ? 37.713 38.413 80.795  1 83.391  ? 151 A 1 .
ATOM 2278 C C    . LYS Axp A 143 ? 36.277 37.925 80.897  1 71.825  ? 151 A 1 .
ATOM 2279 O O    . LYS Axp A 143 ? 35.512 38.128 79.963  1 80.645  ? 151 A 1 .
ATOM 2280 C CB   . LYS Axp A 143 ? 38.538 37.602 79.787  1 99.212  ? 151 A 1 .
ATOM 2281 C CG   . LYS Axp A 143 ? 39.888 38.239 79.425  1 118.089 ? 151 A 1 .
ATOM 2282 C CD   . LYS Axp A 143 ? 39.798 39.6   78.725  1 133.894 ? 151 A 1 .
ATOM 2283 C CE   . LYS Axp A 143 ? 39.216 39.54  77.325  1 137.778 ? 151 A 1 .
ATOM 2284 N NZ   . LYS Axp A 143 ? 38.775 40.832 76.783  1 130.619 ? 151 A 1 .
ATOM 2285 H H    . LYS Axp A 143 ? 38.789 37.629 82.356  1 79.462  ? 151 A 1 c
ATOM 2286 H HA   . LYS Axp A 143 ? 37.691 39.351 80.483  1 83.789  ? 151 A 1 c
ATOM 2287 H HB3  . LYS Axp A 143 ? 38.014 37.489 78.966  1 99.396  ? 151 A 1 c
ATOM 2288 H HB2  . LYS Axp A 143 ? 38.705 36.71  80.16   1 99.121  ? 151 A 1 c
ATOM 2289 H HG3  . LYS Axp A 143 ? 40.376 37.617 78.842  1 116.776 ? 151 A 1 c
ATOM 2290 H HG2  . LYS Axp A 143 ? 40.411 38.342 80.249  1 116.776 ? 151 A 1 c
ATOM 2291 H HD3  . LYS Axp A 143 ? 40.7   39.984 78.675  1 130.837 ? 151 A 1 c
ATOM 2292 H HD2  . LYS Axp A 143 ? 39.252 40.205 79.271  1 130.255 ? 151 A 1 c
ATOM 2293 H HE3  . LYS Axp A 143 ? 38.455 38.933 77.321  1 134.66  ? 151 A 1 c
ATOM 2294 H HE2  . LYS Axp A 143 ? 39.888 39.169 76.726  1 135.066 ? 151 A 1 c
ATOM 2295 H HZ1  . LYS Axp A 143 ? 39.497 41.34  76.578  1 132.757 ? 151 A 1 c
ATOM 2296 H HZ2  . LYS Axp A 143 ? 38.269 41.267 77.396  1 132.759 ? 151 A 1 c
ATOM 2297 H HZ3  . LYS Axp A 143 ? 38.284 40.697 76.033  1 132.772 ? 151 A 1 c
ATOM 2298 N N    . TYR Axp A 144 ? 35.918 37.319 82.034  1 66.184  ? 152 A 1 .
ATOM 2299 C CA   . TYR Axp A 144 ? 34.594 36.745 82.236  1 60.261  ? 152 A 1 .
ATOM 2300 C C    . TYR Axp A 144 ? 33.556 37.847 82.114  1 59.099  ? 152 A 1 .
ATOM 2301 O O    . TYR Axp A 144 ? 33.702 38.889 82.751  1 67.816  ? 152 A 1 .
ATOM 2302 C CB   . TYR Axp A 144 ? 34.442 36.08  83.609  1 61.886  ? 152 A 1 .
ATOM 2303 C CG   . TYR Axp A 144 ? 33.099 35.397 83.799  1 65.856  ? 152 A 1 .
ATOM 2304 C CD1  . TYR Axp A 144 ? 32.879 34.11  83.324  1 80.029  ? 152 A 1 .
ATOM 2305 C CD2  . TYR Axp A 144 ? 32.037 36.057 84.393  1 67.439  ? 152 A 1 .
ATOM 2306 C CE1  . TYR Axp A 144 ? 31.651 33.487 83.462  1 79.448  ? 152 A 1 .
ATOM 2307 C CE2  . TYR Axp A 144 ? 30.806 35.44  84.545  1 67.14   ? 152 A 1 .
ATOM 2308 C CZ   . TYR Axp A 144 ? 30.614 34.156 84.078  1 67.401  ? 152 A 1 .
ATOM 2309 O OH   . TYR Axp A 144 ? 29.412 33.538 84.217  1 77.273  ? 152 A 1 .
ATOM 2310 H H    . TYR Axp A 144 ? 36.524 37.253 82.714  1 66.332  ? 152 A 1 c
ATOM 2311 H HA   . TYR Axp A 144 ? 34.431 36.065 81.53   1 61.4    ? 152 A 1 c
ATOM 2312 H HB3  . TYR Axp A 144 ? 34.555 36.765 84.305  1 62.376  ? 152 A 1 c
ATOM 2313 H HB2  . TYR Axp A 144 ? 35.158 35.414 83.716  1 62.39   ? 152 A 1 c
ATOM 2314 H HD1  . TYR Axp A 144 ? 33.585 33.648 82.9    1 76.112  ? 152 A 1 c
ATOM 2315 H HD2  . TYR Axp A 144 ? 32.159 36.934 84.72   1 67.117  ? 152 A 1 c
ATOM 2316 H HE1  . TYR Axp A 144 ? 31.526 32.609 83.145  1 76.394  ? 152 A 1 c
ATOM 2317 H HE2  . TYR Axp A 144 ? 30.102 35.895 84.969  1 67.365  ? 152 A 1 c
ATOM 2318 H HH   . TYR Axp A 144 ? 29.443 32.784 83.964  0 63.69   ? 152 A 1 c
ATOM 2319 N N    . ARG Axp A 145 ? 32.532 37.605 81.288  1 57.795  ? 153 A 1 .
ATOM 2320 C CA   . ARG Axp A 145 ? 31.452 38.559 81.119  1 57.77   ? 153 A 1 .
ATOM 2321 C C    . ARG Axp A 145 ? 30.196 37.952 81.713  1 63.859  ? 153 A 1 .
ATOM 2322 O O    . ARG Axp A 145 ? 29.658 37.005 81.147  1 79.545  ? 153 A 1 .
ATOM 2323 C CB   . ARG Axp A 145 ? 31.238 38.879 79.645  1 55.757  ? 153 A 1 .
ATOM 2324 C CG   . ARG Axp A 145 ? 32.43  39.533 78.97   1 60.127  ? 153 A 1 .
ATOM 2325 C CD   . ARG Axp A 145 ? 32.091 39.733 77.507  1 70.471  ? 153 A 1 .
ATOM 2326 N NE   . ARG Axp A 145 ? 30.945 40.631 77.308  1 71.906  ? 153 A 1 .
ATOM 2327 C CZ   . ARG Axp A 145 ? 30.469 40.979 76.124  1 72.705  ? 153 A 1 .
ATOM 2328 N NH1  . ARG Axp A 145 ? 30.954 40.39  75.058  1 83.729  ? 153 A 1 .
ATOM 2329 N NH2  . ARG Axp A 145 ? 29.522 41.893 76.006  1 76.606  ? 153 A 1 .
ATOM 2330 H H    . ARG Axp A 145 ? 32.506 36.823 80.816  1 58.141  ? 153 A 1 c
ATOM 2331 H HA   . ARG Axp A 145 ? 31.68  39.391 81.602  1 58.62   ? 153 A 1 c
ATOM 2332 H HB3  . ARG Axp A 145 ? 30.462 39.473 79.567  1 57.437  ? 153 A 1 c
ATOM 2333 H HB2  . ARG Axp A 145 ? 31.026 38.048 79.17   1 57.46   ? 153 A 1 c
ATOM 2334 H HG3  . ARG Axp A 145 ? 33.22  38.956 79.05   1 61.364  ? 153 A 1 c
ATOM 2335 H HG2  . ARG Axp A 145 ? 32.618 40.403 79.387  1 61.303  ? 153 A 1 c
ATOM 2336 H HD3  . ARG Axp A 145 ? 31.891 38.863 77.105  1 68.293  ? 153 A 1 c
ATOM 2337 H HD2  . ARG Axp A 145 ? 32.872 40.103 77.046  1 68.299  ? 153 A 1 c
ATOM 2338 H HE   . ARG Axp A 145 ? 30.559 40.973 78.01   1 71.493  ? 153 A 1 c
ATOM 2339 H HH11 . ARG Axp A 145 ? 30.739 39.551 74.884  1 80.166  ? 153 A 1 c
ATOM 2340 H HH12 . ARG Axp A 145 ? 31.494 40.836 74.518  1 80.166  ? 153 A 1 c
ATOM 2341 H HH21 . ARG Axp A 145 ? 29.495 42.572 76.571  1 75.352  ? 153 A 1 c
ATOM 2342 H HH22 . ARG Axp A 145 ? 28.921 41.822 75.362  1 75.376  ? 153 A 1 c
ATOM 2343 N N    . PRO Axp A 146 ? 29.71  38.448 82.87   1 62.531  ? 154 A 1 .
ATOM 2344 C CA   . PRO Axp A 146 ? 28.606 37.81  83.576  1 62.16   ? 154 A 1 .
ATOM 2345 C C    . PRO Axp A 146 ? 27.277 38.004 82.876  1 60.583  ? 154 A 1 .
ATOM 2346 O O    . PRO Axp A 146 ? 27.059 39.041 82.247  1 58.872  ? 154 A 1 .
ATOM 2347 C CB   . PRO Axp A 146 ? 28.554 38.534 84.902  1 67.928  ? 154 A 1 .
ATOM 2348 C CG   . PRO Axp A 146 ? 29.043 39.918 84.492  1 72.528  ? 154 A 1 .
ATOM 2349 C CD   . PRO Axp A 146 ? 30.154 39.68  83.522  1 64.296  ? 154 A 1 .
ATOM 2350 H HA   . PRO Axp A 146 ? 28.787 36.859 83.7    1 63.077  ? 154 A 1 c
ATOM 2351 H HB3  . PRO Axp A 146 ? 29.152 38.122 85.555  1 67.43   ? 154 A 1 c
ATOM 2352 H HB2  . PRO Axp A 146 ? 27.644 38.567 85.257  1 67.603  ? 154 A 1 c
ATOM 2353 H HG3  . PRO Axp A 146 ? 29.368 40.414 85.269  1 69.507  ? 154 A 1 c
ATOM 2354 H HG2  . PRO Axp A 146 ? 28.325 40.431 84.072  1 69.476  ? 154 A 1 c
ATOM 2355 H HD3  . PRO Axp A 146 ? 30.232 40.409 82.881  1 65.282  ? 154 A 1 c
ATOM 2356 H HD2  . PRO Axp A 146 ? 31.009 39.549 83.976  1 65.571  ? 154 A 1 c
ATOM 2357 N N    . LYS Axp A 147 ? 26.415 36.99  82.992  1 63.137  ? 155 A 1 .
ATOM 2358 C CA   . LYS Axp A 147 ? 25.073 37.059 82.44   1 65.025  ? 155 A 1 .
ATOM 2359 C C    . LYS Axp A 147 ? 24.3   38.165 83.153  1 68.314  ? 155 A 1 .
ATOM 2360 O O    . LYS Axp A 147 ? 23.534 38.871 82.51   1 62.554  ? 155 A 1 .
ATOM 2361 C CB   . LYS Axp A 147 ? 24.406 35.688 82.576  1 61.577  ? 155 A 1 .
ATOM 2362 C CG   . LYS Axp A 147 ? 24.921 34.61  81.637  1 66.956  ? 155 A 1 .
ATOM 2363 C CD   . LYS Axp A 147 ? 24.788 33.199 82.213  1 83.56   ? 155 A 1 .
ATOM 2364 C CE   . LYS Axp A 147 ? 24.512 32.128 81.202  1 82.71   ? 155 A 1 .
ATOM 2365 N NZ   . LYS Axp A 147 ? 23.239 32.341 80.496  1 92.853  ? 155 A 1 .
ATOM 2366 H H    . LYS Axp A 147 ? 26.674 36.227 83.424  1 62.96   ? 155 A 1 c
ATOM 2367 H HA   . LYS Axp A 147 ? 25.143 37.289 81.478  1 64.545  ? 155 A 1 c
ATOM 2368 H HB3  . LYS Axp A 147 ? 23.446 35.793 82.418  1 63.935  ? 155 A 1 c
ATOM 2369 H HB2  . LYS Axp A 147 ? 24.521 35.376 83.499  1 63.809  ? 155 A 1 c
ATOM 2370 H HG3  . LYS Axp A 147 ? 25.865 34.789 81.443  1 69.251  ? 155 A 1 c
ATOM 2371 H HG2  . LYS Axp A 147 ? 24.422 34.664 80.792  1 69.386  ? 155 A 1 c
ATOM 2372 H HD3  . LYS Axp A 147 ? 24.064 33.198 82.877  1 79.107  ? 155 A 1 c
ATOM 2373 H HD2  . LYS Axp A 147 ? 25.618 32.978 82.687  1 79.239  ? 155 A 1 c
ATOM 2374 H HE3  . LYS Axp A 147 ? 24.475 31.272 81.659  1 85.263  ? 155 A 1 c
ATOM 2375 H HE2  . LYS Axp A 147 ? 25.236 32.095 80.552  1 85.48   ? 155 A 1 c
ATOM 2376 H HZ1  . LYS Axp A 147 ? 23.383 32.829 79.746  1 89.418  ? 155 A 1 c
ATOM 2377 H HZ2  . LYS Axp A 147 ? 22.654 32.782 81.03   1 89.452  ? 155 A 1 c
ATOM 2378 H HZ3  . LYS Axp A 147 ? 22.883 31.541 80.264  1 89.54   ? 155 A 1 c
ATOM 2379 N N    . MET Axp A 148 ? 24.54  38.282 84.472  1 78.835  ? 156 A 1 .
ATOM 2380 C CA   . MET Axp A 148 ? 23.875 39.216 85.368  1 75.052  ? 156 A 1 .
ATOM 2381 C C    . MET Axp A 148 ? 22.382 38.912 85.397  1 78.206  ? 156 A 1 .
ATOM 2382 O O    . MET Axp A 148 ? 21.582 39.812 85.196  1 74.951  ? 156 A 1 .
ATOM 2383 C CB   . MET Axp A 148 ? 24.122 40.677 84.963  1 72.385  ? 156 A 1 .
ATOM 2384 C CG   . MET Axp A 148 ? 25.604 41.074 84.981  1 82.566  ? 156 A 1 .
ATOM 2385 S SD   . MET Axp A 148 ? 26.47  41.054 86.575  1 78.972  ? 156 A 1 .
ATOM 2386 C CE   . MET Axp A 148 ? 25.839 42.468 87.491  1 77.005  ? 156 A 1 .
ATOM 2387 H H    . MET Axp A 148 ? 25.163 37.723 84.84   1 75.051  ? 156 A 1 c
ATOM 2388 H HA   . MET Axp A 148 ? 24.234 39.069 86.28   1 75.87   ? 156 A 1 c
ATOM 2389 H HB3  . MET Axp A 148 ? 23.631 41.261 85.58   1 75.169  ? 156 A 1 c
ATOM 2390 H HB2  . MET Axp A 148 ? 23.762 40.824 84.063  1 75.075  ? 156 A 1 c
ATOM 2391 H HG3  . MET Axp A 148 ? 25.682 41.977 84.613  1 79.316  ? 156 A 1 c
ATOM 2392 H HG2  . MET Axp A 148 ? 26.086 40.477 84.375  1 79.25   ? 156 A 1 c
ATOM 2393 H HE3  . MET Axp A 148 ? 25.154 42.169 88.117  1 77.464  ? 156 A 1 c
ATOM 2394 H HE2  . MET Axp A 148 ? 25.453 43.112 86.868  1 77.464  ? 156 A 1 c
ATOM 2395 H HE1  . MET Axp A 148 ? 26.568 42.888 87.983  1 77.385  ? 156 A 1 c
ATOM 2396 N N    . ARG Axp A 149 ? 22.02  37.645 85.643  1 82.394  ? 157 A 1 .
ATOM 2397 C CA   . ARG Axp A 149 ? 20.621 37.233 85.639  1 86.187  ? 157 A 1 .
ATOM 2398 C C    . ARG Axp A 149 ? 20.234 36.624 86.993  1 86.247  ? 157 A 1 .
ATOM 2399 O O    . ARG Axp A 149 ? 19.347 35.764 87.088  1 100.61  ? 157 A 1 .
ATOM 2400 C CB   . ARG Axp A 149 ? 20.355 36.285 84.458  1 83.233  ? 157 A 1 .
ATOM 2401 C CG   . ARG Axp A 149 ? 20.872 36.751 83.103  1 90.95   ? 157 A 1 .
ATOM 2402 C CD   . ARG Axp A 149 ? 20.467 38.165 82.686  1 102.939 ? 157 A 1 .
ATOM 2403 N NE   . ARG Axp A 149 ? 19.014 38.368 82.709  1 114.778 ? 157 A 1 .
ATOM 2404 C CZ   . ARG Axp A 149 ? 18.358 39.529 82.837  1 109.41  ? 157 A 1 .
ATOM 2405 N NH1  . ARG Axp A 149 ? 18.999 40.69  82.938  1 102.566 ? 157 A 1 .
ATOM 2406 N NH2  . ARG Axp A 149 ? 17.038 39.505 82.893  1 99.505  ? 157 A 1 .
ATOM 2407 H H    . ARG Axp A 149 ? 22.662 37.019 85.822  1 82.13   ? 157 A 1 c
ATOM 2408 H HA   . ARG Axp A 149 ? 20.063 38.04  85.502  1 84.865  ? 157 A 1 c
ATOM 2409 H HB3  . ARG Axp A 149 ? 19.386 36.146 84.388  1 85.614  ? 157 A 1 c
ATOM 2410 H HB2  . ARG Axp A 149 ? 20.762 35.417 84.663  1 85.614  ? 157 A 1 c
ATOM 2411 H HG3  . ARG Axp A 149 ? 20.561 36.122 82.415  1 91.552  ? 157 A 1 c
ATOM 2412 H HG2  . ARG Axp A 149 ? 21.85  36.702 83.112  1 91.033  ? 157 A 1 c
ATOM 2413 H HD3  . ARG Axp A 149 ? 20.797 38.33  81.779  1 102.633 ? 157 A 1 c
ATOM 2414 H HD2  . ARG Axp A 149 ? 20.89  38.814 83.275  1 102.278 ? 157 A 1 c
ATOM 2415 H HE   . ARG Axp A 149 ? 18.518 37.656 82.631  1 110.35  ? 157 A 1 c
ATOM 2416 H HH11 . ARG Axp A 149 ? 19.608 40.91  82.335  1 104.473 ? 157 A 1 c
ATOM 2417 H HH12 . ARG Axp A 149 ? 18.814 41.237 83.607  1 104.01  ? 157 A 1 c
ATOM 2418 H HH21 . ARG Axp A 149 ? 16.585 38.972 82.352  1 101.79  ? 157 A 1 c
ATOM 2419 H HH22 . ARG Axp A 149 ? 16.615 40.014 83.477  1 102.17  ? 157 A 1 c
ATOM 2420 N N    . LEU Axp A 150 ? 20.886 37.085 88.06   1 68.929  ? 158 A 1 .
ATOM 2421 C CA   . LEU Axp A 150 ? 20.585 36.592 89.395  1 75.081  ? 158 A 1 .
ATOM 2422 C C    . LEU Axp A 150 ? 19.856 37.694 90.152  1 76.925  ? 158 A 1 .
ATOM 2423 O O    . LEU Axp A 150 ? 20.428 38.75  90.385  1 82.147  ? 158 A 1 .
ATOM 2424 C CB   . LEU Axp A 150 ? 21.885 36.22  90.104  1 77.273  ? 158 A 1 .
ATOM 2425 C CG   . LEU Axp A 150 ? 22.138 34.753 90.455  1 68.352  ? 158 A 1 .
ATOM 2426 C CD1  . LEU Axp A 150 ? 21.921 33.759 89.352  1 81.079  ? 158 A 1 .
ATOM 2427 C CD2  . LEU Axp A 150 ? 23.578 34.661 90.89   1 60.407  ? 158 A 1 .
ATOM 2428 H H    . LEU Axp A 150 ? 21.525 37.731 87.961  1 74.288  ? 158 A 1 c
ATOM 2429 H HA   . LEU Axp A 150 ? 20.001 35.795 89.327  1 74.814  ? 158 A 1 c
ATOM 2430 H HB3  . LEU Axp A 150 ? 21.936 36.742 90.938  1 74.574  ? 158 A 1 c
ATOM 2431 H HB2  . LEU Axp A 150 ? 22.634 36.531 89.544  1 74.425  ? 158 A 1 c
ATOM 2432 H HG   . LEU Axp A 150 ? 21.559 34.507 91.223  1 70.535  ? 158 A 1 c
ATOM 2433 H HD11 . LEU Axp A 150 ? 20.968 33.643 89.202  1 76.974  ? 158 A 1 c
ATOM 2434 H HD12 . LEU Axp A 150 ? 22.315 32.906 89.6    1 76.818  ? 158 A 1 c
ATOM 2435 H HD13 . LEU Axp A 150 ? 22.339 34.083 88.536  1 76.986  ? 158 A 1 c
ATOM 2436 H HD21 . LEU Axp A 150 ? 23.761 35.343 91.558  1 62.883  ? 158 A 1 c
ATOM 2437 H HD22 . LEU Axp A 150 ? 24.159 34.796 90.123  1 62.894  ? 158 A 1 c
ATOM 2438 H HD23 . LEU Axp A 150 ? 23.747 33.783 91.272  1 62.834  ? 158 A 1 c
ATOM 2439 N N    . ARG Axp A 151 ? 18.596 37.463 90.536  1 77.107  ? 159 A 1 .
ATOM 2440 C CA   . ARG Axp A 151 ? 17.837 38.484 91.239  1 60.986  ? 159 A 1 .
ATOM 2441 C C    . ARG Axp A 151 ? 18.082 38.242 92.727  1 55.046  ? 159 A 1 .
ATOM 2442 O O    . ARG Axp A 151 ? 18.343 37.117 93.12   1 46.362  ? 159 A 1 .
ATOM 2443 C CB   . ARG Axp A 151 ? 16.348 38.482 90.84   1 64.298  ? 159 A 1 .
ATOM 2444 C CG   . ARG Axp A 151 ? 15.865 38.319 89.392  1 65.563  ? 159 A 1 .
ATOM 2445 C CD   . ARG Axp A 151 ? 14.349 37.952 89.357  1 73.797  ? 159 A 1 .
ATOM 2446 N NE   . ARG Axp A 151 ? 13.915 36.918 88.403  1 87.56   ? 159 A 1 .
ATOM 2447 C CZ   . ARG Axp A 151 ? 13.827 37.11  87.077  1 119.784 ? 159 A 1 .
ATOM 2448 N NH1  . ARG Axp A 151 ? 14.066 38.324 86.615  1 137.53  ? 159 A 1 .
ATOM 2449 N NH2  . ARG Axp A 151 ? 13.494 36.134 86.223  1 102.958 ? 159 A 1 .
ATOM 2450 H H    . ARG Axp A 151 ? 18.203 36.658 90.357  1 73.12   ? 159 A 1 c
ATOM 2451 H HA   . ARG Axp A 151 ? 18.213 39.365 91      1 63.44   ? 159 A 1 c
ATOM 2452 H HB3  . ARG Axp A 151 ? 15.971 39.324 91.175  1 63.821  ? 159 A 1 c
ATOM 2453 H HB2  . ARG Axp A 151 ? 15.928 37.767 91.363  1 63.885  ? 159 A 1 c
ATOM 2454 H HG3  . ARG Axp A 151 ? 16.381 37.609 88.952  1 67.062  ? 159 A 1 c
ATOM 2455 H HG2  . ARG Axp A 151 ? 16.007 39.158 88.902  1 67.024  ? 159 A 1 c
ATOM 2456 H HD3  . ARG Axp A 151 ? 13.854 38.775 89.171  1 75.381  ? 159 A 1 c
ATOM 2457 H HD2  . ARG Axp A 151 ? 14.09  37.667 90.257  1 74.819  ? 159 A 1 c
ATOM 2458 H HE   . ARG Axp A 151 ? 13.704 36.133 88.715  1 90.737  ? 159 A 1 c
ATOM 2459 H HH11 . ARG Axp A 151 ? 13.551 39     86.855  1 130.715 ? 159 A 1 c
ATOM 2460 H HH12 . ARG Axp A 151 ? 14.745 38.456 86.064  1 131.545 ? 159 A 1 c
ATOM 2461 H HH21 . ARG Axp A 151 ? 13.628 35.289 86.448  1 107.918 ? 159 A 1 c
ATOM 2462 H HH22 . ARG Axp A 151 ? 13.141 36.338 85.439  1 108.066 ? 159 A 1 c
ATOM 2463 N N    . PHE Axp A 152 ? 18.021 39.295 93.549  1 66.233  ? 160 A 1 .
ATOM 2464 C CA   . PHE Axp A 152 ? 18.25  39.169 94.984  1 63.756  ? 160 A 1 .
ATOM 2465 C C    . PHE Axp A 152 ? 17.161 39.891 95.785  1 66.437  ? 160 A 1 .
ATOM 2466 O O    . PHE Axp A 152 ? 16.637 39.216 96.697  1 68.668  ? 160 A 1 .
ATOM 2467 C CB   . PHE Axp A 152 ? 19.641 39.716 95.313  1 63.494  ? 160 A 1 .
ATOM 2468 C CG   . PHE Axp A 152 ? 20.741 38.756 94.897  1 58.423  ? 160 A 1 .
ATOM 2469 C CD1  . PHE Axp A 152 ? 20.919 37.567 95.589  1 53.093  ? 160 A 1 .
ATOM 2470 C CD2  . PHE Axp A 152 ? 21.558 39.027 93.808  1 60.544  ? 160 A 1 .
ATOM 2471 C CE1  . PHE Axp A 152 ? 21.901 36.673 95.226  1 53.633  ? 160 A 1 .
ATOM 2472 C CE2  . PHE Axp A 152 ? 22.552 38.14  93.444  1 66.492  ? 160 A 1 .
ATOM 2473 C CZ   . PHE Axp A 152 ? 22.715 36.956 94.149  1 69.63   ? 160 A 1 .
ATOM 2474 O OXT  . PHE Axp A 152 ? 16.88  41.087 95.502  1 70.434  ? 160 A 1 .
ATOM 2475 H H    . PHE Axp A 152 ? 17.837 40.121 93.204  1 62.818  ? 160 A 1 c
ATOM 2476 H HA   . PHE Axp A 152 ? 18.226 38.205 95.224  1 64.404  ? 160 A 1 c
ATOM 2477 H HB3  . PHE Axp A 152 ? 19.7   39.875 96.281  1 62.376  ? 160 A 1 c
ATOM 2478 H HB2  . PHE Axp A 152 ? 19.765 40.573 94.847  1 62.346  ? 160 A 1 c
ATOM 2479 H HD1  . PHE Axp A 152 ? 20.361 37.372 96.325  1 54.657  ? 160 A 1 c
ATOM 2480 H HD2  . PHE Axp A 152 ? 21.446 39.832 93.328  1 61.37   ? 160 A 1 c
ATOM 2481 H HE1  . PHE Axp A 152 ? 22.015 35.871 95.71   1 56.891  ? 160 A 1 c
ATOM 2482 H HE2  . PHE Axp A 152 ? 23.105 38.332 92.706  1 65.456  ? 160 A 1 c
ATOM 2483 H HZ   . PHE Axp A 152 ? 23.393 36.348 93.898  1 64.623  ? 160 A 1 c
ATOM 2484 N N    . PRO Bxp B 1   ? 12.416 64.514 70.482  1 110.259 ? 9   B 1 .
ATOM 2485 C CA   . PRO Bxp B 1   ? 13.646 64.675 71.356  1 104.907 ? 9   B 1 .
ATOM 2486 C C    . PRO Bxp B 1   ? 13.392 64.154 72.775  1 89.374  ? 9   B 1 .
ATOM 2487 O O    . PRO Bxp B 1   ? 12.913 64.891 73.637  1 78.567  ? 9   B 1 .
ATOM 2488 C CB   . PRO Bxp B 1   ? 13.991 66.168 71.297  1 99.344  ? 9   B 1 .
ATOM 2489 C CG   . PRO Bxp B 1   ? 12.681 66.759 70.829  1 113.39  ? 9   B 1 .
ATOM 2490 C CD   . PRO Bxp B 1   ? 12.16  65.814 69.801  1 104.986 ? 9   B 1 .
ATOM 2491 H H    . PRO Bxp B 1   ? 11.697 64.28  70.988  1 107.62  ? 9   B 1 c
ATOM 2492 H H2   . PRO Bxp B 1   ? 12.562 63.861 69.865  1 107.714 ? 9   B 1 c
ATOM 2493 H HA   . PRO Bxp B 1   ? 14.385 64.168 70.959  1 101.221 ? 9   B 1 c
ATOM 2494 H HB3  . PRO Bxp B 1   ? 14.707 66.341 70.655  1 103.573 ? 9   B 1 c
ATOM 2495 H HB2  . PRO Bxp B 1   ? 14.244 66.512 72.175  1 103.37  ? 9   B 1 c
ATOM 2496 H HG3  . PRO Bxp B 1   ? 12.819 67.645 70.441  1 108.12  ? 9   B 1 c
ATOM 2497 H HG2  . PRO Bxp B 1   ? 12.05  66.836 71.573  1 108.12  ? 9   B 1 c
ATOM 2498 H HD3  . PRO Bxp B 1   ? 11.207 65.945 69.634  1 108.042 ? 9   B 1 c
ATOM 2499 H HD2  . PRO Bxp B 1   ? 12.657 65.878 68.962  1 108.042 ? 9   B 1 c
ATOM 2500 N N    . VAL Bxp B 2   ? 13.711 62.864 72.993  1 73.955  ? 10  B 1 .
ATOM 2501 C CA   . VAL Bxp B 2   ? 13.673 62.229 74.304  1 63.52   ? 10  B 1 .
ATOM 2502 C C    . VAL Bxp B 2   ? 15.055 62.352 74.946  1 56.773  ? 10  B 1 .
ATOM 2503 O O    . VAL Bxp B 2   ? 16.081 61.983 74.368  1 60.99   ? 10  B 1 .
ATOM 2504 C CB   . VAL Bxp B 2   ? 13.259 60.742 74.225  1 64.841  ? 10  B 1 .
ATOM 2505 C CG1  . VAL Bxp B 2   ? 11.997 60.507 73.409  1 71.029  ? 10  B 1 .
ATOM 2506 C CG2  . VAL Bxp B 2   ? 14.331 59.861 73.632  1 67.966  ? 10  B 1 .
ATOM 2507 H H    . VAL Bxp B 2   ? 13.963 62.356 72.277  1 75.001  ? 10  B 1 c
ATOM 2508 H HA   . VAL Bxp B 2   ? 13.024 62.703 74.859  1 64.294  ? 10  B 1 c
ATOM 2509 H HB   . VAL Bxp B 2   ? 13.088 60.437 75.146  1 66.198  ? 10  B 1 c
ATOM 2510 H HG11 . VAL Bxp B 2   ? 12.213 60.523 72.461  1 69.15   ? 10  B 1 c
ATOM 2511 H HG12 . VAL Bxp B 2   ? 11.349 61.205 73.604  1 69.155  ? 10  B 1 c
ATOM 2512 H HG13 . VAL Bxp B 2   ? 11.62  59.642 73.64   1 69.196  ? 10  B 1 c
ATOM 2513 H HG21 . VAL Bxp B 2   ? 13.934 59.033 73.312  1 66.909  ? 10  B 1 c
ATOM 2514 H HG22 . VAL Bxp B 2   ? 15.001 59.657 74.306  1 66.82   ? 10  B 1 c
ATOM 2515 H HG23 . VAL Bxp B 2   ? 14.746 60.325 72.891  1 66.513  ? 10  B 1 c
ATOM 2516 N N    . GLU Bxp B 3   ? 15.082 62.855 76.171  1 48.697  ? 11  B 1 .
ATOM 2517 C CA   . GLU Bxp B 3   ? 16.32  62.967 76.922  1 43.931  ? 11  B 1 .
ATOM 2518 C C    . GLU Bxp B 3   ? 16.252 61.927 78.034  1 42.878  ? 11  B 1 .
ATOM 2519 O O    . GLU Bxp B 3   ? 15.214 61.786 78.67   1 46.55   ? 11  B 1 .
ATOM 2520 C CB   . GLU Bxp B 3   ? 16.4   64.426 77.376  1 43.594  ? 11  B 1 .
ATOM 2521 C CG   . GLU Bxp B 3   ? 17.544 64.746 78.321  1 45.473  ? 11  B 1 .
ATOM 2522 C CD   . GLU Bxp B 3   ? 17.736 66.227 78.574  1 50.865  ? 11  B 1 .
ATOM 2523 O OE1  . GLU Bxp B 3   ? 16.747 66.933 78.804  1 62.914  ? 11  B 1 .
ATOM 2524 O OE2  . GLU Bxp B 3   ? 18.885 66.687 78.605  1 54.033  ? 11  B 1 .
ATOM 2525 H H    . GLU Bxp B 3   ? 14.305 63.137 76.56   1 49.472  ? 11  B 1 c
ATOM 2526 H HA   . GLU Bxp B 3   ? 17.081 62.761 76.324  1 44.701  ? 11  B 1 c
ATOM 2527 H HB3  . GLU Bxp B 3   ? 15.559 64.662 77.82   1 44.156  ? 11  B 1 c
ATOM 2528 H HB2  . GLU Bxp B 3   ? 16.486 64.996 76.583  1 44.108  ? 11  B 1 c
ATOM 2529 H HG3  . GLU Bxp B 3   ? 18.376 64.383 77.949  1 46.255  ? 11  B 1 c
ATOM 2530 H HG2  . GLU Bxp B 3   ? 17.386 64.303 79.178  1 46.207  ? 11  B 1 c
ATOM 2531 N N    . VAL Bxp B 4   ? 17.339 61.178 78.253  1 40.923  ? 12  B 1 .
ATOM 2532 C CA   . VAL Bxp B 4   ? 17.376 60.203 79.336  1 36.645  ? 12  B 1 .
ATOM 2533 C C    . VAL Bxp B 4   ? 18.704 60.318 80.075  1 37.537  ? 12  B 1 .
ATOM 2534 O O    . VAL Bxp B 4   ? 19.737 60.412 79.411  1 36.379  ? 12  B 1 .
ATOM 2535 C CB   . VAL Bxp B 4   ? 17.131 58.791 78.809  1 31.228  ? 12  B 1 .
ATOM 2536 C CG1  . VAL Bxp B 4   ? 16.981 58.803 77.316  1 32.871  ? 12  B 1 .
ATOM 2537 C CG2  . VAL Bxp B 4   ? 18.224 57.827 79.232  1 32.361  ? 12  B 1 .
ATOM 2538 H H    . VAL Bxp B 4   ? 18.079 61.289 77.728  1 40.287  ? 12  B 1 c
ATOM 2539 H HA   . VAL Bxp B 4   ? 16.661 60.418 79.964  1 36.584  ? 12  B 1 c
ATOM 2540 H HB   . VAL Bxp B 4   ? 16.281 58.478 79.198  1 32.701  ? 12  B 1 c
ATOM 2541 H HG11 . VAL Bxp B 4   ? 17.774 59.192 76.909  1 32.496  ? 12  B 1 c
ATOM 2542 H HG12 . VAL Bxp B 4   ? 16.199 59.324 77.069  1 32.49   ? 12  B 1 c
ATOM 2543 H HG13 . VAL Bxp B 4   ? 16.873 57.892 76.996  1 32.417  ? 12  B 1 c
ATOM 2544 H HG21 . VAL Bxp B 4   ? 17.956 56.92  79.007  1 32.042  ? 12  B 1 c
ATOM 2545 H HG22 . VAL Bxp B 4   ? 18.365 57.889 80.191  1 32.067  ? 12  B 1 c
ATOM 2546 H HG23 . VAL Bxp B 4   ? 19.049 58.041 78.766  1 32.082  ? 12  B 1 c
ATOM 2547 N N    . THR Bxp B 5   ? 18.668 60.358 81.431  1 34.987  ? 13  B 1 .
ATOM 2548 C CA   . THR Bxp B 5   ? 19.913 60.501 82.171  1 36.175  ? 13  B 1 .
ATOM 2549 C C    . THR Bxp B 5   ? 19.997 59.54  83.35   1 35.293  ? 13  B 1 .
ATOM 2550 O O    . THR Bxp B 5   ? 19.016 59.231 83.984  1 36.128  ? 13  B 1 .
ATOM 2551 C CB   . THR Bxp B 5   ? 20.174 61.96  82.566  1 36.827  ? 13  B 1 .
ATOM 2552 O OG1  . THR Bxp B 5   ? 19.843 62.415 83.868  1 31.012  ? 13  B 1 .
ATOM 2553 C CG2  . THR Bxp B 5   ? 19.479 62.92  81.63   1 39.865  ? 13  B 1 .
ATOM 2554 H H    . THR Bxp B 5   ? 17.876 60.294 81.883  1 35.858  ? 13  B 1 c
ATOM 2555 H HA   . THR Bxp B 5   ? 20.634 60.248 81.554  1 35.945  ? 13  B 1 c
ATOM 2556 H HB   . THR Bxp B 5   ? 21.14  62.114 82.438  1 36.096  ? 13  B 1 c
ATOM 2557 H HG1  . THR Bxp B 5   ? 18.94  62.056 83.958  0 30.71   ? 13  B 1 c
ATOM 2558 H HG21 . THR Bxp B 5   ? 19.605 63.83  81.943  1 38.871  ? 13  B 1 c
ATOM 2559 H HG22 . THR Bxp B 5   ? 18.538 62.711 81.596  1 38.885  ? 13  B 1 c
ATOM 2560 H HG23 . THR Bxp B 5   ? 19.855 62.829 80.742  1 38.89   ? 13  B 1 c
ATOM 2561 N N    . TYR Bxp B 6   ? 21.228 59.147 83.666  1 39.542  ? 14  B 1 .
ATOM 2562 C CA   . TYR Bxp B 6   ? 21.534 58.145 84.665  1 39.561  ? 14  B 1 .
ATOM 2563 C C    . TYR Bxp B 6   ? 22.964 58.361 85.147  1 42.454  ? 14  B 1 .
ATOM 2564 O O    . TYR Bxp B 6   ? 23.866 58.566 84.34   1 48.469  ? 14  B 1 .
ATOM 2565 C CB   . TYR Bxp B 6   ? 21.43  56.779 84.004  1 35.428  ? 14  B 1 .
ATOM 2566 C CG   . TYR Bxp B 6   ? 21.493 55.673 85.021  1 34.895  ? 14  B 1 .
ATOM 2567 C CD1  . TYR Bxp B 6   ? 20.643 55.679 86.103  1 35.29   ? 14  B 1 .
ATOM 2568 C CD2  . TYR Bxp B 6   ? 22.367 54.611 84.881  1 41.844  ? 14  B 1 .
ATOM 2569 C CE1  . TYR Bxp B 6   ? 20.644 54.648 87.021  1 39.829  ? 14  B 1 .
ATOM 2570 C CE2  . TYR Bxp B 6   ? 22.385 53.569 85.797  1 45.62   ? 14  B 1 .
ATOM 2571 C CZ   . TYR Bxp B 6   ? 21.526 53.596 86.876  1 43.442  ? 14  B 1 .
ATOM 2572 O OH   . TYR Bxp B 6   ? 21.524 52.607 87.806  1 52.221  ? 14  B 1 .
ATOM 2573 H H    . TYR Bxp B 6   ? 21.928 59.536 83.225  1 38.479  ? 14  B 1 c
ATOM 2574 H HA   . TYR Bxp B 6   ? 20.898 58.216 85.424  1 39.201  ? 14  B 1 c
ATOM 2575 H HB3  . TYR Bxp B 6   ? 22.169 56.677 83.364  1 36.29   ? 14  B 1 c
ATOM 2576 H HB2  . TYR Bxp B 6   ? 20.579 56.724 83.515  1 36.214  ? 14  B 1 c
ATOM 2577 H HD1  . TYR Bxp B 6   ? 20.026 56.386 86.206  1 36.397  ? 14  B 1 c
ATOM 2578 H HD2  . TYR Bxp B 6   ? 22.949 54.584 84.138  1 40.859  ? 14  B 1 c
ATOM 2579 H HE1  . TYR Bxp B 6   ? 20.061 54.673 87.76   1 39.577  ? 14  B 1 c
ATOM 2580 H HE2  . TYR Bxp B 6   ? 22.991 52.857 85.693  1 44.074  ? 14  B 1 c
ATOM 2581 H HH   . TYR Bxp B 6   ? 21.077 52.493 88.472  0 21.36   ? 14  B 1 c
ATOM 2582 N N    . LYS Bxp B 7   ? 23.174 58.274 86.459  1 41.309  ? 15  B 1 .
ATOM 2583 C CA   . LYS Bxp B 7   ? 24.459 58.584 87.064  1 37.718  ? 15  B 1 .
ATOM 2584 C C    . LYS Bxp B 7   ? 25.011 59.853 86.428  1 35.423  ? 15  B 1 .
ATOM 2585 O O    . LYS Bxp B 7   ? 24.408 60.907 86.577  1 39.619  ? 15  B 1 .
ATOM 2586 C CB   . LYS Bxp B 7   ? 25.396 57.395 86.917  1 41.234  ? 15  B 1 .
ATOM 2587 C CG   . LYS Bxp B 7   ? 24.765 56.049 87.219  1 45.75   ? 15  B 1 .
ATOM 2588 C CD   . LYS Bxp B 7   ? 24.847 55.688 88.682  1 54.782  ? 15  B 1 .
ATOM 2589 C CE   . LYS Bxp B 7   ? 24.524 54.264 88.946  1 57.824  ? 15  B 1 .
ATOM 2590 N NZ   . LYS Bxp B 7   ? 25.531 53.46  88.26   1 57.995  ? 15  B 1 .
ATOM 2591 H H    . LYS Bxp B 7   ? 22.488 58.01  87.003  1 40.753  ? 15  B 1 c
ATOM 2592 H HA   . LYS Bxp B 7   ? 24.309 58.752 88.026  1 38.579  ? 15  B 1 c
ATOM 2593 H HB3  . LYS Bxp B 7   ? 26.165 57.523 87.512  1 41.489  ? 15  B 1 c
ATOM 2594 H HB2  . LYS Bxp B 7   ? 25.732 57.367 85.997  1 41.248  ? 15  B 1 c
ATOM 2595 H HG3  . LYS Bxp B 7   ? 25.224 55.363 86.688  1 46.729  ? 15  B 1 c
ATOM 2596 H HG2  . LYS Bxp B 7   ? 23.824 56.066 86.943  1 46.472  ? 15  B 1 c
ATOM 2597 H HD3  . LYS Bxp B 7   ? 24.222 56.255 89.184  1 53.224  ? 15  B 1 c
ATOM 2598 H HD2  . LYS Bxp B 7   ? 25.753 55.878 89.011  1 53.177  ? 15  B 1 c
ATOM 2599 H HE3  . LYS Bxp B 7   ? 23.639 54.045 88.606  1 57.052  ? 15  B 1 c
ATOM 2600 H HE2  . LYS Bxp B 7   ? 24.553 54.08  89.902  1 57.134  ? 15  B 1 c
ATOM 2601 H HZ1  . LYS Bxp B 7   ? 26.316 53.907 88.197  1 57.656  ? 15  B 1 c
ATOM 2602 H HZ2  . LYS Bxp B 7   ? 25.241 53.244 87.43   1 57.726  ? 15  B 1 c
ATOM 2603 H HZ3  . LYS Bxp B 7   ? 25.67  52.696 88.726  1 57.846  ? 15  B 1 c
ATOM 2604 N N    . ASN Bxp B 8   ? 26.108 59.738 85.678  1 33.018  ? 16  B 1 .
ATOM 2605 C CA   . ASN Bxp B 8   ? 26.815 60.895 85.161  1 33.942  ? 16  B 1 .
ATOM 2606 C C    . ASN Bxp B 8   ? 26.642 61.04  83.641  1 33.833  ? 16  B 1 .
ATOM 2607 O O    . ASN Bxp B 8   ? 27.256 61.913 83.015  1 29.22   ? 16  B 1 .
ATOM 2608 C CB   . ASN Bxp B 8   ? 28.275 60.76  85.548  1 36.408  ? 16  B 1 .
ATOM 2609 C CG   . ASN Bxp B 8   ? 29.104 59.99  84.547  1 37.388  ? 16  B 1 .
ATOM 2610 O OD1  . ASN Bxp B 8   ? 28.678 58.974 83.971  1 39.203  ? 16  B 1 .
ATOM 2611 N ND2  . ASN Bxp B 8   ? 30.312 60.488 84.342  1 41.067  ? 16  B 1 .
ATOM 2612 H H    . ASN Bxp B 8   ? 26.434 58.909 85.477  1 33.943  ? 16  B 1 c
ATOM 2613 H HA   . ASN Bxp B 8   ? 26.464 61.703 85.599  1 34.223  ? 16  B 1 c
ATOM 2614 H HB3  . ASN Bxp B 8   ? 28.332 60.309 86.414  1 36.04   ? 16  B 1 c
ATOM 2615 H HB2  . ASN Bxp B 8   ? 28.657 61.654 85.653  1 36.099  ? 16  B 1 c
ATOM 2616 H HD21 . ASN Bxp B 8   ? 30.666 60.469 83.53   1 39.951  ? 16  B 1 c
ATOM 2617 H HD22 . ASN Bxp B 8   ? 30.769 60.837 85.018  1 39.855  ? 16  B 1 c
ATOM 2618 N N    . MET Bxp B 9   ? 25.788 60.174 83.078  1 34.803  ? 17  B 1 .
ATOM 2619 C CA   . MET Bxp B 9   ? 25.495 60.115 81.665  1 35.679  ? 17  B 1 .
ATOM 2620 C C    . MET Bxp B 9   ? 24.199 60.876 81.407  1 39.185  ? 17  B 1 .
ATOM 2621 O O    . MET Bxp B 9   ? 23.354 61.005 82.275  1 43.616  ? 17  B 1 .
ATOM 2622 C CB   . MET Bxp B 9   ? 25.306 58.654 81.248  1 35.948  ? 17  B 1 .
ATOM 2623 C CG   . MET Bxp B 9   ? 26.447 57.727 81.635  1 39.337  ? 17  B 1 .
ATOM 2624 S SD   . MET Bxp B 9   ? 26.247 56.01  81.1    1 43.573  ? 17  B 1 .
ATOM 2625 C CE   . MET Bxp B 9   ? 25.23  55.351 82.429  1 45.516  ? 17  B 1 .
ATOM 2626 H H    . MET Bxp B 9   ? 25.353 59.583 83.622  1 34.751  ? 17  B 1 c
ATOM 2627 H HA   . MET Bxp B 9   ? 26.238 60.526 81.155  1 36.146  ? 17  B 1 c
ATOM 2628 H HB3  . MET Bxp B 9   ? 25.192 58.623 80.275  1 36.764  ? 17  B 1 c
ATOM 2629 H HB2  . MET Bxp B 9   ? 24.478 58.32  81.654  1 36.673  ? 17  B 1 c
ATOM 2630 H HG3  . MET Bxp B 9   ? 26.545 57.734 82.608  1 39.225  ? 17  B 1 c
ATOM 2631 H HG2  . MET Bxp B 9   ? 27.278 58.073 81.253  1 39.246  ? 17  B 1 c
ATOM 2632 H HE3  . MET Bxp B 9   ? 24.333 55.727 82.368  1 45.02   ? 17  B 1 c
ATOM 2633 H HE2  . MET Bxp B 9   ? 25.625 55.589 83.288  1 45.02   ? 17  B 1 c
ATOM 2634 H HE1  . MET Bxp B 9   ? 25.183 54.38  82.351  1 45.01   ? 17  B 1 c
ATOM 2635 N N    . ARG Bxp B 10  ? 24.044 61.383 80.191  1 44.644  ? 18  B 1 .
ATOM 2636 C CA   . ARG Bxp B 10  ? 22.848 62.083 79.764  1 40.808  ? 18  B 1 .
ATOM 2637 C C    . ARG Bxp B 10  ? 22.852 62.1   78.24   1 45.561  ? 18  B 1 .
ATOM 2638 O O    . ARG Bxp B 10  ? 23.73  62.698 77.604  1 42.54   ? 18  B 1 .
ATOM 2639 C CB   . ARG Bxp B 10  ? 22.808 63.503 80.329  1 37.119  ? 18  B 1 .
ATOM 2640 C CG   . ARG Bxp B 10  ? 21.697 64.315 79.689  1 37.579  ? 18  B 1 .
ATOM 2641 C CD   . ARG Bxp B 10  ? 21.247 65.429 80.602  1 38.813  ? 18  B 1 .
ATOM 2642 N NE   . ARG Bxp B 10  ? 22.253 66.481 80.515  1 44.14   ? 18  B 1 .
ATOM 2643 C CZ   . ARG Bxp B 10  ? 22.424 67.212 79.433  1 49.699  ? 18  B 1 .
ATOM 2644 N NH1  . ARG Bxp B 10  ? 21.582 67.103 78.424  1 52.412  ? 18  B 1 .
ATOM 2645 N NH2  . ARG Bxp B 10  ? 23.415 68.075 79.367  1 51.825  ? 18  B 1 .
ATOM 2646 H H    . ARG Bxp B 10  ? 24.723 61.281 79.589  1 42.345  ? 18  B 1 c
ATOM 2647 H HA   . ARG Bxp B 10  ? 22.057 61.58  80.084  1 41.712  ? 18  B 1 c
ATOM 2648 H HB3  . ARG Bxp B 10  ? 23.666 63.944 80.158  1 38.032  ? 18  B 1 c
ATOM 2649 H HB2  . ARG Bxp B 10  ? 22.669 63.465 81.299  1 38.033  ? 18  B 1 c
ATOM 2650 H HG3  . ARG Bxp B 10  ? 20.936 63.734 79.484  1 37.876  ? 18  B 1 c
ATOM 2651 H HG2  . ARG Bxp B 10  ? 22.022 64.695 78.845  1 38.049  ? 18  B 1 c
ATOM 2652 H HD3  . ARG Bxp B 10  ? 21.188 65.114 81.525  1 39.737  ? 18  B 1 c
ATOM 2653 H HD2  . ARG Bxp B 10  ? 20.374 65.776 80.335  1 39.935  ? 18  B 1 c
ATOM 2654 H HE   . ARG Bxp B 10  ? 22.761 66.632 81.207  1 44.121  ? 18  B 1 c
ATOM 2655 H HH11 . ARG Bxp B 10  ? 20.903 66.543 78.443  1 51.003  ? 18  B 1 c
ATOM 2656 H HH12 . ARG Bxp B 10  ? 21.692 67.623 77.717  1 51.358  ? 18  B 1 c
ATOM 2657 H HH21 . ARG Bxp B 10  ? 24.21  67.856 79.685  1 51.162  ? 18  B 1 c
ATOM 2658 H HH22 . ARG Bxp B 10  ? 23.282 68.871 79.005  1 51.163  ? 18  B 1 c
ATOM 2659 N N    . PHE Bxp B 11  ? 21.884 61.387 77.665  1 49.862  ? 19  B 1 .
ATOM 2660 C CA   . PHE Bxp B 11  ? 21.807 61.236 76.226  1 47.972  ? 19  B 1 .
ATOM 2661 C C    . PHE Bxp B 11  ? 20.577 61.949 75.677  1 48.498  ? 19  B 1 .
ATOM 2662 O O    . PHE Bxp B 11  ? 19.605 62.139 76.399  1 47.49   ? 19  B 1 .
ATOM 2663 C CB   . PHE Bxp B 11  ? 21.71  59.753 75.898  1 45.907  ? 19  B 1 .
ATOM 2664 C CG   . PHE Bxp B 11  ? 22.748 58.884 76.573  1 45.446  ? 19  B 1 .
ATOM 2665 C CD1  . PHE Bxp B 11  ? 22.485 58.332 77.802  1 49.325  ? 19  B 1 .
ATOM 2666 C CD2  . PHE Bxp B 11  ? 23.956 58.585 75.965  1 51.562  ? 19  B 1 .
ATOM 2667 C CE1  . PHE Bxp B 11  ? 23.403 57.49  78.412  1 55.439  ? 19  B 1 .
ATOM 2668 C CE2  . PHE Bxp B 11  ? 24.877 57.756 76.591  1 56.069  ? 19  B 1 .
ATOM 2669 C CZ   . PHE Bxp B 11  ? 24.604 57.211 77.816  1 51.235  ? 19  B 1 .
ATOM 2670 H H    . PHE Bxp B 11  ? 21.249 60.983 78.185  1 48.254  ? 19  B 1 c
ATOM 2671 H HA   . PHE Bxp B 11  ? 22.623 61.612 75.811  1 47.94   ? 19  B 1 c
ATOM 2672 H HB3  . PHE Bxp B 11  ? 21.793 59.645 74.925  1 46.269  ? 19  B 1 c
ATOM 2673 H HB2  . PHE Bxp B 11  ? 20.816 59.436 76.157  1 46.292  ? 19  B 1 c
ATOM 2674 H HD1  . PHE Bxp B 11  ? 21.658 58.506 78.223  1 49.763  ? 19  B 1 c
ATOM 2675 H HD2  . PHE Bxp B 11  ? 24.154 58.951 75.118  1 51.028  ? 19  B 1 c
ATOM 2676 H HE1  . PHE Bxp B 11  ? 23.209 57.13  79.263  1 52.903  ? 19  B 1 c
ATOM 2677 H HE2  . PHE Bxp B 11  ? 25.701 57.57  76.169  1 53.742  ? 19  B 1 c
ATOM 2678 H HZ   . PHE Bxp B 11  ? 25.234 56.657 78.245  1 53.12   ? 19  B 1 c
ATOM 2679 N N    . LEU Bxp B 12  ? 20.637 62.3   74.386  1 49.017  ? 20  B 1 .
ATOM 2680 C CA   . LEU Bxp B 12  ? 19.511 62.855 73.652  1 47.004  ? 20  B 1 .
ATOM 2681 C C    . LEU Bxp B 12  ? 19.212 61.971 72.453  1 48.306  ? 20  B 1 .
ATOM 2682 O O    . LEU Bxp B 12  ? 20.102 61.74  71.646  1 52.164  ? 20  B 1 .
ATOM 2683 C CB   . LEU Bxp B 12  ? 19.88  64.25  73.175  1 44.517  ? 20  B 1 .
ATOM 2684 C CG   . LEU Bxp B 12  ? 18.701 65.143 72.787  1 47.759  ? 20  B 1 .
ATOM 2685 C CD1  . LEU Bxp B 12  ? 17.88  65.589 73.977  1 48.111  ? 20  B 1 .
ATOM 2686 C CD2  . LEU Bxp B 12  ? 19.217 66.366 72.073  1 52.534  ? 20  B 1 .
ATOM 2687 H H    . LEU Bxp B 12  ? 21.426 62.185 73.939  1 48.423  ? 20  B 1 c
ATOM 2688 H HA   . LEU Bxp B 12  ? 18.719 62.897 74.245  1 47.216  ? 20  B 1 c
ATOM 2689 H HB3  . LEU Bxp B 12  ? 20.479 64.166 72.398  1 45.91   ? 20  B 1 c
ATOM 2690 H HB2  . LEU Bxp B 12  ? 20.381 64.697 73.893  1 45.808  ? 20  B 1 c
ATOM 2691 H HG   . LEU Bxp B 12  ? 18.113 64.639 72.167  1 48.061  ? 20  B 1 c
ATOM 2692 H HD11 . LEU Bxp B 12  ? 17.408 64.826 74.351  1 48.012  ? 20  B 1 c
ATOM 2693 H HD12 . LEU Bxp B 12  ? 17.236 66.26  73.695  1 48.051  ? 20  B 1 c
ATOM 2694 H HD13 . LEU Bxp B 12  ? 18.467 65.968 74.653  1 48.016  ? 20  B 1 c
ATOM 2695 H HD21 . LEU Bxp B 12  ? 19.708 66.096 71.279  1 51.029  ? 20  B 1 c
ATOM 2696 H HD22 . LEU Bxp B 12  ? 19.807 66.863 72.664  1 51.052  ? 20  B 1 c
ATOM 2697 H HD23 . LEU Bxp B 12  ? 18.47  66.931 71.813  1 51.036  ? 20  B 1 c
ATOM 2698 N N    . ILE Bxp B 13  ? 17.966 61.504 72.321  1 51.36   ? 21  B 1 .
ATOM 2699 C CA   . ILE Bxp B 13  ? 17.577 60.691 71.169  1 48.793  ? 21  B 1 .
ATOM 2700 C C    . ILE Bxp B 13  ? 16.682 61.481 70.208  1 48.935  ? 21  B 1 .
ATOM 2701 O O    . ILE Bxp B 13  ? 15.545 61.74  70.574  1 53.819  ? 21  B 1 .
ATOM 2702 C CB   . ILE Bxp B 13  ? 16.835 59.453 71.658  1 40.393  ? 21  B 1 .
ATOM 2703 C CG1  . ILE Bxp B 13  ? 17.552 58.796 72.809  1 39.389  ? 21  B 1 .
ATOM 2704 C CG2  . ILE Bxp B 13  ? 16.589 58.513 70.493  1 41.793  ? 21  B 1 .
ATOM 2705 C CD1  . ILE Bxp B 13  ? 16.896 57.512 73.277  1 39.601  ? 21  B 1 .
ATOM 2706 H H    . ILE Bxp B 13  ? 17.34  61.695 72.959  1 49.902  ? 21  B 1 c
ATOM 2707 H HA   . ILE Bxp B 13  ? 18.378 60.406 70.696  1 47.65   ? 21  B 1 c
ATOM 2708 H HB   . ILE Bxp B 13  ? 15.971 59.742 71.982  1 42.318  ? 21  B 1 c
ATOM 2709 H HG12 . ILE Bxp B 13  ? 17.585 59.422 73.561  1 39.789  ? 21  B 1 c
ATOM 2710 H HG13 . ILE Bxp B 13  ? 18.472 58.601 72.539  1 39.69   ? 21  B 1 c
ATOM 2711 H HG21 . ILE Bxp B 13  ? 15.761 58.026 70.639  1 41.788  ? 21  B 1 c
ATOM 2712 H HG22 . ILE Bxp B 13  ? 17.323 57.882 70.427  1 41.656  ? 21  B 1 c
ATOM 2713 H HG23 . ILE Bxp B 13  ? 16.524 59.018 69.666  1 41.834  ? 21  B 1 c
ATOM 2714 H HD11 . ILE Bxp B 13  ? 15.933 57.557 73.123  1 39.659  ? 21  B 1 c
ATOM 2715 H HD12 . ILE Bxp B 13  ? 17.065 57.388 74.23   1 39.567  ? 21  B 1 c
ATOM 2716 H HD13 . ILE Bxp B 13  ? 17.267 56.757 72.782  1 39.567  ? 21  B 1 c
ATOM 2717 N N    . THR Bxp B 14  ? 17.189 61.863 69.017  1 46.123  ? 22  B 1 .
ATOM 2718 C CA   . THR Bxp B 14  ? 16.556 62.879 68.183  1 47.238  ? 22  B 1 .
ATOM 2719 C C    . THR Bxp B 14  ? 16.189 62.275 66.838  1 54.334  ? 22  B 1 .
ATOM 2720 O O    . THR Bxp B 14  ? 16.453 61.105 66.548  1 51.641  ? 22  B 1 .
ATOM 2721 C CB   . THR Bxp B 14  ? 17.4   64.143 67.952  1 49.455  ? 22  B 1 .
ATOM 2722 O OG1  . THR Bxp B 14  ? 18.591 63.844 67.242  1 53.611  ? 22  B 1 .
ATOM 2723 C CG2  . THR Bxp B 14  ? 17.918 64.802 69.215  1 54.312  ? 22  B 1 .
ATOM 2724 H H    . THR Bxp B 14  ? 17.958 61.47  68.717  1 47.036  ? 22  B 1 c
ATOM 2725 H HA   . THR Bxp B 14  ? 15.725 63.155 68.626  1 48.776  ? 22  B 1 c
ATOM 2726 H HB   . THR Bxp B 14  ? 16.879 64.811 67.447  1 50.878  ? 22  B 1 c
ATOM 2727 H HG1  . THR Bxp B 14  ? 19.057 63.41  67.901  0 37.17   ? 22  B 1 c
ATOM 2728 H HG21 . THR Bxp B 14  ? 18.422 65.599 68.981  1 52.816  ? 22  B 1 c
ATOM 2729 H HG22 . THR Bxp B 14  ? 18.496 64.182 69.691  1 52.788  ? 22  B 1 c
ATOM 2730 H HG23 . THR Bxp B 14  ? 17.169 65.047 69.783  1 52.816  ? 22  B 1 c
ATOM 2731 N N    . HIS Bxp B 15  ? 15.534 63.133 66.055  1 66.048  ? 23  B 1 .
ATOM 2732 C CA   . HIS Bxp B 15  ? 15.063 62.853 64.715  1 69.651  ? 23  B 1 .
ATOM 2733 C C    . HIS Bxp B 15  ? 16.086 63.351 63.697  1 71.475  ? 23  B 1 .
ATOM 2734 O O    . HIS Bxp B 15  ? 16.674 64.419 63.853  1 71.263  ? 23  B 1 .
ATOM 2735 C CB   . HIS Bxp B 15  ? 13.734 63.597 64.554  1 75.2    ? 23  B 1 .
ATOM 2736 C CG   . HIS Bxp B 15  ? 12.581 62.974 65.262  1 74.231  ? 23  B 1 .
ATOM 2737 N ND1  . HIS Bxp B 15  ? 12.213 61.676 64.982  1 90.523  ? 23  B 1 .
ATOM 2738 C CD2  . HIS Bxp B 15  ? 11.686 63.434 66.123  1 77.33   ? 23  B 1 .
ATOM 2739 C CE1  . HIS Bxp B 15  ? 11.143 61.353 65.682  1 85.817  ? 23  B 1 .
ATOM 2740 N NE2  . HIS Bxp B 15  ? 10.81  62.409 66.384  1 95.555  ? 23  B 1 .
ATOM 2741 H H    . HIS Bxp B 15  ? 15.35  63.959 66.398  1 63.461  ? 23  B 1 c
ATOM 2742 H HA   . HIS Bxp B 15  ? 14.936 61.879 64.598  1 70.087  ? 23  B 1 c
ATOM 2743 H HB3  . HIS Bxp B 15  ? 13.522 63.653 63.596  1 73.65   ? 23  B 1 c
ATOM 2744 H HB2  . HIS Bxp B 15  ? 13.846 64.517 64.879  1 73.556  ? 23  B 1 c
ATOM 2745 H HD1  . HIS Bxp B 15  ? 12.863 60.862 64.977  0 82.07   ? 23  B 1 c
ATOM 2746 H HD2  . HIS Bxp B 15  ? 11.659 64.29  66.501  1 80.41   ? 23  B 1 c
ATOM 2747 H HE1  . HIS Bxp B 15  ? 10.707 60.518 65.688  1 88.908  ? 23  B 1 c
ATOM 2748 H HE2  . HIS Bxp B 15  ? 10.069 62.61  66.879  0 82.07   ? 23  B 1 c
ATOM 2749 N N    . ASN Bxp B 16  ? 16.262 62.611 62.604  1 71.959  ? 24  B 1 .
ATOM 2750 C CA   . ASN Bxp B 16  ? 17.195 63.048 61.577  1 61.76   ? 24  B 1 .
ATOM 2751 C C    . ASN Bxp B 16  ? 16.78  64.436 61.102  1 52.901  ? 24  B 1 .
ATOM 2752 O O    . ASN Bxp B 16  ? 15.649 64.636 60.694  1 53.898  ? 24  B 1 .
ATOM 2753 C CB   . ASN Bxp B 16  ? 17.253 62.06  60.419  1 59.433  ? 24  B 1 .
ATOM 2754 C CG   . ASN Bxp B 16  ? 18.488 62.263 59.584  1 63.998  ? 24  B 1 .
ATOM 2755 O OD1  . ASN Bxp B 16  ? 19.262 63.193 59.812  1 70.866  ? 24  B 1 .
ATOM 2756 N ND2  . ASN Bxp B 16  ? 18.701 61.393 58.62   1 72.28   ? 24  B 1 .
ATOM 2757 H H    . ASN Bxp B 16  ? 15.8   61.83  62.492  1 69.291  ? 24  B 1 c
ATOM 2758 H HA   . ASN Bxp B 16  ? 18.091 63.096 61.979  1 61.506  ? 24  B 1 c
ATOM 2759 H HB3  . ASN Bxp B 16  ? 16.46  62.169 59.857  1 60.984  ? 24  B 1 c
ATOM 2760 H HB2  . ASN Bxp B 16  ? 17.254 61.151 60.775  1 61.226  ? 24  B 1 c
ATOM 2761 H HD21 . ASN Bxp B 16  ? 18.687 61.657 57.774  1 69.627  ? 24  B 1 c
ATOM 2762 H HD22 . ASN Bxp B 16  ? 18.857 60.542 58.819  1 69.645  ? 24  B 1 c
ATOM 2763 N N    . PRO Bxp B 17  ? 17.648 65.461 61.133  1 56.2    ? 25  B 1 .
ATOM 2764 C CA   . PRO Bxp B 17  ? 17.27  66.774 60.635  1 60.828  ? 25  B 1 .
ATOM 2765 C C    . PRO Bxp B 17  ? 17.23  66.824 59.113  1 70.204  ? 25  B 1 .
ATOM 2766 O O    . PRO Bxp B 17  ? 17.958 66.093 58.439  1 76.558  ? 25  B 1 .
ATOM 2767 C CB   . PRO Bxp B 17  ? 18.371 67.688 61.174  1 59.053  ? 25  B 1 .
ATOM 2768 C CG   . PRO Bxp B 17  ? 19.584 66.765 61.107  1 57.803  ? 25  B 1 .
ATOM 2769 C CD   . PRO Bxp B 17  ? 19.047 65.429 61.582  1 63.747  ? 25  B 1 .
ATOM 2770 H HA   . PRO Bxp B 17  ? 16.401 67.035 61.004  1 61.165  ? 25  B 1 c
ATOM 2771 H HB3  . PRO Bxp B 17  ? 18.184 67.963 62.092  1 59.155  ? 25  B 1 c
ATOM 2772 H HB2  . PRO Bxp B 17  ? 18.49  68.475 60.607  1 59.216  ? 25  B 1 c
ATOM 2773 H HG3  . PRO Bxp B 17  ? 20.3   67.08  61.692  1 59.416  ? 25  B 1 c
ATOM 2774 H HG2  . PRO Bxp B 17  ? 19.925 66.697 60.193  1 59.507  ? 25  B 1 c
ATOM 2775 H HD3  . PRO Bxp B 17  ? 19.529 64.69  61.176  1 60.645  ? 25  B 1 c
ATOM 2776 H HD2  . PRO Bxp B 17  ? 19.097 65.352 62.555  1 60.577  ? 25  B 1 c
ATOM 2777 N N    . THR Bxp B 18  ? 16.401 67.724 58.583  1 79.867  ? 26  B 1 .
ATOM 2778 C CA   . THR Bxp B 18  ? 16.353 67.96  57.152  1 74.093  ? 26  B 1 .
ATOM 2779 C C    . THR Bxp B 18  ? 17.487 68.908 56.799  1 78.451  ? 26  B 1 .
ATOM 2780 O O    . THR Bxp B 18  ? 18.064 69.574 57.653  1 78.312  ? 26  B 1 .
ATOM 2781 C CB   . THR Bxp B 18  ? 15.003 68.535 56.727  1 77.116  ? 26  B 1 .
ATOM 2782 O OG1  . THR Bxp B 18  ? 14.965 69.888 57.185  1 80.36   ? 26  B 1 .
ATOM 2783 C CG2  . THR Bxp B 18  ? 13.833 67.714 57.251  1 76.148  ? 26  B 1 .
ATOM 2784 H H    . THR Bxp B 18  ? 15.853 68.21  59.13   1 75.906  ? 26  B 1 c
ATOM 2785 H HA   . THR Bxp B 18  ? 16.492 67.107 56.687  1 76.61   ? 26  B 1 c
ATOM 2786 H HB   . THR Bxp B 18  ? 14.957 68.534 55.741  1 76.992  ? 26  B 1 c
ATOM 2787 H HG1  . THR Bxp B 18  ? 14.985 69.876 58.185  0 71.63   ? 26  B 1 c
ATOM 2788 H HG21 . THR Bxp B 18  ? 13.037 67.913 56.729  1 76.431  ? 26  B 1 c
ATOM 2789 H HG22 . THR Bxp B 18  ? 13.672 67.935 58.183  1 76.429  ? 26  B 1 c
ATOM 2790 H HG23 . THR Bxp B 18  ? 14.04  66.767 57.175  1 76.431  ? 26  B 1 c
ATOM 2791 N N    . ASN Bxp B 19  ? 17.739 68.981 55.499  1 98.676  ? 27  B 1 .
ATOM 2792 C CA   . ASN Bxp B 19  ? 18.715 69.878 54.905  1 107.816 ? 27  B 1 .
ATOM 2793 C C    . ASN Bxp B 19  ? 18.395 71.307 55.368  1 96.523  ? 27  B 1 .
ATOM 2794 O O    . ASN Bxp B 19  ? 19.279 72.141 55.542  1 76.871  ? 27  B 1 .
ATOM 2795 C CB   . ASN Bxp B 19  ? 18.738 69.625 53.392  1 119.95  ? 27  B 1 .
ATOM 2796 C CG   . ASN Bxp B 19  ? 18.44  68.175 53.022  1 120.584 ? 27  B 1 .
ATOM 2797 O OD1  . ASN Bxp B 19  ? 19.331 67.306 53.075  1 111.555 ? 27  B 1 .
ATOM 2798 N ND2  . ASN Bxp B 19  ? 17.194 67.882 52.649  1 99.045  ? 27  B 1 .
ATOM 2799 H H    . ASN Bxp B 19  ? 17.253 68.443 54.945  1 95.305  ? 27  B 1 c
ATOM 2800 H HA   . ASN Bxp B 19  ? 19.602 69.635 55.255  1 105.921 ? 27  B 1 c
ATOM 2801 H HB3  . ASN Bxp B 19  ? 19.619 69.866 53.043  1 117.21  ? 27  B 1 c
ATOM 2802 H HB2  . ASN Bxp B 19  ? 18.077 70.204 52.963  1 117.139 ? 27  B 1 c
ATOM 2803 H HD21 . ASN Bxp B 19  ? 16.998 67.064 52.368  1 105.308 ? 27  B 1 c
ATOM 2804 H HD22 . ASN Bxp B 19  ? 16.56  68.503 52.68   1 105.355 ? 27  B 1 c
ATOM 2805 N N    . ALA Bxp B 20  ? 17.104 71.554 55.627  1 102.693 ? 28  B 1 .
ATOM 2806 C CA   . ALA Bxp B 20  ? 16.574 72.881 55.883  1 106.61  ? 28  B 1 .
ATOM 2807 C C    . ALA Bxp B 20  ? 16.265 73.129 57.361  1 107.166 ? 28  B 1 .
ATOM 2808 O O    . ALA Bxp B 20  ? 16.016 74.269 57.744  1 106.889 ? 28  B 1 .
ATOM 2809 C CB   . ALA Bxp B 20  ? 15.324 73.061 55.052  1 115.696 ? 28  B 1 .
ATOM 2810 H H    . ALA Bxp B 20  ? 16.514 70.857 55.614  1 101.949 ? 28  B 1 c
ATOM 2811 H HA   . ALA Bxp B 20  ? 17.252 73.551 55.592  1 107.264 ? 28  B 1 c
ATOM 2812 H HB3  . ALA Bxp B 20  ? 14.953 73.946 55.207  1 112.922 ? 28  B 1 c
ATOM 2813 H HB2  . ALA Bxp B 20  ? 14.667 72.389 55.3    1 112.922 ? 28  B 1 c
ATOM 2814 H HB1  . ALA Bxp B 20  ? 15.542 72.965 54.109  1 112.922 ? 28  B 1 c
ATOM 2815 N N    . THR Bxp B 21  ? 16.224 72.085 58.201  1 106.261 ? 29  B 1 .
ATOM 2816 C CA   . THR Bxp B 21  ? 16.028 72.295 59.634  1 81.482  ? 29  B 1 .
ATOM 2817 C C    . THR Bxp B 21  ? 17.363 72.153 60.36   1 74.231  ? 29  B 1 .
ATOM 2818 O O    . THR Bxp B 21  ? 17.403 72.172 61.578  1 78.714  ? 29  B 1 .
ATOM 2819 C CB   . THR Bxp B 21  ? 14.992 71.324 60.198  1 68.343  ? 29  B 1 .
ATOM 2820 O OG1  . THR Bxp B 21  ? 15.5   70.002 60.068  1 64.328  ? 29  B 1 .
ATOM 2821 C CG2  . THR Bxp B 21  ? 13.662 71.401 59.478  1 69.358  ? 29  B 1 .
ATOM 2822 H H    . THR Bxp B 21  ? 16.31  71.233 57.884  1 100.201 ? 29  B 1 c
ATOM 2823 H HA   . THR Bxp B 21  ? 15.696 73.208 59.772  1 81.957  ? 29  B 1 c
ATOM 2824 H HB   . THR Bxp B 21  ? 14.846 71.521 61.154  1 69.965  ? 29  B 1 c
ATOM 2825 H HG1  . THR Bxp B 21  ? 15.557 69.804 59.263  0 51.9    ? 29  B 1 c
ATOM 2826 H HG21 . THR Bxp B 21  ? 13.355 70.504 59.263  1 69.138  ? 29  B 1 c
ATOM 2827 H HG22 . THR Bxp B 21  ? 13.761 71.913 58.658  1 69.319  ? 29  B 1 c
ATOM 2828 H HG23 . THR Bxp B 21  ? 13.008 71.837 60.051  1 69.122  ? 29  B 1 c
ATOM 2829 N N    . LEU Bxp B 22  ? 18.457 72.058 59.604  1 74.518  ? 30  B 1 .
ATOM 2830 C CA   . LEU Bxp B 22  ? 19.766 71.779 60.163  1 72.574  ? 30  B 1 .
ATOM 2831 C C    . LEU Bxp B 22  ? 20.248 72.91  61.066  1 66.509  ? 30  B 1 .
ATOM 2832 O O    . LEU Bxp B 22  ? 20.946 72.637 62.035  1 72.652  ? 30  B 1 .
ATOM 2833 C CB   . LEU Bxp B 22  ? 20.802 71.514 59.073  1 68.586  ? 30  B 1 .
ATOM 2834 C CG   . LEU Bxp B 22  ? 22.185 71.131 59.603  1 67.892  ? 30  B 1 .
ATOM 2835 C CD1  . LEU Bxp B 22  ? 22.079 69.717 60.155  1 69.979  ? 30  B 1 .
ATOM 2836 C CD2  . LEU Bxp B 22  ? 23.32  71.275 58.594  1 70.305  ? 30  B 1 .
ATOM 2837 H H    . LEU Bxp B 22  ? 18.389 72.179 58.701  1 74.414  ? 30  B 1 c
ATOM 2838 H HA   . LEU Bxp B 22  ? 19.681 70.965 60.722  1 71.081  ? 30  B 1 c
ATOM 2839 H HB3  . LEU Bxp B 22  ? 20.89  72.327 58.525  1 69.317  ? 30  B 1 c
ATOM 2840 H HB2  . LEU Bxp B 22  ? 20.47  70.786 58.498  1 69.32   ? 30  B 1 c
ATOM 2841 H HG   . LEU Bxp B 22  ? 22.399 71.729 60.363  1 68.865  ? 30  B 1 c
ATOM 2842 H HD11 . LEU Bxp B 22  ? 21.596 69.731 60.998  1 69.384  ? 30  B 1 c
ATOM 2843 H HD12 . LEU Bxp B 22  ? 22.97  69.358 60.302  1 69.368  ? 30  B 1 c
ATOM 2844 H HD13 . LEU Bxp B 22  ? 21.605 69.152 59.521  1 69.36   ? 30  B 1 c
ATOM 2845 H HD21 . LEU Bxp B 22  ? 23.354 72.191 58.272  1 69.586  ? 30  B 1 c
ATOM 2846 H HD22 . LEU Bxp B 22  ? 23.167 70.674 57.845  1 69.586  ? 30  B 1 c
ATOM 2847 H HD23 . LEU Bxp B 22  ? 24.164 71.05  59.02   1 69.586  ? 30  B 1 c
ATOM 2848 N N    . ASN Bxp B 23  ? 19.96  74.169 60.728  1 64.891  ? 31  B 1 .
ATOM 2849 C CA   . ASN Bxp B 23  ? 20.475 75.251 61.552  1 74.609  ? 31  B 1 .
ATOM 2850 C C    . ASN Bxp B 23  ? 19.79  75.245 62.914  1 69.437  ? 31  B 1 .
ATOM 2851 O O    . ASN Bxp B 23  ? 20.457 75.538 63.898  1 69.567  ? 31  B 1 .
ATOM 2852 C CB   . ASN Bxp B 23  ? 20.427 76.622 60.886  1 78.959  ? 31  B 1 .
ATOM 2853 C CG   . ASN Bxp B 23  ? 21.499 76.758 59.833  1 89.545  ? 31  B 1 .
ATOM 2854 O OD1  . ASN Bxp B 23  ? 22.672 76.433 60.065  1 90.025  ? 31  B 1 .
ATOM 2855 N ND2  . ASN Bxp B 23  ? 21.114 77.226 58.66   1 100.98  ? 31  B 1 .
ATOM 2856 H H    . ASN Bxp B 23  ? 19.453 74.358 59.991  1 67.39   ? 31  B 1 c
ATOM 2857 H HA   . ASN Bxp B 23  ? 21.426 75.058 61.716  1 72.545  ? 31  B 1 c
ATOM 2858 H HB3  . ASN Bxp B 23  ? 20.55  77.317 61.563  1 80.219  ? 31  B 1 c
ATOM 2859 H HB2  . ASN Bxp B 23  ? 19.55  76.751 60.473  1 80.441  ? 31  B 1 c
ATOM 2860 H HD21 . ASN Bxp B 23  ? 21.425 76.861 57.914  1 97.277  ? 31  B 1 c
ATOM 2861 H HD22 . ASN Bxp B 23  ? 20.544 77.905 58.62   1 97.165  ? 31  B 1 c
ATOM 2862 N N    . LYS Bxp B 24  ? 18.485 74.936 62.964  1 66.136  ? 32  B 1 .
ATOM 2863 C CA   . LYS Bxp B 24  ? 17.779 74.893 64.232  1 72.528  ? 32  B 1 .
ATOM 2864 C C    . LYS Bxp B 24  ? 18.243 73.679 65.041  1 69.176  ? 32  B 1 .
ATOM 2865 O O    . LYS Bxp B 24  ? 18.576 73.794 66.227  1 76.477  ? 32  B 1 .
ATOM 2866 C CB   . LYS Bxp B 24  ? 16.262 74.955 64.031  1 82.248  ? 32  B 1 .
ATOM 2867 C CG   . LYS Bxp B 24  ? 15.661 76.361 63.985  1 98.606  ? 32  B 1 .
ATOM 2868 C CD   . LYS Bxp B 24  ? 14.153 76.413 64.233  1 113.111 ? 32  B 1 .
ATOM 2869 C CE   . LYS Bxp B 24  ? 13.548 77.796 64.27   1 120.781 ? 32  B 1 .
ATOM 2870 N NZ   . LYS Bxp B 24  ? 13.514 78.463 62.962  1 121.871 ? 32  B 1 .
ATOM 2871 H H    . LYS Bxp B 24  ? 18.028 74.754 62.193  1 68.524  ? 32  B 1 c
ATOM 2872 H HA   . LYS Bxp B 24  ? 18.034 75.704 64.742  1 72.523  ? 32  B 1 c
ATOM 2873 H HB3  . LYS Bxp B 24  ? 15.831 74.461 64.761  1 83.187  ? 32  B 1 c
ATOM 2874 H HB2  . LYS Bxp B 24  ? 16.038 74.496 63.193  1 83.071  ? 32  B 1 c
ATOM 2875 H HG3  . LYS Bxp B 24  ? 15.852 76.751 63.104  1 97.554  ? 32  B 1 c
ATOM 2876 H HG2  . LYS Bxp B 24  ? 16.112 76.915 64.658  1 97.389  ? 32  B 1 c
ATOM 2877 H HD3  . LYS Bxp B 24  ? 13.964 75.965 65.086  1 111.316 ? 32  B 1 c
ATOM 2878 H HD2  . LYS Bxp B 24  ? 13.705 75.894 63.529  1 111.366 ? 32  B 1 c
ATOM 2879 H HE3  . LYS Bxp B 24  ? 14.059 78.349 64.888  1 119.245 ? 32  B 1 c
ATOM 2880 H HE2  . LYS Bxp B 24  ? 12.638 77.735 64.612  1 119.245 ? 32  B 1 c
ATOM 2881 H HZ1  . LYS Bxp B 24  ? 13.176 77.899 62.339  1 121.415 ? 32  B 1 c
ATOM 2882 H HZ2  . LYS Bxp B 24  ? 14.353 78.705 62.72   1 121.507 ? 32  B 1 c
ATOM 2883 H HZ3  . LYS Bxp B 24  ? 12.993 79.202 63.008  1 121.507 ? 32  B 1 c
ATOM 2884 N N    . PHE Bxp B 25  ? 18.266 72.515 64.387  1 59.42   ? 33  B 1 .
ATOM 2885 C CA   . PHE Bxp B 25  ? 18.768 71.287 64.997  1 58.638  ? 33  B 1 .
ATOM 2886 C C    . PHE Bxp B 25  ? 20.021 71.557 65.831  1 57.049  ? 33  B 1 .
ATOM 2887 O O    . PHE Bxp B 25  ? 20.078 71.14  66.984  1 56.082  ? 33  B 1 .
ATOM 2888 C CB   . PHE Bxp B 25  ? 19.12  70.268 63.915  1 58.265  ? 33  B 1 .
ATOM 2889 C CG   . PHE Bxp B 25  ? 19.544 68.898 64.413  1 55.385  ? 33  B 1 .
ATOM 2890 C CD1  . PHE Bxp B 25  ? 18.698 68.131 65.199  1 55.506  ? 33  B 1 .
ATOM 2891 C CD2  . PHE Bxp B 25  ? 20.779 68.366 64.06   1 61.027  ? 33  B 1 .
ATOM 2892 C CE1  . PHE Bxp B 25  ? 19.081 66.866 65.633  1 58.276  ? 33  B 1 .
ATOM 2893 C CE2  . PHE Bxp B 25  ? 21.165 67.102 64.5    1 59.135  ? 33  B 1 .
ATOM 2894 C CZ   . PHE Bxp B 25  ? 20.317 66.355 65.286  1 57.988  ? 33  B 1 .
ATOM 2895 H H    . PHE Bxp B 25  ? 17.951 72.48  63.53   1 61.481  ? 33  B 1 c
ATOM 2896 H HA   . PHE Bxp B 25  ? 18.062 70.907 65.584  1 58.401  ? 33  B 1 c
ATOM 2897 H HB3  . PHE Bxp B 25  ? 19.845 70.64  63.365  1 57.766  ? 33  B 1 c
ATOM 2898 H HB2  . PHE Bxp B 25  ? 18.338 70.159 63.33   1 57.717  ? 33  B 1 c
ATOM 2899 H HD1  . PHE Bxp B 25  ? 17.851 68.471 65.44   1 56.185  ? 33  B 1 c
ATOM 2900 H HD2  . PHE Bxp B 25  ? 21.366 68.872 63.521  1 59.181  ? 33  B 1 c
ATOM 2901 H HE1  . PHE Bxp B 25  ? 18.498 66.359 66.175  1 57.57   ? 33  B 1 c
ATOM 2902 H HE2  . PHE Bxp B 25  ? 22.011 66.758 64.259  1 59.24   ? 33  B 1 c
ATOM 2903 H HZ   . PHE Bxp B 25  ? 20.578 65.499 65.586  1 58.307  ? 33  B 1 c
ATOM 2904 N N    . ILE Bxp B 26  ? 21     72.247 65.219  1 56.337  ? 34  B 1 .
ATOM 2905 C CA   . ILE Bxp B 26  ? 22.228 72.675 65.87   1 58.777  ? 34  B 1 .
ATOM 2906 C C    . ILE Bxp B 26  ? 21.863 73.479 67.107  1 57.706  ? 34  B 1 .
ATOM 2907 O O    . ILE Bxp B 26  ? 22.236 73.152 68.226  1 63.32   ? 34  B 1 .
ATOM 2908 C CB   . ILE Bxp B 26  ? 23.099 73.561 64.954  1 66.381  ? 34  B 1 .
ATOM 2909 C CG1  . ILE Bxp B 26  ? 23.599 72.852 63.684  1 74.944  ? 34  B 1 .
ATOM 2910 C CG2  . ILE Bxp B 26  ? 24.253 74.171 65.753  1 61.587  ? 34  B 1 .
ATOM 2911 C CD1  . ILE Bxp B 26  ? 24.531 71.696 63.939  1 86.017  ? 34  B 1 .
ATOM 2912 H H    . ILE Bxp B 26  ? 20.884 72.468 64.34   1 57.356  ? 34  B 1 c
ATOM 2913 H HA   . ILE Bxp B 26  ? 22.74  71.887 66.137  1 59.486  ? 34  B 1 c
ATOM 2914 H HB   . ILE Bxp B 26  ? 22.537 74.301 64.656  1 65.467  ? 34  B 1 c
ATOM 2915 H HG12 . ILE Bxp B 26  ? 24.06  73.508 63.122  1 75.15   ? 34  B 1 c
ATOM 2916 H HG13 . ILE Bxp B 26  ? 22.827 72.523 63.184  1 75.004  ? 34  B 1 c
ATOM 2917 H HG21 . ILE Bxp B 26  ? 24.976 74.402 65.147  1 63.229  ? 34  B 1 c
ATOM 2918 H HG22 . ILE Bxp B 26  ? 24.575 73.529 66.408  1 62.965  ? 34  B 1 c
ATOM 2919 H HG23 . ILE Bxp B 26  ? 23.948 74.974 66.208  1 62.983  ? 34  B 1 c
ATOM 2920 H HD11 . ILE Bxp B 26  ? 25.064 71.856 64.742  1 82.101  ? 34  B 1 c
ATOM 2921 H HD12 . ILE Bxp B 26  ? 25.123 71.605 63.171  1 81.355  ? 34  B 1 c
ATOM 2922 H HD13 . ILE Bxp B 26  ? 24.015 70.876 64.051  1 81.913  ? 34  B 1 c
ATOM 2923 N N    . GLU Bxp B 27  ? 21.171 74.582 66.856  1 63.992  ? 35  B 1 .
ATOM 2924 C CA   . GLU Bxp B 27  ? 20.856 75.553 67.884  1 68.666  ? 35  B 1 .
ATOM 2925 C C    . GLU Bxp B 27  ? 20.313 74.825 69.115  1 59.437  ? 35  B 1 .
ATOM 2926 O O    . GLU Bxp B 27  ? 20.589 75.229 70.244  1 49.475  ? 35  B 1 .
ATOM 2927 C CB   . GLU Bxp B 27  ? 19.861 76.529 67.253  1 81.276  ? 35  B 1 .
ATOM 2928 C CG   . GLU Bxp B 27  ? 19.721 77.847 68.007  1 97.324  ? 35  B 1 .
ATOM 2929 C CD   . GLU Bxp B 27  ? 18.343 78.484 67.886  1 108.57  ? 35  B 1 .
ATOM 2930 O OE1  . GLU Bxp B 27  ? 17.809 78.564 66.756  1 117.368 ? 35  B 1 .
ATOM 2931 O OE2  . GLU Bxp B 27  ? 17.808 78.9   68.936  1 101.694 ? 35  B 1 .
ATOM 2932 H H    . GLU Bxp B 27  ? 20.867 74.732 66.007  1 63.654  ? 35  B 1 c
ATOM 2933 H HA   . GLU Bxp B 27  ? 21.687 76.034 68.131  1 68.013  ? 35  B 1 c
ATOM 2934 H HB3  . GLU Bxp B 27  ? 18.983 76.098 67.205  1 81.56   ? 35  B 1 c
ATOM 2935 H HB2  . GLU Bxp B 27  ? 20.146 76.728 66.336  1 81.265  ? 35  B 1 c
ATOM 2936 H HG3  . GLU Bxp B 27  ? 20.389 78.481 67.67   1 95.713  ? 35  B 1 c
ATOM 2937 H HG2  . GLU Bxp B 27  ? 19.91  77.693 68.958  1 95.434  ? 35  B 1 c
ATOM 2938 N N    . GLU Bxp B 28  ? 19.529 73.764 68.869  1 52.476  ? 36  B 1 .
ATOM 2939 C CA   . GLU Bxp B 28  ? 18.899 73.001 69.926  1 50.992  ? 36  B 1 .
ATOM 2940 C C    . GLU Bxp B 28  ? 19.934 72.114 70.611  1 50.883  ? 36  B 1 .
ATOM 2941 O O    . GLU Bxp B 28  ? 20.099 72.166 71.831  1 52.315  ? 36  B 1 .
ATOM 2942 C CB   . GLU Bxp B 28  ? 17.75  72.211 69.309  1 60.556  ? 36  B 1 .
ATOM 2943 C CG   . GLU Bxp B 28  ? 17.064 71.274 70.296  1 76.131  ? 36  B 1 .
ATOM 2944 C CD   . GLU Bxp B 28  ? 16.295 70.123 69.656  1 90.882  ? 36  B 1 .
ATOM 2945 O OE1  . GLU Bxp B 28  ? 16.848 69.271 68.904  1 78.878  ? 36  B 1 .
ATOM 2946 O OE2  . GLU Bxp B 28  ? 15.087 70.085 69.964  1 113.671 ? 36  B 1 .
ATOM 2947 H H    . GLU Bxp B 28  ? 19.365 73.523 68.002  1 53.989  ? 36  B 1 c
ATOM 2948 H HA   . GLU Bxp B 28  ? 18.531 73.635 70.594  1 52.908  ? 36  B 1 c
ATOM 2949 H HB3  . GLU Bxp B 28  ? 18.094 71.684 68.559  1 61.359  ? 36  B 1 c
ATOM 2950 H HB2  . GLU Bxp B 28  ? 17.088 72.841 68.953  1 61.35   ? 36  B 1 c
ATOM 2951 H HG3  . GLU Bxp B 28  ? 16.441 71.795 70.846  1 75.391  ? 36  B 1 c
ATOM 2952 H HG2  . GLU Bxp B 28  ? 17.737 70.894 70.898  1 74.965  ? 36  B 1 c
ATOM 2953 N N    . LEU Bxp B 29  ? 20.619 71.28  69.817  1 56.665  ? 37  B 1 .
ATOM 2954 C CA   . LEU Bxp B 29  ? 21.69  70.414 70.312  1 54.268  ? 37  B 1 .
ATOM 2955 C C    . LEU Bxp B 29  ? 22.612 71.196 71.242  1 53.204  ? 37  B 1 .
ATOM 2956 O O    . LEU Bxp B 29  ? 23.05  70.676 72.265  1 48.874  ? 37  B 1 .
ATOM 2957 C CB   . LEU Bxp B 29  ? 22.485 69.835 69.141  1 52.299  ? 37  B 1 .
ATOM 2958 C CG   . LEU Bxp B 29  ? 21.861 68.643 68.414  1 54.192  ? 37  B 1 .
ATOM 2959 C CD1  . LEU Bxp B 29  ? 22.94  67.969 67.566  1 58.387  ? 37  B 1 .
ATOM 2960 C CD2  . LEU Bxp B 29  ? 21.192 67.669 69.374  1 52.577  ? 37  B 1 .
ATOM 2961 H H    . LEU Bxp B 29  ? 20.41  71.246 68.928  1 54.704  ? 37  B 1 c
ATOM 2962 H HA   . LEU Bxp B 29  ? 21.279 69.679 70.829  1 54.14   ? 37  B 1 c
ATOM 2963 H HB3  . LEU Bxp B 29  ? 23.376 69.577 69.464  1 53.346  ? 37  B 1 c
ATOM 2964 H HB2  . LEU Bxp B 29  ? 22.625 70.555 68.484  1 53.262  ? 37  B 1 c
ATOM 2965 H HG   . LEU Bxp B 29  ? 21.165 68.989 67.799  1 54.291  ? 37  B 1 c
ATOM 2966 H HD11 . LEU Bxp B 29  ? 23.418 68.642 67.053  1 57.112  ? 37  B 1 c
ATOM 2967 H HD12 . LEU Bxp B 29  ? 22.525 67.334 66.959  1 57.189  ? 37  B 1 c
ATOM 2968 H HD13 . LEU Bxp B 29  ? 23.564 67.501 68.146  1 57.143  ? 37  B 1 c
ATOM 2969 H HD21 . LEU Bxp B 29  ? 20.309 67.999 69.61   1 53.081  ? 37  B 1 c
ATOM 2970 H HD22 . LEU Bxp B 29  ? 21.729 67.58  70.178  1 53.111  ? 37  B 1 c
ATOM 2971 H HD23 . LEU Bxp B 29  ? 21.106 66.8   68.947  1 53.094  ? 37  B 1 c
ATOM 2972 N N    . LYS Bxp B 30  ? 22.926 72.428 70.824  1 60.799  ? 38  B 1 .
ATOM 2973 C CA   . LYS Bxp B 30  ? 23.814 73.334 71.536  1 68.372  ? 38  B 1 .
ATOM 2974 C C    . LYS Bxp B 30  ? 23.211 73.672 72.902  1 56.186  ? 38  B 1 .
ATOM 2975 O O    . LYS Bxp B 30  ? 23.902 73.639 73.911  1 48.903  ? 38  B 1 .
ATOM 2976 C CB   . LYS Bxp B 30  ? 24.016 74.525 70.594  1 87.632  ? 38  B 1 .
ATOM 2977 C CG   . LYS Bxp B 30  ? 25.005 75.587 71.012  1 112.269 ? 38  B 1 .
ATOM 2978 C CD   . LYS Bxp B 30  ? 26.425 75.281 70.556  1 125.545 ? 38  B 1 .
ATOM 2979 C CE   . LYS Bxp B 30  ? 27.27  76.521 70.631  1 138.796 ? 38  B 1 .
ATOM 2980 N NZ   . LYS Bxp B 30  ? 28.709 76.258 70.525  1 147.431 ? 38  B 1 .
ATOM 2981 H H    . LYS Bxp B 30  ? 22.57  72.715 70.032  1 60.88   ? 38  B 1 c
ATOM 2982 H HA   . LYS Bxp B 30  ? 24.682 72.877 71.674  1 67.46   ? 38  B 1 c
ATOM 2983 H HB3  . LYS Bxp B 30  ? 23.147 74.96  70.467  1 87.224  ? 38  B 1 c
ATOM 2984 H HB2  . LYS Bxp B 30  ? 24.297 74.177 69.721  1 87.613  ? 38  B 1 c
ATOM 2985 H HG3  . LYS Bxp B 30  ? 24.991 75.666 71.991  1 108.416 ? 38  B 1 c
ATOM 2986 H HG2  . LYS Bxp B 30  ? 24.722 76.447 70.633  1 108.818 ? 38  B 1 c
ATOM 2987 H HD3  . LYS Bxp B 30  ? 26.412 74.952 69.631  1 124.974 ? 38  B 1 c
ATOM 2988 H HD2  . LYS Bxp B 30  ? 26.812 74.587 71.133  1 125.329 ? 38  B 1 c
ATOM 2989 H HE3  . LYS Bxp B 30  ? 27.098 76.972 71.477  1 137.447 ? 38  B 1 c
ATOM 2990 H HE2  . LYS Bxp B 30  ? 27.01  77.126 69.914  1 137.571 ? 38  B 1 c
ATOM 2991 H HZ1  . LYS Bxp B 30  ? 28.909 75.987 69.684  1 144.658 ? 38  B 1 c
ATOM 2992 H HZ2  . LYS Bxp B 30  ? 28.947 75.609 71.111  1 144.461 ? 38  B 1 c
ATOM 2993 H HZ3  . LYS Bxp B 30  ? 29.173 77.013 70.713  1 144.658 ? 38  B 1 c
ATOM 2994 N N    . LYS Bxp B 31  ? 21.905 73.935 72.928  1 57.673  ? 39  B 1 .
ATOM 2995 C CA   . LYS Bxp B 31  ? 21.166 74.225 74.146  1 57.479  ? 39  B 1 .
ATOM 2996 C C    . LYS Bxp B 31  ? 21.268 73.056 75.122  1 56.499  ? 39  B 1 .
ATOM 2997 O O    . LYS Bxp B 31  ? 21.549 73.292 76.28   1 67.045  ? 39  B 1 .
ATOM 2998 C CB   . LYS Bxp B 31  ? 19.672 74.46  73.887  1 60.431  ? 39  B 1 .
ATOM 2999 C CG   . LYS Bxp B 31  ? 19.28  75.675 73.069  1 62.245  ? 39  B 1 .
ATOM 3000 C CD   . LYS Bxp B 31  ? 19.412 76.945 73.901  1 73.523  ? 39  B 1 .
ATOM 3001 C CE   . LYS Bxp B 31  ? 18.86  78.177 73.247  1 81.796  ? 39  B 1 .
ATOM 3002 N NZ   . LYS Bxp B 31  ? 17.445 77.993 72.923  1 88.557  ? 39  B 1 .
ATOM 3003 H H    . LYS Bxp B 31  ? 21.448 73.948 72.136  1 57.395  ? 39  B 1 c
ATOM 3004 H HA   . LYS Bxp B 31  ? 21.558 75.032 74.568  1 57.909  ? 39  B 1 c
ATOM 3005 H HB3  . LYS Bxp B 31  ? 19.226 74.529 74.758  1 60.27   ? 39  B 1 c
ATOM 3006 H HB2  . LYS Bxp B 31  ? 19.31  73.666 73.441  1 60.126  ? 39  B 1 c
ATOM 3007 H HG3  . LYS Bxp B 31  ? 18.353 75.572 72.764  1 64.409  ? 39  B 1 c
ATOM 3008 H HG2  . LYS Bxp B 31  ? 19.865 75.737 72.286  1 64.082  ? 39  B 1 c
ATOM 3009 H HD3  . LYS Bxp B 31  ? 20.362 77.092 74.099  1 72.555  ? 39  B 1 c
ATOM 3010 H HD2  . LYS Bxp B 31  ? 18.951 76.809 74.758  1 72.548  ? 39  B 1 c
ATOM 3011 H HE3  . LYS Bxp B 31  ? 19.354 78.364 72.428  1 81.346  ? 39  B 1 c
ATOM 3012 H HE2  . LYS Bxp B 31  ? 18.955 78.939 73.846  1 81.346  ? 39  B 1 c
ATOM 3013 H HZ1  . LYS Bxp B 31  ? 17.046 77.465 73.542  1 86.155  ? 39  B 1 c
ATOM 3014 H HZ2  . LYS Bxp B 31  ? 17.365 77.607 72.107  1 86.067  ? 39  B 1 c
ATOM 3015 H HZ3  . LYS Bxp B 31  ? 17.03  78.798 72.91   1 86.302  ? 39  B 1 c
ATOM 3016 N N    . TYR Bxp B 32  ? 21.028 71.811 74.673  1 53.958  ? 40  B 1 .
ATOM 3017 C CA   . TYR Bxp B 32  ? 21.159 70.63  75.526  1 51.055  ? 40  B 1 .
ATOM 3018 C C    . TYR Bxp B 32  ? 22.615 70.392 75.919  1 44.459  ? 40  B 1 .
ATOM 3019 O O    . TYR Bxp B 32  ? 22.927 69.486 76.678  1 45.679  ? 40  B 1 .
ATOM 3020 C CB   . TYR Bxp B 32  ? 20.638 69.337 74.88   1 46.746  ? 40  B 1 .
ATOM 3021 C CG   . TYR Bxp B 32  ? 19.124 69.279 74.824  1 50.227  ? 40  B 1 .
ATOM 3022 C CD1  . TYR Bxp B 32  ? 18.385 68.961 75.958  1 53.818  ? 40  B 1 .
ATOM 3023 C CD2  . TYR Bxp B 32  ? 18.427 69.595 73.664  1 55.445  ? 40  B 1 .
ATOM 3024 C CE1  . TYR Bxp B 32  ? 17.001 68.945 75.939  1 53.761  ? 40  B 1 .
ATOM 3025 C CE2  . TYR Bxp B 32  ? 17.039 69.576 73.633  1 58.282  ? 40  B 1 .
ATOM 3026 C CZ   . TYR Bxp B 32  ? 16.325 69.249 74.772  1 52.262  ? 40  B 1 .
ATOM 3027 O OH   . TYR Bxp B 32  ? 14.969 69.195 74.734  1 55.975  ? 40  B 1 .
ATOM 3028 H H    . TYR Bxp B 32  ? 20.77  71.696 73.803  1 53.877  ? 40  B 1 c
ATOM 3029 H HA   . TYR Bxp B 32  ? 20.637 70.792 76.356  1 49.592  ? 40  B 1 c
ATOM 3030 H HB3  . TYR Bxp B 32  ? 20.968 68.567 75.394  1 48.433  ? 40  B 1 c
ATOM 3031 H HB2  . TYR Bxp B 32  ? 20.996 69.274 73.966  1 48.467  ? 40  B 1 c
ATOM 3032 H HD1  . TYR Bxp B 32  ? 18.837 68.759 76.762  1 52.955  ? 40  B 1 c
ATOM 3033 H HD2  . TYR Bxp B 32  ? 18.905 69.826 72.883  1 54.755  ? 40  B 1 c
ATOM 3034 H HE1  . TYR Bxp B 32  ? 16.52  68.708 76.713  1 53.441  ? 40  B 1 c
ATOM 3035 H HE2  . TYR Bxp B 32  ? 16.582 69.775 72.834  1 56.081  ? 40  B 1 c
ATOM 3036 H HH   . TYR Bxp B 32  ? 14.567 69.07  75.575  0 38.63   ? 40  B 1 c
ATOM 3037 N N    . GLY Bxp B 33  ? 23.523 71.141 75.319  1 43.669  ? 41  B 1 .
ATOM 3038 C CA   . GLY Bxp B 33  ? 24.932 70.937 75.579  1 49.477  ? 41  B 1 .
ATOM 3039 C C    . GLY Bxp B 33  ? 25.46  69.589 75.086  1 50.504  ? 41  B 1 .
ATOM 3040 O O    . GLY Bxp B 33  ? 26.301 68.997 75.768  1 42.408  ? 41  B 1 .
ATOM 3041 H H    . GLY Bxp B 33  ? 23.273 71.779 74.717  1 45.356  ? 41  B 1 c
ATOM 3042 H HA3  . GLY Bxp B 33  ? 25.088 71.009 76.55   1 48.205  ? 41  B 1 c
ATOM 3043 H HA2  . GLY Bxp B 33  ? 25.441 71.66  75.143  1 48.233  ? 41  B 1 c
ATOM 3044 N N    . VAL Bxp B 34  ? 25.047 69.163 73.875  1 51.349  ? 42  B 1 .
ATOM 3045 C CA   . VAL Bxp B 34  ? 25.607 67.967 73.261  1 53.678  ? 42  B 1 .
ATOM 3046 C C    . VAL Bxp B 34  ? 26.949 68.307 72.61   1 54.632  ? 42  B 1 .
ATOM 3047 O O    . VAL Bxp B 34  ? 27.068 69.329 71.946  1 55.612  ? 42  B 1 .
ATOM 3048 C CB   . VAL Bxp B 34  ? 24.669 67.333 72.226  1 53.073  ? 42  B 1 .
ATOM 3049 C CG1  . VAL Bxp B 34  ? 23.254 67.197 72.739  1 57.522  ? 42  B 1 .
ATOM 3050 C CG2  . VAL Bxp B 34  ? 24.629 68.155 70.967  1 61.803  ? 42  B 1 .
ATOM 3051 H H    . VAL Bxp B 34  ? 24.407 69.635 73.425  1 51.719  ? 42  B 1 c
ATOM 3052 H HA   . VAL Bxp B 34  ? 25.764 67.317 73.965  1 53.112  ? 42  B 1 c
ATOM 3053 H HB   . VAL Bxp B 34  ? 25.019 66.437 72.011  1 55.55   ? 42  B 1 c
ATOM 3054 H HG11 . VAL Bxp B 34  ? 22.696 67.894 72.353  1 56.123  ? 42  B 1 c
ATOM 3055 H HG12 . VAL Bxp B 34  ? 23.248 67.282 73.704  1 55.842  ? 42  B 1 c
ATOM 3056 H HG13 . VAL Bxp B 34  ? 22.901 66.326 72.489  1 56.004  ? 42  B 1 c
ATOM 3057 H HG21 . VAL Bxp B 34  ? 23.854 67.902 70.443  1 58.74   ? 42  B 1 c
ATOM 3058 H HG22 . VAL Bxp B 34  ? 25.432 67.991 70.445  1 58.823  ? 42  B 1 c
ATOM 3059 H HG23 . VAL Bxp B 34  ? 24.577 69.097 71.193  1 58.672  ? 42  B 1 c
ATOM 3060 N N    . THR Bxp B 35  ? 27.952 67.445 72.812  1 54.502  ? 43  B 1 .
ATOM 3061 C CA   . THR Bxp B 35  ? 29.278 67.612 72.25   1 54.533  ? 43  B 1 .
ATOM 3062 C C    . THR Bxp B 35  ? 29.583 66.52  71.24   1 57.456  ? 43  B 1 .
ATOM 3063 O O    . THR Bxp B 35  ? 30.657 66.528 70.633  1 68.576  ? 43  B 1 .
ATOM 3064 C CB   . THR Bxp B 35  ? 30.289 67.521 73.381  1 65.261  ? 43  B 1 .
ATOM 3065 O OG1  . THR Bxp B 35  ? 30.11  66.248 74.01   1 57.759  ? 43  B 1 .
ATOM 3066 C CG2  . THR Bxp B 35  ? 30.157 68.703 74.324  1 76.369  ? 43  B 1 .
ATOM 3067 H H    . THR Bxp B 35  ? 27.801 66.722 73.351  1 54.431  ? 43  B 1 c
ATOM 3068 H HA   . THR Bxp B 35  ? 29.346 68.492 71.818  1 56.874  ? 43  B 1 c
ATOM 3069 H HB   . THR Bxp B 35  ? 31.196 67.555 72.993  1 63.497  ? 43  B 1 c
ATOM 3070 H HG1  . THR Bxp B 35  ? 29.374 66.413 74.469  0 71.03   ? 43  B 1 c
ATOM 3071 H HG21 . THR Bxp B 35  ? 30.137 68.384 75.242  1 72.777  ? 43  B 1 c
ATOM 3072 H HG22 . THR Bxp B 35  ? 29.336 69.186 74.132  1 72.665  ? 43  B 1 c
ATOM 3073 H HG23 . THR Bxp B 35  ? 30.917 69.298 74.205  1 73.025  ? 43  B 1 c
ATOM 3074 N N    . THR Bxp B 36  ? 28.657 65.569 71.108  1 48.469  ? 44  B 1 .
ATOM 3075 C CA   . THR Bxp B 36  ? 28.846 64.441 70.228  1 43.794  ? 44  B 1 .
ATOM 3076 C C    . THR Bxp B 36  ? 27.498 63.947 69.73   1 47.182  ? 44  B 1 .
ATOM 3077 O O    . THR Bxp B 36  ? 26.467 64.068 70.384  1 49.012  ? 44  B 1 .
ATOM 3078 C CB   . THR Bxp B 36  ? 29.587 63.338 70.96   1 40.479  ? 44  B 1 .
ATOM 3079 O OG1  . THR Bxp B 36  ? 30.881 63.902 71.106  1 43.055  ? 44  B 1 .
ATOM 3080 C CG2  . THR Bxp B 36  ? 29.676 62.07  70.131  1 39.72   ? 44  B 1 .
ATOM 3081 H H    . THR Bxp B 36  ? 27.876 65.628 71.578  1 49.428  ? 44  B 1 c
ATOM 3082 H HA   . THR Bxp B 36  ? 29.383 64.728 69.46   1 44.89   ? 44  B 1 c
ATOM 3083 H HB   . THR Bxp B 36  ? 29.187 63.163 71.845  1 41.418  ? 44  B 1 c
ATOM 3084 H HG1  . THR Bxp B 36  ? 31.339 63.985 70.494  0 18.55   ? 44  B 1 c
ATOM 3085 H HG21 . THR Bxp B 36  ? 30.357 61.487 70.507  1 40.051  ? 44  B 1 c
ATOM 3086 H HG22 . THR Bxp B 36  ? 29.915 62.294 69.217  1 40.1    ? 44  B 1 c
ATOM 3087 H HG23 . THR Bxp B 36  ? 28.819 61.611 70.14   1 40.071  ? 44  B 1 c
ATOM 3088 N N    . ILE Bxp B 37  ? 27.531 63.366 68.542  1 50.708  ? 45  B 1 .
ATOM 3089 C CA   . ILE Bxp B 37  ? 26.311 62.906 67.917  1 51.782  ? 45  B 1 .
ATOM 3090 C C    . ILE Bxp B 37  ? 26.686 61.666 67.123  1 45.218  ? 45  B 1 .
ATOM 3091 O O    . ILE Bxp B 37  ? 27.622 61.699 66.338  1 42.666  ? 45  B 1 .
ATOM 3092 C CB   . ILE Bxp B 37  ? 25.637 64.033 67.106  1 55.658  ? 45  B 1 .
ATOM 3093 C CG1  . ILE Bxp B 37  ? 24.479 63.55  66.329  1 59.526  ? 45  B 1 .
ATOM 3094 C CG2  . ILE Bxp B 37  ? 26.601 64.752 66.172  1 64.713  ? 45  B 1 .
ATOM 3095 C CD1  . ILE Bxp B 37  ? 23.742 64.697 65.659  1 69.871  ? 45  B 1 .
ATOM 3096 H H    . ILE Bxp B 37  ? 28.324 63.269 68.097  1 49.87   ? 45  B 1 c
ATOM 3097 H HA   . ILE Bxp B 37  ? 25.695 62.641 68.622  1 50.716  ? 45  B 1 c
ATOM 3098 H HB   . ILE Bxp B 37  ? 25.303 64.692 67.747  1 57.288  ? 45  B 1 c
ATOM 3099 H HG12 . ILE Bxp B 37  ? 23.865 63.076 66.926  1 60.741  ? 45  B 1 c
ATOM 3100 H HG13 . ILE Bxp B 37  ? 24.787 62.922 65.644  1 60.672  ? 45  B 1 c
ATOM 3101 H HG21 . ILE Bxp B 37  ? 26.237 65.621 65.931  1 61.677  ? 45  B 1 c
ATOM 3102 H HG22 . ILE Bxp B 37  ? 26.728 64.223 65.369  1 60.863  ? 45  B 1 c
ATOM 3103 H HG23 . ILE Bxp B 37  ? 27.456 64.876 66.614  1 61.438  ? 45  B 1 c
ATOM 3104 H HD11 . ILE Bxp B 37  ? 23.701 65.459 66.268  1 66.371  ? 45  B 1 c
ATOM 3105 H HD12 . ILE Bxp B 37  ? 22.835 64.417 65.431  1 66.374  ? 45  B 1 c
ATOM 3106 H HD13 . ILE Bxp B 37  ? 24.212 64.959 64.844  1 66.503  ? 45  B 1 c
ATOM 3107 N N    . VAL Bxp B 38  ? 26.026 60.56  67.464  1 41.451  ? 46  B 1 .
ATOM 3108 C CA   . VAL Bxp B 38  ? 26.314 59.259 66.91   1 41.927  ? 46  B 1 .
ATOM 3109 C C    . VAL Bxp B 38  ? 25.162 58.881 65.99   1 45.787  ? 46  B 1 .
ATOM 3110 O O    . VAL Bxp B 38  ? 24.017 58.832 66.439  1 47.949  ? 46  B 1 .
ATOM 3111 C CB   . VAL Bxp B 38  ? 26.456 58.253 68.063  1 46.555  ? 46  B 1 .
ATOM 3112 C CG1  . VAL Bxp B 38  ? 26.375 56.804 67.583  1 49.974  ? 46  B 1 .
ATOM 3113 C CG2  . VAL Bxp B 38  ? 27.739 58.49  68.838  1 47.027  ? 46  B 1 .
ATOM 3114 H H    . VAL Bxp B 38  ? 25.35  60.626 68.076  1 42.587  ? 46  B 1 c
ATOM 3115 H HA   . VAL Bxp B 38  ? 27.147 59.294 66.403  1 43.375  ? 46  B 1 c
ATOM 3116 H HB   . VAL Bxp B 38  ? 25.701 58.407 68.678  1 46.295  ? 46  B 1 c
ATOM 3117 H HG11 . VAL Bxp B 38  ? 26.823 56.72  66.724  1 48.876  ? 46  B 1 c
ATOM 3118 H HG12 . VAL Bxp B 38  ? 25.443 56.544 67.488  1 48.908  ? 46  B 1 c
ATOM 3119 H HG13 . VAL Bxp B 38  ? 26.807 56.222 68.23   1 48.901  ? 46  B 1 c
ATOM 3120 H HG21 . VAL Bxp B 38  ? 27.755 57.917 69.623  1 46.9    ? 46  B 1 c
ATOM 3121 H HG22 . VAL Bxp B 38  ? 27.785 59.42  69.116  1 46.866  ? 46  B 1 c
ATOM 3122 H HG23 . VAL Bxp B 38  ? 28.502 58.284 68.272  1 46.915  ? 46  B 1 c
ATOM 3123 N N    . ARG Bxp B 39  ? 25.473 58.612 64.713  1 42.096  ? 47  B 1 .
ATOM 3124 C CA   . ARG Bxp B 39  ? 24.452 58.304 63.734  1 39.705  ? 47  B 1 .
ATOM 3125 C C    . ARG Bxp B 39  ? 24.472 56.809 63.46   1 44.84   ? 47  B 1 .
ATOM 3126 O O    . ARG Bxp B 39  ? 25.376 56.307 62.783  1 48.075  ? 47  B 1 .
ATOM 3127 C CB   . ARG Bxp B 39  ? 24.681 59.122 62.468  1 40.013  ? 47  B 1 .
ATOM 3128 C CG   . ARG Bxp B 39  ? 24.701 60.62  62.714  1 44.039  ? 47  B 1 .
ATOM 3129 C CD   . ARG Bxp B 39  ? 24.544 61.44  61.433  1 50.291  ? 47  B 1 .
ATOM 3130 N NE   . ARG Bxp B 39  ? 25.628 61.295 60.449  1 54.801  ? 47  B 1 .
ATOM 3131 C CZ   . ARG Bxp B 39  ? 25.916 62.165 59.484  1 52.598  ? 47  B 1 .
ATOM 3132 N NH1  . ARG Bxp B 39  ? 25.169 63.224 59.281  1 54.053  ? 47  B 1 .
ATOM 3133 N NH2  . ARG Bxp B 39  ? 26.982 62.005 58.742  1 52.934  ? 47  B 1 .
ATOM 3134 H H    . ARG Bxp B 39  ? 26.348 58.62  64.45   1 42.388  ? 47  B 1 c
ATOM 3135 H HA   . ARG Bxp B 39  ? 23.569 58.551 64.109  1 41.276  ? 47  B 1 c
ATOM 3136 H HB3  . ARG Bxp B 39  ? 23.971 58.915 61.823  1 40.851  ? 47  B 1 c
ATOM 3137 H HB2  . ARG Bxp B 39  ? 25.535 58.854 62.068  1 40.946  ? 47  B 1 c
ATOM 3138 H HG3  . ARG Bxp B 39  ? 25.549 60.864 63.145  1 44.399  ? 47  B 1 c
ATOM 3139 H HG2  . ARG Bxp B 39  ? 23.974 60.854 63.331  1 44.439  ? 47  B 1 c
ATOM 3140 H HD3  . ARG Bxp B 39  ? 24.476 62.381 61.687  1 49.881  ? 47  B 1 c
ATOM 3141 H HD2  . ARG Bxp B 39  ? 23.698 61.19  61.01   1 49.841  ? 47  B 1 c
ATOM 3142 H HE   . ARG Bxp B 39  ? 26.121 60.581 60.5    1 53.096  ? 47  B 1 c
ATOM 3143 H HH11 . ARG Bxp B 39  ? 24.465 63.171 58.749  1 53.6    ? 47  B 1 c
ATOM 3144 H HH12 . ARG Bxp B 39  ? 25.374 63.986 59.678  1 53.598  ? 47  B 1 c
ATOM 3145 H HH21 . ARG Bxp B 39  ? 27.287 61.194 58.576  1 52.773  ? 47  B 1 c
ATOM 3146 H HH22 . ARG Bxp B 39  ? 27.394 62.713 58.407  1 52.793  ? 47  B 1 c
ATOM 3147 N N    . VAL Bxp B 40  ? 23.441 56.119 63.96   1 47.097  ? 48  B 1 .
ATOM 3148 C CA   . VAL Bxp B 40  ? 23.393 54.669 63.875  1 60.794  ? 48  B 1 .
ATOM 3149 C C    . VAL Bxp B 40  ? 22.658 54.248 62.606  1 63.359  ? 48  B 1 .
ATOM 3150 O O    . VAL Bxp B 40  ? 22.327 53.075 62.41   1 64.037  ? 48  B 1 .
ATOM 3151 C CB   . VAL Bxp B 40  ? 22.706 54.054 65.106  1 69.719  ? 48  B 1 .
ATOM 3152 C CG1  . VAL Bxp B 40  ? 23.393 54.447 66.406  1 76.169  ? 48  B 1 .
ATOM 3153 C CG2  . VAL Bxp B 40  ? 21.231 54.411 65.143  1 71.238  ? 48  B 1 .
ATOM 3154 H H    . VAL Bxp B 40  ? 22.753 56.564 64.364  1 49.432  ? 48  B 1 c
ATOM 3155 H HA   . VAL Bxp B 40  ? 24.307 54.33  63.831  1 59.614  ? 48  B 1 c
ATOM 3156 H HB   . VAL Bxp B 40  ? 22.775 53.075 65.017  1 69.392  ? 48  B 1 c
ATOM 3157 H HG11 . VAL Bxp B 40  ? 23.225 55.386 66.59   1 74.03   ? 48  B 1 c
ATOM 3158 H HG12 . VAL Bxp B 40  ? 24.35  54.299 66.325  1 74.167  ? 48  B 1 c
ATOM 3159 H HG13 . VAL Bxp B 40  ? 23.042 53.907 67.134  1 74.183  ? 48  B 1 c
ATOM 3160 H HG21 . VAL Bxp B 40  ? 20.917 54.398 66.063  1 70.731  ? 48  B 1 c
ATOM 3161 H HG22 . VAL Bxp B 40  ? 20.727 53.762 64.623  1 70.796  ? 48  B 1 c
ATOM 3162 H HG23 . VAL Bxp B 40  ? 21.097 55.297 64.77   1 70.339  ? 48  B 1 c
ATOM 3163 N N    . CYS Bxp B 41  ? 22.385 55.235 61.761  1 63.161  ? 49  B 1 .
ATOM 3164 C CA   . CYS Bxp B 41  ? 21.574 55.045 60.585  1 65.403  ? 49  B 1 .
ATOM 3165 C C    . CYS Bxp B 41  ? 22.297 55.622 59.373  1 83.959  ? 49  B 1 .
ATOM 3166 O O    . CYS Bxp B 41  ? 23.508 55.85  59.394  1 98.635  ? 49  B 1 .
ATOM 3167 C CB   . CYS Bxp B 41  ? 20.239 55.701 60.87   1 70.786  ? 49  B 1 .
ATOM 3168 S SG   . CYS Bxp B 41  ? 18.866 54.529 60.941  1 73.715  ? 49  B 1 .
ATOM 3169 H H    . CYS Bxp B 41  ? 22.722 56.068 61.92   1 63.466  ? 49  B 1 c
ATOM 3170 H HA   . CYS Bxp B 41  ? 21.446 54.073 60.443  1 68.953  ? 49  B 1 c
ATOM 3171 H HB3  . CYS Bxp B 41  ? 20.044 56.373 60.18   1 70.317  ? 49  B 1 c
ATOM 3172 H HB2  . CYS Bxp B 41  ? 20.297 56.165 61.731  1 69.809  ? 49  B 1 c
ATOM 3173 N N    . GLU Bxp B 42  ? 21.518 55.836 58.314  1 92.333  ? 50  B 1 .
ATOM 3174 C CA   . GLU Bxp B 42  ? 21.999 56.289 57.018  1 91.134  ? 50  B 1 .
ATOM 3175 C C    . GLU Bxp B 42  ? 22.315 57.762 57.234  1 70.611  ? 50  B 1 .
ATOM 3176 O O    . GLU Bxp B 42  ? 21.635 58.384 58.037  1 77.775  ? 50  B 1 .
ATOM 3177 C CB   . GLU Bxp B 42  ? 20.94  55.938 55.949  1 109.864 ? 50  B 1 .
ATOM 3178 C CG   . GLU Bxp B 42  ? 20.773 54.456 55.55   1 121.83  ? 50  B 1 .
ATOM 3179 C CD   . GLU Bxp B 42  ? 19.529 53.636 55.966  1 125.686 ? 50  B 1 .
ATOM 3180 O OE1  . GLU Bxp B 42  ? 18.407 54.08  55.64   1 133.251 ? 50  B 1 .
ATOM 3181 O OE2  . GLU Bxp B 42  ? 19.662 52.568 56.619  1 88.92   ? 50  B 1 .
ATOM 3182 H H    . GLU Bxp B 42  ? 20.624 55.666 58.396  1 89.672  ? 50  B 1 c
ATOM 3183 H HA   . GLU Bxp B 42  ? 22.84  55.808 56.811  1 89.942  ? 50  B 1 c
ATOM 3184 H HB3  . GLU Bxp B 42  ? 21.156 56.435 55.132  1 107.801 ? 50  B 1 c
ATOM 3185 H HB2  . GLU Bxp B 42  ? 20.069 56.258 56.262  1 107.687 ? 50  B 1 c
ATOM 3186 H HG3  . GLU Bxp B 42  ? 21.558 53.973 55.884  1 119.622 ? 50  B 1 c
ATOM 3187 H HG2  . GLU Bxp B 42  ? 20.833 54.408 54.572  1 119.799 ? 50  B 1 c
ATOM 3188 N N    . ALA Bxp B 43  ? 23.389 58.297 56.645  1 62.455  ? 51  B 1 .
ATOM 3189 C CA   . ALA Bxp B 43  ? 23.811 59.655 56.991  1 55.222  ? 51  B 1 .
ATOM 3190 C C    . ALA Bxp B 43  ? 23.36  60.595 55.88   1 52.94   ? 51  B 1 .
ATOM 3191 O O    . ALA Bxp B 43  ? 23.724 60.407 54.735  1 55.179  ? 51  B 1 .
ATOM 3192 C CB   . ALA Bxp B 43  ? 25.299 59.744 57.217  1 49.393  ? 51  B 1 .
ATOM 3193 H H    . ALA Bxp B 43  ? 23.861 57.822 56.022  1 62.653  ? 51  B 1 c
ATOM 3194 H HA   . ALA Bxp B 43  ? 23.345 59.922 57.83   1 55.161  ? 51  B 1 c
ATOM 3195 H HB3  . ALA Bxp B 43  ? 25.619 60.623 56.954  1 51.123  ? 51  B 1 c
ATOM 3196 H HB2  . ALA Bxp B 43  ? 25.752 59.067 56.688  1 51.203  ? 51  B 1 c
ATOM 3197 H HB1  . ALA Bxp B 43  ? 25.496 59.599 58.158  1 51.105  ? 51  B 1 c
ATOM 3198 N N    . THR Bxp B 44  ? 22.549 61.6   56.208  1 54.853  ? 52  B 1 .
ATOM 3199 C CA   . THR Bxp B 44  ? 21.918 62.402 55.172  1 49.129  ? 52  B 1 .
ATOM 3200 C C    . THR Bxp B 44  ? 22.091 63.908 55.403  1 49.631  ? 52  B 1 .
ATOM 3201 O O    . THR Bxp B 44  ? 21.195 64.689 55.056  1 55.259  ? 52  B 1 .
ATOM 3202 C CB   . THR Bxp B 44  ? 20.432 62.027 55.14   1 48.474  ? 52  B 1 .
ATOM 3203 O OG1  . THR Bxp B 44  ? 19.757 62.568 56.272  1 45.871  ? 52  B 1 .
ATOM 3204 C CG2  . THR Bxp B 44  ? 20.184 60.533 55.132  1 47.176  ? 52  B 1 .
ATOM 3205 H H    . THR Bxp B 44  ? 22.385 61.793 57.086  1 53.092  ? 52  B 1 c
ATOM 3206 H HA   . THR Bxp B 44  ? 22.316 62.171 54.306  1 50.216  ? 52  B 1 c
ATOM 3207 H HB   . THR Bxp B 44  ? 20.031 62.404 54.321  1 47.866  ? 52  B 1 c
ATOM 3208 H HG1  . THR Bxp B 44  ? 19.995 62.279 56.973  0 31.14   ? 52  B 1 c
ATOM 3209 H HG21 . THR Bxp B 44  ? 19.285 60.355 54.808  1 47.569  ? 52  B 1 c
ATOM 3210 H HG22 . THR Bxp B 44  ? 20.277 60.183 56.034  1 47.588  ? 52  B 1 c
ATOM 3211 H HG23 . THR Bxp B 44  ? 20.829 60.099 54.549  1 47.586  ? 52  B 1 c
ATOM 3212 N N    . TYR Bxp B 45  ? 23.211 64.353 55.985  1 46.907  ? 53  B 1 .
ATOM 3213 C CA   . TYR Bxp B 45  ? 23.36  65.788 56.127  1 54.302  ? 53  B 1 .
ATOM 3214 C C    . TYR Bxp B 45  ? 24.798 66.186 56.385  1 56.47   ? 53  B 1 .
ATOM 3215 O O    . TYR Bxp B 45  ? 25.482 65.603 57.205  1 64.569  ? 53  B 1 .
ATOM 3216 C CB   . TYR Bxp B 45  ? 22.461 66.38  57.21   1 57.346  ? 53  B 1 .
ATOM 3217 C CG   . TYR Bxp B 45  ? 22.667 65.813 58.597  1 59.313  ? 53  B 1 .
ATOM 3218 C CD1  . TYR Bxp B 45  ? 23.515 66.458 59.5    1 58.546  ? 53  B 1 .
ATOM 3219 C CD2  . TYR Bxp B 45  ? 21.99  64.663 59.005  1 57.271  ? 53  B 1 .
ATOM 3220 C CE1  . TYR Bxp B 45  ? 23.688 65.965 60.784  1 56.631  ? 53  B 1 .
ATOM 3221 C CE2  . TYR Bxp B 45  ? 22.152 64.165 60.284  1 58.927  ? 53  B 1 .
ATOM 3222 C CZ   . TYR Bxp B 45  ? 23.007 64.815 61.168  1 58.741  ? 53  B 1 .
ATOM 3223 O OH   . TYR Bxp B 45  ? 23.169 64.297 62.421  1 51.212  ? 53  B 1 .
ATOM 3224 H H    . TYR Bxp B 45  ? 23.864 63.785 56.282  1 49.204  ? 53  B 1 c
ATOM 3225 H HA   . TYR Bxp B 45  ? 23.089 66.198 55.262  1 53.788  ? 53  B 1 c
ATOM 3226 H HB3  . TYR Bxp B 45  ? 21.524 66.241 56.949  1 57.033  ? 53  B 1 c
ATOM 3227 H HB2  . TYR Bxp B 45  ? 22.615 67.35  57.241  1 57.073  ? 53  B 1 c
ATOM 3228 H HD1  . TYR Bxp B 45  ? 23.97  67.241 59.236  1 58.241  ? 53  B 1 c
ATOM 3229 H HD2  . TYR Bxp B 45  ? 21.406 64.226 58.405  1 58.101  ? 53  B 1 c
ATOM 3230 H HE1  . TYR Bxp B 45  ? 24.267 66.398 61.387  1 57.53   ? 53  B 1 c
ATOM 3231 H HE2  . TYR Bxp B 45  ? 21.702 63.383 60.551  1 58.485  ? 53  B 1 c
ATOM 3232 H HH   . TYR Bxp B 45  ? 23.755 64.806 62.779  0 42.55   ? 53  B 1 c
ATOM 3233 N N    . ASP Bxp B 46  ? 25.214 67.23  55.679  1 62.267  ? 54  B 1 .
ATOM 3234 C CA   . ASP Bxp B 46  ? 26.594 67.645 55.71   1 65.95   ? 54  B 1 .
ATOM 3235 C C    . ASP Bxp B 46  ? 26.889 68.192 57.107  1 68.869  ? 54  B 1 .
ATOM 3236 O O    . ASP Bxp B 46  ? 26.24  69.122 57.589  1 64.67   ? 54  B 1 .
ATOM 3237 C CB   . ASP Bxp B 46  ? 26.868 68.551 54.527  1 70.059  ? 54  B 1 .
ATOM 3238 C CG   . ASP Bxp B 46  ? 28.275 69.109 54.473  1 76.78   ? 54  B 1 .
ATOM 3239 O OD1  . ASP Bxp B 46  ? 29.227 68.337 54.717  1 93.166  ? 54  B 1 .
ATOM 3240 O OD2  . ASP Bxp B 46  ? 28.401 70.305 54.176  1 81.921  ? 54  B 1 .
ATOM 3241 H H    . ASP Bxp B 46  ? 24.62  67.701 55.169  1 61.62   ? 54  B 1 c
ATOM 3242 H HA   . ASP Bxp B 46  ? 27.149 66.845 55.57   1 66.511  ? 54  B 1 c
ATOM 3243 H HB3  . ASP Bxp B 46  ? 26.24  69.303 54.553  1 70.573  ? 54  B 1 c
ATOM 3244 H HB2  . ASP Bxp B 46  ? 26.705 68.05  53.701  1 70.57   ? 54  B 1 c
ATOM 3245 N N    . THR Bxp B 47  ? 27.877 67.561 57.748  1 65.034  ? 55  B 1 .
ATOM 3246 C CA   . THR Bxp B 47  ? 28.209 67.827 59.132  1 59.695  ? 55  B 1 .
ATOM 3247 C C    . THR Bxp B 47  ? 29.172 69.006 59.269  1 64.716  ? 55  B 1 .
ATOM 3248 O O    . THR Bxp B 47  ? 29.366 69.484 60.385  1 62.301  ? 55  B 1 .
ATOM 3249 C CB   . THR Bxp B 47  ? 28.807 66.579 59.778  1 51.59   ? 55  B 1 .
ATOM 3250 O OG1  . THR Bxp B 47  ? 30.166 66.539 59.361  1 55.424  ? 55  B 1 .
ATOM 3251 C CG2  . THR Bxp B 47  ? 28.048 65.311 59.443  1 46.802  ? 55  B 1 .
ATOM 3252 H H    . THR Bxp B 47  ? 28.376 66.945 57.293  1 64.325  ? 55  B 1 c
ATOM 3253 H HA   . THR Bxp B 47  ? 27.379 68.048 59.608  1 60.034  ? 55  B 1 c
ATOM 3254 H HB   . THR Bxp B 47  ? 28.782 66.696 60.757  1 52.592  ? 55  B 1 c
ATOM 3255 H HG1  . THR Bxp B 47  ? 30.176 66.161 58.472  0 30.28   ? 55  B 1 c
ATOM 3256 H HG21 . THR Bxp B 47  ? 28.184 64.656 60.148  1 48.253  ? 55  B 1 c
ATOM 3257 H HG22 . THR Bxp B 47  ? 28.371 64.951 58.6    1 48.326  ? 55  B 1 c
ATOM 3258 H HG23 . THR Bxp B 47  ? 27.1   65.511 59.367  1 48.441  ? 55  B 1 c
ATOM 3259 N N    . THR Bxp B 48  ? 29.773 69.477 58.166  1 74.017  ? 56  B 1 .
ATOM 3260 C CA   . THR Bxp B 48  ? 30.784 70.531 58.244  1 81.653  ? 56  B 1 .
ATOM 3261 C C    . THR Bxp B 48  ? 30.245 71.681 59.085  1 68.728  ? 56  B 1 .
ATOM 3262 O O    . THR Bxp B 48  ? 30.98  72.353 59.809  1 62.88   ? 56  B 1 .
ATOM 3263 C CB   . THR Bxp B 48  ? 31.223 71.026 56.864  1 80.148  ? 56  B 1 .
ATOM 3264 O OG1  . THR Bxp B 48  ? 30.016 71.231 56.146  1 67.408  ? 56  B 1 .
ATOM 3265 C CG2  . THR Bxp B 48  ? 32.105 70.032 56.125  1 90.307  ? 56  B 1 .
ATOM 3266 H H    . THR Bxp B 48  ? 29.556 69.135 57.347  1 73.129  ? 56  B 1 c
ATOM 3267 H HA   . THR Bxp B 48  ? 31.57  70.159 58.699  1 77.397  ? 56  B 1 c
ATOM 3268 H HB   . THR Bxp B 48  ? 31.702 71.884 56.952  1 79.385  ? 56  B 1 c
ATOM 3269 H HG1  . THR Bxp B 48  ? 29.753 70.478 55.953  0 80.8    ? 56  B 1 c
ATOM 3270 H HG21 . THR Bxp B 48  ? 32.861 70.499 55.732  1 87.116  ? 56  B 1 c
ATOM 3271 H HG22 . THR Bxp B 48  ? 31.59  69.601 55.421  1 86.999  ? 56  B 1 c
ATOM 3272 H HG23 . THR Bxp B 48  ? 32.429 69.358 56.746  1 87.033  ? 56  B 1 c
ATOM 3273 N N    . LEU Bxp B 49  ? 28.941 71.879 59.007  1 59.792  ? 57  B 1 .
ATOM 3274 C CA   . LEU Bxp B 49  ? 28.365 73.015 59.692  1 70.276  ? 57  B 1 .
ATOM 3275 C C    . LEU Bxp B 49  ? 28.232 72.713 61.184  1 72.686  ? 57  B 1 .
ATOM 3276 O O    . LEU Bxp B 49  ? 28.376 73.607 62.019  1 67.722  ? 57  B 1 .
ATOM 3277 C CB   . LEU Bxp B 49  ? 27.03  73.273 58.992  1 80.001  ? 57  B 1 .
ATOM 3278 C CG   . LEU Bxp B 49  ? 26.423 74.667 59.169  1 77.367  ? 57  B 1 .
ATOM 3279 C CD1  . LEU Bxp B 49  ? 27.468 75.766 59.246  1 77.818  ? 57  B 1 .
ATOM 3280 C CD2  . LEU Bxp B 49  ? 25.483 74.905 57.999  1 75.944  ? 57  B 1 .
ATOM 3281 H H    . LEU Bxp B 49  ? 28.405 71.326 58.515  1 64.481  ? 57  B 1 c
ATOM 3282 H HA   . LEU Bxp B 49  ? 28.963 73.793 59.569  1 70.209  ? 57  B 1 c
ATOM 3283 H HB3  . LEU Bxp B 49  ? 26.38  72.61  59.319  1 77.008  ? 57  B 1 c
ATOM 3284 H HB2  . LEU Bxp B 49  ? 27.153 73.111 58.028  1 76.837  ? 57  B 1 c
ATOM 3285 H HG   . LEU Bxp B 49  ? 25.893 74.676 60.007  1 77.661  ? 57  B 1 c
ATOM 3286 H HD11 . LEU Bxp B 49  ? 27.897 75.749 60.118  1 77.564  ? 57  B 1 c
ATOM 3287 H HD12 . LEU Bxp B 49  ? 27.04  76.629 59.116  1 77.629  ? 57  B 1 c
ATOM 3288 H HD13 . LEU Bxp B 49  ? 28.136 75.631 58.553  1 77.564  ? 57  B 1 c
ATOM 3289 H HD21 . LEU Bxp B 49  ? 24.877 74.15  57.91   1 76.383  ? 57  B 1 c
ATOM 3290 H HD22 . LEU Bxp B 49  ? 25.999 75.005 57.182  1 76.37   ? 57  B 1 c
ATOM 3291 H HD23 . LEU Bxp B 49  ? 24.968 75.715 58.156  1 76.368  ? 57  B 1 c
ATOM 3292 N N    . VAL Bxp B 50  ? 27.939 71.439 61.49   1 70.987  ? 58  B 1 .
ATOM 3293 C CA   . VAL Bxp B 50  ? 27.806 70.948 62.849  1 58.579  ? 58  B 1 .
ATOM 3294 C C    . VAL Bxp B 50  ? 29.161 70.987 63.538  1 62.764  ? 58  B 1 .
ATOM 3295 O O    . VAL Bxp B 50  ? 29.262 71.47  64.664  1 62.681  ? 58  B 1 .
ATOM 3296 C CB   . VAL Bxp B 50  ? 27.272 69.515 62.953  1 47.063  ? 58  B 1 .
ATOM 3297 C CG1  . VAL Bxp B 50  ? 27.148 69.151 64.415  1 49.231  ? 58  B 1 .
ATOM 3298 C CG2  . VAL Bxp B 50  ? 25.954 69.297 62.224  1 43.031  ? 58  B 1 .
ATOM 3299 H H    . VAL Bxp B 50  ? 27.805 70.848 60.806  1 67.69   ? 58  B 1 c
ATOM 3300 H HA   . VAL Bxp B 50  ? 27.201 71.542 63.329  1 59.405  ? 58  B 1 c
ATOM 3301 H HB   . VAL Bxp B 50  ? 27.945 68.92  62.548  1 48.792  ? 58  B 1 c
ATOM 3302 H HG11 . VAL Bxp B 50  ? 26.81  69.913 64.915  1 48.773  ? 58  B 1 c
ATOM 3303 H HG12 . VAL Bxp B 50  ? 28.019 68.9   64.76   1 48.729  ? 58  B 1 c
ATOM 3304 H HG13 . VAL Bxp B 50  ? 26.537 68.402 64.514  1 48.584  ? 58  B 1 c
ATOM 3305 H HG21 . VAL Bxp B 50  ? 25.233 69.21  62.869  1 44.719  ? 58  B 1 c
ATOM 3306 H HG22 . VAL Bxp B 50  ? 26.01  68.484 61.692  1 44.409  ? 58  B 1 c
ATOM 3307 H HG23 . VAL Bxp B 50  ? 25.774 70.051 61.639  1 44.822  ? 58  B 1 c
ATOM 3308 N N    . GLU Bxp B 51  ? 30.173 70.438 62.854  1 59.095  ? 59  B 1 .
ATOM 3309 C CA   . GLU Bxp B 51  ? 31.511 70.308 63.403  1 55.591  ? 59  B 1 .
ATOM 3310 C C    . GLU Bxp B 51  ? 32.072 71.675 63.747  1 59.725  ? 59  B 1 .
ATOM 3311 O O    . GLU Bxp B 51  ? 32.844 71.789 64.706  1 54.929  ? 59  B 1 .
ATOM 3312 C CB   . GLU Bxp B 51  ? 32.408 69.644 62.376  1 60.213  ? 59  B 1 .
ATOM 3313 C CG   . GLU Bxp B 51  ? 31.961 68.225 62.036  1 72.127  ? 59  B 1 .
ATOM 3314 C CD   . GLU Bxp B 51  ? 32.498 67.14  62.95   1 75.61   ? 59  B 1 .
ATOM 3315 O OE1  . GLU Bxp B 51  ? 33.281 67.485 63.885  1 73.369  ? 59  B 1 .
ATOM 3316 O OE2  . GLU Bxp B 51  ? 32.128 65.96  62.695  1 61.265  ? 59  B 1 .
ATOM 3317 H H    . GLU Bxp B 51  ? 30.019 70.141 62.004  1 59.356  ? 59  B 1 c
ATOM 3318 H HA   . GLU Bxp B 51  ? 31.468 69.755 64.223  1 57.834  ? 59  B 1 c
ATOM 3319 H HB3  . GLU Bxp B 51  ? 33.327 69.632 62.716  1 61.704  ? 59  B 1 c
ATOM 3320 H HB2  . GLU Bxp B 51  ? 32.401 70.183 61.557  1 61.62   ? 59  B 1 c
ATOM 3321 H HG3  . GLU Bxp B 51  ? 32.24  68.018 61.119  1 69.926  ? 59  B 1 c
ATOM 3322 H HG2  . GLU Bxp B 51  ? 30.982 68.183 62.056  1 69.704  ? 59  B 1 c
ATOM 3323 N N    . LYS Bxp B 52  ? 31.644 72.695 62.984  1 61.009  ? 60  B 1 .
ATOM 3324 C CA   . LYS Bxp B 52  ? 32.092 74.053 63.223  1 65.22   ? 60  B 1 .
ATOM 3325 C C    . LYS Bxp B 52  ? 31.567 74.601 64.544  1 63.477  ? 60  B 1 .
ATOM 3326 O O    . LYS Bxp B 52  ? 32.103 75.596 65.011  1 73.366  ? 60  B 1 .
ATOM 3327 C CB   . LYS Bxp B 52  ? 31.635 75.051 62.161  1 77.713  ? 60  B 1 .
ATOM 3328 C CG   . LYS Bxp B 52  ? 32.343 76.41  62.256  1 87.114  ? 60  B 1 .
ATOM 3329 C CD   . LYS Bxp B 52  ? 31.531 77.559 61.684  1 86.447  ? 60  B 1 .
ATOM 3330 C CE   . LYS Bxp B 52  ? 31.387 77.423 60.193  1 90.035  ? 60  B 1 .
ATOM 3331 N NZ   . LYS Bxp B 52  ? 30.548 78.47  59.608  1 88.835  ? 60  B 1 .
ATOM 3332 H H    . LYS Bxp B 52  ? 31.075 72.535 62.288  1 61.66   ? 60  B 1 c
ATOM 3333 H HA   . LYS Bxp B 52  ? 33.082 74.052 63.253  1 66.049  ? 60  B 1 c
ATOM 3334 H HB3  . LYS Bxp B 52  ? 30.668 75.192 62.247  1 76.664  ? 60  B 1 c
ATOM 3335 H HB2  . LYS Bxp B 52  ? 31.805 74.67  61.273  1 76.636  ? 60  B 1 c
ATOM 3336 H HG3  . LYS Bxp B 52  ? 33.195 76.351 61.771  1 84.671  ? 60  B 1 c
ATOM 3337 H HG2  . LYS Bxp B 52  ? 32.547 76.602 63.193  1 84.394  ? 60  B 1 c
ATOM 3338 H HD3  . LYS Bxp B 52  ? 31.978 78.409 61.89   1 87.396  ? 60  B 1 c
ATOM 3339 H HD2  . LYS Bxp B 52  ? 30.64  77.567 62.096  1 87.336  ? 60  B 1 c
ATOM 3340 H HE3  . LYS Bxp B 52  ? 30.995 76.557 59.981  1 88.865  ? 60  B 1 c
ATOM 3341 H HE2  . LYS Bxp B 52  ? 32.269 77.461 59.781  1 88.911  ? 60  B 1 c
ATOM 3342 H HZ1  . LYS Bxp B 52  ? 30.983 79.264 59.641  1 89.199  ? 60  B 1 c
ATOM 3343 H HZ2  . LYS Bxp B 52  ? 29.772 78.536 60.071  1 89.187  ? 60  B 1 c
ATOM 3344 H HZ3  . LYS Bxp B 52  ? 30.363 78.267 58.745  1 89.199  ? 60  B 1 c
ATOM 3345 N N    . GLU Bxp B 53  ? 30.537 73.979 65.136  1 65.203  ? 61  B 1 .
ATOM 3346 C CA   . GLU Bxp B 53  ? 30.062 74.381 66.454  1 70.414  ? 61  B 1 .
ATOM 3347 C C    . GLU Bxp B 53  ? 30.636 73.486 67.552  1 59.912  ? 61  B 1 .
ATOM 3348 O O    . GLU Bxp B 53  ? 30.082 73.431 68.642  1 55.025  ? 61  B 1 .
ATOM 3349 C CB   . GLU Bxp B 53  ? 28.534 74.347 66.532  1 79.283  ? 61  B 1 .
ATOM 3350 C CG   . GLU Bxp B 53  ? 27.851 75.184 65.457  1 82.553  ? 61  B 1 .
ATOM 3351 C CD   . GLU Bxp B 53  ? 28.222 76.653 65.513  1 84.789  ? 61  B 1 .
ATOM 3352 O OE1  . GLU Bxp B 53  ? 28.931 77.079 66.446  1 86.327  ? 61  B 1 .
ATOM 3353 O OE2  . GLU Bxp B 53  ? 27.786 77.379 64.603  1 80.249  ? 61  B 1 .
ATOM 3354 H H    . GLU Bxp B 53  ? 30.105 73.302 64.701  1 65.82   ? 61  B 1 c
ATOM 3355 H HA   . GLU Bxp B 53  ? 30.367 75.305 66.626  1 68.97   ? 61  B 1 c
ATOM 3356 H HB3  . GLU Bxp B 53  ? 28.253 74.675 67.411  1 77.755  ? 61  B 1 c
ATOM 3357 H HB2  . GLU Bxp B 53  ? 28.235 73.417 66.45   1 77.757  ? 61  B 1 c
ATOM 3358 H HG3  . GLU Bxp B 53  ? 26.882 75.105 65.56   1 81.985  ? 61  B 1 c
ATOM 3359 H HG2  . GLU Bxp B 53  ? 28.089 74.832 64.573  1 82.145  ? 61  B 1 c
ATOM 3360 N N    . GLY Bxp B 54  ? 31.715 72.755 67.24   1 63.222  ? 62  B 1 .
ATOM 3361 C CA   . GLY Bxp B 54  ? 32.419 71.923 68.205  1 61.46   ? 62  B 1 .
ATOM 3362 C C    . GLY Bxp B 54  ? 31.701 70.606 68.5    1 63.257  ? 62  B 1 .
ATOM 3363 O O    . GLY Bxp B 54  ? 32.067 69.932 69.471  1 56.113  ? 62  B 1 .
ATOM 3364 H H    . GLY Bxp B 54  ? 32.03  72.776 66.384  1 62.094  ? 62  B 1 c
ATOM 3365 H HA3  . GLY Bxp B 54  ? 32.524 72.43  69.044  1 62.222  ? 62  B 1 c
ATOM 3366 H HA2  . GLY Bxp B 54  ? 33.321 71.73  67.857  1 62.264  ? 62  B 1 c
ATOM 3367 N N    . ILE Bxp B 55  ? 30.717 70.242 67.649  1 59.105  ? 63  B 1 .
ATOM 3368 C CA   . ILE Bxp B 55  ? 29.909 69.046 67.855  1 56.241  ? 63  B 1 .
ATOM 3369 C C    . ILE Bxp B 55  ? 30.312 67.935 66.876  1 50.863  ? 63  B 1 .
ATOM 3370 O O    . ILE Bxp B 55  ? 29.72  67.786 65.821  1 53.678  ? 63  B 1 .
ATOM 3371 C CB   . ILE Bxp B 55  ? 28.408 69.376 67.741  1 51.503  ? 63  B 1 .
ATOM 3372 C CG1  . ILE Bxp B 55  ? 27.984 70.469 68.674  1 48.185  ? 63  B 1 .
ATOM 3373 C CG2  . ILE Bxp B 55  ? 27.532 68.134 67.952  1 51.804  ? 63  B 1 .
ATOM 3374 C CD1  . ILE Bxp B 55  ? 26.47  70.62  68.728  1 50.847  ? 63  B 1 .
ATOM 3375 H H    . ILE Bxp B 55  ? 30.555 70.753 66.91   1 59.445  ? 63  B 1 c
ATOM 3376 H HA   . ILE Bxp B 55  ? 30.072 68.722 68.762  1 54.881  ? 63  B 1 c
ATOM 3377 H HB   . ILE Bxp B 55  ? 28.25  69.697 66.833  1 51.713  ? 63  B 1 c
ATOM 3378 H HG12 . ILE Bxp B 55  ? 28.38  71.315 68.38   1 49.578  ? 63  B 1 c
ATOM 3379 H HG13 . ILE Bxp B 55  ? 28.319 70.271 69.573  1 49.542  ? 63  B 1 c
ATOM 3380 H HG21 . ILE Bxp B 55  ? 26.707 68.225 67.445  1 51.699  ? 63  B 1 c
ATOM 3381 H HG22 . ILE Bxp B 55  ? 27.32  68.04  68.896  1 51.682  ? 63  B 1 c
ATOM 3382 H HG23 . ILE Bxp B 55  ? 28.004 67.341 67.652  1 51.735  ? 63  B 1 c
ATOM 3383 H HD11 . ILE Bxp B 55  ? 26.088 70.459 67.844  1 50.108  ? 63  B 1 c
ATOM 3384 H HD12 . ILE Bxp B 55  ? 26.25  71.527 69.013  1 50.084  ? 63  B 1 c
ATOM 3385 H HD13 . ILE Bxp B 55  ? 26.095 69.984 69.365  1 50.182  ? 63  B 1 c
ATOM 3386 N N    . HIS Bxp B 56  ? 31.242 67.068 67.272  1 50.133  ? 64  B 1 .
ATOM 3387 C CA   . HIS Bxp B 56  ? 31.73  66.042 66.364  1 54.743  ? 64  B 1 .
ATOM 3388 C C    . HIS Bxp B 56  ? 30.635 65.025 66.099  1 50.366  ? 64  B 1 .
ATOM 3389 O O    . HIS Bxp B 56  ? 29.918 64.651 67.026  1 51.092  ? 64  B 1 .
ATOM 3390 C CB   . HIS Bxp B 56  ? 32.959 65.305 66.921  1 62.915  ? 64  B 1 .
ATOM 3391 C CG   . HIS Bxp B 56  ? 33.533 64.288 65.975  1 60.492  ? 64  B 1 .
ATOM 3392 N ND1  . HIS Bxp B 56  ? 33.654 62.953 66.297  1 63.17   ? 64  B 1 .
ATOM 3393 C CD2  . HIS Bxp B 56  ? 34.06  64.412 64.742  1 53.751  ? 64  B 1 .
ATOM 3394 C CE1  . HIS Bxp B 56  ? 34.223 62.301 65.285  1 62.917  ? 64  B 1 .
ATOM 3395 N NE2  . HIS Bxp B 56  ? 34.473 63.169 64.333  1 53.521  ? 64  B 1 .
ATOM 3396 H H    . HIS Bxp B 56  ? 31.58  67.114 68.119  1 51.437  ? 64  B 1 c
ATOM 3397 H HA   . HIS Bxp B 56  ? 31.969 66.472 65.513  1 54.4    ? 64  B 1 c
ATOM 3398 H HB3  . HIS Bxp B 56  ? 32.705 64.855 67.756  1 60.423  ? 64  B 1 c
ATOM 3399 H HB2  . HIS Bxp B 56  ? 33.652 65.967 67.137  1 60.423  ? 64  B 1 c
ATOM 3400 H HD1  . HIS Bxp B 56  ? 33.401 62.739 67.216  0 44.67   ? 64  B 1 c
ATOM 3401 H HD2  . HIS Bxp B 56  ? 34.136 65.199 64.241  1 55.535  ? 64  B 1 c
ATOM 3402 H HE1  . HIS Bxp B 56  ? 34.402 61.377 65.254  1 60.513  ? 64  B 1 c
ATOM 3403 H HE2  . HIS Bxp B 56  ? 34.946 63.01  63.749  0 44.67   ? 64  B 1 c
ATOM 3404 N N    . VAL Bxp B 57  ? 30.571 64.535 64.853  1 46.427  ? 65  B 1 .
ATOM 3405 C CA   . VAL Bxp B 57  ? 29.568 63.552 64.472  1 41.644  ? 65  B 1 .
ATOM 3406 C C    . VAL Bxp B 57  ? 30.241 62.216 64.134  1 43.274  ? 65  B 1 .
ATOM 3407 O O    . VAL Bxp B 57  ? 31.077 62.122 63.239  1 44.11   ? 65  B 1 .
ATOM 3408 C CB   . VAL Bxp B 57  ? 28.732 64.069 63.286  1 37.273  ? 65  B 1 .
ATOM 3409 C CG1  . VAL Bxp B 57  ? 27.637 63.089 62.946  1 38.938  ? 65  B 1 .
ATOM 3410 C CG2  . VAL Bxp B 57  ? 28.152 65.466 63.489  1 32.969  ? 65  B 1 .
ATOM 3411 H H    . VAL Bxp B 57  ? 31.17  64.821 64.224  1 46.31   ? 65  B 1 c
ATOM 3412 H HA   . VAL Bxp B 57  ? 28.97  63.415 65.228  1 42.19   ? 65  B 1 c
ATOM 3413 H HB   . VAL Bxp B 57  ? 29.336 64.114 62.508  1 37.493  ? 65  B 1 c
ATOM 3414 H HG11 . VAL Bxp B 57  ? 27.251 62.734 63.764  1 38.604  ? 65  B 1 c
ATOM 3415 H HG12 . VAL Bxp B 57  ? 28.007 62.359 62.421  1 38.483  ? 65  B 1 c
ATOM 3416 H HG13 . VAL Bxp B 57  ? 26.945 63.536 62.43   1 38.412  ? 65  B 1 c
ATOM 3417 H HG21 . VAL Bxp B 57  ? 27.185 65.439 63.394  1 34.479  ? 65  B 1 c
ATOM 3418 H HG22 . VAL Bxp B 57  ? 28.524 66.07  62.826  1 34.42   ? 65  B 1 c
ATOM 3419 H HG23 . VAL Bxp B 57  ? 28.379 65.788 64.377  1 34.539  ? 65  B 1 c
ATOM 3420 N N    . LEU Bxp B 58  ? 29.85  61.163 64.85   1 46.883  ? 66  B 1 .
ATOM 3421 C CA   . LEU Bxp B 58  ? 30.324 59.815 64.578  1 52.52   ? 66  B 1 .
ATOM 3422 C C    . LEU Bxp B 58  ? 29.289 59.038 63.757  1 56.589  ? 66  B 1 .
ATOM 3423 O O    . LEU Bxp B 58  ? 28.092 59.13  64.025  1 55.058  ? 66  B 1 .
ATOM 3424 C CB   . LEU Bxp B 58  ? 30.542 59.128 65.922  1 53.11   ? 66  B 1 .
ATOM 3425 C CG   . LEU Bxp B 58  ? 31.662 59.673 66.806  1 48.747  ? 66  B 1 .
ATOM 3426 C CD1  . LEU Bxp B 58  ? 31.426 59.283 68.257  1 49.815  ? 66  B 1 .
ATOM 3427 C CD2  . LEU Bxp B 58  ? 32.947 59.101 66.311  1 52.331  ? 66  B 1 .
ATOM 3428 H H    . LEU Bxp B 58  ? 29.26  61.288 65.537  1 47.176  ? 66  B 1 c
ATOM 3429 H HA   . LEU Bxp B 58  ? 31.18  59.861 64.082  1 52.054  ? 66  B 1 c
ATOM 3430 H HB3  . LEU Bxp B 58  ? 30.717 58.174 65.752  1 51.954  ? 66  B 1 c
ATOM 3431 H HB2  . LEU Bxp B 58  ? 29.699 59.177 66.428  1 51.859  ? 66  B 1 c
ATOM 3432 H HG   . LEU Bxp B 58  ? 31.688 60.661 66.728  1 50.368  ? 66  B 1 c
ATOM 3433 H HD11 . LEU Bxp B 58  ? 30.867 59.952 68.686  1 49.465  ? 66  B 1 c
ATOM 3434 H HD12 . LEU Bxp B 58  ? 32.277 59.227 68.723  1 49.528  ? 66  B 1 c
ATOM 3435 H HD13 . LEU Bxp B 58  ? 30.981 58.42  68.294  1 49.549  ? 66  B 1 c
ATOM 3436 H HD21 . LEU Bxp B 58  ? 33.094 59.38  65.392  1 51.29   ? 66  B 1 c
ATOM 3437 H HD22 . LEU Bxp B 58  ? 32.91  58.131 66.351  1 51.254  ? 66  B 1 c
ATOM 3438 H HD23 . LEU Bxp B 58  ? 33.679 59.419 66.866  1 51.233  ? 66  B 1 c
ATOM 3439 N N    . ASP Bxp B 59  ? 29.741 58.223 62.789  1 50.246  ? 67  B 1 .
ATOM 3440 C CA   . ASP Bxp B 59  ? 28.804 57.395 62.054  1 46.292  ? 67  B 1 .
ATOM 3441 C C    . ASP Bxp B 59  ? 29.078 55.921 62.328  1 48.74   ? 67  B 1 .
ATOM 3442 O O    . ASP Bxp B 59  ? 29.875 55.282 61.65   1 49.02   ? 67  B 1 .
ATOM 3443 C CB   . ASP Bxp B 59  ? 28.83  57.702 60.572  1 48.81   ? 67  B 1 .
ATOM 3444 C CG   . ASP Bxp B 59  ? 28.436 59.113 60.177  1 49.235  ? 67  B 1 .
ATOM 3445 O OD1  . ASP Bxp B 59  ? 27.506 59.668 60.757  1 57.286  ? 67  B 1 .
ATOM 3446 O OD2  . ASP Bxp B 59  ? 28.997 59.613 59.215  1 49.504  ? 67  B 1 .
ATOM 3447 H H    . ASP Bxp B 59  ? 30.632 58.184 62.59   1 50.771  ? 67  B 1 c
ATOM 3448 H HA   . ASP Bxp B 59  ? 27.895 57.6   62.368  1 48.147  ? 67  B 1 c
ATOM 3449 H HB3  . ASP Bxp B 59  ? 28.225 57.081 60.116  1 48.322  ? 67  B 1 c
ATOM 3450 H HB2  . ASP Bxp B 59  ? 29.736 57.537 60.237  1 48.328  ? 67  B 1 c
ATOM 3451 N N    . TRP Bxp B 60  ? 28.391 55.359 63.317  1 53.377  ? 68  B 1 .
ATOM 3452 C CA   . TRP Bxp B 60  ? 28.531 53.945 63.604  1 56.647  ? 68  B 1 .
ATOM 3453 C C    . TRP Bxp B 60  ? 27.219 53.26  63.262  1 62.338  ? 68  B 1 .
ATOM 3454 O O    . TRP Bxp B 60  ? 26.422 52.95  64.132  1 67.498  ? 68  B 1 .
ATOM 3455 C CB   . TRP Bxp B 60  ? 28.925 53.716 65.069  1 61.447  ? 68  B 1 .
ATOM 3456 C CG   . TRP Bxp B 60  ? 30.181 54.424 65.507  1 57.24   ? 68  B 1 .
ATOM 3457 C CD1  . TRP Bxp B 60  ? 31.249 54.763 64.738  1 51.851  ? 68  B 1 .
ATOM 3458 C CD2  . TRP Bxp B 60  ? 30.51  54.849 66.847  1 59.893  ? 68  B 1 .
ATOM 3459 N NE1  . TRP Bxp B 60  ? 32.202 55.392 65.487  1 53.403  ? 68  B 1 .
ATOM 3460 C CE2  . TRP Bxp B 60  ? 31.783 55.451 66.785  1 53.631  ? 68  B 1 .
ATOM 3461 C CE3  . TRP Bxp B 60  ? 29.864 54.768 68.085  1 58.74   ? 68  B 1 .
ATOM 3462 C CZ2  . TRP Bxp B 60  ? 32.416 55.963 67.906  1 50.443  ? 68  B 1 .
ATOM 3463 C CZ3  . TRP Bxp B 60  ? 30.508 55.259 69.198  1 55.084  ? 68  B 1 .
ATOM 3464 C CH2  . TRP Bxp B 60  ? 31.765 55.839 69.11   1 53.053  ? 68  B 1 .
ATOM 3465 H H    . TRP Bxp B 60  ? 27.824 55.863 63.827  1 52.848  ? 68  B 1 c
ATOM 3466 H HA   . TRP Bxp B 60  ? 29.247 53.568 63.026  1 57.841  ? 68  B 1 c
ATOM 3467 H HB3  . TRP Bxp B 60  ? 29.039 52.753 65.213  1 59.393  ? 68  B 1 c
ATOM 3468 H HB2  . TRP Bxp B 60  ? 28.184 54.013 65.639  1 59.397  ? 68  B 1 c
ATOM 3469 H HD1  . TRP Bxp B 60  ? 31.313 54.623 63.807  1 53.456  ? 68  B 1 c
ATOM 3470 H HE1  . TRP Bxp B 60  ? 32.963 55.695 65.186  1 53.149  ? 68  B 1 c
ATOM 3471 H HE3  . TRP Bxp B 60  ? 29.016 54.364 68.158  1 57.995  ? 68  B 1 c
ATOM 3472 H HZ2  . TRP Bxp B 60  ? 33.267 56.347 67.847  1 51.872  ? 68  B 1 c
ATOM 3473 H HZ3  . TRP Bxp B 60  ? 30.076 55.221 70.031  1 55.392  ? 68  B 1 c
ATOM 3474 H HH2  . TRP Bxp B 60  ? 32.164 56.192 69.885  1 52.963  ? 68  B 1 c
ATOM 3475 N N    . PRO Bxp B 61  ? 26.904 53.074 61.971  1 78.428  ? 69  B 1 .
ATOM 3476 C CA   . PRO Bxp B 61  ? 25.674 52.421 61.577  1 78.039  ? 69  B 1 .
ATOM 3477 C C    . PRO Bxp B 61  ? 25.681 50.957 61.942  1 75.129  ? 69  B 1 .
ATOM 3478 O O    . PRO Bxp B 61  ? 26.736 50.333 61.912  1 69.514  ? 69  B 1 .
ATOM 3479 C CB   . PRO Bxp B 61  ? 25.635 52.603 60.07   1 85.139  ? 69  B 1 .
ATOM 3480 C CG   . PRO Bxp B 61  ? 26.476 53.855 59.912  1 104.303 ? 69  B 1 .
ATOM 3481 C CD   . PRO Bxp B 61  ? 27.62  53.598 60.811  1 99.276  ? 69  B 1 .
ATOM 3482 H HA   . PRO Bxp B 61  ? 24.913 52.869 61.994  1 78.618  ? 69  B 1 c
ATOM 3483 H HB3  . PRO Bxp B 61  ? 24.722 52.744 59.752  1 87.388  ? 69  B 1 c
ATOM 3484 H HB2  . PRO Bxp B 61  ? 26.037 51.842 59.608  1 87.328  ? 69  B 1 c
ATOM 3485 H HG3  . PRO Bxp B 61  ? 25.984 54.654 60.187  1 98.534  ? 69  B 1 c
ATOM 3486 H HG2  . PRO Bxp B 61  ? 26.776 53.959 58.993  1 98.509  ? 69  B 1 c
ATOM 3487 H HD3  . PRO Bxp B 61  ? 28.236 52.936 60.442  1 94.709  ? 69  B 1 c
ATOM 3488 H HD2  . PRO Bxp B 61  ? 28.094 54.411 61.019  1 93.416  ? 69  B 1 c
ATOM 3489 N N    . PHE Bxp B 62  ? 24.493 50.454 62.289  1 82.017  ? 70  B 1 .
ATOM 3490 C CA   . PHE Bxp B 62  ? 24.287 49.027 62.415  1 86.216  ? 70  B 1 .
ATOM 3491 C C    . PHE Bxp B 62  ? 22.852 48.666 62.036  1 85.681  ? 70  B 1 .
ATOM 3492 O O    . PHE Bxp B 62  ? 21.896 49.353 62.4    1 70.577  ? 70  B 1 .
ATOM 3493 C CB   . PHE Bxp B 62  ? 24.679 48.596 63.825  1 79.181  ? 70  B 1 .
ATOM 3494 C CG   . PHE Bxp B 62  ? 23.804 49.184 64.915  1 71.047  ? 70  B 1 .
ATOM 3495 C CD1  . PHE Bxp B 62  ? 22.611 48.573 65.266  1 75.631  ? 70  B 1 .
ATOM 3496 C CD2  . PHE Bxp B 62  ? 24.192 50.32  65.599  1 71.953  ? 70  B 1 .
ATOM 3497 C CE1  . PHE Bxp B 62  ? 21.821 49.08  66.278  1 76.509  ? 70  B 1 .
ATOM 3498 C CE2  . PHE Bxp B 62  ? 23.398 50.827 66.603  1 79.037  ? 70  B 1 .
ATOM 3499 C CZ   . PHE Bxp B 62  ? 22.227 50.191 66.955  1 79.203  ? 70  B 1 .
ATOM 3500 H H    . PHE Bxp B 62  ? 23.793 51.018 62.456  1 81.215  ? 70  B 1 c
ATOM 3501 H HA   . PHE Bxp B 62  ? 24.898 48.573 61.775  1 83.948  ? 70  B 1 c
ATOM 3502 H HB3  . PHE Bxp B 62  ? 25.609 48.864 63.985  1 78.589  ? 70  B 1 c
ATOM 3503 H HB2  . PHE Bxp B 62  ? 24.633 47.616 63.874  1 78.805  ? 70  B 1 c
ATOM 3504 H HD1  . PHE Bxp B 62  ? 22.342 47.789 64.815  1 74.814  ? 70  B 1 c
ATOM 3505 H HD2  . PHE Bxp B 62  ? 25.005 50.747 65.378  1 73.457  ? 70  B 1 c
ATOM 3506 H HE1  . PHE Bxp B 62  ? 21.012 48.651 66.508  1 76.888  ? 70  B 1 c
ATOM 3507 H HE2  . PHE Bxp B 62  ? 23.67  51.602 67.068  1 77.278  ? 70  B 1 c
ATOM 3508 H HZ   . PHE Bxp B 62  ? 21.678 50.557 67.632  1 78.415  ? 70  B 1 c
ATOM 3509 N N    . ASP Bxp B 63  ? 22.757 47.53  61.341  1 93.808  ? 71  B 1 .
ATOM 3510 C CA   . ASP Bxp B 63  ? 21.549 47.056 60.699  1 101.328 ? 71  B 1 .
ATOM 3511 C C    . ASP Bxp B 63  ? 20.426 46.851 61.72   1 107.387 ? 71  B 1 .
ATOM 3512 O O    . ASP Bxp B 63  ? 20.648 46.263 62.778  1 84.216  ? 71  B 1 .
ATOM 3513 C CB   . ASP Bxp B 63  ? 21.878 45.764 59.972  1 109.102 ? 71  B 1 .
ATOM 3514 C CG   . ASP Bxp B 63  ? 20.926 45.402 58.851  1 104.608 ? 71  B 1 .
ATOM 3515 O OD1  . ASP Bxp B 63  ? 20.032 46.217 58.578  1 121.309 ? 71  B 1 .
ATOM 3516 O OD2  . ASP Bxp B 63  ? 21.117 44.327 58.248  1 98.113  ? 71  B 1 .
ATOM 3517 H H    . ASP Bxp B 63  ? 23.506 47.01  61.275  1 93.503  ? 71  B 1 c
ATOM 3518 H HA   . ASP Bxp B 63  ? 21.266 47.73  60.042  1 102.503 ? 71  B 1 c
ATOM 3519 H HB3  . ASP Bxp B 63  ? 21.893 45.027 60.614  1 106.147 ? 71  B 1 c
ATOM 3520 H HB2  . ASP Bxp B 63  ? 22.774 45.838 59.582  1 106.046 ? 71  B 1 c
ATOM 3521 N N    . ASP Bxp B 64  ? 19.207 47.301 61.37   1 115.87  ? 72  B 1 .
ATOM 3522 C CA   . ASP Bxp B 64  ? 18.041 47.192 62.24   1 106.83  ? 72  B 1 .
ATOM 3523 C C    . ASP Bxp B 64  ? 17.729 45.72  62.489  1 110.906 ? 72  B 1 .
ATOM 3524 O O    . ASP Bxp B 64  ? 17.952 44.882 61.609  1 118.8   ? 72  B 1 .
ATOM 3525 C CB   . ASP Bxp B 64  ? 16.808 47.882 61.674  1 101.428 ? 72  B 1 .
ATOM 3526 C CG   . ASP Bxp B 64  ? 15.58  47.865 62.581  1 102.798 ? 72  B 1 .
ATOM 3527 O OD1  . ASP Bxp B 64  ? 15.181 46.755 63.009  1 100.64  ? 72  B 1 .
ATOM 3528 O OD2  . ASP Bxp B 64  ? 15.041 48.963 62.875  1 88.68   ? 72  B 1 .
ATOM 3529 H H    . ASP Bxp B 64  ? 19.101 47.692 60.551  1 111.497 ? 72  B 1 c
ATOM 3530 H HA   . ASP Bxp B 64  ? 18.258 47.614 63.101  1 108.207 ? 72  B 1 c
ATOM 3531 H HB3  . ASP Bxp B 64  ? 16.567 47.447 60.829  1 102.94  ? 72  B 1 c
ATOM 3532 H HB2  . ASP Bxp B 64  ? 17.03  48.815 61.477  1 102.888 ? 72  B 1 c
ATOM 3533 N N    . GLY Bxp B 65  ? 17.194 45.45  63.692  1 102.936 ? 73  B 1 .
ATOM 3534 C CA   . GLY Bxp B 65  ? 16.988 44.099 64.189  1 103.817 ? 73  B 1 .
ATOM 3535 C C    . GLY Bxp B 65  ? 18.254 43.246 64.069  1 103.986 ? 73  B 1 .
ATOM 3536 O O    . GLY Bxp B 65  ? 18.189 42.027 63.975  1 101.433 ? 73  B 1 .
ATOM 3537 H H    . GLY Bxp B 65  ? 16.952 46.148 64.231  1 105.009 ? 73  B 1 c
ATOM 3538 H HA3  . GLY Bxp B 65  ? 16.258 43.677 63.678  1 103.644 ? 73  B 1 c
ATOM 3539 H HA2  . GLY Bxp B 65  ? 16.71  44.143 65.134  1 103.644 ? 73  B 1 c
ATOM 3540 N N    . ALA Bxp B 66  ? 19.419 43.898 64.031  1 104.967 ? 74  B 1 .
ATOM 3541 C CA   . ALA Bxp B 66  ? 20.688 43.2   63.942  1 100.292 ? 74  B 1 .
ATOM 3542 C C    . ALA Bxp B 66  ? 21.629 43.809 64.977  1 90.955  ? 74  B 1 .
ATOM 3543 O O    . ALA Bxp B 66  ? 21.81  45.022 65.026  1 76.931  ? 74  B 1 .
ATOM 3544 C CB   . ALA Bxp B 66  ? 21.231 43.268 62.532  1 103.168 ? 74  B 1 .
ATOM 3545 H H    . ALA Bxp B 66  ? 19.428 44.809 64.09   1 103.613 ? 74  B 1 c
ATOM 3546 H HA   . ALA Bxp B 66  ? 20.536 42.248 64.178  1 99.952  ? 74  B 1 c
ATOM 3547 H HB3  . ALA Bxp B 66  ? 21.426 42.37  62.214  1 102.282 ? 74  B 1 c
ATOM 3548 H HB2  . ALA Bxp B 66  ? 22.046 43.796 62.519  1 102.247 ? 74  B 1 c
ATOM 3549 H HB1  . ALA Bxp B 66  ? 20.572 43.678 61.947  1 102.237 ? 74  B 1 c
ATOM 3550 N N    . PRO Bxp B 67  ? 22.16  43.004 65.915  1 89.224  ? 75  B 1 .
ATOM 3551 C CA   . PRO Bxp B 67  ? 22.943 43.547 67.011  1 97.671  ? 75  B 1 .
ATOM 3552 C C    . PRO Bxp B 67  ? 24.05  44.48  66.539  1 94.218  ? 75  B 1 .
ATOM 3553 O O    . PRO Bxp B 67  ? 24.741 44.186 65.57   1 107.341 ? 75  B 1 .
ATOM 3554 C CB   . PRO Bxp B 67  ? 23.479 42.294 67.708  1 108.112 ? 75  B 1 .
ATOM 3555 C CG   . PRO Bxp B 67  ? 22.365 41.294 67.465  1 114.346 ? 75  B 1 .
ATOM 3556 C CD   . PRO Bxp B 67  ? 21.952 41.553 66.036  1 106.36  ? 75  B 1 .
ATOM 3557 H HA   . PRO Bxp B 67  ? 22.347 44.027 67.621  1 96.969  ? 75  B 1 c
ATOM 3558 H HB3  . PRO Bxp B 67  ? 23.614 42.451 68.661  1 106.521 ? 75  B 1 c
ATOM 3559 H HB2  . PRO Bxp B 67  ? 24.317 41.995 67.303  1 106.862 ? 75  B 1 c
ATOM 3560 H HG3  . PRO Bxp B 67  ? 21.617 41.446 68.076  1 111.07  ? 75  B 1 c
ATOM 3561 H HG2  . PRO Bxp B 67  ? 22.686 40.377 67.573  1 111.07  ? 75  B 1 c
ATOM 3562 H HD3  . PRO Bxp B 67  ? 22.514 41.064 65.403  1 103.737 ? 75  B 1 c
ATOM 3563 H HD2  . PRO Bxp B 67  ? 21.016 41.317 65.891  1 103.686 ? 75  B 1 c
ATOM 3564 N N    . PRO Bxp B 68  ? 24.284 45.621 67.219  1 91.085  ? 76  B 1 .
ATOM 3565 C CA   . PRO Bxp B 68  ? 25.315 46.552 66.796  1 91.851  ? 76  B 1 .
ATOM 3566 C C    . PRO Bxp B 68  ? 26.713 45.96  66.927  1 93.476  ? 76  B 1 .
ATOM 3567 O O    . PRO Bxp B 68  ? 27.545 46.487 67.655  1 132.032 ? 76  B 1 .
ATOM 3568 C CB   . PRO Bxp B 68  ? 25.046 47.788 67.676  1 85.597  ? 76  B 1 .
ATOM 3569 C CG   . PRO Bxp B 68  ? 24.43  47.188 68.923  1 82.143  ? 76  B 1 .
ATOM 3570 C CD   . PRO Bxp B 68  ? 23.559 46.089 68.409  1 89.564  ? 76  B 1 .
ATOM 3571 H HA   . PRO Bxp B 68  ? 25.161 46.792 65.861  1 90.66   ? 76  B 1 c
ATOM 3572 H HB3  . PRO Bxp B 68  ? 24.425 48.398 67.245  1 85.834  ? 76  B 1 c
ATOM 3573 H HB2  . PRO Bxp B 68  ? 25.874 48.263 67.884  1 86.34   ? 76  B 1 c
ATOM 3574 H HG3  . PRO Bxp B 68  ? 23.9   47.853 69.407  1 84.571  ? 76  B 1 c
ATOM 3575 H HG2  . PRO Bxp B 68  ? 25.119 46.834 69.519  1 84.571  ? 76  B 1 c
ATOM 3576 H HD3  . PRO Bxp B 68  ? 23.471 45.374 69.06   1 88.061  ? 76  B 1 c
ATOM 3577 H HD2  . PRO Bxp B 68  ? 22.671 46.419 68.167  1 88.151  ? 76  B 1 c
ATOM 3578 N N    . SER Bxp B 69  ? 26.973 44.87  66.209  1 82.554  ? 77  B 1 .
ATOM 3579 C CA   . SER Bxp B 69  ? 28.324 44.352 66.09   1 93.329  ? 77  B 1 .
ATOM 3580 C C    . SER Bxp B 69  ? 28.92  44.197 67.486  1 90.07   ? 77  B 1 .
ATOM 3581 O O    . SER Bxp B 69  ? 28.189 44.055 68.46   1 103.959 ? 77  B 1 .
ATOM 3582 C CB   . SER Bxp B 69  ? 29.189 45.239 65.189  1 90.161  ? 77  B 1 .
ATOM 3583 O OG   . SER Bxp B 69  ? 29.574 46.445 65.836  1 80.508  ? 77  B 1 .
ATOM 3584 H H    . SER Bxp B 69  ? 26.298 44.445 65.764  1 87.711  ? 77  B 1 c
ATOM 3585 H HA   . SER Bxp B 69  ? 28.27  43.452 65.679  1 89.959  ? 77  B 1 c
ATOM 3586 H HB3  . SER Bxp B 69  ? 28.687 45.456 64.381  1 88.42   ? 77  B 1 c
ATOM 3587 H HB2  . SER Bxp B 69  ? 29.987 44.746 64.919  1 88.372  ? 77  B 1 c
ATOM 3588 H HG   . SER Bxp B 69  ? 30.057 46.909 65.28   0 62.9    ? 77  B 1 c
ATOM 3589 N N    . ASN Bxp B 70  ? 30.249 44.199 67.549  1 83.762  ? 78  B 1 .
ATOM 3590 C CA   . ASN Bxp B 70  ? 30.981 44.22  68.797  1 81.068  ? 78  B 1 .
ATOM 3591 C C    . ASN Bxp B 70  ? 31.908 45.426 68.804  1 78.348  ? 78  B 1 .
ATOM 3592 O O    . ASN Bxp B 70  ? 32.265 45.93  69.863  1 78.25   ? 78  B 1 .
ATOM 3593 C CB   . ASN Bxp B 70  ? 31.753 42.919 68.988  1 88.822  ? 78  B 1 .
ATOM 3594 C CG   . ASN Bxp B 70  ? 30.98  41.901 69.79   1 97.18   ? 78  B 1 .
ATOM 3595 O OD1  . ASN Bxp B 70  ? 30.968 41.964 71.027  1 102.702 ? 78  B 1 .
ATOM 3596 N ND2  . ASN Bxp B 70  ? 30.355 40.948 69.113  1 96.942  ? 78  B 1 .
ATOM 3597 H H    . ASN Bxp B 70  ? 30.723 44.122 66.772  1 84.666  ? 78  B 1 c
ATOM 3598 H HA   . ASN Bxp B 70  ? 30.343 44.306 69.541  1 82.688  ? 78  B 1 c
ATOM 3599 H HB3  . ASN Bxp B 70  ? 32.596 43.11  69.445  1 88.77   ? 78  B 1 c
ATOM 3600 H HB2  . ASN Bxp B 70  ? 31.965 42.541 68.112  1 88.824  ? 78  B 1 c
ATOM 3601 H HD21 . ASN Bxp B 70  ? 30.302 40.129 69.449  1 97.002  ? 78  B 1 c
ATOM 3602 H HD22 . ASN Bxp B 70  ? 29.99  41.131 68.326  1 96.958  ? 78  B 1 c
ATOM 3603 N N    . GLN Bxp B 71  ? 32.317 45.848 67.604  1 82      ? 79  B 1 .
ATOM 3604 C CA   . GLN Bxp B 71  ? 33.203 46.981 67.454  1 82.65   ? 79  B 1 .
ATOM 3605 C C    . GLN Bxp B 71  ? 32.466 48.24  67.882  1 76.484  ? 79  B 1 .
ATOM 3606 O O    . GLN Bxp B 71  ? 33.058 49.1   68.531  1 76.503  ? 79  B 1 .
ATOM 3607 C CB   . GLN Bxp B 71  ? 33.749 47.121 66.029  1 93.616  ? 79  B 1 .
ATOM 3608 C CG   . GLN Bxp B 71  ? 35.014 47.974 65.938  1 103.836 ? 79  B 1 .
ATOM 3609 C CD   . GLN Bxp B 71  ? 36.076 47.65  66.986  1 115.293 ? 79  B 1 .
ATOM 3610 O OE1  . GLN Bxp B 71  ? 36.557 46.514 67.121  1 101.111 ? 79  B 1 .
ATOM 3611 N NE2  . GLN Bxp B 71  ? 36.476 48.665 67.745  1 110.383 ? 79  B 1 .
ATOM 3612 H H    . GLN Bxp B 71  ? 32.047 45.406 66.852  1 81.473  ? 79  B 1 c
ATOM 3613 H HA   . GLN Bxp B 71  ? 33.967 46.849 68.068  1 83.324  ? 79  B 1 c
ATOM 3614 H HB3  . GLN Bxp B 71  ? 33.055 47.519 65.463  1 93.052  ? 79  B 1 c
ATOM 3615 H HB2  . GLN Bxp B 71  ? 33.943 46.227 65.678  1 93.067  ? 79  B 1 c
ATOM 3616 H HG3  . GLN Bxp B 71  ? 34.767 48.92  66.03   1 103.969 ? 79  B 1 c
ATOM 3617 H HG2  . GLN Bxp B 71  ? 35.412 47.86  65.049  1 103.898 ? 79  B 1 c
ATOM 3618 H HE21 . GLN Bxp B 71  ? 36.531 48.565 68.625  1 111.856 ? 79  B 1 c
ATOM 3619 H HE22 . GLN Bxp B 71  ? 36.688 49.441 67.371  1 111.807 ? 79  B 1 c
ATOM 3620 N N    . ILE Bxp B 72  ? 31.184 48.338 67.514  1 71.469  ? 80  B 1 .
ATOM 3621 C CA   . ILE Bxp B 72  ? 30.403 49.517 67.857  1 69.118  ? 80  B 1 .
ATOM 3622 C C    . ILE Bxp B 72  ? 30.139 49.575 69.36   1 61.461  ? 80  B 1 .
ATOM 3623 O O    . ILE Bxp B 72  ? 30.312 50.625 69.986  1 54.735  ? 80  B 1 .
ATOM 3624 C CB   . ILE Bxp B 72  ? 29.094 49.583 67.063  1 62.104  ? 80  B 1 .
ATOM 3625 C CG1  . ILE Bxp B 72  ? 29.382 49.775 65.597  1 63.695  ? 80  B 1 .
ATOM 3626 C CG2  . ILE Bxp B 72  ? 28.206 50.696 67.619  1 58.181  ? 80  B 1 .
ATOM 3627 C CD1  . ILE Bxp B 72  ? 28.148 49.663 64.728  1 69.959  ? 80  B 1 .
ATOM 3628 H H    . ILE Bxp B 72  ? 30.789 47.665 67.038  1 72.094  ? 80  B 1 c
ATOM 3629 H HA   . ILE Bxp B 72  ? 30.932 50.303 67.616  1 66.82   ? 80  B 1 c
ATOM 3630 H HB   . ILE Bxp B 72  ? 28.628 48.733 67.174  1 63.199  ? 80  B 1 c
ATOM 3631 H HG12 . ILE Bxp B 72  ? 30.032 49.102 65.31   1 64.773  ? 80  B 1 c
ATOM 3632 H HG13 . ILE Bxp B 72  ? 29.785 50.657 65.466  1 64.674  ? 80  B 1 c
ATOM 3633 H HG21 . ILE Bxp B 72  ? 27.55  50.956 66.952  1 59.458  ? 80  B 1 c
ATOM 3634 H HG22 . ILE Bxp B 72  ? 28.752 51.467 67.848  1 59.404  ? 80  B 1 c
ATOM 3635 H HG23 . ILE Bxp B 72  ? 27.745 50.379 68.414  1 59.364  ? 80  B 1 c
ATOM 3636 H HD11 . ILE Bxp B 72  ? 27.514 49.047 65.141  1 68.031  ? 80  B 1 c
ATOM 3637 H HD12 . ILE Bxp B 72  ? 28.399 49.327 63.847  1 68.028  ? 80  B 1 c
ATOM 3638 H HD13 . ILE Bxp B 72  ? 27.732 50.541 64.634  1 67.981  ? 80  B 1 c
ATOM 3639 N N    . VAL Bxp B 73  ? 29.72  48.444 69.929  1 55.44   ? 81  B 1 .
ATOM 3640 C CA   . VAL Bxp B 73  ? 29.48  48.391 71.358  1 55.179  ? 81  B 1 .
ATOM 3641 C C    . VAL Bxp B 73  ? 30.73  48.813 72.118  1 55.052  ? 81  B 1 .
ATOM 3642 O O    . VAL Bxp B 73  ? 30.622 49.458 73.151  1 56.817  ? 81  B 1 .
ATOM 3643 C CB   . VAL Bxp B 73  ? 29.049 47.008 71.851  1 53.346  ? 81  B 1 .
ATOM 3644 C CG1  . VAL Bxp B 73  ? 28.927 46.992 73.369  1 50.638  ? 81  B 1 .
ATOM 3645 C CG2  . VAL Bxp B 73  ? 27.766 46.564 71.164  1 53.787  ? 81  B 1 .
ATOM 3646 H H    . VAL Bxp B 73  ? 29.583 47.696 69.422  1 56.857  ? 81  B 1 c
ATOM 3647 H HA   . VAL Bxp B 73  ? 28.766 49.024 71.567  1 54.857  ? 81  B 1 c
ATOM 3648 H HB   . VAL Bxp B 73  ? 29.762 46.375 71.598  1 53.247  ? 81  B 1 c
ATOM 3649 H HG11 . VAL Bxp B 73  ? 28.546 47.833 73.674  1 51.498  ? 81  B 1 c
ATOM 3650 H HG12 . VAL Bxp B 73  ? 29.806 46.872 73.766  1 51.463  ? 81  B 1 c
ATOM 3651 H HG13 . VAL Bxp B 73  ? 28.35  46.26  73.642  1 51.474  ? 81  B 1 c
ATOM 3652 H HG21 . VAL Bxp B 73  ? 27.353 45.847 71.675  1 53.701  ? 81  B 1 c
ATOM 3653 H HG22 . VAL Bxp B 73  ? 27.97  46.245 70.269  1 53.973  ? 81  B 1 c
ATOM 3654 H HG23 . VAL Bxp B 73  ? 27.151 47.315 71.107  1 53.74   ? 81  B 1 c
ATOM 3655 N N    . ASP Bxp B 74  ? 31.907 48.415 71.635  1 58.23   ? 82  B 1 .
ATOM 3656 C CA   . ASP Bxp B 74  ? 33.144 48.756 72.318  1 59.195  ? 82  B 1 .
ATOM 3657 C C    . ASP Bxp B 74  ? 33.393 50.246 72.243  1 51.924  ? 82  B 1 .
ATOM 3658 O O    . ASP Bxp B 74  ? 33.58  50.864 73.273  1 60.508  ? 82  B 1 .
ATOM 3659 C CB   . ASP Bxp B 74  ? 34.356 48.025 71.779  1 67.078  ? 82  B 1 .
ATOM 3660 C CG   . ASP Bxp B 74  ? 34.492 46.62  72.324  1 82.814  ? 82  B 1 .
ATOM 3661 O OD1  . ASP Bxp B 74  ? 34.411 46.486 73.559  1 94.747  ? 82  B 1 .
ATOM 3662 O OD2  . ASP Bxp B 74  ? 34.639 45.689 71.507  1 101.286 ? 82  B 1 .
ATOM 3663 H H    . ASP Bxp B 74  ? 31.944 47.912 70.873  1 57.787  ? 82  B 1 c
ATOM 3664 H HA   . ASP Bxp B 74  ? 33.045 48.51  73.266  1 59.197  ? 82  B 1 c
ATOM 3665 H HB3  . ASP Bxp B 74  ? 35.168 48.524 72.01   1 68.359  ? 82  B 1 c
ATOM 3666 H HB2  . ASP Bxp B 74  ? 34.296 47.978 70.801  1 68.512  ? 82  B 1 c
ATOM 3667 N N    . ASP Bxp B 75  ? 33.41  50.787 71.028  1 53.06   ? 83  B 1 .
ATOM 3668 C CA   . ASP Bxp B 75  ? 33.684 52.2   70.82   1 58.55   ? 83  B 1 .
ATOM 3669 C C    . ASP Bxp B 75  ? 32.689 53.058 71.6    1 58.81   ? 83  B 1 .
ATOM 3670 O O    . ASP Bxp B 75  ? 33.111 53.957 72.332  1 48.857  ? 83  B 1 .
ATOM 3671 C CB   . ASP Bxp B 75  ? 33.763 52.546 69.34   1 57.11   ? 83  B 1 .
ATOM 3672 C CG   . ASP Bxp B 75  ? 34.979 51.948 68.645  1 57.486  ? 83  B 1 .
ATOM 3673 O OD1  . ASP Bxp B 75  ? 36.092 52.097 69.197  1 56.317  ? 83  B 1 .
ATOM 3674 O OD2  . ASP Bxp B 75  ? 34.809 51.319 67.578  1 62.89   ? 83  B 1 .
ATOM 3675 H H    . ASP Bxp B 75  ? 33.248 50.259 70.3    1 54.129  ? 83  B 1 c
ATOM 3676 H HA   . ASP Bxp B 75  ? 34.578 52.382 71.187  1 57.168  ? 83  B 1 c
ATOM 3677 H HB3  . ASP Bxp B 75  ? 33.795 53.52  69.239  1 57.533  ? 83  B 1 c
ATOM 3678 H HB2  . ASP Bxp B 75  ? 32.955 52.219 68.891  1 57.553  ? 83  B 1 c
ATOM 3679 N N    . TRP Bxp B 76  ? 31.389 52.766 71.424  1 59.3    ? 84  B 1 .
ATOM 3680 C CA   . TRP Bxp B 76  ? 30.308 53.502 72.074  1 53.953  ? 84  B 1 .
ATOM 3681 C C    . TRP Bxp B 76  ? 30.461 53.493 73.6    1 53.017  ? 84  B 1 .
ATOM 3682 O O    . TRP Bxp B 76  ? 30.419 54.551 74.245  1 44.316  ? 84  B 1 .
ATOM 3683 C CB   . TRP Bxp B 76  ? 28.949 52.929 71.648  1 48.927  ? 84  B 1 .
ATOM 3684 C CG   . TRP Bxp B 76  ? 27.816 53.275 72.58   1 47.321  ? 84  B 1 .
ATOM 3685 C CD1  . TRP Bxp B 76  ? 27.253 52.479 73.536  1 46.225  ? 84  B 1 .
ATOM 3686 C CD2  . TRP Bxp B 76  ? 27.122 54.53  72.661  1 41.65   ? 84  B 1 .
ATOM 3687 N NE1  . TRP Bxp B 76  ? 26.26  53.149 74.194  1 41.282  ? 84  B 1 .
ATOM 3688 C CE2  . TRP Bxp B 76  ? 26.16  54.405 73.675  1 40.704  ? 84  B 1 .
ATOM 3689 C CE3  . TRP Bxp B 76  ? 27.22  55.731 71.975  1 43.733  ? 84  B 1 .
ATOM 3690 C CZ2  . TRP Bxp B 76  ? 25.299 55.433 74.006  1 46.971  ? 84  B 1 .
ATOM 3691 C CZ3  . TRP Bxp B 76  ? 26.371 56.755 72.312  1 48.705  ? 84  B 1 .
ATOM 3692 C CH2  . TRP Bxp B 76  ? 25.424 56.609 73.314  1 48.79   ? 84  B 1 .
ATOM 3693 H H    . TRP Bxp B 76  ? 31.168 52.077 70.865  1 57.767  ? 84  B 1 c
ATOM 3694 H HA   . TRP Bxp B 76  ? 30.353 54.444 71.77   1 53.832  ? 84  B 1 c
ATOM 3695 H HB3  . TRP Bxp B 76  ? 29.024 51.952 71.597  1 49.718  ? 84  B 1 c
ATOM 3696 H HB2  . TRP Bxp B 76  ? 28.736 53.264 70.751  1 49.652  ? 84  B 1 c
ATOM 3697 H HD1  . TRP Bxp B 76  ? 27.508 51.589 73.723  1 45.24   ? 84  B 1 c
ATOM 3698 H HE1  . TRP Bxp B 76  ? 25.766 52.822 74.835  1 42.333  ? 84  B 1 c
ATOM 3699 H HE3  . TRP Bxp B 76  ? 27.857 55.84  71.29   1 44.397  ? 84  B 1 c
ATOM 3700 H HZ2  . TRP Bxp B 76  ? 24.662 55.334 74.693  1 45.83   ? 84  B 1 c
ATOM 3701 H HZ3  . TRP Bxp B 76  ? 26.43  57.575 71.849  1 47.421  ? 84  B 1 c
ATOM 3702 H HH2  . TRP Bxp B 76  ? 24.856 57.329 73.523  1 48.241  ? 84  B 1 c
ATOM 3703 N N    . LEU Bxp B 77  ? 30.657 52.288 74.153  1 48.549  ? 85  B 1 .
ATOM 3704 C CA   . LEU Bxp B 77  ? 30.795 52.09  75.59   1 49.124  ? 85  B 1 .
ATOM 3705 C C    . LEU Bxp B 77  ? 32     52.868 76.108  1 50.626  ? 85  B 1 .
ATOM 3706 O O    . LEU Bxp B 77  ? 31.997 53.485 77.159  1 53.505  ? 85  B 1 .
ATOM 3707 C CB   . LEU Bxp B 77  ? 30.977 50.596 75.817  1 48.622  ? 85  B 1 .
ATOM 3708 C CG   . LEU Bxp B 77  ? 30.16  49.977 76.948  1 54.121  ? 85  B 1 .
ATOM 3709 C CD1  . LEU Bxp B 77  ? 28.723 50.486 77.004  1 53.599  ? 85  B 1 .
ATOM 3710 C CD2  . LEU Bxp B 77  ? 30.186 48.468 76.742  1 55.559  ? 85  B 1 .
ATOM 3711 H H    . LEU Bxp B 77  ? 30.705 51.558 73.605  1 49.79   ? 85  B 1 c
ATOM 3712 H HA   . LEU Bxp B 77  ? 29.975 52.41  76.04   1 49.272  ? 85  B 1 c
ATOM 3713 H HB3  . LEU Bxp B 77  ? 31.931 50.425 75.995  1 49.968  ? 85  B 1 c
ATOM 3714 H HB2  . LEU Bxp B 77  ? 30.75  50.128 74.985  1 50.059  ? 85  B 1 c
ATOM 3715 H HG   . LEU Bxp B 77  ? 30.605 50.188 77.809  1 53.255  ? 85  B 1 c
ATOM 3716 H HD11 . LEU Bxp B 77  ? 28.686 51.297 77.537  1 53.702  ? 85  B 1 c
ATOM 3717 H HD12 . LEU Bxp B 77  ? 28.153 49.81  77.406  1 53.746  ? 85  B 1 c
ATOM 3718 H HD13 . LEU Bxp B 77  ? 28.41  50.676 76.104  1 53.662  ? 85  B 1 c
ATOM 3719 H HD21 . LEU Bxp B 77  ? 31.066 48.124 76.971  1 55.112  ? 85  B 1 c
ATOM 3720 H HD22 . LEU Bxp B 77  ? 29.991 48.262 75.812  1 55.048  ? 85  B 1 c
ATOM 3721 H HD23 . LEU Bxp B 77  ? 29.519 48.05  77.308  1 55.116  ? 85  B 1 c
ATOM 3722 N N    . SER Bxp B 78  ? 33.045 52.865 75.305  1 56.273  ? 86  B 1 .
ATOM 3723 C CA   . SER Bxp B 78  ? 34.27  53.546 75.652  1 49.063  ? 86  B 1 .
ATOM 3724 C C    . SER Bxp B 78  ? 34.097 55.048 75.457  1 46.197  ? 86  B 1 .
ATOM 3725 O O    . SER Bxp B 78  ? 34.696 55.817 76.175  1 43.709  ? 86  B 1 .
ATOM 3726 C CB   . SER Bxp B 78  ? 35.378 52.965 74.852  1 44.253  ? 86  B 1 .
ATOM 3727 O OG   . SER Bxp B 78  ? 36.558 53.687 75.077  1 46.893  ? 86  B 1 .
ATOM 3728 H H    . SER Bxp B 78  ? 33.003 52.413 74.511  1 52.996  ? 86  B 1 c
ATOM 3729 H HA   . SER Bxp B 78  ? 34.457 53.378 76.611  1 48.91   ? 86  B 1 c
ATOM 3730 H HB3  . SER Bxp B 78  ? 35.149 52.999 73.903  1 45.986  ? 86  B 1 c
ATOM 3731 H HB2  . SER Bxp B 78  ? 35.51  52.032 75.106  1 45.95   ? 86  B 1 c
ATOM 3732 H HG   . SER Bxp B 78  ? 37.206 53.513 74.519  0 46.41   ? 86  B 1 c
ATOM 3733 N N    . LEU Bxp B 79  ? 33.25  55.46  74.507  1 55.499  ? 87  B 1 .
ATOM 3734 C CA   . LEU Bxp B 79  ? 32.963 56.874 74.265  1 51.809  ? 87  B 1 .
ATOM 3735 C C    . LEU Bxp B 79  ? 32.263 57.439 75.494  1 49.387  ? 87  B 1 .
ATOM 3736 O O    . LEU Bxp B 79  ? 32.535 58.571 75.904  1 45.468  ? 87  B 1 .
ATOM 3737 C CB   . LEU Bxp B 79  ? 32.151 57.108 72.985  1 45.544  ? 87  B 1 .
ATOM 3738 C CG   . LEU Bxp B 79  ? 31.442 58.459 72.873  1 45.688  ? 87  B 1 .
ATOM 3739 C CD1  . LEU Bxp B 79  ? 32.38  59.612 72.91   1 47.603  ? 87  B 1 .
ATOM 3740 C CD2  . LEU Bxp B 79  ? 30.63  58.578 71.617  1 51.07   ? 87  B 1 .
ATOM 3741 H H    . LEU Bxp B 79  ? 32.845 54.838 73.975  1 52.225  ? 87  B 1 c
ATOM 3742 H HA   . LEU Bxp B 79  ? 33.832 57.342 74.172  1 50.776  ? 87  B 1 c
ATOM 3743 H HB3  . LEU Bxp B 79  ? 31.474 56.397 72.916  1 46.951  ? 87  B 1 c
ATOM 3744 H HB2  . LEU Bxp B 79  ? 32.758 57.012 72.216  1 46.937  ? 87  B 1 c
ATOM 3745 H HG   . LEU Bxp B 79  ? 30.82  58.547 73.641  1 47.009  ? 87  B 1 c
ATOM 3746 H HD11 . LEU Bxp B 79  ? 32.906 59.581 73.723  1 47.139  ? 87  B 1 c
ATOM 3747 H HD12 . LEU Bxp B 79  ? 31.875 60.441 72.882  1 47.207  ? 87  B 1 c
ATOM 3748 H HD13 . LEU Bxp B 79  ? 32.973 59.571 72.141  1 47.097  ? 87  B 1 c
ATOM 3749 H HD21 . LEU Bxp B 79  ? 29.997 57.841 71.568  1 49.373  ? 87  B 1 c
ATOM 3750 H HD22 . LEU Bxp B 79  ? 31.22  58.548 70.846  1 49.366  ? 87  B 1 c
ATOM 3751 H HD23 . LEU Bxp B 79  ? 30.145 59.42  71.62   1 49.299  ? 87  B 1 c
ATOM 3752 N N    . VAL Bxp B 80  ? 31.418 56.602 76.105  1 50.223  ? 88  B 1 .
ATOM 3753 C CA   . VAL Bxp B 80  ? 30.667 56.996 77.289  1 53.067  ? 88  B 1 .
ATOM 3754 C C    . VAL Bxp B 80  ? 31.617 57.099 78.488  1 58.593  ? 88  B 1 .
ATOM 3755 O O    . VAL Bxp B 80  ? 31.534 58.06  79.254  1 54.4    ? 88  B 1 .
ATOM 3756 C CB   . VAL Bxp B 80  ? 29.543 55.969 77.529  1 49.78   ? 88  B 1 .
ATOM 3757 C CG1  . VAL Bxp B 80  ? 28.675 56.325 78.713  1 46.899  ? 88  B 1 .
ATOM 3758 C CG2  . VAL Bxp B 80  ? 28.682 55.774 76.286  1 53.523  ? 88  B 1 .
ATOM 3759 H H    . VAL Bxp B 80  ? 31.306 55.757 75.775  1 50.69   ? 88  B 1 c
ATOM 3760 H HA   . VAL Bxp B 80  ? 30.265 57.872 77.128  1 52.784  ? 88  B 1 c
ATOM 3761 H HB   . VAL Bxp B 80  ? 29.977 55.107 77.728  1 50.5    ? 88  B 1 c
ATOM 3762 H HG11 . VAL Bxp B 80  ? 28.471 57.272 78.692  1 47.625  ? 88  B 1 c
ATOM 3763 H HG12 . VAL Bxp B 80  ? 29.146 56.114 79.537  1 47.763  ? 88  B 1 c
ATOM 3764 H HG13 . VAL Bxp B 80  ? 27.849 55.815 78.676  1 47.763  ? 88  B 1 c
ATOM 3765 H HG21 . VAL Bxp B 80  ? 27.771 56.056 76.472  1 52.288  ? 88  B 1 c
ATOM 3766 H HG22 . VAL Bxp B 80  ? 28.682 54.835 76.036  1 52.303  ? 88  B 1 c
ATOM 3767 H HG23 . VAL Bxp B 80  ? 29.037 56.304 75.553  1 52.292  ? 88  B 1 c
ATOM 3768 N N    . LYS Bxp B 81  ? 32.508 56.102 78.651  1 52.699  ? 89  B 1 .
ATOM 3769 C CA   . LYS Bxp B 81  ? 33.462 56.092 79.747  1 52.349  ? 89  B 1 .
ATOM 3770 C C    . LYS Bxp B 81  ? 34.262 57.392 79.804  1 47.733  ? 89  B 1 .
ATOM 3771 O O    . LYS Bxp B 81  ? 34.538 57.859 80.9    1 49.403  ? 89  B 1 .
ATOM 3772 C CB   . LYS Bxp B 81  ? 34.45  54.935 79.576  1 61.994  ? 89  B 1 .
ATOM 3773 C CG   . LYS Bxp B 81  ? 35.474 54.677 80.692  1 66.005  ? 89  B 1 .
ATOM 3774 C CD   . LYS Bxp B 81  ? 36.071 53.269 80.589  1 68.825  ? 89  B 1 .
ATOM 3775 C CE   . LYS Bxp B 81  ? 36.874 52.77  81.749  1 78.844  ? 89  B 1 .
ATOM 3776 N NZ   . LYS Bxp B 81  ? 38.04  53.596 82.077  1 94.947  ? 89  B 1 .
ATOM 3777 H H    . LYS Bxp B 81  ? 32.512 55.405 78.06   1 54.033  ? 89  B 1 c
ATOM 3778 H HA   . LYS Bxp B 81  ? 32.965 55.98  80.597  1 53.123  ? 89  B 1 c
ATOM 3779 H HB3  . LYS Bxp B 81  ? 34.948 55.088 78.744  1 60.327  ? 89  B 1 c
ATOM 3780 H HB2  . LYS Bxp B 81  ? 33.928 54.114 79.452  1 60.52   ? 89  B 1 c
ATOM 3781 H HG3  . LYS Bxp B 81  ? 35.031 54.782 81.562  1 65.674  ? 89  B 1 c
ATOM 3782 H HG2  . LYS Bxp B 81  ? 36.193 55.342 80.627  1 65.6    ? 89  B 1 c
ATOM 3783 H HD3  . LYS Bxp B 81  ? 36.638 53.252 79.794  1 70.344  ? 89  B 1 c
ATOM 3784 H HD2  . LYS Bxp B 81  ? 35.337 52.637 80.428  1 70.294  ? 89  B 1 c
ATOM 3785 H HE3  . LYS Bxp B 81  ? 37.18  51.867 81.554  1 79.864  ? 89  B 1 c
ATOM 3786 H HE2  . LYS Bxp B 81  ? 36.298 52.723 82.533  1 79.865  ? 89  B 1 c
ATOM 3787 H HZ1  . LYS Bxp B 81  ? 37.767 54.385 82.429  1 89.535  ? 89  B 1 c
ATOM 3788 H HZ2  . LYS Bxp B 81  ? 38.522 53.756 81.327  1 89.632  ? 89  B 1 c
ATOM 3789 H HZ3  . LYS Bxp B 81  ? 38.56  53.165 82.68   1 89.632  ? 89  B 1 c
ATOM 3790 N N    . ILE Bxp B 82  ? 34.665 57.927 78.64   1 41.374  ? 90  B 1 .
ATOM 3791 C CA   . ILE Bxp B 82  ? 35.492 59.118 78.549  1 44.335  ? 90  B 1 .
ATOM 3792 C C    . ILE Bxp B 82  ? 34.617 60.376 78.579  1 46.216  ? 90  B 1 .
ATOM 3793 O O    . ILE Bxp B 82  ? 34.667 61.156 79.525  1 45.253  ? 90  B 1 .
ATOM 3794 C CB   . ILE Bxp B 82  ? 36.366 59.152 77.275  1 52.928  ? 90  B 1 .
ATOM 3795 C CG1  . ILE Bxp B 82  ? 37.072 57.835 76.924  1 48.98   ? 90  B 1 .
ATOM 3796 C CG2  . ILE Bxp B 82  ? 37.348 60.326 77.339  1 55.604  ? 90  B 1 .
ATOM 3797 C CD1  . ILE Bxp B 82  ? 38.151 57.434 77.884  1 51.018  ? 90  B 1 .
ATOM 3798 H H    . ILE Bxp B 82  ? 34.405 57.524 77.862  1 43.738  ? 90  B 1 c
ATOM 3799 H HA   . ILE Bxp B 82  ? 36.086 59.138 79.325  1 45.641  ? 90  B 1 c
ATOM 3800 H HB   . ILE Bxp B 82  ? 35.763 59.338 76.53   1 50.857  ? 90  B 1 c
ATOM 3801 H HG12 . ILE Bxp B 82  ? 37.465 57.92  76.032  1 50.29   ? 90  B 1 c
ATOM 3802 H HG13 . ILE Bxp B 82  ? 36.407 57.12  76.888  1 50.166  ? 90  B 1 c
ATOM 3803 H HG21 . ILE Bxp B 82  ? 38.123 60.133 76.784  1 54.725  ? 90  B 1 c
ATOM 3804 H HG22 . ILE Bxp B 82  ? 37.637 60.461 78.258  1 54.645  ? 90  B 1 c
ATOM 3805 H HG23 . ILE Bxp B 82  ? 36.914 61.133 77.016  1 54.72   ? 90  B 1 c
ATOM 3806 H HD11 . ILE Bxp B 82  ? 39.017 57.714 77.534  1 50.389  ? 90  B 1 c
ATOM 3807 H HD12 . ILE Bxp B 82  ? 38.141 56.464 77.988  1 50.388  ? 90  B 1 c
ATOM 3808 H HD13 . ILE Bxp B 82  ? 38.001 57.854 78.752  1 50.352  ? 90  B 1 c
ATOM 3809 N N    . LYS Bxp B 83  ? 33.873 60.631 77.501  1 46.094  ? 91  B 1 .
ATOM 3810 C CA   . LYS Bxp B 83  ? 33.21  61.91  77.308  1 51.493  ? 91  B 1 .
ATOM 3811 C C    . LYS Bxp B 83  ? 32.65  62.515 78.59   1 50.897  ? 91  B 1 .
ATOM 3812 O O    . LYS Bxp B 83  ? 32.808 63.705 78.811  1 50.787  ? 91  B 1 .
ATOM 3813 C CB   . LYS Bxp B 83  ? 32.02  61.847 76.347  1 52.774  ? 91  B 1 .
ATOM 3814 C CG   . LYS Bxp B 83  ? 32.375 62.235 74.943  1 54.673  ? 91  B 1 .
ATOM 3815 C CD   . LYS Bxp B 83  ? 32.937 63.641 74.834  1 56.509  ? 91  B 1 .
ATOM 3816 C CE   . LYS Bxp B 83  ? 33.684 63.797 73.549  1 60.591  ? 91  B 1 .
ATOM 3817 N NZ   . LYS Bxp B 83  ? 33.954 65.229 73.412  1 74.758  ? 91  B 1 .
ATOM 3818 H H    . LYS Bxp B 83  ? 33.759 59.979 76.871  1 47.373  ? 91  B 1 c
ATOM 3819 H HA   . LYS Bxp B 83  ? 33.879 62.537 76.945  1 50.686  ? 91  B 1 c
ATOM 3820 H HB3  . LYS Bxp B 83  ? 31.312 62.447 76.667  1 52.887  ? 91  B 1 c
ATOM 3821 H HB2  . LYS Bxp B 83  ? 31.659 60.935 76.34   1 52.83   ? 91  B 1 c
ATOM 3822 H HG3  . LYS Bxp B 83  ? 31.571 62.164 74.383  1 54.557  ? 91  B 1 c
ATOM 3823 H HG2  . LYS Bxp B 83  ? 33.04  61.6   74.603  1 54.508  ? 91  B 1 c
ATOM 3824 H HD3  . LYS Bxp B 83  ? 33.541 63.827 75.583  1 57.022  ? 91  B 1 c
ATOM 3825 H HD2  . LYS Bxp B 83  ? 32.199 64.289 74.862  1 57.171  ? 91  B 1 c
ATOM 3826 H HE3  . LYS Bxp B 83  ? 33.148 63.488 72.797  1 62.675  ? 91  B 1 c
ATOM 3827 H HE2  . LYS Bxp B 83  ? 34.523 63.303 73.574  1 62.675  ? 91  B 1 c
ATOM 3828 H HZ1  . LYS Bxp B 83  ? 34.371 65.54  74.154  1 69.834  ? 91  B 1 c
ATOM 3829 H HZ2  . LYS Bxp B 83  ? 33.178 65.681 73.295  1 69.836  ? 91  B 1 c
ATOM 3830 H HZ3  . LYS Bxp B 83  ? 34.488 65.371 72.694  1 69.98   ? 91  B 1 c
ATOM 3831 N N    . PHE Bxp B 84  ? 31.909 61.742 79.385  1 52.587  ? 92  B 1 .
ATOM 3832 C CA   . PHE Bxp B 84  ? 31.202 62.341 80.497  1 46.797  ? 92  B 1 .
ATOM 3833 C C    . PHE Bxp B 84  ? 32.176 62.693 81.616  1 50.089  ? 92  B 1 .
ATOM 3834 O O    . PHE Bxp B 84  ? 31.895 63.633 82.352  1 57.333  ? 92  B 1 .
ATOM 3835 C CB   . PHE Bxp B 84  ? 30.056 61.437 80.943  1 45.602  ? 92  B 1 .
ATOM 3836 C CG   . PHE Bxp B 84  ? 28.932 61.263 79.931  1 41.416  ? 92  B 1 .
ATOM 3837 C CD1  . PHE Bxp B 84  ? 28.149 62.333 79.564  1 41.898  ? 92  B 1 .
ATOM 3838 C CD2  . PHE Bxp B 84  ? 28.625 60.02  79.399  1 42.761  ? 92  B 1 .
ATOM 3839 C CE1  . PHE Bxp B 84  ? 27.108 62.172 78.67   1 44.09   ? 92  B 1 .
ATOM 3840 C CE2  . PHE Bxp B 84  ? 27.576 59.86  78.522  1 42.434  ? 92  B 1 .
ATOM 3841 C CZ   . PHE Bxp B 84  ? 26.823 60.939 78.155  1 44.223  ? 92  B 1 .
ATOM 3842 H H    . PHE Bxp B 84  ? 31.841 60.843 79.234  1 50.741  ? 92  B 1 c
ATOM 3843 H HA   . PHE Bxp B 84  ? 30.799 63.191 80.174  1 48.242  ? 92  B 1 c
ATOM 3844 H HB3  . PHE Bxp B 84  ? 29.677 61.805 81.772  1 44.863  ? 92  B 1 c
ATOM 3845 H HB2  . PHE Bxp B 84  ? 30.427 60.552 81.157  1 44.814  ? 92  B 1 c
ATOM 3846 H HD1  . PHE Bxp B 84  ? 28.333 63.188 79.919  1 42.332  ? 92  B 1 c
ATOM 3847 H HD2  . PHE Bxp B 84  ? 29.137 59.269 79.654  1 42.524  ? 92  B 1 c
ATOM 3848 H HE1  . PHE Bxp B 84  ? 26.587 62.918 78.419  1 43.593  ? 92  B 1 c
ATOM 3849 H HE2  . PHE Bxp B 84  ? 27.39  59.011 78.158  1 42.97   ? 92  B 1 c
ATOM 3850 H HZ   . PHE Bxp B 84  ? 26.115 60.835 77.54   1 43.736  ? 92  B 1 c
ATOM 3851 N N    . ARG Bxp B 85  ? 33.278 61.933 81.765  1 56.06   ? 93  B 1 .
ATOM 3852 C CA   . ARG Bxp B 85  ? 34.334 62.28  82.71   1 59.365  ? 93  B 1 .
ATOM 3853 C C    . ARG Bxp B 85  ? 35.07  63.495 82.109  1 60.011  ? 93  B 1 .
ATOM 3854 O O    . ARG Bxp B 85  ? 35.292 64.516 82.771  1 50.588  ? 93  B 1 .
ATOM 3855 C CB   . ARG Bxp B 85  ? 35.251 61.081 83.028  1 67.017  ? 93  B 1 .
ATOM 3856 C CG   . ARG Bxp B 85  ? 34.883 59.868 83.888  1 77.676  ? 93  B 1 .
ATOM 3857 C CD   . ARG Bxp B 85  ? 36.206 58.997 84.064  1 119.77  ? 93  B 1 .
ATOM 3858 N NE   . ARG Bxp B 85  ? 36.244 57.597 84.561  1 145.532 ? 93  B 1 .
ATOM 3859 C CZ   . ARG Bxp B 85  ? 37.337 56.755 84.629  1 119.406 ? 93  B 1 .
ATOM 3860 N NH1  . ARG Bxp B 85  ? 38.47  57.101 84.044  1 123.8   ? 93  B 1 .
ATOM 3861 N NH2  . ARG Bxp B 85  ? 37.321 55.563 85.236  1 78.868  ? 93  B 1 .
ATOM 3862 H H    . ARG Bxp B 85  ? 33.368 61.171 81.269  1 55.354  ? 93  B 1 c
ATOM 3863 H HA   . ARG Bxp B 85  ? 33.906 62.566 83.557  1 60.064  ? 93  B 1 c
ATOM 3864 H HB3  . ARG Bxp B 85  ? 36.058 61.469 83.428  1 67.64   ? 93  B 1 c
ATOM 3865 H HB2  . ARG Bxp B 85  ? 35.527 60.728 82.156  1 67.622  ? 93  B 1 c
ATOM 3866 H HG3  . ARG Bxp B 85  ? 34.19  59.334 83.442  1 82.629  ? 93  B 1 c
ATOM 3867 H HG2  . ARG Bxp B 85  ? 34.56  60.163 84.767  1 82.628  ? 93  B 1 c
ATOM 3868 H HD3  . ARG Bxp B 85  ? 36.792 59.53  84.636  1 113.597 ? 93  B 1 c
ATOM 3869 H HD2  . ARG Bxp B 85  ? 36.629 59.002 83.181  1 112.956 ? 93  B 1 c
ATOM 3870 H HE   . ARG Bxp B 85  ? 35.491 57.263 84.845  1 132.786 ? 93  B 1 c
ATOM 3871 H HH11 . ARG Bxp B 85  ? 38.551 57.032 83.166  1 122.431 ? 93  B 1 c
ATOM 3872 H HH12 . ARG Bxp B 85  ? 39.142 57.402 84.534  1 122.431 ? 93  B 1 c
ATOM 3873 H HH21 . ARG Bxp B 85  ? 37.34  54.824 84.751  1 89.69   ? 93  B 1 c
ATOM 3874 H HH22 . ARG Bxp B 85  ? 37.281 55.521 86.118  1 89.689  ? 93  B 1 c
ATOM 3875 N N    . GLU Bxp B 86  ? 35.379 63.39  80.806  1 59.532  ? 94  B 1 .
ATOM 3876 C CA   . GLU Bxp B 86  ? 36.141 64.371 80.042  1 56.811  ? 94  B 1 .
ATOM 3877 C C    . GLU Bxp B 86  ? 35.47  65.737 80.025  1 47.032  ? 94  B 1 .
ATOM 3878 O O    . GLU Bxp B 86  ? 36.155 66.716 80.09   1 47.442  ? 94  B 1 .
ATOM 3879 C CB   . GLU Bxp B 86  ? 36.349 63.835 78.625  1 63.367  ? 94  B 1 .
ATOM 3880 C CG   . GLU Bxp B 86  ? 37.072 64.771 77.657  1 67.974  ? 94  B 1 .
ATOM 3881 C CD   . GLU Bxp B 86  ? 37.37  64.124 76.295  1 69.917  ? 94  B 1 .
ATOM 3882 O OE1  . GLU Bxp B 86  ? 38.428 63.465 76.113  1 67.461  ? 94  B 1 .
ATOM 3883 O OE2  . GLU Bxp B 86  ? 36.505 64.255 75.398  1 61.964  ? 94  B 1 .
ATOM 3884 H H    . GLU Bxp B 86  ? 35.097 62.641 80.365  1 58.979  ? 94  B 1 c
ATOM 3885 H HA   . GLU Bxp B 86  ? 37.03  64.467 80.469  1 56.424  ? 94  B 1 c
ATOM 3886 H HB3  . GLU Bxp B 86  ? 35.472 63.622 78.243  1 62.692  ? 94  B 1 c
ATOM 3887 H HB2  . GLU Bxp B 86  ? 36.858 63     78.68   1 62.786  ? 94  B 1 c
ATOM 3888 H HG3  . GLU Bxp B 86  ? 37.919 65.059 78.059  1 67.33   ? 94  B 1 c
ATOM 3889 H HG2  . GLU Bxp B 86  ? 36.524 65.569 77.508  1 67.338  ? 94  B 1 c
ATOM 3890 N N    . GLU Bxp B 87  ? 34.151 65.815 79.899  1 58.945  ? 95  B 1 .
ATOM 3891 C CA   . GLU Bxp B 87  ? 33.438 67.093 79.869  1 61.098  ? 95  B 1 .
ATOM 3892 C C    . GLU Bxp B 87  ? 32.161 66.982 80.697  1 53.614  ? 95  B 1 .
ATOM 3893 O O    . GLU Bxp B 87  ? 31.085 66.735 80.158  1 44.076  ? 95  B 1 .
ATOM 3894 C CB   . GLU Bxp B 87  ? 33.073 67.564 78.461  1 70.098  ? 95  B 1 .
ATOM 3895 C CG   . GLU Bxp B 87  ? 34.298 67.827 77.59   1 86.943  ? 95  B 1 .
ATOM 3896 C CD   . GLU Bxp B 87  ? 33.947 67.863 76.118  1 110.166 ? 95  B 1 .
ATOM 3897 O OE1  . GLU Bxp B 87  ? 32.916 68.508 75.817  1 123.853 ? 95  B 1 .
ATOM 3898 O OE2  . GLU Bxp B 87  ? 34.684 67.263 75.3    1 118.335 ? 95  B 1 .
ATOM 3899 H H    . GLU Bxp B 87  ? 33.666 65.044 79.823  1 56.299  ? 95  B 1 c
ATOM 3900 H HA   . GLU Bxp B 87  ? 34.018 67.784 80.274  1 60.499  ? 95  B 1 c
ATOM 3901 H HB3  . GLU Bxp B 87  ? 32.541 68.385 78.528  1 71.242  ? 95  B 1 c
ATOM 3902 H HB2  . GLU Bxp B 87  ? 32.517 66.881 78.031  1 71.319  ? 95  B 1 c
ATOM 3903 H HG3  . GLU Bxp B 87  ? 34.962 67.125 77.739  1 86.707  ? 95  B 1 c
ATOM 3904 H HG2  . GLU Bxp B 87  ? 34.699 68.687 77.843  1 87.301  ? 95  B 1 c
ATOM 3905 N N    . PRO Bxp B 88  ? 32.286 67.149 82.036  1 54.758  ? 96  B 1 .
ATOM 3906 C CA   . PRO Bxp B 88  ? 31.197 67.093 83.009  1 49.073  ? 96  B 1 .
ATOM 3907 C C    . PRO Bxp B 88  ? 29.892 67.755 82.612  1 44.959  ? 96  B 1 .
ATOM 3908 O O    . PRO Bxp B 88  ? 29.86  68.892 82.179  1 45.089  ? 96  B 1 .
ATOM 3909 C CB   . PRO Bxp B 88  ? 31.739 67.924 84.148  1 48.363  ? 96  B 1 .
ATOM 3910 C CG   . PRO Bxp B 88  ? 33.147 67.375 84.139  1 53.027  ? 96  B 1 .
ATOM 3911 C CD   . PRO Bxp B 88  ? 33.562 67.41  82.708  1 54.026  ? 96  B 1 .
ATOM 3912 H HA   . PRO Bxp B 88  ? 31.042 66.168 83.294  1 49.169  ? 96  B 1 c
ATOM 3913 H HB3  . PRO Bxp B 88  ? 31.278 67.732 84.988  1 49.528  ? 96  B 1 c
ATOM 3914 H HB2  . PRO Bxp B 88  ? 31.721 68.879 83.944  1 49.485  ? 96  B 1 c
ATOM 3915 H HG3  . PRO Bxp B 88  ? 33.167 66.458 84.481  1 52.143  ? 96  B 1 c
ATOM 3916 H HG2  . PRO Bxp B 88  ? 33.741 67.929 84.684  1 52.158  ? 96  B 1 c
ATOM 3917 H HD3  . PRO Bxp B 88  ? 33.919 68.285 82.459  1 54.037  ? 96  B 1 c
ATOM 3918 H HD2  . PRO Bxp B 88  ? 34.217 66.718 82.504  1 53.961  ? 96  B 1 c
ATOM 3919 N N    . GLY Bxp B 89  ? 28.81  67.022 82.786  1 45.857  ? 97  B 1 .
ATOM 3920 C CA   . GLY Bxp B 89  ? 27.498 67.585 82.568  1 47.994  ? 97  B 1 .
ATOM 3921 C C    . GLY Bxp B 89  ? 27.191 67.773 81.089  1 43.941  ? 97  B 1 .
ATOM 3922 O O    . GLY Bxp B 89  ? 26.244 68.488 80.771  1 39.338  ? 97  B 1 .
ATOM 3923 H H    . GLY Bxp B 89  ? 28.883 66.149 83.044  1 46.161  ? 97  B 1 c
ATOM 3924 H HA3  . GLY Bxp B 89  ? 27.441 68.455 83.028  1 46.532  ? 97  B 1 c
ATOM 3925 H HA2  . GLY Bxp B 89  ? 26.826 66.988 82.968  1 46.545  ? 97  B 1 c
ATOM 3926 N N    . CYS Bxp B 90  ? 27.921 67.08  80.207  1 41.812  ? 98  B 1 .
ATOM 3927 C CA   . CYS Bxp B 90  ? 27.653 67.2   78.78   1 46.665  ? 98  B 1 .
ATOM 3928 C C    . CYS Bxp B 90  ? 26.552 66.231 78.353  1 46.646  ? 98  B 1 .
ATOM 3929 O O    . CYS Bxp B 90  ? 26.105 65.43  79.159  1 46.281  ? 98  B 1 .
ATOM 3930 C CB   . CYS Bxp B 90  ? 28.9   66.975 77.94   1 45.611  ? 98  B 1 .
ATOM 3931 S SG   . CYS Bxp B 90  ? 29.425 65.248 77.898  1 43.53   ? 98  B 1 .
ATOM 3932 H H    . CYS Bxp B 90  ? 28.583 66.518 80.491  1 43.422  ? 98  B 1 c
ATOM 3933 H HA   . CYS Bxp B 90  ? 27.338 68.123 78.605  1 45.434  ? 98  B 1 c
ATOM 3934 H HB3  . CYS Bxp B 90  ? 29.635 67.519 78.3    1 45.45   ? 98  B 1 c
ATOM 3935 H HB2  . CYS Bxp B 90  ? 28.727 67.271 77.019  1 45.466  ? 98  B 1 c
ATOM 3936 H HG   . CYS Bxp B 90  ? 30.398 65.531 77.273  0 32.36   ? 98  B 1 c
ATOM 3937 N N    . CYS Bxp B 91  ? 26.121 66.323 77.083  1 47.762  ? 99  B 1 .
ATOM 3938 C CA   . CYS Bxp B 91  ? 25.091 65.445 76.541  1 46.631  ? 99  B 1 .
ATOM 3939 C C    . CYS Bxp B 91  ? 25.616 64.782 75.27   1 43.413  ? 99  B 1 .
ATOM 3940 O O    . CYS Bxp B 91  ? 26.288 65.429 74.492  1 47.204  ? 99  B 1 .
ATOM 3941 C CB   . CYS Bxp B 91  ? 23.785 66.199 76.272  1 44.497  ? 99  B 1 .
ATOM 3942 S SG   . CYS Bxp B 91  ? 22.462 65.155 75.576  1 39.339  ? 99  B 1 .
ATOM 3943 H H    . CYS Bxp B 91  ? 26.48  66.962 76.538  1 47.211  ? 99  B 1 c
ATOM 3944 H HA   . CYS Bxp B 91  ? 24.909 64.74  77.208  1 45.773  ? 99  B 1 c
ATOM 3945 H HB3  . CYS Bxp B 91  ? 23.964 66.936 75.648  1 44.094  ? 99  B 1 c
ATOM 3946 H HB2  . CYS Bxp B 91  ? 23.467 66.588 77.112  1 44.162  ? 99  B 1 c
ATOM 3947 H HG   . CYS Bxp B 91  ? 21.593 66.096 75.615  0 24.23   ? 99  B 1 c
ATOM 3948 N N    . ILE Bxp B 92  ? 25.322 63.491 75.095  1 41.004  ? 100 B 1 .
ATOM 3949 C CA   . ILE Bxp B 92  ? 25.614 62.76  73.87   1 41.634  ? 100 B 1 .
ATOM 3950 C C    . ILE Bxp B 92  ? 24.297 62.518 73.132  1 44.423  ? 100 B 1 .
ATOM 3951 O O    . ILE Bxp B 92  ? 23.361 61.956 73.705  1 40.822  ? 100 B 1 .
ATOM 3952 C CB   . ILE Bxp B 92  ? 26.296 61.407 74.177  1 43.284  ? 100 B 1 .
ATOM 3953 C CG1  . ILE Bxp B 92  ? 27.711 61.554 74.757  1 39.225  ? 100 B 1 .
ATOM 3954 C CG2  . ILE Bxp B 92  ? 26.285 60.489 72.953  1 43.103  ? 100 B 1 .
ATOM 3955 C CD1  . ILE Bxp B 92  ? 28.366 60.223 75.077  1 36.358  ? 100 B 1 .
ATOM 3956 H H    . ILE Bxp B 92  ? 24.917 63.04  75.779  1 41.774  ? 100 B 1 c
ATOM 3957 H HA   . ILE Bxp B 92  ? 26.207 63.295 73.308  1 42.397  ? 100 B 1 c
ATOM 3958 H HB   . ILE Bxp B 92  ? 25.755 60.97  74.865  1 42.155  ? 100 B 1 c
ATOM 3959 H HG12 . ILE Bxp B 92  ? 27.664 62.09  75.575  1 39.415  ? 100 B 1 c
ATOM 3960 H HG13 . ILE Bxp B 92  ? 28.268 62.036 74.112  1 39.415  ? 100 B 1 c
ATOM 3961 H HG21 . ILE Bxp B 92  ? 26.967 59.805 73.046  1 42.999  ? 100 B 1 c
ATOM 3962 H HG22 . ILE Bxp B 92  ? 26.462 61.011 72.152  1 43.117  ? 100 B 1 c
ATOM 3963 H HG23 . ILE Bxp B 92  ? 25.415 60.062 72.873  1 43.124  ? 100 B 1 c
ATOM 3964 H HD11 . ILE Bxp B 92  ? 27.681 59.556 75.274  1 37.286  ? 100 B 1 c
ATOM 3965 H HD12 . ILE Bxp B 92  ? 28.948 60.328 75.854  1 37.214  ? 100 B 1 c
ATOM 3966 H HD13 . ILE Bxp B 92  ? 28.897 59.926 74.314  1 37.243  ? 100 B 1 c
ATOM 3967 N N    . ALA Bxp B 93  ? 24.251 62.869 71.838  1 48.781  ? 101 B 1 .
ATOM 3968 C CA   . ALA Bxp B 93  ? 23.047 62.705 71.028  1 42.685  ? 101 B 1 .
ATOM 3969 C C    . ALA Bxp B 93  ? 23.164 61.475 70.137  1 40.641  ? 101 B 1 .
ATOM 3970 O O    . ALA Bxp B 93  ? 24.237 61.183 69.619  1 41.035  ? 101 B 1 .
ATOM 3971 C CB   . ALA Bxp B 93  ? 22.804 63.935 70.191  1 43.682  ? 101 B 1 .
ATOM 3972 H H    . ALA Bxp B 93  ? 24.996 63.223 71.446  1 46.225  ? 101 B 1 c
ATOM 3973 H HA   . ALA Bxp B 93  ? 22.276 62.576 71.64   1 43.646  ? 101 B 1 c
ATOM 3974 H HB3  . ALA Bxp B 93  ? 22.037 63.79  69.612  1 43.385  ? 101 B 1 c
ATOM 3975 H HB2  . ALA Bxp B 93  ? 23.587 64.12  69.646  1 43.397  ? 101 B 1 c
ATOM 3976 H HB1  . ALA Bxp B 93  ? 22.629 64.696 70.77   1 43.455  ? 101 B 1 c
ATOM 3977 N N    . VAL Bxp B 94  ? 22.046 60.768 69.955  1 44.372  ? 102 B 1 .
ATOM 3978 C CA   . VAL Bxp B 94  ? 22.018 59.608 69.081  1 49.053  ? 102 B 1 .
ATOM 3979 C C    . VAL Bxp B 94  ? 20.777 59.665 68.218  1 51.314  ? 102 B 1 .
ATOM 3980 O O    . VAL Bxp B 94  ? 19.715 59.909 68.774  1 50.017  ? 102 B 1 .
ATOM 3981 C CB   . VAL Bxp B 94  ? 21.973 58.297 69.869  1 52.476  ? 102 B 1 .
ATOM 3982 C CG1  . VAL Bxp B 94  ? 22.188 57.129 68.923  1 54.476  ? 102 B 1 .
ATOM 3983 C CG2  . VAL Bxp B 94  ? 22.967 58.276 71.015  1 55.976  ? 102 B 1 .
ATOM 3984 H H    . VAL Bxp B 94  ? 21.279 61.014 70.387  1 44.469  ? 102 B 1 c
ATOM 3985 H HA   . VAL Bxp B 94  ? 22.808 59.615 68.51   1 49.093  ? 102 B 1 c
ATOM 3986 H HB   . VAL Bxp B 94  ? 21.068 58.215 70.252  1 52.795  ? 102 B 1 c
ATOM 3987 H HG11 . VAL Bxp B 94  ? 22.968 57.299 68.368  1 53.781  ? 102 B 1 c
ATOM 3988 H HG12 . VAL Bxp B 94  ? 21.407 57.018 68.356  1 53.843  ? 102 B 1 c
ATOM 3989 H HG13 . VAL Bxp B 94  ? 22.33  56.316 69.437  1 53.87   ? 102 B 1 c
ATOM 3990 H HG21 . VAL Bxp B 94  ? 23.067 57.367 71.343  1 54.893  ? 102 B 1 c
ATOM 3991 H HG22 . VAL Bxp B 94  ? 22.646 58.845 71.734  1 54.852  ? 102 B 1 c
ATOM 3992 H HG23 . VAL Bxp B 94  ? 23.828 58.603 70.704  1 54.9    ? 102 B 1 c
ATOM 3993 N N    . HIS Bxp B 95  ? 20.892 59.342 66.915  1 58.086  ? 103 B 1 .
ATOM 3994 C CA   . HIS Bxp B 95  ? 19.713 59.37  66.054  1 59.391  ? 103 B 1 .
ATOM 3995 C C    . HIS Bxp B 95  ? 19.788 58.432 64.851  1 56.657  ? 103 B 1 .
ATOM 3996 O O    . HIS Bxp B 95  ? 20.875 58.076 64.404  1 66.183  ? 103 B 1 .
ATOM 3997 C CB   . HIS Bxp B 95  ? 19.434 60.807 65.615  1 57.217  ? 103 B 1 .
ATOM 3998 C CG   . HIS Bxp B 95  ? 20.33  61.317 64.563  1 53.451  ? 103 B 1 .
ATOM 3999 N ND1  . HIS Bxp B 95  ? 20.331 60.762 63.304  1 52.452  ? 103 B 1 .
ATOM 4000 C CD2  . HIS Bxp B 95  ? 21.143 62.377 64.531  1 52.531  ? 103 B 1 .
ATOM 4001 C CE1  . HIS Bxp B 95  ? 21.182 61.439 62.55   1 54.727  ? 103 B 1 .
ATOM 4002 N NE2  . HIS Bxp B 95  ? 21.686 62.431 63.279  1 53.088  ? 103 B 1 .
ATOM 4003 H H    . HIS Bxp B 95  ? 21.702 59.105 66.565  1 56.548  ? 103 B 1 c
ATOM 4004 H HA   . HIS Bxp B 95  ? 18.947 59.08  66.608  1 58.129  ? 103 B 1 c
ATOM 4005 H HB3  . HIS Bxp B 95  ? 19.501 61.393 66.4    1 56.747  ? 103 B 1 c
ATOM 4006 H HB2  . HIS Bxp B 95  ? 18.511 60.857 65.29   1 56.741  ? 103 B 1 c
ATOM 4007 H HD1  . HIS Bxp B 95  ? 20.018 59.968 63.106  0 41.91   ? 103 B 1 c
ATOM 4008 H HD2  . HIS Bxp B 95  ? 21.332 62.955 65.243  1 53.018  ? 103 B 1 c
ATOM 4009 H HE1  . HIS Bxp B 95  ? 21.391 61.252 61.651  1 53.776  ? 103 B 1 c
ATOM 4010 H HE2  . HIS Bxp B 95  ? 22.174 63.102 62.939  0 41.91   ? 103 B 1 c
ATOM 4011 N N    . CYS Bxp B 96  ? 18.602 58.09  64.31   1 58.065  ? 104 B 1 .
ATOM 4012 C CA   . CYS Bxp B 96  ? 18.465 57.261 63.109  1 60.323  ? 104 B 1 .
ATOM 4013 C C    . CYS Bxp B 96  ? 18.065 58.064 61.867  1 61.669  ? 104 B 1 .
ATOM 4014 O O    . CYS Bxp B 96  ? 18.805 58.956 61.449  1 55.622  ? 104 B 1 .
ATOM 4015 C CB   . CYS Bxp B 96  ? 17.426 56.168 63.279  1 60.158  ? 104 B 1 .
ATOM 4016 S SG   . CYS Bxp B 96  ? 18.041 54.546 62.775  1 65.592  ? 104 B 1 .
ATOM 4017 H H    . CYS Bxp B 96  ? 17.839 58.391 64.712  1 58.231  ? 104 B 1 c
ATOM 4018 H HA   . CYS Bxp B 96  ? 19.337 56.839 62.941  1 60.304  ? 104 B 1 c
ATOM 4019 H HB3  . CYS Bxp B 96  ? 16.62  56.375 62.764  1 61.43   ? 104 B 1 c
ATOM 4020 H HB2  . CYS Bxp B 96  ? 17.171 56.119 64.226  1 61.536  ? 104 B 1 c
ATOM 4021 N N    . VAL Bxp B 97  ? 16.892 57.759 61.272  1 71.645  ? 105 B 1 .
ATOM 4022 C CA   . VAL Bxp B 97  ? 16.443 58.472 60.08   1 78.961  ? 105 B 1 .
ATOM 4023 C C    . VAL Bxp B 97  ? 14.918 58.472 59.903  1 83.165  ? 105 B 1 .
ATOM 4024 O O    . VAL Bxp B 97  ? 14.31  59.525 59.734  1 78.425  ? 105 B 1 .
ATOM 4025 C CB   . VAL Bxp B 97  ? 17.147 57.843 58.874  1 73.898  ? 105 B 1 .
ATOM 4026 C CG1  . VAL Bxp B 97  ? 16.769 56.374 58.685  1 77.396  ? 105 B 1 .
ATOM 4027 C CG2  . VAL Bxp B 97  ? 16.886 58.683 57.639  1 71.91   ? 105 B 1 .
ATOM 4028 H H    . VAL Bxp B 97  ? 16.359 57.102 61.611  1 70.741  ? 105 B 1 c
ATOM 4029 H HA   . VAL Bxp B 97  ? 16.736 59.395 60.153  1 76.765  ? 105 B 1 c
ATOM 4030 H HB   . VAL Bxp B 97  ? 18.115 57.878 59.054  1 74.899  ? 105 B 1 c
ATOM 4031 H HG11 . VAL Bxp B 97  ? 15.952 56.311 58.163  1 76.538  ? 105 B 1 c
ATOM 4032 H HG12 . VAL Bxp B 97  ? 16.635 55.955 59.55   1 76.518  ? 105 B 1 c
ATOM 4033 H HG13 . VAL Bxp B 97  ? 17.485 55.915 58.215  1 76.419  ? 105 B 1 c
ATOM 4034 H HG21 . VAL Bxp B 97  ? 17.603 58.546 56.996  1 72.522  ? 105 B 1 c
ATOM 4035 H HG22 . VAL Bxp B 97  ? 16.849 59.622 57.884  1 72.557  ? 105 B 1 c
ATOM 4036 H HG23 . VAL Bxp B 97  ? 16.04  58.42  57.239  1 72.579  ? 105 B 1 c
ATOM 4037 N N    . ALA Bxp B 98  ? 14.283 57.294 59.949  1 92.688  ? 106 B 1 .
ATOM 4038 C CA   . ALA Bxp B 98  ? 12.827 57.212 60.004  1 94.125  ? 106 B 1 .
ATOM 4039 C C    . ALA Bxp B 98  ? 12.306 57.776 61.326  1 97.54   ? 106 B 1 .
ATOM 4040 O O    . ALA Bxp B 98  ? 11.102 57.915 61.488  1 107.49  ? 106 B 1 .
ATOM 4041 C CB   . ALA Bxp B 98  ? 12.356 55.773 59.832  1 90.368  ? 106 B 1 .
ATOM 4042 H H    . ALA Bxp B 98  ? 14.765 56.52  59.983  1 89.984  ? 106 B 1 c
ATOM 4043 H HA   . ALA Bxp B 98  ? 12.455 57.766 59.262  1 93.615  ? 106 B 1 c
ATOM 4044 H HB3  . ALA Bxp B 98  ? 11.385 55.744 59.833  1 91.457  ? 106 B 1 c
ATOM 4045 H HB2  . ALA Bxp B 98  ? 12.695 55.228 60.562  1 91.457  ? 106 B 1 c
ATOM 4046 H HB1  . ALA Bxp B 98  ? 12.687 55.419 58.989  1 91.457  ? 106 B 1 c
ATOM 4047 N N    . GLY Bxp B 99  ? 13.212 58.039 62.28   1 107.752 ? 107 B 1 .
ATOM 4048 C CA   . GLY Bxp B 99  ? 12.858 58.393 63.648  1 108.191 ? 107 B 1 .
ATOM 4049 C C    . GLY Bxp B 99  ? 13.211 57.282 64.642  1 94.337  ? 107 B 1 .
ATOM 4050 O O    . GLY Bxp B 99  ? 12.611 56.213 64.611  1 92.28   ? 107 B 1 .
ATOM 4051 H H    . GLY Bxp B 99  ? 14.1   57.98  62.074  1 104.944 ? 107 B 1 c
ATOM 4052 H HA3  . GLY Bxp B 99  ? 11.891 58.577 63.695  1 104.769 ? 107 B 1 c
ATOM 4053 H HA2  . GLY Bxp B 99  ? 13.333 59.22  63.896  1 104.602 ? 107 B 1 c
ATOM 4054 N N    . LEU Bxp B 100 ? 14.163 57.562 65.544  1 86.491  ? 108 B 1 .
ATOM 4055 C CA   . LEU Bxp B 100 ? 14.502 56.675 66.649  1 93.235  ? 108 B 1 .
ATOM 4056 C C    . LEU Bxp B 100 ? 15.084 55.365 66.117  1 94.773  ? 108 B 1 .
ATOM 4057 O O    . LEU Bxp B 100 ? 16.303 55.172 66.124  1 95.43   ? 108 B 1 .
ATOM 4058 C CB   . LEU Bxp B 100 ? 13.327 56.416 67.597  1 93.847  ? 108 B 1 .
ATOM 4059 C CG   . LEU Bxp B 100 ? 12.644 57.654 68.198  1 108.885 ? 108 B 1 .
ATOM 4060 C CD1  . LEU Bxp B 100 ? 13.608 58.788 68.526  1 92.149  ? 108 B 1 .
ATOM 4061 C CD2  . LEU Bxp B 100 ? 11.524 58.18  67.304  1 127.875 ? 108 B 1 .
ATOM 4062 H H    . LEU Bxp B 100 ? 14.626 58.346 65.463  1 90.043  ? 108 B 1 c
ATOM 4063 H HA   . LEU Bxp B 100 ? 15.222 57.118 67.166  1 92.307  ? 108 B 1 c
ATOM 4064 H HB3  . LEU Bxp B 100 ? 13.651 55.853 68.337  1 96.952  ? 108 B 1 c
ATOM 4065 H HB2  . LEU Bxp B 100 ? 12.645 55.895 67.116  1 97.067  ? 108 B 1 c
ATOM 4066 H HG   . LEU Bxp B 100 ? 12.227 57.373 69.046  1 105.862 ? 108 B 1 c
ATOM 4067 H HD11 . LEU Bxp B 100 ? 14.426 58.421 68.896  1 95.011  ? 108 B 1 c
ATOM 4068 H HD12 . LEU Bxp B 100 ? 13.199 59.385 69.175  1 96.398  ? 108 B 1 c
ATOM 4069 H HD13 . LEU Bxp B 100 ? 13.815 59.284 67.716  1 96.521  ? 108 B 1 c
ATOM 4070 H HD21 . LEU Bxp B 100 ? 10.886 57.468 67.128  1 121.532 ? 108 B 1 c
ATOM 4071 H HD22 . LEU Bxp B 100 ? 11.896 58.495 66.466  1 121.356 ? 108 B 1 c
ATOM 4072 H HD23 . LEU Bxp B 100 ? 11.073 58.916 67.75   1 121.232 ? 108 B 1 c
ATOM 4073 N N    . GLY Bxp B 101 ? 14.198 54.46  65.688  1 88.797  ? 109 B 1 .
ATOM 4074 C CA   . GLY Bxp B 101 ? 14.597 53.139 65.241  1 83.297  ? 109 B 1 .
ATOM 4075 C C    . GLY Bxp B 101 ? 15.368 52.407 66.336  1 88.178  ? 109 B 1 .
ATOM 4076 O O    . GLY Bxp B 101 ? 14.778 51.795 67.231  1 88.505  ? 109 B 1 .
ATOM 4077 H H    . GLY Bxp B 101 ? 13.312 54.678 65.657  1 89.054  ? 109 B 1 c
ATOM 4078 H HA3  . GLY Bxp B 101 ? 15.161 53.225 64.436  1 85.646  ? 109 B 1 c
ATOM 4079 H HA2  . GLY Bxp B 101 ? 13.793 52.622 64.998  1 85.653  ? 109 B 1 c
ATOM 4080 N N    . ARG Bxp B 102 ? 16.7   52.511 66.269  1 85.549  ? 110 B 1 .
ATOM 4081 C CA   . ARG Bxp B 102 ? 17.585 51.709 67.098  1 79.548  ? 110 B 1 .
ATOM 4082 C C    . ARG Bxp B 102 ? 18.512 52.588 67.937  1 69.25   ? 110 B 1 .
ATOM 4083 O O    . ARG Bxp B 102 ? 19.309 52.075 68.725  1 73.36   ? 110 B 1 .
ATOM 4084 C CB   . ARG Bxp B 102 ? 18.371 50.686 66.266  1 87.439  ? 110 B 1 .
ATOM 4085 C CG   . ARG Bxp B 102 ? 18.795 51.111 64.87   1 94.337  ? 110 B 1 .
ATOM 4086 C CD   . ARG Bxp B 102 ? 17.601 51.017 63.914  1 115.215 ? 110 B 1 .
ATOM 4087 N NE   . ARG Bxp B 102 ? 17.871 51.511 62.559  1 112.83  ? 110 B 1 .
ATOM 4088 C CZ   . ARG Bxp B 102 ? 18.789 50.996 61.764  1 110.378 ? 110 B 1 .
ATOM 4089 N NH1  . ARG Bxp B 102 ? 19.565 50.005 62.169  1 112.292 ? 110 B 1 .
ATOM 4090 N NH2  . ARG Bxp B 102 ? 18.926 51.484 60.555  1 119.726 ? 110 B 1 .
ATOM 4091 H H    . ARG Bxp B 102 ? 17.068 53.111 65.686  1 84.669  ? 110 B 1 c
ATOM 4092 H HA   . ARG Bxp B 102 ? 17.022 51.191 67.726  1 79.682  ? 110 B 1 c
ATOM 4093 H HB3  . ARG Bxp B 102 ? 17.821 49.878 66.186  1 87.312  ? 110 B 1 c
ATOM 4094 H HB2  . ARG Bxp B 102 ? 19.176 50.437 66.768  1 86.94   ? 110 B 1 c
ATOM 4095 H HG3  . ARG Bxp B 102 ? 19.518 50.528 64.556  1 97.21   ? 110 B 1 c
ATOM 4096 H HG2  . ARG Bxp B 102 ? 19.123 52.036 64.891  1 96.857  ? 110 B 1 c
ATOM 4097 H HD3  . ARG Bxp B 102 ? 16.849 51.513 64.282  1 109.051 ? 110 B 1 c
ATOM 4098 H HD2  . ARG Bxp B 102 ? 17.328 50.079 63.858  1 109.337 ? 110 B 1 c
ATOM 4099 H HE   . ARG Bxp B 102 ? 17.4   52.182 62.264  1 112.865 ? 110 B 1 c
ATOM 4100 H HH11 . ARG Bxp B 102 ? 19.287 49.435 62.776  1 111.376 ? 110 B 1 c
ATOM 4101 H HH12 . ARG Bxp B 102 ? 20.372 49.921 61.82   1 111.514 ? 110 B 1 c
ATOM 4102 H HH21 . ARG Bxp B 102 ? 18.943 52.36  60.434  1 116.737 ? 110 B 1 c
ATOM 4103 H HH22 . ARG Bxp B 102 ? 19.002 50.936 59.866  1 116.76  ? 110 B 1 c
ATOM 4104 N N    . ALA Bxp B 103 ? 18.38  53.911 67.815  1 58.49   ? 111 B 1 .
ATOM 4105 C CA   . ALA Bxp B 103 ? 19.108 54.801 68.704  1 56.612  ? 111 B 1 .
ATOM 4106 C C    . ALA Bxp B 103 ? 18.989 54.3   70.148  1 53.324  ? 111 B 1 .
ATOM 4107 O O    . ALA Bxp B 103 ? 19.982 53.911 70.744  1 54.756  ? 111 B 1 .
ATOM 4108 C CB   . ALA Bxp B 103 ? 18.638 56.226 68.511  1 52.974  ? 111 B 1 .
ATOM 4109 H H    . ALA Bxp B 103 ? 17.838 54.269 67.173  1 60.835  ? 111 B 1 c
ATOM 4110 H HA   . ALA Bxp B 103 ? 20.071 54.753 68.451  1 55.661  ? 111 B 1 c
ATOM 4111 H HB3  . ALA Bxp B 103 ? 18.76  56.724 69.336  1 53.947  ? 111 B 1 c
ATOM 4112 H HB2  . ALA Bxp B 103 ? 17.699 56.235 68.265  1 54.177  ? 111 B 1 c
ATOM 4113 H HB1  . ALA Bxp B 103 ? 19.157 56.646 67.805  1 54.039  ? 111 B 1 c
ATOM 4114 N N    . PRO Bxp B 104 ? 17.765 54.131 70.689  1 54.02   ? 112 B 1 .
ATOM 4115 C CA   . PRO Bxp B 104 ? 17.545 53.567 72.01   1 55.02   ? 112 B 1 .
ATOM 4116 C C    . PRO Bxp B 104 ? 18.396 52.356 72.35   1 54.36   ? 112 B 1 .
ATOM 4117 O O    . PRO Bxp B 104 ? 18.775 52.179 73.507  1 57.845  ? 112 B 1 .
ATOM 4118 C CB   . PRO Bxp B 104 ? 16.094 53.123 71.955  1 58.989  ? 112 B 1 .
ATOM 4119 C CG   . PRO Bxp B 104 ? 15.518 54.263 71.147  1 65.349  ? 112 B 1 .
ATOM 4120 C CD   . PRO Bxp B 104 ? 16.491 54.4   70.019  1 63.774  ? 112 B 1 .
ATOM 4121 H HA   . PRO Bxp B 104 ? 17.662 54.261 72.692  1 55.403  ? 112 B 1 c
ATOM 4122 H HB3  . PRO Bxp B 104 ? 15.699 53.078 72.848  1 59.425  ? 112 B 1 c
ATOM 4123 H HB2  . PRO Bxp B 104 ? 15.997 52.268 71.492  1 59.402  ? 112 B 1 c
ATOM 4124 H HG3  . PRO Bxp B 104 ? 15.474 55.086 71.674  1 63.454  ? 112 B 1 c
ATOM 4125 H HG2  . PRO Bxp B 104 ? 14.624 54.046 70.814  1 63.495  ? 112 B 1 c
ATOM 4126 H HD3  . PRO Bxp B 104 ? 16.317 53.747 69.316  1 61.677  ? 112 B 1 c
ATOM 4127 H HD2  . PRO Bxp B 104 ? 16.472 55.299 69.644  1 61.552  ? 112 B 1 c
ATOM 4128 N N    . VAL Bxp B 105 ? 18.735 51.562 71.339  1 49.732  ? 113 B 1 .
ATOM 4129 C CA   . VAL Bxp B 105 ? 19.475 50.346 71.592  1 51.948  ? 113 B 1 .
ATOM 4130 C C    . VAL Bxp B 105 ? 20.816 50.659 72.245  1 52.506  ? 113 B 1 .
ATOM 4131 O O    . VAL Bxp B 105 ? 21.222 49.927 73.146  1 58.288  ? 113 B 1 .
ATOM 4132 C CB   . VAL Bxp B 105 ? 19.671 49.477 70.345  1 54.864  ? 113 B 1 .
ATOM 4133 C CG1  . VAL Bxp B 105 ? 20.429 48.205 70.707  1 56.935  ? 113 B 1 .
ATOM 4134 C CG2  . VAL Bxp B 105 ? 18.33  49.135 69.71   1 56.02   ? 113 B 1 .
ATOM 4135 H H    . VAL Bxp B 105 ? 18.491 51.77  70.484  1 51.529  ? 113 B 1 c
ATOM 4136 H HA   . VAL Bxp B 105 ? 18.956 49.822 72.231  1 52.256  ? 113 B 1 c
ATOM 4137 H HB   . VAL Bxp B 105 ? 20.21  49.992 69.701  1 54.99   ? 113 B 1 c
ATOM 4138 H HG11 . VAL Bxp B 105 ? 20.16  47.905 71.591  1 56.238  ? 113 B 1 c
ATOM 4139 H HG12 . VAL Bxp B 105 ? 21.385 48.383 70.703  1 56.279  ? 113 B 1 c
ATOM 4140 H HG13 . VAL Bxp B 105 ? 20.23  47.511 70.056  1 56.29   ? 113 B 1 c
ATOM 4141 H HG21 . VAL Bxp B 105 ? 18.469 48.532 68.961  1 55.721  ? 113 B 1 c
ATOM 4142 H HG22 . VAL Bxp B 105 ? 17.901 49.947 69.394  1 55.847  ? 113 B 1 c
ATOM 4143 H HG23 . VAL Bxp B 105 ? 17.76  48.705 70.369  1 55.718  ? 113 B 1 c
ATOM 4144 N N    . LEU Bxp B 106 ? 21.51  51.705 71.781  1 51.946  ? 114 B 1 .
ATOM 4145 C CA   . LEU Bxp B 106 ? 22.813 52.07  72.343  1 51.405  ? 114 B 1 .
ATOM 4146 C C    . LEU Bxp B 106 ? 22.698 52.706 73.732  1 47.864  ? 114 B 1 .
ATOM 4147 O O    . LEU Bxp B 106 ? 23.509 52.452 74.612  1 53.121  ? 114 B 1 .
ATOM 4148 C CB   . LEU Bxp B 106 ? 23.571 53     71.396  1 49.164  ? 114 B 1 .
ATOM 4149 C CG   . LEU Bxp B 106 ? 24.212 52.336 70.176  1 42.026  ? 114 B 1 .
ATOM 4150 C CD1  . LEU Bxp B 106 ? 25.23  53.242 69.506  1 42.032  ? 114 B 1 .
ATOM 4151 C CD2  . LEU Bxp B 106 ? 24.87  51.052 70.619  1 40.24   ? 114 B 1 .
ATOM 4152 H H    . LEU Bxp B 106 ? 21.17  52.203 71.094  1 51.89   ? 114 B 1 c
ATOM 4153 H HA   . LEU Bxp B 106 ? 23.331 51.237 72.45   1 50.263  ? 114 B 1 c
ATOM 4154 H HB3  . LEU Bxp B 106 ? 24.278 53.452 71.909  1 47.854  ? 114 B 1 c
ATOM 4155 H HB2  . LEU Bxp B 106 ? 22.946 53.693 71.08   1 47.935  ? 114 B 1 c
ATOM 4156 H HG   . LEU Bxp B 106 ? 23.499 52.12  69.522  1 42.91   ? 114 B 1 c
ATOM 4157 H HD11 . LEU Bxp B 106 ? 24.818 54.097 69.298  1 42.03   ? 114 B 1 c
ATOM 4158 H HD12 . LEU Bxp B 106 ? 25.544 52.826 68.685  1 42.03   ? 114 B 1 c
ATOM 4159 H HD13 . LEU Bxp B 106 ? 25.983 53.383 70.104  1 42.03   ? 114 B 1 c
ATOM 4160 H HD21 . LEU Bxp B 106 ? 24.201 50.351 70.695  1 40.921  ? 114 B 1 c
ATOM 4161 H HD22 . LEU Bxp B 106 ? 25.302 51.184 71.479  1 40.953  ? 114 B 1 c
ATOM 4162 H HD23 . LEU Bxp B 106 ? 25.537 50.787 69.963  1 40.837  ? 114 B 1 c
ATOM 4163 N N    . VAL Bxp B 107 ? 21.714 53.572 73.922  1 44.442  ? 115 B 1 .
ATOM 4164 C CA   . VAL Bxp B 107 ? 21.478 54.163 75.22   1 42.976  ? 115 B 1 .
ATOM 4165 C C    . VAL Bxp B 107 ? 21.183 53.018 76.183  1 42.047  ? 115 B 1 .
ATOM 4166 O O    . VAL Bxp B 107 ? 21.665 53     77.301  1 46.363  ? 115 B 1 .
ATOM 4167 C CB   . VAL Bxp B 107 ? 20.342 55.215 75.235  1 40.943  ? 115 B 1 .
ATOM 4168 C CG1  . VAL Bxp B 107 ? 20.104 55.764 76.634  1 41.03   ? 115 B 1 .
ATOM 4169 C CG2  . VAL Bxp B 107 ? 20.588 56.377 74.288  1 36.752  ? 115 B 1 .
ATOM 4170 H H    . VAL Bxp B 107 ? 21.17  53.802 73.224  1 44.84   ? 115 B 1 c
ATOM 4171 H HA   . VAL Bxp B 107 ? 22.302 54.601 75.508  1 42.779  ? 115 B 1 c
ATOM 4172 H HB   . VAL Bxp B 107 ? 19.518 54.758 74.946  1 40.498  ? 115 B 1 c
ATOM 4173 H HG11 . VAL Bxp B 107 ? 20.952 55.841 77.102  1 41.019  ? 115 B 1 c
ATOM 4174 H HG12 . VAL Bxp B 107 ? 19.518 55.163 77.123  1 41.061  ? 115 B 1 c
ATOM 4175 H HG13 . VAL Bxp B 107 ? 19.688 56.641 76.574  1 40.972  ? 115 B 1 c
ATOM 4176 H HG21 . VAL Bxp B 107 ? 19.803 56.95  74.266  1 37.983  ? 115 B 1 c
ATOM 4177 H HG22 . VAL Bxp B 107 ? 20.764 56.038 73.395  1 38.027  ? 115 B 1 c
ATOM 4178 H HG23 . VAL Bxp B 107 ? 21.353 56.891 74.596  1 37.967  ? 115 B 1 c
ATOM 4179 N N    . ALA Bxp B 108 ? 20.353 52.07  75.773  1 41.929  ? 116 B 1 .
ATOM 4180 C CA   . ALA Bxp B 108 ? 20.037 50.972 76.666  1 48.682  ? 116 B 1 .
ATOM 4181 C C    . ALA Bxp B 108 ? 21.34  50.332 77.145  1 47.386  ? 116 B 1 .
ATOM 4182 O O    . ALA Bxp B 108 ? 21.5   49.931 78.303  1 40.176  ? 116 B 1 .
ATOM 4183 C CB   . ALA Bxp B 108 ? 19.154 49.974 75.94   1 54.374  ? 116 B 1 .
ATOM 4184 H H    . ALA Bxp B 108 ? 19.975 52.103 74.941  1 43.527  ? 116 B 1 c
ATOM 4185 H HA   . ALA Bxp B 108 ? 19.551 51.335 77.457  1 47.999  ? 116 B 1 c
ATOM 4186 H HB3  . ALA Bxp B 108 ? 18.748 49.369 76.584  1 52.622  ? 116 B 1 c
ATOM 4187 H HB2  . ALA Bxp B 108 ? 19.688 49.461 75.311  1 52.621  ? 116 B 1 c
ATOM 4188 H HB1  . ALA Bxp B 108 ? 18.456 50.445 75.459  1 52.615  ? 116 B 1 c
ATOM 4189 N N    . LEU Bxp B 109 ? 22.258 50.211 76.187  1 47.401  ? 117 B 1 .
ATOM 4190 C CA   . LEU Bxp B 109 ? 23.523 49.56  76.434  1 50.587  ? 117 B 1 .
ATOM 4191 C C    . LEU Bxp B 109 ? 24.305 50.331 77.489  1 46.973  ? 117 B 1 .
ATOM 4192 O O    . LEU Bxp B 109 ? 24.892 49.737 78.384  1 50.639  ? 117 B 1 .
ATOM 4193 C CB   . LEU Bxp B 109 ? 24.238 49.466 75.089  1 52.127  ? 117 B 1 .
ATOM 4194 C CG   . LEU Bxp B 109 ? 24.43  48.044 74.564  1 57.744  ? 117 B 1 .
ATOM 4195 C CD1  . LEU Bxp B 109 ? 23.28  47.138 74.915  1 58.382  ? 117 B 1 .
ATOM 4196 C CD2  . LEU Bxp B 109 ? 24.613 48.114 73.068  1 60.809  ? 117 B 1 .
ATOM 4197 H H    . LEU Bxp B 109 ? 22.077 50.523 75.348  1 48.096  ? 117 B 1 c
ATOM 4198 H HA   . LEU Bxp B 109 ? 23.344 48.653 76.782  1 49.678  ? 117 B 1 c
ATOM 4199 H HB3  . LEU Bxp B 109 ? 25.123 49.888 75.178  1 52.95   ? 117 B 1 c
ATOM 4200 H HB2  . LEU Bxp B 109 ? 23.725 49.977 74.422  1 52.967  ? 117 B 1 c
ATOM 4201 H HG   . LEU Bxp B 109 ? 25.258 47.671 74.965  1 57.335  ? 117 B 1 c
ATOM 4202 H HD11 . LEU Bxp B 109 ? 23.414 46.769 75.805  1 58.047  ? 117 B 1 c
ATOM 4203 H HD12 . LEU Bxp B 109 ? 23.232 46.411 74.272  1 58.156  ? 117 B 1 c
ATOM 4204 H HD13 . LEU Bxp B 109 ? 22.448 47.64  74.893  1 58.025  ? 117 B 1 c
ATOM 4205 H HD21 . LEU Bxp B 109 ? 25.305 48.763 72.855  1 59.819  ? 117 B 1 c
ATOM 4206 H HD22 . LEU Bxp B 109 ? 23.777 48.384 72.651  1 59.817  ? 117 B 1 c
ATOM 4207 H HD23 . LEU Bxp B 109 ? 24.874 47.241 72.731  1 59.847  ? 117 B 1 c
ATOM 4208 N N    . ALA Bxp B 110 ? 24.312 51.657 77.374  1 42.242  ? 118 B 1 .
ATOM 4209 C CA   . ALA Bxp B 110 ? 25.04  52.477 78.323  1 43.975  ? 118 B 1 .
ATOM 4210 C C    . ALA Bxp B 110 ? 24.437 52.293 79.707  1 40.906  ? 118 B 1 .
ATOM 4211 O O    . ALA Bxp B 110 ? 25.148 52.243 80.701  1 42.741  ? 118 B 1 .
ATOM 4212 C CB   . ALA Bxp B 110 ? 25.014 53.936 77.917  1 47.027  ? 118 B 1 .
ATOM 4213 H H    . ALA Bxp B 110 ? 23.863 52.061 76.687  1 43.815  ? 118 B 1 c
ATOM 4214 H HA   . ALA Bxp B 110 ? 25.986 52.162 78.349  1 43.638  ? 118 B 1 c
ATOM 4215 H HB3  . ALA Bxp B 110 ? 25.682 54.427 78.423  1 46.139  ? 118 B 1 c
ATOM 4216 H HB2  . ALA Bxp B 110 ? 24.135 54.31  78.096  1 46.078  ? 118 B 1 c
ATOM 4217 H HB1  . ALA Bxp B 110 ? 25.209 54.014 76.968  1 46.09   ? 118 B 1 c
ATOM 4218 N N    . LEU Bxp B 111 ? 23.113 52.197 79.751  1 37.161  ? 119 B 1 .
ATOM 4219 C CA   . LEU Bxp B 111 ? 22.441 52.024 81.013  1 38.126  ? 119 B 1 .
ATOM 4220 C C    . LEU Bxp B 111 ? 22.798 50.666 81.613  1 39.12   ? 119 B 1 .
ATOM 4221 O O    . LEU Bxp B 111 ? 23.063 50.563 82.796  1 40.075  ? 119 B 1 .
ATOM 4222 C CB   . LEU Bxp B 111 ? 20.944 52.127 80.785  1 42.164  ? 119 B 1 .
ATOM 4223 C CG   . LEU Bxp B 111 ? 20.39  53.496 80.423  1 44.39   ? 119 B 1 .
ATOM 4224 C CD1  . LEU Bxp B 111 ? 18.881 53.355 80.615  1 47.331  ? 119 B 1 .
ATOM 4225 C CD2  . LEU Bxp B 111 ? 20.998 54.604 81.256  1 45.763  ? 119 B 1 .
ATOM 4226 H H    . LEU Bxp B 111 ? 22.62  52.249 78.984  1 38.397  ? 119 B 1 c
ATOM 4227 H HA   . LEU Bxp B 111 ? 22.735 52.738 81.633  1 38.957  ? 119 B 1 c
ATOM 4228 H HB3  . LEU Bxp B 111 ? 20.491 51.818 81.604  1 41.699  ? 119 B 1 c
ATOM 4229 H HB2  . LEU Bxp B 111 ? 20.699 51.496 80.07   1 41.687  ? 119 B 1 c
ATOM 4230 H HG   . LEU Bxp B 111 ? 20.576 53.673 79.466  1 44.753  ? 119 B 1 c
ATOM 4231 H HD11 . LEU Bxp B 111 ? 18.589 52.485 80.294  1 46.314  ? 119 B 1 c
ATOM 4232 H HD12 . LEU Bxp B 111 ? 18.424 54.052 80.115  1 46.41   ? 119 B 1 c
ATOM 4233 H HD13 . LEU Bxp B 111 ? 18.664 53.44  81.558  1 46.389  ? 119 B 1 c
ATOM 4234 H HD21 . LEU Bxp B 111 ? 21.876 54.829 80.907  1 45.252  ? 119 B 1 c
ATOM 4235 H HD22 . LEU Bxp B 111 ? 21.082 54.309 82.178  1 45.265  ? 119 B 1 c
ATOM 4236 H HD23 . LEU Bxp B 111 ? 20.425 55.388 81.22   1 45.315  ? 119 B 1 c
ATOM 4237 N N    . ILE Bxp B 112 ? 22.742 49.601 80.822  1 39.877  ? 120 B 1 .
ATOM 4238 C CA   . ILE Bxp B 112 ? 23.009 48.28  81.366  1 43.028  ? 120 B 1 .
ATOM 4239 C C    . ILE Bxp B 112 ? 24.454 48.238 81.851  1 45.8    ? 120 B 1 .
ATOM 4240 O O    . ILE Bxp B 112 ? 24.737 47.838 82.973  1 50.466  ? 120 B 1 .
ATOM 4241 C CB   . ILE Bxp B 112 ? 22.711 47.185 80.325  1 43.125  ? 120 B 1 .
ATOM 4242 C CG1  . ILE Bxp B 112 ? 21.242 47.188 79.929  1 46.249  ? 120 B 1 .
ATOM 4243 C CG2  . ILE Bxp B 112 ? 23.149 45.817 80.825  1 39.137  ? 120 B 1 .
ATOM 4244 C CD1  . ILE Bxp B 112 ? 20.894 46.246 78.797  1 45.367  ? 120 B 1 .
ATOM 4245 H H    . ILE Bxp B 112 ? 22.544 49.693 79.934  1 40.427  ? 120 B 1 c
ATOM 4246 H HA   . ILE Bxp B 112 ? 22.422 48.142 82.131  1 42.899  ? 120 B 1 c
ATOM 4247 H HB   . ILE Bxp B 112 ? 23.233 47.391 79.523  1 42.889  ? 120 B 1 c
ATOM 4248 H HG12 . ILE Bxp B 112 ? 20.985 48.095 79.67   1 45.211  ? 120 B 1 c
ATOM 4249 H HG13 . ILE Bxp B 112 ? 20.71  46.943 80.713  1 45.293  ? 120 B 1 c
ATOM 4250 H HG21 . ILE Bxp B 112 ? 22.65  45.122 80.366  1 40.394  ? 120 B 1 c
ATOM 4251 H HG22 . ILE Bxp B 112 ? 22.986 45.751 81.78   1 40.381  ? 120 B 1 c
ATOM 4252 H HG23 . ILE Bxp B 112 ? 24.098 45.696 80.652  1 40.34   ? 120 B 1 c
ATOM 4253 H HD11 . ILE Bxp B 112 ? 21.628 46.224 78.153  1 45.635  ? 120 B 1 c
ATOM 4254 H HD12 . ILE Bxp B 112 ? 20.083 46.555 78.352  1 45.635  ? 120 B 1 c
ATOM 4255 H HD13 . ILE Bxp B 112 ? 20.748 45.348 79.149  1 45.666  ? 120 B 1 c
ATOM 4256 N N    . GLU Bxp B 113 ? 25.374 48.67  80.99   1 53.44   ? 121 B 1 .
ATOM 4257 C CA   . GLU Bxp B 113 ? 26.782 48.687 81.332  1 52.637  ? 121 B 1 .
ATOM 4258 C C    . GLU Bxp B 113 ? 26.953 49.555 82.569  1 54.779  ? 121 B 1 .
ATOM 4259 O O    . GLU Bxp B 113 ? 27.886 49.398 83.358  1 60.087  ? 121 B 1 .
ATOM 4260 C CB   . GLU Bxp B 113 ? 27.583 49.227 80.156  1 52.958  ? 121 B 1 .
ATOM 4261 C CG   . GLU Bxp B 113 ? 28.954 48.572 80.088  1 60.865  ? 121 B 1 .
ATOM 4262 C CD   . GLU Bxp B 113 ? 28.835 47.076 79.875  1 59.226  ? 121 B 1 .
ATOM 4263 O OE1  . GLU Bxp B 113 ? 28.29  46.547 78.877  1 48.252  ? 121 B 1 .
ATOM 4264 O OE2  . GLU Bxp B 113 ? 29.332 46.427 80.795  1 67.265  ? 121 B 1 .
ATOM 4265 H H    . GLU Bxp B 113 ? 25.116 48.96  80.162  1 51.226  ? 121 B 1 c
ATOM 4266 H HA   . GLU Bxp B 113 ? 27.063 47.762 81.547  1 53.311  ? 121 B 1 c
ATOM 4267 H HB3  . GLU Bxp B 113 ? 27.677 50.198 80.245  1 54.568  ? 121 B 1 c
ATOM 4268 H HB2  . GLU Bxp B 113 ? 27.102 49.044 79.324  1 54.529  ? 121 B 1 c
ATOM 4269 H HG3  . GLU Bxp B 113 ? 29.438 48.74  80.925  1 58.636  ? 121 B 1 c
ATOM 4270 H HG2  . GLU Bxp B 113 ? 29.468 48.962 79.354  1 58.489  ? 121 B 1 c
ATOM 4271 N N    . GLY Bxp B 114 ? 25.986 50.451 82.746  1 49.899  ? 122 B 1 .
ATOM 4272 C CA   . GLY Bxp B 114 ? 26.015 51.35  83.877  1 47.914  ? 122 B 1 .
ATOM 4273 C C    . GLY Bxp B 114 ? 25.346 50.754 85.105  1 47.239  ? 122 B 1 .
ATOM 4274 O O    . GLY Bxp B 114 ? 25.014 51.5   86.01   1 42.081  ? 122 B 1 .
ATOM 4275 H H    . GLY Bxp B 114 ? 25.321 50.541 82.128  1 50.472  ? 122 B 1 c
ATOM 4276 H HA3  . GLY Bxp B 114 ? 25.554 52.186 83.63   1 48.261  ? 122 B 1 c
ATOM 4277 H HA2  . GLY Bxp B 114 ? 26.949 51.573 84.088  1 48.401  ? 122 B 1 c
ATOM 4278 N N    . GLY Bxp B 115 ? 25.092 49.437 85.107  1 55.098  ? 123 B 1 .
ATOM 4279 C CA   . GLY Bxp B 115 ? 24.666 48.724 86.31   1 56.174  ? 123 B 1 .
ATOM 4280 C C    . GLY Bxp B 115 ? 23.159 48.498 86.415  1 46.365  ? 123 B 1 .
ATOM 4281 O O    . GLY Bxp B 115 ? 22.639 48.17  87.475  1 51.589  ? 123 B 1 .
ATOM 4282 H H    . GLY Bxp B 115 ? 25.189 48.96  84.335  1 53.163  ? 123 B 1 c
ATOM 4283 H HA3  . GLY Bxp B 115 ? 24.969 49.23  87.1    1 53.49   ? 123 B 1 c
ATOM 4284 H HA2  . GLY Bxp B 115 ? 25.12  47.85  86.329  1 53.76   ? 123 B 1 c
ATOM 4285 N N    . MET Bxp B 116 ? 22.481 48.605 85.29   1 43.699  ? 124 B 1 .
ATOM 4286 C CA   . MET Bxp B 116 ? 21.041 48.484 85.213  1 45.331  ? 124 B 1 .
ATOM 4287 C C    . MET Bxp B 116 ? 20.743 47.112 84.57   1 48.312  ? 124 B 1 .
ATOM 4288 O O    . MET Bxp B 116 ? 21.443 46.646 83.656  1 47.934  ? 124 B 1 .
ATOM 4289 C CB   . MET Bxp B 116 ? 20.54  49.737 84.461  1 39.815  ? 124 B 1 .
ATOM 4290 C CG   . MET Bxp B 116 ? 19.109 50.17  84.779  1 38.952  ? 124 B 1 .
ATOM 4291 S SD   . MET Bxp B 116 ? 18.422 51.535 83.814  1 40.472  ? 124 B 1 .
ATOM 4292 C CE   . MET Bxp B 116 ? 18.835 52.986 84.795  1 47.487  ? 124 B 1 .
ATOM 4293 H H    . MET Bxp B 116 ? 22.939 48.756 84.514  1 44.866  ? 124 B 1 c
ATOM 4294 H HA   . MET Bxp B 116 ? 20.674 48.487 86.133  1 44.532  ? 124 B 1 c
ATOM 4295 H HB3  . MET Bxp B 116 ? 20.606 49.564 83.497  1 40.799  ? 124 B 1 c
ATOM 4296 H HB2  . MET Bxp B 116 ? 21.144 50.482 84.667  1 40.81   ? 124 B 1 c
ATOM 4297 H HG3  . MET Bxp B 116 ? 19.065 50.418 85.724  1 39.482  ? 124 B 1 c
ATOM 4298 H HG2  . MET Bxp B 116 ? 18.528 49.4   84.658  1 39.445  ? 124 B 1 c
ATOM 4299 H HE3  . MET Bxp B 116 ? 19.742 53.274 84.581  1 45.606  ? 124 B 1 c
ATOM 4300 H HE2  . MET Bxp B 116 ? 18.779 52.764 85.743  1 45.578  ? 124 B 1 c
ATOM 4301 H HE1  . MET Bxp B 116 ? 18.209 53.704 84.591  1 45.614  ? 124 B 1 c
ATOM 4302 N N    . LYS Bxp B 117 ? 19.742 46.388 85.075  1 43.949  ? 125 B 1 .
ATOM 4303 C CA   . LYS Bxp B 117 ? 19.376 45.178 84.365  1 43.925  ? 125 B 1 .
ATOM 4304 C C    . LYS Bxp B 117 ? 18.705 45.601 83.06   1 43.025  ? 125 B 1 .
ATOM 4305 O O    . LYS Bxp B 117 ? 18.201 46.716 82.946  1 38.335  ? 125 B 1 .
ATOM 4306 C CB   . LYS Bxp B 117 ? 18.488 44.262 85.205  1 48.557  ? 125 B 1 .
ATOM 4307 C CG   . LYS Bxp B 117 ? 19.126 43.736 86.468  1 50.571  ? 125 B 1 .
ATOM 4308 C CD   . LYS Bxp B 117 ? 19.934 42.462 86.323  1 52.243  ? 125 B 1 .
ATOM 4309 C CE   . LYS Bxp B 117 ? 20.387 41.914 87.656  1 54.185  ? 125 B 1 .
ATOM 4310 N NZ   . LYS Bxp B 117 ? 19.264 41.584 88.548  1 52.061  ? 125 B 1 .
ATOM 4311 H H    . LYS Bxp B 117 ? 19.298 46.635 85.835  1 44.969  ? 125 B 1 c
ATOM 4312 H HA   . LYS Bxp B 117 ? 20.206 44.681 84.146  1 44.618  ? 125 B 1 c
ATOM 4313 H HB3  . LYS Bxp B 117 ? 18.222 43.496 84.654  1 48.083  ? 125 B 1 c
ATOM 4314 H HB2  . LYS Bxp B 117 ? 17.673 44.75  85.449  1 47.946  ? 125 B 1 c
ATOM 4315 H HG3  . LYS Bxp B 117 ? 18.413 43.582 87.125  1 50.48   ? 125 B 1 c
ATOM 4316 H HG2  . LYS Bxp B 117 ? 19.71  44.437 86.831  1 50.401  ? 125 B 1 c
ATOM 4317 H HD3  . LYS Bxp B 117 ? 20.723 42.643 85.766  1 52.341  ? 125 B 1 c
ATOM 4318 H HD2  . LYS Bxp B 117 ? 19.388 41.785 85.867  1 52.543  ? 125 B 1 c
ATOM 4319 H HE3  . LYS Bxp B 117 ? 20.954 42.571 88.097  1 53.232  ? 125 B 1 c
ATOM 4320 H HE2  . LYS Bxp B 117 ? 20.917 41.11  87.51   1 53.232  ? 125 B 1 c
ATOM 4321 H HZ1  . LYS Bxp B 117 ? 18.558 41.288 88.062  1 52.699  ? 125 B 1 c
ATOM 4322 H HZ2  . LYS Bxp B 117 ? 19.019 42.323 89.01   1 52.689  ? 125 B 1 c
ATOM 4323 H HZ3  . LYS Bxp B 117 ? 19.516 40.939 89.131  1 52.701  ? 125 B 1 c
ATOM 4324 N N    . TYR Bxp B 118 ? 18.662 44.687 82.088  1 44.293  ? 126 B 1 .
ATOM 4325 C CA   . TYR Bxp B 118 ? 18.216 45.036 80.75   1 44.342  ? 126 B 1 .
ATOM 4326 C C    . TYR Bxp B 118 ? 16.79  45.564 80.794  1 39.301  ? 126 B 1 .
ATOM 4327 O O    . TYR Bxp B 118 ? 16.484 46.561 80.152  1 35.811  ? 126 B 1 .
ATOM 4328 C CB   . TYR Bxp B 118 ? 18.418 43.852 79.797  1 55.272  ? 126 B 1 .
ATOM 4329 C CG   . TYR Bxp B 118 ? 17.231 42.927 79.557  1 54.877  ? 126 B 1 .
ATOM 4330 C CD1  . TYR Bxp B 118 ? 16.946 41.883 80.42   1 48.611  ? 126 B 1 .
ATOM 4331 C CD2  . TYR Bxp B 118 ? 16.417 43.083 78.441  1 58.194  ? 126 B 1 .
ATOM 4332 C CE1  . TYR Bxp B 118 ? 15.862 41.05  80.212  1 49.318  ? 126 B 1 .
ATOM 4333 C CE2  . TYR Bxp B 118 ? 15.339 42.244 78.21   1 57.11   ? 126 B 1 .
ATOM 4334 C CZ   . TYR Bxp B 118 ? 15.057 41.224 79.1    1 52.104  ? 126 B 1 .
ATOM 4335 O OH   . TYR Bxp B 118 ? 13.996 40.396 78.847  1 49.917  ? 126 B 1 .
ATOM 4336 H H    . TYR Bxp B 118 ? 18.91  43.825 82.265  1 44.133  ? 126 B 1 c
ATOM 4337 H HA   . TYR Bxp B 118 ? 18.794 45.776 80.43   1 45.084  ? 126 B 1 c
ATOM 4338 H HB3  . TYR Bxp B 118 ? 19.166 43.312 80.136  1 52.347  ? 126 B 1 c
ATOM 4339 H HB2  . TYR Bxp B 118 ? 18.705 44.212 78.928  1 52.427  ? 126 B 1 c
ATOM 4340 H HD1  . TYR Bxp B 118 ? 17.479 41.76  81.188  1 50.9    ? 126 B 1 c
ATOM 4341 H HD2  . TYR Bxp B 118 ? 16.597 43.781 77.831  1 57.003  ? 126 B 1 c
ATOM 4342 H HE1  . TYR Bxp B 118 ? 15.682 40.35  80.814  1 50.45   ? 126 B 1 c
ATOM 4343 H HE2  . TYR Bxp B 118 ? 14.796 42.37  77.451  1 56.024  ? 126 B 1 c
ATOM 4344 H HH   . TYR Bxp B 118 ? 14.031 39.671 79.62   0 39.24   ? 126 B 1 c
ATOM 4345 N N    . GLU Bxp B 119 ? 15.934 44.877 81.551  1 45.881  ? 127 B 1 .
ATOM 4346 C CA   . GLU Bxp B 119 ? 14.53  45.241 81.701  1 51.457  ? 127 B 1 .
ATOM 4347 C C    . GLU Bxp B 119 ? 14.419 46.627 82.328  1 46.069  ? 127 B 1 .
ATOM 4348 O O    . GLU Bxp B 119 ? 13.674 47.48  81.867  1 48.562  ? 127 B 1 .
ATOM 4349 C CB   . GLU Bxp B 119 ? 13.733 44.313 82.621  1 61.514  ? 127 B 1 .
ATOM 4350 C CG   . GLU Bxp B 119 ? 14.044 42.824 82.484  1 71.199  ? 127 B 1 .
ATOM 4351 C CD   . GLU Bxp B 119 ? 15.234 42.433 83.341  1 81.797  ? 127 B 1 .
ATOM 4352 O OE1  . GLU Bxp B 119 ? 16.295 43.072 83.206  1 83.158  ? 127 B 1 .
ATOM 4353 O OE2  . GLU Bxp B 119 ? 15.101 41.502 84.15   1 96.306  ? 127 B 1 .
ATOM 4354 H H    . GLU Bxp B 119 ? 16.244 44.147 82.003  1 46.141  ? 127 B 1 c
ATOM 4355 H HA   . GLU Bxp B 119 ? 14.11  45.258 80.803  1 50.937  ? 127 B 1 c
ATOM 4356 H HB3  . GLU Bxp B 119 ? 12.778 44.442 82.44   1 61.027  ? 127 B 1 c
ATOM 4357 H HB2  . GLU Bxp B 119 ? 13.894 44.573 83.552  1 60.828  ? 127 B 1 c
ATOM 4358 H HG3  . GLU Bxp B 119 ? 14.242 42.617 81.547  1 70.894  ? 127 B 1 c
ATOM 4359 H HG2  . GLU Bxp B 119 ? 13.263 42.298 82.76   1 71.199  ? 127 B 1 c
ATOM 4360 N N    . ASP Bxp B 120 ? 15.173 46.82  83.402  1 43.951  ? 128 B 1 .
ATOM 4361 C CA   . ASP Bxp B 120 ? 15.33  48.109 84.044  1 39.141  ? 128 B 1 .
ATOM 4362 C C    . ASP Bxp B 120 ? 15.626 49.178 82.992  1 36.313  ? 128 B 1 .
ATOM 4363 O O    . ASP Bxp B 120 ? 14.994 50.228 83.005  1 35.446  ? 128 B 1 .
ATOM 4364 C CB   . ASP Bxp B 120 ? 16.374 48.009 85.147  1 38.986  ? 128 B 1 .
ATOM 4365 C CG   . ASP Bxp B 120 ? 15.944 47.204 86.363  1 39.446  ? 128 B 1 .
ATOM 4366 O OD1  . ASP Bxp B 120 ? 15.288 46.15  86.202  1 45.266  ? 128 B 1 .
ATOM 4367 O OD2  . ASP Bxp B 120 ? 16.248 47.643 87.469  1 39.041  ? 128 B 1 .
ATOM 4368 H H    . ASP Bxp B 120 ? 15.618 46.105 83.757  1 43.502  ? 128 B 1 c
ATOM 4369 H HA   . ASP Bxp B 120 ? 14.479 48.334 84.471  1 39.429  ? 128 B 1 c
ATOM 4370 H HB3  . ASP Bxp B 120 ? 16.588 48.916 85.45   1 39.128  ? 128 B 1 c
ATOM 4371 H HB2  . ASP Bxp B 120 ? 17.189 47.605 84.791  1 39.124  ? 128 B 1 c
ATOM 4372 N N    . ALA Bxp B 121 ? 16.552 48.901 82.068  1 34.798  ? 129 B 1 .
ATOM 4373 C CA   . ALA Bxp B 121 ? 16.947 49.885 81.067  1 37.066  ? 129 B 1 .
ATOM 4374 C C    . ALA Bxp B 121 ? 15.81  50.136 80.086  1 39.255  ? 129 B 1 .
ATOM 4375 O O    . ALA Bxp B 121 ? 15.493 51.278 79.771  1 40.368  ? 129 B 1 .
ATOM 4376 C CB   . ALA Bxp B 121 ? 18.179 49.434 80.319  1 38.64   ? 129 B 1 .
ATOM 4377 H H    . ALA Bxp B 121 ? 16.957 48.082 82.065  1 35.81   ? 129 B 1 c
ATOM 4378 H HA   . ALA Bxp B 121 ? 17.146 50.74  81.533  1 37.287  ? 129 B 1 c
ATOM 4379 H HB3  . ALA Bxp B 121 ? 18.552 50.182 79.823  1 38.219  ? 129 B 1 c
ATOM 4380 H HB2  . ALA Bxp B 121 ? 17.945 48.723 79.699  1 38.182  ? 129 B 1 c
ATOM 4381 H HB1  . ALA Bxp B 121 ? 18.842 49.105 80.949  1 38.179  ? 129 B 1 c
ATOM 4382 N N    . VAL Bxp B 122 ? 15.218 49.052 79.588  1 40.227  ? 130 B 1 .
ATOM 4383 C CA   . VAL Bxp B 122 ? 14.134 49.153 78.629  1 39.584  ? 130 B 1 .
ATOM 4384 C C    . VAL Bxp B 122 ? 12.98  49.978 79.215  1 38.92   ? 130 B 1 .
ATOM 4385 O O    . VAL Bxp B 122 ? 12.388 50.82  78.537  1 36.26   ? 130 B 1 .
ATOM 4386 C CB   . VAL Bxp B 122 ? 13.698 47.723 78.27   1 42.509  ? 130 B 1 .
ATOM 4387 C CG1  . VAL Bxp B 122 ? 12.454 47.73  77.383  1 45.119  ? 130 B 1 .
ATOM 4388 C CG2  . VAL Bxp B 122 ? 14.847 46.926 77.656  1 41.639  ? 130 B 1 .
ATOM 4389 H H    . VAL Bxp B 122 ? 15.493 48.225 79.861  1 39.855  ? 130 B 1 c
ATOM 4390 H HA   . VAL Bxp B 122 ? 14.466 49.596 77.824  1 40.165  ? 130 B 1 c
ATOM 4391 H HB   . VAL Bxp B 122 ? 13.452 47.278 79.115  1 42.239  ? 130 B 1 c
ATOM 4392 H HG11 . VAL Bxp B 122 ? 12.572 48.371 76.662  1 44.436  ? 130 B 1 c
ATOM 4393 H HG12 . VAL Bxp B 122 ? 11.677 47.977 77.912  1 44.375  ? 130 B 1 c
ATOM 4394 H HG13 . VAL Bxp B 122 ? 12.319 46.844 77.009  1 44.582  ? 130 B 1 c
ATOM 4395 H HG21 . VAL Bxp B 122 ? 14.946 46.083 78.128  1 41.846  ? 130 B 1 c
ATOM 4396 H HG22 . VAL Bxp B 122 ? 15.673 47.433 77.723  1 41.818  ? 130 B 1 c
ATOM 4397 H HG23 . VAL Bxp B 122 ? 14.656 46.749 76.719  1 41.903  ? 130 B 1 c
ATOM 4398 N N    . GLN Bxp B 123 ? 12.645 49.727 80.481  1 35.136  ? 131 B 1 .
ATOM 4399 C CA   . GLN Bxp B 123 ? 11.553 50.433 81.113  1 36.226  ? 131 B 1 .
ATOM 4400 C C    . GLN Bxp B 123 ? 11.917 51.897 81.291  1 38.428  ? 131 B 1 .
ATOM 4401 O O    . GLN Bxp B 123 ? 11.13  52.802 81.005  1 38.48   ? 131 B 1 .
ATOM 4402 C CB   . GLN Bxp B 123 ? 11.303 49.855 82.497  1 37.488  ? 131 B 1 .
ATOM 4403 C CG   . GLN Bxp B 123 ? 10.713 48.457 82.457  1 39.544  ? 131 B 1 .
ATOM 4404 C CD   . GLN Bxp B 123 ? 9.255  48.459 82.077  1 45.227  ? 131 B 1 .
ATOM 4405 O OE1  . GLN Bxp B 123 ? 8.882  48.908 80.981  1 47.299  ? 131 B 1 .
ATOM 4406 N NE2  . GLN Bxp B 123 ? 8.438  47.943 82.988  1 48.962  ? 131 B 1 .
ATOM 4407 H H    . GLN Bxp B 123 ? 13.104 49.098 80.959  1 36.361  ? 131 B 1 c
ATOM 4408 H HA   . GLN Bxp B 123 ? 10.747 50.359 80.545  1 36.727  ? 131 B 1 c
ATOM 4409 H HB3  . GLN Bxp B 123 ? 10.691 50.447 82.983  1 37.692  ? 131 B 1 c
ATOM 4410 H HB2  . GLN Bxp B 123 ? 12.15  49.832 82.989  1 37.652  ? 131 B 1 c
ATOM 4411 H HG3  . GLN Bxp B 123 ? 10.818 48.035 83.336  1 40.391  ? 131 B 1 c
ATOM 4412 H HG2  . GLN Bxp B 123 ? 11.205 47.915 81.805  1 40.308  ? 131 B 1 c
ATOM 4413 H HE21 . GLN Bxp B 123 ? 7.656  47.606 82.737  1 47.746  ? 131 B 1 c
ATOM 4414 H HE22 . GLN Bxp B 123 ? 8.67   47.93  83.84   1 47.639  ? 131 B 1 c
ATOM 4415 N N    . PHE Bxp B 124 ? 13.135 52.111 81.772  1 37.734  ? 132 B 1 .
ATOM 4416 C CA   . PHE Bxp B 124 ? 13.62  53.462 81.985  1 38.439  ? 132 B 1 .
ATOM 4417 C C    . PHE Bxp B 124 ? 13.48  54.288 80.711  1 37.989  ? 132 B 1 .
ATOM 4418 O O    . PHE Bxp B 124 ? 13.229 55.49  80.775  1 36.304  ? 132 B 1 .
ATOM 4419 C CB   . PHE Bxp B 124 ? 15.084 53.402 82.41   1 39.676  ? 132 B 1 .
ATOM 4420 C CG   . PHE Bxp B 124 ? 15.606 54.678 83.029  1 42.694  ? 132 B 1 .
ATOM 4421 C CD1  . PHE Bxp B 124 ? 15.237 55.02  84.307  1 45.462  ? 132 B 1 .
ATOM 4422 C CD2  . PHE Bxp B 124 ? 16.506 55.491 82.362  1 57.547  ? 132 B 1 .
ATOM 4423 C CE1  . PHE Bxp B 124 ? 15.733 56.155 84.898  1 51.052  ? 132 B 1 .
ATOM 4424 C CE2  . PHE Bxp B 124 ? 16.969 56.652 82.949  1 60.409  ? 132 B 1 .
ATOM 4425 C CZ   . PHE Bxp B 124 ? 16.582 56.974 84.216  1 54.323  ? 132 B 1 .
ATOM 4426 H H    . PHE Bxp B 124 ? 13.676 51.404 81.979  1 38.047  ? 132 B 1 c
ATOM 4427 H HA   . PHE Bxp B 124 ? 13.088 53.886 82.71   1 38.44   ? 132 B 1 c
ATOM 4428 H HB3  . PHE Bxp B 124 ? 15.63  53.185 81.622  1 40.197  ? 132 B 1 c
ATOM 4429 H HB2  . PHE Bxp B 124 ? 15.191 52.673 83.059  1 40.031  ? 132 B 1 c
ATOM 4430 H HD1  . PHE Bxp B 124 ? 14.645 54.462 84.786  1 46.194  ? 132 B 1 c
ATOM 4431 H HD2  . PHE Bxp B 124 ? 16.765 55.275 81.48   1 54.003  ? 132 B 1 c
ATOM 4432 H HE1  . PHE Bxp B 124 ? 15.454 56.388 85.769  1 50.441  ? 132 B 1 c
ATOM 4433 H HE2  . PHE Bxp B 124 ? 17.571 57.209 82.482  1 57.953  ? 132 B 1 c
ATOM 4434 H HZ   . PHE Bxp B 124 ? 16.911 57.758 84.625  1 54.606  ? 132 B 1 c
ATOM 4435 N N    . ILE Bxp B 125 ? 13.689 53.639 79.561  1 38.061  ? 133 B 1 .
ATOM 4436 C CA   . ILE Bxp B 125 ? 13.653 54.337 78.297  1 41.613  ? 133 B 1 .
ATOM 4437 C C    . ILE Bxp B 125 ? 12.22  54.486 77.829  1 44.063  ? 133 B 1 .
ATOM 4438 O O    . ILE Bxp B 125 ? 11.881 55.529 77.303  1 52.8    ? 133 B 1 .
ATOM 4439 C CB   . ILE Bxp B 125 ? 14.522 53.665 77.23   1 42.323  ? 133 B 1 .
ATOM 4440 C CG1  . ILE Bxp B 125 ? 16     53.755 77.626  1 47.902  ? 133 B 1 .
ATOM 4441 C CG2  . ILE Bxp B 125 ? 14.24  54.286 75.857  1 38.895  ? 133 B 1 .
ATOM 4442 C CD1  . ILE Bxp B 125 ? 16.976 53.056 76.685  1 52.859  ? 133 B 1 .
ATOM 4443 H H    . ILE Bxp B 125 ? 13.876 52.744 79.567  1 38.831  ? 133 B 1 c
ATOM 4444 H HA   . ILE Bxp B 125 ? 14.013 55.233 78.443  1 41.476  ? 133 B 1 c
ATOM 4445 H HB   . ILE Bxp B 125 ? 14.277 52.721 77.195  1 42.596  ? 133 B 1 c
ATOM 4446 H HG12 . ILE Bxp B 125 ? 16.106 53.372 78.52   1 47.533  ? 133 B 1 c
ATOM 4447 H HG13 . ILE Bxp B 125 ? 16.248 54.7   77.68   1 47.614  ? 133 B 1 c
ATOM 4448 H HG21 . ILE Bxp B 125 ? 14.952 54.056 75.239  1 40.05   ? 133 B 1 c
ATOM 4449 H HG22 . ILE Bxp B 125 ? 14.189 55.253 75.941  1 39.999  ? 133 B 1 c
ATOM 4450 H HG23 . ILE Bxp B 125 ? 13.398 53.947 75.512  1 39.949  ? 133 B 1 c
ATOM 4451 H HD11 . ILE Bxp B 125 ? 17.035 52.113 76.929  1 51.32   ? 133 B 1 c
ATOM 4452 H HD12 . ILE Bxp B 125 ? 17.856 53.468 76.776  1 51.238  ? 133 B 1 c
ATOM 4453 H HD13 . ILE Bxp B 125 ? 16.679 53.132 75.76   1 51.18   ? 133 B 1 c
ATOM 4454 N N    . ARG Bxp B 126 ? 11.385 53.465 77.992  1 48.426  ? 134 B 1 .
ATOM 4455 C CA   . ARG Bxp B 126 ? 10.003 53.566 77.531  1 51.427  ? 134 B 1 .
ATOM 4456 C C    . ARG Bxp B 126 ? 9.283  54.691 78.278  1 48.09   ? 134 B 1 .
ATOM 4457 O O    . ARG Bxp B 126 ? 8.337  55.299 77.784  1 44.349  ? 134 B 1 .
ATOM 4458 C CB   . ARG Bxp B 126 ? 9.271  52.224 77.675  1 50.805  ? 134 B 1 .
ATOM 4459 C CG   . ARG Bxp B 126 ? 9.751  51.241 76.62   1 47.813  ? 134 B 1 .
ATOM 4460 C CD   . ARG Bxp B 126 ? 8.997  49.939 76.61   1 44.305  ? 134 B 1 .
ATOM 4461 N NE   . ARG Bxp B 126 ? 9.291  49.215 75.375  1 36.932  ? 134 B 1 .
ATOM 4462 C CZ   . ARG Bxp B 126 ? 8.921  47.977 75.146  1 39.767  ? 134 B 1 .
ATOM 4463 N NH1  . ARG Bxp B 126 ? 8.366  47.208 76.067  1 37.069  ? 134 B 1 .
ATOM 4464 N NH2  . ARG Bxp B 126 ? 9.14   47.479 73.958  1 48.469  ? 134 B 1 .
ATOM 4465 H H    . ARG Bxp B 126 ? 11.671 52.692 78.389  1 47.9    ? 134 B 1 c
ATOM 4466 H HA   . ARG Bxp B 126 ? 10.026 53.795 76.571  1 50.266  ? 134 B 1 c
ATOM 4467 H HB3  . ARG Bxp B 126 ? 8.305  52.364 77.575  1 50.228  ? 134 B 1 c
ATOM 4468 H HB2  . ARG Bxp B 126 ? 9.438  51.852 78.568  1 50.225  ? 134 B 1 c
ATOM 4469 H HG3  . ARG Bxp B 126 ? 10.703 51.054 76.766  1 47.528  ? 134 B 1 c
ATOM 4470 H HG2  . ARG Bxp B 126 ? 9.668  51.66  75.736  1 47.498  ? 134 B 1 c
ATOM 4471 H HD3  . ARG Bxp B 126 ? 8.034  50.11  76.668  1 43.168  ? 134 B 1 c
ATOM 4472 H HD2  . ARG Bxp B 126 ? 9.261  49.395 77.38   1 43.143  ? 134 B 1 c
ATOM 4473 H HE   . ARG Bxp B 126 ? 9.74   49.626 74.751  1 39.378  ? 134 B 1 c
ATOM 4474 H HH11 . ARG Bxp B 126 ? 7.608  47.456 76.448  1 37.913  ? 134 B 1 c
ATOM 4475 H HH12 . ARG Bxp B 126 ? 8.753  46.447 76.294  1 37.887  ? 134 B 1 c
ATOM 4476 H HH21 . ARG Bxp B 126 ? 8.896  47.933 73.24   1 45.6    ? 134 B 1 c
ATOM 4477 H HH22 . ARG Bxp B 126 ? 9.53   46.69  73.878  1 45.6    ? 134 B 1 c
ATOM 4478 N N    . GLN Bxp B 127 ? 9.733  54.931 79.51   1 50.647  ? 135 B 1 .
ATOM 4479 C CA   . GLN Bxp B 127 ? 9.25   56.048 80.299  1 46.616  ? 135 B 1 .
ATOM 4480 C C    . GLN Bxp B 127 ? 9.24   57.3   79.428  1 46.739  ? 135 B 1 .
ATOM 4481 O O    . GLN Bxp B 127 ? 8.339  58.115 79.568  1 52.07   ? 135 B 1 .
ATOM 4482 C CB   . GLN Bxp B 127 ? 10.196 56.289 81.474  1 43.105  ? 135 B 1 .
ATOM 4483 C CG   . GLN Bxp B 127 ? 9.522  56.293 82.827  1 41.524  ? 135 B 1 .
ATOM 4484 C CD   . GLN Bxp B 127 ? 8.46   57.339 82.917  1 43.086  ? 135 B 1 .
ATOM 4485 O OE1  . GLN Bxp B 127 ? 8.461  58.274 82.122  1 61.126  ? 135 B 1 .
ATOM 4486 N NE2  . GLN Bxp B 127 ? 7.565  57.208 83.878  1 42.086  ? 135 B 1 .
ATOM 4487 H H    . GLN Bxp B 127 ? 10.343 54.362 79.883  1 48.978  ? 135 B 1 c
ATOM 4488 H HA   . GLN Bxp B 127 ? 8.331  55.849 80.613  1 46.695  ? 135 B 1 c
ATOM 4489 H HB3  . GLN Bxp B 127 ? 10.649 57.147 81.345  1 44.001  ? 135 B 1 c
ATOM 4490 H HB2  . GLN Bxp B 127 ? 10.883 55.592 81.472  1 43.633  ? 135 B 1 c
ATOM 4491 H HG3  . GLN Bxp B 127 ? 10.191 56.45  83.527  1 42.237  ? 135 B 1 c
ATOM 4492 H HG2  . GLN Bxp B 127 ? 9.127  55.424 82.98   1 42.237  ? 135 B 1 c
ATOM 4493 H HE21 . GLN Bxp B 127 ? 6.753  57.534 83.76   1 42.389  ? 135 B 1 c
ATOM 4494 H HE22 . GLN Bxp B 127 ? 7.787  56.826 84.645  1 42.38   ? 135 B 1 c
ATOM 4495 N N    . LYS Bxp B 128 ? 10.255 57.421 78.549  1 46.35   ? 136 B 1 .
ATOM 4496 C CA   . LYS Bxp B 128 ? 10.532 58.613 77.767  1 48.71   ? 136 B 1 .
ATOM 4497 C C    . LYS Bxp B 128 ? 10.131 58.425 76.304  1 49.191  ? 136 B 1 .
ATOM 4498 O O    . LYS Bxp B 128 ? 9.806  59.406 75.653  1 42.511  ? 136 B 1 .
ATOM 4499 C CB   . LYS Bxp B 128 ? 12.009 59.002 77.924  1 55.386  ? 136 B 1 .
ATOM 4500 C CG   . LYS Bxp B 128 ? 12.354 59.934 79.104  1 57.152  ? 136 B 1 .
ATOM 4501 C CD   . LYS Bxp B 128 ? 12.205 59.294 80.473  1 71.814  ? 136 B 1 .
ATOM 4502 C CE   . LYS Bxp B 128 ? 13.075 59.89  81.539  1 85.826  ? 136 B 1 .
ATOM 4503 N NZ   . LYS Bxp B 128 ? 12.619 61.233 81.909  1 99.359  ? 136 B 1 .
ATOM 4504 H H    . LYS Bxp B 128 ? 10.83  56.718 78.46   1 47.136  ? 136 B 1 c
ATOM 4505 H HA   . LYS Bxp B 128 ? 9.99   59.355 78.138  1 49.48   ? 136 B 1 c
ATOM 4506 H HB3  . LYS Bxp B 128 ? 12.301 59.44  77.097  1 54.215  ? 136 B 1 c
ATOM 4507 H HB2  . LYS Bxp B 128 ? 12.537 58.18  78.02   1 54.171  ? 136 B 1 c
ATOM 4508 H HG3  . LYS Bxp B 128 ? 11.771 60.723 79.058  1 59.843  ? 136 B 1 c
ATOM 4509 H HG2  . LYS Bxp B 128 ? 13.279 60.241 78.996  1 59.984  ? 136 B 1 c
ATOM 4510 H HD3  . LYS Bxp B 128 ? 12.415 58.338 80.394  1 70.559  ? 136 B 1 c
ATOM 4511 H HD2  . LYS Bxp B 128 ? 11.267 59.367 80.752  1 70.849  ? 136 B 1 c
ATOM 4512 H HE3  . LYS Bxp B 128 ? 13.994 59.943 81.221  1 85.107  ? 136 B 1 c
ATOM 4513 H HE2  . LYS Bxp B 128 ? 13.058 59.321 82.329  1 85.266  ? 136 B 1 c
ATOM 4514 H HZ1  . LYS Bxp B 128 ? 11.741 61.211 82.129  1 94.576  ? 136 B 1 c
ATOM 4515 H HZ2  . LYS Bxp B 128 ? 12.739 61.801 81.214  1 94.66   ? 136 B 1 c
ATOM 4516 H HZ3  . LYS Bxp B 128 ? 13.095 61.53  82.621  1 94.84   ? 136 B 1 c
ATOM 4517 N N    . ARG Bxp B 129 ? 10.111 57.186 75.792  1 60.324  ? 137 B 1 .
ATOM 4518 C CA   . ARG Bxp B 129 ? 9.817  56.964 74.38   1 72.394  ? 137 B 1 .
ATOM 4519 C C    . ARG Bxp B 129 ? 8.514  56.192 74.196  1 72.804  ? 137 B 1 .
ATOM 4520 O O    . ARG Bxp B 129 ? 7.771  56.468 73.25   1 93.296  ? 137 B 1 .
ATOM 4521 C CB   . ARG Bxp B 129 ? 10.901 56.197 73.616  1 86.22   ? 137 B 1 .
ATOM 4522 C CG   . ARG Bxp B 129 ? 10.787 56.225 72.091  1 99.48   ? 137 B 1 .
ATOM 4523 C CD   . ARG Bxp B 129 ? 11.244 57.545 71.5    1 111.907 ? 137 B 1 .
ATOM 4524 N NE   . ARG Bxp B 129 ? 10.194 58.568 71.439  1 109.956 ? 137 B 1 .
ATOM 4525 C CZ   . ARG Bxp B 129 ? 9.341  58.756 70.441  1 95.857  ? 137 B 1 .
ATOM 4526 N NH1  . ARG Bxp B 129 ? 9.34   57.987 69.357  1 83.164  ? 137 B 1 .
ATOM 4527 N NH2  . ARG Bxp B 129 ? 8.499  59.766 70.546  1 92.235  ? 137 B 1 .
ATOM 4528 H H    . ARG Bxp B 129 ? 10.3   56.468 76.324  1 59.594  ? 137 B 1 c
ATOM 4529 H HA   . ARG Bxp B 129 ? 9.711  57.845 73.946  1 72.146  ? 137 B 1 c
ATOM 4530 H HB3  . ARG Bxp B 129 ? 10.881 55.261 73.911  1 85.341  ? 137 B 1 c
ATOM 4531 H HB2  . ARG Bxp B 129 ? 11.775 56.564 73.869  1 85.684  ? 137 B 1 c
ATOM 4532 H HG3  . ARG Bxp B 129 ? 9.855  56.063 71.829  1 98.681  ? 137 B 1 c
ATOM 4533 H HG2  . ARG Bxp B 129 ? 11.332 55.504 71.712  1 98.455  ? 137 B 1 c
ATOM 4534 H HD3  . ARG Bxp B 129 ? 11.579 57.378 70.604  1 108.031 ? 137 B 1 c
ATOM 4535 H HD2  . ARG Bxp B 129 ? 11.99  57.888 72.033  1 108.109 ? 137 B 1 c
ATOM 4536 H HE   . ARG Bxp B 129 ? 10.114 59.102 72.119  1 105.731 ? 137 B 1 c
ATOM 4537 H HH11 . ARG Bxp B 129 ? 9.642  57.158 69.396  1 87.297  ? 137 B 1 c
ATOM 4538 H HH12 . ARG Bxp B 129 ? 9.021  58.308 68.598  1 87.432  ? 137 B 1 c
ATOM 4539 H HH21 . ARG Bxp B 129 ? 8.804  60.572 70.747  1 93.335  ? 137 B 1 c
ATOM 4540 H HH22 . ARG Bxp B 129 ? 7.635  59.633 70.416  1 93.335  ? 137 B 1 c
ATOM 4541 N N    . ARG Bxp B 130 ? 8.284  55.173 75.028  1 67.597  ? 138 B 1 .
ATOM 4542 C CA   . ARG Bxp B 130 ? 6.984  54.506 75.092  1 75.889  ? 138 B 1 .
ATOM 4543 C C    . ARG Bxp B 130 ? 6.818  53.515 73.941  1 66.219  ? 138 B 1 .
ATOM 4544 O O    . ARG Bxp B 130 ? 6.343  52.407 74.162  1 65.154  ? 138 B 1 .
ATOM 4545 C CB   . ARG Bxp B 130 ? 5.803  55.492 75.142  1 77.714  ? 138 B 1 .
ATOM 4546 C CG   . ARG Bxp B 130 ? 5.033  55.763 73.858  1 72.963  ? 138 B 1 .
ATOM 4547 C CD   . ARG Bxp B 130 ? 3.708  55.042 73.84   1 70.055  ? 138 B 1 .
ATOM 4548 N NE   . ARG Bxp B 130 ? 2.565  55.923 74.132  1 73.933  ? 138 B 1 .
ATOM 4549 C CZ   . ARG Bxp B 130 ? 1.936  56.739 73.261  1 68.626  ? 138 B 1 .
ATOM 4550 N NH1  . ARG Bxp B 130 ? 2.504  57.139 72.131  1 76.801  ? 138 B 1 .
ATOM 4551 N NH2  . ARG Bxp B 130 ? 0.732  57.19  73.544  1 58.872  ? 138 B 1 .
ATOM 4552 H H    . ARG Bxp B 130 ? 8.96   54.871 75.559  1 69.905  ? 138 B 1 c
ATOM 4553 H HA   . ARG Bxp B 130 ? 6.96   53.987 75.936  1 72.441  ? 138 B 1 c
ATOM 4554 H HB3  . ARG Bxp B 130 ? 6.143  56.349 75.475  1 76.095  ? 138 B 1 c
ATOM 4555 H HB2  . ARG Bxp B 130 ? 5.169  55.16  75.813  1 76.093  ? 138 B 1 c
ATOM 4556 H HG3  . ARG Bxp B 130 ? 5.557  55.484 73.082  1 73.293  ? 138 B 1 c
ATOM 4557 H HG2  . ARG Bxp B 130 ? 4.872  56.728 73.778  1 73.328  ? 138 B 1 c
ATOM 4558 H HD3  . ARG Bxp B 130 ? 3.723  54.312 74.492  1 71.674  ? 138 B 1 c
ATOM 4559 H HD2  . ARG Bxp B 130 ? 3.583  54.644 72.955  1 71.622  ? 138 B 1 c
ATOM 4560 H HE   . ARG Bxp B 130 ? 2.262  55.92  74.949  1 71.559  ? 138 B 1 c
ATOM 4561 H HH11 . ARG Bxp B 130 ? 3.299  57.525 72.152  1 74.178  ? 138 B 1 c
ATOM 4562 H HH12 . ARG Bxp B 130 ? 2.085  57.017 71.362  1 74.183  ? 138 B 1 c
ATOM 4563 H HH21 . ARG Bxp B 130 ? 0.557  57.496 74.355  1 61.79   ? 138 B 1 c
ATOM 4564 H HH22 . ARG Bxp B 130 ? 0.104  57.184 72.922  1 61.735  ? 138 B 1 c
ATOM 4565 N N    . GLY Bxp B 131 ? 7.203  53.929 72.728  1 68.382  ? 139 B 1 .
ATOM 4566 C CA   . GLY Bxp B 131 ? 7.2    53.06  71.566  1 63.949  ? 139 B 1 .
ATOM 4567 C C    . GLY Bxp B 131 ? 8.563  52.415 71.295  1 63.149  ? 139 B 1 .
ATOM 4568 O O    . GLY Bxp B 131 ? 8.712  51.663 70.345  1 71.705  ? 139 B 1 .
ATOM 4569 H H    . GLY Bxp B 131 ? 7.478  54.792 72.619  1 67      ? 139 B 1 c
ATOM 4570 H HA3  . GLY Bxp B 131 ? 6.93   53.588 70.778  1 64.803  ? 139 B 1 c
ATOM 4571 H HA2  . GLY Bxp B 131 ? 6.526  52.352 71.696  1 64.81   ? 139 B 1 c
ATOM 4572 N N    . ALA Bxp B 132 ? 9.568  52.678 72.127  1 62.36   ? 140 B 1 .
ATOM 4573 C CA   . ALA Bxp B 132 ? 10.913 52.205 71.848  1 60.95   ? 140 B 1 .
ATOM 4574 C C    . ALA Bxp B 132 ? 10.991 50.693 71.995  1 56.748  ? 140 B 1 .
ATOM 4575 O O    . ALA Bxp B 132 ? 10.217 50.085 72.729  1 46.355  ? 140 B 1 .
ATOM 4576 C CB   . ALA Bxp B 132 ? 11.915 52.868 72.764  1 70.811  ? 140 B 1 .
ATOM 4577 H H    . ALA Bxp B 132 ? 9.417  53.162 72.887  1 62.401  ? 140 B 1 c
ATOM 4578 H HA   . ALA Bxp B 132 ? 11.134 52.439 70.904  1 62.202  ? 140 B 1 c
ATOM 4579 H HB3  . ALA Bxp B 132 ? 12.695 52.296 72.865  1 67.743  ? 140 B 1 c
ATOM 4580 H HB2  . ALA Bxp B 132 ? 11.514 53.017 73.637  1 67.825  ? 140 B 1 c
ATOM 4581 H HB1  . ALA Bxp B 132 ? 12.191 53.719 72.387  1 68.067  ? 140 B 1 c
ATOM 4582 N N    . PHE Bxp B 133 ? 11.966 50.124 71.281  1 66.351  ? 141 B 1 .
ATOM 4583 C CA   . PHE Bxp B 133 ? 12.327 48.712 71.325  1 68.031  ? 141 B 1 .
ATOM 4584 C C    . PHE Bxp B 133 ? 11.24  47.863 70.684  1 60.623  ? 141 B 1 .
ATOM 4585 O O    . PHE Bxp B 133 ? 10.066 48.046 70.954  1 67.628  ? 141 B 1 .
ATOM 4586 C CB   . PHE Bxp B 133 ? 12.625 48.184 72.728  1 64.647  ? 141 B 1 .
ATOM 4587 C CG   . PHE Bxp B 133 ? 13.713 48.99  73.412  1 57.073  ? 141 B 1 .
ATOM 4588 C CD1  . PHE Bxp B 133 ? 15.033 48.899 72.988  1 57.763  ? 141 B 1 .
ATOM 4589 C CD2  . PHE Bxp B 133 ? 13.414 49.824 74.472  1 55.08   ? 141 B 1 .
ATOM 4590 C CE1  . PHE Bxp B 133 ? 16.03  49.643 73.595  1 54.895  ? 141 B 1 .
ATOM 4591 C CE2  . PHE Bxp B 133 ? 14.416 50.534 75.095  1 56.845  ? 141 B 1 .
ATOM 4592 C CZ   . PHE Bxp B 133 ? 15.718 50.445 74.656  1 55.286  ? 141 B 1 .
ATOM 4593 H H    . PHE Bxp B 133 ? 12.447 50.663 70.72   1 64.246  ? 141 B 1 c
ATOM 4594 H HA   . PHE Bxp B 133 ? 13.153 48.605 70.79   1 65.388  ? 141 B 1 c
ATOM 4595 H HB3  . PHE Bxp B 133 ? 12.913 47.247 72.659  1 63.544  ? 141 B 1 c
ATOM 4596 H HB2  . PHE Bxp B 133 ? 11.805 48.22  73.266  1 63.319  ? 141 B 1 c
ATOM 4597 H HD1  . PHE Bxp B 133 ? 15.247 48.343 72.255  1 56.935  ? 141 B 1 c
ATOM 4598 H HD2  . PHE Bxp B 133 ? 12.526 49.886 74.785  1 56.047  ? 141 B 1 c
ATOM 4599 H HE1  . PHE Bxp B 133 ? 16.923 49.57  73.301  1 55.645  ? 141 B 1 c
ATOM 4600 H HE2  . PHE Bxp B 133 ? 14.204 51.101 75.817  1 55.936  ? 141 B 1 c
ATOM 4601 H HZ   . PHE Bxp B 133 ? 16.392 50.946 75.079  1 55.473  ? 141 B 1 c
ATOM 4602 N N    . ASN Bxp B 134 ? 11.67  46.948 69.825  1 55.319  ? 142 B 1 .
ATOM 4603 C CA   . ASN Bxp B 134 ? 10.787 45.978 69.214  1 58.899  ? 142 B 1 .
ATOM 4604 C C    . ASN Bxp B 134 ? 11.172 44.605 69.744  1 58.938  ? 142 B 1 .
ATOM 4605 O O    . ASN Bxp B 134 ? 12.098 44.518 70.545  1 59.882  ? 142 B 1 .
ATOM 4606 C CB   . ASN Bxp B 134 ? 10.858 46.043 67.696  1 58.784  ? 142 B 1 .
ATOM 4607 C CG   . ASN Bxp B 134 ? 12.196 45.592 67.182  1 58.097  ? 142 B 1 .
ATOM 4608 O OD1  . ASN Bxp B 134 ? 12.706 44.545 67.602  1 56.159  ? 142 B 1 .
ATOM 4609 N ND2  . ASN Bxp B 134 ? 12.764 46.375 66.28   1 58.896  ? 142 B 1 .
ATOM 4610 H H    . ASN Bxp B 134 ? 12.557 46.925 69.609  1 57.365  ? 142 B 1 c
ATOM 4611 H HA   . ASN Bxp B 134 ? 9.861  46.176 69.481  1 58.239  ? 142 B 1 c
ATOM 4612 H HB3  . ASN Bxp B 134 ? 10.694 46.963 67.406  1 58.656  ? 142 B 1 c
ATOM 4613 H HB2  . ASN Bxp B 134 ? 10.159 45.476 67.314  1 58.673  ? 142 B 1 c
ATOM 4614 H HD21 . ASN Bxp B 134 ? 13.226 46.016 65.613  1 58.635  ? 142 B 1 c
ATOM 4615 H HD22 . ASN Bxp B 134 ? 12.684 47.256 66.34   1 58.587  ? 142 B 1 c
ATOM 4616 N N    . SER Bxp B 135 ? 10.493 43.557 69.253  1 59.354  ? 143 B 1 .
ATOM 4617 C CA   . SER Bxp B 135 ? 10.669 42.218 69.787  1 68.125  ? 143 B 1 .
ATOM 4618 C C    . SER Bxp B 135 ? 12.088 41.736 69.533  1 73.289  ? 143 B 1 .
ATOM 4619 O O    . SER Bxp B 135 ? 12.683 41.108 70.415  1 65.642  ? 143 B 1 .
ATOM 4620 C CB   . SER Bxp B 135 ? 9.68   41.251 69.217  1 70.967  ? 143 B 1 .
ATOM 4621 O OG   . SER Bxp B 135 ? 8.431  41.426 69.858  1 80.442  ? 143 B 1 .
ATOM 4622 H H    . SER Bxp B 135 ? 9.897  43.684 68.572  1 61.221  ? 143 B 1 c
ATOM 4623 H HA   . SER Bxp B 135 ? 10.53  42.26  70.767  1 67.746  ? 143 B 1 c
ATOM 4624 H HB3  . SER Bxp B 135 ? 9.995  40.337 69.355  1 72.427  ? 143 B 1 c
ATOM 4625 H HB2  . SER Bxp B 135 ? 9.583  41.406 68.258  1 72.356  ? 143 B 1 c
ATOM 4626 H HG   . SER Bxp B 135 ? 7.653  41.193 69.404  0 82.07   ? 143 B 1 c
ATOM 4627 N N    . LYS Bxp B 136 ? 12.595 42.035 68.323  1 80.381  ? 144 B 1 .
ATOM 4628 C CA   . LYS Bxp B 136 ? 13.912 41.579 67.908  1 79.602  ? 144 B 1 .
ATOM 4629 C C    . LYS Bxp B 136 ? 14.933 42.202 68.858  1 68.206  ? 144 B 1 .
ATOM 4630 O O    . LYS Bxp B 136 ? 15.712 41.49  69.485  1 74.267  ? 144 B 1 .
ATOM 4631 C CB   . LYS Bxp B 136 ? 14.217 41.839 66.423  1 83.807  ? 144 B 1 .
ATOM 4632 C CG   . LYS Bxp B 136 ? 15.242 40.855 65.837  1 100.344 ? 144 B 1 .
ATOM 4633 C CD   . LYS Bxp B 136 ? 16.559 40.798 66.628  1 124.059 ? 144 B 1 .
ATOM 4634 C CE   . LYS Bxp B 136 ? 17.652 39.817 66.249  1 113.507 ? 144 B 1 .
ATOM 4635 N NZ   . LYS Bxp B 136 ? 18.844 39.942 67.108  1 93.595  ? 144 B 1 .
ATOM 4636 H H    . LYS Bxp B 136 ? 12.099 42.533 67.738  1 78.314  ? 144 B 1 c
ATOM 4637 H HA   . LYS Bxp B 136 ? 13.941 40.597 68.041  1 78.303  ? 144 B 1 c
ATOM 4638 H HB3  . LYS Bxp B 136 ? 14.562 42.752 66.321  1 86.18   ? 144 B 1 c
ATOM 4639 H HB2  . LYS Bxp B 136 ? 13.385 41.771 65.907  1 86.225  ? 144 B 1 c
ATOM 4640 H HG3  . LYS Bxp B 136 ? 15.436 41.119 64.911  1 101.059 ? 144 B 1 c
ATOM 4641 H HG2  . LYS Bxp B 136 ? 14.841 39.959 65.817  1 101.059 ? 144 B 1 c
ATOM 4642 H HD3  . LYS Bxp B 136 ? 16.324 40.618 67.559  1 114.744 ? 144 B 1 c
ATOM 4643 H HD2  . LYS Bxp B 136 ? 16.945 41.701 66.616  1 115.482 ? 144 B 1 c
ATOM 4644 H HE3  . LYS Bxp B 136 ? 17.913 39.96  65.322  1 110.582 ? 144 B 1 c
ATOM 4645 H HE2  . LYS Bxp B 136 ? 17.305 38.91  66.324  1 110.633 ? 144 B 1 c
ATOM 4646 H HZ1  . LYS Bxp B 136 ? 18.665 39.606 67.93   1 99.387  ? 144 B 1 c
ATOM 4647 H HZ2  . LYS Bxp B 136 ? 19.076 40.814 67.187  1 99.582  ? 144 B 1 c
ATOM 4648 H HZ3  . LYS Bxp B 136 ? 19.534 39.482 66.743  1 99.387  ? 144 B 1 c
ATOM 4649 N N    . GLN Bxp B 137 ? 14.879 43.53  68.982  1 57.529  ? 145 B 1 .
ATOM 4650 C CA   . GLN Bxp B 137 ? 15.789 44.298 69.821  1 53.787  ? 145 B 1 .
ATOM 4651 C C    . GLN Bxp B 137 ? 15.766 43.808 71.278  1 54.499  ? 145 B 1 .
ATOM 4652 O O    . GLN Bxp B 137 ? 16.807 43.625 71.906  1 56.364  ? 145 B 1 .
ATOM 4653 C CB   . GLN Bxp B 137 ? 15.429 45.783 69.693  1 48.149  ? 145 B 1 .
ATOM 4654 C CG   . GLN Bxp B 137 ? 15.432 46.287 68.253  1 46.713  ? 145 B 1 .
ATOM 4655 C CD   . GLN Bxp B 137 ? 14.918 47.7   68.108  1 48.014  ? 145 B 1 .
ATOM 4656 O OE1  . GLN Bxp B 137 ? 13.978 48.112 68.785  1 49.28   ? 145 B 1 .
ATOM 4657 N NE2  . GLN Bxp B 137 ? 15.518 48.466 67.211  1 50.886  ? 145 B 1 .
ATOM 4658 H H    . GLN Bxp B 137 ? 14.224 43.978 68.53   1 58.949  ? 145 B 1 c
ATOM 4659 H HA   . GLN Bxp B 137 ? 16.707 44.174 69.469  1 53.531  ? 145 B 1 c
ATOM 4660 H HB3  . GLN Bxp B 137 ? 16.07  46.309 70.215  1 49.047  ? 145 B 1 c
ATOM 4661 H HB2  . GLN Bxp B 137 ? 14.541 45.924 70.08   1 49.093  ? 145 B 1 c
ATOM 4662 H HG3  . GLN Bxp B 137 ? 14.886 45.698 67.697  1 47.634  ? 145 B 1 c
ATOM 4663 H HG2  . GLN Bxp B 137 ? 16.348 46.253 67.905  1 47.427  ? 145 B 1 c
ATOM 4664 H HE21 . GLN Bxp B 137 ? 15.58  49.34  67.347  1 50.168  ? 145 B 1 c
ATOM 4665 H HE22 . GLN Bxp B 137 ? 15.856 48.104 66.475  1 49.985  ? 145 B 1 c
ATOM 4666 N N    . LEU Bxp B 138 ? 14.576 43.633 71.851  1 52.221  ? 146 B 1 .
ATOM 4667 C CA   . LEU Bxp B 138 ? 14.481 43.193 73.23   1 56.828  ? 146 B 1 .
ATOM 4668 C C    . LEU Bxp B 138 ? 15.292 41.92  73.403  1 58.248  ? 146 B 1 .
ATOM 4669 O O    . LEU Bxp B 138 ? 16.006 41.797 74.38   1 65.772  ? 146 B 1 .
ATOM 4670 C CB   . LEU Bxp B 138 ? 13.045 42.933 73.685  1 66.873  ? 146 B 1 .
ATOM 4671 C CG   . LEU Bxp B 138 ? 12.138 44.14  73.95   1 65.92   ? 146 B 1 .
ATOM 4672 C CD1  . LEU Bxp B 138 ? 10.858 43.673 74.603  1 68.384  ? 146 B 1 .
ATOM 4673 C CD2  . LEU Bxp B 138 ? 12.782 45.177 74.823  1 69.393  ? 146 B 1 .
ATOM 4674 H H    . LEU Bxp B 138 ? 13.811 43.792 71.378  1 53.868  ? 146 B 1 c
ATOM 4675 H HA   . LEU Bxp B 138 ? 14.881 43.894 73.804  1 57.99   ? 146 B 1 c
ATOM 4676 H HB3  . LEU Bxp B 138 ? 13.082 42.394 74.509  1 64.201  ? 146 B 1 c
ATOM 4677 H HB2  . LEU Bxp B 138 ? 12.611 42.369 73.004  1 64.211  ? 146 B 1 c
ATOM 4678 H HG   . LEU Bxp B 138 ? 11.911 44.559 73.082  1 67.151  ? 146 B 1 c
ATOM 4679 H HD11 . LEU Bxp B 138 ? 10.472 42.95  74.082  1 67.643  ? 146 B 1 c
ATOM 4680 H HD12 . LEU Bxp B 138 ? 10.227 44.412 74.647  1 67.643  ? 146 B 1 c
ATOM 4681 H HD13 . LEU Bxp B 138 ? 11.047 43.358 75.503  1 67.643  ? 146 B 1 c
ATOM 4682 H HD21 . LEU Bxp B 138 ? 13.484 45.631 74.327  1 68.106  ? 146 B 1 c
ATOM 4683 H HD22 . LEU Bxp B 138 ? 13.165 44.75  75.609  1 68.238  ? 146 B 1 c
ATOM 4684 H HD23 . LEU Bxp B 138 ? 12.114 45.826 75.101  1 68.052  ? 146 B 1 c
ATOM 4685 N N    . LEU Bxp B 139 ? 15.124 40.97  72.479  1 65.216  ? 147 B 1 .
ATOM 4686 C CA   . LEU Bxp B 139 ? 15.868 39.718 72.491  1 73.274  ? 147 B 1 .
ATOM 4687 C C    . LEU Bxp B 139 ? 17.36  40     72.607  1 61.359  ? 147 B 1 .
ATOM 4688 O O    . LEU Bxp B 139 ? 18.025 39.392 73.431  1 64.055  ? 147 B 1 .
ATOM 4689 C CB   . LEU Bxp B 139 ? 15.582 38.854 71.258  1 88.632  ? 147 B 1 .
ATOM 4690 C CG   . LEU Bxp B 139 ? 14.832 37.536 71.507  1 95.185  ? 147 B 1 .
ATOM 4691 C CD1  . LEU Bxp B 139 ? 15.64  36.666 72.488  1 94.306  ? 147 B 1 .
ATOM 4692 C CD2  . LEU Bxp B 139 ? 13.387 37.751 71.982  1 84.013  ? 147 B 1 .
ATOM 4693 H H    . LEU Bxp B 139 ? 14.51  41.106 71.816  1 65.315  ? 147 B 1 c
ATOM 4694 H HA   . LEU Bxp B 139 ? 15.592 39.218 73.3    1 72.04   ? 147 B 1 c
ATOM 4695 H HB3  . LEU Bxp B 139 ? 16.441 38.643 70.824  1 86.034  ? 147 B 1 c
ATOM 4696 H HB2  . LEU Bxp B 139 ? 15.058 39.389 70.62   1 85.814  ? 147 B 1 c
ATOM 4697 H HG   . LEU Bxp B 139 ? 14.789 37.048 70.645  1 91.623  ? 147 B 1 c
ATOM 4698 H HD11 . LEU Bxp B 139 ? 16.589 36.846 72.379  1 94.405  ? 147 B 1 c
ATOM 4699 H HD12 . LEU Bxp B 139 ? 15.467 35.727 72.306  1 94.479  ? 147 B 1 c
ATOM 4700 H HD13 . LEU Bxp B 139 ? 15.374 36.872 73.4    1 94.293  ? 147 B 1 c
ATOM 4701 H HD21 . LEU Bxp B 139 ? 12.902 38.275 71.323  1 87.139  ? 147 B 1 c
ATOM 4702 H HD22 . LEU Bxp B 139 ? 13.391 38.224 72.831  1 87.139  ? 147 B 1 c
ATOM 4703 H HD23 . LEU Bxp B 139 ? 12.951 36.89  72.094  1 87.139  ? 147 B 1 c
ATOM 4704 N N    . TYR Bxp B 140 ? 17.872 40.904 71.769  1 52.54   ? 148 B 1 .
ATOM 4705 C CA   . TYR Bxp B 140 ? 19.266 41.3   71.835  1 57.501  ? 148 B 1 .
ATOM 4706 C C    . TYR Bxp B 140 ? 19.668 41.661 73.273  1 59.712  ? 148 B 1 .
ATOM 4707 O O    . TYR Bxp B 140 ? 20.51  41.014 73.907  1 61.142  ? 148 B 1 .
ATOM 4708 C CB   . TYR Bxp B 140 ? 19.529 42.479 70.89   1 60.068  ? 148 B 1 .
ATOM 4709 C CG   . TYR Bxp B 140 ? 20.959 42.994 70.996  1 64.075  ? 148 B 1 .
ATOM 4710 C CD1  . TYR Bxp B 140 ? 22.042 42.119 71.016  1 68.522  ? 148 B 1 .
ATOM 4711 C CD2  . TYR Bxp B 140 ? 21.221 44.344 71.169  1 68.981  ? 148 B 1 .
ATOM 4712 C CE1  . TYR Bxp B 140 ? 23.343 42.574 71.155  1 70.361  ? 148 B 1 .
ATOM 4713 C CE2  . TYR Bxp B 140 ? 22.519 44.814 71.312  1 70.747  ? 148 B 1 .
ATOM 4714 C CZ   . TYR Bxp B 140 ? 23.583 43.928 71.292  1 71.307  ? 148 B 1 .
ATOM 4715 O OH   . TYR Bxp B 140 ? 24.87  44.369 71.404  1 72.496  ? 148 B 1 .
ATOM 4716 H H    . TYR Bxp B 140 ? 17.335 41.283 71.133  1 55.829  ? 148 B 1 c
ATOM 4717 H HA   . TYR Bxp B 140 ? 19.819 40.529 71.538  1 57.449  ? 148 B 1 c
ATOM 4718 H HB3  . TYR Bxp B 140 ? 18.909 43.207 71.106  1 60.365  ? 148 B 1 c
ATOM 4719 H HB2  . TYR Bxp B 140 ? 19.359 42.189 69.966  1 60.359  ? 148 B 1 c
ATOM 4720 H HD1  . TYR Bxp B 140 ? 21.89  41.193 70.915  1 67.742  ? 148 B 1 c
ATOM 4721 H HD2  . TYR Bxp B 140 ? 20.504 44.958 71.179  1 68.143  ? 148 B 1 c
ATOM 4722 H HE1  . TYR Bxp B 140 ? 24.063 41.966 71.134  1 70.092  ? 148 B 1 c
ATOM 4723 H HE2  . TYR Bxp B 140 ? 22.679 45.738 71.398  1 70.395  ? 148 B 1 c
ATOM 4724 H HH   . TYR Bxp B 140 ? 25.266 43.889 71.276  0 53.99   ? 148 B 1 c
ATOM 4725 N N    . LEU Bxp B 141 ? 19.062 42.726 73.788  1 55.798  ? 149 B 1 .
ATOM 4726 C CA   . LEU Bxp B 141 ? 19.379 43.23  75.108  1 52.182  ? 149 B 1 .
ATOM 4727 C C    . LEU Bxp B 141 ? 19.282 42.114 76.152  1 56.062  ? 149 B 1 .
ATOM 4728 O O    . LEU Bxp B 141 ? 20.014 42.132 77.145  1 56.79   ? 149 B 1 .
ATOM 4729 C CB   . LEU Bxp B 141 ? 18.415 44.379 75.385  1 49.106  ? 149 B 1 .
ATOM 4730 C CG   . LEU Bxp B 141 ? 18.425 45.532 74.373  1 48.422  ? 149 B 1 .
ATOM 4731 C CD1  . LEU Bxp B 141 ? 17.321 46.522 74.633  1 51.363  ? 149 B 1 .
ATOM 4732 C CD2  . LEU Bxp B 141 ? 19.73  46.279 74.383  1 49.306  ? 149 B 1 .
ATOM 4733 H H    . LEU Bxp B 141 ? 18.401 43.134 73.307  1 55.752  ? 149 B 1 c
ATOM 4734 H HA   . LEU Bxp B 141 ? 20.307 43.576 75.097  1 52.936  ? 149 B 1 c
ATOM 4735 H HB3  . LEU Bxp B 141 ? 18.623 44.747 76.274  1 49.637  ? 149 B 1 c
ATOM 4736 H HB2  . LEU Bxp B 141 ? 17.502 44.01  75.424  1 49.641  ? 149 B 1 c
ATOM 4737 H HG   . LEU Bxp B 141 ? 18.292 45.158 73.465  1 49.374  ? 149 B 1 c
ATOM 4738 H HD11 . LEU Bxp B 141 ? 16.477 46.049 74.73   1 50.467  ? 149 B 1 c
ATOM 4739 H HD12 . LEU Bxp B 141 ? 17.259 47.142 73.887  1 50.486  ? 149 B 1 c
ATOM 4740 H HD13 . LEU Bxp B 141 ? 17.51  47.015 75.449  1 50.466  ? 149 B 1 c
ATOM 4741 H HD21 . LEU Bxp B 141 ? 20.437 45.703 74.046  1 49.083  ? 149 B 1 c
ATOM 4742 H HD22 . LEU Bxp B 141 ? 19.941 46.551 75.292  1 49.053  ? 149 B 1 c
ATOM 4743 H HD23 . LEU Bxp B 141 ? 19.659 47.067 73.818  1 49.064  ? 149 B 1 c
ATOM 4744 N N    . GLU Bxp B 142 ? 18.382 41.146 75.935  1 59.329  ? 150 B 1 .
ATOM 4745 C CA   . GLU Bxp B 142 ? 18.131 40.097 76.918  1 65.223  ? 150 B 1 .
ATOM 4746 C C    . GLU Bxp B 142 ? 19.346 39.184 77.054  1 62.544  ? 150 B 1 .
ATOM 4747 O O    . GLU Bxp B 142 ? 19.655 38.748 78.156  1 68.984  ? 150 B 1 .
ATOM 4748 C CB   . GLU Bxp B 142 ? 16.936 39.206 76.573  1 68.271  ? 150 B 1 .
ATOM 4749 C CG   . GLU Bxp B 142 ? 16.53  38.258 77.698  1 75.804  ? 150 B 1 .
ATOM 4750 C CD   . GLU Bxp B 142 ? 16.045 36.898 77.232  1 89.446  ? 150 B 1 .
ATOM 4751 O OE1  . GLU Bxp B 142 ? 15.099 36.872 76.413  1 101.84  ? 150 B 1 .
ATOM 4752 O OE2  . GLU Bxp B 142 ? 16.602 35.861 77.676  1 99.876  ? 150 B 1 .
ATOM 4753 H H    . GLU Bxp B 142 ? 17.891 41.149 75.165  1 59.769  ? 150 B 1 c
ATOM 4754 H HA   . GLU Bxp B 142 ? 17.961 40.528 77.794  1 63.99   ? 150 B 1 c
ATOM 4755 H HB3  . GLU Bxp B 142 ? 17.154 38.679 75.776  1 69.23   ? 150 B 1 c
ATOM 4756 H HB2  . GLU Bxp B 142 ? 16.171 39.778 76.35   1 69.203  ? 150 B 1 c
ATOM 4757 H HG3  . GLU Bxp B 142 ? 15.815 38.675 78.222  1 76.56   ? 150 B 1 c
ATOM 4758 H HG2  . GLU Bxp B 142 ? 17.291 38.125 78.3    1 76.765  ? 150 B 1 c
ATOM 4759 N N    . LYS Bxp B 143 ? 19.987 38.866 75.925  1 63.549  ? 151 B 1 .
ATOM 4760 C CA   . LYS Bxp B 143 ? 21.106 37.94  75.865  1 67.603  ? 151 B 1 .
ATOM 4761 C C    . LYS Bxp B 143 ? 22.438 38.702 75.961  1 65.822  ? 151 B 1 .
ATOM 4762 O O    . LYS Bxp B 143 ? 23.49  38.083 76.089  1 64.603  ? 151 B 1 .
ATOM 4763 C CB   . LYS Bxp B 143 ? 20.985 37.12  74.571  1 80.254  ? 151 B 1 .
ATOM 4764 C CG   . LYS Bxp B 143 ? 19.685 36.317 74.418  1 89.215  ? 151 B 1 .
ATOM 4765 C CD   . LYS Bxp B 143 ? 19.55  35.113 75.347  1 94.03   ? 151 B 1 .
ATOM 4766 C CE   . LYS Bxp B 143 ? 20.432 33.992 74.857  1 98.712  ? 151 B 1 .
ATOM 4767 N NZ   . LYS Bxp B 143 ? 20.348 32.766 75.651  1 96.706  ? 151 B 1 .
ATOM 4768 H H    . LYS Bxp B 143 ? 19.703 39.246 75.144  1 64.213  ? 151 B 1 c
ATOM 4769 H HA   . LYS Bxp B 143 ? 21.042 37.321 76.635  1 68.69   ? 151 B 1 c
ATOM 4770 H HB3  . LYS Bxp B 143 ? 21.741 36.498 74.524  1 79.26   ? 151 B 1 c
ATOM 4771 H HB2  . LYS Bxp B 143 ? 21.059 37.732 73.808  1 79.103  ? 151 B 1 c
ATOM 4772 H HG3  . LYS Bxp B 143 ? 19.624 36.006 73.488  1 88.224  ? 151 B 1 c
ATOM 4773 H HG2  . LYS Bxp B 143 ? 18.927 36.921 74.574  1 88.005  ? 151 B 1 c
ATOM 4774 H HD3  . LYS Bxp B 143 ? 18.616 34.81  75.363  1 93.926  ? 151 B 1 c
ATOM 4775 H HD2  . LYS Bxp B 143 ? 19.818 35.365 76.258  1 93.764  ? 151 B 1 c
ATOM 4776 H HE3  . LYS Bxp B 143 ? 21.358 34.294 74.856  1 96.916  ? 151 B 1 c
ATOM 4777 H HE2  . LYS Bxp B 143 ? 20.191 33.781 73.937  1 97.045  ? 151 B 1 c
ATOM 4778 H HZ1  . LYS Bxp B 143 ? 19.732 32.209 75.289  1 97.313  ? 151 B 1 c
ATOM 4779 H HZ2  . LYS Bxp B 143 ? 20.107 32.963 76.502  1 97.298  ? 151 B 1 c
ATOM 4780 H HZ3  . LYS Bxp B 143 ? 21.154 32.352 75.659  1 97.314  ? 151 B 1 c
ATOM 4781 N N    . TYR Bxp B 144 ? 22.415 40.042 75.929  1 56.769  ? 152 B 1 .
ATOM 4782 C CA   . TYR Bxp B 144 ? 23.613 40.833 76.173  1 50.023  ? 152 B 1 .
ATOM 4783 C C    . TYR Bxp B 144 ? 24.206 40.555 77.557  1 49.67   ? 152 B 1 .
ATOM 4784 O O    . TYR Bxp B 144 ? 23.532 40.581 78.578  1 40.467  ? 152 B 1 .
ATOM 4785 C CB   . TYR Bxp B 144 ? 23.297 42.322 76.077  1 47.438  ? 152 B 1 .
ATOM 4786 C CG   . TYR Bxp B 144 ? 24.519 43.217 76.169  1 51.437  ? 152 B 1 .
ATOM 4787 C CD1  . TYR Bxp B 144 ? 25.281 43.498 75.045  1 53.858  ? 152 B 1 .
ATOM 4788 C CD2  . TYR Bxp B 144 ? 24.922 43.772 77.373  1 60.631  ? 152 B 1 .
ATOM 4789 C CE1  . TYR Bxp B 144 ? 26.389 44.325 75.1    1 50.215  ? 152 B 1 .
ATOM 4790 C CE2  . TYR Bxp B 144 ? 26.034 44.596 77.445  1 62.086  ? 152 B 1 .
ATOM 4791 C CZ   . TYR Bxp B 144 ? 26.757 44.877 76.303  1 53.39   ? 152 B 1 .
ATOM 4792 O OH   . TYR Bxp B 144 ? 27.845 45.667 76.365  1 59.351  ? 152 B 1 .
ATOM 4793 H H    . TYR Bxp B 144 ? 21.633 40.476 75.741  1 57.261  ? 152 B 1 c
ATOM 4794 H HA   . TYR Bxp B 144 ? 24.288 40.606 75.48   1 50.899  ? 152 B 1 c
ATOM 4795 H HB3  . TYR Bxp B 144 ? 22.675 42.557 76.801  1 48.951  ? 152 B 1 c
ATOM 4796 H HB2  . TYR Bxp B 144 ? 22.842 42.491 75.222  1 48.919  ? 152 B 1 c
ATOM 4797 H HD1  . TYR Bxp B 144 ? 25.023 43.134 74.213  1 52.491  ? 152 B 1 c
ATOM 4798 H HD2  . TYR Bxp B 144 ? 24.422 43.599 78.155  1 58.508  ? 152 B 1 c
ATOM 4799 H HE1  . TYR Bxp B 144 ? 26.887 44.507 74.321  1 51.903  ? 152 B 1 c
ATOM 4800 H HE2  . TYR Bxp B 144 ? 26.287 44.976 78.267  1 59.304  ? 152 B 1 c
ATOM 4801 H HH   . TYR Bxp B 144 ? 28.249 45.551 75.388  0 40.6    ? 152 B 1 c
ATOM 4802 N N    . ARG Bxp B 145 ? 25.51  40.292 77.579  1 63.351  ? 153 B 1 .
ATOM 4803 C CA   . ARG Bxp B 145 ? 26.25  40.097 78.813  1 62.257  ? 153 B 1 .
ATOM 4804 C C    . ARG Bxp B 145 ? 27.181 41.29  78.951  1 58.268  ? 153 B 1 .
ATOM 4805 O O    . ARG Bxp B 145 ? 28.085 41.444 78.139  1 65.146  ? 153 B 1 .
ATOM 4806 C CB   . ARG Bxp B 145 ? 27.028 38.776 78.743  1 64.406  ? 153 B 1 .
ATOM 4807 C CG   . ARG Bxp B 145 ? 26.167 37.58  78.36   1 70.916  ? 153 B 1 .
ATOM 4808 C CD   . ARG Bxp B 145 ? 26.937 36.274 78.075  1 85.582  ? 153 B 1 .
ATOM 4809 N NE   . ARG Bxp B 145 ? 27.841 35.796 79.136  1 100.893 ? 153 B 1 .
ATOM 4810 C CZ   . ARG Bxp B 145 ? 27.913 34.558 79.648  1 107.585 ? 153 B 1 .
ATOM 4811 N NH1  . ARG Bxp B 145 ? 27.06  33.629 79.255  1 114.922 ? 153 B 1 .
ATOM 4812 N NH2  . ARG Bxp B 145 ? 28.828 34.255 80.563  1 98.813  ? 153 B 1 .
ATOM 4813 H H    . ARG Bxp B 145 ? 25.963 40.23  76.788  1 59.381  ? 153 B 1 c
ATOM 4814 H HA   . ARG Bxp B 145 ? 25.617 40.072 79.571  1 61.831  ? 153 B 1 c
ATOM 4815 H HB3  . ARG Bxp B 145 ? 27.438 38.604 79.617  1 65.294  ? 153 B 1 c
ATOM 4816 H HB2  . ARG Bxp B 145 ? 27.751 38.867 78.086  1 65.29   ? 153 B 1 c
ATOM 4817 H HG3  . ARG Bxp B 145 ? 25.644 37.811 77.562  1 72.284  ? 153 B 1 c
ATOM 4818 H HG2  . ARG Bxp B 145 ? 25.525 37.412 79.084  1 72.36   ? 153 B 1 c
ATOM 4819 H HD3  . ARG Bxp B 145 ? 27.46  36.41  77.258  1 85.367  ? 153 B 1 c
ATOM 4820 H HD2  . ARG Bxp B 145 ? 26.279 35.578 77.882  1 85.691  ? 153 B 1 c
ATOM 4821 H HE   . ARG Bxp B 145 ? 28.394 36.38  79.472  1 98.371  ? 153 B 1 c
ATOM 4822 H HH11 . ARG Bxp B 145 ? 27.363 32.851 78.964  1 112.368 ? 153 B 1 c
ATOM 4823 H HH12 . ARG Bxp B 145 ? 26.191 33.786 79.284  1 111.576 ? 153 B 1 c
ATOM 4824 H HH21 . ARG Bxp B 145 ? 28.916 34.764 81.28   1 101.433 ? 153 B 1 c
ATOM 4825 H HH22 . ARG Bxp B 145 ? 29.344 33.547 80.45   1 101.433 ? 153 B 1 c
ATOM 4826 N N    . PRO Bxp B 146 ? 26.978 42.184 79.941  1 59.575  ? 154 B 1 .
ATOM 4827 C CA   . PRO Bxp B 146 ? 27.819 43.366 80.097  1 55.442  ? 154 B 1 .
ATOM 4828 C C    . PRO Bxp B 146 ? 29.236 43.051 80.562  1 47.834  ? 154 B 1 .
ATOM 4829 O O    . PRO Bxp B 146 ? 29.475 42.084 81.285  1 34.935  ? 154 B 1 .
ATOM 4830 C CB   . PRO Bxp B 146 ? 27.09  44.192 81.155  1 56.754  ? 154 B 1 .
ATOM 4831 C CG   . PRO Bxp B 146 ? 26.456 43.118 82.011  1 59.099  ? 154 B 1 .
ATOM 4832 C CD   . PRO Bxp B 146 ? 25.972 42.086 81.007  1 62.653  ? 154 B 1 .
ATOM 4833 H HA   . PRO Bxp B 146 ? 27.852 43.858 79.253  1 55.069  ? 154 B 1 c
ATOM 4834 H HB3  . PRO Bxp B 146 ? 26.412 44.767 80.749  1 57.003  ? 154 B 1 c
ATOM 4835 H HB2  . PRO Bxp B 146 ? 27.714 44.734 81.673  1 57.103  ? 154 B 1 c
ATOM 4836 H HG3  . PRO Bxp B 146 ? 25.708 43.476 82.528  1 59.364  ? 154 B 1 c
ATOM 4837 H HG2  . PRO Bxp B 146 ? 27.109 42.725 82.623  1 59.474  ? 154 B 1 c
ATOM 4838 H HD3  . PRO Bxp B 146 ? 25.961 41.192 81.396  1 61.117  ? 154 B 1 c
ATOM 4839 H HD2  . PRO Bxp B 146 ? 25.083 42.305 80.668  1 61.12   ? 154 B 1 c
ATOM 4840 N N    . LYS Bxp B 147 ? 30.164 43.879 80.08   1 55.474  ? 155 B 1 .
ATOM 4841 C CA   . LYS Bxp B 147 ? 31.556 43.835 80.495  1 64.968  ? 155 B 1 .
ATOM 4842 C C    . LYS Bxp B 147 ? 31.661 44.264 81.953  1 64.105  ? 155 B 1 .
ATOM 4843 O O    . LYS Bxp B 147 ? 32.469 43.731 82.692  1 66.582  ? 155 B 1 .
ATOM 4844 C CB   . LYS Bxp B 147 ? 32.423 44.729 79.601  1 65.874  ? 155 B 1 .
ATOM 4845 C CG   . LYS Bxp B 147 ? 32.589 44.217 78.195  1 76.794  ? 155 B 1 .
ATOM 4846 C CD   . LYS Bxp B 147 ? 33.104 45.252 77.201  1 89.793  ? 155 B 1 .
ATOM 4847 C CE   . LYS Bxp B 147 ? 33.185 44.675 75.829  1 92.264  ? 155 B 1 .
ATOM 4848 N NZ   . LYS Bxp B 147 ? 33.812 43.343 75.862  1 98.348  ? 155 B 1 .
ATOM 4849 H H    . LYS Bxp B 147 ? 29.918 44.5   79.456  1 55.664  ? 155 B 1 c
ATOM 4850 H HA   . LYS Bxp B 147 ? 31.875 42.9   80.416  1 62.709  ? 155 B 1 c
ATOM 4851 H HB3  . LYS Bxp B 147 ? 33.312 44.813 80.004  1 68.537  ? 155 B 1 c
ATOM 4852 H HB2  . LYS Bxp B 147 ? 32.025 45.625 79.564  1 68.055  ? 155 B 1 c
ATOM 4853 H HG3  . LYS Bxp B 147 ? 31.722 43.88  77.882  1 76.729  ? 155 B 1 c
ATOM 4854 H HG2  . LYS Bxp B 147 ? 33.212 43.459 78.22   1 77.116  ? 155 B 1 c
ATOM 4855 H HD3  . LYS Bxp B 147 ? 33.996 45.556 77.478  1 87.228  ? 155 B 1 c
ATOM 4856 H HD2  . LYS Bxp B 147 ? 32.499 46.026 77.192  1 87.229  ? 155 B 1 c
ATOM 4857 H HE3  . LYS Bxp B 147 ? 33.716 45.26  75.264  1 93.088  ? 155 B 1 c
ATOM 4858 H HE2  . LYS Bxp B 147 ? 32.293 44.601 75.447  1 93.078  ? 155 B 1 c
ATOM 4859 H HZ1  . LYS Bxp B 147 ? 33.206 42.713 76.101  1 96.079  ? 155 B 1 c
ATOM 4860 H HZ2  . LYS Bxp B 147 ? 34.51  43.333 76.44   1 96.05   ? 155 B 1 c
ATOM 4861 H HZ3  . LYS Bxp B 147 ? 34.122 43.142 75.034  1 96.293  ? 155 B 1 c
ATOM 4862 N N    . MET Bxp B 148 ? 30.827 45.229 82.34   1 74.903  ? 156 B 1 .
ATOM 4863 C CA   . MET Bxp B 148 ? 30.818 45.806 83.673  1 78.632  ? 156 B 1 .
ATOM 4864 C C    . MET Bxp B 148 ? 32.184 46.415 83.954  1 76.683  ? 156 B 1 .
ATOM 4865 O O    . MET Bxp B 148 ? 32.79  46.114 84.972  1 74.888  ? 156 B 1 .
ATOM 4866 C CB   . MET Bxp B 148 ? 30.376 44.79  84.744  1 73.498  ? 156 B 1 .
ATOM 4867 C CG   . MET Bxp B 148 ? 28.964 44.237 84.497  1 85.234  ? 156 B 1 .
ATOM 4868 S SD   . MET Bxp B 148 ? 27.629 45.466 84.396  1 90.549  ? 156 B 1 .
ATOM 4869 C CE   . MET Bxp B 148 ? 27.497 46.092 86.079  1 100.988 ? 156 B 1 .
ATOM 4870 H H    . MET Bxp B 148 ? 30.227 45.554 81.732  1 72.468  ? 156 B 1 c
ATOM 4871 H HA   . MET Bxp B 148 ? 30.167 46.551 83.664  1 76.645  ? 156 B 1 c
ATOM 4872 H HB3  . MET Bxp B 148 ? 30.4   45.226 85.622  1 77.136  ? 156 B 1 c
ATOM 4873 H HB2  . MET Bxp B 148 ? 31.015 44.046 84.76   1 77.04   ? 156 B 1 c
ATOM 4874 H HG3  . MET Bxp B 148 ? 28.745 43.611 85.216  1 83.177  ? 156 B 1 c
ATOM 4875 H HG2  . MET Bxp B 148 ? 28.971 43.728 83.663  1 82.983  ? 156 B 1 c
ATOM 4876 H HE3  . MET Bxp B 148 ? 27.74  47.035 86.095  1 98.165  ? 156 B 1 c
ATOM 4877 H HE2  . MET Bxp B 148 ? 28.098 45.59  86.66   1 98.165  ? 156 B 1 c
ATOM 4878 H HE1  . MET Bxp B 148 ? 26.579 45.987 86.393  1 97.824  ? 156 B 1 c
ATOM 4879 N N    . ARG Bxp B 149 ? 32.632 47.305 83.059  1 77.799  ? 157 B 1 .
ATOM 4880 C CA   . ARG Bxp B 149 ? 33.925 47.939 83.228  1 79.541  ? 157 B 1 .
ATOM 4881 C C    . ARG Bxp B 149 ? 33.81  49.463 83.325  1 76.128  ? 157 B 1 .
ATOM 4882 O O    . ARG Bxp B 149 ? 34.784 50.16  83.075  1 93.116  ? 157 B 1 .
ATOM 4883 C CB   . ARG Bxp B 149 ? 34.809 47.438 82.083  1 96.476  ? 157 B 1 .
ATOM 4884 C CG   . ARG Bxp B 149 ? 34.918 45.919 81.993  1 118.446 ? 157 B 1 .
ATOM 4885 C CD   . ARG Bxp B 149 ? 35.207 45.183 83.297  1 133.779 ? 157 B 1 .
ATOM 4886 N NE   . ARG Bxp B 149 ? 36.364 45.729 84.018  1 153.171 ? 157 B 1 .
ATOM 4887 C CZ   . ARG Bxp B 149 ? 36.661 45.51  85.298  1 145.11  ? 157 B 1 .
ATOM 4888 N NH1  . ARG Bxp B 149 ? 35.87  44.772 86.056  1 138.983 ? 157 B 1 .
ATOM 4889 N NH2  . ARG Bxp B 149 ? 37.753 46.038 85.821  1 139.943 ? 157 B 1 .
ATOM 4890 H H    . ARG Bxp B 149 ? 32.121 47.522 82.333  1 77.905  ? 157 B 1 c
ATOM 4891 H HA   . ARG Bxp B 149 ? 34.321 47.616 84.075  1 81.54   ? 157 B 1 c
ATOM 4892 H HB3  . ARG Bxp B 149 ? 35.707 47.812 82.2    1 96.733  ? 157 B 1 c
ATOM 4893 H HB2  . ARG Bxp B 149 ? 34.451 47.78  81.236  1 96.753  ? 157 B 1 c
ATOM 4894 H HG3  . ARG Bxp B 149 ? 35.618 45.689 81.352  1 115.877 ? 157 B 1 c
ATOM 4895 H HG2  . ARG Bxp B 149 ? 34.08  45.574 81.628  1 114.393 ? 157 B 1 c
ATOM 4896 H HD3  . ARG Bxp B 149 ? 35.378 44.241 83.09   1 134.121 ? 157 B 1 c
ATOM 4897 H HD2  . ARG Bxp B 149 ? 34.425 45.217 83.874  1 133.04  ? 157 B 1 c
ATOM 4898 H HE   . ARG Bxp B 149 ? 36.91  46.24  83.57   1 145.94  ? 157 B 1 c
ATOM 4899 H HH11 . ARG Bxp B 149 ? 35.649 43.955 85.799  1 140.527 ? 157 B 1 c
ATOM 4900 H HH12 . ARG Bxp B 149 ? 35.569 45.096 86.821  1 139.673 ? 157 B 1 c
ATOM 4901 H HH21 . ARG Bxp B 149 ? 38.003 46.853 85.588  1 141.341 ? 157 B 1 c
ATOM 4902 H HH22 . ARG Bxp B 149 ? 38.229 45.574 86.404  1 140.636 ? 157 B 1 c
ATOM 4903 N N    . LEU Bxp B 150 ? 32.655 49.978 83.763  1 58.293  ? 158 B 1 .
ATOM 4904 C CA   . LEU Bxp B 150 ? 32.464 51.398 84.009  1 49.241  ? 158 B 1 .
ATOM 4905 C C    . LEU Bxp B 150 ? 32.495 51.642 85.508  1 51.443  ? 158 B 1 .
ATOM 4906 O O    . LEU Bxp B 150 ? 31.686 51.096 86.232  1 57.046  ? 158 B 1 .
ATOM 4907 C CB   . LEU Bxp B 150 ? 31.114 51.844 83.461  1 49.825  ? 158 B 1 .
ATOM 4908 C CG   . LEU Bxp B 150 ? 31.072 52.77  82.244  1 52.581  ? 158 B 1 .
ATOM 4909 C CD1  . LEU Bxp B 150 ? 32.026 52.435 81.153  1 54.147  ? 158 B 1 .
ATOM 4910 C CD2  . LEU Bxp B 150 ? 29.651 52.696 81.695  1 54.352  ? 158 B 1 .
ATOM 4911 H H    . LEU Bxp B 150 ? 31.956 49.413 83.928  1 59.946  ? 158 B 1 c
ATOM 4912 H HA   . LEU Bxp B 150 ? 33.19  51.909 83.572  1 51.857  ? 158 B 1 c
ATOM 4913 H HB3  . LEU Bxp B 150 ? 30.623 52.287 84.191  1 50.377  ? 158 B 1 c
ATOM 4914 H HB2  . LEU Bxp B 150 ? 30.596 51.035 83.244  1 50.469  ? 158 B 1 c
ATOM 4915 H HG   . LEU Bxp B 150 ? 31.248 53.699 82.547  1 52.675  ? 158 B 1 c
ATOM 4916 H HD11 . LEU Bxp B 150 ? 32.919 52.731 81.398  1 53.659  ? 158 B 1 c
ATOM 4917 H HD12 . LEU Bxp B 150 ? 31.753 52.881 80.333  1 53.673  ? 158 B 1 c
ATOM 4918 H HD13 . LEU Bxp B 150 ? 32.032 51.473 81.011  1 53.669  ? 158 B 1 c
ATOM 4919 H HD21 . LEU Bxp B 150 ? 29.015 52.831 82.418  1 53.794  ? 158 B 1 c
ATOM 4920 H HD22 . LEU Bxp B 150 ? 29.503 51.824 81.293  1 53.795  ? 158 B 1 c
ATOM 4921 H HD23 . LEU Bxp B 150 ? 29.526 53.387 81.023  1 53.812  ? 158 B 1 c
ATOM 4922 N N    . ARG Bxp B 151 ? 33.395 52.508 85.965  1 63.952  ? 159 B 1 .
ATOM 4923 C CA   . ARG Bxp B 151 ? 33.468 52.888 87.371  1 63.652  ? 159 B 1 .
ATOM 4924 C C    . ARG Bxp B 151 ? 32.53  54.072 87.644  1 62.726  ? 159 B 1 .
ATOM 4925 O O    . ARG Bxp B 151 ? 32.324 54.929 86.781  1 68.628  ? 159 B 1 .
ATOM 4926 C CB   . ARG Bxp B 151 ? 34.941 53.18  87.694  1 73.649  ? 159 B 1 .
ATOM 4927 C CG   . ARG Bxp B 151 ? 35.84  51.956 87.555  1 88.679  ? 159 B 1 .
ATOM 4928 C CD   . ARG Bxp B 151 ? 37.302 52.334 87.505  1 98.369  ? 159 B 1 .
ATOM 4929 N NE   . ARG Bxp B 151 ? 38.047 51.657 86.436  1 123.352 ? 159 B 1 .
ATOM 4930 C CZ   . ARG Bxp B 151 ? 38.543 50.426 86.501  1 127.047 ? 159 B 1 .
ATOM 4931 N NH1  . ARG Bxp B 151 ? 38.348 49.704 87.59   1 105.509 ? 159 B 1 .
ATOM 4932 N NH2  . ARG Bxp B 151 ? 39.237 49.935 85.483  1 132.394 ? 159 B 1 .
ATOM 4933 H H    . ARG Bxp B 151 ? 33.991 52.881 85.381  1 60.651  ? 159 B 1 c
ATOM 4934 H HA   . ARG Bxp B 151 ? 33.174 52.118 87.919  1 65.045  ? 159 B 1 c
ATOM 4935 H HB3  . ARG Bxp B 151 ? 35.002 53.514 88.614  1 74.384  ? 159 B 1 c
ATOM 4936 H HB2  . ARG Bxp B 151 ? 35.264 53.886 87.095  1 74.531  ? 159 B 1 c
ATOM 4937 H HG3  . ARG Bxp B 151 ? 35.606 51.471 86.734  1 87.11   ? 159 B 1 c
ATOM 4938 H HG2  . ARG Bxp B 151 ? 35.691 51.356 88.316  1 87.079  ? 159 B 1 c
ATOM 4939 H HD3  . ARG Bxp B 151 ? 37.715 52.128 88.368  1 101.283 ? 159 B 1 c
ATOM 4940 H HD2  . ARG Bxp B 151 ? 37.354 53.297 87.368  1 100.899 ? 159 B 1 c
ATOM 4941 H HE   . ARG Bxp B 151 ? 38.167 52.09  85.69   1 117.971 ? 159 B 1 c
ATOM 4942 H HH11 . ARG Bxp B 151 ? 38.792 49.898 88.33   1 111.724 ? 159 B 1 c
ATOM 4943 H HH12 . ARG Bxp B 151 ? 37.776 49.031 87.574  1 111.724 ? 159 B 1 c
ATOM 4944 H HH21 . ARG Bxp B 151 ? 39.891 50.412 85.127  1 130.725 ? 159 B 1 c
ATOM 4945 H HH22 . ARG Bxp B 151 ? 39.043 49.133 85.166  1 130.725 ? 159 B 1 c
ATOM 4946 N N    . PHE Bxp B 152 ? 31.946 54.124 88.849  1 53.415  ? 160 B 1 .
ATOM 4947 C CA   . PHE Bxp B 152 ? 31.122 55.258 89.226  1 49.904  ? 160 B 1 .
ATOM 4948 C C    . PHE Bxp B 152 ? 31.453 55.765 90.638  1 50.712  ? 160 B 1 .
ATOM 4949 O O    . PHE Bxp B 152 ? 31.196 57     90.862  1 43.797  ? 160 B 1 .
ATOM 4950 C CB   . PHE Bxp B 152 ? 29.675 54.796 89.147  1 52.777  ? 160 B 1 .
ATOM 4951 C CG   . PHE Bxp B 152 ? 29.159 54.631 87.731  1 50.137  ? 160 B 1 .
ATOM 4952 C CD1  . PHE Bxp B 152 ? 28.931 55.746 86.941  1 55.222  ? 160 B 1 .
ATOM 4953 C CD2  . PHE Bxp B 152 ? 28.887 53.372 87.22   1 49.704  ? 160 B 1 .
ATOM 4954 C CE1  . PHE Bxp B 152 ? 28.447 55.611 85.655  1 54.273  ? 160 B 1 .
ATOM 4955 C CE2  . PHE Bxp B 152 ? 28.424 53.233 85.936  1 54.676  ? 160 B 1 .
ATOM 4956 C CZ   . PHE Bxp B 152 ? 28.209 54.354 85.154  1 62.039  ? 160 B 1 .
ATOM 4957 O OXT  . PHE Bxp B 152 ? 31.911 54.925 91.471  1 44.272  ? 160 B 1 .
ATOM 4958 H H    . PHE Bxp B 152 ? 32.057 53.437 89.442  1 54.795  ? 160 B 1 c
ATOM 4959 H HA   . PHE Bxp B 152 ? 31.263 55.997 88.577  1 51.411  ? 160 B 1 c
ATOM 4960 H HB3  . PHE Bxp B 152 ? 29.111 55.451 89.615  1 51.495  ? 160 B 1 c
ATOM 4961 H HB2  . PHE Bxp B 152 ? 29.595 53.937 89.618  1 51.497  ? 160 B 1 c
ATOM 4962 H HD1  . PHE Bxp B 152 ? 29.103 56.606 87.288  1 53.815  ? 160 B 1 c
ATOM 4963 H HD2  . PHE Bxp B 152 ? 29.045 52.607 87.749  1 51.074  ? 160 B 1 c
ATOM 4964 H HE1  . PHE Bxp B 152 ? 28.304 56.375 85.119  1 56.137  ? 160 B 1 c
ATOM 4965 H HE2  . PHE Bxp B 152 ? 28.25  52.374 85.59   1 54.954  ? 160 B 1 c
ATOM 4966 H HZ   . PHE Bxp B 152 ? 27.879 54.256 84.275  1 58.229  ? 160 B 1 c

loop_
_struct_conn_type.id
disulf


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_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_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_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_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_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_MET
_chem_comp.id                     MET
_chem_comp.group                  peptide

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

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
MET N  CA  single n 1.487 0.01   1.487 0.01
MET CA C   single n 1.538 0.0113 1.538 0.0113
MET CA CB  single n 1.533 0.01   1.533 0.01
MET C  O   double n 1.251 0.0183 1.251 0.0183
MET C  OXT single n 1.251 0.0183 1.251 0.0183
MET CB CG  single n 1.517 0.0186 1.517 0.0186
MET CG SD  single n 1.804 0.01   1.804 0.01
MET SD CE  single n 1.798 0.01   1.798 0.01
MET N  H   single n 0.902 0.0102 1.018 0.052
MET N  H2  single n 0.902 0.0102 1.018 0.052
MET N  H3  single n 0.902 0.0102 1.018 0.052
MET CA HA  single n 0.991 0.02   1.092 0.01
MET CB HB3 single n 0.981 0.0141 1.092 0.01
MET CB HB2 single n 0.981 0.0141 1.092 0.01
MET CG HG3 single n 0.978 0.02   1.092 0.01
MET CG HG2 single n 0.978 0.02   1.092 0.01
MET CE HE3 single n 0.975 0.011  1.092 0.01
MET CE HE2 single n 0.975 0.011  1.092 0.01
MET CE HE1 single n 0.975 0.011  1.092 0.01

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
MET CA  N  H   109.99  3
MET CA  N  H2  109.99  3
MET CA  N  H3  109.99  3
MET H   N  H2  109.032 3
MET H   N  H3  109.032 3
MET H2  N  H3  109.032 3
MET N   CA C   109.258 1.5
MET N   CA CB  110.97  1.5
MET N   CA HA  108.387 1.58
MET C   CA CB  109.608 2.17
MET C   CA HA  108.774 1.79
MET CB  CA HA  109.55  1.56
MET CA  C  O   117.148 1.6
MET CA  C  OXT 117.148 1.6
MET O   C  OXT 125.704 1.5
MET CA  CB CG  113.978 1.6
MET CA  CB HB3 108.606 1.5
MET CA  CB HB2 108.606 1.5
MET CG  CB HB3 108.93  1.5
MET CG  CB HB2 108.93  1.5
MET HB3 CB HB2 107.726 1.5
MET CB  CG SD  112.846 3
MET CB  CG HG3 109.287 1.5
MET CB  CG HG2 109.287 1.5
MET SD  CG HG3 108.733 1.5
MET SD  CG HG2 108.733 1.5
MET HG3 CG HG2 107.881 1.5
MET CG  SD CE  100.693 3
MET SD  CE HE3 109.472 1.5
MET SD  CE HE2 109.472 1.5
MET SD  CE HE1 109.472 1.5
MET HE3 CE HE2 109.569 2.44
MET HE3 CE HE1 109.569 2.44
MET HE2 CE HE1 109.569 2.44

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
MET chi1      N  CA CB CG  -60 10 3
MET chi2      CA CB CG SD  180 10 3
MET chi3      CB CG SD CE  180 10 3
MET hh1       CG SD CE HE3 60  10 3
MET sp3_sp3_1 C  CA N  H   180 10 3
MET sp2_sp3_1 O  C  CA N   0   10 6

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

loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
MET plan-1 C   0.02
MET plan-1 CA  0.02
MET plan-1 O   0.02
MET plan-1 OXT 0.02

data_ARG
_chem_comp.id                     ARG
_chem_comp.group                  peptide

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

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
ARG N   CA   single n 1.487 0.01   1.487 0.01
ARG CA  C    single n 1.538 0.0113 1.538 0.0113
ARG CA  CB   single n 1.533 0.01   1.533 0.01
ARG C   O    double n 1.251 0.0183 1.251 0.0183
ARG C   OXT  single n 1.251 0.0183 1.251 0.0183
ARG CB  CG   single n 1.522 0.01   1.522 0.01
ARG CG  CD   single n 1.521 0.02   1.521 0.02
ARG CD  NE   single n 1.467 0.01   1.467 0.01
ARG NE  CZ   single n 1.327 0.0153 1.327 0.0153
ARG CZ  NH1  single n 1.321 0.0134 1.321 0.0134
ARG CZ  NH2  double n 1.321 0.0134 1.321 0.0134
ARG N   H    single n 0.902 0.0102 1.018 0.052
ARG N   H2   single n 0.902 0.0102 1.018 0.052
ARG N   H3   single n 0.902 0.0102 1.018 0.052
ARG CA  HA   single n 0.991 0.02   1.092 0.01
ARG CB  HB3  single n 0.981 0.0141 1.092 0.01
ARG CB  HB2  single n 0.981 0.0141 1.092 0.01
ARG CG  HG3  single n 0.982 0.0161 1.092 0.01
ARG CG  HG2  single n 0.982 0.0161 1.092 0.01
ARG CD  HD3  single n 0.979 0.0175 1.092 0.01
ARG CD  HD2  single n 0.979 0.0175 1.092 0.01
ARG NE  HE   single n 0.871 0.02   1.013 0.012
ARG NH1 HH11 single n 0.884 0.02   1.013 0.012
ARG NH1 HH12 single n 0.884 0.02   1.013 0.012
ARG NH2 HH21 single n 0.884 0.02   1.013 0.012
ARG NH2 HH22 single n 0.884 0.02   1.013 0.012

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
ARG CA   N   H    109.99  3
ARG CA   N   H2   109.99  3
ARG CA   N   H3   109.99  3
ARG H    N   H2   109.032 3
ARG H    N   H3   109.032 3
ARG H2   N   H3   109.032 3
ARG N    CA  C    109.258 1.5
ARG N    CA  CB   110.44  2.46
ARG N    CA  HA   108.387 1.58
ARG C    CA  CB   111.059 3
ARG C    CA  HA   108.774 1.79
ARG CB   CA  HA   109.08  2.33
ARG CA   C   O    117.148 1.6
ARG CA   C   OXT  117.148 1.6
ARG O    C   OXT  125.704 1.5
ARG CA   CB  CG   114.16  3
ARG CA   CB  HB3  108.677 1.74
ARG CA   CB  HB2  108.677 1.74
ARG CG   CB  HB3  108.721 1.5
ARG CG   CB  HB2  108.721 1.5
ARG HB3  CB  HB2  107.655 1.5
ARG CB   CG  CD   112.025 3
ARG CB   CG  HG3  109.216 1.64
ARG CB   CG  HG2  109.216 1.64
ARG CD   CG  HG3  108.991 1.5
ARG CD   CG  HG2  108.991 1.5
ARG HG3  CG  HG2  107.958 2.23
ARG CG   CD  NE   112.275 3
ARG CG   CD  HD3  109.172 2.35
ARG CG   CD  HD2  109.172 2.35
ARG NE   CD  HD3  109.193 1.5
ARG NE   CD  HD2  109.193 1.5
ARG HD3  CD  HD2  107.932 1.94
ARG CD   NE  CZ   124.614 2.32
ARG CD   NE  HE   117.935 2.37
ARG CZ   NE  HE   117.451 2.77
ARG NE   CZ  NH1  120.032 1.9
ARG NE   CZ  NH2  120.032 1.9
ARG NH1  CZ  NH2  119.937 1.95
ARG CZ   NH1 HH11 119.775 3
ARG CZ   NH1 HH12 119.775 3
ARG HH11 NH1 HH12 120.45  3
ARG CZ   NH2 HH21 119.775 3
ARG CZ   NH2 HH22 119.775 3
ARG HH21 NH2 HH22 120.45  3

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
ARG chi1      N  CA CB  CG   -60 10 3
ARG chi2      CA CB CG  CD   180 10 3
ARG chi3      CB CG CD  NE   60  10 3
ARG chi4      CG CD NE  CZ   180 10 6
ARG chi5      CD NE CZ  NH2  0   5  2
ARG hh1       NE CZ NH1 HH12 0   5  2
ARG hh2       NE CZ NH2 HH22 0   5  2
ARG sp3_sp3_1 C  CA N   H    180 10 3
ARG sp2_sp3_1 O  C  CA  N    0   10 6

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

loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
ARG plan-1 C    0.02
ARG plan-1 CA   0.02
ARG plan-1 O    0.02
ARG plan-1 OXT  0.02
ARG plan-2 CD   0.02
ARG plan-2 CZ   0.02
ARG plan-2 HE   0.02
ARG plan-2 NE   0.02
ARG plan-3 CZ   0.02
ARG plan-3 NE   0.02
ARG plan-3 NH1  0.02
ARG plan-3 NH2  0.02
ARG plan-4 CZ   0.02
ARG plan-4 HH11 0.02
ARG plan-4 HH12 0.02
ARG plan-4 NH1  0.02
ARG plan-5 CZ   0.02
ARG plan-5 HH21 0.02
ARG plan-5 HH22 0.02
ARG plan-5 NH2  0.02

data_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_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_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_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_ALA
_chem_comp.id                     ALA
_chem_comp.group                  peptide

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

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
ALA N  CA  single n 1.483 0.01   1.483 0.01
ALA CA C   single n 1.531 0.01   1.531 0.01
ALA CA CB  single n 1.513 0.0158 1.513 0.0158
ALA C  O   double n 1.251 0.0183 1.251 0.0183
ALA C  OXT single n 1.251 0.0183 1.251 0.0183
ALA N  H   single n 0.902 0.0102 1.018 0.052
ALA N  H2  single n 0.902 0.0102 1.018 0.052
ALA N  H3  single n 0.902 0.0102 1.018 0.052
ALA CA HA  single n 0.997 0.02   1.092 0.01
ALA CB HB3 single n 0.972 0.0148 1.092 0.01
ALA CB HB2 single n 0.972 0.0148 1.092 0.01
ALA CB HB1 single n 0.972 0.0148 1.092 0.01

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
ALA CA  N  H   109.611 2.03
ALA CA  N  H2  109.611 2.03
ALA CA  N  H3  109.611 2.03
ALA H   N  H2  109.032 3
ALA H   N  H3  109.032 3
ALA H2  N  H3  109.032 3
ALA N   CA C   109.72  1.5
ALA N   CA CB  109.927 1.5
ALA N   CA HA  108.247 1.5
ALA C   CA CB  111.515 1.5
ALA C   CA HA  108.267 1.5
ALA CB  CA HA  109.172 1.57
ALA CA  C  O   117.191 2.33
ALA CA  C  OXT 117.191 2.33
ALA O   C  OXT 125.618 1.5
ALA CA  CB HB3 109.742 1.5
ALA CA  CB HB2 109.742 1.5
ALA CA  CB HB1 109.742 1.5
ALA HB3 CB HB2 109.365 1.6
ALA HB3 CB HB1 109.365 1.6
ALA HB2 CB HB1 109.365 1.6

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
ALA hh1       N CA CB HB3 180 10 3
ALA sp3_sp3_1 C CA N  H   180 10 3
ALA sp2_sp3_1 O C  CA N   0   10 6

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

loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
ALA plan-1 C   0.02
ALA plan-1 CA  0.02
ALA plan-1 O   0.02
ALA plan-1 OXT 0.02

data_GLY
_chem_comp.id                     GLY
_chem_comp.group                  peptide

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

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
GLY N  CA  single n 1.476 0.0106 1.476 0.0106
GLY CA C   single n 1.517 0.0121 1.517 0.0121
GLY C  O   double n 1.249 0.0161 1.249 0.0161
GLY C  OXT single n 1.249 0.0161 1.249 0.0161
GLY N  H   single n 0.905 0.02   1.018 0.052
GLY N  H2  single n 0.905 0.02   1.018 0.052
GLY N  H3  single n 0.905 0.02   1.018 0.052
GLY CA HA3 single n 0.986 0.02   1.092 0.01
GLY CA HA2 single n 0.986 0.02   1.092 0.01

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
GLY CA  N  H   110.151 2.94
GLY CA  N  H2  110.151 2.94
GLY CA  N  H3  110.151 2.94
GLY H   N  H2  109.089 3
GLY H   N  H3  109.089 3
GLY H2  N  H3  109.089 3
GLY N   CA C   111.292 1.5
GLY N   CA HA3 109.172 1.5
GLY N   CA HA2 109.172 1.5
GLY C   CA HA3 109.62  1.5
GLY C   CA HA2 109.62  1.5
GLY HA3 CA HA2 108.054 1.5
GLY CA  C  O   117.08  1.5
GLY CA  C  OXT 117.08  1.5
GLY O   C  OXT 125.839 1.5

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
GLY sp3_sp3_1 C CA N  H   180 10 3
GLY sp2_sp3_1 O C  CA HA3 0   10 6

loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
GLY plan-1 C   0.02
GLY plan-1 CA  0.02
GLY plan-1 O   0.02
GLY plan-1 OXT 0.02

data_CYS
_chem_comp.id                     CYS
_chem_comp.group                  peptide

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

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
CYS N  CA  single n 1.487 0.01   1.487 0.01
CYS CA C   single n 1.538 0.0113 1.538 0.0113
CYS CA CB  single n 1.524 0.01   1.524 0.01
CYS C  O   double n 1.251 0.0183 1.251 0.0183
CYS C  OXT single n 1.251 0.0183 1.251 0.0183
CYS CB SG  single n 1.812 0.0101 1.812 0.0101
CYS N  H   single n 0.902 0.0102 1.018 0.052
CYS N  H2  single n 0.902 0.0102 1.018 0.052
CYS N  H3  single n 0.902 0.0102 1.018 0.052
CYS CA HA  single n 0.991 0.02   1.092 0.01
CYS CB HB3 single n 0.983 0.0131 1.092 0.01
CYS CB HB2 single n 0.983 0.0131 1.092 0.01
CYS SG HG  single n 1.212 0.02   1.338 0.01

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
CYS CA  N  H   109.684 2.12
CYS CA  N  H2  109.684 2.12
CYS CA  N  H3  109.684 2.12
CYS H   N  H2  109.032 3
CYS H   N  H3  109.032 3
CYS H2  N  H3  109.032 3
CYS N   CA C   109.504 1.5
CYS N   CA CB  110.927 1.5
CYS N   CA HA  107.886 1.5
CYS C   CA CB  110.126 3
CYS C   CA HA  108.362 1.5
CYS CB  CA HA  108.525 2.42
CYS CA  C  O   117.126 1.5
CYS CA  C  OXT 117.126 1.5
CYS O   C  OXT 125.747 1.5
CYS CA  CB SG  113.492 1.5
CYS CA  CB HB3 109.109 1.5
CYS CA  CB HB2 109.109 1.5
CYS SG  CB HB3 108.513 1.5
CYS SG  CB HB2 108.513 1.5
CYS HB3 CB HB2 107.963 1.5
CYS CB  SG HG  97.543  3

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
CYS chi1      N  CA CB SG -60 10 3
CYS chi2      CA CB SG HG 180 10 3
CYS sp3_sp3_1 C  CA N  H  180 10 3
CYS sp2_sp3_1 O  C  CA N  0   10 6

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

loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
CYS plan-1 C   0.02
CYS plan-1 CA  0.02
CYS plan-1 O   0.02
CYS plan-1 OXT 0.02

data_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_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_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_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_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_disulf
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
disulf 1 SG 2 SG single 2.031 .020

loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
disulf 1 CB 1 SG 2 SG 103.800 1.800
disulf 1 SG 2 SG 2 CB 103.800 1.800

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
disulf ss 1 CB 1 SG 2 SG 2 CB 90.00 10.0 2

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
disulf SS-bridge CYS CYS-SS peptide CYS CYS-SS 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

data_mod_CYS-SS
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
CYS-SS delete HG . . . .000

loop_
_chem_mod.id
_chem_mod.name
_chem_mod.comp_id
_chem_mod.group_id
CYS-SS HG-deletete CYS peptide
