data_1u9o
_entry.id                         1u9o

_cell.entry_id                    1u9o
_cell.length_a                    140.5
_cell.length_b                    140.5
_cell.length_c                    76.69
_cell.angle_alpha                 90
_cell.angle_beta                  90
_cell.angle_gamma                 120

_symmetry.entry_id                1u9o
_symmetry.space_group_name_H-M    "H 3"
_symmetry.Int_Tables_number       146

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   GLY ?
A 2   ASP ?
A 3   ASP ?
A 4   ARG ?
A 5   GLU ?
A 6   LEU ?
A 7   ALA ?
A 8   ILE ?
A 9   LEU ?
A 10  ALA ?
A 11  THR ?
A 12  ALA ?
A 13  GLU ?
A 14  ASN ?
A 15  LEU ?
A 16  LEU ?
A 17  GLU ?
A 18  ASP ?
A 19  ARG ?
A 20  PRO ?
A 21  LEU ?
A 22  ALA ?
A 23  ASP ?
A 24  ILE ?
A 25  SER ?
A 26  VAL ?
A 27  ASP ?
A 28  ASP ?
A 29  LEU ?
A 30  ALA ?
A 31  LYS ?
A 32  GLY ?
A 33  ALA ?
A 34  GLY ?
A 35  ILE ?
A 36  SER ?
A 37  ARG ?
A 38  PRO ?
A 39  THR ?
A 40  PHE ?
A 41  TYR ?
A 42  PHE ?
A 43  TYR ?
A 44  PHE ?
A 45  PRO ?
A 46  SER ?
A 47  LYS ?
A 48  GLU ?
A 49  ALA ?
A 50  VAL ?
A 51  LEU ?
A 52  LEU ?
A 53  THR ?
A 54  LEU ?
A 55  LEU ?
A 56  ASP ?
A 57  ARG ?
A 58  VAL ?
A 59  VAL ?
A 60  ASN ?
A 61  GLN ?
A 62  ALA ?
A 63  ASP ?
A 64  MET ?
A 65  ALA ?
A 66  LEU ?
A 67  GLN ?
A 68  THR ?
A 69  LEU ?
A 70  ALA ?
A 71  GLU ?
A 72  ASN ?
A 73  PRO ?
A 74  ALA ?
A 75  ASP ?
A 76  THR ?
A 77  ASP ?
A 78  ARG ?
A 79  GLU ?
A 80  ASN ?
A 81  MET ?
A 82  TRP ?
A 83  ARG ?
A 84  THR ?
A 85  GLY ?
A 86  ILE ?
A 87  ASN ?
A 88  VAL ?
A 89  PHE ?
A 90  PHE ?
A 91  GLU ?
A 92  THR ?
A 93  PHE ?
A 94  GLY ?
A 95  SER ?
A 96  HIS ?
A 97  LYS ?
A 98  ALA ?
A 99  VAL ?
A 100 THR ?
A 101 ARG ?
A 102 ALA ?
A 103 GLY ?
A 104 GLN ?
A 105 ALA ?
A 106 ALA ?
A 107 ARG ?
A 108 ALA ?
A 109 THR ?
A 110 SER ?
A 111 VAL ?
A 112 GLU ?
A 113 VAL ?
A 114 ALA ?
A 115 GLU ?
A 116 LEU ?
A 117 TRP ?
A 118 SER ?
A 119 THR ?
A 120 PHE ?
A 121 MET ?
A 122 GLN ?
A 123 LYS ?
A 124 TRP ?
A 125 ILE ?
A 126 ALA ?
A 127 TYR ?
A 128 THR ?
A 129 ALA ?
A 130 ALA ?
A 131 VAL ?
A 132 ILE ?
A 133 ASP ?
A 134 ALA ?
A 135 GLU ?
A 136 ARG ?
A 137 ASP ?
A 138 ARG ?
A 139 GLY ?
A 140 ALA ?
A 141 ALA ?
A 142 PRO ?
A 143 ARG ?
A 144 THR ?
A 145 LEU ?
A 146 PRO ?
A 147 ALA ?
A 148 HIS ?
A 149 GLU ?
A 150 LEU ?
A 151 ALA ?
A 152 THR ?
A 153 ALA ?
A 154 LEU ?
A 155 ASN ?
A 156 LEU ?
A 157 MET ?
A 158 ASN ?
A 159 GLU ?
A 160 ARG ?
A 161 THR ?
A 162 LEU ?
A 163 PHE ?
A 164 ALA ?
A 165 SER ?
A 166 PHE ?
A 167 ALA ?
A 168 GLY ?
A 169 GLU ?
A 170 GLN ?
A 171 PRO ?
A 172 SER ?
A 173 VAL ?
A 174 PRO ?
A 175 GLU ?
A 176 ALA ?
A 177 ARG ?
A 178 VAL ?
A 179 LEU ?
A 180 ASP ?
A 181 THR ?
A 182 LEU ?
A 183 VAL ?
A 184 HIS ?
A 185 ILE ?
A 186 TRP ?
A 187 VAL ?
A 188 THR ?
A 189 SER ?
A 190 ILE ?
A 191 TYR ?
A 192 GLY ?
A 193 GLU ?
A 194 ASN ?
B 1   GLY ?
B 2   ASP ?
B 3   ASP ?
B 4   ARG ?
B 5   GLU ?
B 6   LEU ?
B 7   ALA ?
B 8   ILE ?
B 9   LEU ?
B 10  ALA ?
B 11  THR ?
B 12  ALA ?
B 13  GLU ?
B 14  ASN ?
B 15  LEU ?
B 16  LEU ?
B 17  GLU ?
B 18  ASP ?
B 19  ARG ?
B 20  PRO ?
B 21  LEU ?
B 22  ALA ?
B 23  ASP ?
B 24  ILE ?
B 25  SER ?
B 26  VAL ?
B 27  ASP ?
B 28  ASP ?
B 29  LEU ?
B 30  ALA ?
B 31  LYS ?
B 32  GLY ?
B 33  ALA ?
B 34  GLY ?
B 35  ILE ?
B 36  SER ?
B 37  ARG ?
B 38  PRO ?
B 39  THR ?
B 40  PHE ?
B 41  TYR ?
B 42  PHE ?
B 43  TYR ?
B 44  PHE ?
B 45  PRO ?
B 46  SER ?
B 47  LYS ?
B 48  GLU ?
B 49  ALA ?
B 50  VAL ?
B 51  LEU ?
B 52  LEU ?
B 53  THR ?
B 54  LEU ?
B 55  LEU ?
B 56  ASP ?
B 57  ARG ?
B 58  VAL ?
B 59  VAL ?
B 60  ASN ?
B 61  GLN ?
B 62  ALA ?
B 63  ASP ?
B 64  MET ?
B 65  ALA ?
B 66  LEU ?
B 67  GLN ?
B 68  THR ?
B 69  LEU ?
B 70  ALA ?
B 71  GLU ?
B 72  ASN ?
B 73  PRO ?
B 74  ALA ?
B 75  ASP ?
B 76  THR ?
B 77  ASP ?
B 78  ARG ?
B 79  GLU ?
B 80  ASN ?
B 81  MET ?
B 82  TRP ?
B 83  ARG ?
B 84  THR ?
B 85  GLY ?
B 86  ILE ?
B 87  ASN ?
B 88  VAL ?
B 89  PHE ?
B 90  PHE ?
B 91  GLU ?
B 92  THR ?
B 93  PHE ?
B 94  GLY ?
B 95  SER ?
B 96  HIS ?
B 97  LYS ?
B 98  ALA ?
B 99  VAL ?
B 100 THR ?
B 101 ARG ?
B 102 ALA ?
B 103 GLY ?
B 104 GLN ?
B 105 ALA ?
B 106 ALA ?
B 107 ARG ?
B 108 ALA ?
B 109 THR ?
B 110 SER ?
B 111 VAL ?
B 112 GLU ?
B 113 VAL ?
B 114 ALA ?
B 115 GLU ?
B 116 LEU ?
B 117 TRP ?
B 118 SER ?
B 119 THR ?
B 120 PHE ?
B 121 MET ?
B 122 GLN ?
B 123 LYS ?
B 124 TRP ?
B 125 ILE ?
B 126 ALA ?
B 127 TYR ?
B 128 THR ?
B 129 ALA ?
B 130 ALA ?
B 131 VAL ?
B 132 ILE ?
B 133 ASP ?
B 134 ALA ?
B 135 GLU ?
B 136 ARG ?
B 137 ASP ?
B 138 ARG ?
B 139 GLY ?
B 140 ALA ?
B 141 ALA ?
B 142 PRO ?
B 143 ARG ?
B 144 THR ?
B 145 LEU ?
B 146 PRO ?
B 147 ALA ?
B 148 HIS ?
B 149 GLU ?
B 150 LEU ?
B 151 ALA ?
B 152 THR ?
B 153 ALA ?
B 154 LEU ?
B 155 ASN ?
B 156 LEU ?
B 157 MET ?
B 158 ASN ?
B 159 GLU ?
B 160 ARG ?
B 161 THR ?
B 162 LEU ?
B 163 PHE ?
B 164 ALA ?
B 165 SER ?
B 166 PHE ?
B 167 ALA ?
B 168 GLY ?
B 169 GLU ?
B 170 GLN ?
B 171 PRO ?
B 172 SER ?
B 173 VAL ?
B 174 PRO ?
B 175 GLU ?
B 176 ALA ?
B 177 ARG ?
B 178 VAL ?
B 179 LEU ?
B 180 ASP ?
B 181 THR ?
B 182 LEU ?
B 183 VAL ?
B 184 HIS ?
B 185 ILE ?
B 186 TRP ?
B 187 VAL ?
B 188 THR ?
B 189 SER ?
B 190 ILE ?
B 191 TYR ?
B 192 GLY ?
B 193 GLU ?
B 194 ASN ?

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                77.869
_refine.aniso_B[1][1]             0.175
_refine.aniso_B[2][2]             0.175
_refine.aniso_B[3][3]             -0.569
_refine.aniso_B[1][2]             0.088
_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             3.311
_refine.ls_d_res_low              19.484
_refine.ls_number_reflns_R_work   7804
_refine.ls_number_reflns_R_free   411
_refine.ls_number_reflns_obs      8215
_refine.ls_R_factor_R_work        0.1695
_refine.ls_R_factor_R_free        0.2449
_refine.ls_R_factor_all           0.173
_refine.ls_wR_factor_R_work       0.153
_refine.ls_wR_factor_R_free       0.226
_refine.ls_percent_reflns_obs     97.542
_refine.ls_percent_reflns_R_free  5.003
_refine.correlation_coeff_Fo_to_Fc 0.956
_refine.correlation_coeff_Fo_to_Fc_free 0.897
_refine.pdbx_overall_ESU_R        ?
_refine.pdbx_overall_ESU_R_Free   0.518
_refine.overall_SU_ML             0.414
_refine.overall_SU_B              26.303
_refine.pdbx_average_fsc_overall  ?
_refine.pdbx_average_fsc_work     0.9778
_refine.pdbx_average_fsc_free     0.9546
_refine.entry_id                  1u9o
_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 19.484 11.898 140 92.8571  123 0.154 0.153 7  0.127 0.162 0.985 0.996 "X-RAY DIFFRACTION"
20 11.898 9.328  193 90.6736  166 0.120 0.123 9  0.170 0.131 0.991 0.984 "X-RAY DIFFRACTION"
20 9.328  7.925  239 93.3054  212 0.110 0.113 11 0.161 0.121 0.993 0.984 "X-RAY DIFFRACTION"
20 7.925  7.009  274 94.8905  247 0.147 0.152 13 0.245 0.148 0.989 0.969 "X-RAY DIFFRACTION"
20 7.009  6.352  305 95.7377  278 0.174 0.176 14 0.208 0.169 0.981 0.975 "X-RAY DIFFRACTION"
20 6.352  5.851  344 97.3837  318 0.154 0.160 17 0.309 0.144 0.986 0.980 "X-RAY DIFFRACTION"
20 5.851  5.452  351 97.7208  326 0.163 0.168 17 0.270 0.152 0.986 0.956 "X-RAY DIFFRACTION"
20 5.452  5.125  392 97.4490  363 0.181 0.188 19 0.340 0.171 0.981 0.951 "X-RAY DIFFRACTION"
20 5.125  4.851  389 98.4576  363 0.178 0.181 20 0.241 0.169 0.983 0.961 "X-RAY DIFFRACTION"
20 4.851  4.616  451 99.1131  425 0.152 0.159 22 0.306 0.141 0.986 0.956 "X-RAY DIFFRACTION"
20 4.616  4.412  432 99.3056  408 0.135 0.139 21 0.200 0.126 0.988 0.975 "X-RAY DIFFRACTION"
20 4.412  4.234  462 99.3506  436 0.148 0.150 23 0.185 0.135 0.987 0.972 "X-RAY DIFFRACTION"
20 4.234  4.075  498 99.7992  472 0.157 0.160 25 0.198 0.138 0.985 0.971 "X-RAY DIFFRACTION"
20 4.075  3.933  513 99.8051  486 0.174 0.178 26 0.249 0.157 0.982 0.957 "X-RAY DIFFRACTION"
20 3.933  3.805  513 100.0000 488 0.179 0.183 25 0.258 0.152 0.981 0.960 "X-RAY DIFFRACTION"
20 3.805  3.688  530 100.0000 503 0.181 0.185 27 0.282 0.157 0.980 0.947 "X-RAY DIFFRACTION"
20 3.688  3.582  579 100.0000 550 0.200 0.205 29 0.303 0.180 0.975 0.945 "X-RAY DIFFRACTION"
20 3.582  3.484  578 99.8270  548 0.243 0.247 29 0.321 0.216 0.965 0.936 "X-RAY DIFFRACTION"
20 3.484  3.394  581 100.0000 552 0.259 0.263 29 0.355 0.235 0.960 0.900 "X-RAY DIFFRACTION"
20 3.394  3.311  617 91.8963  539 0.318 0.318 28 0.319 0.290 0.941 0.928 "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               3084  0.006  0.012  "X-RAY DIFFRACTION"
r_bond_other_d                 2890  0.001  0.016  "X-RAY DIFFRACTION"
r_angle_refined_deg            4206  1.557  1.811  "X-RAY DIFFRACTION"
r_angle_other_deg              6614  0.519  1.749  "X-RAY DIFFRACTION"
r_dihedral_angle_1_deg         386   4.714  5.000  "X-RAY DIFFRACTION"
r_dihedral_angle_2_deg         26    6.427  5.000  "X-RAY DIFFRACTION"
r_dihedral_angle_3_deg         484   15.378 10.000 "X-RAY DIFFRACTION"
r_dihedral_angle_6_deg         148   13.557 10.000 "X-RAY DIFFRACTION"
r_chiral_restr                 484   0.058  0.200  "X-RAY DIFFRACTION"
r_gen_planes_refined           3746  0.006  0.020  "X-RAY DIFFRACTION"
r_gen_planes_other             734   0.002  0.020  "X-RAY DIFFRACTION"
r_nbd_refined                  942   0.289  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbd_other           3127  0.222  0.200  "X-RAY DIFFRACTION"
r_nbtor_refined                1606  0.200  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbtor_other         1744  0.081  0.200  "X-RAY DIFFRACTION"
r_xyhbond_nbd_refined          155   0.186  0.200  "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_other   4     0.155  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbd_refined         4     0.087  0.200  "X-RAY DIFFRACTION"
r_nbd_other                    31    0.206  0.200  "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_refined 2     0.311  0.200  "X-RAY DIFFRACTION"
r_mcbond_it                    1550  6.846  7.711  "X-RAY DIFFRACTION"
r_mcbond_other                 1550  6.824  7.712  "X-RAY DIFFRACTION"
r_mcangle_it                   1934  10.492 13.827 "X-RAY DIFFRACTION"
r_mcangle_other                1935  10.490 13.828 "X-RAY DIFFRACTION"
r_scbond_it                    1534  6.863  8.008  "X-RAY DIFFRACTION"
r_scbond_other                 1535  6.861  8.011  "X-RAY DIFFRACTION"
r_scangle_it                   2272  10.648 14.547 "X-RAY DIFFRACTION"
r_scangle_other                2273  10.646 14.548 "X-RAY DIFFRACTION"
r_lrange_it                    13058 14.925 90.706 "X-RAY DIFFRACTION"
r_lrange_other                 13059 14.925 90.707 "X-RAY DIFFRACTION"

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

loop_
_atom_type.symbol
_atom_type.pdbx_scat_Z
_atom_type.pdbx_N_electrons
_atom_type.scat_Cromer_Mann_a1
_atom_type.scat_Cromer_Mann_b1
_atom_type.scat_Cromer_Mann_a2
_atom_type.scat_Cromer_Mann_b2
_atom_type.scat_Cromer_Mann_a3
_atom_type.scat_Cromer_Mann_b3
_atom_type.scat_Cromer_Mann_a4
_atom_type.scat_Cromer_Mann_b4
_atom_type.scat_Cromer_Mann_c
N 7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379
C 6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156
O 8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508
H 1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030
S 16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.1839

_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    . GLY Axp A 1   ? 120.481 31.239 -22.172 1 114.878 ? 22  A 1 .
ATOM 2    C CA   . GLY Axp A 1   ? 120.873 30.703 -20.857 1 104.359 ? 22  A 1 .
ATOM 3    C C    . GLY Axp A 1   ? 120.352 29.284 -20.691 1 97.109  ? 22  A 1 .
ATOM 4    O O    . GLY Axp A 1   ? 120.716 28.408 -21.475 1 94.291  ? 22  A 1 .
ATOM 5    H H    . GLY Axp A 1   ? 120.792 32.083 -22.267 1 111.491 ? 22  A 1 c
ATOM 6    H H2   . GLY Axp A 1   ? 119.579 31.249 -22.247 1 111.426 ? 22  A 1 c
ATOM 7    H H3   . GLY Axp A 1   ? 120.825 30.724 -22.832 1 111.426 ? 22  A 1 c
ATOM 8    H HA3  . GLY Axp A 1   ? 120.51  31.282 -20.147 1 104.799 ? 22  A 1 c
ATOM 9    H HA2  . GLY Axp A 1   ? 121.848 30.707 -20.787 1 104.261 ? 22  A 1 c
ATOM 10   N N    . ASP Axp A 2   ? 119.497 29.113 -19.674 1 99.444  ? 23  A 1 .
ATOM 11   C CA   . ASP Axp A 2   ? 118.873 27.851 -19.287 1 97.066  ? 23  A 1 .
ATOM 12   C C    . ASP Axp A 2   ? 119.571 26.622 -19.871 1 94.87   ? 23  A 1 .
ATOM 13   O O    . ASP Axp A 2   ? 120.263 25.913 -19.139 1 90.49   ? 23  A 1 .
ATOM 14   C CB   . ASP Axp A 2   ? 117.378 27.875 -19.553 1 90.403  ? 23  A 1 .
ATOM 15   C CG   . ASP Axp A 2   ? 116.577 28.663 -18.529 1 97.347  ? 23  A 1 .
ATOM 16   O OD1  . ASP Axp A 2   ? 116.614 28.31  -17.326 1 89.768  ? 23  A 1 .
ATOM 17   O OD2  . ASP Axp A 2   ? 115.937 29.641 -18.944 1 115.601 ? 23  A 1 .
ATOM 18   H H    . ASP Axp A 2   ? 119.284 29.851 -19.179 1 98.442  ? 23  A 1 c
ATOM 19   H HA   . ASP Axp A 2   ? 118.949 27.783 -18.309 1 95.604  ? 23  A 1 c
ATOM 20   H HB3  . ASP Axp A 2   ? 117.034 26.96  -19.579 1 93.33   ? 23  A 1 c
ATOM 21   H HB2  . ASP Axp A 2   ? 117.227 28.276 -20.435 1 93.557  ? 23  A 1 c
ATOM 22   N N    . ASP Axp A 3   ? 119.324 26.321 -21.155 1 85.354  ? 24  A 1 .
ATOM 23   C CA   . ASP Axp A 3   ? 119.96  25.184 -21.802 1 84.359  ? 24  A 1 .
ATOM 24   C C    . ASP Axp A 3   ? 121.308 24.885 -21.151 1 81.889  ? 24  A 1 .
ATOM 25   O O    . ASP Axp A 3   ? 121.556 23.776 -20.679 1 72.16   ? 24  A 1 .
ATOM 26   C CB   . ASP Axp A 3   ? 120.167 25.445 -23.283 1 97.74   ? 24  A 1 .
ATOM 27   C CG   . ASP Axp A 3   ? 119.066 24.887 -24.162 1 107.406 ? 24  A 1 .
ATOM 28   O OD1  . ASP Axp A 3   ? 117.913 24.86  -23.694 1 109.285 ? 24  A 1 .
ATOM 29   O OD2  . ASP Axp A 3   ? 119.38  24.496 -25.299 1 121.943 ? 24  A 1 .
ATOM 30   H H    . ASP Axp A 3   ? 118.748 26.84  -21.639 1 87.511  ? 24  A 1 c
ATOM 31   H HA   . ASP Axp A 3   ? 119.378 24.398 -21.692 1 86.618  ? 24  A 1 c
ATOM 32   H HB3  . ASP Axp A 3   ? 121.015 25.045 -23.568 1 96.615  ? 24  A 1 c
ATOM 33   H HB2  . ASP Axp A 3   ? 120.222 26.411 -23.434 1 96.462  ? 24  A 1 c
ATOM 34   N N    . ARG Axp A 4   ? 122.18  25.896 -21.14  1 86.5    ? 25  A 1 .
ATOM 35   C CA   . ARG Axp A 4   ? 123.527 25.732 -20.625 1 93.439  ? 25  A 1 .
ATOM 36   C C    . ARG Axp A 4   ? 123.554 25.875 -19.098 1 94.416  ? 25  A 1 .
ATOM 37   O O    . ARG Axp A 4   ? 124.428 25.298 -18.444 1 91.3    ? 25  A 1 .
ATOM 38   C CB   . ARG Axp A 4   ? 124.444 26.699 -21.38  1 89.328  ? 25  A 1 .
ATOM 39   C CG   . ARG Axp A 4   ? 124.754 26.283 -22.808 1 85.253  ? 25  A 1 .
ATOM 40   C CD   . ARG Axp A 4   ? 124.779 27.477 -23.726 1 90.853  ? 25  A 1 .
ATOM 41   N NE   . ARG Axp A 4   ? 125.732 28.502 -23.287 1 94.77   ? 25  A 1 .
ATOM 42   C CZ   . ARG Axp A 4   ? 125.915 29.651 -23.933 1 99.78   ? 25  A 1 .
ATOM 43   N NH1  . ARG Axp A 4   ? 125.231 29.891 -25.032 1 104.068 ? 25  A 1 .
ATOM 44   N NH2  . ARG Axp A 4   ? 126.766 30.56  -23.493 1 101.056 ? 25  A 1 .
ATOM 45   H H    . ARG Axp A 4   ? 121.928 26.712 -21.465 1 86.981  ? 25  A 1 c
ATOM 46   H HA   . ARG Axp A 4   ? 123.828 24.814 -20.848 1 91.279  ? 25  A 1 c
ATOM 47   H HB3  . ARG Axp A 4   ? 125.288 26.778 -20.886 1 89.316  ? 25  A 1 c
ATOM 48   H HB2  . ARG Axp A 4   ? 124.024 27.585 -21.392 1 89.317  ? 25  A 1 c
ATOM 49   H HG3  . ARG Axp A 4   ? 124.071 25.651 -23.12  1 87.487  ? 25  A 1 c
ATOM 50   H HG2  . ARG Axp A 4   ? 125.626 25.836 -22.837 1 87.589  ? 25  A 1 c
ATOM 51   H HD3  . ARG Axp A 4   ? 123.883 27.869 -23.766 1 90.506  ? 25  A 1 c
ATOM 52   H HD2  . ARG Axp A 4   ? 125.018 27.182 -24.628 1 90.512  ? 25  A 1 c
ATOM 53   H HE   . ARG Axp A 4   ? 126.208 28.354 -22.573 1 94.99   ? 25  A 1 c
ATOM 54   H HH11 . ARG Axp A 4   ? 124.369 30.08  -24.98  1 102.729 ? 25  A 1 c
ATOM 55   H HH12 . ARG Axp A 4   ? 125.637 29.863 -25.817 1 102.729 ? 25  A 1 c
ATOM 56   H HH21 . ARG Axp A 4   ? 126.912 30.643 -22.626 1 100.388 ? 25  A 1 c
ATOM 57   H HH22 . ARG Axp A 4   ? 127.187 31.082 -24.069 1 100.621 ? 25  A 1 c
ATOM 58   N N    . GLU Axp A 5   ? 122.612 26.635 -18.521 1 81.876  ? 26  A 1 .
ATOM 59   C CA   . GLU Axp A 5   ? 122.523 26.744 -17.07  1 79.937  ? 26  A 1 .
ATOM 60   C C    . GLU Axp A 5   ? 121.95  25.448 -16.487 1 77.842  ? 26  A 1 .
ATOM 61   O O    . GLU Axp A 5   ? 122.13  25.132 -15.307 1 66.841  ? 26  A 1 .
ATOM 62   C CB   . GLU Axp A 5   ? 121.694 27.959 -16.653 1 76.558  ? 26  A 1 .
ATOM 63   C CG   . GLU Axp A 5   ? 121.655 28.171 -15.14  1 76.982  ? 26  A 1 .
ATOM 64   C CD   . GLU Axp A 5   ? 120.496 29.036 -14.675 1 85.389  ? 26  A 1 .
ATOM 65   O OE1  . GLU Axp A 5   ? 120.483 30.248 -14.999 1 92.697  ? 26  A 1 .
ATOM 66   O OE2  . GLU Axp A 5   ? 119.584 28.489 -14.015 1 77.695  ? 26  A 1 .
ATOM 67   H H    . GLU Axp A 5   ? 122.03  27.113 -19.038 1 84.337  ? 26  A 1 c
ATOM 68   H HA   . GLU Axp A 5   ? 123.439 26.866 -16.714 1 79.427  ? 26  A 1 c
ATOM 69   H HB3  . GLU Axp A 5   ? 120.779 27.844 -16.982 1 77.565  ? 26  A 1 c
ATOM 70   H HB2  . GLU Axp A 5   ? 122.067 28.758 -17.08  1 77.411  ? 26  A 1 c
ATOM 71   H HG3  . GLU Axp A 5   ? 122.492 28.594 -14.856 1 78.639  ? 26  A 1 c
ATOM 72   H HG2  . GLU Axp A 5   ? 121.593 27.304 -14.69  1 78.628  ? 26  A 1 c
ATOM 73   N N    . LEU Axp A 6   ? 121.219 24.714 -17.323 1 72.612  ? 27  A 1 .
ATOM 74   C CA   . LEU Axp A 6   ? 120.618 23.467 -16.91  1 70.928  ? 27  A 1 .
ATOM 75   C C    . LEU Axp A 6   ? 121.647 22.358 -17.031 1 74.949  ? 27  A 1 .
ATOM 76   O O    . LEU Axp A 6   ? 121.786 21.539 -16.129 1 93.333  ? 27  A 1 .
ATOM 77   C CB   . LEU Axp A 6   ? 119.393 23.217 -17.775 1 67.19   ? 27  A 1 .
ATOM 78   C CG   . LEU Axp A 6   ? 118.292 24.274 -17.623 1 77.9    ? 27  A 1 .
ATOM 79   C CD1  . LEU Axp A 6   ? 117.39  24.374 -18.838 1 83.435  ? 27  A 1 .
ATOM 80   C CD2  . LEU Axp A 6   ? 117.453 23.997 -16.4   1 74.509  ? 27  A 1 .
ATOM 81   H H    . LEU Axp A 6   ? 121.084 25.003 -18.178 1 73.832  ? 27  A 1 c
ATOM 82   H HA   . LEU Axp A 6   ? 120.339 23.545 -15.963 1 71.304  ? 27  A 1 c
ATOM 83   H HB3  . LEU Axp A 6   ? 119.019 22.337 -17.538 1 70.413  ? 27  A 1 c
ATOM 84   H HB2  . LEU Axp A 6   ? 119.677 23.191 -18.717 1 70.442  ? 27  A 1 c
ATOM 85   H HG   . LEU Axp A 6   ? 118.725 25.156 -17.493 1 76.282  ? 27  A 1 c
ATOM 86   H HD11 . LEU Axp A 6   ? 117.915 24.613 -19.618 1 81.867  ? 27  A 1 c
ATOM 87   H HD12 . LEU Axp A 6   ? 116.711 25.051 -18.684 1 81.869  ? 27  A 1 c
ATOM 88   H HD13 . LEU Axp A 6   ? 116.959 23.517 -18.992 1 81.799  ? 27  A 1 c
ATOM 89   H HD21 . LEU Axp A 6   ? 118.021 23.986 -15.612 1 75.464  ? 27  A 1 c
ATOM 90   H HD22 . LEU Axp A 6   ? 117.016 23.134 -16.495 1 75.459  ? 27  A 1 c
ATOM 91   H HD23 . LEU Axp A 6   ? 116.78  24.691 -16.304 1 75.486  ? 27  A 1 c
ATOM 92   N N    . ALA Axp A 7   ? 122.363 22.332 -18.148 1 70.384  ? 28  A 1 .
ATOM 93   C CA   . ALA Axp A 7   ? 123.408 21.34  -18.304 1 73.446  ? 28  A 1 .
ATOM 94   C C    . ALA Axp A 7   ? 124.246 21.257 -17.023 1 65.933  ? 28  A 1 .
ATOM 95   O O    . ALA Axp A 7   ? 124.298 20.201 -16.402 1 56.204  ? 28  A 1 .
ATOM 96   C CB   . ALA Axp A 7   ? 124.232 21.675 -19.525 1 79.603  ? 28  A 1 .
ATOM 97   H H    . ALA Axp A 7   ? 122.198 22.925 -18.823 1 72.219  ? 28  A 1 c
ATOM 98   H HA   . ALA Axp A 7   ? 122.972 20.455 -18.444 1 72.374  ? 28  A 1 c
ATOM 99   H HB3  . ALA Axp A 7   ? 125.062 21.171 -19.507 1 77.745  ? 28  A 1 c
ATOM 100  H HB2  . ALA Axp A 7   ? 124.433 22.626 -19.533 1 77.691  ? 28  A 1 c
ATOM 101  H HB1  . ALA Axp A 7   ? 123.734 21.445 -20.328 1 77.721  ? 28  A 1 c
ATOM 102  N N    . ILE Axp A 8   ? 124.848 22.39  -16.622 1 65.439  ? 29  A 1 .
ATOM 103  C CA   . ILE Axp A 8   ? 125.673 22.473 -15.421 1 69.866  ? 29  A 1 .
ATOM 104  C C    . ILE Axp A 8   ? 124.984 21.744 -14.269 1 68.136  ? 29  A 1 .
ATOM 105  O O    . ILE Axp A 8   ? 125.473 20.751 -13.756 1 69.524  ? 29  A 1 .
ATOM 106  C CB   . ILE Axp A 8   ? 125.927 23.92  -14.968 1 74.256  ? 29  A 1 .
ATOM 107  C CG1  . ILE Axp A 8   ? 126.207 24.897 -16.123 1 79.266  ? 29  A 1 .
ATOM 108  C CG2  . ILE Axp A 8   ? 127.014 23.917 -13.89  1 73.677  ? 29  A 1 .
ATOM 109  C CD1  . ILE Axp A 8   ? 127.653 25.314 -16.287 1 82.28   ? 29  A 1 .
ATOM 110  H H    . ILE Axp A 8   ? 124.72  23.145 -17.119 1 66.897  ? 29  A 1 c
ATOM 111  H HA   . ILE Axp A 8   ? 126.532 22.043 -15.6   1 69.478  ? 29  A 1 c
ATOM 112  H HB   . ILE Axp A 8   ? 125.108 24.234 -14.539 1 74.163  ? 29  A 1 c
ATOM 113  H HG12 . ILE Axp A 8   ? 125.666 25.702 -15.986 1 78.747  ? 29  A 1 c
ATOM 114  H HG13 . ILE Axp A 8   ? 125.917 24.486 -16.958 1 78.607  ? 29  A 1 c
ATOM 115  H HG21 . ILE Axp A 8   ? 127.256 24.832 -13.667 1 73.914  ? 29  A 1 c
ATOM 116  H HG22 . ILE Axp A 8   ? 127.799 23.446 -14.217 1 73.888  ? 29  A 1 c
ATOM 117  H HG23 . ILE Axp A 8   ? 126.682 23.472 -13.093 1 73.728  ? 29  A 1 c
ATOM 118  H HD11 . ILE Axp A 8   ? 127.887 25.959 -15.594 1 80.932  ? 29  A 1 c
ATOM 119  H HD12 . ILE Axp A 8   ? 127.77  25.726 -17.164 1 81.221  ? 29  A 1 c
ATOM 120  H HD13 . ILE Axp A 8   ? 128.235 24.534 -16.218 1 81.022  ? 29  A 1 c
ATOM 121  N N    . LEU Axp A 9   ? 123.831 22.271 -13.866 1 73.908  ? 30  A 1 .
ATOM 122  C CA   . LEU Axp A 9   ? 123.069 21.752 -12.74  1 73.929  ? 30  A 1 .
ATOM 123  C C    . LEU Axp A 9   ? 122.931 20.236 -12.799 1 72.242  ? 30  A 1 .
ATOM 124  O O    . LEU Axp A 9   ? 123.434 19.526 -11.928 1 66.677  ? 30  A 1 .
ATOM 125  C CB   . LEU Axp A 9   ? 121.702 22.429 -12.748 1 68.06   ? 30  A 1 .
ATOM 126  C CG   . LEU Axp A 9   ? 121.733 23.911 -12.372 1 70.586  ? 30  A 1 .
ATOM 127  C CD1  . LEU Axp A 9   ? 120.441 24.623 -12.675 1 73.968  ? 30  A 1 .
ATOM 128  C CD2  . LEU Axp A 9   ? 122.061 24.048 -10.905 1 70.971  ? 30  A 1 .
ATOM 129  H H    . LEU Axp A 9   ? 123.483 22.974 -14.336 1 72.388  ? 30  A 1 c
ATOM 130  H HA   . LEU Axp A 9   ? 123.549 21.989 -11.908 1 72.458  ? 30  A 1 c
ATOM 131  H HB3  . LEU Axp A 9   ? 121.117 21.957 -12.112 1 69.976  ? 30  A 1 c
ATOM 132  H HB2  . LEU Axp A 9   ? 121.316 22.344 -13.65  1 70.07   ? 30  A 1 c
ATOM 133  H HG   . LEU Axp A 9   ? 122.456 24.349 -12.889 1 70.81   ? 30  A 1 c
ATOM 134  H HD11 . LEU Axp A 9   ? 120.193 24.467 -13.602 1 72.906  ? 30  A 1 c
ATOM 135  H HD12 . LEU Axp A 9   ? 120.553 25.578 -12.527 1 72.932  ? 30  A 1 c
ATOM 136  H HD13 . LEU Axp A 9   ? 119.739 24.287 -12.093 1 72.921  ? 30  A 1 c
ATOM 137  H HD21 . LEU Axp A 9   ? 122.749 23.411 -10.659 1 70.725  ? 30  A 1 c
ATOM 138  H HD22 . LEU Axp A 9   ? 121.263 23.881 -10.377 1 70.792  ? 30  A 1 c
ATOM 139  H HD23 . LEU Axp A 9   ? 122.381 24.949 -10.728 1 70.819  ? 30  A 1 c
ATOM 140  N N    . ALA Axp A 10  ? 122.236 19.752 -13.831 1 71.615  ? 31  A 1 .
ATOM 141  C CA   . ALA Axp A 10  ? 122.103 18.324 -14.043 1 71.312  ? 31  A 1 .
ATOM 142  C C    . ALA Axp A 10  ? 123.459 17.671 -13.812 1 66.308  ? 31  A 1 .
ATOM 143  O O    . ALA Axp A 10  ? 123.591 16.79  -12.964 1 61.843  ? 31  A 1 .
ATOM 144  C CB   . ALA Axp A 10  ? 121.6   18.076 -15.446 1 67.795  ? 31  A 1 .
ATOM 145  H H    . ALA Axp A 10  ? 121.842 20.326 -14.423 1 71.646  ? 31  A 1 c
ATOM 146  H HA   . ALA Axp A 10  ? 121.453 17.959 -13.382 1 69.783  ? 31  A 1 c
ATOM 147  H HB3  . ALA Axp A 10  ? 121.661 17.129 -15.654 1 68.796  ? 31  A 1 c
ATOM 148  H HB2  . ALA Axp A 10  ? 122.137 18.579 -16.081 1 68.777  ? 31  A 1 c
ATOM 149  H HB1  . ALA Axp A 10  ? 120.672 18.36  -15.516 1 68.807  ? 31  A 1 c
ATOM 150  N N    . THR Axp A 11  ? 124.45  18.183 -14.561 1 62.545  ? 32  A 1 .
ATOM 151  C CA   . THR Axp A 11  ? 125.814 17.677 -14.563 1 62.161  ? 32  A 1 .
ATOM 152  C C    . THR Axp A 11  ? 126.406 17.72  -13.153 1 62.89   ? 32  A 1 .
ATOM 153  O O    . THR Axp A 11  ? 127.331 16.982 -12.838 1 59.206  ? 32  A 1 .
ATOM 154  C CB   . THR Axp A 11  ? 126.676 18.468 -15.554 1 61.185  ? 32  A 1 .
ATOM 155  O OG1  . THR Axp A 11  ? 126.358 18.034 -16.87  1 56.093  ? 32  A 1 .
ATOM 156  C CG2  . THR Axp A 11  ? 128.163 18.237 -15.352 1 61.885  ? 32  A 1 .
ATOM 157  H H    . THR Axp A 11  ? 124.257 18.892 -15.104 1 63.46   ? 32  A 1 c
ATOM 158  H HA   . THR Axp A 11  ? 125.789 16.741 -14.858 1 62.15   ? 32  A 1 c
ATOM 159  H HB   . THR Axp A 11  ? 126.49  19.433 -15.473 1 60.588  ? 32  A 1 c
ATOM 160  H HG1  . THR Axp A 11  ? 126.445 17.187 -16.978 0 45.13   ? 32  A 1 c
ATOM 161  H HG21 . THR Axp A 11  ? 128.652 18.593 -16.106 1 62.45   ? 32  A 1 c
ATOM 162  H HG22 . THR Axp A 11  ? 128.338 17.284 -15.276 1 61.883  ? 32  A 1 c
ATOM 163  H HG23 . THR Axp A 11  ? 128.456 18.686 -14.541 1 62.025  ? 32  A 1 c
ATOM 164  N N    . ALA Axp A 12  ? 125.904 18.618 -12.312 1 71.607  ? 33  A 1 .
ATOM 165  C CA   . ALA Axp A 12  ? 126.391 18.693 -10.948 1 78.16   ? 33  A 1 .
ATOM 166  C C    . ALA Axp A 12  ? 125.717 17.612 -10.115 1 80.394  ? 33  A 1 .
ATOM 167  O O    . ALA Axp A 12  ? 126.386 16.721 -9.593  1 84.129  ? 33  A 1 .
ATOM 168  C CB   . ALA Axp A 12  ? 126.132 20.069 -10.395 1 84.294  ? 33  A 1 .
ATOM 169  H H    . ALA Axp A 12  ? 125.275 19.216 -12.594 1 70.745  ? 33  A 1 c
ATOM 170  H HA   . ALA Axp A 12  ? 127.37  18.519 -10.95  1 78.324  ? 33  A 1 c
ATOM 171  H HB3  . ALA Axp A 12  ? 126.602 20.175 -9.551  1 82.376  ? 33  A 1 c
ATOM 172  H HB2  . ALA Axp A 12  ? 125.181 20.194 -10.25  1 82.174  ? 33  A 1 c
ATOM 173  H HB1  . ALA Axp A 12  ? 126.45  20.739 -11.024 1 82.442  ? 33  A 1 c
ATOM 174  N N    . GLU Axp A 13  ? 124.384 17.687 -10.057 1 85.422  ? 34  A 1 .
ATOM 175  C CA   . GLU Axp A 13  ? 123.574 16.748 -9.299  1 88.475  ? 34  A 1 .
ATOM 176  C C    . GLU Axp A 13  ? 124.068 15.311 -9.485  1 86.919  ? 34  A 1 .
ATOM 177  O O    . GLU Axp A 13  ? 124.175 14.546 -8.519  1 73.212  ? 34  A 1 .
ATOM 178  C CB   . GLU Axp A 13  ? 122.116 16.856 -9.749  1 84.82   ? 34  A 1 .
ATOM 179  C CG   . GLU Axp A 13  ? 121.225 15.86  -9.015  1 79.679  ? 34  A 1 .
ATOM 180  C CD   . GLU Axp A 13  ? 119.766 16.16  -9.206  1 77.496  ? 34  A 1 .
ATOM 181  O OE1  . GLU Axp A 13  ? 119.457 16.801 -10.234 1 80.121  ? 34  A 1 .
ATOM 182  O OE2  . GLU Axp A 13  ? 118.982 15.794 -8.305  1 69.972  ? 34  A 1 .
ATOM 183  H H    . GLU Axp A 13  ? 123.958 18.352 -10.518 1 84.709  ? 34  A 1 c
ATOM 184  H HA   . GLU Axp A 13  ? 123.633 16.984 -8.34   1 86.795  ? 34  A 1 c
ATOM 185  H HB3  . GLU Axp A 13  ? 122.067 16.692 -10.714 1 84.264  ? 34  A 1 c
ATOM 186  H HB2  . GLU Axp A 13  ? 121.799 17.769 -9.583  1 84.341  ? 34  A 1 c
ATOM 187  H HG3  . GLU Axp A 13  ? 121.431 15.884 -8.056  1 80.231  ? 34  A 1 c
ATOM 188  H HG2  . GLU Axp A 13  ? 121.405 14.955 -9.345  1 80.31   ? 34  A 1 c
ATOM 189  N N    . ASN Axp A 14  ? 124.347 14.951 -10.744 1 89.902  ? 35  A 1 .
ATOM 190  C CA   . ASN Axp A 14  ? 124.7   13.588 -11.088 1 89.795  ? 35  A 1 .
ATOM 191  C C    . ASN Axp A 14  ? 126.074 13.26  -10.525 1 77.34   ? 35  A 1 .
ATOM 192  O O    . ASN Axp A 14  ? 126.392 12.093 -10.365 1 82.555  ? 35  A 1 .
ATOM 193  C CB   . ASN Axp A 14  ? 124.613 13.346 -12.589 1 93.382  ? 35  A 1 .
ATOM 194  C CG   . ASN Axp A 14  ? 123.193 13.492 -13.083 1 109.139 ? 35  A 1 .
ATOM 195  O OD1  . ASN Axp A 14  ? 122.251 13.627 -12.286 1 106.832 ? 35  A 1 .
ATOM 196  N ND2  . ASN Axp A 14  ? 123.024 13.465 -14.396 1 133.184 ? 35  A 1 .
ATOM 197  H H    . ASN Axp A 14  ? 124.305 15.575 -11.411 1 89.197  ? 35  A 1 c
ATOM 198  H HA   . ASN Axp A 14  ? 124.048 12.99  -10.658 1 88.108  ? 35  A 1 c
ATOM 199  H HB3  . ASN Axp A 14  ? 124.934 12.444 -12.791 1 95.934  ? 35  A 1 c
ATOM 200  H HB2  . ASN Axp A 14  ? 125.185 13.987 -13.055 1 95.934  ? 35  A 1 c
ATOM 201  H HD21 . ASN Axp A 14  ? 122.323 13.046 -14.743 1 125.196 ? 35  A 1 c
ATOM 202  H HD22 . ASN Axp A 14  ? 123.611 13.865 -14.927 1 125.004 ? 35  A 1 c
ATOM 203  N N    . LEU Axp A 15  ? 126.879 14.284 -10.249 1 69.598  ? 36  A 1 .
ATOM 204  C CA   . LEU Axp A 15  ? 128.24  14.079 -9.792  1 71.377  ? 36  A 1 .
ATOM 205  C C    . LEU Axp A 15  ? 128.255 13.989 -8.272  1 83.782  ? 36  A 1 .
ATOM 206  O O    . LEU Axp A 15  ? 129.159 13.39  -7.714  1 92.735  ? 36  A 1 .
ATOM 207  C CB   . LEU Axp A 15  ? 129.174 15.184 -10.282 1 74.638  ? 36  A 1 .
ATOM 208  C CG   . LEU Axp A 15  ? 129.584 15.147 -11.76  1 83.063  ? 36  A 1 .
ATOM 209  C CD1  . LEU Axp A 15  ? 130.265 16.442 -12.186 1 88.007  ? 36  A 1 .
ATOM 210  C CD2  . LEU Axp A 15  ? 130.49  13.968 -12.085 1 86.777  ? 36  A 1 .
ATOM 211  H H    . LEU Axp A 15  ? 126.585 15.139 -10.375 1 72.293  ? 36  A 1 c
ATOM 212  H HA   . LEU Axp A 15  ? 128.558 13.212 -10.153 1 73.876  ? 36  A 1 c
ATOM 213  H HB3  . LEU Axp A 15  ? 129.994 15.15  -9.738  1 75.756  ? 36  A 1 c
ATOM 214  H HB2  . LEU Axp A 15  ? 128.745 16.051 -10.102 1 75.796  ? 36  A 1 c
ATOM 215  H HG   . LEU Axp A 15  ? 128.76  15.046 -12.302 1 82.829  ? 36  A 1 c
ATOM 216  H HD11 . LEU Axp A 15  ? 129.813 17.197 -11.776 1 86.255  ? 36  A 1 c
ATOM 217  H HD12 . LEU Axp A 15  ? 130.223 16.528 -13.154 1 86.456  ? 36  A 1 c
ATOM 218  H HD13 . LEU Axp A 15  ? 131.194 16.43  -11.903 1 86.454  ? 36  A 1 c
ATOM 219  H HD21 . LEU Axp A 15  ? 129.954 13.232 -12.426 1 85.647  ? 36  A 1 c
ATOM 220  H HD22 . LEU Axp A 15  ? 130.954 13.683 -11.28  1 85.577  ? 36  A 1 c
ATOM 221  H HD23 . LEU Axp A 15  ? 131.141 14.231 -12.757 1 85.664  ? 36  A 1 c
ATOM 222  N N    . LEU Axp A 16  ? 127.264 14.591 -7.602  1 91.434  ? 37  A 1 .
ATOM 223  C CA   . LEU Axp A 16  ? 127.201 14.588 -6.148  1 80.194  ? 37  A 1 .
ATOM 224  C C    . LEU Axp A 16  ? 126.804 13.196 -5.693  1 77.424  ? 37  A 1 .
ATOM 225  O O    . LEU Axp A 16  ? 126.973 12.832 -4.525  1 78.97   ? 37  A 1 .
ATOM 226  C CB   . LEU Axp A 16  ? 126.204 15.649 -5.697  1 76.311  ? 37  A 1 .
ATOM 227  C CG   . LEU Axp A 16  ? 126.586 17.091 -6.047  1 71.083  ? 37  A 1 .
ATOM 228  C CD1  . LEU Axp A 16  ? 125.356 17.94  -6.245  1 78.578  ? 37  A 1 .
ATOM 229  C CD2  . LEU Axp A 16  ? 127.468 17.716 -4.998  1 63.908  ? 37  A 1 .
ATOM 230  H H    . LEU Axp A 16  ? 126.61  15.029 -8.066  1 86.256  ? 37  A 1 c
ATOM 231  H HA   . LEU Axp A 16  ? 128.097 14.808 -5.793  1 80.956  ? 37  A 1 c
ATOM 232  H HB3  . LEU Axp A 16  ? 126.101 15.58  -4.72   1 75.893  ? 37  A 1 c
ATOM 233  H HB2  . LEU Axp A 16  ? 125.332 15.445 -6.11   1 76.02   ? 37  A 1 c
ATOM 234  H HG   . LEU Axp A 16  ? 127.089 17.08  -6.902  1 72.018  ? 37  A 1 c
ATOM 235  H HD11 . LEU Axp A 16  ? 125.181 18.04  -7.195  1 76.291  ? 37  A 1 c
ATOM 236  H HD12 . LEU Axp A 16  ? 125.498 18.818 -5.852  1 76.054  ? 37  A 1 c
ATOM 237  H HD13 . LEU Axp A 16  ? 124.592 17.516 -5.819  1 76.233  ? 37  A 1 c
ATOM 238  H HD21 . LEU Axp A 16  ? 128.203 17.115 -4.791  1 66.011  ? 37  A 1 c
ATOM 239  H HD22 . LEU Axp A 16  ? 126.949 17.881 -4.193  1 66.109  ? 37  A 1 c
ATOM 240  H HD23 . LEU Axp A 16  ? 127.824 18.557 -5.331  1 66.059  ? 37  A 1 c
ATOM 241  N N    . GLU Axp A 17  ? 126.301 12.442 -6.673  1 80.73   ? 38  A 1 .
ATOM 242  C CA   . GLU Axp A 17  ? 125.897 11.064 -6.488  1 83.613  ? 38  A 1 .
ATOM 243  C C    . GLU Axp A 17  ? 127.091 10.165 -6.197  1 74.76   ? 38  A 1 .
ATOM 244  O O    . GLU Axp A 17  ? 126.949 9.243  -5.405  1 71.492  ? 38  A 1 .
ATOM 245  C CB   . GLU Axp A 17  ? 125.208 10.505 -7.728  1 85.146  ? 38  A 1 .
ATOM 246  C CG   . GLU Axp A 17  ? 124.319 9.318  -7.379  1 90.827  ? 38  A 1 .
ATOM 247  C CD   . GLU Axp A 17  ? 123.245 9.745  -6.39   1 100.12  ? 38  A 1 .
ATOM 248  O OE1  . GLU Axp A 17  ? 122.477 10.637 -6.819  1 104.898 ? 38  A 1 .
ATOM 249  O OE2  . GLU Axp A 17  ? 123.189 9.27   -5.219  1 85.904  ? 38  A 1 .
ATOM 250  H H    . GLU Axp A 17  ? 126.174 12.816 -7.497  1 80.804  ? 38  A 1 c
ATOM 251  H HA   . GLU Axp A 17  ? 125.278 11.025 -5.716  1 81.696  ? 38  A 1 c
ATOM 252  H HB3  . GLU Axp A 17  ? 125.888 10.228 -8.378  1 85.983  ? 38  A 1 c
ATOM 253  H HB2  . GLU Axp A 17  ? 124.667 11.21  -8.141  1 86.086  ? 38  A 1 c
ATOM 254  H HG3  . GLU Axp A 17  ? 124.86  8.603  -6.981  1 91.32   ? 38  A 1 c
ATOM 255  H HG2  . GLU Axp A 17  ? 123.891 8.974  -8.192  1 91.481  ? 38  A 1 c
ATOM 256  N N    . ASP Axp A 18  ? 128.237 10.44  -6.84   1 79.025  ? 39  A 1 .
ATOM 257  C CA   . ASP Axp A 18  ? 129.459 9.678  -6.637  1 81.763  ? 39  A 1 .
ATOM 258  C C    . ASP Axp A 18  ? 130.386 10.292 -5.597  1 78.164  ? 39  A 1 .
ATOM 259  O O    . ASP Axp A 18  ? 131.106 9.548  -4.939  1 92.755  ? 39  A 1 .
ATOM 260  C CB   . ASP Axp A 18  ? 130.181 9.402  -7.94   1 83.498  ? 39  A 1 .
ATOM 261  C CG   . ASP Axp A 18  ? 129.589 8.201  -8.661  1 106.842 ? 39  A 1 .
ATOM 262  O OD1  . ASP Axp A 18  ? 129.474 7.119  -8.026  1 110.95  ? 39  A 1 .
ATOM 263  O OD2  . ASP Axp A 18  ? 129.21  8.358  -9.836  1 118.698 ? 39  A 1 .
ATOM 264  H H    . ASP Axp A 18  ? 128.252 11.132 -7.437  1 78.707  ? 39  A 1 c
ATOM 265  H HA   . ASP Axp A 18  ? 129.198 8.794  -6.295  1 81.128  ? 39  A 1 c
ATOM 266  H HB3  . ASP Axp A 18  ? 131.129 9.227  -7.765  1 87.902  ? 39  A 1 c
ATOM 267  H HB2  . ASP Axp A 18  ? 130.113 10.185 -8.526  1 88.022  ? 39  A 1 c
ATOM 268  N N    . ARG Axp A 19  ? 130.396 11.619 -5.454  1 71.18   ? 40  A 1 .
ATOM 269  C CA   . ARG Axp A 19  ? 131.295 12.221 -4.486  1 75.13   ? 40  A 1 .
ATOM 270  C C    . ARG Axp A 19  ? 130.684 13.493 -3.93   1 74.943  ? 40  A 1 .
ATOM 271  O O    . ARG Axp A 19  ? 129.579 13.841 -4.328  1 64.024  ? 40  A 1 .
ATOM 272  C CB   . ARG Axp A 19  ? 132.665 12.498 -5.101  1 74.31   ? 40  A 1 .
ATOM 273  C CG   . ARG Axp A 19  ? 132.57  13.158 -6.458  1 79.453  ? 40  A 1 .
ATOM 274  C CD   . ARG Axp A 19  ? 132.323 12.091 -7.514  1 89.275  ? 40  A 1 .
ATOM 275  N NE   . ARG Axp A 19  ? 132.433 12.647 -8.863  1 89.156  ? 40  A 1 .
ATOM 276  C CZ   . ARG Axp A 19  ? 133.467 13.358 -9.274  1 83.702  ? 40  A 1 .
ATOM 277  N NH1  . ARG Axp A 19  ? 134.526 13.486 -8.5    1 72.65   ? 40  A 1 .
ATOM 278  N NH2  . ARG Axp A 19  ? 133.429 13.952 -10.452 1 92.388  ? 40  A 1 .
ATOM 279  H H    . ARG Axp A 19  ? 129.84  12.15  -5.949  1 73.872  ? 40  A 1 c
ATOM 280  H HA   . ARG Axp A 19  ? 131.414 11.585 -3.736  1 74.265  ? 40  A 1 c
ATOM 281  H HB3  . ARG Axp A 19  ? 133.152 11.65  -5.19   1 75.781  ? 40  A 1 c
ATOM 282  H HB2  . ARG Axp A 19  ? 133.183 13.077 -4.507  1 75.596  ? 40  A 1 c
ATOM 283  H HG3  . ARG Axp A 19  ? 133.406 13.631 -6.648  1 80.217  ? 40  A 1 c
ATOM 284  H HG2  . ARG Axp A 19  ? 131.83  13.803 -6.465  1 80.272  ? 40  A 1 c
ATOM 285  H HD3  . ARG Axp A 19  ? 131.432 11.719 -7.402  1 86.619  ? 40  A 1 c
ATOM 286  H HD2  . ARG Axp A 19  ? 132.972 11.366 -7.41   1 86.727  ? 40  A 1 c
ATOM 287  H HE   . ARG Axp A 19  ? 131.783 12.501 -9.424  1 87.874  ? 40  A 1 c
ATOM 288  H HH11 . ARG Axp A 19  ? 134.944 12.766 -8.202  1 76.002  ? 40  A 1 c
ATOM 289  H HH12 . ARG Axp A 19  ? 134.822 14.293 -8.292  1 75.949  ? 40  A 1 c
ATOM 290  H HH21 . ARG Axp A 19  ? 133.367 13.465 -11.187 1 89.622  ? 40  A 1 c
ATOM 291  H HH22 . ARG Axp A 19  ? 133.465 14.834 -10.5   1 89.622  ? 40  A 1 c
ATOM 292  N N    . PRO Axp A 20  ? 131.348 14.139 -2.937  1 76.682  ? 41  A 1 .
ATOM 293  C CA   . PRO Axp A 20  ? 130.958 15.457 -2.458  1 83.526  ? 41  A 1 .
ATOM 294  C C    . PRO Axp A 20  ? 131.529 16.617 -3.275  1 93.24   ? 41  A 1 .
ATOM 295  O O    . PRO Axp A 20  ? 132.536 16.469 -3.964  1 88.953  ? 41  A 1 .
ATOM 296  C CB   . PRO Axp A 20  ? 131.478 15.464 -1.03   1 69.545  ? 41  A 1 .
ATOM 297  C CG   . PRO Axp A 20  ? 132.768 14.699 -1.201  1 64.848  ? 41  A 1 .
ATOM 298  C CD   . PRO Axp A 20  ? 132.444 13.582 -2.131  1 69.605  ? 41  A 1 .
ATOM 299  H HA   . PRO Axp A 20  ? 129.98  15.521 -2.445  1 80.969  ? 41  A 1 c
ATOM 300  H HB3  . PRO Axp A 20  ? 130.865 15.002 -0.425  1 71.354  ? 41  A 1 c
ATOM 301  H HB2  . PRO Axp A 20  ? 131.641 16.374 -0.713  1 71.44   ? 41  A 1 c
ATOM 302  H HG3  . PRO Axp A 20  ? 133.081 14.35  -0.343  1 66.983  ? 41  A 1 c
ATOM 303  H HG2  . PRO Axp A 20  ? 133.464 15.271 -1.581  1 67.062  ? 41  A 1 c
ATOM 304  H HD3  . PRO Axp A 20  ? 133.21  13.355 -2.685  1 70.134  ? 41  A 1 c
ATOM 305  H HD2  . PRO Axp A 20  ? 132.149 12.788 -1.645  1 70.069  ? 41  A 1 c
ATOM 306  N N    . LEU Axp A 21  ? 130.865 17.776 -3.142  1 96.524  ? 42  A 1 .
ATOM 307  C CA   . LEU Axp A 21  ? 131.213 19.004 -3.834  1 83.828  ? 42  A 1 .
ATOM 308  C C    . LEU Axp A 21  ? 132.71  19.198 -3.708  1 71.413  ? 42  A 1 .
ATOM 309  O O    . LEU Axp A 21  ? 133.369 19.481 -4.692  1 66.427  ? 42  A 1 .
ATOM 310  C CB   . LEU Axp A 21  ? 130.441 20.165 -3.203  1 92.164  ? 42  A 1 .
ATOM 311  C CG   . LEU Axp A 21  ? 130.479 21.521 -3.917  1 89.074  ? 42  A 1 .
ATOM 312  C CD1  . LEU Axp A 21  ? 129.798 21.452 -5.293  1 83.453  ? 42  A 1 .
ATOM 313  C CD2  . LEU Axp A 21  ? 129.854 22.631 -3.048  1 85.616  ? 42  A 1 .
ATOM 314  H H    . LEU Axp A 21  ? 130.147 17.793 -2.576  1 92.509  ? 42  A 1 c
ATOM 315  H HA   . LEU Axp A 21  ? 130.968 18.916 -4.79   1 84.971  ? 42  A 1 c
ATOM 316  H HB3  . LEU Axp A 21  ? 130.781 20.29  -2.287  1 89.368  ? 42  A 1 c
ATOM 317  H HB2  . LEU Axp A 21  ? 129.498 19.891 -3.119  1 89.489  ? 42  A 1 c
ATOM 318  H HG   . LEU Axp A 21  ? 131.43  21.759 -4.066  1 87.837  ? 42  A 1 c
ATOM 319  H HD11 . LEU Axp A 21  ? 130.378 20.986 -5.919  1 85.059  ? 42  A 1 c
ATOM 320  H HD12 . LEU Axp A 21  ? 129.629 22.352 -5.618  1 85.061  ? 42  A 1 c
ATOM 321  H HD13 . LEU Axp A 21  ? 128.956 20.973 -5.215  1 85.059  ? 42  A 1 c
ATOM 322  H HD21 . LEU Axp A 21  ? 130.054 22.464 -2.112  1 86.612  ? 42  A 1 c
ATOM 323  H HD22 . LEU Axp A 21  ? 128.891 22.639 -3.175  1 86.42   ? 42  A 1 c
ATOM 324  H HD23 . LEU Axp A 21  ? 130.221 23.492 -3.308  1 86.573  ? 42  A 1 c
ATOM 325  N N    . ALA Axp A 22  ? 133.231 18.947 -2.504  1 66.044  ? 43  A 1 .
ATOM 326  C CA   . ALA Axp A 22  ? 134.62  19.214 -2.175  1 66.459  ? 43  A 1 .
ATOM 327  C C    . ALA Axp A 22  ? 135.584 18.475 -3.085  1 62.458  ? 43  A 1 .
ATOM 328  O O    . ALA Axp A 22  ? 136.768 18.763 -3.062  1 62.403  ? 43  A 1 .
ATOM 329  C CB   . ALA Axp A 22  ? 134.885 18.831 -0.743  1 71.566  ? 43  A 1 .
ATOM 330  H H    . ALA Axp A 22  ? 132.689 18.61  -1.849  1 67.822  ? 43  A 1 c
ATOM 331  H HA   . ALA Axp A 22  ? 134.78  20.192 -2.283  1 66.524  ? 43  A 1 c
ATOM 332  H HB3  . ALA Axp A 22  ? 135.81  19.027 -0.517  1 69.961  ? 43  A 1 c
ATOM 333  H HB2  . ALA Axp A 22  ? 134.72  17.881 -0.623  1 69.995  ? 43  A 1 c
ATOM 334  H HB1  . ALA Axp A 22  ? 134.298 19.336 -0.155  1 69.995  ? 43  A 1 c
ATOM 335  N N    . ASP Axp A 23  ? 135.079 17.506 -3.846  1 80.27   ? 44  A 1 .
ATOM 336  C CA   . ASP Axp A 23  ? 135.917 16.636 -4.657  1 88.167  ? 44  A 1 .
ATOM 337  C C    . ASP Axp A 23  ? 135.531 16.784 -6.13   1 70.751  ? 44  A 1 .
ATOM 338  O O    . ASP Axp A 23  ? 136.075 16.104 -6.987  1 77.816  ? 44  A 1 .
ATOM 339  C CB   . ASP Axp A 23  ? 135.879 15.213 -4.103  1 95.965  ? 44  A 1 .
ATOM 340  C CG   . ASP Axp A 23  ? 136.523 15.018 -2.731  1 95.685  ? 44  A 1 .
ATOM 341  O OD1  . ASP Axp A 23  ? 137.343 15.879 -2.341  1 103.017 ? 44  A 1 .
ATOM 342  O OD2  . ASP Axp A 23  ? 136.191 14.023 -2.043  1 81.041  ? 44  A 1 .
ATOM 343  H H    . ASP Axp A 23  ? 134.181 17.344 -3.827  1 76.841  ? 44  A 1 c
ATOM 344  H HA   . ASP Axp A 23  ? 136.848 16.938 -4.566  1 84.249  ? 44  A 1 c
ATOM 345  H HB3  . ASP Axp A 23  ? 136.332 14.619 -4.738  1 93.978  ? 44  A 1 c
ATOM 346  H HB2  . ASP Axp A 23  ? 134.943 14.927 -4.043  1 94.05   ? 44  A 1 c
ATOM 347  N N    . ILE Axp A 24  ? 134.6   17.688 -6.422  1 61.591  ? 45  A 1 .
ATOM 348  C CA   . ILE Axp A 24  ? 134.23  17.992 -7.786  1 64.317  ? 45  A 1 .
ATOM 349  C C    . ILE Axp A 24  ? 134.922 19.286 -8.186  1 69.778  ? 45  A 1 .
ATOM 350  O O    . ILE Axp A 24  ? 134.885 20.265 -7.449  1 71.794  ? 45  A 1 .
ATOM 351  C CB   . ILE Axp A 24  ? 132.705 18.103 -7.934  1 64.885  ? 45  A 1 .
ATOM 352  C CG1  . ILE Axp A 24  ? 132.034 16.808 -7.534  1 68.513  ? 45  A 1 .
ATOM 353  C CG2  . ILE Axp A 24  ? 132.323 18.532 -9.352  1 66.713  ? 45  A 1 .
ATOM 354  C CD1  . ILE Axp A 24  ? 130.527 16.848 -7.569  1 70.858  ? 45  A 1 .
ATOM 355  H H    . ILE Axp A 24  ? 134.181 18.14  -5.749  1 64.698  ? 45  A 1 c
ATOM 356  H HA   . ILE Axp A 24  ? 134.544 17.272 -8.366  1 65.089  ? 45  A 1 c
ATOM 357  H HB   . ILE Axp A 24  ? 132.397 18.798 -7.318  1 65.788  ? 45  A 1 c
ATOM 358  H HG12 . ILE Axp A 24  ? 132.318 16.574 -6.628  1 68.244  ? 45  A 1 c
ATOM 359  H HG13 . ILE Axp A 24  ? 132.342 16.099 -8.135  1 68.199  ? 45  A 1 c
ATOM 360  H HG21 . ILE Axp A 24  ? 131.366 18.69  -9.399  1 66.265  ? 45  A 1 c
ATOM 361  H HG22 . ILE Axp A 24  ? 132.565 17.831 -9.98   1 66.224  ? 45  A 1 c
ATOM 362  H HG23 . ILE Axp A 24  ? 132.792 19.35  -9.585  1 66.349  ? 45  A 1 c
ATOM 363  H HD11 . ILE Axp A 24  ? 130.208 17.55  -6.971  1 70.169  ? 45  A 1 c
ATOM 364  H HD12 . ILE Axp A 24  ? 130.174 15.987 -7.275  1 70.212  ? 45  A 1 c
ATOM 365  H HD13 . ILE Axp A 24  ? 130.216 17.031 -8.475  1 70.18   ? 45  A 1 c
ATOM 366  N N    . SER Axp A 25  ? 135.5   19.278 -9.388  1 75.808  ? 46  A 1 .
ATOM 367  C CA   . SER Axp A 25  ? 136.232 20.415 -9.911  1 86.037  ? 46  A 1 .
ATOM 368  C C    . SER Axp A 25  ? 135.323 21.254 -10.794 1 96.702  ? 46  A 1 .
ATOM 369  O O    . SER Axp A 25  ? 134.301 20.777 -11.299 1 86.717  ? 46  A 1 .
ATOM 370  C CB   . SER Axp A 25  ? 137.408 19.968 -10.711 1 92.807  ? 46  A 1 .
ATOM 371  O OG   . SER Axp A 25  ? 136.966 19.277 -11.873 1 93.942  ? 46  A 1 .
ATOM 372  H H    . SER Axp A 25  ? 135.433 18.529 -9.908  1 76.388  ? 46  A 1 c
ATOM 373  H HA   . SER Axp A 25  ? 136.549 20.971 -9.154  1 86.858  ? 46  A 1 c
ATOM 374  H HB3  . SER Axp A 25  ? 137.966 19.377 -10.17  1 91.476  ? 46  A 1 c
ATOM 375  H HB2  . SER Axp A 25  ? 137.94  20.744 -10.973 1 91.476  ? 46  A 1 c
ATOM 376  H HG   . SER Axp A 25  ? 137.709 18.946 -12.258 0 56.38   ? 46  A 1 c
ATOM 377  N N    . VAL Axp A 26  ? 135.769 22.494 -11.019 1 106.005 ? 47  A 1 .
ATOM 378  C CA   . VAL Axp A 26  ? 135.115 23.383 -11.965 1 95.149  ? 47  A 1 .
ATOM 379  C C    . VAL Axp A 26  ? 135.138 22.698 -13.321 1 90.114  ? 47  A 1 .
ATOM 380  O O    . VAL Axp A 26  ? 134.207 22.81  -14.113 1 80.489  ? 47  A 1 .
ATOM 381  C CB   . VAL Axp A 26  ? 135.809 24.748 -12.07  1 81.208  ? 47  A 1 .
ATOM 382  C CG1  . VAL Axp A 26  ? 134.827 25.789 -12.585 1 69.273  ? 47  A 1 .
ATOM 383  C CG2  . VAL Axp A 26  ? 136.47  25.155 -10.751 1 82.9    ? 47  A 1 .
ATOM 384  H H    . VAL Axp A 26  ? 136.517 22.782 -10.581 1 100.334 ? 47  A 1 c
ATOM 385  H HA   . VAL Axp A 26  ? 134.188 23.514 -11.687 1 93.317  ? 47  A 1 c
ATOM 386  H HB   . VAL Axp A 26  ? 136.523 24.657 -12.742 1 81.541  ? 47  A 1 c
ATOM 387  H HG11 . VAL Axp A 26  ? 134.148 25.957 -11.91  1 72.546  ? 47  A 1 c
ATOM 388  H HG12 . VAL Axp A 26  ? 134.402 25.463 -13.396 1 72.625  ? 47  A 1 c
ATOM 389  H HG13 . VAL Axp A 26  ? 135.301 26.614 -12.778 1 72.426  ? 47  A 1 c
ATOM 390  H HG21 . VAL Axp A 26  ? 136.583 26.12  -10.731 1 82.422  ? 47  A 1 c
ATOM 391  H HG22 . VAL Axp A 26  ? 137.34  24.729 -10.676 1 82.595  ? 47  A 1 c
ATOM 392  H HG23 . VAL Axp A 26  ? 135.908 24.882 -10.006 1 82.723  ? 47  A 1 c
ATOM 393  N N    . ASP Axp A 27  ? 136.248 21.99  -13.531 1 90.58   ? 48  A 1 .
ATOM 394  C CA   . ASP Axp A 27  ? 136.496 21.22  -14.727 1 90.031  ? 48  A 1 .
ATOM 395  C C    . ASP Axp A 27  ? 135.455 20.11  -14.89  1 85.353  ? 48  A 1 .
ATOM 396  O O    . ASP Axp A 27  ? 134.698 20.085 -15.858 1 64.912  ? 48  A 1 .
ATOM 397  C CB   . ASP Axp A 27  ? 137.908 20.681 -14.661 1 90.761  ? 48  A 1 .
ATOM 398  C CG   . ASP Axp A 27  ? 138.319 19.933 -15.911 1 101.284 ? 48  A 1 .
ATOM 399  O OD1  . ASP Axp A 27  ? 138.118 20.492 -17.018 1 77.158  ? 48  A 1 .
ATOM 400  O OD2  . ASP Axp A 27  ? 138.807 18.802 -15.743 1 128.371 ? 48  A 1 .
ATOM 401  H H    . ASP Axp A 27  ? 136.903 22.01  -12.895 1 90.556  ? 48  A 1 c
ATOM 402  H HA   . ASP Axp A 27  ? 136.433 21.825 -15.501 1 89.331  ? 48  A 1 c
ATOM 403  H HB3  . ASP Axp A 27  ? 137.998 20.079 -13.895 1 93.065  ? 48  A 1 c
ATOM 404  H HB2  . ASP Axp A 27  ? 138.526 21.429 -14.532 1 93.104  ? 48  A 1 c
ATOM 405  N N    . ASP Axp A 28  ? 135.407 19.193 -13.921 1 86.058  ? 49  A 1 .
ATOM 406  C CA   . ASP Axp A 28  ? 134.475 18.074 -13.964 1 87.736  ? 49  A 1 .
ATOM 407  C C    . ASP Axp A 28  ? 133.063 18.547 -14.325 1 85.325  ? 49  A 1 .
ATOM 408  O O    . ASP Axp A 28  ? 132.292 17.791 -14.921 1 86.214  ? 49  A 1 .
ATOM 409  C CB   . ASP Axp A 28  ? 134.54  17.276 -12.67  1 85.462  ? 49  A 1 .
ATOM 410  C CG   . ASP Axp A 28  ? 135.94  16.821 -12.288 1 89.825  ? 49  A 1 .
ATOM 411  O OD1  . ASP Axp A 28  ? 136.865 16.997 -13.127 1 88.993  ? 49  A 1 .
ATOM 412  O OD2  . ASP Axp A 28  ? 136.109 16.346 -11.145 1 88.074  ? 49  A 1 .
ATOM 413  H H    . ASP Axp A 28  ? 135.964 19.276 -13.202 1 86.403  ? 49  A 1 c
ATOM 414  H HA   . ASP Axp A 28  ? 134.775 17.464 -14.676 1 86.548  ? 49  A 1 c
ATOM 415  H HB3  . ASP Axp A 28  ? 133.971 16.482 -12.758 1 86.961  ? 49  A 1 c
ATOM 416  H HB2  . ASP Axp A 28  ? 134.184 17.825 -11.94  1 86.961  ? 49  A 1 c
ATOM 417  N N    . LEU Axp A 29  ? 132.728 19.795 -13.966 1 78.821  ? 50  A 1 .
ATOM 418  C CA   . LEU Axp A 29  ? 131.401 20.327 -14.229 1 77.839  ? 50  A 1 .
ATOM 419  C C    . LEU Axp A 29  ? 131.302 20.84  -15.654 1 85.16   ? 50  A 1 .
ATOM 420  O O    . LEU Axp A 29  ? 130.268 20.673 -16.299 1 90.587  ? 50  A 1 .
ATOM 421  C CB   . LEU Axp A 29  ? 131.056 21.426 -13.239 1 77.737  ? 50  A 1 .
ATOM 422  C CG   . LEU Axp A 29  ? 130.537 20.901 -11.903 1 92.788  ? 50  A 1 .
ATOM 423  C CD1  . LEU Axp A 29  ? 130.438 22.016 -10.895 1 94.165  ? 50  A 1 .
ATOM 424  C CD2  . LEU Axp A 29  ? 129.194 20.204 -12.097 1 97.618  ? 50  A 1 .
ATOM 425  H H    . LEU Axp A 29  ? 133.331 20.319 -13.523 1 80.213  ? 50  A 1 c
ATOM 426  H HA   . LEU Axp A 29  ? 130.751 19.588 -14.126 1 79.637  ? 50  A 1 c
ATOM 427  H HB3  . LEU Axp A 29  ? 130.366 22.004 -13.64  1 81.082  ? 50  A 1 c
ATOM 428  H HB2  . LEU Axp A 29  ? 131.862 21.967 -13.075 1 81.042  ? 50  A 1 c
ATOM 429  H HG   . LEU Axp A 29  ? 131.185 20.233 -11.56  1 90.893  ? 50  A 1 c
ATOM 430  H HD11 . LEU Axp A 29  ? 131.304 22.447 -10.801 1 93.663  ? 50  A 1 c
ATOM 431  H HD12 . LEU Axp A 29  ? 130.163 21.654 -10.036 1 93.743  ? 50  A 1 c
ATOM 432  H HD13 . LEU Axp A 29  ? 129.782 22.668 -11.195 1 93.734  ? 50  A 1 c
ATOM 433  H HD21 . LEU Axp A 29  ? 129.339 19.293 -12.398 1 95.508  ? 50  A 1 c
ATOM 434  H HD22 . LEU Axp A 29  ? 128.668 20.684 -12.759 1 95.71   ? 50  A 1 c
ATOM 435  H HD23 . LEU Axp A 29  ? 128.716 20.192 -11.253 1 95.551  ? 50  A 1 c
ATOM 436  N N    . ALA Axp A 30  ? 132.376 21.493 -16.111 1 81.267  ? 51  A 1 .
ATOM 437  C CA   . ALA Axp A 30  ? 132.405 22.072 -17.439 1 69.111  ? 51  A 1 .
ATOM 438  C C    . ALA Axp A 30  ? 132.317 20.954 -18.453 1 69.363  ? 51  A 1 .
ATOM 439  O O    . ALA Axp A 30  ? 131.612 21.096 -19.438 1 76.209  ? 51  A 1 .
ATOM 440  C CB   . ALA Axp A 30  ? 133.654 22.894 -17.646 1 70.155  ? 51  A 1 .
ATOM 441  H H    . ALA Axp A 30  ? 133.108 21.59  -15.573 1 79.167  ? 51  A 1 c
ATOM 442  H HA   . ALA Axp A 30  ? 131.607 22.653 -17.541 1 72.077  ? 51  A 1 c
ATOM 443  H HB3  . ALA Axp A 30  ? 133.651 23.274 -18.541 1 69.843  ? 51  A 1 c
ATOM 444  H HB2  . ALA Axp A 30  ? 134.438 22.329 -17.54  1 69.843  ? 51  A 1 c
ATOM 445  H HB1  . ALA Axp A 30  ? 133.685 23.612 -16.992 1 69.843  ? 51  A 1 c
ATOM 446  N N    . LYS Axp A 31  ? 133.046 19.865 -18.179 1 78.916  ? 52  A 1 .
ATOM 447  C CA   . LYS Axp A 31  ? 133.068 18.699 -19.046 1 80.896  ? 52  A 1 .
ATOM 448  C C    . LYS Axp A 31  ? 131.684 18.052 -19.07  1 76.554  ? 52  A 1 .
ATOM 449  O O    . LYS Axp A 31  ? 130.872 18.363 -19.936 1 69.2    ? 52  A 1 .
ATOM 450  C CB   . LYS Axp A 31  ? 134.175 17.727 -18.628 1 82.97   ? 52  A 1 .
ATOM 451  C CG   . LYS Axp A 31  ? 135.572 18.093 -19.103 1 88.529  ? 52  A 1 .
ATOM 452  C CD   . LYS Axp A 31  ? 136.626 17.027 -18.814 1 92.513  ? 52  A 1 .
ATOM 453  C CE   . LYS Axp A 31  ? 137.909 17.326 -19.531 1 109.936 ? 52  A 1 .
ATOM 454  N NZ   . LYS Axp A 31  ? 139.031 16.467 -19.138 1 123.903 ? 52  A 1 .
ATOM 455  H H    . LYS Axp A 31  ? 133.558 19.854 -17.422 1 77.02   ? 52  A 1 c
ATOM 456  H HA   . LYS Axp A 31  ? 133.274 19.01  -19.964 1 80.037  ? 52  A 1 c
ATOM 457  H HB3  . LYS Axp A 31  ? 133.956 16.835 -18.974 1 83.666  ? 52  A 1 c
ATOM 458  H HB2  . LYS Axp A 31  ? 134.189 17.669 -17.648 1 83.663  ? 52  A 1 c
ATOM 459  H HG3  . LYS Axp A 31  ? 135.839 18.932 -18.669 1 88.087  ? 52  A 1 c
ATOM 460  H HG2  . LYS Axp A 31  ? 135.539 18.254 -20.071 1 88.043  ? 52  A 1 c
ATOM 461  H HD3  . LYS Axp A 31  ? 136.29  16.15  -19.104 1 95.332  ? 52  A 1 c
ATOM 462  H HD2  . LYS Axp A 31  ? 136.796 16.991 -17.848 1 95.332  ? 52  A 1 c
ATOM 463  H HE3  . LYS Axp A 31  ? 138.155 18.254 -19.363 1 108.698 ? 52  A 1 c
ATOM 464  H HE2  . LYS Axp A 31  ? 137.764 17.228 -20.49  1 108.697 ? 52  A 1 c
ATOM 465  H HZ1  . LYS Axp A 31  ? 138.886 15.621 -19.428 1 119.423 ? 52  A 1 c
ATOM 466  H HZ2  . LYS Axp A 31  ? 139.111 16.462 -18.235 1 119.423 ? 52  A 1 c
ATOM 467  H HZ3  . LYS Axp A 31  ? 139.799 16.779 -19.503 1 119.423 ? 52  A 1 c
ATOM 468  N N    . GLY Axp A 32  ? 131.393 17.184 -18.102 1 80.89   ? 53  A 1 .
ATOM 469  C CA   . GLY Axp A 32  ? 130.157 16.418 -18.135 1 91.731  ? 53  A 1 .
ATOM 470  C C    . GLY Axp A 32  ? 128.988 17.228 -18.698 1 86.221  ? 53  A 1 .
ATOM 471  O O    . GLY Axp A 32  ? 128.152 16.682 -19.418 1 78.881  ? 53  A 1 .
ATOM 472  H H    . GLY Axp A 32  ? 131.966 17.071 -17.399 1 82.137  ? 53  A 1 c
ATOM 473  H HA3  . GLY Axp A 32  ? 129.939 16.123 -17.219 1 87.8    ? 53  A 1 c
ATOM 474  H HA2  . GLY Axp A 32  ? 130.294 15.613 -18.687 1 87.8    ? 53  A 1 c
ATOM 475  N N    . ALA Axp A 33  ? 128.937 18.526 -18.356 1 81.601  ? 54  A 1 .
ATOM 476  C CA   . ALA Axp A 33  ? 127.836 19.391 -18.749 1 79.615  ? 54  A 1 .
ATOM 477  C C    . ALA Axp A 33  ? 127.896 19.659 -20.252 1 81.546  ? 54  A 1 .
ATOM 478  O O    . ALA Axp A 33  ? 126.862 19.878 -20.878 1 98.35   ? 54  A 1 .
ATOM 479  C CB   . ALA Axp A 33  ? 127.849 20.678 -17.946 1 74.972  ? 54  A 1 .
ATOM 480  H H    . ALA Axp A 33  ? 129.615 18.884 -17.86  1 81.944  ? 54  A 1 c
ATOM 481  H HA   . ALA Axp A 33  ? 126.987 18.91  -18.566 1 79.257  ? 54  A 1 c
ATOM 482  H HB3  . ALA Axp A 33  ? 127.044 21.188 -18.137 1 76.257  ? 54  A 1 c
ATOM 483  H HB2  . ALA Axp A 33  ? 128.627 21.206 -18.189 1 76.316  ? 54  A 1 c
ATOM 484  H HB1  . ALA Axp A 33  ? 127.88  20.476 -16.998 1 76.007  ? 54  A 1 c
ATOM 485  N N    . GLY Axp A 34  ? 129.108 19.659 -20.823 1 75.955  ? 55  A 1 .
ATOM 486  C CA   . GLY Axp A 34  ? 129.297 19.814 -22.259 1 81.898  ? 55  A 1 .
ATOM 487  C C    . GLY Axp A 34  ? 129.698 21.234 -22.675 1 89.764  ? 55  A 1 .
ATOM 488  O O    . GLY Axp A 34  ? 129.803 21.528 -23.865 1 97.856  ? 55  A 1 .
ATOM 489  H H    . GLY Axp A 34  ? 129.848 19.573 -20.295 1 78.681  ? 55  A 1 c
ATOM 490  H HA3  . GLY Axp A 34  ? 128.462 19.566 -22.721 1 82.184  ? 55  A 1 c
ATOM 491  H HA2  . GLY Axp A 34  ? 129.996 19.184 -22.554 1 82.111  ? 55  A 1 c
ATOM 492  N N    . ILE Axp A 35  ? 129.934 22.115 -21.696 1 91.391  ? 56  A 1 .
ATOM 493  C CA   . ILE Axp A 35  ? 130.294 23.499 -21.968 1 91.169  ? 56  A 1 .
ATOM 494  C C    . ILE Axp A 35  ? 131.763 23.722 -21.594 1 82.794  ? 56  A 1 .
ATOM 495  O O    . ILE Axp A 35  ? 132.448 22.793 -21.164 1 75.575  ? 56  A 1 .
ATOM 496  C CB   . ILE Axp A 35  ? 129.331 24.493 -21.271 1 98.079  ? 56  A 1 .
ATOM 497  C CG1  . ILE Axp A 35  ? 129.114 24.201 -19.787 1 91.917  ? 56  A 1 .
ATOM 498  C CG2  . ILE Axp A 35  ? 127.992 24.582 -22.01  1 102.421 ? 56  A 1 .
ATOM 499  C CD1  . ILE Axp A 35  ? 130.312 24.491 -18.906 1 91.314  ? 56  A 1 .
ATOM 500  H H    . ILE Axp A 35  ? 129.893 21.837 -20.827 1 90.683  ? 56  A 1 c
ATOM 501  H HA   . ILE Axp A 35  ? 130.211 23.644 -22.93  1 90.899  ? 56  A 1 c
ATOM 502  H HB   . ILE Axp A 35  ? 129.742 25.376 -21.325 1 96.052  ? 56  A 1 c
ATOM 503  H HG12 . ILE Axp A 35  ? 128.867 23.26  -19.681 1 93.127  ? 56  A 1 c
ATOM 504  H HG13 . ILE Axp A 35  ? 128.361 24.74  -19.472 1 93.235  ? 56  A 1 c
ATOM 505  H HG21 . ILE Axp A 35  ? 127.418 25.227 -21.565 1 100.963 ? 56  A 1 c
ATOM 506  H HG22 . ILE Axp A 35  ? 127.56  23.711 -22.009 1 101.09  ? 56  A 1 c
ATOM 507  H HG23 . ILE Axp A 35  ? 128.144 24.865 -22.927 1 101.09  ? 56  A 1 c
ATOM 508  H HD11 . ILE Axp A 35  ? 131.04  23.883 -19.129 1 91      ? 56  A 1 c
ATOM 509  H HD12 . ILE Axp A 35  ? 130.064 24.37  -17.97  1 91.231  ? 56  A 1 c
ATOM 510  H HD13 . ILE Axp A 35  ? 130.604 25.411 -19.047 1 91.355  ? 56  A 1 c
ATOM 511  N N    . SER Axp A 36  ? 132.235 24.964 -21.797 1 79.688  ? 57  A 1 .
ATOM 512  C CA   . SER Axp A 36  ? 133.621 25.363 -21.588 1 77.05   ? 57  A 1 .
ATOM 513  C C    . SER Axp A 36  ? 133.809 26.007 -20.219 1 86.11   ? 57  A 1 .
ATOM 514  O O    . SER Axp A 36  ? 132.901 26.656 -19.698 1 93.024  ? 57  A 1 .
ATOM 515  C CB   . SER Axp A 36  ? 134.078 26.301 -22.678 1 73.239  ? 57  A 1 .
ATOM 516  O OG   . SER Axp A 36  ? 133.144 27.344 -22.921 1 73.226  ? 57  A 1 .
ATOM 517  H H    . SER Axp A 36  ? 131.656 25.598 -22.108 1 80.147  ? 57  A 1 c
ATOM 518  H HA   . SER Axp A 36  ? 134.185 24.549 -21.626 1 78.486  ? 57  A 1 c
ATOM 519  H HB3  . SER Axp A 36  ? 134.211 25.793 -23.501 1 74.093  ? 57  A 1 c
ATOM 520  H HB2  . SER Axp A 36  ? 134.936 26.691 -22.427 1 74.13   ? 57  A 1 c
ATOM 521  H HG   . SER Axp A 36  ? 133.388 27.804 -23.615 0 55.37   ? 57  A 1 c
ATOM 522  N N    . ARG Axp A 37  ? 135.01  25.85  -19.651 1 90.407  ? 58  A 1 .
ATOM 523  C CA   . ARG Axp A 37  ? 135.321 26.494 -18.385 1 92.295  ? 58  A 1 .
ATOM 524  C C    . ARG Axp A 37  ? 134.786 27.927 -18.442 1 87.08   ? 58  A 1 .
ATOM 525  O O    . ARG Axp A 37  ? 133.857 28.26  -17.709 1 85.883  ? 58  A 1 .
ATOM 526  C CB   . ARG Axp A 37  ? 136.815 26.408 -18.052 1 90.857  ? 58  A 1 .
ATOM 527  C CG   . ARG Axp A 37  ? 137.308 25.023 -17.667 1 93.927  ? 58  A 1 .
ATOM 528  C CD   . ARG Axp A 37  ? 138.704 24.765 -18.227 1 97.135  ? 58  A 1 .
ATOM 529  N NE   . ARG Axp A 37  ? 139.459 23.786 -17.439 1 102.467 ? 58  A 1 .
ATOM 530  C CZ   . ARG Axp A 37  ? 139.753 23.867 -16.138 1 111.892 ? 58  A 1 .
ATOM 531  N NH1  . ARG Axp A 37  ? 139.304 24.871 -15.412 1 121.808 ? 58  A 1 .
ATOM 532  N NH2  . ARG Axp A 37  ? 140.474 22.923 -15.549 1 110.148 ? 58  A 1 .
ATOM 533  H H    . ARG Axp A 37  ? 135.646 25.335 -20.057 1 89.595  ? 58  A 1 c
ATOM 534  H HA   . ARG Axp A 37  ? 134.828 26.013 -17.673 1 90.659  ? 58  A 1 c
ATOM 535  H HB3  . ARG Axp A 37  ? 137.005 27.024 -17.312 1 91.814  ? 58  A 1 c
ATOM 536  H HB2  . ARG Axp A 37  ? 137.325 26.717 -18.83  1 91.679  ? 58  A 1 c
ATOM 537  H HG3  . ARG Axp A 37  ? 136.69  24.347 -18.02  1 93.999  ? 58  A 1 c
ATOM 538  H HG2  . ARG Axp A 37  ? 137.325 24.942 -16.69  1 94.318  ? 58  A 1 c
ATOM 539  H HD3  . ARG Axp A 37  ? 139.203 25.607 -18.25  1 97.55   ? 58  A 1 c
ATOM 540  H HD2  . ARG Axp A 37  ? 138.622 24.44  -19.147 1 97.615  ? 58  A 1 c
ATOM 541  H HE   . ARG Axp A 37  ? 139.745 23.078 -17.858 1 103.431 ? 58  A 1 c
ATOM 542  H HH11 . ARG Axp A 37  ? 139.617 25.686 -15.548 1 118.612 ? 58  A 1 c
ATOM 543  H HH12 . ARG Axp A 37  ? 138.692 24.723 -14.792 1 118.44  ? 58  A 1 c
ATOM 544  H HH21 . ARG Axp A 37  ? 140.995 22.399 -16.034 1 110.601 ? 58  A 1 c
ATOM 545  H HH22 . ARG Axp A 37  ? 140.433 22.822 -14.671 1 110.592 ? 58  A 1 c
ATOM 546  N N    . PRO Axp A 38  ? 135.286 28.821 -19.333 1 75.872  ? 59  A 1 .
ATOM 547  C CA   . PRO Axp A 38  ? 134.821 30.198 -19.322 1 70.652  ? 59  A 1 .
ATOM 548  C C    . PRO Axp A 38  ? 133.303 30.257 -19.34  1 67.313  ? 59  A 1 .
ATOM 549  O O    . PRO Axp A 38  ? 132.709 30.989 -18.56  1 73.567  ? 59  A 1 .
ATOM 550  C CB   . PRO Axp A 38  ? 135.509 30.836 -20.523 1 65.682  ? 59  A 1 .
ATOM 551  C CG   . PRO Axp A 38  ? 135.832 29.635 -21.391 1 68.027  ? 59  A 1 .
ATOM 552  C CD   . PRO Axp A 38  ? 136.241 28.576 -20.423 1 71.606  ? 59  A 1 .
ATOM 553  H HA   . PRO Axp A 38  ? 135.144 30.635 -18.507 1 70.078  ? 59  A 1 c
ATOM 554  H HB3  . PRO Axp A 38  ? 136.322 31.304 -20.255 1 67.299  ? 59  A 1 c
ATOM 555  H HB2  . PRO Axp A 38  ? 134.911 31.455 -20.985 1 67.298  ? 59  A 1 c
ATOM 556  H HG3  . PRO Axp A 38  ? 136.561 29.838 -22.01  1 68.298  ? 59  A 1 c
ATOM 557  H HG2  . PRO Axp A 38  ? 135.049 29.352 -21.903 1 68.313  ? 59  A 1 c
ATOM 558  H HD3  . PRO Axp A 38  ? 136.132 27.684 -20.798 1 72.016  ? 59  A 1 c
ATOM 559  H HD2  . PRO Axp A 38  ? 137.16  28.696 -20.125 1 71.901  ? 59  A 1 c
ATOM 560  N N    . THR Axp A 39  ? 132.683 29.427 -20.178 1 69.97   ? 60  A 1 .
ATOM 561  C CA   . THR Axp A 39  ? 131.242 29.492 -20.361 1 77.392  ? 60  A 1 .
ATOM 562  C C    . THR Axp A 39  ? 130.563 29.229 -19.024 1 68.023  ? 60  A 1 .
ATOM 563  O O    . THR Axp A 39  ? 129.504 29.768 -18.756 1 70.918  ? 60  A 1 .
ATOM 564  C CB   . THR Axp A 39  ? 130.751 28.515 -21.434 1 88.859  ? 60  A 1 .
ATOM 565  O OG1  . THR Axp A 39  ? 131.235 28.914 -22.713 1 97.733  ? 60  A 1 .
ATOM 566  C CG2  . THR Axp A 39  ? 129.238 28.488 -21.541 1 96.103  ? 60  A 1 .
ATOM 567  H H    . THR Axp A 39  ? 133.163 28.812 -20.654 1 71.159  ? 60  A 1 c
ATOM 568  H HA   . THR Axp A 39  ? 131.014 30.403 -20.65  1 75.961  ? 60  A 1 c
ATOM 569  H HB   . THR Axp A 39  ? 131.075 27.606 -21.23  1 89.439  ? 60  A 1 c
ATOM 570  H HG1  . THR Axp A 39  ? 131.039 29.796 -22.987 0 54.4    ? 60  A 1 c
ATOM 571  H HG21 . THR Axp A 39  ? 128.98  28.192 -22.43  1 93.832  ? 60  A 1 c
ATOM 572  H HG22 . THR Axp A 39  ? 128.885 29.38  -21.384 1 93.625  ? 60  A 1 c
ATOM 573  H HG23 . THR Axp A 39  ? 128.875 27.876 -20.879 1 93.701  ? 60  A 1 c
ATOM 574  N N    . PHE Axp A 40  ? 131.155 28.376 -18.197 1 66.912  ? 61  A 1 .
ATOM 575  C CA   . PHE Axp A 40  ? 130.581 28.086 -16.893 1 68.377  ? 61  A 1 .
ATOM 576  C C    . PHE Axp A 40  ? 130.503 29.382 -16.088 1 64.831  ? 61  A 1 .
ATOM 577  O O    . PHE Axp A 40  ? 129.421 29.844 -15.774 1 63.803  ? 61  A 1 .
ATOM 578  C CB   . PHE Axp A 40  ? 131.424 26.993 -16.223 1 68.9    ? 61  A 1 .
ATOM 579  C CG   . PHE Axp A 40  ? 131.201 26.79  -14.731 1 60.939  ? 61  A 1 .
ATOM 580  C CD1  . PHE Axp A 40  ? 131.87  27.556 -13.783 1 65.289  ? 61  A 1 .
ATOM 581  C CD2  . PHE Axp A 40  ? 130.341 25.807 -14.285 1 60.472  ? 61  A 1 .
ATOM 582  C CE1  . PHE Axp A 40  ? 131.664 27.346 -12.429 1 66.497  ? 61  A 1 .
ATOM 583  C CE2  . PHE Axp A 40  ? 130.139 25.599 -12.933 1 65.62   ? 61  A 1 .
ATOM 584  C CZ   . PHE Axp A 40  ? 130.805 26.363 -12.01  1 65.845  ? 61  A 1 .
ATOM 585  H H    . PHE Axp A 40  ? 131.919 27.946 -18.453 1 67.674  ? 61  A 1 c
ATOM 586  H HA   . PHE Axp A 40  ? 129.659 27.738 -17.024 1 67.517  ? 61  A 1 c
ATOM 587  H HB3  . PHE Axp A 40  ? 132.371 27.205 -16.365 1 66.982  ? 61  A 1 c
ATOM 588  H HB2  . PHE Axp A 40  ? 131.245 26.144 -16.683 1 66.83   ? 61  A 1 c
ATOM 589  H HD1  . PHE Axp A 40  ? 132.467 28.23  -14.066 1 64.583  ? 61  A 1 c
ATOM 590  H HD2  . PHE Axp A 40  ? 129.889 25.268 -14.912 1 62.292  ? 61  A 1 c
ATOM 591  H HE1  . PHE Axp A 40  ? 132.12  27.877 -11.795 1 66.003  ? 61  A 1 c
ATOM 592  H HE2  . PHE Axp A 40  ? 129.546 24.923 -12.646 1 64.444  ? 61  A 1 c
ATOM 593  H HZ   . PHE Axp A 40  ? 130.66  26.224 -11.087 1 65.882  ? 61  A 1 c
ATOM 594  N N    . TYR Axp A 41  ? 131.668 29.976 -15.805 1 69.404  ? 62  A 1 .
ATOM 595  C CA   . TYR Axp A 41  ? 131.807 31.168 -14.984 1 63.41   ? 62  A 1 .
ATOM 596  C C    . TYR Axp A 41  ? 130.889 32.308 -15.383 1 60.013  ? 62  A 1 .
ATOM 597  O O    . TYR Axp A 41  ? 130.587 33.163 -14.556 1 63.109  ? 62  A 1 .
ATOM 598  C CB   . TYR Axp A 41  ? 133.232 31.675 -15.133 1 62.471  ? 62  A 1 .
ATOM 599  C CG   . TYR Axp A 41  ? 134.164 30.872 -14.252 1 64.549  ? 62  A 1 .
ATOM 600  C CD1  . TYR Axp A 41  ? 133.917 30.751 -12.885 1 67.376  ? 62  A 1 .
ATOM 601  C CD2  . TYR Axp A 41  ? 135.261 30.218 -14.79  1 55.111  ? 62  A 1 .
ATOM 602  C CE1  . TYR Axp A 41  ? 134.773 30.036 -12.066 1 65.067  ? 62  A 1 .
ATOM 603  C CE2  . TYR Axp A 41  ? 136.139 29.53  -13.974 1 58.092  ? 62  A 1 .
ATOM 604  C CZ   . TYR Axp A 41  ? 135.886 29.422 -12.617 1 59.748  ? 62  A 1 .
ATOM 605  O OH   . TYR Axp A 41  ? 136.742 28.686 -11.852 1 53.245  ? 62  A 1 .
ATOM 606  H H    . TYR Axp A 41  ? 132.429 29.605 -16.151 1 66.846  ? 62  A 1 c
ATOM 607  H HA   . TYR Axp A 41  ? 131.64  30.929 -14.043 1 63.757  ? 62  A 1 c
ATOM 608  H HB3  . TYR Axp A 41  ? 133.268 32.622 -14.87  1 63.138  ? 62  A 1 c
ATOM 609  H HB2  . TYR Axp A 41  ? 133.51  31.591 -16.072 1 63.175  ? 62  A 1 c
ATOM 610  H HD1  . TYR Axp A 41  ? 133.171 31.187 -12.505 1 65.916  ? 62  A 1 c
ATOM 611  H HD2  . TYR Axp A 41  ? 135.452 30.305 -15.711 1 58.022  ? 62  A 1 c
ATOM 612  H HE1  . TYR Axp A 41  ? 134.603 29.968 -11.142 1 64.156  ? 62  A 1 c
ATOM 613  H HE2  . TYR Axp A 41  ? 136.881 29.09  -14.347 1 57.854  ? 62  A 1 c
ATOM 614  H HH   . TYR Axp A 41  ? 136.553 28.673 -11.181 0 35.68   ? 62  A 1 c
ATOM 615  N N    . PHE Axp A 42  ? 130.484 32.315 -16.648 1 60.518  ? 63  A 1 .
ATOM 616  C CA   . PHE Axp A 42  ? 129.504 33.268 -17.122 1 67.757  ? 63  A 1 .
ATOM 617  C C    . PHE Axp A 42  ? 128.172 33.029 -16.43  1 62.309  ? 63  A 1 .
ATOM 618  O O    . PHE Axp A 42  ? 127.424 33.975 -16.241 1 73.225  ? 63  A 1 .
ATOM 619  C CB   . PHE Axp A 42  ? 129.325 33.09  -18.627 1 80.83   ? 63  A 1 .
ATOM 620  C CG   . PHE Axp A 42  ? 128.555 34.155 -19.381 1 80.555  ? 63  A 1 .
ATOM 621  C CD1  . PHE Axp A 42  ? 128.204 35.355 -18.777 1 70.073  ? 63  A 1 .
ATOM 622  C CD2  . PHE Axp A 42  ? 128.294 33.974 -20.739 1 87.318  ? 63  A 1 .
ATOM 623  C CE1  . PHE Axp A 42  ? 127.545 36.323 -19.495 1 68.33   ? 63  A 1 .
ATOM 624  C CE2  . PHE Axp A 42  ? 127.646 34.954 -21.462 1 85.54   ? 63  A 1 .
ATOM 625  C CZ   . PHE Axp A 42  ? 127.278 36.132 -20.836 1 79.321  ? 63  A 1 .
ATOM 626  H H    . PHE Axp A 42  ? 130.846 31.723 -17.243 1 62.268  ? 63  A 1 c
ATOM 627  H HA   . PHE Axp A 42  ? 129.823 34.189 -16.928 1 67.426  ? 63  A 1 c
ATOM 628  H HB3  . PHE Axp A 42  ? 128.879 32.228 -18.777 1 77.389  ? 63  A 1 c
ATOM 629  H HB2  . PHE Axp A 42  ? 130.219 33.018 -19.03  1 77.309  ? 63  A 1 c
ATOM 630  H HD1  . PHE Axp A 42  ? 128.392 35.498 -17.865 1 72.057  ? 63  A 1 c
ATOM 631  H HD2  . PHE Axp A 42  ? 128.555 33.171 -21.162 1 85.026  ? 63  A 1 c
ATOM 632  H HE1  . PHE Axp A 42  ? 127.291 37.129 -19.074 1 71.42   ? 63  A 1 c
ATOM 633  H HE2  . PHE Axp A 42  ? 127.448 34.818 -22.375 1 84.205  ? 63  A 1 c
ATOM 634  H HZ   . PHE Axp A 42  ? 126.818 36.797 -21.322 1 77.973  ? 63  A 1 c
ATOM 635  N N    . TYR Axp A 43  ? 127.902 31.766 -16.094 1 58.321  ? 64  A 1 .
ATOM 636  C CA   . TYR Axp A 43  ? 126.676 31.36  -15.442 1 56.373  ? 64  A 1 .
ATOM 637  C C    . TYR Axp A 43  ? 126.89  31.346 -13.941 1 55.33   ? 64  A 1 .
ATOM 638  O O    . TYR Axp A 43  ? 126.075 31.863 -13.196 1 68.774  ? 64  A 1 .
ATOM 639  C CB   . TYR Axp A 43  ? 126.211 29.994 -15.947 1 61.468  ? 64  A 1 .
ATOM 640  C CG   . TYR Axp A 43  ? 125.625 30.11  -17.343 1 66.98   ? 64  A 1 .
ATOM 641  C CD1  . TYR Axp A 43  ? 126.421 29.935 -18.462 1 73.781  ? 64  A 1 .
ATOM 642  C CD2  . TYR Axp A 43  ? 124.295 30.462 -17.539 1 70.858  ? 64  A 1 .
ATOM 643  C CE1  . TYR Axp A 43  ? 125.905 30.077 -19.74  1 77.074  ? 64  A 1 .
ATOM 644  C CE2  . TYR Axp A 43  ? 123.767 30.61  -18.808 1 79.439  ? 64  A 1 .
ATOM 645  C CZ   . TYR Axp A 43  ? 124.574 30.415 -19.915 1 79.975  ? 64  A 1 .
ATOM 646  O OH   . TYR Axp A 43  ? 124.036 30.572 -21.157 1 77.277  ? 64  A 1 .
ATOM 647  H H    . TYR Axp A 43  ? 128.509 31.118 -16.307 1 58.922  ? 64  A 1 c
ATOM 648  H HA   . TYR Axp A 43  ? 125.97  32.028 -15.653 1 57.663  ? 64  A 1 c
ATOM 649  H HB3  . TYR Axp A 43  ? 125.527 29.642 -15.336 1 61.445  ? 64  A 1 c
ATOM 650  H HB2  . TYR Axp A 43  ? 126.975 29.376 -15.962 1 61.458  ? 64  A 1 c
ATOM 651  H HD1  . TYR Axp A 43  ? 127.328 29.706 -18.352 1 72.867  ? 64  A 1 c
ATOM 652  H HD2  . TYR Axp A 43  ? 123.739 30.604 -16.789 1 71.888  ? 64  A 1 c
ATOM 653  H HE1  . TYR Axp A 43  ? 126.459 29.943 -20.49  1 76.993  ? 64  A 1 c
ATOM 654  H HE2  . TYR Axp A 43  ? 122.862 30.842 -18.918 1 77.665  ? 64  A 1 c
ATOM 655  H HH   . TYR Axp A 43  ? 124.643 30.703 -21.733 0 55.25   ? 64  A 1 c
ATOM 656  N N    . PHE Axp A 44  ? 127.994 30.758 -13.506 1 57.754  ? 65  A 1 .
ATOM 657  C CA   . PHE Axp A 44  ? 128.259 30.616 -12.092 1 58.803  ? 65  A 1 .
ATOM 658  C C    . PHE Axp A 44  ? 129.625 31.168 -11.754 1 54.402  ? 65  A 1 .
ATOM 659  O O    . PHE Axp A 44  ? 130.581 30.999 -12.498 1 64.346  ? 65  A 1 .
ATOM 660  C CB   . PHE Axp A 44  ? 128.184 29.143 -11.691 1 63.365  ? 65  A 1 .
ATOM 661  C CG   . PHE Axp A 44  ? 126.738 28.683 -11.618 1 64.292  ? 65  A 1 .
ATOM 662  C CD1  . PHE Axp A 44  ? 126.023 28.424 -12.779 1 61.543  ? 65  A 1 .
ATOM 663  C CD2  . PHE Axp A 44  ? 126.089 28.574 -10.391 1 64.852  ? 65  A 1 .
ATOM 664  C CE1  . PHE Axp A 44  ? 124.699 28.023 -12.71  1 68.35   ? 65  A 1 .
ATOM 665  C CE2  . PHE Axp A 44  ? 124.771 28.175 -10.326 1 67.885  ? 65  A 1 .
ATOM 666  C CZ   . PHE Axp A 44  ? 124.074 27.907 -11.486 1 73.142  ? 65  A 1 .
ATOM 667  H H    . PHE Axp A 44  ? 128.6   30.427 -14.105 1 57.447  ? 65  A 1 c
ATOM 668  H HA   . PHE Axp A 44  ? 127.571 31.118 -11.587 1 58.525  ? 65  A 1 c
ATOM 669  H HB3  . PHE Axp A 44  ? 128.61  29.026 -10.813 1 62.467  ? 65  A 1 c
ATOM 670  H HB2  . PHE Axp A 44  ? 128.666 28.604 -12.357 1 62.499  ? 65  A 1 c
ATOM 671  H HD1  . PHE Axp A 44  ? 126.45  28.498 -13.617 1 63.697  ? 65  A 1 c
ATOM 672  H HD2  . PHE Axp A 44  ? 126.561 28.761 -9.598  1 64.719  ? 65  A 1 c
ATOM 673  H HE1  . PHE Axp A 44  ? 124.224 27.834 -13.502 1 67.797  ? 65  A 1 c
ATOM 674  H HE2  . PHE Axp A 44  ? 124.343 28.1   -9.49   1 67.928  ? 65  A 1 c
ATOM 675  H HZ   . PHE Axp A 44  ? 123.172 27.633 -11.441 1 70.583  ? 65  A 1 c
ATOM 676  N N    . PRO Axp A 45  ? 129.741 31.828 -10.595 1 52.979  ? 66  A 1 .
ATOM 677  C CA   . PRO Axp A 45  ? 131.033 32.232 -10.056 1 57.393  ? 66  A 1 .
ATOM 678  C C    . PRO Axp A 45  ? 131.796 31.135 -9.309  1 56.266  ? 66  A 1 .
ATOM 679  O O    . PRO Axp A 45  ? 133.02  31.18  -9.211  1 54.951  ? 66  A 1 .
ATOM 680  C CB   . PRO Axp A 45  ? 130.643 33.393 -9.162  1 55.202  ? 66  A 1 .
ATOM 681  C CG   . PRO Axp A 45  ? 129.311 32.902 -8.627  1 58.134  ? 66  A 1 .
ATOM 682  C CD   . PRO Axp A 45  ? 128.614 32.308 -9.795  1 54.975  ? 66  A 1 .
ATOM 683  H HA   . PRO Axp A 45  ? 131.593 32.57  -10.786 1 55.936  ? 66  A 1 c
ATOM 684  H HB3  . PRO Axp A 45  ? 130.54  34.218 -9.675  1 56.341  ? 66  A 1 c
ATOM 685  H HB2  . PRO Axp A 45  ? 131.291 33.523 -8.443  1 56.34   ? 66  A 1 c
ATOM 686  H HG3  . PRO Axp A 45  ? 128.791 33.643 -8.258  1 56.722  ? 66  A 1 c
ATOM 687  H HG2  . PRO Axp A 45  ? 129.444 32.231 -7.929  1 56.714  ? 66  A 1 c
ATOM 688  H HD3  . PRO Axp A 45  ? 128.033 31.571 -9.526  1 55.248  ? 66  A 1 c
ATOM 689  H HD2  . PRO Axp A 45  ? 128.095 32.976 -10.284 1 55.23   ? 66  A 1 c
ATOM 690  N N    . SER Axp A 46  ? 131.077 30.162 -8.754  1 55.21   ? 67  A 1 .
ATOM 691  C CA   . SER Axp A 46  ? 131.724 29.104 -8.003  1 55.221  ? 67  A 1 .
ATOM 692  C C    . SER Axp A 46  ? 130.865 27.864 -8.114  1 59.018  ? 67  A 1 .
ATOM 693  O O    . SER Axp A 46  ? 129.794 27.94  -8.706  1 59.279  ? 67  A 1 .
ATOM 694  C CB   . SER Axp A 46  ? 131.913 29.476 -6.567  1 54.187  ? 67  A 1 .
ATOM 695  O OG   . SER Axp A 46  ? 130.658 29.69  -5.95   1 53.981  ? 67  A 1 .
ATOM 696  H H    . SER Axp A 46  ? 130.167 30.157 -8.837  1 55.5    ? 67  A 1 c
ATOM 697  H HA   . SER Axp A 46  ? 132.608 28.915 -8.409  1 55.701  ? 67  A 1 c
ATOM 698  H HB3  . SER Axp A 46  ? 132.448 30.29  -6.511  1 54.408  ? 67  A 1 c
ATOM 699  H HB2  . SER Axp A 46  ? 132.389 28.763 -6.104  1 54.556  ? 67  A 1 c
ATOM 700  H HG   . SER Axp A 46  ? 130.863 29.926 -5.123  0 37.68   ? 67  A 1 c
ATOM 701  N N    . LYS Axp A 47  ? 131.346 26.761 -7.526  1 60.072  ? 68  A 1 .
ATOM 702  C CA   . LYS Axp A 47  ? 130.597 25.514 -7.493  1 62.659  ? 68  A 1 .
ATOM 703  C C    . LYS Axp A 47  ? 129.545 25.537 -6.373  1 64.162  ? 68  A 1 .
ATOM 704  O O    . LYS Axp A 47  ? 128.411 25.049 -6.577  1 51.286  ? 68  A 1 .
ATOM 705  C CB   . LYS Axp A 47  ? 131.554 24.314 -7.431  1 66.355  ? 68  A 1 .
ATOM 706  C CG   . LYS Axp A 47  ? 132.582 24.303 -6.313  1 70.028  ? 68  A 1 .
ATOM 707  C CD   . LYS Axp A 47  ? 133.368 22.995 -6.239  1 64.057  ? 68  A 1 .
ATOM 708  C CE   . LYS Axp A 47  ? 134.249 22.987 -5.035  1 67.108  ? 68  A 1 .
ATOM 709  N NZ   . LYS Axp A 47  ? 135.346 22.045 -5.229  1 73.999  ? 68  A 1 .
ATOM 710  H H    . LYS Axp A 47  ? 132.173 26.788 -7.14   1 60.419  ? 68  A 1 c
ATOM 711  H HA   . LYS Axp A 47  ? 130.117 25.435 -8.35   1 62.909  ? 68  A 1 c
ATOM 712  H HB3  . LYS Axp A 47  ? 132.035 24.265 -8.285  1 66.315  ? 68  A 1 c
ATOM 713  H HB2  . LYS Axp A 47  ? 131.014 23.499 -7.354  1 66.315  ? 68  A 1 c
ATOM 714  H HG3  . LYS Axp A 47  ? 132.121 24.45  -5.459  1 67.691  ? 68  A 1 c
ATOM 715  H HG2  . LYS Axp A 47  ? 133.209 25.045 -6.452  1 67.67   ? 68  A 1 c
ATOM 716  H HD3  . LYS Axp A 47  ? 133.918 22.897 -7.047  1 66.144  ? 68  A 1 c
ATOM 717  H HD2  . LYS Axp A 47  ? 132.744 22.239 -6.19   1 66.078  ? 68  A 1 c
ATOM 718  H HE3  . LYS Axp A 47  ? 133.735 22.725 -4.25   1 67.956  ? 68  A 1 c
ATOM 719  H HE2  . LYS Axp A 47  ? 134.615 23.877 -4.883  1 67.967  ? 68  A 1 c
ATOM 720  H HZ1  . LYS Axp A 47  ? 135.892 22.34  -5.889  1 71.753  ? 68  A 1 c
ATOM 721  H HZ2  . LYS Axp A 47  ? 135.018 21.231 -5.455  1 71.747  ? 68  A 1 c
ATOM 722  H HZ3  . LYS Axp A 47  ? 135.822 21.97  -4.461  1 71.785  ? 68  A 1 c
ATOM 723  N N    . GLU Axp A 48  ? 129.934 26.118 -5.209  1 57.622  ? 69  A 1 .
ATOM 724  C CA   . GLU Axp A 48  ? 129.022 26.324 -4.087  1 54.672  ? 69  A 1 .
ATOM 725  C C    . GLU Axp A 48  ? 127.765 27.018 -4.613  1 48.719  ? 69  A 1 .
ATOM 726  O O    . GLU Axp A 48  ? 126.631 26.759 -4.196  1 41.811  ? 69  A 1 .
ATOM 727  C CB   . GLU Axp A 48  ? 129.66  27.176 -2.993  1 54.956  ? 69  A 1 .
ATOM 728  C CG   . GLU Axp A 48  ? 130.85  26.511 -2.308  1 62.215  ? 69  A 1 .
ATOM 729  C CD   . GLU Axp A 48  ? 132.094 26.287 -3.157  1 68.154  ? 69  A 1 .
ATOM 730  O OE1  . GLU Axp A 48  ? 132.323 27.11  -4.066  1 80.913  ? 69  A 1 .
ATOM 731  O OE2  . GLU Axp A 48  ? 132.864 25.329 -2.893  1 67.715  ? 69  A 1 .
ATOM 732  H H    . GLU Axp A 48  ? 130.797 26.404 -5.129  1 58.59   ? 69  A 1 c
ATOM 733  H HA   . GLU Axp A 48  ? 128.773 25.44  -3.716  1 54.134  ? 69  A 1 c
ATOM 734  H HB3  . GLU Axp A 48  ? 128.981 27.377 -2.315  1 56.443  ? 69  A 1 c
ATOM 735  H HB2  . GLU Axp A 48  ? 129.95  28.026 -3.384  1 56.565  ? 69  A 1 c
ATOM 736  H HG3  . GLU Axp A 48  ? 130.561 25.64  -1.96   1 61.757  ? 69  A 1 c
ATOM 737  H HG2  . GLU Axp A 48  ? 131.106 27.055 -1.534  1 61.757  ? 69  A 1 c
ATOM 738  N N    . ALA Axp A 49  ? 128.018 27.876 -5.598  1 43.998  ? 70  A 1 .
ATOM 739  C CA   . ALA Axp A 49  ? 126.989 28.608 -6.29   1 42.671  ? 70  A 1 .
ATOM 740  C C    . ALA Axp A 49  ? 126.048 27.644 -6.981  1 43.674  ? 70  A 1 .
ATOM 741  O O    . ALA Axp A 49  ? 124.839 27.81  -6.946  1 46.937  ? 70  A 1 .
ATOM 742  C CB   . ALA Axp A 49  ? 127.631 29.563 -7.262  1 42.881  ? 70  A 1 .
ATOM 743  H H    . ALA Axp A 49  ? 128.888 28.036 -5.83   1 44.989  ? 70  A 1 c
ATOM 744  H HA   . ALA Axp A 49  ? 126.468 29.127 -5.616  1 43.149  ? 70  A 1 c
ATOM 745  H HB3  . ALA Axp A 49  ? 126.948 30.125 -7.665  1 43.017  ? 70  A 1 c
ATOM 746  H HB2  . ALA Axp A 49  ? 128.086 29.064 -7.957  1 43.114  ? 70  A 1 c
ATOM 747  H HB1  . ALA Axp A 49  ? 128.272 30.124 -6.795  1 42.978  ? 70  A 1 c
ATOM 748  N N    . VAL Axp A 50  ? 126.613 26.657 -7.653  1 48.387  ? 71  A 1 .
ATOM 749  C CA   . VAL Axp A 50  ? 125.777 25.723 -8.37   1 52.194  ? 71  A 1 .
ATOM 750  C C    . VAL Axp A 50  ? 124.983 24.93  -7.346  1 52.926  ? 71  A 1 .
ATOM 751  O O    . VAL Axp A 50  ? 123.795 24.663 -7.532  1 47.054  ? 71  A 1 .
ATOM 752  C CB   . VAL Axp A 50  ? 126.594 24.794 -9.271  1 54.978  ? 71  A 1 .
ATOM 753  C CG1  . VAL Axp A 50  ? 125.699 24.176 -10.335 1 60.345  ? 71  A 1 .
ATOM 754  C CG2  . VAL Axp A 50  ? 127.766 25.512 -9.926  1 53.068  ? 71  A 1 .
ATOM 755  H H    . VAL Axp A 50  ? 127.521 26.562 -7.669  1 48.206  ? 71  A 1 c
ATOM 756  H HA   . VAL Axp A 50  ? 125.155 26.221 -8.924  1 52.213  ? 71  A 1 c
ATOM 757  H HB   . VAL Axp A 50  ? 126.951 24.07  -8.705  1 55.024  ? 71  A 1 c
ATOM 758  H HG11 . VAL Axp A 50  ? 125.409 24.865 -10.956 1 58.735  ? 71  A 1 c
ATOM 759  H HG12 . VAL Axp A 50  ? 124.922 23.773 -9.913  1 58.772  ? 71  A 1 c
ATOM 760  H HG13 . VAL Axp A 50  ? 126.194 23.493 -10.818 1 58.78   ? 71  A 1 c
ATOM 761  H HG21 . VAL Axp A 50  ? 127.936 25.124 -10.801 1 53.722  ? 71  A 1 c
ATOM 762  H HG22 . VAL Axp A 50  ? 128.555 25.412 -9.374  1 53.729  ? 71  A 1 c
ATOM 763  H HG23 . VAL Axp A 50  ? 127.56  26.454 -10.026 1 53.683  ? 71  A 1 c
ATOM 764  N N    . LEU Axp A 51  ? 125.656 24.61  -6.238  1 57.908  ? 72  A 1 .
ATOM 765  C CA   . LEU Axp A 51  ? 124.997 23.892 -5.158  1 59.13   ? 72  A 1 .
ATOM 766  C C    . LEU Axp A 51  ? 123.781 24.687 -4.711  1 53.366  ? 72  A 1 .
ATOM 767  O O    . LEU Axp A 51  ? 122.675 24.146 -4.667  1 48.017  ? 72  A 1 .
ATOM 768  C CB   . LEU Axp A 51  ? 125.913 23.604 -3.968  1 56.958  ? 72  A 1 .
ATOM 769  C CG   . LEU Axp A 51  ? 125.275 22.806 -2.826  1 55.4    ? 72  A 1 .
ATOM 770  C CD1  . LEU Axp A 51  ? 124.381 21.705 -3.377  1 57.376  ? 72  A 1 .
ATOM 771  C CD2  . LEU Axp A 51  ? 126.355 22.216 -1.934  1 56.265  ? 72  A 1 .
ATOM 772  H H    . LEU Axp A 51  ? 126.539 24.829 -6.153  1 56.796  ? 72  A 1 c
ATOM 773  H HA   . LEU Axp A 51  ? 124.678 23.032 -5.529  1 57.302  ? 72  A 1 c
ATOM 774  H HB3  . LEU Axp A 51  ? 126.23  24.462 -3.606  1 56.968  ? 72  A 1 c
ATOM 775  H HB2  . LEU Axp A 51  ? 126.697 23.106 -4.296  1 57.059  ? 72  A 1 c
ATOM 776  H HG   . LEU Axp A 51  ? 124.719 23.422 -2.282  1 56.196  ? 72  A 1 c
ATOM 777  H HD11 . LEU Axp A 51  ? 123.527 22.08  -3.647  1 56.723  ? 72  A 1 c
ATOM 778  H HD12 . LEU Axp A 51  ? 124.232 21.035 -2.689  1 56.77   ? 72  A 1 c
ATOM 779  H HD13 . LEU Axp A 51  ? 124.81  21.288 -4.143  1 56.786  ? 72  A 1 c
ATOM 780  H HD21 . LEU Axp A 51  ? 126.959 22.92  -1.646  1 56.009  ? 72  A 1 c
ATOM 781  H HD22 . LEU Axp A 51  ? 126.855 21.545 -2.43   1 56.009  ? 72  A 1 c
ATOM 782  H HD23 . LEU Axp A 51  ? 125.945 21.803 -1.156  1 56.009  ? 72  A 1 c
ATOM 783  N N    . LEU Axp A 52  ? 124.027 25.966 -4.392  1 49.231  ? 73  A 1 .
ATOM 784  C CA   . LEU Axp A 52  ? 122.986 26.821 -3.853  1 54.131  ? 73  A 1 .
ATOM 785  C C    . LEU Axp A 52  ? 121.754 26.823 -4.756  1 60.783  ? 73  A 1 .
ATOM 786  O O    . LEU Axp A 52  ? 120.63  27.023 -4.292  1 60.033  ? 73  A 1 .
ATOM 787  C CB   . LEU Axp A 52  ? 123.473 28.249 -3.641  1 50.557  ? 73  A 1 .
ATOM 788  C CG   . LEU Axp A 52  ? 122.394 29.212 -3.136  1 49.758  ? 73  A 1 .
ATOM 789  C CD1  . LEU Axp A 52  ? 121.928 28.743 -1.768  1 52.507  ? 73  A 1 .
ATOM 790  C CD2  . LEU Axp A 52  ? 122.863 30.641 -3.092  1 53.724  ? 73  A 1 .
ATOM 791  H H    . LEU Axp A 52  ? 124.865 26.31  -4.51   1 51.359  ? 73  A 1 c
ATOM 792  H HA   . LEU Axp A 52  ? 122.718 26.444 -2.977  1 53.594  ? 73  A 1 c
ATOM 793  H HB3  . LEU Axp A 52  ? 123.822 28.588 -4.497  1 51.169  ? 73  A 1 c
ATOM 794  H HB2  . LEU Axp A 52  ? 124.211 28.232 -2.989  1 51.172  ? 73  A 1 c
ATOM 795  H HG   . LEU Axp A 52  ? 121.623 29.171 -3.756  1 51.24   ? 73  A 1 c
ATOM 796  H HD11 . LEU Axp A 52  ? 121.329 27.984 -1.87   1 51.777  ? 73  A 1 c
ATOM 797  H HD12 . LEU Axp A 52  ? 121.459 29.466 -1.319  1 51.741  ? 73  A 1 c
ATOM 798  H HD13 . LEU Axp A 52  ? 122.696 28.478 -1.236  1 51.819  ? 73  A 1 c
ATOM 799  H HD21 . LEU Axp A 52  ? 123.166 30.912 -3.975  1 52.509  ? 73  A 1 c
ATOM 800  H HD22 . LEU Axp A 52  ? 123.597 30.723 -2.459  1 52.509  ? 73  A 1 c
ATOM 801  H HD23 . LEU Axp A 52  ? 122.13  31.215 -2.812  1 52.505  ? 73  A 1 c
ATOM 802  N N    . THR Axp A 53  ? 121.967 26.659 -6.062  1 61.306  ? 74  A 1 .
ATOM 803  C CA   . THR Axp A 53  ? 120.854 26.704 -6.987  1 56.602  ? 74  A 1 .
ATOM 804  C C    . THR Axp A 53  ? 120.163 25.356 -6.995  1 56.13   ? 74  A 1 .
ATOM 805  O O    . THR Axp A 53  ? 118.947 25.313 -6.967  1 64.149  ? 74  A 1 .
ATOM 806  C CB   . THR Axp A 53  ? 121.346 27.014 -8.387  1 56.895  ? 74  A 1 .
ATOM 807  O OG1  . THR Axp A 53  ? 122.051 28.231 -8.223  1 66.31   ? 74  A 1 .
ATOM 808  C CG2  . THR Axp A 53  ? 120.199 27.139 -9.366  1 54.429  ? 74  A 1 .
ATOM 809  H H    . THR Axp A 53  ? 122.813 26.543 -6.385  1 59.857  ? 74  A 1 c
ATOM 810  H HA   . THR Axp A 53  ? 120.22  27.399 -6.703  1 57.508  ? 74  A 1 c
ATOM 811  H HB   . THR Axp A 53  ? 121.967 26.31  -8.69   1 58.009  ? 74  A 1 c
ATOM 812  H HG1  . THR Axp A 53  ? 121.579 28.962 -7.968  0 44.23   ? 74  A 1 c
ATOM 813  H HG21 . THR Axp A 53  ? 120.443 27.758 -10.075 1 55.157  ? 74  A 1 c
ATOM 814  H HG22 . THR Axp A 53  ? 119.41  27.471 -8.905  1 55.178  ? 74  A 1 c
ATOM 815  H HG23 . THR Axp A 53  ? 120.004 26.268 -9.752  1 55.16   ? 74  A 1 c
ATOM 816  N N    . LEU Axp A 54  ? 120.945 24.285 -7.145  1 51.984  ? 75  A 1 .
ATOM 817  C CA   . LEU Axp A 54  ? 120.369 22.959 -7.129  1 56.502  ? 75  A 1 .
ATOM 818  C C    . LEU Axp A 54  ? 119.396 22.926 -5.961  1 57.093  ? 75  A 1 .
ATOM 819  O O    . LEU Axp A 54  ? 118.221 22.618 -6.11   1 49.176  ? 75  A 1 .
ATOM 820  C CB   . LEU Axp A 54  ? 121.434 21.874 -6.952  1 65.392  ? 75  A 1 .
ATOM 821  C CG   . LEU Axp A 54  ? 122.348 21.551 -8.137  1 62.195  ? 75  A 1 .
ATOM 822  C CD1  . LEU Axp A 54  ? 123.3   20.47  -7.696  1 60.74   ? 75  A 1 .
ATOM 823  C CD2  . LEU Axp A 54  ? 121.621 21.101 -9.381  1 61.924  ? 75  A 1 .
ATOM 824  H H    . LEU Axp A 54  ? 121.846 24.382 -7.264  1 54.078  ? 75  A 1 c
ATOM 825  H HA   . LEU Axp A 54  ? 119.874 22.812 -7.973  1 57.232  ? 75  A 1 c
ATOM 826  H HB3  . LEU Axp A 54  ? 120.975 21.043 -6.687  1 62.456  ? 75  A 1 c
ATOM 827  H HB2  . LEU Axp A 54  ? 122.002 22.13  -6.19   1 62.417  ? 75  A 1 c
ATOM 828  H HG   . LEU Axp A 54  ? 122.875 22.362 -8.357  1 62.346  ? 75  A 1 c
ATOM 829  H HD11 . LEU Axp A 54  ? 123.878 20.813 -6.994  1 61.212  ? 75  A 1 c
ATOM 830  H HD12 . LEU Axp A 54  ? 123.841 20.185 -8.45   1 61.321  ? 75  A 1 c
ATOM 831  H HD13 . LEU Axp A 54  ? 122.795 19.712 -7.356  1 61.236  ? 75  A 1 c
ATOM 832  H HD21 . LEU Axp A 54  ? 120.933 21.746 -9.61   1 62.063  ? 75  A 1 c
ATOM 833  H HD22 . LEU Axp A 54  ? 121.211 20.235 -9.222  1 62.033  ? 75  A 1 c
ATOM 834  H HD23 . LEU Axp A 54  ? 122.252 21.03  -10.116 1 62.131  ? 75  A 1 c
ATOM 835  N N    . LEU Axp A 55  ? 119.927 23.29  -4.796  1 63.677  ? 76  A 1 .
ATOM 836  C CA   . LEU Axp A 55  ? 119.176 23.251 -3.561  1 66.036  ? 76  A 1 .
ATOM 837  C C    . LEU Axp A 55  ? 117.928 24.126 -3.676  1 68.702  ? 76  A 1 .
ATOM 838  O O    . LEU Axp A 55  ? 116.82  23.672 -3.418  1 69.669  ? 76  A 1 .
ATOM 839  C CB   . LEU Axp A 55  ? 120.124 23.713 -2.465  1 68.158  ? 76  A 1 .
ATOM 840  C CG   . LEU Axp A 55  ? 119.945 23.018 -1.121  1 76.928  ? 76  A 1 .
ATOM 841  C CD1  . LEU Axp A 55  ? 120.58  23.903 -0.078  1 84.877  ? 76  A 1 .
ATOM 842  C CD2  . LEU Axp A 55  ? 118.489 22.749 -0.789  1 77.838  ? 76  A 1 .
ATOM 843  H H    . LEU Axp A 55  ? 120.796 23.574 -4.773  1 62.519  ? 76  A 1 c
ATOM 844  H HA   . LEU Axp A 55  ? 118.902 22.315 -3.393  1 66.598  ? 76  A 1 c
ATOM 845  H HB3  . LEU Axp A 55  ? 120.001 24.682 -2.337  1 69.69   ? 76  A 1 c
ATOM 846  H HB2  . LEU Axp A 55  ? 121.049 23.563 -2.767  1 69.349  ? 76  A 1 c
ATOM 847  H HG   . LEU Axp A 55  ? 120.432 22.154 -1.144  1 76.788  ? 76  A 1 c
ATOM 848  H HD11 . LEU Axp A 55  ? 121.481 24.139 -0.356  1 82.313  ? 76  A 1 c
ATOM 849  H HD12 . LEU Axp A 55  ? 120.618 23.429 0.77    1 82.384  ? 76  A 1 c
ATOM 850  H HD13 . LEU Axp A 55  ? 120.052 24.712 0.028   1 82.311  ? 76  A 1 c
ATOM 851  H HD21 . LEU Axp A 55  ? 118.165 22.002 -1.319  1 77.387  ? 76  A 1 c
ATOM 852  H HD22 . LEU Axp A 55  ? 117.959 23.54  -0.984  1 77.391  ? 76  A 1 c
ATOM 853  H HD23 . LEU Axp A 55  ? 118.407 22.533 0.155   1 77.536  ? 76  A 1 c
ATOM 854  N N    . ASP Axp A 56  ? 118.101 25.374 -4.115  1 74.516  ? 77  A 1 .
ATOM 855  C CA   . ASP Axp A 56  ? 116.967 26.261 -4.337  1 77.327  ? 77  A 1 .
ATOM 856  C C    . ASP Axp A 56  ? 115.941 25.656 -5.309  1 78.979  ? 77  A 1 .
ATOM 857  O O    . ASP Axp A 56  ? 114.743 25.877 -5.159  1 75.699  ? 77  A 1 .
ATOM 858  C CB   . ASP Axp A 56  ? 117.423 27.617 -4.845  1 77.744  ? 77  A 1 .
ATOM 859  C CG   . ASP Axp A 56  ? 116.309 28.641 -4.969  1 79.036  ? 77  A 1 .
ATOM 860  O OD1  . ASP Axp A 56  ? 115.414 28.436 -5.804  1 94.879  ? 77  A 1 .
ATOM 861  O OD2  . ASP Axp A 56  ? 116.334 29.627 -4.223  1 90.649  ? 77  A 1 .
ATOM 862  H H    . ASP Axp A 56  ? 118.945 25.684 -4.278  1 73.601  ? 77  A 1 c
ATOM 863  H HA   . ASP Axp A 56  ? 116.522 26.407 -3.472  1 76.91   ? 77  A 1 c
ATOM 864  H HB3  . ASP Axp A 56  ? 117.836 27.503 -5.726  1 77.937  ? 77  A 1 c
ATOM 865  H HB2  . ASP Axp A 56  ? 118.102 27.972 -4.234  1 77.913  ? 77  A 1 c
ATOM 866  N N    . ARG Axp A 57  ? 116.399 24.899 -6.316  1 76.795  ? 78  A 1 .
ATOM 867  C CA   . ARG Axp A 57  ? 115.512 24.26  -7.276  1 68.886  ? 78  A 1 .
ATOM 868  C C    . ARG Axp A 57  ? 114.727 23.116 -6.613  1 65.66   ? 78  A 1 .
ATOM 869  O O    . ARG Axp A 57  ? 113.554 22.88  -6.907  1 66.398  ? 78  A 1 .
ATOM 870  C CB   . ARG Axp A 57  ? 116.318 23.771 -8.492  1 73.817  ? 78  A 1 .
ATOM 871  C CG   . ARG Axp A 57  ? 116.996 24.763 -9.439  1 85.722  ? 78  A 1 .
ATOM 872  C CD   . ARG Axp A 57  ? 116.144 25.965 -9.888  1 101.81  ? 78  A 1 .
ATOM 873  N NE   . ARG Axp A 57  ? 116.574 26.759 -11.054 1 99.675  ? 78  A 1 .
ATOM 874  C CZ   . ARG Axp A 57  ? 116.55  26.373 -12.333 1 99.437  ? 78  A 1 .
ATOM 875  N NH1  . ARG Axp A 57  ? 116.25  25.124 -12.644 1 100.315 ? 78  A 1 .
ATOM 876  N NH2  . ARG Axp A 57  ? 116.841 27.228 -13.299 1 95.263  ? 78  A 1 .
ATOM 877  H H    . ARG Axp A 57  ? 117.301 24.789 -6.414  1 75.279  ? 78  A 1 c
ATOM 878  H HA   . ARG Axp A 57  ? 114.862 24.938 -7.592  1 70.822  ? 78  A 1 c
ATOM 879  H HB3  . ARG Axp A 57  ? 115.711 23.221 -9.032  1 75.103  ? 78  A 1 c
ATOM 880  H HB2  . ARG Axp A 57  ? 117.012 23.168 -8.153  1 74.987  ? 78  A 1 c
ATOM 881  H HG3  . ARG Axp A 57  ? 117.288 24.275 -10.24  1 86.101  ? 78  A 1 c
ATOM 882  H HG2  . ARG Axp A 57  ? 117.807 25.103 -9.007  1 85.968  ? 78  A 1 c
ATOM 883  H HD3  . ARG Axp A 57  ? 116.071 26.566 -9.118  1 97.418  ? 78  A 1 c
ATOM 884  H HD2  . ARG Axp A 57  ? 115.243 25.626 -10.064 1 97.418  ? 78  A 1 c
ATOM 885  H HE   . ARG Axp A 57  ? 116.876 27.561 -10.898 1 100.044 ? 78  A 1 c
ATOM 886  H HH11 . ARG Axp A 57  ? 115.448 24.804 -12.452 1 100.054 ? 78  A 1 c
ATOM 887  H HH12 . ARG Axp A 57  ? 116.852 24.614 -13.042 1 100.046 ? 78  A 1 c
ATOM 888  H HH21 . ARG Axp A 57  ? 117.516 27.79  -13.199 1 96.556  ? 78  A 1 c
ATOM 889  H HH22 . ARG Axp A 57  ? 116.36  27.234 -14.041 1 96.535  ? 78  A 1 c
ATOM 890  N N    . VAL Axp A 58  ? 115.369 22.368 -5.719  1 58.24   ? 79  A 1 .
ATOM 891  C CA   . VAL Axp A 58  ? 114.681 21.283 -5.047  1 54.917  ? 79  A 1 .
ATOM 892  C C    . VAL Axp A 58  ? 113.588 21.885 -4.172  1 61.173  ? 79  A 1 .
ATOM 893  O O    . VAL Axp A 58  ? 112.4   21.639 -4.362  1 67.426  ? 79  A 1 .
ATOM 894  C CB   . VAL Axp A 58  ? 115.633 20.441 -4.18   1 50.904  ? 79  A 1 .
ATOM 895  C CG1  . VAL Axp A 58  ? 114.883 19.304 -3.491  1 44.092  ? 79  A 1 .
ATOM 896  C CG2  . VAL Axp A 58  ? 116.858 19.949 -4.95   1 49.918  ? 79  A 1 .
ATOM 897  H H    . VAL Axp A 58  ? 116.246 22.534 -5.522  1 59.192  ? 79  A 1 c
ATOM 898  H HA   . VAL Axp A 58  ? 114.269 20.706 -5.719  1 55.985  ? 79  A 1 c
ATOM 899  H HB   . VAL Axp A 58  ? 115.97  21.032 -3.468  1 50.299  ? 79  A 1 c
ATOM 900  H HG11 . VAL Axp A 58  ? 114.279 18.882 -4.125  1 46.036  ? 79  A 1 c
ATOM 901  H HG12 . VAL Axp A 58  ? 114.371 19.657 -2.743  1 46.125  ? 79  A 1 c
ATOM 902  H HG13 . VAL Axp A 58  ? 115.518 18.646 -3.162  1 46.076  ? 79  A 1 c
ATOM 903  H HG21 . VAL Axp A 58  ? 116.995 19.002 -4.777  1 50.146  ? 79  A 1 c
ATOM 904  H HG22 . VAL Axp A 58  ? 117.642 20.445 -4.662  1 50.198  ? 79  A 1 c
ATOM 905  H HG23 . VAL Axp A 58  ? 116.722 20.085 -5.902  1 50.255  ? 79  A 1 c
ATOM 906  N N    . VAL Axp A 59  ? 114.03  22.673 -3.19   1 66.27   ? 80  A 1 .
ATOM 907  C CA   . VAL Axp A 59  ? 113.151 23.281 -2.205  1 69.975  ? 80  A 1 .
ATOM 908  C C    . VAL Axp A 59  ? 111.894 23.803 -2.9    1 69.362  ? 80  A 1 .
ATOM 909  O O    . VAL Axp A 59  ? 110.798 23.369 -2.6    1 63.655  ? 80  A 1 .
ATOM 910  C CB   . VAL Axp A 59  ? 113.886 24.409 -1.453  1 68.928  ? 80  A 1 .
ATOM 911  C CG1  . VAL Axp A 59  ? 112.928 25.283 -0.662  1 67.857  ? 80  A 1 .
ATOM 912  C CG2  . VAL Axp A 59  ? 114.982 23.874 -0.55   1 67.89   ? 80  A 1 .
ATOM 913  H H    . VAL Axp A 59  ? 114.923 22.86  -3.146  1 65.486  ? 80  A 1 c
ATOM 914  H HA   . VAL Axp A 59  ? 112.889 22.596 -1.56   1 68.902  ? 80  A 1 c
ATOM 915  H HB   . VAL Axp A 59  ? 114.315 24.978 -2.135  1 68.705  ? 80  A 1 c
ATOM 916  H HG11 . VAL Axp A 59  ? 112.228 24.733 -0.272  1 68.105  ? 80  A 1 c
ATOM 917  H HG12 . VAL Axp A 59  ? 112.53  25.943 -1.253  1 68.141  ? 80  A 1 c
ATOM 918  H HG13 . VAL Axp A 59  ? 113.414 25.737 0.046   1 68.133  ? 80  A 1 c
ATOM 919  H HG21 . VAL Axp A 59  ? 115.608 24.588 -0.342  1 68.127  ? 80  A 1 c
ATOM 920  H HG22 . VAL Axp A 59  ? 115.453 23.151 -0.998  1 68.103  ? 80  A 1 c
ATOM 921  H HG23 . VAL Axp A 59  ? 114.588 23.542 0.272   1 67.933  ? 80  A 1 c
ATOM 922  N N    . ASN Axp A 60  ? 112.08  24.712 -3.857  1 66.364  ? 81  A 1 .
ATOM 923  C CA   . ASN Axp A 60  ? 110.981 25.338 -4.569  1 62.051  ? 81  A 1 .
ATOM 924  C C    . ASN Axp A 60  ? 110.084 24.303 -5.249  1 60.483  ? 81  A 1 .
ATOM 925  O O    . ASN Axp A 60  ? 108.87  24.492 -5.289  1 50.192  ? 81  A 1 .
ATOM 926  C CB   . ASN Axp A 60  ? 111.517 26.374 -5.548  1 62.386  ? 81  A 1 .
ATOM 927  C CG   . ASN Axp A 60  ? 111.678 27.715 -4.882  1 60.39   ? 81  A 1 .
ATOM 928  O OD1  . ASN Axp A 60  ? 110.675 28.339 -4.533  1 63.035  ? 81  A 1 .
ATOM 929  N ND2  . ASN Axp A 60  ? 112.901 28.182 -4.7    1 62.851  ? 81  A 1 .
ATOM 930  H H    . ASN Axp A 60  ? 112.935 24.953 -4.075  1 66.052  ? 81  A 1 c
ATOM 931  H HA   . ASN Axp A 60  ? 110.433 25.818 -3.907  1 62.622  ? 81  A 1 c
ATOM 932  H HB3  . ASN Axp A 60  ? 110.897 26.461 -6.299  1 61.863  ? 81  A 1 c
ATOM 933  H HB2  . ASN Axp A 60  ? 112.379 26.078 -5.899  1 61.98   ? 81  A 1 c
ATOM 934  H HD21 . ASN Axp A 60  ? 113.062 29.049 -4.795  1 62.083  ? 81  A 1 c
ATOM 935  H HD22 . ASN Axp A 60  ? 113.559 27.627 -4.484  1 62.083  ? 81  A 1 c
ATOM 936  N N    . GLN Axp A 61  ? 110.677 23.224 -5.785  1 68.043  ? 82  A 1 .
ATOM 937  C CA   . GLN Axp A 61  ? 109.905 22.138 -6.382  1 69.556  ? 82  A 1 .
ATOM 938  C C    . GLN Axp A 61  ? 108.843 21.708 -5.378  1 73.334  ? 82  A 1 .
ATOM 939  O O    . GLN Axp A 61  ? 107.654 21.904 -5.621  1 71.517  ? 82  A 1 .
ATOM 940  C CB   . GLN Axp A 61  ? 110.756 20.939 -6.809  1 61.732  ? 82  A 1 .
ATOM 941  C CG   . GLN Axp A 61  ? 109.977 19.765 -7.394  1 56.566  ? 82  A 1 .
ATOM 942  C CD   . GLN Axp A 61  ? 110.889 18.634 -7.836  1 60.736  ? 82  A 1 .
ATOM 943  O OE1  . GLN Axp A 61  ? 111.787 18.805 -8.664  1 75.938  ? 82  A 1 .
ATOM 944  N NE2  . GLN Axp A 61  ? 110.698 17.439 -7.303  1 63.047  ? 82  A 1 .
ATOM 945  H H    . GLN Axp A 61  ? 111.589 23.167 -5.789  1 66.392  ? 82  A 1 c
ATOM 946  H HA   . GLN Axp A 61  ? 109.447 22.494 -7.185  1 68.442  ? 82  A 1 c
ATOM 947  H HB3  . GLN Axp A 61  ? 111.259 20.622 -6.034  1 62.338  ? 82  A 1 c
ATOM 948  H HB2  . GLN Axp A 61  ? 111.406 21.246 -7.475  1 62.212  ? 82  A 1 c
ATOM 949  H HG3  . GLN Axp A 61  ? 109.454 20.073 -8.164  1 58.664  ? 82  A 1 c
ATOM 950  H HG2  . GLN Axp A 61  ? 109.35  19.422 -6.722  1 58.757  ? 82  A 1 c
ATOM 951  H HE21 . GLN Axp A 61  ? 111.394 16.95  -7.051  1 62.32   ? 82  A 1 c
ATOM 952  H HE22 . GLN Axp A 61  ? 109.874 17.129 -7.197  1 62.297  ? 82  A 1 c
ATOM 953  N N    . ALA Axp A 62  ? 109.306 21.212 -4.224  1 73.401  ? 83  A 1 .
ATOM 954  C CA   . ALA Axp A 62  ? 108.438 20.748 -3.149  1 77.113  ? 83  A 1 .
ATOM 955  C C    . ALA Axp A 62  ? 107.388 21.788 -2.739  1 71.817  ? 83  A 1 .
ATOM 956  O O    . ALA Axp A 62  ? 106.256 21.433 -2.444  1 67.204  ? 83  A 1 .
ATOM 957  C CB   . ALA Axp A 62  ? 109.28  20.338 -1.965  1 76.206  ? 83  A 1 .
ATOM 958  H H    . ALA Axp A 62  ? 110.21  21.166 -4.098  1 73.987  ? 83  A 1 c
ATOM 959  H HA   . ALA Axp A 62  ? 107.951 19.944 -3.483  1 75.225  ? 83  A 1 c
ATOM 960  H HB3  . ALA Axp A 62  ? 108.71  20.208 -1.188  1 76.382  ? 83  A 1 c
ATOM 961  H HB2  . ALA Axp A 62  ? 109.933 21.031 -1.771  1 76.33   ? 83  A 1 c
ATOM 962  H HB1  . ALA Axp A 62  ? 109.742 19.508 -2.164  1 76.27   ? 83  A 1 c
ATOM 963  N N    . ASP Axp A 63  ? 107.752 23.072 -2.698  1 70.966  ? 84  A 1 .
ATOM 964  C CA   . ASP Axp A 63  ? 106.827 24.09  -2.244  1 64.442  ? 84  A 1 .
ATOM 965  C C    . ASP Axp A 63  ? 105.659 24.191 -3.218  1 71.748  ? 84  A 1 .
ATOM 966  O O    . ASP Axp A 63  ? 104.505 24.204 -2.794  1 80.679  ? 84  A 1 .
ATOM 967  C CB   . ASP Axp A 63  ? 107.491 25.443 -2.09   1 60.981  ? 84  A 1 .
ATOM 968  C CG   . ASP Axp A 63  ? 106.601 26.486 -1.432  1 62.361  ? 84  A 1 .
ATOM 969  O OD1  . ASP Axp A 63  ? 106.519 26.476 -0.184  1 59.147  ? 84  A 1 .
ATOM 970  O OD2  . ASP Axp A 63  ? 105.955 27.258 -2.179  1 64.366  ? 84  A 1 .
ATOM 971  H H    . ASP Axp A 63  ? 108.596 23.317 -2.95   1 69.612  ? 84  A 1 c
ATOM 972  H HA   . ASP Axp A 63  ? 106.479 23.822 -1.363  1 66.386  ? 84  A 1 c
ATOM 973  H HB3  . ASP Axp A 63  ? 107.756 25.773 -2.974  1 62.137  ? 84  A 1 c
ATOM 974  H HB2  . ASP Axp A 63  ? 108.3   25.339 -1.547  1 62.108  ? 84  A 1 c
ATOM 975  N N    . MET Axp A 64  ? 105.966 24.293 -4.516  1 70.641  ? 85  A 1 .
ATOM 976  C CA   . MET Axp A 64  ? 104.916 24.397 -5.516  1 74.274  ? 85  A 1 .
ATOM 977  C C    . MET Axp A 64  ? 104.046 23.141 -5.427  1 77.435  ? 85  A 1 .
ATOM 978  O O    . MET Axp A 64  ? 102.814 23.225 -5.438  1 75.956  ? 85  A 1 .
ATOM 979  C CB   . MET Axp A 64  ? 105.493 24.586 -6.924  1 75.53   ? 85  A 1 .
ATOM 980  C CG   . MET Axp A 64  ? 106.285 25.863 -7.083  1 83.084  ? 85  A 1 .
ATOM 981  S SD   . MET Axp A 64  ? 107.175 25.952 -8.65   1 94.228  ? 85  A 1 .
ATOM 982  C CE   . MET Axp A 64  ? 105.922 26.614 -9.759  1 90.996  ? 85  A 1 .
ATOM 983  H H    . MET Axp A 64  ? 106.84  24.294 -4.782  1 71.817  ? 85  A 1 c
ATOM 984  H HA   . MET Axp A 64  ? 104.358 25.181 -5.291  1 74.61   ? 85  A 1 c
ATOM 985  H HB3  . MET Axp A 64  ? 104.754 24.585 -7.569  1 76.91   ? 85  A 1 c
ATOM 986  H HB2  . MET Axp A 64  ? 106.073 23.822 -7.131  1 76.91   ? 85  A 1 c
ATOM 987  H HG3  . MET Axp A 64  ? 106.93  25.939 -6.353  1 82.769  ? 85  A 1 c
ATOM 988  H HG2  . MET Axp A 64  ? 105.678 26.628 -7.024  1 83.085  ? 85  A 1 c
ATOM 989  H HE3  . MET Axp A 64  ? 105.647 27.497 -9.448  1 91.791  ? 85  A 1 c
ATOM 990  H HE2  . MET Axp A 64  ? 105.15  26.019 -9.77   1 91.791  ? 85  A 1 c
ATOM 991  H HE1  . MET Axp A 64  ? 106.29  26.686 -10.659 1 91.791  ? 85  A 1 c
ATOM 992  N N    . ALA Axp A 65  ? 104.71  21.978 -5.324  1 74.428  ? 86  A 1 .
ATOM 993  C CA   . ALA Axp A 65  ? 104.035 20.694 -5.238  1 71.435  ? 86  A 1 .
ATOM 994  C C    . ALA Axp A 65  ? 102.984 20.743 -4.146  1 66.88   ? 86  A 1 .
ATOM 995  O O    . ALA Axp A 65  ? 101.831 20.425 -4.38   1 67.062  ? 86  A 1 .
ATOM 996  C CB   . ALA Axp A 65  ? 105.017 19.594 -4.958  1 71.192  ? 86  A 1 .
ATOM 997  H H    . ALA Axp A 65  ? 105.624 21.99  -5.317  1 74.361  ? 86  A 1 c
ATOM 998  H HA   . ALA Axp A 65  ? 103.579 20.518 -6.107  1 71.071  ? 86  A 1 c
ATOM 999  H HB3  . ALA Axp A 65  ? 104.542 18.794 -4.676  1 70.859  ? 86  A 1 c
ATOM 1000 H HB2  . ALA Axp A 65  ? 105.629 19.87  -4.257  1 70.961  ? 86  A 1 c
ATOM 1001 H HB1  . ALA Axp A 65  ? 105.524 19.397 -5.764  1 71.129  ? 86  A 1 c
ATOM 1002 N N    . LEU Axp A 66  ? 103.43  21.139 -2.959  1 69.497  ? 87  A 1 .
ATOM 1003 C CA   . LEU Axp A 66  ? 102.567 21.264 -1.807  1 66.907  ? 87  A 1 .
ATOM 1004 C C    . LEU Axp A 66  ? 101.525 22.318 -2.12   1 74.138  ? 87  A 1 .
ATOM 1005 O O    . LEU Axp A 66  ? 100.339 22.072 -1.979  1 80.953  ? 87  A 1 .
ATOM 1006 C CB   . LEU Axp A 66  ? 103.415 21.664 -0.607  1 65.759  ? 87  A 1 .
ATOM 1007 C CG   . LEU Axp A 66  ? 102.639 22.114 0.63    1 67.76   ? 87  A 1 .
ATOM 1008 C CD1  . LEU Axp A 66  ? 101.691 20.997 1.01    1 77.226  ? 87  A 1 .
ATOM 1009 C CD2  . LEU Axp A 66  ? 103.569 22.48  1.777   1 61.184  ? 87  A 1 .
ATOM 1010 H H    . LEU Axp A 66  ? 104.317 21.337 -2.863  1 68.316  ? 87  A 1 c
ATOM 1011 H HA   . LEU Axp A 66  ? 102.125 20.393 -1.637  1 68.505  ? 87  A 1 c
ATOM 1012 H HB3  . LEU Axp A 66  ? 104.012 22.397 -0.882  1 66.699  ? 87  A 1 c
ATOM 1013 H HB2  . LEU Axp A 66  ? 103.979 20.895 -0.359  1 66.562  ? 87  A 1 c
ATOM 1014 H HG   . LEU Axp A 66  ? 102.104 22.915 0.394   1 67.787  ? 87  A 1 c
ATOM 1015 H HD11 . LEU Axp A 66  ? 100.899 21.035 0.448   1 74.237  ? 87  A 1 c
ATOM 1016 H HD12 . LEU Axp A 66  ? 101.429 21.096 1.942   1 74.174  ? 87  A 1 c
ATOM 1017 H HD13 . LEU Axp A 66  ? 102.131 20.138 0.889   1 74.156  ? 87  A 1 c
ATOM 1018 H HD21 . LEU Axp A 66  ? 104.159 23.201 1.5     1 63.048  ? 87  A 1 c
ATOM 1019 H HD22 . LEU Axp A 66  ? 104.1   21.705 2.025   1 63.027  ? 87  A 1 c
ATOM 1020 H HD23 . LEU Axp A 66  ? 103.043 22.769 2.542   1 63.048  ? 87  A 1 c
ATOM 1021 N N    . GLN Axp A 67  ? 101.997 23.484 -2.561  1 89.717  ? 88  A 1 .
ATOM 1022 C CA   . GLN Axp A 67  ? 101.122 24.574 -2.964  1 105.524 ? 88  A 1 .
ATOM 1023 C C    . GLN Axp A 67  ? 99.987  24.033 -3.838  1 99.187  ? 88  A 1 .
ATOM 1024 O O    . GLN Axp A 67  ? 98.851  24.48  -3.709  1 89.608  ? 88  A 1 .
ATOM 1025 C CB   . GLN Axp A 67  ? 102.004 25.647 -3.61   1 114.822 ? 88  A 1 .
ATOM 1026 C CG   . GLN Axp A 67  ? 101.277 26.769 -4.345  1 113.843 ? 88  A 1 .
ATOM 1027 C CD   . GLN Axp A 67  ? 102.243 27.798 -4.893  1 113.103 ? 88  A 1 .
ATOM 1028 O OE1  . GLN Axp A 67  ? 103.415 27.837 -4.505  1 126.946 ? 88  A 1 .
ATOM 1029 N NE2  . GLN Axp A 67  ? 101.773 28.645 -5.796  1 111.035 ? 88  A 1 .
ATOM 1030 H H    . GLN Axp A 67  ? 102.901 23.61  -2.604  1 88.497  ? 88  A 1 c
ATOM 1031 H HA   . GLN Axp A 67  ? 100.721 24.962 -2.145  1 102.653 ? 88  A 1 c
ATOM 1032 H HB3  . GLN Axp A 67  ? 102.604 25.209 -4.239  1 110.756 ? 88  A 1 c
ATOM 1033 H HB2  . GLN Axp A 67  ? 102.559 26.045 -2.907  1 111.977 ? 88  A 1 c
ATOM 1034 H HG3  . GLN Axp A 67  ? 100.651 27.21  -3.732  1 113.876 ? 88  A 1 c
ATOM 1035 H HG2  . GLN Axp A 67  ? 100.758 26.392 -5.087  1 113.803 ? 88  A 1 c
ATOM 1036 H HE21 . GLN Axp A 67  ? 102.286 29.306 -6.093  1 111.784 ? 88  A 1 c
ATOM 1037 H HE22 . GLN Axp A 67  ? 100.946 28.553 -6.104  1 111.725 ? 88  A 1 c
ATOM 1038 N N    . THR Axp A 68  ? 100.302 23.032 -4.678  1 95.777  ? 89  A 1 .
ATOM 1039 C CA   . THR Axp A 68  ? 99.378  22.458 -5.654  1 94.124  ? 89  A 1 .
ATOM 1040 C C    . THR Axp A 68  ? 98.484  21.382 -5.029  1 87.193  ? 89  A 1 .
ATOM 1041 O O    . THR Axp A 68  ? 98.234  20.348 -5.651  1 70.161  ? 89  A 1 .
ATOM 1042 C CB   . THR Axp A 68  ? 100.221 21.872 -6.79   1 96.39   ? 89  A 1 .
ATOM 1043 O OG1  . THR Axp A 68  ? 100.959 22.948 -7.354  1 88.005  ? 89  A 1 .
ATOM 1044 C CG2  . THR Axp A 68  ? 99.421  21.242 -7.913  1 95.96   ? 89  A 1 .
ATOM 1045 H H    . THR Axp A 68  ? 101.155 22.706 -4.659  1 95.833  ? 89  A 1 c
ATOM 1046 H HA   . THR Axp A 68  ? 98.814  23.176 -6.014  1 93.55   ? 89  A 1 c
ATOM 1047 H HB   . THR Axp A 68  ? 100.848 21.2   -6.432  1 94.017  ? 89  A 1 c
ATOM 1048 H HG1  . THR Axp A 68  ? 100.468 23.51  -7.638  0 60      ? 89  A 1 c
ATOM 1049 H HG21 . THR Axp A 68  ? 99.826  21.47  -8.767  1 95.926  ? 89  A 1 c
ATOM 1050 H HG22 . THR Axp A 68  ? 98.508  21.574 -7.891  1 95.794  ? 89  A 1 c
ATOM 1051 H HG23 . THR Axp A 68  ? 99.417  20.275 -7.808  1 95.822  ? 89  A 1 c
ATOM 1052 N N    . LEU Axp A 69  ? 98.091  21.586 -3.768  1 81.689  ? 90  A 1 .
ATOM 1053 C CA   . LEU Axp A 69  ? 97.114  20.746 -3.105  1 75.053  ? 90  A 1 .
ATOM 1054 C C    . LEU Axp A 69  ? 96.022  21.65  -2.546  1 94.469  ? 90  A 1 .
ATOM 1055 O O    . LEU Axp A 69  ? 94.925  21.164 -2.29   1 132.403 ? 90  A 1 .
ATOM 1056 C CB   . LEU Axp A 69  ? 97.689  19.868 -1.995  1 64.42   ? 90  A 1 .
ATOM 1057 C CG   . LEU Axp A 69  ? 98.866  18.951 -2.351  1 66.171  ? 90  A 1 .
ATOM 1058 C CD1  . LEU Axp A 69  ? 99.078  17.87  -1.302  1 63.514  ? 90  A 1 .
ATOM 1059 C CD2  . LEU Axp A 69  ? 98.74   18.322 -3.729  1 67.91   ? 90  A 1 .
ATOM 1060 H H    . LEU Axp A 69  ? 98.485  22.254 -3.288  1 82.127  ? 90  A 1 c
ATOM 1061 H HA   . LEU Axp A 69  ? 96.695  20.165 -3.787  1 77.327  ? 90  A 1 c
ATOM 1062 H HB3  . LEU Axp A 69  ? 96.959  19.308 -1.644  1 67.125  ? 90  A 1 c
ATOM 1063 H HB2  . LEU Axp A 69  ? 97.973  20.457 -1.259  1 67.242  ? 90  A 1 c
ATOM 1064 H HG   . LEU Axp A 69  ? 99.685  19.509 -2.361  1 65.729  ? 90  A 1 c
ATOM 1065 H HD11 . LEU Axp A 69  ? 99.105  18.276 -0.419  1 64.292  ? 90  A 1 c
ATOM 1066 H HD12 . LEU Axp A 69  ? 99.918  17.412 -1.473  1 64.308  ? 90  A 1 c
ATOM 1067 H HD13 . LEU Axp A 69  ? 98.347  17.231 -1.342  1 64.292  ? 90  A 1 c
ATOM 1068 H HD21 . LEU Axp A 69  ? 99.325  18.785 -4.35   1 67.513  ? 90  A 1 c
ATOM 1069 H HD22 . LEU Axp A 69  ? 97.822  18.383 -4.038  1 67.521  ? 90  A 1 c
ATOM 1070 H HD23 . LEU Axp A 69  ? 99      17.387 -3.683  1 67.396  ? 90  A 1 c
ATOM 1071 N N    . ALA Axp A 70  ? 96.317  22.948 -2.352  1 108.006 ? 91  A 1 .
ATOM 1072 C CA   . ALA Axp A 70  ? 95.328  23.903 -1.874  1 113.542 ? 91  A 1 .
ATOM 1073 C C    . ALA Axp A 70  ? 94.245  24.077 -2.936  1 128.209 ? 91  A 1 .
ATOM 1074 O O    . ALA Axp A 70  ? 93.049  24.063 -2.635  1 132.205 ? 91  A 1 .
ATOM 1075 C CB   . ALA Axp A 70  ? 95.986  25.224 -1.519  1 99.052  ? 91  A 1 .
ATOM 1076 H H    . ALA Axp A 70  ? 97.166  23.246 -2.509  1 105.007 ? 91  A 1 c
ATOM 1077 H HA   . ALA Axp A 70  ? 94.902  23.525 -1.056  1 112.135 ? 91  A 1 c
ATOM 1078 H HB3  . ALA Axp A 70  ? 95.321  25.836 -1.161  1 103.131 ? 91  A 1 c
ATOM 1079 H HB2  . ALA Axp A 70  ? 96.385  25.615 -2.315  1 103.131 ? 91  A 1 c
ATOM 1080 H HB1  . ALA Axp A 70  ? 96.678  25.076 -0.853  1 103.131 ? 91  A 1 c
ATOM 1081 N N    . GLU Axp A 71  ? 94.698  24.201 -4.191  1 145.215 ? 92  A 1 .
ATOM 1082 C CA   . GLU Axp A 71  ? 93.831  24.452 -5.33   1 156.234 ? 92  A 1 .
ATOM 1083 C C    . GLU Axp A 71  ? 93.249  23.158 -5.906  1 171.801 ? 92  A 1 .
ATOM 1084 O O    . GLU Axp A 71  ? 92.248  23.214 -6.616  1 195.794 ? 92  A 1 .
ATOM 1085 C CB   . GLU Axp A 71  ? 94.608  25.226 -6.396  1 145.599 ? 92  A 1 .
ATOM 1086 C CG   . GLU Axp A 71  ? 95.188  26.549 -5.894  1 139.764 ? 92  A 1 .
ATOM 1087 C CD   . GLU Axp A 71  ? 95.523  27.532 -7.002  1 132.266 ? 92  A 1 .
ATOM 1088 O OE1  . GLU Axp A 71  ? 94.564  28.094 -7.568  1 135.031 ? 92  A 1 .
ATOM 1089 O OE2  . GLU Axp A 71  ? 96.715  27.722 -7.322  1 118.501 ? 92  A 1 .
ATOM 1090 H H    . GLU Axp A 71  ? 95.597  24.132 -4.341  1 142.813 ? 92  A 1 c
ATOM 1091 H HA   . GLU Axp A 71  ? 93.08   25.022 -5.025  1 154.416 ? 92  A 1 c
ATOM 1092 H HB3  . GLU Axp A 71  ? 94.01   25.407 -7.151  1 146.504 ? 92  A 1 c
ATOM 1093 H HB2  . GLU Axp A 71  ? 95.34   24.663 -6.723  1 146.568 ? 92  A 1 c
ATOM 1094 H HG3  . GLU Axp A 71  ? 96.004  26.366 -5.382  1 139.288 ? 92  A 1 c
ATOM 1095 H HG2  . GLU Axp A 71  ? 94.543  26.971 -5.287  1 139.288 ? 92  A 1 c
ATOM 1096 N N    . ASN Axp A 72  ? 93.862  22     -5.618  1 167.098 ? 93  A 1 .
ATOM 1097 C CA   . ASN Axp A 72  ? 93.356  20.715 -6.09   1 147.888 ? 93  A 1 .
ATOM 1098 C C    . ASN Axp A 72  ? 92.843  19.882 -4.914  1 140.278 ? 93  A 1 .
ATOM 1099 O O    . ASN Axp A 72  ? 93.399  18.812 -4.676  1 118.723 ? 93  A 1 .
ATOM 1100 C CB   . ASN Axp A 72  ? 94.432  19.916 -6.823  1 136.464 ? 93  A 1 .
ATOM 1101 C CG   . ASN Axp A 72  ? 94.744  20.428 -8.213  1 137.732 ? 93  A 1 .
ATOM 1102 O OD1  . ASN Axp A 72  ? 95.498  21.387 -8.403  1 127.778 ? 93  A 1 .
ATOM 1103 N ND2  . ASN Axp A 72  ? 94.204  19.762 -9.219  1 136.276 ? 93  A 1 .
ATOM 1104 H H    . ASN Axp A 72  ? 94.624  22.009 -5.115  1 162.973 ? 93  A 1 c
ATOM 1105 H HA   . ASN Axp A 72  ? 92.616  20.873 -6.719  1 148.106 ? 93  A 1 c
ATOM 1106 H HB3  . ASN Axp A 72  ? 94.143  18.985 -6.893  1 139.088 ? 93  A 1 c
ATOM 1107 H HB2  . ASN Axp A 72  ? 95.253  19.933 -6.291  1 139.13  ? 93  A 1 c
ATOM 1108 H HD21 . ASN Axp A 72  ? 94.681  19.597 -9.948  1 136.723 ? 93  A 1 c
ATOM 1109 H HD22 . ASN Axp A 72  ? 93.364  19.482 -9.164  1 136.723 ? 93  A 1 c
ATOM 1110 N N    . PRO Axp A 73  ? 91.81   20.334 -4.148  1 142.599 ? 94  A 1 .
ATOM 1111 C CA   . PRO Axp A 73  ? 91.407  19.67  -2.905  1 149.365 ? 94  A 1 .
ATOM 1112 C C    . PRO Axp A 73  ? 90.945  18.209 -3.023  1 160.503 ? 94  A 1 .
ATOM 1113 O O    . PRO Axp A 73  ? 91.586  17.332 -2.45   1 166.528 ? 94  A 1 .
ATOM 1114 C CB   . PRO Axp A 73  ? 90.324  20.595 -2.342  1 137.004 ? 94  A 1 .
ATOM 1115 C CG   . PRO Axp A 73  ? 90.653  21.933 -2.968  1 128.349 ? 94  A 1 .
ATOM 1116 C CD   . PRO Axp A 73  ? 91.051  21.578 -4.358  1 124.725 ? 94  A 1 .
ATOM 1117 H HA   . PRO Axp A 73  ? 92.167  19.697 -2.287  1 147.715 ? 94  A 1 c
ATOM 1118 H HB3  . PRO Axp A 73  ? 90.375  20.641 -1.368  1 137.685 ? 94  A 1 c
ATOM 1119 H HB2  . PRO Axp A 73  ? 89.432  20.295 -2.604  1 137.933 ? 94  A 1 c
ATOM 1120 H HG3  . PRO Axp A 73  ? 91.387  22.37  -2.495  1 129.41  ? 94  A 1 c
ATOM 1121 H HG2  . PRO Axp A 73  ? 89.874  22.525 -2.968  1 129.392 ? 94  A 1 c
ATOM 1122 H HD3  . PRO Axp A 73  ? 90.272  21.421 -4.927  1 129.687 ? 94  A 1 c
ATOM 1123 H HD2  . PRO Axp A 73  ? 91.602  22.266 -4.746  1 130.48  ? 94  A 1 c
ATOM 1124 N N    . ALA Axp A 74  ? 89.826  17.942 -3.716  1 155.096 ? 95  A 1 .
ATOM 1125 C CA   . ALA Axp A 74  ? 89.233  16.603 -3.804  1 147.109 ? 95  A 1 .
ATOM 1126 C C    . ALA Axp A 74  ? 88.629  16.13  -2.468  1 159.269 ? 95  A 1 .
ATOM 1127 O O    . ALA Axp A 74  ? 88.76   16.798 -1.44   1 165.293 ? 95  A 1 .
ATOM 1128 C CB   . ALA Axp A 74  ? 90.261  15.612 -4.331  1 124.074 ? 95  A 1 .
ATOM 1129 H H    . ALA Axp A 74  ? 89.416  18.625 -4.163  1 154.246 ? 95  A 1 c
ATOM 1130 H HA   . ALA Axp A 74  ? 88.487  16.653 -4.463  1 146.141 ? 95  A 1 c
ATOM 1131 H HB3  . ALA Axp A 74  ? 89.814  14.932 -4.863  1 130.613 ? 95  A 1 c
ATOM 1132 H HB2  . ALA Axp A 74  ? 90.719  15.185 -3.587  1 130.867 ? 95  A 1 c
ATOM 1133 H HB1  . ALA Axp A 74  ? 90.911  16.075 -4.885  1 130.818 ? 95  A 1 c
ATOM 1134 N N    . ASP Axp A 75  ? 88      14.944 -2.479  1 152.102 ? 96  A 1 .
ATOM 1135 C CA   . ASP Axp A 75  ? 87.441  14.34  -1.276  1 148.455 ? 96  A 1 .
ATOM 1136 C C    . ASP Axp A 75  ? 88.416  13.356 -0.645  1 150.012 ? 96  A 1 .
ATOM 1137 O O    . ASP Axp A 75  ? 89.058  12.589 -1.357  1 168.448 ? 96  A 1 .
ATOM 1138 C CB   . ASP Axp A 75  ? 86.168  13.581 -1.583  1 142.411 ? 96  A 1 .
ATOM 1139 C CG   . ASP Axp A 75  ? 84.982  14.506 -1.739  1 139.64  ? 96  A 1 .
ATOM 1140 O OD1  . ASP Axp A 75  ? 85.077  15.399 -2.587  1 150.92  ? 96  A 1 .
ATOM 1141 O OD2  . ASP Axp A 75  ? 84.021  14.348 -0.971  1 138.469 ? 96  A 1 .
ATOM 1142 H H    . ASP Axp A 75  ? 87.915  14.496 -3.271  1 152.58  ? 96  A 1 c
ATOM 1143 H HA   . ASP Axp A 75  ? 87.237  15.052 -0.629  1 148.221 ? 96  A 1 c
ATOM 1144 H HB3  . ASP Axp A 75  ? 85.977  12.95  -0.857  1 143.134 ? 96  A 1 c
ATOM 1145 H HB2  . ASP Axp A 75  ? 86.281  13.071 -2.412  1 143.178 ? 96  A 1 c
ATOM 1146 N N    . THR Axp A 76  ? 88.462  13.333 0.69    1 131.401 ? 97  A 1 .
ATOM 1147 C CA   . THR Axp A 76  ? 89.313  12.364 1.356   1 137.902 ? 97  A 1 .
ATOM 1148 C C    . THR Axp A 76  ? 88.963  12.245 2.838   1 145.889 ? 97  A 1 .
ATOM 1149 O O    . THR Axp A 76  ? 88.141  13.007 3.358   1 137.358 ? 97  A 1 .
ATOM 1150 C CB   . THR Axp A 76  ? 90.768  12.779 1.137   1 140.048 ? 97  A 1 .
ATOM 1151 O OG1  . THR Axp A 76  ? 91.536  11.692 1.654   1 133.009 ? 97  A 1 .
ATOM 1152 C CG2  . THR Axp A 76  ? 91.069  14.128 1.769   1 132.635 ? 97  A 1 .
ATOM 1153 H H    . THR Axp A 76  ? 87.965  13.918 1.186   1 137.319 ? 97  A 1 c
ATOM 1154 H HA   . THR Axp A 76  ? 89.173  11.489 0.933   1 138.631 ? 97  A 1 c
ATOM 1155 H HB   . THR Axp A 76  ? 90.946  12.854 0.169   1 137.101 ? 97  A 1 c
ATOM 1156 H HG1  . THR Axp A 76  ? 91.205  11.235 2.58    0 60      ? 97  A 1 c
ATOM 1157 H HG21 . THR Axp A 76  ? 91.851  14.517 1.343   1 134.794 ? 97  A 1 c
ATOM 1158 H HG22 . THR Axp A 76  ? 91.243  14.01  2.718   1 134.831 ? 97  A 1 c
ATOM 1159 H HG23 . THR Axp A 76  ? 90.309  14.722 1.651   1 134.789 ? 97  A 1 c
ATOM 1160 N N    . ASP Axp A 77  ? 89.598  11.249 3.486   1 144.286 ? 98  A 1 .
ATOM 1161 C CA   . ASP Axp A 77  ? 89.492  11.04  4.923   1 138.815 ? 98  A 1 .
ATOM 1162 C C    . ASP Axp A 77  ? 90.62   11.819 5.59    1 140.92  ? 98  A 1 .
ATOM 1163 O O    . ASP Axp A 77  ? 91.714  11.907 5.045   1 134.729 ? 98  A 1 .
ATOM 1164 C CB   . ASP Axp A 77  ? 89.504  9.565  5.307   1 131.757 ? 98  A 1 .
ATOM 1165 C CG   . ASP Axp A 77  ? 90.826  9.004  5.816   1 136.564 ? 98  A 1 .
ATOM 1166 O OD1  . ASP Axp A 77  ? 91.224  9.356  6.955   1 134.57  ? 98  A 1 .
ATOM 1167 O OD2  . ASP Axp A 77  ? 91.446  8.22   5.072   1 136.191 ? 98  A 1 .
ATOM 1168 H H    . ASP Axp A 77  ? 90.12   10.675 3.002   1 143.351 ? 98  A 1 c
ATOM 1169 H HA   . ASP Axp A 77  ? 88.634  11.413 5.227   1 138.866 ? 98  A 1 c
ATOM 1170 H HB3  . ASP Axp A 77  ? 89.235  9.039  4.524   1 134.504 ? 98  A 1 c
ATOM 1171 H HB2  . ASP Axp A 77  ? 88.831  9.424  6.004   1 134.452 ? 98  A 1 c
ATOM 1172 N N    . ARG Axp A 78  ? 90.366  12.337 6.795   1 131.913 ? 99  A 1 .
ATOM 1173 C CA   . ARG Axp A 78  ? 91.296  13.234 7.465   1 119.902 ? 99  A 1 .
ATOM 1174 C C    . ARG Axp A 78  ? 92.743  12.743 7.346   1 111.674 ? 99  A 1 .
ATOM 1175 O O    . ARG Axp A 78  ? 93.598  13.502 6.901   1 102.004 ? 99  A 1 .
ATOM 1176 C CB   . ARG Axp A 78  ? 90.844  13.419 8.915   1 114.023 ? 99  A 1 .
ATOM 1177 C CG   . ARG Axp A 78  ? 90.971  12.15  9.738   1 108.907 ? 99  A 1 .
ATOM 1178 C CD   . ARG Axp A 78  ? 90.641  12.348 11.186  1 102.229 ? 99  A 1 .
ATOM 1179 N NE   . ARG Axp A 78  ? 91.211  11.2   11.888  1 99.501  ? 99  A 1 .
ATOM 1180 C CZ   . ARG Axp A 78  ? 91.252  11.073 13.193  1 108.076 ? 99  A 1 .
ATOM 1181 N NH1  . ARG Axp A 78  ? 90.607  11.938 13.96   1 103.823 ? 99  A 1 .
ATOM 1182 N NH2  . ARG Axp A 78  ? 91.873  10.016 13.692  1 116.81  ? 99  A 1 .
ATOM 1183 H H    . ARG Axp A 78  ? 89.583  12.123 7.215   1 130.691 ? 99  A 1 c
ATOM 1184 H HA   . ARG Axp A 78  ? 91.237  14.117 7.019   1 119.2   ? 99  A 1 c
ATOM 1185 H HB3  . ARG Axp A 78  ? 89.908  13.713 8.924   1 114.225 ? 99  A 1 c
ATOM 1186 H HB2  . ARG Axp A 78  ? 91.385  14.124 9.331   1 114.142 ? 99  A 1 c
ATOM 1187 H HG3  . ARG Axp A 78  ? 91.891  11.819 9.675   1 108.521 ? 99  A 1 c
ATOM 1188 H HG2  . ARG Axp A 78  ? 90.377  11.462 9.366   1 108.69  ? 99  A 1 c
ATOM 1189 H HD3  . ARG Axp A 78  ? 89.672  12.375 11.324  1 103.038 ? 99  A 1 c
ATOM 1190 H HD2  . ARG Axp A 78  ? 91.037  13.177 11.526  1 103.038 ? 99  A 1 c
ATOM 1191 H HE   . ARG Axp A 78  ? 91.542  10.548 11.414  1 102.393 ? 99  A 1 c
ATOM 1192 H HH11 . ARG Axp A 78  ? 89.786  12.19  13.751  1 104.939 ? 99  A 1 c
ATOM 1193 H HH12 . ARG Axp A 78  ? 90.997  12.25  14.688  1 104.441 ? 99  A 1 c
ATOM 1194 H HH21 . ARG Axp A 78  ? 92.671  9.791  13.386  1 113.951 ? 99  A 1 c
ATOM 1195 H HH22 . ARG Axp A 78  ? 91.486  9.539  14.328  1 114.026 ? 99  A 1 c
ATOM 1196 N N    . GLU Axp A 79  ? 93.01   11.474 7.695   1 117.504 ? 100 A 1 .
ATOM 1197 C CA   . GLU Axp A 79  ? 94.366  10.933 7.718   1 119.898 ? 100 A 1 .
ATOM 1198 C C    . GLU Axp A 79  ? 95.07   11.164 6.379   1 118.912 ? 100 A 1 .
ATOM 1199 O O    . GLU Axp A 79  ? 96.087  11.855 6.308   1 129.598 ? 100 A 1 .
ATOM 1200 C CB   . GLU Axp A 79  ? 94.403  9.434  8.04    1 112.785 ? 100 A 1 .
ATOM 1201 C CG   . GLU Axp A 79  ? 95.812  8.839  7.993   1 111.253 ? 100 A 1 .
ATOM 1202 C CD   . GLU Axp A 79  ? 95.926  7.454  8.608   1 105.005 ? 100 A 1 .
ATOM 1203 O OE1  . GLU Axp A 79  ? 94.85   6.934  8.931   1 119.19  ? 100 A 1 .
ATOM 1204 O OE2  . GLU Axp A 79  ? 97.029  6.897  8.798   1 88.761  ? 100 A 1 .
ATOM 1205 H H    . GLU Axp A 79  ? 92.316  10.913 7.891   1 116.563 ? 100 A 1 c
ATOM 1206 H HA   . GLU Axp A 79  ? 94.874  11.412 8.422   1 117.922 ? 100 A 1 c
ATOM 1207 H HB3  . GLU Axp A 79  ? 93.833  8.958  7.401   1 114.025 ? 100 A 1 c
ATOM 1208 H HB2  . GLU Axp A 79  ? 94.027  9.298  8.934   1 114.043 ? 100 A 1 c
ATOM 1209 H HG3  . GLU Axp A 79  ? 96.428  9.44   8.464   1 109.763 ? 100 A 1 c
ATOM 1210 H HG2  . GLU Axp A 79  ? 96.106  8.786  7.059   1 110.095 ? 100 A 1 c
ATOM 1211 N N    . ASN Axp A 80  ? 94.53   10.558 5.32    1 106.493 ? 101 A 1 .
ATOM 1212 C CA   . ASN Axp A 80  ? 95.173  10.534 4.023   1 98.489  ? 101 A 1 .
ATOM 1213 C C    . ASN Axp A 80  ? 95.616  11.929 3.596   1 94.606  ? 101 A 1 .
ATOM 1214 O O    . ASN Axp A 80  ? 96.675  12.1   2.996   1 100.901 ? 101 A 1 .
ATOM 1215 C CB   . ASN Axp A 80  ? 94.244  9.939  2.98    1 99.399  ? 101 A 1 .
ATOM 1216 C CG   . ASN Axp A 80  ? 94.962  9.812  1.665   1 100.739 ? 101 A 1 .
ATOM 1217 O OD1  . ASN Axp A 80  ? 95.978  9.112  1.578   1 99.073  ? 101 A 1 .
ATOM 1218 N ND2  . ASN Axp A 80  ? 94.48   10.523 0.661   1 103.419 ? 101 A 1 .
ATOM 1219 H H    . ASN Axp A 80  ? 93.718  10.147 5.411   1 107.558 ? 101 A 1 c
ATOM 1220 H HA   . ASN Axp A 80  ? 95.966  9.955  4.083   1 99.439  ? 101 A 1 c
ATOM 1221 H HB3  . ASN Axp A 80  ? 93.461  10.514 2.873   1 99.703  ? 101 A 1 c
ATOM 1222 H HB2  . ASN Axp A 80  ? 93.943  9.056  3.274   1 99.538  ? 101 A 1 c
ATOM 1223 H HD21 . ASN Axp A 80  ? 94.369  10.146 -0.134  1 102.582 ? 101 A 1 c
ATOM 1224 H HD22 . ASN Axp A 80  ? 94.268  11.376 0.784   1 102.564 ? 101 A 1 c
ATOM 1225 N N    . MET Axp A 81  ? 94.784  12.924 3.883   1 95.885  ? 102 A 1 .
ATOM 1226 C CA   . MET Axp A 81  ? 95.091  14.301 3.534   1 102.27  ? 102 A 1 .
ATOM 1227 C C    . MET Axp A 81  ? 96.507  14.676 3.994   1 91.68   ? 102 A 1 .
ATOM 1228 O O    . MET Axp A 81  ? 97.121  15.569 3.424   1 86.244  ? 102 A 1 .
ATOM 1229 C CB   . MET Axp A 81  ? 94.035  15.215 4.167   1 103.223 ? 102 A 1 .
ATOM 1230 C CG   . MET Axp A 81  ? 94.195  16.695 3.917   1 98.208  ? 102 A 1 .
ATOM 1231 S SD   . MET Axp A 81  ? 93.43   17.547 5.307   1 94.155  ? 102 A 1 .
ATOM 1232 C CE   . MET Axp A 81  ? 91.767  16.864 5.192   1 97.658  ? 102 A 1 .
ATOM 1233 H H    . MET Axp A 81  ? 93.99   12.743 4.298   1 97.234  ? 102 A 1 c
ATOM 1234 H HA   . MET Axp A 81  ? 95.049  14.386 2.548   1 99.158  ? 102 A 1 c
ATOM 1235 H HB3  . MET Axp A 81  ? 94.043  15.062 5.135   1 101.776 ? 102 A 1 c
ATOM 1236 H HB2  . MET Axp A 81  ? 93.155  14.936 3.835   1 101.771 ? 102 A 1 c
ATOM 1237 H HG3  . MET Axp A 81  ? 93.749  16.951 3.085   1 98.568  ? 102 A 1 c
ATOM 1238 H HG2  . MET Axp A 81  ? 95.138  16.938 3.86    1 98.466  ? 102 A 1 c
ATOM 1239 H HE3  . MET Axp A 81  ? 91.722  16.033 5.7     1 96.956  ? 102 A 1 c
ATOM 1240 H HE2  . MET Axp A 81  ? 91.553  16.686 4.257   1 96.848  ? 102 A 1 c
ATOM 1241 H HE1  . MET Axp A 81  ? 91.128  17.503 5.556   1 96.825  ? 102 A 1 c
ATOM 1242 N N    . TRP Axp A 82  ? 97.022  14.024 5.045   1 86.828  ? 103 A 1 .
ATOM 1243 C CA   . TRP Axp A 82  ? 98.335  14.356 5.577   1 79.827  ? 103 A 1 .
ATOM 1244 C C    . TRP Axp A 82  ? 99.415  13.553 4.864   1 81.078  ? 103 A 1 .
ATOM 1245 O O    . TRP Axp A 82  ? 100.434 14.106 4.474   1 86.725  ? 103 A 1 .
ATOM 1246 C CB   . TRP Axp A 82  ? 98.367  14.186 7.105   1 71.765  ? 103 A 1 .
ATOM 1247 C CG   . TRP Axp A 82  ? 97.366  15.097 7.779   1 74.248  ? 103 A 1 .
ATOM 1248 C CD1  . TRP Axp A 82  ? 96.061  14.824 8.071   1 78.188  ? 103 A 1 .
ATOM 1249 C CD2  . TRP Axp A 82  ? 97.558  16.47  8.172   1 73.174  ? 103 A 1 .
ATOM 1250 N NE1  . TRP Axp A 82  ? 95.444  15.901 8.65    1 73.645  ? 103 A 1 .
ATOM 1251 C CE2  . TRP Axp A 82  ? 96.338  16.928 8.714   1 75.05   ? 103 A 1 .
ATOM 1252 C CE3  . TRP Axp A 82  ? 98.637  17.353 8.107   1 86.725  ? 103 A 1 .
ATOM 1253 C CZ2  . TRP Axp A 82  ? 96.176  18.221 9.198   1 91.328  ? 103 A 1 .
ATOM 1254 C CZ3  . TRP Axp A 82  ? 98.476  18.638 8.573   1 90.628  ? 103 A 1 .
ATOM 1255 C CH2  . TRP Axp A 82  ? 97.267  19.06  9.124   1 93.804  ? 103 A 1 .
ATOM 1256 H H    . TRP Axp A 82  ? 96.533  13.375 5.46    1 86.569  ? 103 A 1 c
ATOM 1257 H HA   . TRP Axp A 82  ? 98.501  15.318 5.386   1 79.942  ? 103 A 1 c
ATOM 1258 H HB3  . TRP Axp A 82  ? 99.268  14.401 7.429   1 74.127  ? 103 A 1 c
ATOM 1259 H HB2  . TRP Axp A 82  ? 98.156  13.254 7.326   1 74.305  ? 103 A 1 c
ATOM 1260 H HD1  . TRP Axp A 82  ? 95.65   13.988 7.934   1 76.633  ? 103 A 1 c
ATOM 1261 H HE1  . TRP Axp A 82  ? 94.617  15.925 8.925   1 75.076  ? 103 A 1 c
ATOM 1262 H HE3  . TRP Axp A 82  ? 99.461  17.073 7.748   1 84.266  ? 103 A 1 c
ATOM 1263 H HZ2  . TRP Axp A 82  ? 95.355  18.512 9.556   1 87.692  ? 103 A 1 c
ATOM 1264 H HZ3  . TRP Axp A 82  ? 99.205  19.235 8.548   1 90.172  ? 103 A 1 c
ATOM 1265 H HH2  . TRP Axp A 82  ? 97.19   19.942 9.438   1 91.482  ? 103 A 1 c
ATOM 1266 N N    . ARG Axp A 83  ? 99.18   12.261 4.645   1 85.464  ? 104 A 1 .
ATOM 1267 C CA   . ARG Axp A 83  ? 100.161 11.431 3.962   1 82.426  ? 104 A 1 .
ATOM 1268 C C    . ARG Axp A 83  ? 100.556 12.028 2.61    1 80.005  ? 104 A 1 .
ATOM 1269 O O    . ARG Axp A 83  ? 101.727 12.023 2.249   1 79.513  ? 104 A 1 .
ATOM 1270 C CB   . ARG Axp A 83  ? 99.634  10.01  3.759   1 81.441  ? 104 A 1 .
ATOM 1271 C CG   . ARG Axp A 83  ? 100.434 9.245  2.716   1 86.082  ? 104 A 1 .
ATOM 1272 C CD   . ARG Axp A 83  ? 100.112 7.767  2.679   1 78.717  ? 104 A 1 .
ATOM 1273 N NE   . ARG Axp A 83  ? 100.734 7.057  3.798   1 72.466  ? 104 A 1 .
ATOM 1274 C CZ   . ARG Axp A 83  ? 100.083 6.758  4.914   1 77.887  ? 104 A 1 .
ATOM 1275 N NH1  . ARG Axp A 83  ? 98.849  7.229  5.076   1 76.009  ? 104 A 1 .
ATOM 1276 N NH2  . ARG Axp A 83  ? 100.668 6.016  5.857   1 70.676  ? 104 A 1 .
ATOM 1277 H H    . ARG Axp A 83  ? 98.399  11.884 4.93    1 83.683  ? 104 A 1 c
ATOM 1278 H HA   . ARG Axp A 83  ? 100.973 11.388 4.525   1 82.036  ? 104 A 1 c
ATOM 1279 H HB3  . ARG Axp A 83  ? 98.695  10.05  3.477   1 82.616  ? 104 A 1 c
ATOM 1280 H HB2  . ARG Axp A 83  ? 99.674  9.529  4.608   1 82.227  ? 104 A 1 c
ATOM 1281 H HG3  . ARG Axp A 83  ? 101.392 9.355  2.902   1 83.241  ? 104 A 1 c
ATOM 1282 H HG2  . ARG Axp A 83  ? 100.256 9.626  1.829   1 83.25   ? 104 A 1 c
ATOM 1283 H HD3  . ARG Axp A 83  ? 100.44  7.39   1.838   1 78.766  ? 104 A 1 c
ATOM 1284 H HD2  . ARG Axp A 83  ? 99.142  7.643  2.707   1 78.736  ? 104 A 1 c
ATOM 1285 H HE   . ARG Axp A 83  ? 101.569 6.82   3.726   1 75.083  ? 104 A 1 c
ATOM 1286 H HH11 . ARG Axp A 83  ? 98.185  6.901  4.593   1 76.593  ? 104 A 1 c
ATOM 1287 H HH12 . ARG Axp A 83  ? 98.694  7.857  5.678   1 76.506  ? 104 A 1 c
ATOM 1288 H HH21 . ARG Axp A 83  ? 101.536 5.87   5.819   1 73.093  ? 104 A 1 c
ATOM 1289 H HH22 . ARG Axp A 83  ? 100.182 5.664  6.505   1 72.879  ? 104 A 1 c
ATOM 1290 N N    . THR Axp A 84  ? 99.584  12.511 1.834   1 82.734  ? 105 A 1 .
ATOM 1291 C CA   . THR Axp A 84  ? 99.881  13.009 0.497   1 85.626  ? 105 A 1 .
ATOM 1292 C C    . THR Axp A 84  ? 100.695 14.293 0.578   1 77.499  ? 105 A 1 .
ATOM 1293 O O    . THR Axp A 84  ? 101.416 14.624 -0.362  1 79.701  ? 105 A 1 .
ATOM 1294 C CB   . THR Axp A 84  ? 98.604  13.215 -0.317  1 82.042  ? 105 A 1 .
ATOM 1295 O OG1  . THR Axp A 84  ? 97.53   13.389 0.611   1 68.84   ? 105 A 1 .
ATOM 1296 C CG2  . THR Axp A 84  ? 98.364  12.027 -1.234  1 88.518  ? 105 A 1 .
ATOM 1297 H H    . THR Axp A 84  ? 98.722  12.529 2.136   1 82.72   ? 105 A 1 c
ATOM 1298 H HA   . THR Axp A 84  ? 100.425 12.331 0.039   1 82.872  ? 105 A 1 c
ATOM 1299 H HB   . THR Axp A 84  ? 98.69   14.028 -0.869  1 80.987  ? 105 A 1 c
ATOM 1300 H HG1  . THR Axp A 84  ? 97.363  12.891 1.127   0 53.54   ? 105 A 1 c
ATOM 1301 H HG21 . THR Axp A 84  ? 97.502  12.124 -1.672  1 86.547  ? 105 A 1 c
ATOM 1302 H HG22 . THR Axp A 84  ? 98.371  11.207 -0.712  1 86.547  ? 105 A 1 c
ATOM 1303 H HG23 . THR Axp A 84  ? 99.065  11.988 -1.906  1 86.527  ? 105 A 1 c
ATOM 1304 N N    . GLY Axp A 85  ? 100.539 15.012 1.693   1 70.229  ? 106 A 1 .
ATOM 1305 C CA   . GLY Axp A 85  ? 101.23  16.275 1.892   1 69.723  ? 106 A 1 .
ATOM 1306 C C    . GLY Axp A 85  ? 102.652 16.041 2.387   1 67.289  ? 106 A 1 .
ATOM 1307 O O    . GLY Axp A 85  ? 103.614 16.6   1.853   1 60.316  ? 106 A 1 .
ATOM 1308 H H    . GLY Axp A 85  ? 99.969  14.72  2.344   1 72.037  ? 106 A 1 c
ATOM 1309 H HA3  . GLY Axp A 85  ? 100.734 16.814 2.552   1 69.303  ? 106 A 1 c
ATOM 1310 H HA2  . GLY Axp A 85  ? 101.25  16.775 1.043   1 69.35   ? 106 A 1 c
ATOM 1311 N N    . ILE Axp A 86  ? 102.758 15.206 3.427   1 67.138  ? 107 A 1 .
ATOM 1312 C CA   . ILE Axp A 86  ? 104.047 14.819 3.96    1 65.739  ? 107 A 1 .
ATOM 1313 C C    . ILE Axp A 86  ? 104.777 14.063 2.861   1 74.413  ? 107 A 1 .
ATOM 1314 O O    . ILE Axp A 86  ? 105.992 14.081 2.809   1 86.479  ? 107 A 1 .
ATOM 1315 C CB   . ILE Axp A 86  ? 103.91  13.986 5.247   1 64.334  ? 107 A 1 .
ATOM 1316 C CG1  . ILE Axp A 86  ? 103.422 14.832 6.422   1 65.567  ? 107 A 1 .
ATOM 1317 C CG2  . ILE Axp A 86  ? 105.23  13.286 5.58    1 67.81   ? 107 A 1 .
ATOM 1318 C CD1  . ILE Axp A 86  ? 103.455 14.118 7.765   1 70.56   ? 107 A 1 .
ATOM 1319 H H    . ILE Axp A 86  ? 102.001 14.874 3.818   1 66.867  ? 107 A 1 c
ATOM 1320 H HA   . ILE Axp A 86  ? 104.551 15.63  4.169   1 67.234  ? 107 A 1 c
ATOM 1321 H HB   . ILE Axp A 86  ? 103.239 13.294 5.081   1 65.469  ? 107 A 1 c
ATOM 1322 H HG12 . ILE Axp A 86  ? 102.503 15.117 6.241   1 66.391  ? 107 A 1 c
ATOM 1323 H HG13 . ILE Axp A 86  ? 103.977 15.636 6.48    1 66.395  ? 107 A 1 c
ATOM 1324 H HG21 . ILE Axp A 86  ? 105.208 12.952 6.491   1 66.847  ? 107 A 1 c
ATOM 1325 H HG22 . ILE Axp A 86  ? 105.965 13.916 5.488   1 66.916  ? 107 A 1 c
ATOM 1326 H HG23 . ILE Axp A 86  ? 105.367 12.541 4.972   1 66.85   ? 107 A 1 c
ATOM 1327 H HD11 . ILE Axp A 86  ? 103.451 13.151 7.634   1 68.913  ? 107 A 1 c
ATOM 1328 H HD12 . ILE Axp A 86  ? 102.661 14.374 8.27    1 68.885  ? 107 A 1 c
ATOM 1329 H HD13 . ILE Axp A 86  ? 104.251 14.374 8.264   1 68.723  ? 107 A 1 c
ATOM 1330 N N    . ASN Axp A 87  ? 104.027 13.409 1.976   1 76.769  ? 108 A 1 .
ATOM 1331 C CA   . ASN Axp A 87  ? 104.636 12.67  0.891   1 70.427  ? 108 A 1 .
ATOM 1332 C C    . ASN Axp A 87  ? 105.395 13.62  -0.036  1 66.324  ? 108 A 1 .
ATOM 1333 O O    . ASN Axp A 87  ? 106.464 13.282 -0.527  1 68.057  ? 108 A 1 .
ATOM 1334 C CB   . ASN Axp A 87  ? 103.585 11.855 0.156   1 71.801  ? 108 A 1 .
ATOM 1335 C CG   . ASN Axp A 87  ? 104.233 10.886 -0.791  1 70.607  ? 108 A 1 .
ATOM 1336 O OD1  . ASN Axp A 87  ? 105.09  10.104 -0.364  1 58.489  ? 108 A 1 .
ATOM 1337 N ND2  . ASN Axp A 87  ? 103.853 10.948 -2.061  1 80.379  ? 108 A 1 .
ATOM 1338 H H    . ASN Axp A 87  ? 103.117 13.4   2.061   1 74.535  ? 108 A 1 c
ATOM 1339 H HA   . ASN Axp A 87  ? 105.281 12.037 1.281   1 71.099  ? 108 A 1 c
ATOM 1340 H HB3  . ASN Axp A 87  ? 102.994 12.454 -0.342  1 71.319  ? 108 A 1 c
ATOM 1341 H HB2  . ASN Axp A 87  ? 103.047 11.357 0.801   1 71.297  ? 108 A 1 c
ATOM 1342 H HD21 . ASN Axp A 87  ? 103.615 10.208 -2.488  1 77.233  ? 108 A 1 c
ATOM 1343 H HD22 . ASN Axp A 87  ? 103.836 11.729 -2.481  1 77.233  ? 108 A 1 c
ATOM 1344 N N    . VAL Axp A 88  ? 104.855 14.817 -0.269  1 61.366  ? 109 A 1 .
ATOM 1345 C CA   . VAL Axp A 88  ? 105.476 15.768 -1.174  1 59.742  ? 109 A 1 .
ATOM 1346 C C    . VAL Axp A 88  ? 106.96  15.952 -0.854  1 59.162  ? 109 A 1 .
ATOM 1347 O O    . VAL Axp A 88  ? 107.759 16.214 -1.751  1 47.114  ? 109 A 1 .
ATOM 1348 C CB   . VAL Axp A 88  ? 104.78  17.137 -1.162  1 58.772  ? 109 A 1 .
ATOM 1349 C CG1  . VAL Axp A 88  ? 105.461 18.062 -2.146  1 54.407  ? 109 A 1 .
ATOM 1350 C CG2  . VAL Axp A 88  ? 103.294 17.033 -1.479  1 66.314  ? 109 A 1 .
ATOM 1351 H H    . VAL Axp A 88  ? 104.073 15.047 0.146   1 62.321  ? 109 A 1 c
ATOM 1352 H HA   . VAL Axp A 88  ? 105.407 15.405 -2.078  1 59.741  ? 109 A 1 c
ATOM 1353 H HB   . VAL Axp A 88  ? 104.882 17.514 -0.257  1 59.424  ? 109 A 1 c
ATOM 1354 H HG11 . VAL Axp A 88  ? 105.653 17.581 -2.968  1 55.887  ? 109 A 1 c
ATOM 1355 H HG12 . VAL Axp A 88  ? 106.29  18.393 -1.763  1 55.753  ? 109 A 1 c
ATOM 1356 H HG13 . VAL Axp A 88  ? 104.877 18.814 -2.34   1 56.067  ? 109 A 1 c
ATOM 1357 H HG21 . VAL Axp A 88  ? 102.982 17.868 -1.866  1 63.875  ? 109 A 1 c
ATOM 1358 H HG22 . VAL Axp A 88  ? 102.8   16.853 -0.663  1 64.037  ? 109 A 1 c
ATOM 1359 H HG23 . VAL Axp A 88  ? 103.147 16.31  -2.112  1 63.955  ? 109 A 1 c
ATOM 1360 N N    . PHE Axp A 89  ? 107.32  15.875 0.432   1 71.66   ? 110 A 1 .
ATOM 1361 C CA   . PHE Axp A 89  ? 108.693 16.114 0.864   1 67.082  ? 110 A 1 .
ATOM 1362 C C    . PHE Axp A 89  ? 109.531 14.844 0.751   1 61.412  ? 110 A 1 .
ATOM 1363 O O    . PHE Axp A 89  ? 110.594 14.855 0.132   1 61.13   ? 110 A 1 .
ATOM 1364 C CB   . PHE Axp A 89  ? 108.656 16.718 2.268   1 57.284  ? 110 A 1 .
ATOM 1365 C CG   . PHE Axp A 89  ? 108.067 18.118 2.242   1 56.731  ? 110 A 1 .
ATOM 1366 C CD1  . PHE Axp A 89  ? 106.705 18.301 2.394   1 59.936  ? 110 A 1 .
ATOM 1367 C CD2  . PHE Axp A 89  ? 108.857 19.232 1.986   1 54.592  ? 110 A 1 .
ATOM 1368 C CE1  . PHE Axp A 89  ? 106.163 19.574 2.371   1 60.409  ? 110 A 1 .
ATOM 1369 C CE2  . PHE Axp A 89  ? 108.304 20.502 1.958   1 56.763  ? 110 A 1 .
ATOM 1370 C CZ   . PHE Axp A 89  ? 106.957 20.669 2.142   1 55.833  ? 110 A 1 .
ATOM 1371 H H    . PHE Axp A 89  ? 106.689 15.684 1.065   1 67.197  ? 110 A 1 c
ATOM 1372 H HA   . PHE Axp A 89  ? 109.089 16.793 0.256   1 64.72   ? 110 A 1 c
ATOM 1373 H HB3  . PHE Axp A 89  ? 109.572 16.756 2.624   1 59.252  ? 110 A 1 c
ATOM 1374 H HB2  . PHE Axp A 89  ? 108.111 16.144 2.851   1 59.293  ? 110 A 1 c
ATOM 1375 H HD1  . PHE Axp A 89  ? 106.149 17.556 2.563   1 59.205  ? 110 A 1 c
ATOM 1376 H HD2  . PHE Axp A 89  ? 109.786 19.124 1.871   1 55.674  ? 110 A 1 c
ATOM 1377 H HE1  . PHE Axp A 89  ? 105.234 19.688 2.493   1 59.154  ? 110 A 1 c
ATOM 1378 H HE2  . PHE Axp A 89  ? 108.854 21.246 1.802   1 56.121  ? 110 A 1 c
ATOM 1379 H HZ   . PHE Axp A 89  ? 106.579 21.533 2.114   1 57.097  ? 110 A 1 c
ATOM 1380 N N    . PHE Axp A 90  ? 109.035 13.751 1.334   1 63.184  ? 111 A 1 .
ATOM 1381 C CA   . PHE Axp A 90  ? 109.7   12.456 1.265   1 69.156  ? 111 A 1 .
ATOM 1382 C C    . PHE Axp A 90  ? 109.943 12.043 -0.185  1 68.963  ? 111 A 1 .
ATOM 1383 O O    . PHE Axp A 90  ? 110.947 11.396 -0.482  1 56.479  ? 111 A 1 .
ATOM 1384 C CB   . PHE Axp A 90  ? 108.871 11.402 2.005   1 69.744  ? 111 A 1 .
ATOM 1385 C CG   . PHE Axp A 90  ? 109.053 9.992  1.476   1 68.393  ? 111 A 1 .
ATOM 1386 C CD1  . PHE Axp A 90  ? 108.319 9.568  0.38    1 78.397  ? 111 A 1 .
ATOM 1387 C CD2  . PHE Axp A 90  ? 109.959 9.114  2.059   1 67.178  ? 111 A 1 .
ATOM 1388 C CE1  . PHE Axp A 90  ? 108.445 8.271  -0.084  1 84.994  ? 111 A 1 .
ATOM 1389 C CE2  . PHE Axp A 90  ? 110.108 7.833  1.576   1 67.491  ? 111 A 1 .
ATOM 1390 C CZ   . PHE Axp A 90  ? 109.351 7.413  0.507   1 79.324  ? 111 A 1 .
ATOM 1391 H H    . PHE Axp A 90  ? 108.252 13.817 1.8     1 64.191  ? 111 A 1 c
ATOM 1392 H HA   . PHE Axp A 90  ? 110.58  12.536 1.72    1 68.049  ? 111 A 1 c
ATOM 1393 H HB3  . PHE Axp A 90  ? 107.921 11.645 1.936   1 69.21   ? 111 A 1 c
ATOM 1394 H HB2  . PHE Axp A 90  ? 109.117 11.42  2.956   1 69.231  ? 111 A 1 c
ATOM 1395 H HD1  . PHE Axp A 90  ? 107.689 10.149 -0.013  1 77.086  ? 111 A 1 c
ATOM 1396 H HD2  . PHE Axp A 90  ? 110.471 9.397  2.8     1 67.77   ? 111 A 1 c
ATOM 1397 H HE1  . PHE Axp A 90  ? 107.941 7.987  -0.83   1 81.743  ? 111 A 1 c
ATOM 1398 H HE2  . PHE Axp A 90  ? 110.721 7.242  1.984   1 70.155  ? 111 A 1 c
ATOM 1399 H HZ   . PHE Axp A 90  ? 109.457 6.538  0.171   1 77.473  ? 111 A 1 c
ATOM 1400 N N    . GLU Axp A 91  ? 109.007 12.437 -1.062  1 80.468  ? 112 A 1 .
ATOM 1401 C CA   . GLU Axp A 91  ? 109.074 12.137 -2.487  1 77.527  ? 112 A 1 .
ATOM 1402 C C    . GLU Axp A 91  ? 110.078 13.064 -3.182  1 66.6    ? 112 A 1 .
ATOM 1403 O O    . GLU Axp A 91  ? 110.948 12.628 -3.933  1 50.699  ? 112 A 1 .
ATOM 1404 C CB   . GLU Axp A 91  ? 107.66  12.224 -3.068  1 76.269  ? 112 A 1 .
ATOM 1405 C CG   . GLU Axp A 91  ? 107.496 11.524 -4.414  1 82.102  ? 112 A 1 .
ATOM 1406 C CD   . GLU Axp A 91  ? 106.156 10.833 -4.631  1 86.285  ? 112 A 1 .
ATOM 1407 O OE1  . GLU Axp A 91  ? 105.854 9.927  -3.814  1 77.77   ? 112 A 1 .
ATOM 1408 O OE2  . GLU Axp A 91  ? 105.437 11.167 -5.612  1 78.858  ? 112 A 1 .
ATOM 1409 H H    . GLU Axp A 91  ? 108.283 12.902 -0.754  1 76.648  ? 112 A 1 c
ATOM 1410 H HA   . GLU Axp A 91  ? 109.393 11.204 -2.588  1 75.612  ? 112 A 1 c
ATOM 1411 H HB3  . GLU Axp A 91  ? 107.418 13.169 -3.169  1 77.846  ? 112 A 1 c
ATOM 1412 H HB2  . GLU Axp A 91  ? 107.034 11.823 -2.431  1 77.841  ? 112 A 1 c
ATOM 1413 H HG3  . GLU Axp A 91  ? 108.205 10.853 -4.511  1 81.592  ? 112 A 1 c
ATOM 1414 H HG2  . GLU Axp A 91  ? 107.62  12.183 -5.13   1 81.631  ? 112 A 1 c
ATOM 1415 N N    . THR Axp A 92  ? 109.958 14.365 -2.933  1 61.218  ? 113 A 1 .
ATOM 1416 C CA   . THR Axp A 92  ? 110.845 15.316 -3.567  1 55.522  ? 113 A 1 .
ATOM 1417 C C    . THR Axp A 92  ? 112.271 15.085 -3.089  1 57.76   ? 113 A 1 .
ATOM 1418 O O    . THR Axp A 92  ? 113.105 14.64  -3.861  1 71.556  ? 113 A 1 .
ATOM 1419 C CB   . THR Axp A 92  ? 110.383 16.726 -3.252  1 57.616  ? 113 A 1 .
ATOM 1420 O OG1  . THR Axp A 92  ? 109.243 16.969 -4.063  1 55.184  ? 113 A 1 .
ATOM 1421 C CG2  . THR Axp A 92  ? 111.448 17.738 -3.608  1 64.644  ? 113 A 1 .
ATOM 1422 H H    . THR Axp A 92  ? 109.31  14.666 -2.363  1 61.251  ? 113 A 1 c
ATOM 1423 H HA   . THR Axp A 92  ? 110.808 15.18  -4.539  1 57.457  ? 113 A 1 c
ATOM 1424 H HB   . THR Axp A 92  ? 110.144 16.812 -2.299  1 57.936  ? 113 A 1 c
ATOM 1425 H HG1  . THR Axp A 92  ? 109.33  16.846 -4.883  0 49.16   ? 113 A 1 c
ATOM 1426 H HG21 . THR Axp A 92  ? 111.029 18.591 -3.814  1 62.488  ? 113 A 1 c
ATOM 1427 H HG22 . THR Axp A 92  ? 111.946 17.43  -4.384  1 62.405  ? 113 A 1 c
ATOM 1428 H HG23 . THR Axp A 92  ? 112.054 17.851 -2.857  1 62.434  ? 113 A 1 c
ATOM 1429 N N    . PHE Axp A 93  ? 112.547 15.371 -1.811  1 61.054  ? 114 A 1 .
ATOM 1430 C CA   . PHE Axp A 93  ? 113.901 15.248 -1.28   1 65.522  ? 114 A 1 .
ATOM 1431 C C    . PHE Axp A 93  ? 114.408 13.819 -1.483  1 67.829  ? 114 A 1 .
ATOM 1432 O O    . PHE Axp A 93  ? 115.576 13.605 -1.835  1 64.24   ? 114 A 1 .
ATOM 1433 C CB   . PHE Axp A 93  ? 113.962 15.755 0.168   1 57.193  ? 114 A 1 .
ATOM 1434 C CG   . PHE Axp A 93  ? 113.746 17.264 0.257   1 58.535  ? 114 A 1 .
ATOM 1435 C CD1  . PHE Axp A 93  ? 114.803 18.15  0.07    1 57.921  ? 114 A 1 .
ATOM 1436 C CD2  . PHE Axp A 93  ? 112.475 17.809 0.454   1 59.731  ? 114 A 1 .
ATOM 1437 C CE1  . PHE Axp A 93  ? 114.601 19.53  0.101   1 57.744  ? 114 A 1 .
ATOM 1438 C CE2  . PHE Axp A 93  ? 112.283 19.189 0.503   1 57.221  ? 114 A 1 .
ATOM 1439 C CZ   . PHE Axp A 93  ? 113.349 20.047 0.34    1 56.315  ? 114 A 1 .
ATOM 1440 H H    . PHE Axp A 93  ? 111.874 15.636 -1.252  1 61.078  ? 114 A 1 c
ATOM 1441 H HA   . PHE Axp A 93  ? 114.482 15.845 -1.823  1 63.41   ? 114 A 1 c
ATOM 1442 H HB3  . PHE Axp A 93  ? 114.84  15.53  0.547   1 59.305  ? 114 A 1 c
ATOM 1443 H HB2  . PHE Axp A 93  ? 113.268 15.298 0.694   1 59.36   ? 114 A 1 c
ATOM 1444 H HD1  . PHE Axp A 93  ? 115.669 17.81  -0.086  1 57.934  ? 114 A 1 c
ATOM 1445 H HD2  . PHE Axp A 93  ? 111.739 17.232 0.576   1 58.83   ? 114 A 1 c
ATOM 1446 H HE1  . PHE Axp A 93  ? 115.337 20.113 -0.004  1 57.459  ? 114 A 1 c
ATOM 1447 H HE2  . PHE Axp A 93  ? 111.421 19.538 0.654   1 57.565  ? 114 A 1 c
ATOM 1448 H HZ   . PHE Axp A 93  ? 113.217 20.981 0.366   1 56.855  ? 114 A 1 c
ATOM 1449 N N    . GLY Axp A 94  ? 113.495 12.85  -1.339  1 66.35   ? 115 A 1 .
ATOM 1450 C CA   . GLY Axp A 94  ? 113.86  11.452 -1.472  1 72.063  ? 115 A 1 .
ATOM 1451 C C    . GLY Axp A 94  ? 114.053 11.041 -2.925  1 77.287  ? 115 A 1 .
ATOM 1452 O O    . GLY Axp A 94  ? 114.051 9.855  -3.242  1 111.745 ? 115 A 1 .
ATOM 1453 H H    . GLY Axp A 94  ? 112.629 13.064 -1.139  1 67.825  ? 115 A 1 c
ATOM 1454 H HA3  . GLY Axp A 94  ? 113.157 10.896 -1.069  1 71.658  ? 115 A 1 c
ATOM 1455 H HA2  . GLY Axp A 94  ? 114.695 11.289 -0.974  1 71.697  ? 115 A 1 c
ATOM 1456 N N    . SER Axp A 95  ? 114.156 12.027 -3.808  1 73.093  ? 116 A 1 .
ATOM 1457 C CA   . SER Axp A 95  ? 114.401 11.782 -5.213  1 66.096  ? 116 A 1 .
ATOM 1458 C C    . SER Axp A 95  ? 115.638 12.545 -5.62   1 66.671  ? 116 A 1 .
ATOM 1459 O O    . SER Axp A 95  ? 115.945 12.573 -6.8    1 58.248  ? 116 A 1 .
ATOM 1460 C CB   . SER Axp A 95  ? 113.237 12.207 -6.044  1 63.231  ? 116 A 1 .
ATOM 1461 O OG   . SER Axp A 95  ? 112.188 11.266 -5.933  1 75.398  ? 116 A 1 .
ATOM 1462 H H    . SER Axp A 95  ? 114.016 12.887 -3.538  1 72.204  ? 116 A 1 c
ATOM 1463 H HA   . SER Axp A 95  ? 114.562 10.814 -5.352  1 67.226  ? 116 A 1 c
ATOM 1464 H HB3  . SER Axp A 95  ? 113.51  12.279 -6.978  1 66.538  ? 116 A 1 c
ATOM 1465 H HB2  . SER Axp A 95  ? 112.926 13.081 -5.746  1 66.531  ? 116 A 1 c
ATOM 1466 H HG   . SER Axp A 95  ? 111.547 11.219 -6.326  0 52.83   ? 116 A 1 c
ATOM 1467 N N    . HIS Axp A 96  ? 116.263 13.188 -4.623  1 73.436  ? 117 A 1 .
ATOM 1468 C CA   . HIS Axp A 96  ? 117.362 14.113 -4.818  1 69.088  ? 117 A 1 .
ATOM 1469 C C    . HIS Axp A 96  ? 118.262 14.057 -3.594  1 69.689  ? 117 A 1 .
ATOM 1470 O O    . HIS Axp A 96  ? 118.804 15.069 -3.157  1 68.608  ? 117 A 1 .
ATOM 1471 C CB   . HIS Axp A 96  ? 116.825 15.532 -4.976  1 68.19   ? 117 A 1 .
ATOM 1472 C CG   . HIS Axp A 96  ? 116.104 15.765 -6.254  1 64.713  ? 117 A 1 .
ATOM 1473 N ND1  . HIS Axp A 96  ? 116.762 15.909 -7.457  1 60.628  ? 117 A 1 .
ATOM 1474 C CD2  . HIS Axp A 96  ? 114.799 15.915 -6.5    1 59.775  ? 117 A 1 .
ATOM 1475 C CE1  . HIS Axp A 96  ? 115.863 16.112 -8.406  1 71.164  ? 117 A 1 .
ATOM 1476 N NE2  . HIS Axp A 96  ? 114.66  16.125 -7.84   1 72.185  ? 117 A 1 .
ATOM 1477 H H    . HIS Axp A 96  ? 115.992 13.028 -3.766  1 70.772  ? 117 A 1 c
ATOM 1478 H HA   . HIS Axp A 96  ? 117.887 13.849 -5.614  1 69.773  ? 117 A 1 c
ATOM 1479 H HB3  . HIS Axp A 96  ? 117.576 16.162 -4.92   1 67.578  ? 117 A 1 c
ATOM 1480 H HB2  . HIS Axp A 96  ? 116.218 15.723 -4.229  1 67.565  ? 117 A 1 c
ATOM 1481 H HD1  . HIS Axp A 96  ? 117.645 16.001 -7.497  0 43.74   ? 117 A 1 c
ATOM 1482 H HD2  . HIS Axp A 96  ? 114.101 15.875 -5.877  1 63.66   ? 117 A 1 c
ATOM 1483 H HE1  . HIS Axp A 96  ? 116.046 16.237 -9.322  1 68.702  ? 117 A 1 c
ATOM 1484 H HE2  . HIS Axp A 96  ? 113.949 16.387 -8.321  0 42.34   ? 117 A 1 c
ATOM 1485 N N    . LYS Axp A 97  ? 118.417 12.839 -3.07   1 71.069  ? 118 A 1 .
ATOM 1486 C CA   . LYS Axp A 97  ? 119.044 12.613 -1.78   1 61.466  ? 118 A 1 .
ATOM 1487 C C    . LYS Axp A 97  ? 120.465 13.155 -1.783  1 58.488  ? 118 A 1 .
ATOM 1488 O O    . LYS Axp A 97  ? 120.986 13.497 -0.737  1 53.277  ? 118 A 1 .
ATOM 1489 C CB   . LYS Axp A 97  ? 119.113 11.123 -1.434  1 62.725  ? 118 A 1 .
ATOM 1490 C CG   . LYS Axp A 97  ? 117.84  10.316 -1.666  1 65.701  ? 118 A 1 .
ATOM 1491 C CD   . LYS Axp A 97  ? 117.97  8.918  -1.075  1 70.052  ? 118 A 1 .
ATOM 1492 C CE   . LYS Axp A 97  ? 116.758 8.111  -1.324  1 78.468  ? 118 A 1 .
ATOM 1493 N NZ   . LYS Axp A 97  ? 116.674 7.76   -2.74   1 95.315  ? 118 A 1 .
ATOM 1494 H H    . LYS Axp A 97  ? 118.144 12.114 -3.556  1 68.429  ? 118 A 1 c
ATOM 1495 H HA   . LYS Axp A 97  ? 118.519 13.088 -1.087  1 62.894  ? 118 A 1 c
ATOM 1496 H HB3  . LYS Axp A 97  ? 119.36  11.037 -0.488  1 63.098  ? 118 A 1 c
ATOM 1497 H HB2  . LYS Axp A 97  ? 119.832 10.715 -1.963  1 63.076  ? 118 A 1 c
ATOM 1498 H HG3  . LYS Axp A 97  ? 117.673 10.249 -2.631  1 66.272  ? 118 A 1 c
ATOM 1499 H HG2  . LYS Axp A 97  ? 117.083 10.781 -1.248  1 66.023  ? 118 A 1 c
ATOM 1500 H HD3  . LYS Axp A 97  ? 118.116 8.989  -0.106  1 70.934  ? 118 A 1 c
ATOM 1501 H HD2  . LYS Axp A 97  ? 118.748 8.468  -1.471  1 71.032  ? 118 A 1 c
ATOM 1502 H HE3  . LYS Axp A 97  ? 115.963 8.608  -1.062  1 79.962  ? 118 A 1 c
ATOM 1503 H HE2  . LYS Axp A 97  ? 116.812 7.295  -0.799  1 79.846  ? 118 A 1 c
ATOM 1504 H HZ1  . LYS Axp A 97  ? 117.492 7.543  -3.064  1 89.391  ? 118 A 1 c
ATOM 1505 H HZ2  . LYS Axp A 97  ? 116.341 8.457  -3.212  1 89.368  ? 118 A 1 c
ATOM 1506 H HZ3  . LYS Axp A 97  ? 116.122 7.048  -2.841  1 89.62   ? 118 A 1 c
ATOM 1507 N N    . ALA Axp A 98  ? 121.095 13.21  -2.959  1 70.337  ? 119 A 1 .
ATOM 1508 C CA   . ALA Axp A 98  ? 122.488 13.62  -3.054  1 68.144  ? 119 A 1 .
ATOM 1509 C C    . ALA Axp A 98  ? 122.591 15.1   -2.745  1 63.855  ? 119 A 1 .
ATOM 1510 O O    . ALA Axp A 98  ? 123.417 15.507 -1.946  1 59.48   ? 119 A 1 .
ATOM 1511 C CB   . ALA Axp A 98  ? 123.029 13.341 -4.427  1 66.609  ? 119 A 1 .
ATOM 1512 H H    . ALA Axp A 98  ? 120.656 12.968 -3.722  1 66.837  ? 119 A 1 c
ATOM 1513 H HA   . ALA Axp A 98  ? 123.017 13.117 -2.378  1 67.545  ? 119 A 1 c
ATOM 1514 H HB3  . ALA Axp A 98  ? 123.947 13.655 -4.486  1 67.042  ? 119 A 1 c
ATOM 1515 H HB2  . ALA Axp A 98  ? 122.489 13.801 -5.091  1 67.045  ? 119 A 1 c
ATOM 1516 H HB1  . ALA Axp A 98  ? 123.006 12.385 -4.6    1 67.056  ? 119 A 1 c
ATOM 1517 N N    . VAL Axp A 99  ? 121.752 15.883 -3.417  1 62.736  ? 120 A 1 .
ATOM 1518 C CA   . VAL Axp A 99  ? 121.69  17.306 -3.167  1 69.596  ? 120 A 1 .
ATOM 1519 C C    . VAL Axp A 99  ? 121.357 17.546 -1.702  1 66.597  ? 120 A 1 .
ATOM 1520 O O    . VAL Axp A 99  ? 122.041 18.295 -1.011  1 67.602  ? 120 A 1 .
ATOM 1521 C CB   . VAL Axp A 99  ? 120.627 17.949 -4.062  1 83.764  ? 120 A 1 .
ATOM 1522 C CG1  . VAL Axp A 99  ? 120.582 19.456 -3.853  1 91.465  ? 120 A 1 .
ATOM 1523 C CG2  . VAL Axp A 99  ? 120.871 17.593 -5.517  1 91.853  ? 120 A 1 .
ATOM 1524 H H    . VAL Axp A 99  ? 121.197 15.517 -4.044  1 65.017  ? 120 A 1 c
ATOM 1525 H HA   . VAL Axp A 99  ? 122.56  17.702 -3.367  1 70.085  ? 120 A 1 c
ATOM 1526 H HB   . VAL Axp A 99  ? 119.754 17.576 -3.799  1 83.26   ? 120 A 1 c
ATOM 1527 H HG11 . VAL Axp A 99  ? 121.488 19.803 -3.794  1 88.822  ? 120 A 1 c
ATOM 1528 H HG12 . VAL Axp A 99  ? 120.105 19.656 -3.03   1 88.93   ? 120 A 1 c
ATOM 1529 H HG13 . VAL Axp A 99  ? 120.124 19.876 -4.6    1 89.044  ? 120 A 1 c
ATOM 1530 H HG21 . VAL Axp A 99  ? 120.582 18.325 -6.087  1 89.271  ? 120 A 1 c
ATOM 1531 H HG22 . VAL Axp A 99  ? 120.369 16.792 -5.744  1 89.098  ? 120 A 1 c
ATOM 1532 H HG23 . VAL Axp A 99  ? 121.819 17.43  -5.658  1 89.029  ? 120 A 1 c
ATOM 1533 N N    . THR Axp A 100 ? 120.277 16.917 -1.246  1 60.392  ? 121 A 1 .
ATOM 1534 C CA   . THR Axp A 100 ? 119.883 17.037 0.14    1 53.129  ? 121 A 1 .
ATOM 1535 C C    . THR Axp A 100 ? 121.096 16.841 1.039   1 59.522  ? 121 A 1 .
ATOM 1536 O O    . THR Axp A 100 ? 121.39  17.706 1.858   1 67.02   ? 121 A 1 .
ATOM 1537 C CB   . THR Axp A 100 ? 118.816 16.005 0.461   1 50.686  ? 121 A 1 .
ATOM 1538 O OG1  . THR Axp A 100 ? 117.725 16.25  -0.411  1 47.333  ? 121 A 1 .
ATOM 1539 C CG2  . THR Axp A 100 ? 118.353 16.13  1.897   1 57.491  ? 121 A 1 .
ATOM 1540 H H    . THR Axp A 100 ? 119.774 16.403 -1.81   1 60.316  ? 121 A 1 c
ATOM 1541 H HA   . THR Axp A 100 ? 119.514 17.935 0.286   1 55.2    ? 121 A 1 c
ATOM 1542 H HB   . THR Axp A 100 ? 119.166 15.096 0.305   1 51.698  ? 121 A 1 c
ATOM 1543 H HG1  . THR Axp A 100 ? 117.425 16.998 -0.256  0 29.76   ? 121 A 1 c
ATOM 1544 H HG21 . THR Axp A 100 ? 117.434 15.822 1.969   1 55.346  ? 121 A 1 c
ATOM 1545 H HG22 . THR Axp A 100 ? 118.405 17.059 2.177   1 55.393  ? 121 A 1 c
ATOM 1546 H HG23 . THR Axp A 100 ? 118.921 15.587 2.468   1 55.459  ? 121 A 1 c
ATOM 1547 N N    . ARG Axp A 101 ? 121.789 15.702 0.888   1 63.21   ? 122 A 1 .
ATOM 1548 C CA   . ARG Axp A 101 ? 122.96  15.404 1.699   1 69.869  ? 122 A 1 .
ATOM 1549 C C    . ARG Axp A 101 ? 123.953 16.568 1.622   1 68.631  ? 122 A 1 .
ATOM 1550 O O    . ARG Axp A 101 ? 124.579 16.919 2.618   1 73.324  ? 122 A 1 .
ATOM 1551 C CB   . ARG Axp A 101 ? 123.686 14.11  1.293   1 82.027  ? 122 A 1 .
ATOM 1552 C CG   . ARG Axp A 101 ? 123.014 12.754 1.49    1 81.537  ? 122 A 1 .
ATOM 1553 C CD   . ARG Axp A 101 ? 124.048 11.626 1.574   1 88.051  ? 122 A 1 .
ATOM 1554 N NE   . ARG Axp A 101 ? 125.235 11.788 0.715   1 98.741  ? 122 A 1 .
ATOM 1555 C CZ   . ARG Axp A 101 ? 125.303 11.604 -0.611  1 98.919  ? 122 A 1 .
ATOM 1556 N NH1  . ARG Axp A 101 ? 124.247 11.164 -1.283  1 91.487  ? 122 A 1 .
ATOM 1557 N NH2  . ARG Axp A 101 ? 126.442 11.825 -1.256  1 89.813  ? 122 A 1 .
ATOM 1558 H H    . ARG Axp A 101 ? 121.522 15.094 0.261   1 63.56   ? 122 A 1 c
ATOM 1559 H HA   . ARG Axp A 101 ? 122.669 15.309 2.637   1 70.205  ? 122 A 1 c
ATOM 1560 H HB3  . ARG Axp A 101 ? 124.536 14.093 1.784   1 79.014  ? 122 A 1 c
ATOM 1561 H HB2  . ARG Axp A 101 ? 123.912 14.193 0.342   1 78.858  ? 122 A 1 c
ATOM 1562 H HG3  . ARG Axp A 101 ? 122.408 12.576 0.741   1 82.869  ? 122 A 1 c
ATOM 1563 H HG2  . ARG Axp A 101 ? 122.485 12.769 2.318   1 83.039  ? 122 A 1 c
ATOM 1564 H HD3  . ARG Axp A 101 ? 123.602 10.786 1.341   1 88.919  ? 122 A 1 c
ATOM 1565 H HD2  . ARG Axp A 101 ? 124.341 11.551 2.505   1 88.909  ? 122 A 1 c
ATOM 1566 H HE   . ARG Axp A 101 ? 125.974 12.028 1.108   1 96.148  ? 122 A 1 c
ATOM 1567 H HH11 . ARG Axp A 101 ? 123.431 11.337 -0.993  1 93.245  ? 122 A 1 c
ATOM 1568 H HH12 . ARG Axp A 101 ? 124.366 10.696 -2.023  1 93.576  ? 122 A 1 c
ATOM 1569 H HH21 . ARG Axp A 101 ? 126.943 12.52  -1.037  1 92.522  ? 122 A 1 c
ATOM 1570 H HH22 . ARG Axp A 101 ? 126.695 11.277 -1.901  1 92.522  ? 122 A 1 c
ATOM 1571 N N    . ALA Axp A 102 ? 124.104 17.154 0.427   1 64.727  ? 123 A 1 .
ATOM 1572 C CA   . ALA Axp A 102 ? 125.112 18.173 0.174   1 63.988  ? 123 A 1 .
ATOM 1573 C C    . ALA Axp A 102 ? 124.71  19.51  0.774   1 63.233  ? 123 A 1 .
ATOM 1574 O O    . ALA Axp A 102 ? 125.522 20.161 1.428   1 55.084  ? 123 A 1 .
ATOM 1575 C CB   . ALA Axp A 102 ? 125.327 18.325 -1.312  1 67.452  ? 123 A 1 .
ATOM 1576 H H    . ALA Axp A 102 ? 123.57  16.892 -0.265  1 65.463  ? 123 A 1 c
ATOM 1577 H HA   . ALA Axp A 102 ? 125.966 17.882 0.6     1 64.615  ? 123 A 1 c
ATOM 1578 H HB3  . ALA Axp A 102 ? 126.108 18.88  -1.474  1 66.41   ? 123 A 1 c
ATOM 1579 H HB2  . ALA Axp A 102 ? 124.548 18.742 -1.715  1 66.43   ? 123 A 1 c
ATOM 1580 H HB1  . ALA Axp A 102 ? 125.466 17.451 -1.713  1 66.41   ? 123 A 1 c
ATOM 1581 N N    . GLY Axp A 103 ? 123.474 19.922 0.458   1 70.818  ? 124 A 1 .
ATOM 1582 C CA   . GLY Axp A 103 ? 122.904 21.163 0.944   1 69.96   ? 124 A 1 .
ATOM 1583 C C    . GLY Axp A 103 ? 122.87  21.181 2.468   1 66.985  ? 124 A 1 .
ATOM 1584 O O    . GLY Axp A 103 ? 122.781 22.257 3.06    1 62.024  ? 124 A 1 .
ATOM 1585 H H    . GLY Axp A 103 ? 122.963 19.399 -0.091  1 68.648  ? 124 A 1 c
ATOM 1586 H HA3  . GLY Axp A 103 ? 121.989 21.262 0.59    1 69.489  ? 124 A 1 c
ATOM 1587 H HA2  . GLY Axp A 103 ? 123.443 21.92  0.615   1 69.489  ? 124 A 1 c
ATOM 1588 N N    . GLN Axp A 104 ? 122.957 19.982 3.069   1 64.423  ? 125 A 1 .
ATOM 1589 C CA   . GLN Axp A 104 ? 122.994 19.815 4.514   1 70.537  ? 125 A 1 .
ATOM 1590 C C    . GLN Axp A 104 ? 124.364 20.234 5.039   1 78.117  ? 125 A 1 .
ATOM 1591 O O    . GLN Axp A 104 ? 124.488 21.192 5.804   1 88.323  ? 125 A 1 .
ATOM 1592 C CB   . GLN Axp A 104 ? 122.705 18.361 4.896   1 71.5    ? 125 A 1 .
ATOM 1593 C CG   . GLN Axp A 104 ? 122.47  18.138 6.386   1 67.071  ? 125 A 1 .
ATOM 1594 C CD   . GLN Axp A 104 ? 121.22  18.845 6.847   1 78.147  ? 125 A 1 .
ATOM 1595 O OE1  . GLN Axp A 104 ? 120.271 19.041 6.076   1 89.917  ? 125 A 1 .
ATOM 1596 N NE2  . GLN Axp A 104 ? 121.219 19.282 8.094   1 79.615  ? 125 A 1 .
ATOM 1597 H H    . GLN Axp A 104 ? 122.964 19.229 2.552   1 66.445  ? 125 A 1 c
ATOM 1598 H HA   . GLN Axp A 104 ? 122.305 20.405 4.913   1 70.824  ? 125 A 1 c
ATOM 1599 H HB3  . GLN Axp A 104 ? 123.456 17.805 4.612   1 70.372  ? 125 A 1 c
ATOM 1600 H HB2  . GLN Axp A 104 ? 121.913 18.061 4.404   1 70.351  ? 125 A 1 c
ATOM 1601 H HG3  . GLN Axp A 104 ? 123.239 18.474 6.894   1 70.552  ? 125 A 1 c
ATOM 1602 H HG2  . GLN Axp A 104 ? 122.385 17.18  6.566   1 70.434  ? 125 A 1 c
ATOM 1603 H HE21 . GLN Axp A 104 ? 120.565 19.047 8.645   1 79.16   ? 125 A 1 c
ATOM 1604 H HE22 . GLN Axp A 104 ? 121.874 19.808 8.379   1 79.16   ? 125 A 1 c
ATOM 1605 N N    . ALA Axp A 105 ? 125.408 19.53  4.594   1 74.45   ? 126 A 1 .
ATOM 1606 C CA   . ALA Axp A 105 ? 126.752 19.826 5.048   1 72.301  ? 126 A 1 .
ATOM 1607 C C    . ALA Axp A 105 ? 127.187 21.178 4.491   1 74.524  ? 126 A 1 .
ATOM 1608 O O    . ALA Axp A 105 ? 128.351 21.386 4.182   1 111.59  ? 126 A 1 .
ATOM 1609 C CB   . ALA Axp A 105 ? 127.674 18.698 4.628   1 72.266  ? 126 A 1 .
ATOM 1610 H H    . ALA Axp A 105 ? 125.282 18.861 3.984   1 74.643  ? 126 A 1 c
ATOM 1611 H HA   . ALA Axp A 105 ? 126.741 19.885 6.043   1 73.21   ? 126 A 1 c
ATOM 1612 H HB3  . ALA Axp A 105 ? 128.543 18.813 5.047   1 72.276  ? 126 A 1 c
ATOM 1613 H HB2  . ALA Axp A 105 ? 127.78  18.705 3.661   1 72.276  ? 126 A 1 c
ATOM 1614 H HB1  . ALA Axp A 105 ? 127.295 17.846 4.903   1 72.276  ? 126 A 1 c
ATOM 1615 N N    . ALA Axp A 106 ? 126.235 22.087 4.323   1 70.865  ? 127 A 1 .
ATOM 1616 C CA   . ALA Axp A 106 ? 126.495 23.373 3.703   1 68.545  ? 127 A 1 .
ATOM 1617 C C    . ALA Axp A 106 ? 125.775 24.446 4.484   1 71.412  ? 127 A 1 .
ATOM 1618 O O    . ALA Axp A 106 ? 126.149 25.605 4.384   1 76.8    ? 127 A 1 .
ATOM 1619 C CB   . ALA Axp A 106 ? 126.029 23.403 2.271   1 69.47   ? 127 A 1 .
ATOM 1620 H H    . ALA Axp A 106 ? 125.385 21.895 4.59    1 71.343  ? 127 A 1 c
ATOM 1621 H HA   . ALA Axp A 106 ? 127.473 23.559 3.739   1 69.921  ? 127 A 1 c
ATOM 1622 H HB3  . ALA Axp A 106 ? 126.268 24.254 1.867   1 69.166  ? 127 A 1 c
ATOM 1623 H HB2  . ALA Axp A 106 ? 125.064 23.293 2.238   1 69.144  ? 127 A 1 c
ATOM 1624 H HB1  . ALA Axp A 106 ? 126.451 22.682 1.775   1 69.103  ? 127 A 1 c
ATOM 1625 N N    . ARG Axp A 107 ? 124.739 24.035 5.222   1 75.759  ? 128 A 1 .
ATOM 1626 C CA   . ARG Axp A 107 ? 124.041 24.92  6.13    1 71.538  ? 128 A 1 .
ATOM 1627 C C    . ARG Axp A 107 ? 125.014 25.372 7.21    1 64.108  ? 128 A 1 .
ATOM 1628 O O    . ARG Axp A 107 ? 124.768 26.377 7.856   1 59.161  ? 128 A 1 .
ATOM 1629 C CB   . ARG Axp A 107 ? 122.836 24.203 6.74    1 77.803  ? 128 A 1 .
ATOM 1630 C CG   . ARG Axp A 107 ? 121.885 25.149 7.458   1 97.109  ? 128 A 1 .
ATOM 1631 C CD   . ARG Axp A 107 ? 120.929 24.449 8.41    1 98.58   ? 128 A 1 .
ATOM 1632 N NE   . ARG Axp A 107 ? 120.297 23.275 7.799   1 89.481  ? 128 A 1 .
ATOM 1633 C CZ   . ARG Axp A 107 ? 119.35  22.583 8.394   1 80.467  ? 128 A 1 .
ATOM 1634 N NH1  . ARG Axp A 107 ? 118.873 22.968 9.557   1 71.077  ? 128 A 1 .
ATOM 1635 N NH2  . ARG Axp A 107 ? 118.856 21.52  7.809   1 89.087  ? 128 A 1 .
ATOM 1636 H H    . ARG Axp A 107 ? 124.437 23.178 5.138   1 73.744  ? 128 A 1 c
ATOM 1637 H HA   . ARG Axp A 107 ? 123.733 25.713 5.623   1 71.92   ? 128 A 1 c
ATOM 1638 H HB3  . ARG Axp A 107 ? 123.153 23.526 7.375   1 80.217  ? 128 A 1 c
ATOM 1639 H HB2  . ARG Axp A 107 ? 122.348 23.742 6.025   1 80.308  ? 128 A 1 c
ATOM 1640 H HG3  . ARG Axp A 107 ? 121.36  25.637 6.789   1 92.338  ? 128 A 1 c
ATOM 1641 H HG2  . ARG Axp A 107 ? 122.405 25.809 7.964   1 92.167  ? 128 A 1 c
ATOM 1642 H HD3  . ARG Axp A 107 ? 120.234 25.081 8.687   1 95.873  ? 128 A 1 c
ATOM 1643 H HD2  . ARG Axp A 107 ? 121.419 24.17  9.211   1 95.995  ? 128 A 1 c
ATOM 1644 H HE   . ARG Axp A 107 ? 120.547 23.026 7.004   1 89.074  ? 128 A 1 c
ATOM 1645 H HH11 . ARG Axp A 107 ? 119.368 22.881 10.285  1 73.961  ? 128 A 1 c
ATOM 1646 H HH12 . ARG Axp A 107 ? 118.061 23.312 9.607   1 73.872  ? 128 A 1 c
ATOM 1647 H HH21 . ARG Axp A 107 ? 119.352 21.057 7.244   1 86.268  ? 128 A 1 c
ATOM 1648 H HH22 . ARG Axp A 107 ? 118.026 21.271 7.983   1 86.203  ? 128 A 1 c
ATOM 1649 N N    . ALA Axp A 108 ? 126.109 24.624 7.376   1 67.613  ? 129 A 1 .
ATOM 1650 C CA   . ALA Axp A 108 ? 127.134 24.9   8.365   1 66.403  ? 129 A 1 .
ATOM 1651 C C    . ALA Axp A 108 ? 128.049 26.054 7.957   1 60.718  ? 129 A 1 .
ATOM 1652 O O    . ALA Axp A 108 ? 128.669 26.646 8.836   1 55.463  ? 129 A 1 .
ATOM 1653 C CB   . ALA Axp A 108 ? 127.934 23.643 8.588   1 68.317  ? 129 A 1 .
ATOM 1654 H H    . ALA Axp A 108 ? 126.211 23.879 6.857   1 66.643  ? 129 A 1 c
ATOM 1655 H HA   . ALA Axp A 108 ? 126.682 25.151 9.218   1 65.855  ? 129 A 1 c
ATOM 1656 H HB3  . ALA Axp A 108 ? 128.592 23.794 9.287   1 67.742  ? 129 A 1 c
ATOM 1657 H HB2  . ALA Axp A 108 ? 128.389 23.394 7.767   1 67.742  ? 129 A 1 c
ATOM 1658 H HB1  . ALA Axp A 108 ? 127.34  22.921 8.857   1 67.742  ? 129 A 1 c
ATOM 1659 N N    . THR Axp A 109 ? 128.164 26.344 6.649   1 62.612  ? 130 A 1 .
ATOM 1660 C CA   . THR Axp A 109 ? 129.1   27.36  6.178   1 67.815  ? 130 A 1 .
ATOM 1661 C C    . THR Axp A 109 ? 128.526 28.257 5.086   1 73.83   ? 130 A 1 .
ATOM 1662 O O    . THR Axp A 109 ? 129.269 29.065 4.548   1 79.704  ? 130 A 1 .
ATOM 1663 C CB   . THR Axp A 109 ? 130.363 26.703 5.636   1 71.521  ? 130 A 1 .
ATOM 1664 O OG1  . THR Axp A 109 ? 129.882 25.854 4.595   1 70.434  ? 130 A 1 .
ATOM 1665 C CG2  . THR Axp A 109 ? 131.138 25.989 6.729   1 83.373  ? 130 A 1 .
ATOM 1666 H H    . THR Axp A 109 ? 127.67  25.88  6.037   1 63.551  ? 130 A 1 c
ATOM 1667 H HA   . THR Axp A 109 ? 129.351 27.926 6.94    1 68.419  ? 130 A 1 c
ATOM 1668 H HB   . THR Axp A 109 ? 130.952 27.391 5.244   1 72.708  ? 130 A 1 c
ATOM 1669 H HG1  . THR Axp A 109 ? 129.37  25.097 4.992   0 53.92   ? 130 A 1 c
ATOM 1670 H HG21 . THR Axp A 109 ? 132.026 25.765 6.405   1 79.63   ? 130 A 1 c
ATOM 1671 H HG22 . THR Axp A 109 ? 130.67  25.175 6.98    1 79.555  ? 130 A 1 c
ATOM 1672 H HG23 . THR Axp A 109 ? 131.214 26.57  7.505   1 79.567  ? 130 A 1 c
ATOM 1673 N N    . SER Axp A 110 ? 127.237 28.147 4.755   1 76.953  ? 131 A 1 .
ATOM 1674 C CA   . SER Axp A 110 ? 126.662 28.975 3.708   1 73.387  ? 131 A 1 .
ATOM 1675 C C    . SER Axp A 110 ? 125.442 29.697 4.259   1 71.345  ? 131 A 1 .
ATOM 1676 O O    . SER Axp A 110 ? 124.376 29.109 4.384   1 73.541  ? 131 A 1 .
ATOM 1677 C CB   . SER Axp A 110 ? 126.309 28.164 2.485   1 76.867  ? 131 A 1 .
ATOM 1678 O OG   . SER Axp A 110 ? 125.907 28.982 1.39    1 74.703  ? 131 A 1 .
ATOM 1679 H H    . SER Axp A 110 ? 126.698 27.555 5.195   1 75.156  ? 131 A 1 c
ATOM 1680 H HA   . SER Axp A 110 ? 127.331 29.657 3.444   1 74.283  ? 131 A 1 c
ATOM 1681 H HB3  . SER Axp A 110 ? 125.595 27.545 2.708   1 75.276  ? 131 A 1 c
ATOM 1682 H HB2  . SER Axp A 110 ? 127.086 27.636 2.221   1 75.495  ? 131 A 1 c
ATOM 1683 H HG   . SER Axp A 110 ? 125.735 28.362 0.766   0 54.83   ? 131 A 1 c
ATOM 1684 N N    . VAL Axp A 111 ? 125.627 30.967 4.619   1 69.683  ? 132 A 1 .
ATOM 1685 C CA   . VAL Axp A 111 ? 124.52  31.802 5.043   1 65.984  ? 132 A 1 .
ATOM 1686 C C    . VAL Axp A 111 ? 123.415 31.761 3.988   1 63.421  ? 132 A 1 .
ATOM 1687 O O    . VAL Axp A 111 ? 122.242 31.643 4.337   1 71.322  ? 132 A 1 .
ATOM 1688 C CB   . VAL Axp A 111 ? 124.971 33.244 5.351   1 60.662  ? 132 A 1 .
ATOM 1689 C CG1  . VAL Axp A 111 ? 125.252 33.428 6.824   1 62.07   ? 132 A 1 .
ATOM 1690 C CG2  . VAL Axp A 111 ? 126.186 33.678 4.543   1 64.464  ? 132 A 1 .
ATOM 1691 H H    . VAL Axp A 111 ? 126.473 31.311 4.623   1 69.088  ? 132 A 1 c
ATOM 1692 H HA   . VAL Axp A 111 ? 124.16  31.418 5.867   1 65.201  ? 132 A 1 c
ATOM 1693 H HB   . VAL Axp A 111 ? 124.223 33.841 5.113   1 62.586  ? 132 A 1 c
ATOM 1694 H HG11 . VAL Axp A 111 ? 125.922 32.785 7.11    1 61.658  ? 132 A 1 c
ATOM 1695 H HG12 . VAL Axp A 111 ? 124.435 33.29  7.331   1 61.675  ? 132 A 1 c
ATOM 1696 H HG13 . VAL Axp A 111 ? 125.582 34.329 6.982   1 61.67   ? 132 A 1 c
ATOM 1697 H HG21 . VAL Axp A 111 ? 126.223 34.649 4.513   1 63.343  ? 132 A 1 c
ATOM 1698 H HG22 . VAL Axp A 111 ? 126.118 33.331 3.638   1 63.392  ? 132 A 1 c
ATOM 1699 H HG23 . VAL Axp A 111 ? 126.995 33.339 4.961   1 63.374  ? 132 A 1 c
ATOM 1700 N N    . GLU Axp A 112 ? 123.775 31.854 2.704   1 58.917  ? 133 A 1 .
ATOM 1701 C CA   . GLU Axp A 112 ? 122.745 31.88  1.685   1 64.636  ? 133 A 1 .
ATOM 1702 C C    . GLU Axp A 112 ? 121.869 30.653 1.904   1 63.606  ? 133 A 1 .
ATOM 1703 O O    . GLU Axp A 112 ? 120.644 30.783 1.973   1 61.56   ? 133 A 1 .
ATOM 1704 C CB   . GLU Axp A 112 ? 123.264 31.939 0.249   1 74.755  ? 133 A 1 .
ATOM 1705 C CG   . GLU Axp A 112 ? 124.157 33.132 -0.08   1 85.613  ? 133 A 1 .
ATOM 1706 C CD   . GLU Axp A 112 ? 125.637 32.77  -0.142  1 102.811 ? 133 A 1 .
ATOM 1707 O OE1  . GLU Axp A 112 ? 126.057 32.021 -1.065  1 111.801 ? 133 A 1 .
ATOM 1708 O OE2  . GLU Axp A 112 ? 126.376 33.228 0.757   1 105.048 ? 133 A 1 .
ATOM 1709 H H    . GLU Axp A 112 ? 124.655 31.902 2.463   1 61.593  ? 133 A 1 c
ATOM 1710 H HA   . GLU Axp A 112 ? 122.189 32.686 1.838   1 65.011  ? 133 A 1 c
ATOM 1711 H HB3  . GLU Axp A 112 ? 122.494 31.96  -0.358  1 74.654  ? 133 A 1 c
ATOM 1712 H HB2  . GLU Axp A 112 ? 123.762 31.116 0.064   1 74.883  ? 133 A 1 c
ATOM 1713 H HG3  . GLU Axp A 112 ? 124.032 33.827 0.601   1 86.532  ? 133 A 1 c
ATOM 1714 H HG2  . GLU Axp A 112 ? 123.889 33.507 -0.946  1 86.562  ? 133 A 1 c
ATOM 1715 N N    . VAL Axp A 113 ? 122.536 29.497 2.08    1 63.823  ? 134 A 1 .
ATOM 1716 C CA   . VAL Axp A 113 ? 121.899 28.201 2.29    1 65.512  ? 134 A 1 .
ATOM 1717 C C    . VAL Axp A 113 ? 121.149 28.155 3.622   1 69.396  ? 134 A 1 .
ATOM 1718 O O    . VAL Axp A 113 ? 120.069 27.577 3.727   1 67.362  ? 134 A 1 .
ATOM 1719 C CB   . VAL Axp A 113 ? 122.947 27.078 2.276   1 61.253  ? 134 A 1 .
ATOM 1720 C CG1  . VAL Axp A 113 ? 122.369 25.763 2.782   1 58.3    ? 134 A 1 .
ATOM 1721 C CG2  . VAL Axp A 113 ? 123.571 26.916 0.901   1 63.804  ? 134 A 1 .
ATOM 1722 H H    . VAL Axp A 113 ? 123.45  29.524 2.064   1 64.068  ? 134 A 1 c
ATOM 1723 H HA   . VAL Axp A 113 ? 121.262 28.046 1.566   1 65.069  ? 134 A 1 c
ATOM 1724 H HB   . VAL Axp A 113 ? 123.657 27.34  2.9     1 62.164  ? 134 A 1 c
ATOM 1725 H HG11 . VAL Axp A 113 ? 121.465 25.651 2.441   1 59.314  ? 134 A 1 c
ATOM 1726 H HG12 . VAL Axp A 113 ? 122.35  25.766 3.753   1 59.323  ? 134 A 1 c
ATOM 1727 H HG13 . VAL Axp A 113 ? 122.922 25.026 2.473   1 59.242  ? 134 A 1 c
ATOM 1728 H HG21 . VAL Axp A 113 ? 124.342 26.328 0.961   1 63.035  ? 134 A 1 c
ATOM 1729 H HG22 . VAL Axp A 113 ? 123.852 27.782 0.565   1 63.022  ? 134 A 1 c
ATOM 1730 H HG23 . VAL Axp A 113 ? 122.918 26.531 0.292   1 63.035  ? 134 A 1 c
ATOM 1731 N N    . ALA Axp A 114 ? 121.759 28.72  4.662   1 72.377  ? 135 A 1 .
ATOM 1732 C CA   . ALA Axp A 114 ? 121.152 28.741 5.984   1 68.764  ? 135 A 1 .
ATOM 1733 C C    . ALA Axp A 114 ? 119.804 29.463 5.934   1 63.526  ? 135 A 1 .
ATOM 1734 O O    . ALA Axp A 114 ? 118.791 28.927 6.38    1 64.219  ? 135 A 1 .
ATOM 1735 C CB   . ALA Axp A 114 ? 122.121 29.392 6.961   1 68.057  ? 135 A 1 .
ATOM 1736 H H    . ALA Axp A 114 ? 122.584 29.095 4.55    1 70.669  ? 135 A 1 c
ATOM 1737 H HA   . ALA Axp A 114 ? 120.989 27.8   6.265   1 68.468  ? 135 A 1 c
ATOM 1738 H HB3  . ALA Axp A 114 ? 121.782 29.301 7.867   1 68.263  ? 135 A 1 c
ATOM 1739 H HB2  . ALA Axp A 114 ? 122.217 30.335 6.746   1 68.247  ? 135 A 1 c
ATOM 1740 H HB1  . ALA Axp A 114 ? 122.989 28.958 6.898   1 68.275  ? 135 A 1 c
ATOM 1741 N N    . GLU Axp A 115 ? 119.813 30.681 5.381   1 60.554  ? 136 A 1 .
ATOM 1742 C CA   . GLU Axp A 115 ? 118.63  31.516 5.309   1 63.269  ? 136 A 1 .
ATOM 1743 C C    . GLU Axp A 115 ? 117.604 30.89  4.381   1 57.634  ? 136 A 1 .
ATOM 1744 O O    . GLU Axp A 115 ? 116.404 31.011 4.612   1 58.129  ? 136 A 1 .
ATOM 1745 C CB   . GLU Axp A 115 ? 118.97  32.901 4.775   1 72.639  ? 136 A 1 .
ATOM 1746 C CG   . GLU Axp A 115 ? 119.937 33.658 5.677   1 73.443  ? 136 A 1 .
ATOM 1747 C CD   . GLU Axp A 115 ? 120.08  35.091 5.224   1 77.96   ? 136 A 1 .
ATOM 1748 O OE1  . GLU Axp A 115 ? 120.216 35.365 4.007   1 65.946  ? 136 A 1 .
ATOM 1749 O OE2  . GLU Axp A 115 ? 120.042 35.934 6.137   1 97.368  ? 136 A 1 .
ATOM 1750 H H    . GLU Axp A 115 ? 120.595 31.001 5.031   1 62.178  ? 136 A 1 c
ATOM 1751 H HA   . GLU Axp A 115 ? 118.241 31.594 6.218   1 63.231  ? 136 A 1 c
ATOM 1752 H HB3  . GLU Axp A 115 ? 118.142 33.418 4.683   1 70.515  ? 136 A 1 c
ATOM 1753 H HB2  . GLU Axp A 115 ? 119.366 32.809 3.883   1 70.527  ? 136 A 1 c
ATOM 1754 H HG3  . GLU Axp A 115 ? 120.816 33.227 5.657   1 74.118  ? 136 A 1 c
ATOM 1755 H HG2  . GLU Axp A 115 ? 119.604 33.644 6.6     1 74.37   ? 136 A 1 c
ATOM 1756 N N    . LEU Axp A 116 ? 118.103 30.192 3.362   1 54.938  ? 137 A 1 .
ATOM 1757 C CA   . LEU Axp A 116 ? 117.239 29.56  2.381   1 54.597  ? 137 A 1 .
ATOM 1758 C C    . LEU Axp A 116 ? 116.33  28.556 3.072   1 50.57   ? 137 A 1 .
ATOM 1759 O O    . LEU Axp A 116 ? 115.11  28.629 2.94    1 52.444  ? 137 A 1 .
ATOM 1760 C CB   . LEU Axp A 116 ? 118.051 28.89  1.27    1 51.582  ? 137 A 1 .
ATOM 1761 C CG   . LEU Axp A 116 ? 117.261 28.085 0.232   1 47.835  ? 137 A 1 .
ATOM 1762 C CD1  . LEU Axp A 116 ? 115.941 28.686 -0.152  1 46.784  ? 137 A 1 .
ATOM 1763 C CD2  . LEU Axp A 116 ? 118.077 27.912 -1.023  1 48.462  ? 137 A 1 .
ATOM 1764 H H    . LEU Axp A 116 ? 119.008 30.117 3.263   1 55.652  ? 137 A 1 c
ATOM 1765 H HA   . LEU Axp A 116 ? 116.671 30.266 1.981   1 53.283  ? 137 A 1 c
ATOM 1766 H HB3  . LEU Axp A 116 ? 118.707 28.288 1.691   1 51.452  ? 137 A 1 c
ATOM 1767 H HB2  . LEU Axp A 116 ? 118.558 29.59  0.798   1 51.413  ? 137 A 1 c
ATOM 1768 H HG   . LEU Axp A 116 ? 117.087 27.184 0.609   1 48.424  ? 137 A 1 c
ATOM 1769 H HD11 . LEU Axp A 116 ? 115.254 28.385 0.463   1 47.357  ? 137 A 1 c
ATOM 1770 H HD12 . LEU Axp A 116 ? 115.707 28.408 -1.054  1 47.191  ? 137 A 1 c
ATOM 1771 H HD13 . LEU Axp A 116 ? 116.002 29.656 -0.121  1 47.255  ? 137 A 1 c
ATOM 1772 H HD21 . LEU Axp A 116 ? 118.987 27.665 -0.787  1 48.327  ? 137 A 1 c
ATOM 1773 H HD22 . LEU Axp A 116 ? 118.088 28.746 -1.522  1 48.306  ? 137 A 1 c
ATOM 1774 H HD23 . LEU Axp A 116 ? 117.685 27.213 -1.572  1 48.428  ? 137 A 1 c
ATOM 1775 N N    . TRP Axp A 117 ? 116.944 27.604 3.775   1 49.195  ? 138 A 1 .
ATOM 1776 C CA   . TRP Axp A 117 ? 116.188 26.518 4.369   1 51.281  ? 138 A 1 .
ATOM 1777 C C    . TRP Axp A 117 ? 115.274 27.064 5.453   1 53.056  ? 138 A 1 .
ATOM 1778 O O    . TRP Axp A 117 ? 114.131 26.631 5.604   1 49.133  ? 138 A 1 .
ATOM 1779 C CB   . TRP Axp A 117 ? 117.131 25.48  4.972   1 45.766  ? 138 A 1 .
ATOM 1780 C CG   . TRP Axp A 117 ? 116.419 24.243 5.413   1 41.037  ? 138 A 1 .
ATOM 1781 C CD1  . TRP Axp A 117 ? 116.31  23.761 6.673   1 42.75   ? 138 A 1 .
ATOM 1782 C CD2  . TRP Axp A 117 ? 115.748 23.303 4.563   1 45.2    ? 138 A 1 .
ATOM 1783 N NE1  . TRP Axp A 117 ? 115.611 22.585 6.67    1 46.106  ? 138 A 1 .
ATOM 1784 C CE2  . TRP Axp A 117 ? 115.271 22.27  5.389   1 46.978  ? 138 A 1 .
ATOM 1785 C CE3  . TRP Axp A 117 ? 115.537 23.211 3.188   1 51.457  ? 138 A 1 .
ATOM 1786 C CZ2  . TRP Axp A 117 ? 114.591 21.172 4.882   1 53.407  ? 138 A 1 .
ATOM 1787 C CZ3  . TRP Axp A 117 ? 114.861 22.122 2.681   1 51.538  ? 138 A 1 .
ATOM 1788 C CH2  . TRP Axp A 117 ? 114.404 21.114 3.516   1 54.273  ? 138 A 1 .
ATOM 1789 H H    . TRP Axp A 117 ? 117.851 27.629 3.884   1 50.014  ? 138 A 1 c
ATOM 1790 H HA   . TRP Axp A 117 ? 115.637 26.083 3.664   1 50.127  ? 138 A 1 c
ATOM 1791 H HB3  . TRP Axp A 117 ? 117.587 25.879 5.743   1 45.822  ? 138 A 1 c
ATOM 1792 H HB2  . TRP Axp A 117 ? 117.804 25.239 4.3     1 45.793  ? 138 A 1 c
ATOM 1793 H HD1  . TRP Axp A 117 ? 116.652 24.176 7.448   1 43.182  ? 138 A 1 c
ATOM 1794 H HE1  . TRP Axp A 117 ? 115.427 22.106 7.374   1 45.568  ? 138 A 1 c
ATOM 1795 H HE3  . TRP Axp A 117 ? 115.856 23.885 2.612   1 49.946  ? 138 A 1 c
ATOM 1796 H HZ2  . TRP Axp A 117 ? 114.274 20.49  5.449   1 51.955  ? 138 A 1 c
ATOM 1797 H HZ3  . TRP Axp A 117 ? 114.713 22.057 1.754   1 52.244  ? 138 A 1 c
ATOM 1798 H HH2  . TRP Axp A 117 ? 113.934 20.387 3.147   1 53.305  ? 138 A 1 c
ATOM 1799 N N    . SER Axp A 118 ? 115.829 28.003 6.217   1 53.018  ? 139 A 1 .
ATOM 1800 C CA   . SER Axp A 118 ? 115.116 28.548 7.345   1 53.306  ? 139 A 1 .
ATOM 1801 C C    . SER Axp A 118 ? 113.927 29.333 6.843   1 54.556  ? 139 A 1 .
ATOM 1802 O O    . SER Axp A 118 ? 112.851 29.25  7.419   1 52.307  ? 139 A 1 .
ATOM 1803 C CB   . SER Axp A 118 ? 115.96  29.412 8.166   1 60.019  ? 139 A 1 .
ATOM 1804 O OG   . SER Axp A 118 ? 115.17  29.851 9.255   1 64.199  ? 139 A 1 .
ATOM 1805 H H    . SER Axp A 118 ? 116.673 28.306 6.035   1 53.094  ? 139 A 1 c
ATOM 1806 H HA   . SER Axp A 118 ? 114.788 27.797 7.904   1 54.648  ? 139 A 1 c
ATOM 1807 H HB3  . SER Axp A 118 ? 116.265 30.177 7.642   1 59.294  ? 139 A 1 c
ATOM 1808 H HB2  . SER Axp A 118 ? 116.733 28.913 8.491   1 59.314  ? 139 A 1 c
ATOM 1809 H HG   . SER Axp A 118 ? 116.051 30.616 9.554   0 54.35   ? 139 A 1 c
ATOM 1810 N N    . THR Axp A 119 ? 114.139 30.106 5.778   1 58.285  ? 140 A 1 .
ATOM 1811 C CA   . THR Axp A 119 ? 113.046 30.883 5.213   1 61.852  ? 140 A 1 .
ATOM 1812 C C    . THR Axp A 119 ? 111.879 29.977 4.829   1 60.17   ? 140 A 1 .
ATOM 1813 O O    . THR Axp A 119 ? 110.727 30.385 4.909   1 62.944  ? 140 A 1 .
ATOM 1814 C CB   . THR Axp A 119 ? 113.485 31.674 3.988   1 60.244  ? 140 A 1 .
ATOM 1815 O OG1  . THR Axp A 119 ? 114.502 32.574 4.422   1 69.757  ? 140 A 1 .
ATOM 1816 C CG2  . THR Axp A 119 ? 112.3   32.403 3.383   1 57.432  ? 140 A 1 .
ATOM 1817 H H    . THR Axp A 119 ? 114.97  30.161 5.402   1 58.081  ? 140 A 1 c
ATOM 1818 H HA   . THR Axp A 119 ? 112.737 31.517 5.897   1 60.525  ? 140 A 1 c
ATOM 1819 H HB   . THR Axp A 119 ? 113.861 31.058 3.316   1 61.749  ? 140 A 1 c
ATOM 1820 H HG1  . THR Axp A 119 ? 114.234 33.158 5.183   0 45.52   ? 140 A 1 c
ATOM 1821 H HG21 . THR Axp A 119 ? 112.617 33.164 2.869   1 58.269  ? 140 A 1 c
ATOM 1822 H HG22 . THR Axp A 119 ? 111.712 32.716 4.091   1 58.32   ? 140 A 1 c
ATOM 1823 H HG23 . THR Axp A 119 ? 111.811 31.801 2.797   1 58.275  ? 140 A 1 c
ATOM 1824 N N    . PHE Axp A 120 ? 112.193 28.783 4.33    1 60.35   ? 141 A 1 .
ATOM 1825 C CA   . PHE Axp A 120 ? 111.177 27.884 3.822   1 63.265  ? 141 A 1 .
ATOM 1826 C C    . PHE Axp A 120 ? 110.486 27.202 4.97    1 63.884  ? 141 A 1 .
ATOM 1827 O O    . PHE Axp A 120 ? 109.288 27.368 5.155   1 70.632  ? 141 A 1 .
ATOM 1828 C CB   . PHE Axp A 120 ? 111.743 26.797 2.919   1 63.39   ? 141 A 1 .
ATOM 1829 C CG   . PHE Axp A 120 ? 111.62  27.309 1.505   1 65.693  ? 141 A 1 .
ATOM 1830 C CD1  . PHE Axp A 120 ? 112.494 28.281 1.04    1 66.409  ? 141 A 1 .
ATOM 1831 C CD2  . PHE Axp A 120 ? 110.556 26.924 0.713   1 62.204  ? 141 A 1 .
ATOM 1832 C CE1  . PHE Axp A 120 ? 112.343 28.81  -0.223  1 64.212  ? 141 A 1 .
ATOM 1833 C CE2  . PHE Axp A 120 ? 110.425 27.444 -0.553  1 67.657  ? 141 A 1 .
ATOM 1834 C CZ   . PHE Axp A 120 ? 111.314 28.387 -1.018  1 65.249  ? 141 A 1 .
ATOM 1835 H H    . PHE Axp A 120 ? 113.068 28.524 4.293   1 60.901  ? 141 A 1 c
ATOM 1836 H HA   . PHE Axp A 120 ? 110.507 28.412 3.311   1 62.87   ? 141 A 1 c
ATOM 1837 H HB3  . PHE Axp A 120 ? 111.22  25.97  3.024   1 63.851  ? 141 A 1 c
ATOM 1838 H HB2  . PHE Axp A 120 ? 112.687 26.637 3.14    1 63.841  ? 141 A 1 c
ATOM 1839 H HD1  . PHE Axp A 120 ? 113.2   28.576 1.59    1 65.411  ? 141 A 1 c
ATOM 1840 H HD2  . PHE Axp A 120 ? 109.943 26.28  1.027   1 64.214  ? 141 A 1 c
ATOM 1841 H HE1  . PHE Axp A 120 ? 112.962 29.446 -0.546  1 64.969  ? 141 A 1 c
ATOM 1842 H HE2  . PHE Axp A 120 ? 109.715 27.157 -1.105  1 65.729  ? 141 A 1 c
ATOM 1843 H HZ   . PHE Axp A 120 ? 111.219 28.735 -1.89   1 65.534  ? 141 A 1 c
ATOM 1844 N N    . MET Axp A 121 ? 111.294 26.448 5.704   1 61.018  ? 142 A 1 .
ATOM 1845 C CA   . MET Axp A 121 ? 110.845 25.75  6.89    1 63.139  ? 142 A 1 .
ATOM 1846 C C    . MET Axp A 121 ? 109.787 26.557 7.636   1 64.675  ? 142 A 1 .
ATOM 1847 O O    . MET Axp A 121 ? 108.827 25.983 8.135   1 67.833  ? 142 A 1 .
ATOM 1848 C CB   . MET Axp A 121 ? 112.033 25.485 7.813   1 58.652  ? 142 A 1 .
ATOM 1849 C CG   . MET Axp A 121 ? 112.96  24.437 7.27    1 56.448  ? 142 A 1 .
ATOM 1850 S SD   . MET Axp A 121 ? 112.153 22.846 7.478   1 53.512  ? 142 A 1 .
ATOM 1851 C CE   . MET Axp A 121 ? 112.186 22.786 9.278   1 56.427  ? 142 A 1 .
ATOM 1852 H H    . MET Axp A 121 ? 112.172 26.373 5.461   1 62.076  ? 142 A 1 c
ATOM 1853 H HA   . MET Axp A 121 ? 110.443 24.889 6.609   1 62.119  ? 142 A 1 c
ATOM 1854 H HB3  . MET Axp A 121 ? 111.698 25.204 8.69    1 59.195  ? 142 A 1 c
ATOM 1855 H HB2  . MET Axp A 121 ? 112.531 26.321 7.934   1 59.13   ? 142 A 1 c
ATOM 1856 H HG3  . MET Axp A 121 ? 113.806 24.446 7.758   1 56.318  ? 142 A 1 c
ATOM 1857 H HG2  . MET Axp A 121 ? 113.137 24.591 6.323   1 56.392  ? 142 A 1 c
ATOM 1858 H HE3  . MET Axp A 121 ? 111.325 23.077 9.629   1 55.72   ? 142 A 1 c
ATOM 1859 H HE2  . MET Axp A 121 ? 112.89  23.373 9.612   1 55.727  ? 142 A 1 c
ATOM 1860 H HE1  . MET Axp A 121 ? 112.363 21.872 9.569   1 55.702  ? 142 A 1 c
ATOM 1861 N N    . GLN Axp A 122 ? 109.942 27.881 7.697   1 59.347  ? 143 A 1 .
ATOM 1862 C CA   . GLN Axp A 122 ? 108.915 28.687 8.319   1 59.314  ? 143 A 1 .
ATOM 1863 C C    . GLN Axp A 122 ? 107.639 28.642 7.497   1 58.89   ? 143 A 1 .
ATOM 1864 O O    . GLN Axp A 122 ? 106.583 28.41  8.076   1 59.248  ? 143 A 1 .
ATOM 1865 C CB   . GLN Axp A 122 ? 109.314 30.14  8.458   1 63.002  ? 143 A 1 .
ATOM 1866 C CG   . GLN Axp A 122 ? 110.635 30.341 9.176   1 61.828  ? 143 A 1 .
ATOM 1867 C CD   . GLN Axp A 122 ? 110.84  31.811 9.387   1 69.449  ? 143 A 1 .
ATOM 1868 O OE1  . GLN Axp A 122 ? 109.916 32.523 9.779   1 90.564  ? 143 A 1 .
ATOM 1869 N NE2  . GLN Axp A 122 ? 112     32.307 9.022   1 77.221  ? 143 A 1 .
ATOM 1870 H H    . GLN Axp A 122 ? 110.693 28.281 7.363   1 60.656  ? 143 A 1 c
ATOM 1871 H HA   . GLN Axp A 122 ? 108.729 28.319 9.22    1 59.963  ? 143 A 1 c
ATOM 1872 H HB3  . GLN Axp A 122 ? 108.608 30.611 8.947   1 62.03   ? 143 A 1 c
ATOM 1873 H HB2  . GLN Axp A 122 ? 109.375 30.539 7.564   1 61.864  ? 143 A 1 c
ATOM 1874 H HG3  . GLN Axp A 122 ? 111.367 29.977 8.642   1 63.759  ? 143 A 1 c
ATOM 1875 H HG2  . GLN Axp A 122 ? 110.62  29.877 10.041  1 63.77   ? 143 A 1 c
ATOM 1876 H HE21 . GLN Axp A 122 ? 112.035 33.087 8.602   1 74.718  ? 143 A 1 c
ATOM 1877 H HE22 . GLN Axp A 122 ? 112.747 31.86  9.196   1 74.646  ? 143 A 1 c
ATOM 1878 N N    . LYS Axp A 123 ? 107.75  28.848 6.174   1 57.647  ? 144 A 1 .
ATOM 1879 C CA   . LYS Axp A 123 ? 106.585 28.859 5.303   1 63.989  ? 144 A 1 .
ATOM 1880 C C    . LYS Axp A 123 ? 105.879 27.499 5.333   1 61.326  ? 144 A 1 .
ATOM 1881 O O    . LYS Axp A 123 ? 104.671 27.411 5.14    1 50.288  ? 144 A 1 .
ATOM 1882 C CB   . LYS Axp A 123 ? 106.923 29.22  3.853   1 76.933  ? 144 A 1 .
ATOM 1883 C CG   . LYS Axp A 123 ? 105.663 29.474 3.001   1 94.944  ? 144 A 1 .
ATOM 1884 C CD   . LYS Axp A 123 ? 105.862 29.529 1.491   1 98.394  ? 144 A 1 .
ATOM 1885 C CE   . LYS Axp A 123 ? 107.03  30.401 1.141   1 104.13  ? 144 A 1 .
ATOM 1886 N NZ   . LYS Axp A 123 ? 107.122 30.658 -0.299  1 106.234 ? 144 A 1 .
ATOM 1887 H H    . LYS Axp A 123 ? 108.574 29.001 5.81    1 59.445  ? 144 A 1 c
ATOM 1888 H HA   . LYS Axp A 123 ? 105.954 29.541 5.648   1 64.354  ? 144 A 1 c
ATOM 1889 H HB3  . LYS Axp A 123 ? 107.438 28.49  3.449   1 77.302  ? 144 A 1 c
ATOM 1890 H HB2  . LYS Axp A 123 ? 107.48  30.027 3.844   1 77.466  ? 144 A 1 c
ATOM 1891 H HG3  . LYS Axp A 123 ? 105.266 30.323 3.293   1 91.145  ? 144 A 1 c
ATOM 1892 H HG2  . LYS Axp A 123 ? 105.011 28.77  3.198   1 90.702  ? 144 A 1 c
ATOM 1893 H HD3  . LYS Axp A 123 ? 105.051 29.888 1.067   1 98.875  ? 144 A 1 c
ATOM 1894 H HD2  . LYS Axp A 123 ? 106.019 28.624 1.149   1 98.604  ? 144 A 1 c
ATOM 1895 H HE3  . LYS Axp A 123 ? 107.855 29.973 1.433   1 103.119 ? 144 A 1 c
ATOM 1896 H HE2  . LYS Axp A 123 ? 106.95  31.252 1.609   1 103.202 ? 144 A 1 c
ATOM 1897 H HZ1  . LYS Axp A 123 ? 106.344 31.015 -0.597  1 105.536 ? 144 A 1 c
ATOM 1898 H HZ2  . LYS Axp A 123 ? 107.281 29.882 -0.738  1 105.571 ? 144 A 1 c
ATOM 1899 H HZ3  . LYS Axp A 123 ? 107.798 31.237 -0.464  1 105.571 ? 144 A 1 c
ATOM 1900 N N    . TRP Axp A 124 ? 106.636 26.424 5.562   1 64.471  ? 145 A 1 .
ATOM 1901 C CA   . TRP Axp A 124 ? 106.064 25.091 5.685   1 62.041  ? 145 A 1 .
ATOM 1902 C C    . TRP Axp A 124 ? 105.436 24.862 7.058   1 67.788  ? 145 A 1 .
ATOM 1903 O O    . TRP Axp A 124 ? 104.362 24.257 7.16    1 68.644  ? 145 A 1 .
ATOM 1904 C CB   . TRP Axp A 124 ? 107.135 24.039 5.381   1 55.202  ? 145 A 1 .
ATOM 1905 C CG   . TRP Axp A 124 ? 107.54  24.061 3.933   1 55.978  ? 145 A 1 .
ATOM 1906 C CD1  . TRP Axp A 124 ? 106.792 24.502 2.881   1 55.442  ? 145 A 1 .
ATOM 1907 C CD2  . TRP Axp A 124 ? 108.809 23.656 3.388   1 56.911  ? 145 A 1 .
ATOM 1908 N NE1  . TRP Axp A 124 ? 107.504 24.402 1.72    1 57.847  ? 145 A 1 .
ATOM 1909 C CE2  . TRP Axp A 124 ? 108.743 23.882 2.001   1 59.94   ? 145 A 1 .
ATOM 1910 C CE3  . TRP Axp A 124 ? 109.988 23.134 3.932   1 54.959  ? 145 A 1 .
ATOM 1911 C CZ2  . TRP Axp A 124 ? 109.817 23.596 1.164   1 59.32   ? 145 A 1 .
ATOM 1912 C CZ3  . TRP Axp A 124 ? 111.047 22.85  3.102   1 50.458  ? 145 A 1 .
ATOM 1913 C CH2  . TRP Axp A 124 ? 110.963 23.091 1.738   1 53.931  ? 145 A 1 .
ATOM 1914 H H    . TRP Axp A 124 ? 107.543 26.519 5.632   1 62.991  ? 145 A 1 c
ATOM 1915 H HA   . TRP Axp A 124 ? 105.346 25.001 5.004   1 61.994  ? 145 A 1 c
ATOM 1916 H HB3  . TRP Axp A 124 ? 106.779 23.152 5.602   1 56.923  ? 145 A 1 c
ATOM 1917 H HB2  . TRP Axp A 124 ? 107.922 24.217 5.939   1 56.91   ? 145 A 1 c
ATOM 1918 H HD1  . TRP Axp A 124 ? 105.911 24.835 2.932   1 56.223  ? 145 A 1 c
ATOM 1919 H HE1  . TRP Axp A 124 ? 107.212 24.619 0.927   1 57.722  ? 145 A 1 c
ATOM 1920 H HE3  . TRP Axp A 124 ? 110.052 22.973 4.858   1 54.347  ? 145 A 1 c
ATOM 1921 H HZ2  . TRP Axp A 124 ? 109.766 23.756 0.237   1 58.052  ? 145 A 1 c
ATOM 1922 H HZ3  . TRP Axp A 124 ? 111.844 22.498 3.465   1 52.404  ? 145 A 1 c
ATOM 1923 H HH2  . TRP Axp A 124 ? 111.699 22.885 1.189   1 54.358  ? 145 A 1 c
ATOM 1924 N N    . ILE Axp A 125 ? 106.115 25.325 8.112   1 61.535  ? 146 A 1 .
ATOM 1925 C CA   . ILE Axp A 125 ? 105.554 25.257 9.448   1 58.15   ? 146 A 1 .
ATOM 1926 C C    . ILE Axp A 125 ? 104.274 26.077 9.508   1 64.99   ? 146 A 1 .
ATOM 1927 O O    . ILE Axp A 125 ? 103.299 25.659 10.139  1 71.192  ? 146 A 1 .
ATOM 1928 C CB   . ILE Axp A 125 ? 106.556 25.743 10.501  1 55.422  ? 146 A 1 .
ATOM 1929 C CG1  . ILE Axp A 125 ? 107.624 24.675 10.725  1 57.687  ? 146 A 1 .
ATOM 1930 C CG2  . ILE Axp A 125 ? 105.841 26.139 11.799  1 52.948  ? 146 A 1 .
ATOM 1931 C CD1  . ILE Axp A 125 ? 108.774 25.093 11.626  1 55.129  ? 146 A 1 .
ATOM 1932 H H    . ILE Axp A 125 ? 106.948 25.683 7.997   1 62.088  ? 146 A 1 c
ATOM 1933 H HA   . ILE Axp A 125 ? 105.333 24.328 9.64    1 59.53   ? 146 A 1 c
ATOM 1934 H HB   . ILE Axp A 125 ? 106.999 26.539 10.146  1 55.904  ? 146 A 1 c
ATOM 1935 H HG12 . ILE Axp A 125 ? 107.986 24.404 9.857   1 56.644  ? 146 A 1 c
ATOM 1936 H HG13 . ILE Axp A 125 ? 107.194 23.894 11.123  1 56.511  ? 146 A 1 c
ATOM 1937 H HG21 . ILE Axp A 125 ? 106.498 26.293 12.497  1 53.736  ? 146 A 1 c
ATOM 1938 H HG22 . ILE Axp A 125 ? 105.241 25.425 12.074  1 53.737  ? 146 A 1 c
ATOM 1939 H HG23 . ILE Axp A 125 ? 105.33  26.954 11.658  1 53.745  ? 146 A 1 c
ATOM 1940 H HD11 . ILE Axp A 125 ? 109.003 26.023 11.439  1 56.11   ? 146 A 1 c
ATOM 1941 H HD12 . ILE Axp A 125 ? 109.55  24.527 11.451  1 55.933  ? 146 A 1 c
ATOM 1942 H HD13 . ILE Axp A 125 ? 108.513 25.006 12.561  1 55.957  ? 146 A 1 c
ATOM 1943 N N    . ALA Axp A 126 ? 104.313 27.262 8.889   1 62.91   ? 147 A 1 .
ATOM 1944 C CA   . ALA Axp A 126 ? 103.135 28.109 8.838   1 67.027  ? 147 A 1 .
ATOM 1945 C C    . ALA Axp A 126 ? 101.997 27.312 8.221   1 64.126  ? 147 A 1 .
ATOM 1946 O O    . ALA Axp A 126 ? 101.02  27.017 8.896   1 63.374  ? 147 A 1 .
ATOM 1947 C CB   . ALA Axp A 126 ? 103.409 29.375 8.06    1 77.3    ? 147 A 1 .
ATOM 1948 H H    . ALA Axp A 126 ? 105.088 27.552 8.501   1 64.396  ? 147 A 1 c
ATOM 1949 H HA   . ALA Axp A 126 ? 102.88  28.347 9.772   1 67.384  ? 147 A 1 c
ATOM 1950 H HB3  . ALA Axp A 126 ? 102.569 29.815 7.845   1 74.007  ? 147 A 1 c
ATOM 1951 H HB2  . ALA Axp A 126 ? 103.878 29.159 7.237   1 73.967  ? 147 A 1 c
ATOM 1952 H HB1  . ALA Axp A 126 ? 103.957 29.974 8.594   1 74.053  ? 147 A 1 c
ATOM 1953 N N    . TYR Axp A 127 ? 102.193 26.904 6.961   1 70.488  ? 148 A 1 .
ATOM 1954 C CA   . TYR Axp A 127 ? 101.202 26.131 6.234   1 66.727  ? 148 A 1 .
ATOM 1955 C C    . TYR Axp A 127 ? 100.61  25.055 7.153   1 60.156  ? 148 A 1 .
ATOM 1956 O O    . TYR Axp A 127 ? 99.391  24.923 7.261   1 58.749  ? 148 A 1 .
ATOM 1957 C CB   . TYR Axp A 127 ? 101.762 25.534 4.94    1 65.976  ? 148 A 1 .
ATOM 1958 C CG   . TYR Axp A 127 ? 100.607 24.942 4.152   1 70.535  ? 148 A 1 .
ATOM 1959 C CD1  . TYR Axp A 127 ? 99.784  25.757 3.395   1 74.175  ? 148 A 1 .
ATOM 1960 C CD2  . TYR Axp A 127 ? 100.266 23.598 4.261   1 74.821  ? 148 A 1 .
ATOM 1961 C CE1  . TYR Axp A 127 ? 98.687  25.237 2.723   1 88.81   ? 148 A 1 .
ATOM 1962 C CE2  . TYR Axp A 127 ? 99.168  23.066 3.603   1 79.45   ? 148 A 1 .
ATOM 1963 C CZ   . TYR Axp A 127 ? 98.37   23.889 2.828   1 90.747  ? 148 A 1 .
ATOM 1964 O OH   . TYR Axp A 127 ? 97.276  23.386 2.165   1 97.585  ? 148 A 1 .
ATOM 1965 H H    . TYR Axp A 127 ? 102.978 27.113 6.541   1 68.108  ? 148 A 1 c
ATOM 1966 H HA   . TYR Axp A 127 ? 100.468 26.749 5.986   1 66.093  ? 148 A 1 c
ATOM 1967 H HB3  . TYR Axp A 127 ? 102.413 24.83  5.158   1 67.156  ? 148 A 1 c
ATOM 1968 H HB2  . TYR Axp A 127 ? 102.197 26.242 4.414   1 67.156  ? 148 A 1 c
ATOM 1969 H HD1  . TYR Axp A 127 ? 99.979  26.677 3.322   1 76.546  ? 148 A 1 c
ATOM 1970 H HD2  . TYR Axp A 127 ? 100.798 23.031 4.797   1 74.998  ? 148 A 1 c
ATOM 1971 H HE1  . TYR Axp A 127 ? 98.147  25.803 2.199   1 85.384  ? 148 A 1 c
ATOM 1972 H HE2  . TYR Axp A 127 ? 98.969  22.148 3.678   1 80.796  ? 148 A 1 c
ATOM 1973 H HH   . TYR Axp A 127 ? 96.768  23.832 1.997   0 60      ? 148 A 1 c
ATOM 1974 N N    . THR Axp A 128 ? 101.452 24.309 7.873   1 53.581  ? 149 A 1 .
ATOM 1975 C CA   . THR Axp A 128 ? 100.898 23.333 8.8     1 61.158  ? 149 A 1 .
ATOM 1976 C C    . THR Axp A 128 ? 99.904  24.001 9.756   1 71.392  ? 149 A 1 .
ATOM 1977 O O    . THR Axp A 128 ? 98.734  23.614 9.822   1 71.692  ? 149 A 1 .
ATOM 1978 C CB   . THR Axp A 128 ? 101.974 22.594 9.59    1 60.175  ? 149 A 1 .
ATOM 1979 O OG1  . THR Axp A 128 ? 102.922 22.045 8.679   1 54.444  ? 149 A 1 .
ATOM 1980 C CG2  . THR Axp A 128 ? 101.344 21.493 10.427  1 57.042  ? 149 A 1 .
ATOM 1981 H H    . THR Axp A 128 ? 102.358 24.399 7.789   1 56.89   ? 149 A 1 c
ATOM 1982 H HA   . THR Axp A 128 ? 100.408 22.668 8.269   1 61.1    ? 149 A 1 c
ATOM 1983 H HB   . THR Axp A 128 ? 102.433 23.229 10.188  1 58.792  ? 149 A 1 c
ATOM 1984 H HG1  . THR Axp A 128 ? 102.467 21.469 8.175   0 40.74   ? 149 A 1 c
ATOM 1985 H HG21 . THR Axp A 128 ? 102.016 20.823 10.64   1 58.01   ? 149 A 1 c
ATOM 1986 H HG22 . THR Axp A 128 ? 100.621 21.076 9.929   1 58.04   ? 149 A 1 c
ATOM 1987 H HG23 . THR Axp A 128 ? 100.994 21.87  11.25   1 58.172  ? 149 A 1 c
ATOM 1988 N N    . ALA Axp A 129 ? 100.385 25.004 10.5    1 78.859  ? 150 A 1 .
ATOM 1989 C CA   . ALA Axp A 129 ? 99.574  25.719 11.481  1 80.766  ? 150 A 1 .
ATOM 1990 C C    . ALA Axp A 129 ? 98.245  26.184 10.881  1 69.676  ? 150 A 1 .
ATOM 1991 O O    . ALA Axp A 129 ? 97.181  25.998 11.467  1 63.615  ? 150 A 1 .
ATOM 1992 C CB   . ALA Axp A 129 ? 100.352 26.896 12.035  1 85.075  ? 150 A 1 .
ATOM 1993 H H    . ALA Axp A 129 ? 101.257 25.256 10.389  1 76.966  ? 150 A 1 c
ATOM 1994 H HA   . ALA Axp A 129 ? 99.371  25.09  12.227  1 78.995  ? 150 A 1 c
ATOM 1995 H HB3  . ALA Axp A 129 ? 99.903  27.243 12.824  1 83.696  ? 150 A 1 c
ATOM 1996 H HB2  . ALA Axp A 129 ? 100.408 27.597 11.364  1 83.528  ? 150 A 1 c
ATOM 1997 H HB1  . ALA Axp A 129 ? 101.249 26.611 12.276  1 83.606  ? 150 A 1 c
ATOM 1998 N N    . ALA Axp A 130 ? 98.298  26.788 9.696   1 69.017  ? 151 A 1 .
ATOM 1999 C CA   . ALA Axp A 130 ? 97.079  27.215 9.032   1 69.734  ? 151 A 1 .
ATOM 2000 C C    . ALA Axp A 130 ? 96.051  26.093 9.091   1 71.384  ? 151 A 1 .
ATOM 2001 O O    . ALA Axp A 130 ? 94.908  26.297 9.49    1 86.332  ? 151 A 1 .
ATOM 2002 C CB   . ALA Axp A 130 ? 97.356  27.614 7.602   1 69.103  ? 151 A 1 .
ATOM 2003 H H    . ALA Axp A 130 ? 99.104  26.942 9.295   1 69.458  ? 151 A 1 c
ATOM 2004 H HA   . ALA Axp A 130 ? 96.712  27.998 9.523   1 69.776  ? 151 A 1 c
ATOM 2005 H HB3  . ALA Axp A 130 ? 96.581  28.072 7.239   1 69.273  ? 151 A 1 c
ATOM 2006 H HB2  . ALA Axp A 130 ? 97.539  26.822 7.069   1 69.215  ? 151 A 1 c
ATOM 2007 H HB1  . ALA Axp A 130 ? 98.124  28.206 7.571   1 69.273  ? 151 A 1 c
ATOM 2008 N N    . VAL Axp A 131 ? 96.474  24.899 8.686   1 64.687  ? 152 A 1 .
ATOM 2009 C CA   . VAL Axp A 131 ? 95.554  23.79  8.588   1 59.296  ? 152 A 1 .
ATOM 2010 C C    . VAL Axp A 131 ? 95.132  23.365 9.984   1 65.008  ? 152 A 1 .
ATOM 2011 O O    . VAL Axp A 131 ? 93.957  23.459 10.303  1 70.302  ? 152 A 1 .
ATOM 2012 C CB   . VAL Axp A 131 ? 96.189  22.637 7.801   1 58.62   ? 152 A 1 .
ATOM 2013 C CG1  . VAL Axp A 131 ? 95.374  21.358 7.927   1 55.05   ? 152 A 1 .
ATOM 2014 C CG2  . VAL Axp A 131 ? 96.404  23.039 6.342   1 63.48   ? 152 A 1 .
ATOM 2015 H H    . VAL Axp A 131 ? 97.352  24.773 8.462   1 64.913  ? 152 A 1 c
ATOM 2016 H HA   . VAL Axp A 131 ? 94.761  24.092 8.103   1 61.429  ? 152 A 1 c
ATOM 2017 H HB   . VAL Axp A 131 ? 97.074  22.466 8.199   1 59.093  ? 152 A 1 c
ATOM 2018 H HG11 . VAL Axp A 131 ? 94.458  21.529 7.649   1 56.224  ? 152 A 1 c
ATOM 2019 H HG12 . VAL Axp A 131 ? 95.379  21.054 8.849   1 56.545  ? 152 A 1 c
ATOM 2020 H HG13 . VAL Axp A 131 ? 95.76   20.67  7.359   1 56.363  ? 152 A 1 c
ATOM 2021 H HG21 . VAL Axp A 131 ? 96.688  22.264 5.83    1 61.974  ? 152 A 1 c
ATOM 2022 H HG22 . VAL Axp A 131 ? 97.088  23.728 6.292   1 62.015  ? 152 A 1 c
ATOM 2023 H HG23 . VAL Axp A 131 ? 95.573  23.383 5.974   1 62.001  ? 152 A 1 c
ATOM 2024 N N    . ILE Axp A 132 ? 96.085  22.918 10.809  1 73.269  ? 153 A 1 .
ATOM 2025 C CA   . ILE Axp A 132 ? 95.775  22.465 12.155  1 73.782  ? 153 A 1 .
ATOM 2026 C C    . ILE Axp A 132 ? 94.844  23.464 12.841  1 73.987  ? 153 A 1 .
ATOM 2027 O O    . ILE Axp A 132 ? 94.16   23.09  13.785  1 78.047  ? 153 A 1 .
ATOM 2028 C CB   . ILE Axp A 132 ? 97.039  22.221 13.003  1 75.444  ? 153 A 1 .
ATOM 2029 C CG1  . ILE Axp A 132 ? 98.017  21.197 12.357  1 80.09   ? 153 A 1 .
ATOM 2030 C CG2  . ILE Axp A 132 ? 96.617  21.788 14.407  1 73.769  ? 153 A 1 .
ATOM 2031 C CD1  . ILE Axp A 132 ? 99.268  20.874 13.174  1 74.589  ? 153 A 1 .
ATOM 2032 H H    . ILE Axp A 132 ? 96.954  22.909 10.526  1 71.185  ? 153 A 1 c
ATOM 2033 H HA   . ILE Axp A 132 ? 95.3    21.615 12.079  1 74.023  ? 153 A 1 c
ATOM 2034 H HB   . ILE Axp A 132 ? 97.512  23.073 13.082  1 75.641  ? 153 A 1 c
ATOM 2035 H HG12 . ILE Axp A 132 ? 98.301  21.544 11.487  1 77.627  ? 153 A 1 c
ATOM 2036 H HG13 . ILE Axp A 132 ? 97.528  20.365 12.196  1 77.679  ? 153 A 1 c
ATOM 2037 H HG21 . ILE Axp A 132 ? 97.35   21.323 14.843  1 74.314  ? 153 A 1 c
ATOM 2038 H HG22 . ILE Axp A 132 ? 95.85   21.194 14.35   1 74.288  ? 153 A 1 c
ATOM 2039 H HG23 . ILE Axp A 132 ? 96.381  22.57  14.933  1 74.292  ? 153 A 1 c
ATOM 2040 H HD11 . ILE Axp A 132 ? 99.703  21.705 13.444  1 76.082  ? 153 A 1 c
ATOM 2041 H HD12 . ILE Axp A 132 ? 99.884  20.35  12.628  1 75.892  ? 153 A 1 c
ATOM 2042 H HD13 . ILE Axp A 132 ? 99.028  20.362 13.969  1 76.014  ? 153 A 1 c
ATOM 2043 N N    . ASP Axp A 133 ? 94.819  24.723 12.378  1 75.295  ? 154 A 1 .
ATOM 2044 C CA   . ASP Axp A 133 ? 93.884  25.708 12.91   1 86.231  ? 154 A 1 .
ATOM 2045 C C    . ASP Axp A 133 ? 92.471  25.445 12.38   1 88.371  ? 154 A 1 .
ATOM 2046 O O    . ASP Axp A 133 ? 91.572  25.037 13.115  1 80.583  ? 154 A 1 .
ATOM 2047 C CB   . ASP Axp A 133 ? 94.339  27.148 12.674  1 78.386  ? 154 A 1 .
ATOM 2048 C CG   . ASP Axp A 133 ? 93.342  28.235 13.085  1 80.606  ? 154 A 1 .
ATOM 2049 O OD1  . ASP Axp A 133 ? 92.706  28.112 14.15   1 84.671  ? 154 A 1 .
ATOM 2050 O OD2  . ASP Axp A 133 ? 93.196  29.219 12.344  1 89.722  ? 154 A 1 .
ATOM 2051 H H    . ASP Axp A 133 ? 95.422  24.989 11.745  1 77.132  ? 154 A 1 c
ATOM 2052 H HA   . ASP Axp A 133 ? 93.86   25.598 13.888  1 82.794  ? 154 A 1 c
ATOM 2053 H HB3  . ASP Axp A 133 ? 94.54   27.267 11.724  1 80.76   ? 154 A 1 c
ATOM 2054 H HB2  . ASP Axp A 133 ? 95.169  27.296 13.175  1 80.648  ? 154 A 1 c
ATOM 2055 N N    . ALA Axp A 134 ? 92.283  25.7   11.086  1 89.113  ? 155 A 1 .
ATOM 2056 C CA   . ALA Axp A 134 ? 90.97   25.634 10.483  1 94.455  ? 155 A 1 .
ATOM 2057 C C    . ALA Axp A 134 ? 90.408  24.232 10.644  1 90.131  ? 155 A 1 .
ATOM 2058 O O    . ALA Axp A 134 ? 89.218  24.025 10.471  1 96.952  ? 155 A 1 .
ATOM 2059 C CB   . ALA Axp A 134 ? 91.063  26.006 9.032   1 104.408 ? 155 A 1 .
ATOM 2060 H H    . ALA Axp A 134 ? 93.001  25.911 10.562  1 90.131  ? 155 A 1 c
ATOM 2061 H HA   . ALA Axp A 134 ? 90.37   26.275 10.955  1 94.19   ? 155 A 1 c
ATOM 2062 H HB3  . ALA Axp A 134 ? 90.234  26.427 8.749   1 101.272 ? 155 A 1 c
ATOM 2063 H HB2  . ALA Axp A 134 ? 91.215  25.208 8.498   1 101.217 ? 155 A 1 c
ATOM 2064 H HB1  . ALA Axp A 134 ? 91.799  26.625 8.896   1 101.137 ? 155 A 1 c
ATOM 2065 N N    . GLU Axp A 135 ? 91.286  23.273 10.934  1 84.921  ? 156 A 1 .
ATOM 2066 C CA   . GLU Axp A 135 ? 90.861  21.909 11.159  1 80.94   ? 156 A 1 .
ATOM 2067 C C    . GLU Axp A 135 ? 90.088  21.868 12.468  1 77.01   ? 156 A 1 .
ATOM 2068 O O    . GLU Axp A 135 ? 89.305  20.965 12.695  1 77.448  ? 156 A 1 .
ATOM 2069 C CB   . GLU Axp A 135 ? 92.095  21.007 11.218  1 86.99   ? 156 A 1 .
ATOM 2070 C CG   . GLU Axp A 135 ? 91.784  19.521 11.059  1 88.052  ? 156 A 1 .
ATOM 2071 C CD   . GLU Axp A 135 ? 91.359  19.134 9.658   1 84.035  ? 156 A 1 .
ATOM 2072 O OE1  . GLU Axp A 135 ? 90.332  19.699 9.207   1 74.36   ? 156 A 1 .
ATOM 2073 O OE2  . GLU Axp A 135 ? 92.076  18.306 9.027   1 82.075  ? 156 A 1 .
ATOM 2074 H H    . GLU Axp A 135 ? 92.179  23.464 10.961  1 85.328  ? 156 A 1 c
ATOM 2075 H HA   . GLU Axp A 135 ? 90.265  21.636 10.42   1 82.081  ? 156 A 1 c
ATOM 2076 H HB3  . GLU Axp A 135 ? 92.552  21.15  12.073  1 85.742  ? 156 A 1 c
ATOM 2077 H HB2  . GLU Axp A 135 ? 92.712  21.269 10.503  1 85.699  ? 156 A 1 c
ATOM 2078 H HG3  . GLU Axp A 135 ? 91.067  19.273 11.682  1 86.722  ? 156 A 1 c
ATOM 2079 H HG2  . GLU Axp A 135 ? 92.579  18.999 11.299  1 86.814  ? 156 A 1 c
ATOM 2080 N N    . ARG Axp A 136 ? 90.374  22.832 13.343  1 82.241  ? 157 A 1 .
ATOM 2081 C CA   . ARG Axp A 136 ? 89.734  22.926 14.64   1 80.576  ? 157 A 1 .
ATOM 2082 C C    . ARG Axp A 136 ? 88.439  23.713 14.498  1 71.727  ? 157 A 1 .
ATOM 2083 O O    . ARG Axp A 136 ? 87.459  23.367 15.13   1 73.409  ? 157 A 1 .
ATOM 2084 C CB   . ARG Axp A 136 ? 90.685  23.576 15.657  1 81.91   ? 157 A 1 .
ATOM 2085 C CG   . ARG Axp A 136 ? 91.857  22.709 16.1    1 72.556  ? 157 A 1 .
ATOM 2086 C CD   . ARG Axp A 136 ? 92.995  23.474 16.768  1 68.288  ? 157 A 1 .
ATOM 2087 N NE   . ARG Axp A 136 ? 93.972  22.554 17.368  1 69.878  ? 157 A 1 .
ATOM 2088 C CZ   . ARG Axp A 136 ? 95.155  22.882 17.891  1 66.929  ? 157 A 1 .
ATOM 2089 N NH1  . ARG Axp A 136 ? 95.577  24.125 17.847  1 63.68   ? 157 A 1 .
ATOM 2090 N NH2  . ARG Axp A 136 ? 95.928  21.96  18.438  1 69.608  ? 157 A 1 .
ATOM 2091 H H    . ARG Axp A 136 ? 91.017  23.445 13.134  1 80.657  ? 157 A 1 c
ATOM 2092 H HA   . ARG Axp A 136 ? 89.516  22.011 14.952  1 79.399  ? 157 A 1 c
ATOM 2093 H HB3  . ARG Axp A 136 ? 90.164  23.819 16.452  1 79.326  ? 157 A 1 c
ATOM 2094 H HB2  . ARG Axp A 136 ? 91.037  24.406 15.274  1 79.377  ? 157 A 1 c
ATOM 2095 H HG3  . ARG Axp A 136 ? 92.214  22.238 15.317  1 73.689  ? 157 A 1 c
ATOM 2096 H HG2  . ARG Axp A 136 ? 91.528  22.029 16.725  1 73.517  ? 157 A 1 c
ATOM 2097 H HD3  . ARG Axp A 136 ? 92.631  24.057 17.465  1 69.701  ? 157 A 1 c
ATOM 2098 H HD2  . ARG Axp A 136 ? 93.444  24.038 16.106  1 69.66   ? 157 A 1 c
ATOM 2099 H HE   . ARG Axp A 136 ? 93.763  21.709 17.387  1 68.867  ? 157 A 1 c
ATOM 2100 H HH11 . ARG Axp A 136 ? 95.694  24.522 17.066  1 64.662  ? 157 A 1 c
ATOM 2101 H HH12 . ARG Axp A 136 ? 95.743  24.56  18.599  1 64.662  ? 157 A 1 c
ATOM 2102 H HH21 . ARG Axp A 136 ? 96.004  21.167 18.055  1 68.773  ? 157 A 1 c
ATOM 2103 H HH22 . ARG Axp A 136 ? 96.366  22.141 19.184  1 68.773  ? 157 A 1 c
ATOM 2104 N N    . ASP Axp A 137 ? 88.463  24.772 13.684  1 71.076  ? 158 A 1 .
ATOM 2105 C CA   . ASP Axp A 137 ? 87.29   25.582 13.406  1 72.801  ? 158 A 1 .
ATOM 2106 C C    . ASP Axp A 137 ? 86.168  24.715 12.827  1 80.906  ? 158 A 1 .
ATOM 2107 O O    . ASP Axp A 137 ? 85.016  24.86  13.215  1 79.621  ? 158 A 1 .
ATOM 2108 C CB   . ASP Axp A 137 ? 87.652  26.743 12.489  1 77.515  ? 158 A 1 .
ATOM 2109 C CG   . ASP Axp A 137 ? 88.445  27.878 13.129  1 81.128  ? 158 A 1 .
ATOM 2110 O OD1  . ASP Axp A 137 ? 88.591  27.837 14.37   1 86.91   ? 158 A 1 .
ATOM 2111 O OD2  . ASP Axp A 137 ? 88.904  28.796 12.393  1 75.248  ? 158 A 1 .
ATOM 2112 H H    . ASP Axp A 137 ? 89.254  25.007 13.291  1 71.89   ? 158 A 1 c
ATOM 2113 H HA   . ASP Axp A 137 ? 86.973  25.961 14.257  1 74.806  ? 158 A 1 c
ATOM 2114 H HB3  . ASP Axp A 137 ? 86.824  27.124 12.129  1 77.249  ? 158 A 1 c
ATOM 2115 H HB2  . ASP Axp A 137 ? 88.172  26.396 11.735  1 77.286  ? 158 A 1 c
ATOM 2116 N N    . ARG Axp A 138 ? 86.506  23.801 11.91   1 88.433  ? 159 A 1 .
ATOM 2117 C CA   . ARG Axp A 138 ? 85.529  22.94  11.258  1 87.798  ? 159 A 1 .
ATOM 2118 C C    . ARG Axp A 138 ? 85.136  21.759 12.151  1 79.444  ? 159 A 1 .
ATOM 2119 O O    . ARG Axp A 138 ? 84.263  20.981 11.794  1 73.331  ? 159 A 1 .
ATOM 2120 C CB   . ARG Axp A 138 ? 86.05   22.388 9.925   1 90.862  ? 159 A 1 .
ATOM 2121 C CG   . ARG Axp A 138 ? 86.588  23.416 8.936   1 103.049 ? 159 A 1 .
ATOM 2122 C CD   . ARG Axp A 138 ? 86.985  22.848 7.54    1 113.233 ? 159 A 1 .
ATOM 2123 N NE   . ARG Axp A 138 ? 87.818  21.629 7.455   1 118.078 ? 159 A 1 .
ATOM 2124 C CZ   . ARG Axp A 138 ? 88.988  21.447 6.799   1 99.661  ? 159 A 1 .
ATOM 2125 N NH1  . ARG Axp A 138 ? 89.635  22.474 6.268   1 85.856  ? 159 A 1 .
ATOM 2126 N NH2  . ARG Axp A 138 ? 89.531  20.237 6.71    1 89.753  ? 159 A 1 .
ATOM 2127 H H    . ARG Axp A 138 ? 87.386  23.71  11.68   1 86.441  ? 159 A 1 c
ATOM 2128 H HA   . ARG Axp A 138 ? 84.717  23.477 11.074  1 86.799  ? 159 A 1 c
ATOM 2129 H HB3  . ARG Axp A 138 ? 85.321  21.895 9.491   1 92.665  ? 159 A 1 c
ATOM 2130 H HB2  . ARG Axp A 138 ? 86.764  21.743 10.118  1 92.692  ? 159 A 1 c
ATOM 2131 H HG3  . ARG Axp A 138 ? 87.37   23.855 9.328   1 102.015 ? 159 A 1 c
ATOM 2132 H HG2  . ARG Axp A 138 ? 85.907  24.112 8.806   1 102.195 ? 159 A 1 c
ATOM 2133 H HD3  . ARG Axp A 138 ? 87.445  23.568 7.063   1 111.729 ? 159 A 1 c
ATOM 2134 H HD2  . ARG Axp A 138 ? 86.151  22.681 7.056   1 111.919 ? 159 A 1 c
ATOM 2135 H HE   . ARG Axp A 138 ? 87.521  20.931 7.884   1 112.151 ? 159 A 1 c
ATOM 2136 H HH11 . ARG Axp A 138 ? 89.295  22.891 5.566   1 89.89   ? 159 A 1 c
ATOM 2137 H HH12 . ARG Axp A 138 ? 90.403  22.737 6.617   1 89.89   ? 159 A 1 c
ATOM 2138 H HH21 . ARG Axp A 138 ? 89.528  19.701 7.413   1 92.692  ? 159 A 1 c
ATOM 2139 H HH22 . ARG Axp A 138 ? 89.892  19.973 5.947   1 92.693  ? 159 A 1 c
ATOM 2140 N N    . GLY Axp A 139 ? 85.794  21.585 13.295  1 68.782  ? 160 A 1 .
ATOM 2141 C CA   . GLY Axp A 139 ? 85.283  20.667 14.289  1 67.798  ? 160 A 1 .
ATOM 2142 C C    . GLY Axp A 139 ? 86.044  19.345 14.354  1 73.087  ? 160 A 1 .
ATOM 2143 O O    . GLY Axp A 139 ? 85.871  18.613 15.322  1 94.259  ? 160 A 1 .
ATOM 2144 H H    . GLY Axp A 139 ? 86.58   22.023 13.452  1 71.133  ? 160 A 1 c
ATOM 2145 H HA3  . GLY Axp A 139 ? 84.333  20.483 14.099  1 69.266  ? 160 A 1 c
ATOM 2146 H HA2  . GLY Axp A 139 ? 85.328  21.105 15.171  1 69.199  ? 160 A 1 c
ATOM 2147 N N    . ALA Axp A 140 ? 86.896  19.031 13.368  1 79.466  ? 161 A 1 .
ATOM 2148 C CA   . ALA Axp A 140 ? 87.634  17.764 13.372  1 83.683  ? 161 A 1 .
ATOM 2149 C C    . ALA Axp A 140 ? 88.665  17.702 14.505  1 78.91   ? 161 A 1 .
ATOM 2150 O O    . ALA Axp A 140 ? 88.712  16.734 15.257  1 82.062  ? 161 A 1 .
ATOM 2151 C CB   . ALA Axp A 140 ? 88.303  17.505 12.031  1 78.348  ? 161 A 1 .
ATOM 2152 H H    . ALA Axp A 140 ? 87.023  19.613 12.675  1 78.642  ? 161 A 1 c
ATOM 2153 H HA   . ALA Axp A 140 ? 86.972  17.036 13.533  1 81      ? 161 A 1 c
ATOM 2154 H HB3  . ALA Axp A 140 ? 88.799  16.67  12.069  1 79.89   ? 161 A 1 c
ATOM 2155 H HB2  . ALA Axp A 140 ? 88.913  18.233 11.825  1 79.928  ? 161 A 1 c
ATOM 2156 H HB1  . ALA Axp A 140 ? 87.627  17.446 11.335  1 79.894  ? 161 A 1 c
ATOM 2157 N N    . ALA Axp A 141 ? 89.501  18.731 14.63   1 75.612  ? 162 A 1 .
ATOM 2158 C CA   . ALA Axp A 141 ? 90.644  18.659 15.52   1 75      ? 162 A 1 .
ATOM 2159 C C    . ALA Axp A 141 ? 90.305  19.189 16.908  1 64.207  ? 162 A 1 .
ATOM 2160 O O    . ALA Axp A 141 ? 89.687  20.242 17.05   1 66.143  ? 162 A 1 .
ATOM 2161 C CB   . ALA Axp A 141 ? 91.803  19.425 14.916  1 86.614  ? 162 A 1 .
ATOM 2162 H H    . ALA Axp A 141 ? 89.356  19.496 14.152  1 76.426  ? 162 A 1 c
ATOM 2163 H HA   . ALA Axp A 141 ? 90.905  17.703 15.605  1 74.849  ? 162 A 1 c
ATOM 2164 H HB3  . ALA Axp A 141 ? 92.442  19.656 15.612  1 82.823  ? 162 A 1 c
ATOM 2165 H HB2  . ALA Axp A 141 ? 91.476  20.238 14.498  1 82.772  ? 162 A 1 c
ATOM 2166 H HB1  . ALA Axp A 141 ? 92.244  18.875 14.247  1 82.92   ? 162 A 1 c
ATOM 2167 N N    . PRO Axp A 142 ? 90.818  18.537 17.97   1 62.814  ? 163 A 1 .
ATOM 2168 C CA   . PRO Axp A 142 ? 90.756  19.087 19.317  1 67.088  ? 163 A 1 .
ATOM 2169 C C    . PRO Axp A 142 ? 91.737  20.237 19.518  1 76.266  ? 163 A 1 .
ATOM 2170 O O    . PRO Axp A 142 ? 92.875  20.167 19.049  1 87.084  ? 163 A 1 .
ATOM 2171 C CB   . PRO Axp A 142 ? 91.145  17.921 20.219  1 65.455  ? 163 A 1 .
ATOM 2172 C CG   . PRO Axp A 142 ? 92.104  17.159 19.333  1 74.39   ? 163 A 1 .
ATOM 2173 C CD   . PRO Axp A 142 ? 91.609  17.304 17.909  1 69.945  ? 163 A 1 .
ATOM 2174 H HA   . PRO Axp A 142 ? 89.842  19.382 19.516  1 67.626  ? 163 A 1 c
ATOM 2175 H HB3  . PRO Axp A 142 ? 90.367  17.378 20.45   1 67.764  ? 163 A 1 c
ATOM 2176 H HB2  . PRO Axp A 142 ? 91.585  18.233 21.034  1 67.801  ? 163 A 1 c
ATOM 2177 H HG3  . PRO Axp A 142 ? 92.123  16.218 19.589  1 71.309  ? 163 A 1 c
ATOM 2178 H HG2  . PRO Axp A 142 ? 93.008  17.521 19.416  1 71.338  ? 163 A 1 c
ATOM 2179 H HD3  . PRO Axp A 142 ? 92.353  17.403 17.287  1 69.215  ? 163 A 1 c
ATOM 2180 H HD2  . PRO Axp A 142 ? 91.056  16.545 17.64   1 69.197  ? 163 A 1 c
ATOM 2181 N N    . ARG Axp A 143 ? 91.276  21.269 20.241  1 79.51   ? 164 A 1 .
ATOM 2182 C CA   . ARG Axp A 143 ? 92.073  22.433 20.617  1 75.935  ? 164 A 1 .
ATOM 2183 C C    . ARG Axp A 143 ? 93.019  22.127 21.789  1 75.274  ? 164 A 1 .
ATOM 2184 O O    . ARG Axp A 143 ? 92.71   22.423 22.947  1 72.321  ? 164 A 1 .
ATOM 2185 C CB   . ARG Axp A 143 ? 91.087  23.569 20.914  1 71.395  ? 164 A 1 .
ATOM 2186 C CG   . ARG Axp A 143 ? 90.259  23.922 19.689  1 71.118  ? 164 A 1 .
ATOM 2187 C CD   . ARG Axp A 143 ? 89.372  25.124 19.945  1 71.105  ? 164 A 1 .
ATOM 2188 N NE   . ARG Axp A 143 ? 88.86   25.715 18.704  1 76.651  ? 164 A 1 .
ATOM 2189 C CZ   . ARG Axp A 143 ? 89.605  26.354 17.8    1 78.973  ? 164 A 1 .
ATOM 2190 N NH1  . ARG Axp A 143 ? 90.912  26.409 17.962  1 84.567  ? 164 A 1 .
ATOM 2191 N NH2  . ARG Axp A 143 ? 89.061  26.941 16.742  1 74.177  ? 164 A 1 .
ATOM 2192 H H    . ARG Axp A 143 ? 90.409  21.236 20.527  1 77.553  ? 164 A 1 c
ATOM 2193 H HA   . ARG Axp A 143 ? 92.62   22.696 19.834  1 75.68   ? 164 A 1 c
ATOM 2194 H HB3  . ARG Axp A 143 ? 91.586  24.362 21.207  1 72.338  ? 164 A 1 c
ATOM 2195 H HB2  . ARG Axp A 143 ? 90.488  23.299 21.643  1 72.364  ? 164 A 1 c
ATOM 2196 H HG3  . ARG Axp A 143 ? 89.696  23.157 19.443  1 71.282  ? 164 A 1 c
ATOM 2197 H HG2  . ARG Axp A 143 ? 90.858  24.114 18.937  1 71.291  ? 164 A 1 c
ATOM 2198 H HD3  . ARG Axp A 143 ? 89.882  25.801 20.436  1 72.429  ? 164 A 1 c
ATOM 2199 H HD2  . ARG Axp A 143 ? 88.618  24.851 20.506  1 72.389  ? 164 A 1 c
ATOM 2200 H HE   . ARG Axp A 143 ? 88.007  25.645 18.542  1 75.855  ? 164 A 1 c
ATOM 2201 H HH11 . ARG Axp A 143 ? 91.251  26.807 18.676  1 82.704  ? 164 A 1 c
ATOM 2202 H HH12 . ARG Axp A 143 ? 91.444  26.053 17.354  1 82.667  ? 164 A 1 c
ATOM 2203 H HH21 . ARG Axp A 143 ? 88.26   27.309 16.808  1 75.636  ? 164 A 1 c
ATOM 2204 H HH22 . ARG Axp A 143 ? 89.502  26.962 15.976  1 75.683  ? 164 A 1 c
ATOM 2205 N N    . THR Axp A 144 ? 94.195  21.556 21.466  1 74.852  ? 165 A 1 .
ATOM 2206 C CA   . THR Axp A 144 ? 95.274  21.305 22.415  1 67.146  ? 165 A 1 .
ATOM 2207 C C    . THR Axp A 144 ? 96.338  22.38  22.234  1 64.795  ? 165 A 1 .
ATOM 2208 O O    . THR Axp A 144 ? 96.104  23.571 22.403  1 68.612  ? 165 A 1 .
ATOM 2209 C CB   . THR Axp A 144 ? 95.895  19.915 22.22   1 61.373  ? 165 A 1 .
ATOM 2210 O OG1  . THR Axp A 144 ? 95.964  19.598 20.831  1 59.48   ? 165 A 1 .
ATOM 2211 C CG2  . THR Axp A 144 ? 95.103  18.813 22.886  1 64.343  ? 165 A 1 .
ATOM 2212 H H    . THR Axp A 144 ? 94.327  21.308 20.596  1 73.168  ? 165 A 1 c
ATOM 2213 H HA   . THR Axp A 144 ? 94.913  21.364 23.326  1 67.083  ? 165 A 1 c
ATOM 2214 H HB   . THR Axp A 144 ? 96.8    19.886 22.611  1 62.605  ? 165 A 1 c
ATOM 2215 H HG1  . THR Axp A 144 ? 95.087  19.76  20.641  0 49.22   ? 165 A 1 c
ATOM 2216 H HG21 . THR Axp A 144 ? 95.133  18.011 22.336  1 63.484  ? 165 A 1 c
ATOM 2217 H HG22 . THR Axp A 144 ? 94.179  19.095 22.993  1 63.476  ? 165 A 1 c
ATOM 2218 H HG23 . THR Axp A 144 ? 95.485  18.62  23.759  1 63.46   ? 165 A 1 c
ATOM 2219 N N    . LEU Axp A 145 ? 97.516  21.931 21.84   1 65.867  ? 166 A 1 .
ATOM 2220 C CA   . LEU Axp A 145 ? 98.664  22.802 21.72   1 68.542  ? 166 A 1 .
ATOM 2221 C C    . LEU Axp A 145 ? 98.451  23.91  20.684  1 58.836  ? 166 A 1 .
ATOM 2222 O O    . LEU Axp A 145 ? 97.787  23.704 19.662  1 55.541  ? 166 A 1 .
ATOM 2223 C CB   . LEU Axp A 145 ? 99.836  21.912 21.317  1 74.732  ? 166 A 1 .
ATOM 2224 C CG   . LEU Axp A 145 ? 100.561 21.201 22.454  1 72.491  ? 166 A 1 .
ATOM 2225 C CD1  . LEU Axp A 145 ? 101.265 19.984 21.895  1 76.749  ? 166 A 1 .
ATOM 2226 C CD2  . LEU Axp A 145 ? 101.521 22.217 23.061  1 75.661  ? 166 A 1 .
ATOM 2227 H H    . LEU Axp A 145 ? 97.609  21.055 21.601  1 66.245  ? 166 A 1 c
ATOM 2228 H HA   . LEU Axp A 145 ? 98.841  23.2   22.605  1 66.866  ? 166 A 1 c
ATOM 2229 H HB3  . LEU Axp A 145 ? 100.489 22.466 20.83   1 72.688  ? 166 A 1 c
ATOM 2230 H HB2  . LEU Axp A 145 ? 99.507  21.234 20.683  1 72.676  ? 166 A 1 c
ATOM 2231 H HG   . LEU Axp A 145 ? 99.899  20.919 23.137  1 74.256  ? 166 A 1 c
ATOM 2232 H HD11 . LEU Axp A 145 ? 100.607 19.319 21.635  1 75.34   ? 166 A 1 c
ATOM 2233 H HD12 . LEU Axp A 145 ? 101.854 19.612 22.571  1 75.236  ? 166 A 1 c
ATOM 2234 H HD13 . LEU Axp A 145 ? 101.789 20.24  21.117  1 75.39   ? 166 A 1 c
ATOM 2235 H HD21 . LEU Axp A 145 ? 101.03  23.012 23.321  1 74.348  ? 166 A 1 c
ATOM 2236 H HD22 . LEU Axp A 145 ? 102.199 22.455 22.406  1 74.619  ? 166 A 1 c
ATOM 2237 H HD23 . LEU Axp A 145 ? 101.95  21.831 23.843  1 74.655  ? 166 A 1 c
ATOM 2238 N N    . PRO Axp A 146 ? 99.097  25.076 20.924  1 48.75   ? 167 A 1 .
ATOM 2239 C CA   . PRO Axp A 146 ? 99.118  26.216 20.015  1 51.155  ? 167 A 1 .
ATOM 2240 C C    . PRO Axp A 146 ? 99.666  25.9   18.63   1 56.931  ? 167 A 1 .
ATOM 2241 O O    . PRO Axp A 146 ? 100.877 25.832 18.419  1 55.744  ? 167 A 1 .
ATOM 2242 C CB   . PRO Axp A 146 ? 100.018 27.22  20.729  1 50.344  ? 167 A 1 .
ATOM 2243 C CG   . PRO Axp A 146 ? 99.898  26.811 22.171  1 50.261  ? 167 A 1 .
ATOM 2244 C CD   . PRO Axp A 146 ? 99.877  25.339 22.138  1 49.718  ? 167 A 1 .
ATOM 2245 H HA   . PRO Axp A 146 ? 98.214  26.585 19.935  1 51.672  ? 167 A 1 c
ATOM 2246 H HB3  . PRO Axp A 146 ? 99.699  28.134 20.595  1 50.518  ? 167 A 1 c
ATOM 2247 H HB2  . PRO Axp A 146 ? 100.943 27.152 20.422  1 50.572  ? 167 A 1 c
ATOM 2248 H HG3  . PRO Axp A 146 ? 99.074  27.16  22.566  1 50.153  ? 167 A 1 c
ATOM 2249 H HG2  . PRO Axp A 146 ? 100.661 27.134 22.691  1 50.153  ? 167 A 1 c
ATOM 2250 H HD3  . PRO Axp A 146 ? 100.777 24.967 22.064  1 49.796  ? 167 A 1 c
ATOM 2251 H HD2  . PRO Axp A 146 ? 99.436  24.977 22.929  1 49.867  ? 167 A 1 c
ATOM 2252 N N    . ALA Axp A 147 ? 98.742  25.741 17.689  1 63.041  ? 168 A 1 .
ATOM 2253 C CA   . ALA Axp A 147 ? 99.038  25.232 16.361  1 72.12   ? 168 A 1 .
ATOM 2254 C C    . ALA Axp A 147 ? 100.491 25.431 15.947  1 72.189  ? 168 A 1 .
ATOM 2255 O O    . ALA Axp A 147 ? 101.184 24.447 15.714  1 81.333  ? 168 A 1 .
ATOM 2256 C CB   . ALA Axp A 147 ? 98.124  25.884 15.383  1 81.614  ? 168 A 1 .
ATOM 2257 H H    . ALA Axp A 147 ? 97.876  25.961 17.883  1 63.332  ? 168 A 1 c
ATOM 2258 H HA   . ALA Axp A 147 ? 98.854  24.252 16.364  1 71.966  ? 168 A 1 c
ATOM 2259 H HB3  . ALA Axp A 147 ? 98.393  25.653 14.478  1 78.584  ? 168 A 1 c
ATOM 2260 H HB2  . ALA Axp A 147 ? 98.162  26.849 15.492  1 78.578  ? 168 A 1 c
ATOM 2261 H HB1  . ALA Axp A 147 ? 97.213  25.58  15.534  1 78.613  ? 168 A 1 c
ATOM 2262 N N    . HIS Axp A 148 ? 100.933 26.688 15.821  1 70.049  ? 169 A 1 .
ATOM 2263 C CA   . HIS Axp A 148 ? 102.272 26.973 15.322  1 76.913  ? 169 A 1 .
ATOM 2264 C C    . HIS Axp A 148 ? 103.333 26.116 16.028  1 70.826  ? 169 A 1 .
ATOM 2265 O O    . HIS Axp A 148 ? 104.265 25.582 15.407  1 57.812  ? 169 A 1 .
ATOM 2266 C CB   . HIS Axp A 148 ? 102.565 28.469 15.467  1 77.586  ? 169 A 1 .
ATOM 2267 C CG   . HIS Axp A 148 ? 103.636 28.95  14.546  1 76.9    ? 169 A 1 .
ATOM 2268 N ND1  . HIS Axp A 148 ? 104.966 28.928 14.901  1 68.905  ? 169 A 1 .
ATOM 2269 C CD2  . HIS Axp A 148 ? 103.573 29.452 13.288  1 71.548  ? 169 A 1 .
ATOM 2270 C CE1  . HIS Axp A 148 ? 105.672 29.412 13.883  1 73.951  ? 169 A 1 .
ATOM 2271 N NE2  . HIS Axp A 148 ? 104.848 29.737 12.896  1 66.131  ? 169 A 1 .
ATOM 2272 H H    . HIS Axp A 148 ? 100.389 27.383 16.057  1 72.225  ? 169 A 1 c
ATOM 2273 H HA   . HIS Axp A 148 ? 102.285 26.745 14.36   1 74.578  ? 169 A 1 c
ATOM 2274 H HB3  . HIS Axp A 148 ? 102.834 28.651 16.393  1 77.221  ? 169 A 1 c
ATOM 2275 H HB2  . HIS Axp A 148 ? 101.741 28.972 15.286  1 77.183  ? 169 A 1 c
ATOM 2276 H HD1  . HIS Axp A 148 ? 105.268 28.491 15.611  0 45.89   ? 169 A 1 c
ATOM 2277 H HD2  . HIS Axp A 148 ? 102.799 29.588 12.778  1 71.468  ? 169 A 1 c
ATOM 2278 H HE1  . HIS Axp A 148 ? 106.609 29.506 13.871  1 70.927  ? 169 A 1 c
ATOM 2279 H HE2  . HIS Axp A 148 ? 105.243 30.103 12.16   0 46.12   ? 169 A 1 c
ATOM 2280 N N    . GLU Axp A 149 ? 103.165 25.984 17.345  1 60.97   ? 170 A 1 .
ATOM 2281 C CA   . GLU Axp A 149 ? 104.123 25.273 18.159  1 54.887  ? 170 A 1 .
ATOM 2282 C C    . GLU Axp A 149 ? 104.024 23.783 17.902  1 53.944  ? 170 A 1 .
ATOM 2283 O O    . GLU Axp A 149 ? 105.021 23.078 18.002  1 57.081  ? 170 A 1 .
ATOM 2284 C CB   . GLU Axp A 149 ? 103.843 25.547 19.628  1 55.391  ? 170 A 1 .
ATOM 2285 C CG   . GLU Axp A 149 ? 104.128 26.997 19.992  1 58.688  ? 170 A 1 .
ATOM 2286 C CD   . GLU Axp A 149 ? 103.858 27.223 21.454  1 61.867  ? 170 A 1 .
ATOM 2287 O OE1  . GLU Axp A 149 ? 103.467 26.241 22.159  1 63.608  ? 170 A 1 .
ATOM 2288 O OE2  . GLU Axp A 149 ? 104.019 28.395 21.845  1 56.648  ? 170 A 1 .
ATOM 2289 H H    . GLU Axp A 149 ? 102.436 26.36  17.749  1 61.74   ? 170 A 1 c
ATOM 2290 H HA   . GLU Axp A 149 ? 105.035 25.586 17.928  1 56.022  ? 170 A 1 c
ATOM 2291 H HB3  . GLU Axp A 149 ? 104.407 24.958 20.172  1 56.047  ? 170 A 1 c
ATOM 2292 H HB2  . GLU Axp A 149 ? 102.908 25.33  19.821  1 56.081  ? 170 A 1 c
ATOM 2293 H HG3  . GLU Axp A 149 ? 103.555 27.592 19.462  1 58.667  ? 170 A 1 c
ATOM 2294 H HG2  . GLU Axp A 149 ? 105.066 27.209 19.8    1 58.642  ? 170 A 1 c
ATOM 2295 N N    . LEU Axp A 150 ? 102.813 23.304 17.625  1 57.435  ? 171 A 1 .
ATOM 2296 C CA   . LEU Axp A 150 ? 102.622 21.89  17.345  1 62.352  ? 171 A 1 .
ATOM 2297 C C    . LEU Axp A 150 ? 103.21  21.622 15.971  1 61.541  ? 171 A 1 .
ATOM 2298 O O    . LEU Axp A 150 ? 104.049 20.729 15.8    1 58.783  ? 171 A 1 .
ATOM 2299 C CB   . LEU Axp A 150 ? 101.149 21.477 17.409  1 61.757  ? 171 A 1 .
ATOM 2300 C CG   . LEU Axp A 150 ? 100.828 20.045 16.972  1 57.919  ? 171 A 1 .
ATOM 2301 C CD1  . LEU Axp A 150 ? 101.807 19.015 17.521  1 53.037  ? 171 A 1 .
ATOM 2302 C CD2  . LEU Axp A 150 ? 99.413  19.706 17.419  1 59.094  ? 171 A 1 .
ATOM 2303 H H    . LEU Axp A 150 ? 102.088 23.859 17.623  1 57.74   ? 171 A 1 c
ATOM 2304 H HA   . LEU Axp A 150 ? 103.133 21.369 18.016  1 60.959  ? 171 A 1 c
ATOM 2305 H HB3  . LEU Axp A 150 ? 100.632 22.096 16.844  1 61.077  ? 171 A 1 c
ATOM 2306 H HB2  . LEU Axp A 150 ? 100.839 21.595 18.336  1 61.002  ? 171 A 1 c
ATOM 2307 H HG   . LEU Axp A 150 ? 100.857 20.006 15.981  1 57.888  ? 171 A 1 c
ATOM 2308 H HD11 . LEU Axp A 150 ? 102.582 18.959 16.939  1 54.573  ? 171 A 1 c
ATOM 2309 H HD12 . LEU Axp A 150 ? 101.374 18.146 17.565  1 54.538  ? 171 A 1 c
ATOM 2310 H HD13 . LEU Axp A 150 ? 102.091 19.279 18.412  1 54.584  ? 171 A 1 c
ATOM 2311 H HD21 . LEU Axp A 150 ? 98.802  20.399 17.117  1 58.77   ? 171 A 1 c
ATOM 2312 H HD22 . LEU Axp A 150 ? 99.384  19.651 18.389  1 58.757  ? 171 A 1 c
ATOM 2313 H HD23 . LEU Axp A 150 ? 99.148  18.852 17.039  1 58.782  ? 171 A 1 c
ATOM 2314 N N    . ALA Axp A 151 ? 102.728 22.433 15.021  1 61.015  ? 172 A 1 .
ATOM 2315 C CA   . ALA Axp A 151 ? 103.192 22.408 13.65   1 55.447  ? 172 A 1 .
ATOM 2316 C C    . ALA Axp A 151 ? 104.72  22.372 13.643  1 56.067  ? 172 A 1 .
ATOM 2317 O O    . ALA Axp A 151 ? 105.323 21.518 12.99   1 46.683  ? 172 A 1 .
ATOM 2318 C CB   . ALA Axp A 151 ? 102.64  23.603 12.917  1 53.665  ? 172 A 1 .
ATOM 2319 H H    . ALA Axp A 151 ? 102.069 23.026 15.244  1 59.754  ? 172 A 1 c
ATOM 2320 H HA   . ALA Axp A 151 ? 102.856 21.573 13.22   1 56.269  ? 172 A 1 c
ATOM 2321 H HB3  . ALA Axp A 151 ? 103.159 23.761 12.111  1 54.29   ? 172 A 1 c
ATOM 2322 H HB2  . ALA Axp A 151 ? 102.691 24.389 13.487  1 54.403  ? 172 A 1 c
ATOM 2323 H HB1  . ALA Axp A 151 ? 101.713 23.442 12.677  1 54.276  ? 172 A 1 c
ATOM 2324 N N    . THR Axp A 152 ? 105.348 23.275 14.412  1 61.46   ? 173 A 1 .
ATOM 2325 C CA   . THR Axp A 152 ? 106.806 23.351 14.442  1 63.015  ? 173 A 1 .
ATOM 2326 C C    . THR Axp A 152 ? 107.42  21.995 14.813  1 57.243  ? 173 A 1 .
ATOM 2327 O O    . THR Axp A 152 ? 108.169 21.405 14.052  1 52.637  ? 173 A 1 .
ATOM 2328 C CB   . THR Axp A 152 ? 107.302 24.44  15.395  1 59.799  ? 173 A 1 .
ATOM 2329 O OG1  . THR Axp A 152 ? 107.167 25.708 14.762  1 57.831  ? 173 A 1 .
ATOM 2330 C CG2  . THR Axp A 152 ? 108.772 24.243 15.702  1 59.97   ? 173 A 1 .
ATOM 2331 H H    . THR Axp A 152 ? 104.862 23.856 14.923  1 60.471  ? 173 A 1 c
ATOM 2332 H HA   . THR Axp A 152 ? 107.108 23.582 13.537  1 60.965  ? 173 A 1 c
ATOM 2333 H HB   . THR Axp A 152 ? 106.778 24.427 16.232  1 60.004  ? 173 A 1 c
ATOM 2334 H HG1  . THR Axp A 152 ? 107.634 25.721 14.167  0 36.23   ? 173 A 1 c
ATOM 2335 H HG21 . THR Axp A 152 ? 109.126 25.048 16.116  1 59.912  ? 173 A 1 c
ATOM 2336 H HG22 . THR Axp A 152 ? 109.256 24.067 14.877  1 59.911  ? 173 A 1 c
ATOM 2337 H HG23 . THR Axp A 152 ? 108.884 23.494 16.31   1 59.893  ? 173 A 1 c
ATOM 2338 N N    . ALA Axp A 153 ? 107.157 21.526 16.027  1 59.927  ? 174 A 1 .
ATOM 2339 C CA   . ALA Axp A 153 ? 107.756 20.289 16.472  1 56.621  ? 174 A 1 .
ATOM 2340 C C    . ALA Axp A 153 ? 107.614 19.246 15.366  1 53.985  ? 174 A 1 .
ATOM 2341 O O    . ALA Axp A 153 ? 108.606 18.685 14.931  1 54.822  ? 174 A 1 .
ATOM 2342 C CB   . ALA Axp A 153 ? 107.114 19.858 17.764  1 56.243  ? 174 A 1 .
ATOM 2343 H H    . ALA Axp A 153 ? 106.595 21.981 16.586  1 58.541  ? 174 A 1 c
ATOM 2344 H HA   . ALA Axp A 153 ? 108.727 20.45  16.627  1 56.674  ? 174 A 1 c
ATOM 2345 H HB3  . ALA Axp A 153 ? 107.403 18.958 17.988  1 56.342  ? 174 A 1 c
ATOM 2346 H HB2  . ALA Axp A 153 ? 106.147 19.871 17.668  1 56.352  ? 174 A 1 c
ATOM 2347 H HB1  . ALA Axp A 153 ? 107.374 20.466 18.476  1 56.352  ? 174 A 1 c
ATOM 2348 N N    . LEU Axp A 154 ? 106.394 19.014 14.875  1 52.427  ? 175 A 1 .
ATOM 2349 C CA   . LEU Axp A 154 ? 106.195 18.028 13.818  1 59.774  ? 175 A 1 .
ATOM 2350 C C    . LEU Axp A 154 ? 107.184 18.267 12.666  1 57.165  ? 175 A 1 .
ATOM 2351 O O    . LEU Axp A 154 ? 107.948 17.383 12.277  1 52.216  ? 175 A 1 .
ATOM 2352 C CB   . LEU Axp A 154 ? 104.763 18.044 13.276  1 62.919  ? 175 A 1 .
ATOM 2353 C CG   . LEU Axp A 154 ? 103.605 17.775 14.242  1 60.576  ? 175 A 1 .
ATOM 2354 C CD1  . LEU Axp A 154 ? 102.365 17.609 13.354  1 62.22   ? 175 A 1 .
ATOM 2355 C CD2  . LEU Axp A 154 ? 103.791 16.572 15.147  1 62.421  ? 175 A 1 .
ATOM 2356 H H    . LEU Axp A 154 ? 105.674 19.473 15.2    1 54.497  ? 175 A 1 c
ATOM 2357 H HA   . LEU Axp A 154 ? 106.383 17.133 14.199  1 58.366  ? 175 A 1 c
ATOM 2358 H HB3  . LEU Axp A 154 ? 104.712 17.381 12.552  1 61.608  ? 175 A 1 c
ATOM 2359 H HB2  . LEU Axp A 154 ? 104.609 18.921 12.857  1 61.466  ? 175 A 1 c
ATOM 2360 H HG   . LEU Axp A 154 ? 103.477 18.576 14.808  1 61.581  ? 175 A 1 c
ATOM 2361 H HD11 . LEU Axp A 154 ? 102.398 18.248 12.622  1 61.747  ? 175 A 1 c
ATOM 2362 H HD12 . LEU Axp A 154 ? 101.564 17.766 13.883  1 61.743  ? 175 A 1 c
ATOM 2363 H HD13 . LEU Axp A 154 ? 102.341 16.709 12.995  1 61.767  ? 175 A 1 c
ATOM 2364 H HD21 . LEU Axp A 154 ? 104.618 16.665 15.648  1 61.92   ? 175 A 1 c
ATOM 2365 H HD22 . LEU Axp A 154 ? 103.829 15.763 14.61   1 61.881  ? 175 A 1 c
ATOM 2366 H HD23 . LEU Axp A 154 ? 103.044 16.513 15.766  1 61.881  ? 175 A 1 c
ATOM 2367 N N    . ASN Axp A 155 ? 107.134 19.472 12.096  1 53.755  ? 176 A 1 .
ATOM 2368 C CA   . ASN Axp A 155 ? 108.038 19.86  11.031  1 51.915  ? 176 A 1 .
ATOM 2369 C C    . ASN Axp A 155 ? 109.501 19.661 11.455  1 51.382  ? 176 A 1 .
ATOM 2370 O O    . ASN Axp A 155 ? 110.329 19.202 10.692  1 46.005  ? 176 A 1 .
ATOM 2371 C CB   . ASN Axp A 155 ? 107.784 21.304 10.631  1 51.264  ? 176 A 1 .
ATOM 2372 C CG   . ASN Axp A 155 ? 106.546 21.468 9.787   1 53.468  ? 176 A 1 .
ATOM 2373 O OD1  . ASN Axp A 155 ? 106.574 21.238 8.577   1 61.13   ? 176 A 1 .
ATOM 2374 N ND2  . ASN Axp A 155 ? 105.462 21.939 10.37   1 57.869  ? 176 A 1 .
ATOM 2375 H H    . ASN Axp A 155 ? 106.513 20.077 12.386  1 54.204  ? 176 A 1 c
ATOM 2376 H HA   . ASN Axp A 155 ? 107.856 19.294 10.247  1 52.056  ? 176 A 1 c
ATOM 2377 H HB3  . ASN Axp A 155 ? 108.556 21.638 10.131  1 51.931  ? 176 A 1 c
ATOM 2378 H HB2  . ASN Axp A 155 ? 107.695 21.846 11.44   1 52.027  ? 176 A 1 c
ATOM 2379 H HD21 . ASN Axp A 155 ? 104.662 21.688 10.08   1 56.484  ? 176 A 1 c
ATOM 2380 H HD22 . ASN Axp A 155 ? 105.529 22.502 11.049  1 56.429  ? 176 A 1 c
ATOM 2381 N N    . LEU Axp A 156 ? 109.846 19.975 12.698  1 53.086  ? 177 A 1 .
ATOM 2382 C CA   . LEU Axp A 156 ? 111.211 19.781 13.145  1 51.802  ? 177 A 1 .
ATOM 2383 C C    . LEU Axp A 156 ? 111.519 18.293 13.206  1 49.617  ? 177 A 1 .
ATOM 2384 O O    . LEU Axp A 156 ? 112.668 17.887 13.191  1 48.363  ? 177 A 1 .
ATOM 2385 C CB   . LEU Axp A 156 ? 111.466 20.443 14.498  1 56.814  ? 177 A 1 .
ATOM 2386 C CG   . LEU Axp A 156 ? 111.711 21.955 14.46   1 59.048  ? 177 A 1 .
ATOM 2387 C CD1  . LEU Axp A 156 ? 112.315 22.466 15.749  1 63.222  ? 177 A 1 .
ATOM 2388 C CD2  . LEU Axp A 156 ? 112.612 22.332 13.308  1 57.836  ? 177 A 1 .
ATOM 2389 H H    . LEU Axp A 156 ? 109.23  20.325 13.274  1 52.478  ? 177 A 1 c
ATOM 2390 H HA   . LEU Axp A 156 ? 111.812 20.183 12.472  1 52.568  ? 177 A 1 c
ATOM 2391 H HB3  . LEU Axp A 156 ? 112.251 20.012 14.91   1 56.108  ? 177 A 1 c
ATOM 2392 H HB2  . LEU Axp A 156 ? 110.691 20.268 15.079  1 56.084  ? 177 A 1 c
ATOM 2393 H HG   . LEU Axp A 156 ? 110.838 22.407 14.328  1 59.16   ? 177 A 1 c
ATOM 2394 H HD11 . LEU Axp A 156 ? 111.793 22.143 16.502  1 61.938  ? 177 A 1 c
ATOM 2395 H HD12 . LEU Axp A 156 ? 112.311 23.438 15.747  1 61.925  ? 177 A 1 c
ATOM 2396 H HD13 . LEU Axp A 156 ? 113.23  22.147 15.828  1 61.945  ? 177 A 1 c
ATOM 2397 H HD21 . LEU Axp A 156 ? 112.094 22.37  12.487  1 58.106  ? 177 A 1 c
ATOM 2398 H HD22 . LEU Axp A 156 ? 113.319 21.671 13.216  1 58.102  ? 177 A 1 c
ATOM 2399 H HD23 . LEU Axp A 156 ? 113.008 23.204 13.478  1 58.209  ? 177 A 1 c
ATOM 2400 N N    . MET Axp A 157 ? 110.489 17.463 13.282  1 51.786  ? 178 A 1 .
ATOM 2401 C CA   . MET Axp A 157 ? 110.73  16.034 13.322  1 53.4    ? 178 A 1 .
ATOM 2402 C C    . MET Axp A 157 ? 110.971 15.536 11.901  1 49.8    ? 178 A 1 .
ATOM 2403 O O    . MET Axp A 157 ? 111.866 14.734 11.683  1 45.218  ? 178 A 1 .
ATOM 2404 C CB   . MET Axp A 157 ? 109.56  15.297 13.983  1 56.616  ? 178 A 1 .
ATOM 2405 C CG   . MET Axp A 157 ? 109.726 13.791 14.05   1 59.564  ? 178 A 1 .
ATOM 2406 S SD   . MET Axp A 157 ? 108.201 12.905 14.439  1 65.968  ? 178 A 1 .
ATOM 2407 C CE   . MET Axp A 157 ? 107.096 13.58  13.182  1 65.881  ? 178 A 1 .
ATOM 2408 H H    . MET Axp A 157 ? 109.634 17.776 13.342  1 51.691  ? 178 A 1 c
ATOM 2409 H HA   . MET Axp A 157 ? 111.552 15.872 13.852  1 52.864  ? 178 A 1 c
ATOM 2410 H HB3  . MET Axp A 157 ? 108.744 15.505 13.485  1 56.632  ? 178 A 1 c
ATOM 2411 H HB2  . MET Axp A 157 ? 109.446 15.644 14.891  1 56.682  ? 178 A 1 c
ATOM 2412 H HG3  . MET Axp A 157 ? 110.396 13.57  14.722  1 60.048  ? 178 A 1 c
ATOM 2413 H HG2  . MET Axp A 157 ? 110.055 13.467 13.19   1 59.861  ? 178 A 1 c
ATOM 2414 H HE3  . MET Axp A 157 ? 107.623 13.915 12.435  1 65.652  ? 178 A 1 c
ATOM 2415 H HE2  . MET Axp A 157 ? 106.575 14.31  13.566  1 65.843  ? 178 A 1 c
ATOM 2416 H HE1  . MET Axp A 157 ? 106.494 12.88  12.869  1 65.855  ? 178 A 1 c
ATOM 2417 N N    . ASN Axp A 158 ? 110.165 16.008 10.944  1 50.882  ? 179 A 1 .
ATOM 2418 C CA   . ASN Axp A 158 ? 110.246 15.527 9.574   1 51.747  ? 179 A 1 .
ATOM 2419 C C    . ASN Axp A 158 ? 111.575 15.961 8.961   1 53.773  ? 179 A 1 .
ATOM 2420 O O    . ASN Axp A 158 ? 112.076 15.324 8.035   1 59.067  ? 179 A 1 .
ATOM 2421 C CB   . ASN Axp A 158 ? 109.043 15.957 8.739   1 49.379  ? 179 A 1 .
ATOM 2422 C CG   . ASN Axp A 158 ? 107.749 15.354 9.245   1 51.301  ? 179 A 1 .
ATOM 2423 O OD1  . ASN Axp A 158 ? 107.682 14.842 10.369  1 50.055  ? 179 A 1 .
ATOM 2424 N ND2  . ASN Axp A 158 ? 106.699 15.394 8.44    1 53.094  ? 179 A 1 .
ATOM 2425 H H    . ASN Axp A 158 ? 109.543 16.644 11.151  1 50.831  ? 179 A 1 c
ATOM 2426 H HA   . ASN Axp A 158 ? 110.238 14.543 9.603   1 51.444  ? 179 A 1 c
ATOM 2427 H HB3  . ASN Axp A 158 ? 109.183 15.683 7.81    1 50.345  ? 179 A 1 c
ATOM 2428 H HB2  . ASN Axp A 158 ? 108.971 16.932 8.758   1 50.345  ? 179 A 1 c
ATOM 2429 H HD21 . ASN Axp A 158 ? 106.208 14.667 8.333   1 52.814  ? 179 A 1 c
ATOM 2430 H HD22 . ASN Axp A 158 ? 106.503 16.137 7.998   1 52.728  ? 179 A 1 c
ATOM 2431 N N    . GLU Axp A 159 ? 112.149 17.046 9.482   1 50.42   ? 180 A 1 .
ATOM 2432 C CA   . GLU Axp A 159 ? 113.417 17.521 8.974   1 48.419  ? 180 A 1 .
ATOM 2433 C C    . GLU Axp A 159 ? 114.454 16.494 9.379   1 46.742  ? 180 A 1 .
ATOM 2434 O O    . GLU Axp A 159 ? 114.92  15.717 8.561   1 38.733  ? 180 A 1 .
ATOM 2435 C CB   . GLU Axp A 159 ? 113.787 18.895 9.535   1 48.504  ? 180 A 1 .
ATOM 2436 C CG   . GLU Axp A 159 ? 115.107 19.406 8.977   1 51.469  ? 180 A 1 .
ATOM 2437 C CD   . GLU Axp A 159 ? 115.638 20.663 9.632   1 57.084  ? 180 A 1 .
ATOM 2438 O OE1  . GLU Axp A 159 ? 115.09  21.753 9.398   1 64.981  ? 180 A 1 .
ATOM 2439 O OE2  . GLU Axp A 159 ? 116.619 20.558 10.39   1 64.204  ? 180 A 1 .
ATOM 2440 H H    . GLU Axp A 159 ? 111.736 17.51  10.152  1 50.72   ? 180 A 1 c
ATOM 2441 H HA   . GLU Axp A 159 ? 113.37  17.566 7.985   1 48.582  ? 180 A 1 c
ATOM 2442 H HB3  . GLU Axp A 159 ? 113.834 18.848 10.511  1 49.188  ? 180 A 1 c
ATOM 2443 H HB2  . GLU Axp A 159 ? 113.078 19.531 9.301   1 49.155  ? 180 A 1 c
ATOM 2444 H HG3  . GLU Axp A 159 ? 114.998 19.581 8.018   1 52.013  ? 180 A 1 c
ATOM 2445 H HG2  . GLU Axp A 159 ? 115.785 18.704 9.069   1 52.047  ? 180 A 1 c
ATOM 2446 N N    . ARG Axp A 160 ? 114.738 16.479 10.68   1 52.961  ? 181 A 1 .
ATOM 2447 C CA   . ARG Axp A 160 ? 115.803 15.676 11.241  1 55.983  ? 181 A 1 .
ATOM 2448 C C    . ARG Axp A 160 ? 115.65  14.204 10.887  1 57.124  ? 181 A 1 .
ATOM 2449 O O    . ARG Axp A 160 ? 116.643 13.492 10.934  1 54.345  ? 181 A 1 .
ATOM 2450 C CB   . ARG Axp A 160 ? 115.774 15.75  12.767  1 55.329  ? 181 A 1 .
ATOM 2451 C CG   . ARG Axp A 160 ? 116.86  14.952 13.467  1 55.188  ? 181 A 1 .
ATOM 2452 C CD   . ARG Axp A 160 ? 118.252 15.465 13.11   1 59.202  ? 181 A 1 .
ATOM 2453 N NE   . ARG Axp A 160 ? 119.226 14.455 13.532  1 59.208  ? 181 A 1 .
ATOM 2454 C CZ   . ARG Axp A 160 ? 119.747 13.535 12.736  1 57.479  ? 181 A 1 .
ATOM 2455 N NH1  . ARG Axp A 160 ? 119.654 13.632 11.431  1 56.865  ? 181 A 1 .
ATOM 2456 N NH2  . ARG Axp A 160 ? 120.377 12.506 13.249  1 64.202  ? 181 A 1 .
ATOM 2457 H H    . ARG Axp A 160 ? 114.226 16.975 11.251  1 51.997  ? 181 A 1 c
ATOM 2458 H HA   . ARG Axp A 160 ? 116.668 16.009 10.893  1 55.502  ? 181 A 1 c
ATOM 2459 H HB3  . ARG Axp A 160 ? 114.9   15.431 13.078  1 55.461  ? 181 A 1 c
ATOM 2460 H HB2  . ARG Axp A 160 ? 115.856 16.689 13.03   1 55.481  ? 181 A 1 c
ATOM 2461 H HG3  . ARG Axp A 160 ? 116.79  14.005 13.223  1 56.118  ? 181 A 1 c
ATOM 2462 H HG2  . ARG Axp A 160 ? 116.734 15.022 14.438  1 56.11   ? 181 A 1 c
ATOM 2463 H HD3  . ARG Axp A 160 ? 118.43  16.307 13.578  1 58.275  ? 181 A 1 c
ATOM 2464 H HD2  . ARG Axp A 160 ? 118.334 15.621 12.149  1 58.235  ? 181 A 1 c
ATOM 2465 H HE   . ARG Axp A 160 ? 119.48  14.458 14.365  1 58.863  ? 181 A 1 c
ATOM 2466 H HH11 . ARG Axp A 160 ? 118.86  13.596 11.043  1 57.142  ? 181 A 1 c
ATOM 2467 H HH12 . ARG Axp A 160 ? 120.385 13.733 10.946  1 57.074  ? 181 A 1 c
ATOM 2468 H HH21 . ARG Axp A 160 ? 120.96  12.629 13.902  1 62.026  ? 181 A 1 c
ATOM 2469 H HH22 . ARG Axp A 160 ? 120.215 11.693 12.939  1 62.046  ? 181 A 1 c
ATOM 2470 N N    . THR Axp A 161 ? 114.423 13.731 10.609  1 59.98   ? 182 A 1 .
ATOM 2471 C CA   . THR Axp A 161 ? 114.219 12.294 10.481  1 59.414  ? 182 A 1 .
ATOM 2472 C C    . THR Axp A 161 ? 114.337 11.866 9.022   1 50.371  ? 182 A 1 .
ATOM 2473 O O    . THR Axp A 161 ? 115.09  10.944 8.714   1 51.581  ? 182 A 1 .
ATOM 2474 C CB   . THR Axp A 161 ? 112.899 11.825 11.088  1 63.423  ? 182 A 1 .
ATOM 2475 O OG1  . THR Axp A 161 ? 112.919 12.218 12.458  1 62.953  ? 182 A 1 .
ATOM 2476 C CG2  . THR Axp A 161 ? 112.771 10.313 11.004  1 67.69   ? 182 A 1 .
ATOM 2477 H H    . THR Axp A 161 ? 113.711 14.295 10.518  1 59.02   ? 182 A 1 c
ATOM 2478 H HA   . THR Axp A 161 ? 114.939 11.849 10.978  1 58.4    ? 182 A 1 c
ATOM 2479 H HB   . THR Axp A 161 ? 112.138 12.255 10.629  1 63.229  ? 182 A 1 c
ATOM 2480 H HG1  . THR Axp A 161 ? 113.407 11.752 12.776  0 49.22   ? 182 A 1 c
ATOM 2481 H HG21 . THR Axp A 161 ? 112.194 9.996  11.718  1 66.313  ? 182 A 1 c
ATOM 2482 H HG22 . THR Axp A 161 ? 113.649 9.906  11.094  1 66.189  ? 182 A 1 c
ATOM 2483 H HG23 . THR Axp A 161 ? 112.387 10.067 10.146  1 66.264  ? 182 A 1 c
ATOM 2484 N N    . LEU Axp A 162 ? 113.557 12.486 8.138   1 44.776  ? 183 A 1 .
ATOM 2485 C CA   . LEU Axp A 162 ? 113.66  12.099 6.746   1 46.761  ? 183 A 1 .
ATOM 2486 C C    . LEU Axp A 162 ? 115.132 12.129 6.378   1 48.902  ? 183 A 1 .
ATOM 2487 O O    . LEU Axp A 162 ? 115.629 11.209 5.75    1 56.286  ? 183 A 1 .
ATOM 2488 C CB   . LEU Axp A 162 ? 112.862 12.964 5.785   1 49.239  ? 183 A 1 .
ATOM 2489 C CG   . LEU Axp A 162 ? 111.345 12.835 5.883   1 59.614  ? 183 A 1 .
ATOM 2490 C CD1  . LEU Axp A 162 ? 110.741 13.985 5.125   1 63.714  ? 183 A 1 .
ATOM 2491 C CD2  . LEU Axp A 162 ? 110.806 11.528 5.331   1 63.99   ? 183 A 1 .
ATOM 2492 H H    . LEU Axp A 162 ? 112.969 13.137 8.393   1 46.648  ? 183 A 1 c
ATOM 2493 H HA   . LEU Axp A 162 ? 113.345 11.164 6.668   1 47.418  ? 183 A 1 c
ATOM 2494 H HB3  . LEU Axp A 162 ? 113.135 12.735 4.867   1 50.842  ? 183 A 1 c
ATOM 2495 H HB2  . LEU Axp A 162 ? 113.106 13.905 5.945   1 50.958  ? 183 A 1 c
ATOM 2496 H HG   . LEU Axp A 162 ? 111.082 12.911 6.836   1 59.11   ? 183 A 1 c
ATOM 2497 H HD11 . LEU Axp A 162 ? 110.953 14.819 5.577   1 62.356  ? 183 A 1 c
ATOM 2498 H HD12 . LEU Axp A 162 ? 109.776 13.876 5.084   1 62.43   ? 183 A 1 c
ATOM 2499 H HD13 . LEU Axp A 162 ? 111.102 14.006 4.223   1 62.356  ? 183 A 1 c
ATOM 2500 H HD21 . LEU Axp A 162 ? 111.375 10.796 5.615   1 62.48   ? 183 A 1 c
ATOM 2501 H HD22 . LEU Axp A 162 ? 110.793 11.567 4.361   1 62.674  ? 183 A 1 c
ATOM 2502 H HD23 . LEU Axp A 162 ? 109.903 11.384 5.661   1 62.639  ? 183 A 1 c
ATOM 2503 N N    . PHE Axp A 163 ? 115.837 13.171 6.809   1 55.643  ? 184 A 1 .
ATOM 2504 C CA   . PHE Axp A 163 ? 117.239 13.277 6.472   1 59.981  ? 184 A 1 .
ATOM 2505 C C    . PHE Axp A 163 ? 117.93  12.033 7.005   1 57.473  ? 184 A 1 .
ATOM 2506 O O    . PHE Axp A 163 ? 118.495 11.221 6.271   1 63.848  ? 184 A 1 .
ATOM 2507 C CB   . PHE Axp A 163 ? 117.878 14.55  7.031   1 65.876  ? 184 A 1 .
ATOM 2508 C CG   . PHE Axp A 163 ? 119.325 14.676 6.574   1 66.7    ? 184 A 1 .
ATOM 2509 C CD1  . PHE Axp A 163 ? 119.632 15.132 5.287   1 68.821  ? 184 A 1 .
ATOM 2510 C CD2  . PHE Axp A 163 ? 120.363 14.296 7.408   1 54.885  ? 184 A 1 .
ATOM 2511 C CE1  . PHE Axp A 163 ? 120.945 15.232 4.857   1 60.199  ? 184 A 1 .
ATOM 2512 C CE2  . PHE Axp A 163 ? 121.671 14.394 6.971   1 59.759  ? 184 A 1 .
ATOM 2513 C CZ   . PHE Axp A 163 ? 121.96  14.859 5.7     1 60.464  ? 184 A 1 .
ATOM 2514 H H    . PHE Axp A 163 ? 115.442 13.831 7.303   1 54.78   ? 184 A 1 c
ATOM 2515 H HA   . PHE Axp A 163 ? 117.325 13.289 5.482   1 59.577  ? 184 A 1 c
ATOM 2516 H HB3  . PHE Axp A 163 ? 117.847 14.524 8.013   1 64.512  ? 184 A 1 c
ATOM 2517 H HB2  . PHE Axp A 163 ? 117.368 15.329 6.717   1 64.641  ? 184 A 1 c
ATOM 2518 H HD1  . PHE Axp A 163 ? 118.932 15.388 4.709   1 65.948  ? 184 A 1 c
ATOM 2519 H HD2  . PHE Axp A 163 ? 120.177 13.975 8.275   1 58.692  ? 184 A 1 c
ATOM 2520 H HE1  . PHE Axp A 163 ? 121.136 15.552 3.992   1 62.221  ? 184 A 1 c
ATOM 2521 H HE2  . PHE Axp A 163 ? 122.375 14.142 7.548   1 58.859  ? 184 A 1 c
ATOM 2522 H HZ   . PHE Axp A 163 ? 122.857 14.927 5.416   1 60.29   ? 184 A 1 c
ATOM 2523 N N    . ALA Axp A 164 ? 117.835 11.877 8.312   1 55.604  ? 185 A 1 .
ATOM 2524 C CA   . ALA Axp A 164 ? 118.476 10.756 8.959   1 61.472  ? 185 A 1 .
ATOM 2525 C C    . ALA Axp A 164 ? 118.227 9.467  8.182   1 61.903  ? 185 A 1 .
ATOM 2526 O O    . ALA Axp A 164 ? 119.014 8.543  8.302   1 69.728  ? 185 A 1 .
ATOM 2527 C CB   . ALA Axp A 164 ? 118.012 10.656 10.398  1 68.131  ? 185 A 1 .
ATOM 2528 H H    . ALA Axp A 164 ? 117.361 12.474 8.816   1 57.564  ? 185 A 1 c
ATOM 2529 H HA   . ALA Axp A 164 ? 119.457 10.926 8.954   1 61.559  ? 185 A 1 c
ATOM 2530 H HB3  . ALA Axp A 164 ? 118.171 9.757  10.732  1 65.965  ? 185 A 1 c
ATOM 2531 H HB2  . ALA Axp A 164 ? 117.062 10.854 10.451  1 65.763  ? 185 A 1 c
ATOM 2532 H HB1  . ALA Axp A 164 ? 118.502 11.292 10.944  1 65.891  ? 185 A 1 c
ATOM 2533 N N    . SER Axp A 165 ? 117.121 9.385  7.434   1 67.922  ? 186 A 1 .
ATOM 2534 C CA   . SER Axp A 165 ? 116.787 8.182  6.689   1 64.182  ? 186 A 1 .
ATOM 2535 C C    . SER Axp A 165 ? 117.487 8.211  5.343   1 59.827  ? 186 A 1 .
ATOM 2536 O O    . SER Axp A 165 ? 118.182 7.269  5.017   1 73.574  ? 186 A 1 .
ATOM 2537 C CB   . SER Axp A 165 ? 115.294 7.969  6.553   1 65.986  ? 186 A 1 .
ATOM 2538 O OG   . SER Axp A 165 ? 114.667 8.013  7.838   1 73.126  ? 186 A 1 .
ATOM 2539 H H    . SER Axp A 165 ? 116.534 10.085 7.416   1 65.31   ? 186 A 1 c
ATOM 2540 H HA   . SER Axp A 165 ? 117.15  7.41   7.194   1 64.448  ? 186 A 1 c
ATOM 2541 H HB3  . SER Axp A 165 ? 115.125 7.104  6.135   1 67.316  ? 186 A 1 c
ATOM 2542 H HB2  . SER Axp A 165 ? 114.917 8.665  5.982   1 67.164  ? 186 A 1 c
ATOM 2543 H HG   . SER Axp A 165 ? 113.847 7.91   7.78    0 47.69   ? 186 A 1 c
ATOM 2544 N N    . PHE Axp A 166 ? 117.342 9.297  4.587   1 67.835  ? 187 A 1 .
ATOM 2545 C CA   . PHE Axp A 166 ? 117.944 9.399  3.262   1 74.108  ? 187 A 1 .
ATOM 2546 C C    . PHE Axp A 166 ? 119.448 9.202  3.343   1 78.641  ? 187 A 1 .
ATOM 2547 O O    . PHE Axp A 166 ? 120.002 8.368  2.635   1 85.398  ? 187 A 1 .
ATOM 2548 C CB   . PHE Axp A 166 ? 117.691 10.745 2.578   1 69.423  ? 187 A 1 .
ATOM 2549 C CG   . PHE Axp A 166 ? 116.229 10.939 2.215   1 68.911  ? 187 A 1 .
ATOM 2550 C CD1  . PHE Axp A 166 ? 115.362 9.851  2.083   1 72.824  ? 187 A 1 .
ATOM 2551 C CD2  . PHE Axp A 166 ? 115.716 12.215 2.041   1 67.272  ? 187 A 1 .
ATOM 2552 C CE1  . PHE Axp A 166 ? 114.023 10.034 1.767   1 73.425  ? 187 A 1 .
ATOM 2553 C CE2  . PHE Axp A 166 ? 114.375 12.396 1.733   1 70.158  ? 187 A 1 .
ATOM 2554 C CZ   . PHE Axp A 166 ? 113.53  11.309 1.602   1 74.175  ? 187 A 1 .
ATOM 2555 H H    . PHE Axp A 166 ? 116.849 9.999  4.902   1 67.159  ? 187 A 1 c
ATOM 2556 H HA   . PHE Axp A 166 ? 117.57  8.677  2.693   1 72.844  ? 187 A 1 c
ATOM 2557 H HB3  . PHE Axp A 166 ? 118.235 10.794 1.76    1 70.395  ? 187 A 1 c
ATOM 2558 H HB2  . PHE Axp A 166 ? 117.972 11.467 3.183   1 70.413  ? 187 A 1 c
ATOM 2559 H HD1  . PHE Axp A 166 ? 115.69  8.975  2.2     1 72.031  ? 187 A 1 c
ATOM 2560 H HD2  . PHE Axp A 166 ? 116.282 12.964 2.137   1 68.417  ? 187 A 1 c
ATOM 2561 H HE1  . PHE Axp A 166 ? 113.451 9.288  1.677   1 73.364  ? 187 A 1 c
ATOM 2562 H HE2  . PHE Axp A 166 ? 114.037 13.269 1.613   1 70.244  ? 187 A 1 c
ATOM 2563 H HZ   . PHE Axp A 166 ? 112.623 11.44  1.383   1 72.808  ? 187 A 1 c
ATOM 2564 N N    . ALA Axp A 167 ? 120.085 9.985  4.21    1 82.348  ? 188 A 1 .
ATOM 2565 C CA   . ALA Axp A 167 ? 121.516 9.889  4.409   1 82.637  ? 188 A 1 .
ATOM 2566 C C    . ALA Axp A 167 ? 121.862 8.579  5.117   1 70.875  ? 188 A 1 .
ATOM 2567 O O    . ALA Axp A 167 ? 123.014 8.356  5.47    1 70.384  ? 188 A 1 .
ATOM 2568 C CB   . ALA Axp A 167 ? 121.98  11.096 5.189   1 95.35   ? 188 A 1 .
ATOM 2569 H H    . ALA Axp A 167 ? 119.612 10.601 4.693   1 81.302  ? 188 A 1 c
ATOM 2570 H HA   . ALA Axp A 167 ? 121.958 9.888  3.515   1 82.43   ? 188 A 1 c
ATOM 2571 H HB3  . ALA Axp A 167 ? 122.948 11.081 5.27    1 91.38   ? 188 A 1 c
ATOM 2572 H HB2  . ALA Axp A 167 ? 121.583 11.085 6.076   1 91.38   ? 188 A 1 c
ATOM 2573 H HB1  . ALA Axp A 167 ? 121.709 11.908 4.727   1 91.38   ? 188 A 1 c
ATOM 2574 N N    . GLY Axp A 168 ? 120.851 7.727  5.325   1 65.513  ? 189 A 1 .
ATOM 2575 C CA   . GLY Axp A 168 ? 121.034 6.388  5.861   1 62.316  ? 189 A 1 .
ATOM 2576 C C    . GLY Axp A 168 ? 121.975 6.397  7.056   1 61.597  ? 189 A 1 .
ATOM 2577 O O    . GLY Axp A 168 ? 123.047 5.806  7.012   1 63.857  ? 189 A 1 .
ATOM 2578 H H    . GLY Axp A 168 ? 120     8      5.146   1 66.278  ? 189 A 1 c
ATOM 2579 H HA3  . GLY Axp A 168 ? 121.399 5.804  5.156   1 62.91   ? 189 A 1 c
ATOM 2580 H HA2  . GLY Axp A 168 ? 120.158 6.026  6.134   1 62.953  ? 189 A 1 c
ATOM 2581 N N    . GLU Axp A 169 ? 121.551 7.096  8.107   1 65.475  ? 190 A 1 .
ATOM 2582 C CA   . GLU Axp A 169 ? 122.383 7.362  9.266   1 68.418  ? 190 A 1 .
ATOM 2583 C C    . GLU Axp A 169 ? 122.226 6.23   10.263  1 60.405  ? 190 A 1 .
ATOM 2584 O O    . GLU Axp A 169 ? 121.484 5.299  10.003  1 52.742  ? 190 A 1 .
ATOM 2585 C CB   . GLU Axp A 169 ? 121.944 8.635  9.99    1 75.912  ? 190 A 1 .
ATOM 2586 C CG   . GLU Axp A 169 ? 122.18  9.945  9.241   1 68.23   ? 190 A 1 .
ATOM 2587 C CD   . GLU Axp A 169 ? 121.906 11.116 10.172  1 63.049  ? 190 A 1 .
ATOM 2588 O OE1  . GLU Axp A 169 ? 121.351 10.892 11.282  1 56.996  ? 190 A 1 .
ATOM 2589 O OE2  . GLU Axp A 169 ? 122.253 12.252 9.796   1 65.569  ? 190 A 1 .
ATOM 2590 H H    . GLU Axp A 169 ? 120.697 7.423  8.101   1 65.27   ? 190 A 1 c
ATOM 2591 H HA   . GLU Axp A 169 ? 123.33  7.431  8.983   1 67.5    ? 190 A 1 c
ATOM 2592 H HB3  . GLU Axp A 169 ? 122.42  8.692  10.844  1 71.984  ? 190 A 1 c
ATOM 2593 H HB2  . GLU Axp A 169 ? 120.987 8.563  10.19   1 72.078  ? 190 A 1 c
ATOM 2594 H HG3  . GLU Axp A 169 ? 121.582 9.998  8.465   1 68.595  ? 190 A 1 c
ATOM 2595 H HG2  . GLU Axp A 169 ? 123.11  9.987  8.93    1 68.635  ? 190 A 1 c
ATOM 2596 N N    . GLN Axp A 170 ? 122.914 6.36   11.398  1 65.419  ? 191 A 1 .
ATOM 2597 C CA   . GLN Axp A 170 ? 122.776 5.419  12.487  1 76.206  ? 191 A 1 .
ATOM 2598 C C    . GLN Axp A 170 ? 122.589 6.183  13.799  1 69.964  ? 191 A 1 .
ATOM 2599 O O    . GLN Axp A 170 ? 123.533 6.758  14.323  1 81.935  ? 191 A 1 .
ATOM 2600 C CB   . GLN Axp A 170 ? 124.036 4.559  12.398  1 94.532  ? 191 A 1 .
ATOM 2601 C CG   . GLN Axp A 170 ? 124.099 3.411  13.399  1 111.314 ? 191 A 1 .
ATOM 2602 C CD   . GLN Axp A 170 ? 122.95  2.432  13.277  1 123.032 ? 191 A 1 .
ATOM 2603 O OE1  . GLN Axp A 170 ? 121.812 2.68   13.708  1 126.227 ? 191 A 1 .
ATOM 2604 N NE2  . GLN Axp A 170 ? 123.268 1.275  12.712  1 132.072 ? 191 A 1 .
ATOM 2605 H H    . GLN Axp A 170 ? 123.511 7.046  11.487  1 66.595  ? 191 A 1 c
ATOM 2606 H HA   . GLN Axp A 170 ? 121.985 4.855  12.317  1 75.708  ? 191 A 1 c
ATOM 2607 H HB3  . GLN Axp A 170 ? 124.816 5.137  12.533  1 93.364  ? 191 A 1 c
ATOM 2608 H HB2  . GLN Axp A 170 ? 124.097 4.19   11.492  1 93.2    ? 191 A 1 c
ATOM 2609 H HG3  . GLN Axp A 170 ? 124.106 3.78   14.305  1 109.483 ? 191 A 1 c
ATOM 2610 H HG2  . GLN Axp A 170 ? 124.94  2.923  13.273  1 109.825 ? 191 A 1 c
ATOM 2611 H HE21 . GLN Axp A 170 ? 122.978 0.516  13.066  1 129.191 ? 191 A 1 c
ATOM 2612 H HE22 . GLN Axp A 170 ? 123.769 1.264  11.98   1 129.091 ? 191 A 1 c
ATOM 2613 N N    . PRO Axp A 171 ? 121.385 6.222  14.404  1 63.636  ? 192 A 1 .
ATOM 2614 C CA   . PRO Axp A 171 ? 120.224 5.488  13.946  1 65.588  ? 192 A 1 .
ATOM 2615 C C    . PRO Axp A 171 ? 119.354 6.296  13      1 60.026  ? 192 A 1 .
ATOM 2616 O O    . PRO Axp A 171 ? 119.521 7.507  12.881  1 55.442  ? 192 A 1 .
ATOM 2617 C CB   . PRO Axp A 171 ? 119.457 5.286  15.239  1 69.97   ? 192 A 1 .
ATOM 2618 C CG   . PRO Axp A 171 ? 119.623 6.665  15.882  1 64.592  ? 192 A 1 .
ATOM 2619 C CD   . PRO Axp A 171 ? 121.051 7.046  15.579  1 68.204  ? 192 A 1 .
ATOM 2620 H HA   . PRO Axp A 171 ? 120.478 4.635  13.547  1 65.34   ? 192 A 1 c
ATOM 2621 H HB3  . PRO Axp A 171 ? 119.86  4.585  15.786  1 67.782  ? 192 A 1 c
ATOM 2622 H HB2  . PRO Axp A 171 ? 118.517 5.081  15.069  1 67.65   ? 192 A 1 c
ATOM 2623 H HG3  . PRO Axp A 171 ? 119.476 6.62   16.848  1 66.557  ? 192 A 1 c
ATOM 2624 H HG2  . PRO Axp A 171 ? 119     7.312  15.496  1 66.477  ? 192 A 1 c
ATOM 2625 H HD3  . PRO Axp A 171 ? 121.127 7.997  15.366  1 66.297  ? 192 A 1 c
ATOM 2626 H HD2  . PRO Axp A 171 ? 121.642 6.835  16.328  1 66.297  ? 192 A 1 c
ATOM 2627 N N    . SER Axp A 172 ? 118.396 5.601  12.386  1 58.052  ? 193 A 1 .
ATOM 2628 C CA   . SER Axp A 172 ? 117.448 6.232  11.491  1 63.094  ? 193 A 1 .
ATOM 2629 C C    . SER Axp A 172 ? 116.28  5.289  11.254  1 65.777  ? 193 A 1 .
ATOM 2630 O O    . SER Axp A 172 ? 116.316 4.165  11.742  1 76.27   ? 193 A 1 .
ATOM 2631 C CB   . SER Axp A 172 ? 118.108 6.607  10.213  1 66.39   ? 193 A 1 .
ATOM 2632 O OG   . SER Axp A 172 ? 118.799 5.511  9.636   1 64.385  ? 193 A 1 .
ATOM 2633 H H    . SER Axp A 172 ? 118.334 4.701  12.53   1 59.75   ? 193 A 1 c
ATOM 2634 H HA   . SER Axp A 172 ? 117.104 7.055  11.926  1 63.097  ? 193 A 1 c
ATOM 2635 H HB3  . SER Axp A 172 ? 118.739 7.331  10.381  1 65.103  ? 193 A 1 c
ATOM 2636 H HB2  . SER Axp A 172 ? 117.436 6.932  9.585   1 65.204  ? 193 A 1 c
ATOM 2637 H HG   . SER Axp A 172 ? 119.061 5.765  8.968   0 51.56   ? 193 A 1 c
ATOM 2638 N N    . VAL Axp A 173 ? 115.262 5.765  10.526  1 68.696  ? 194 A 1 .
ATOM 2639 C CA   . VAL Axp A 173 ? 114.09  4.967  10.211  1 74.487  ? 194 A 1 .
ATOM 2640 C C    . VAL Axp A 173 ? 114.248 4.507  8.769   1 80.822  ? 194 A 1 .
ATOM 2641 O O    . VAL Axp A 173 ? 114.345 5.336  7.867   1 94.595  ? 194 A 1 .
ATOM 2642 C CB   . VAL Axp A 173 ? 112.758 5.732  10.373  1 82.071  ? 194 A 1 .
ATOM 2643 C CG1  . VAL Axp A 173 ? 111.558 4.881  9.979   1 79.945  ? 194 A 1 .
ATOM 2644 C CG2  . VAL Axp A 173 ? 112.564 6.28   11.776  1 85.825  ? 194 A 1 .
ATOM 2645 H H    . VAL Axp A 173 ? 115.298 6.626  10.222  1 69.151  ? 194 A 1 c
ATOM 2646 H HA   . VAL Axp A 173 ? 114.076 4.189  10.796  1 75.913  ? 194 A 1 c
ATOM 2647 H HB   . VAL Axp A 173 ? 112.791 6.501  9.757   1 80.957  ? 194 A 1 c
ATOM 2648 H HG11 . VAL Axp A 173 ? 111.574 4.046  10.475  1 80.629  ? 194 A 1 c
ATOM 2649 H HG12 . VAL Axp A 173 ? 111.592 4.691  9.027   1 80.576  ? 194 A 1 c
ATOM 2650 H HG13 . VAL Axp A 173 ? 110.737 5.361  10.182  1 80.631  ? 194 A 1 c
ATOM 2651 H HG21 . VAL Axp A 173 ? 111.689 6.697  11.845  1 84.571  ? 194 A 1 c
ATOM 2652 H HG22 . VAL Axp A 173 ? 113.252 6.941  11.964  1 84.396  ? 194 A 1 c
ATOM 2653 H HG23 . VAL Axp A 173 ? 112.628 5.555  12.42   1 84.475  ? 194 A 1 c
ATOM 2654 N N    . PRO Axp A 174 ? 114.215 3.191  8.482   1 84.331  ? 195 A 1 .
ATOM 2655 C CA   . PRO Axp A 174 ? 114.389 2.717  7.117   1 85.616  ? 195 A 1 .
ATOM 2656 C C    . PRO Axp A 174 ? 113.56  3.52   6.133   1 80.781  ? 195 A 1 .
ATOM 2657 O O    . PRO Axp A 174 ? 112.371 3.688  6.364   1 79.44   ? 195 A 1 .
ATOM 2658 C CB   . PRO Axp A 174 ? 113.883 1.281  7.16    1 90.461  ? 195 A 1 .
ATOM 2659 C CG   . PRO Axp A 174 ? 113.118 1.207  8.476   1 91.114  ? 195 A 1 .
ATOM 2660 C CD   . PRO Axp A 174 ? 113.858 2.105  9.4     1 90.364  ? 195 A 1 .
ATOM 2661 H HA   . PRO Axp A 174 ? 115.337 2.744  6.87    1 85.246  ? 195 A 1 c
ATOM 2662 H HB3  . PRO Axp A 174 ? 114.627 0.648  7.152   1 89.48   ? 195 A 1 c
ATOM 2663 H HB2  . PRO Axp A 174 ? 113.295 1.092  6.402   1 89.436  ? 195 A 1 c
ATOM 2664 H HG3  . PRO Axp A 174 ? 113.102 0.292  8.821   1 90.783  ? 195 A 1 c
ATOM 2665 H HG2  . PRO Axp A 174 ? 112.201 1.518  8.361   1 90.739  ? 195 A 1 c
ATOM 2666 H HD3  . PRO Axp A 174 ? 113.287 2.421  10.126  1 88.835  ? 195 A 1 c
ATOM 2667 H HD2  . PRO Axp A 174 ? 114.655 1.674  9.767   1 89.042  ? 195 A 1 c
ATOM 2668 N N    . GLU Axp A 175 ? 114.201 4.016  5.069   1 80.997  ? 196 A 1 .
ATOM 2669 C CA   . GLU Axp A 175 ? 113.533 4.807  4.048   1 78.256  ? 196 A 1 .
ATOM 2670 C C    . GLU Axp A 175 ? 112.16  4.204  3.73    1 79.448  ? 196 A 1 .
ATOM 2671 O O    . GLU Axp A 175 ? 111.211 4.921  3.415   1 75.724  ? 196 A 1 .
ATOM 2672 C CB   . GLU Axp A 175 ? 114.456 4.886  2.833   1 70.843  ? 196 A 1 .
ATOM 2673 C CG   . GLU Axp A 175 ? 113.856 5.653  1.661   1 74.21   ? 196 A 1 .
ATOM 2674 C CD   . GLU Axp A 175 ? 114.836 5.998  0.56    1 72.455  ? 196 A 1 .
ATOM 2675 O OE1  . GLU Axp A 175 ? 116.02  5.703  0.785   1 66.685  ? 196 A 1 .
ATOM 2676 O OE2  . GLU Axp A 175 ? 114.43  6.55   -0.493  1 74.038  ? 196 A 1 .
ATOM 2677 H H    . GLU Axp A 175 ? 115.095 3.853  4.977   1 80.268  ? 196 A 1 c
ATOM 2678 H HA   . GLU Axp A 175 ? 113.4   5.722  4.404   1 77.577  ? 196 A 1 c
ATOM 2679 H HB3  . GLU Axp A 175 ? 114.672 3.976  2.541   1 73.236  ? 196 A 1 c
ATOM 2680 H HB2  . GLU Axp A 175 ? 115.293 5.317  3.106   1 73.24   ? 196 A 1 c
ATOM 2681 H HG3  . GLU Axp A 175 ? 113.462 6.487  1.996   1 73.034  ? 196 A 1 c
ATOM 2682 H HG2  . GLU Axp A 175 ? 113.131 5.121  1.271   1 73.058  ? 196 A 1 c
ATOM 2683 N N    . ALA Axp A 176 ? 112.039 2.879  3.865   1 79.679  ? 197 A 1 .
ATOM 2684 C CA   . ALA Axp A 176 ? 110.861 2.151  3.42    1 80.111  ? 197 A 1 .
ATOM 2685 C C    . ALA Axp A 176 ? 109.719 2.147  4.445   1 80.99   ? 197 A 1 .
ATOM 2686 O O    . ALA Axp A 176 ? 108.755 1.391  4.273   1 75.042  ? 197 A 1 .
ATOM 2687 C CB   . ALA Axp A 176 ? 111.28  0.733  3.072   1 83.915  ? 197 A 1 .
ATOM 2688 H H    . ALA Axp A 176 ? 112.731 2.402  4.223   1 79.757  ? 197 A 1 c
ATOM 2689 H HA   . ALA Axp A 176 ? 110.523 2.592  2.592   1 80.834  ? 197 A 1 c
ATOM 2690 H HB3  . ALA Axp A 176 ? 110.568 0.293  2.578   1 82.728  ? 197 A 1 c
ATOM 2691 H HB2  . ALA Axp A 176 ? 111.459 0.236  3.888   1 82.753  ? 197 A 1 c
ATOM 2692 H HB1  . ALA Axp A 176 ? 112.083 0.755  2.526   1 82.761  ? 197 A 1 c
ATOM 2693 N N    . ARG Axp A 177 ? 109.832 2.953  5.513   1 80.838  ? 198 A 1 .
ATOM 2694 C CA   . ARG Axp A 177 ? 108.825 2.989  6.567   1 81.372  ? 198 A 1 .
ATOM 2695 C C    . ARG Axp A 177 ? 108.455 4.439  6.853   1 81.392  ? 198 A 1 .
ATOM 2696 O O    . ARG Axp A 177 ? 107.298 4.819  6.69    1 86.75   ? 198 A 1 .
ATOM 2697 C CB   . ARG Axp A 177 ? 109.334 2.32   7.849   1 82.167  ? 198 A 1 .
ATOM 2698 C CG   . ARG Axp A 177 ? 109.683 0.841  7.704   1 87.799  ? 198 A 1 .
ATOM 2699 C CD   . ARG Axp A 177 ? 108.471 -0.084 7.687   1 86.334  ? 198 A 1 .
ATOM 2700 N NE   . ARG Axp A 177 ? 107.716 0.039  8.94    1 88.704  ? 198 A 1 .
ATOM 2701 C CZ   . ARG Axp A 177 ? 106.425 0.355  9.097   1 93.352  ? 198 A 1 .
ATOM 2702 N NH1  . ARG Axp A 177 ? 105.595 0.345  8.073   1 87.997  ? 198 A 1 .
ATOM 2703 N NH2  . ARG Axp A 177 ? 105.954 0.647  10.298  1 96.95   ? 198 A 1 .
ATOM 2704 H H    . ARG Axp A 177 ? 110.565 3.492  5.592   1 80.93   ? 198 A 1 c
ATOM 2705 H HA   . ARG Axp A 177 ? 108.016 2.512  6.252   1 81.402  ? 198 A 1 c
ATOM 2706 H HB3  . ARG Axp A 177 ? 108.646 2.415  8.54    1 83.208  ? 198 A 1 c
ATOM 2707 H HB2  . ARG Axp A 177 ? 110.132 2.798  8.158   1 83.17   ? 198 A 1 c
ATOM 2708 H HG3  . ARG Axp A 177 ? 110.267 0.578  8.445   1 86.002  ? 198 A 1 c
ATOM 2709 H HG2  . ARG Axp A 177 ? 110.19  0.711  6.874   1 86.075  ? 198 A 1 c
ATOM 2710 H HD3  . ARG Axp A 177 ? 108.766 -1.011 7.575   1 87.223  ? 198 A 1 c
ATOM 2711 H HD2  . ARG Axp A 177 ? 107.893 0.147  6.932   1 87.251  ? 198 A 1 c
ATOM 2712 H HE   . ARG Axp A 177 ? 108.15  -0.134 9.671   1 89.154  ? 198 A 1 c
ATOM 2713 H HH11 . ARG Axp A 177 ? 105.557 -0.364 7.546   1 89.612  ? 198 A 1 c
ATOM 2714 H HH12 . ARG Axp A 177 ? 105.08  1.046  7.918   1 89.612  ? 198 A 1 c
ATOM 2715 H HH21 . ARG Axp A 177 ? 106.394 1.215  10.812  1 94.978  ? 198 A 1 c
ATOM 2716 H HH22 . ARG Axp A 177 ? 105.2   0.279  10.573  1 94.987  ? 198 A 1 c
ATOM 2717 N N    . VAL Axp A 178 ? 109.472 5.218  7.255   1 78.003  ? 199 A 1 .
ATOM 2718 C CA   . VAL Axp A 178 ? 109.387 6.63   7.611   1 76.102  ? 199 A 1 .
ATOM 2719 C C    . VAL Axp A 178 ? 108.041 7.256  7.22    1 85.446  ? 199 A 1 .
ATOM 2720 O O    . VAL Axp A 178 ? 107.394 7.858  8.078   1 92.881  ? 199 A 1 .
ATOM 2721 C CB   . VAL Axp A 178 ? 110.593 7.422  7.05    1 66.935  ? 199 A 1 .
ATOM 2722 C CG1  . VAL Axp A 178 ? 110.759 7.276  5.545   1 73.863  ? 199 A 1 .
ATOM 2723 C CG2  . VAL Axp A 178 ? 110.548 8.899  7.407   1 62.648  ? 199 A 1 .
ATOM 2724 H H    . VAL Axp A 178 ? 110.298 4.831  7.299   1 78.49   ? 199 A 1 c
ATOM 2725 H HA   . VAL Axp A 178 ? 109.448 6.676  8.586   1 76.398  ? 199 A 1 c
ATOM 2726 H HB   . VAL Axp A 178 ? 111.402 7.046  7.47    1 68.951  ? 199 A 1 c
ATOM 2727 H HG11 . VAL Axp A 178 ? 110.154 7.884  5.089   1 71.7    ? 199 A 1 c
ATOM 2728 H HG12 . VAL Axp A 178 ? 110.555 6.364  5.284   1 71.791  ? 199 A 1 c
ATOM 2729 H HG13 . VAL Axp A 178 ? 111.675 7.485  5.298   1 71.745  ? 199 A 1 c
ATOM 2730 H HG21 . VAL Axp A 178 ? 111.43  9.288  7.29    1 63.923  ? 199 A 1 c
ATOM 2731 H HG22 . VAL Axp A 178 ? 110.271 9      8.333   1 63.956  ? 199 A 1 c
ATOM 2732 H HG23 . VAL Axp A 178 ? 109.913 9.355  6.829   1 64.065  ? 199 A 1 c
ATOM 2733 N N    . LEU Axp A 179 ? 107.616 7.163  5.949   1 80.853  ? 200 A 1 .
ATOM 2734 C CA   . LEU Axp A 179 ? 106.377 7.816  5.537   1 75.675  ? 200 A 1 .
ATOM 2735 C C    . LEU Axp A 179 ? 105.211 7.315  6.4     1 75.308  ? 200 A 1 .
ATOM 2736 O O    . LEU Axp A 179 ? 104.496 8.1    7.016   1 66.494  ? 200 A 1 .
ATOM 2737 C CB   . LEU Axp A 179 ? 106.117 7.629  4.044   1 78.867  ? 200 A 1 .
ATOM 2738 C CG   . LEU Axp A 179 ? 105.277 8.712  3.343   1 85.077  ? 200 A 1 .
ATOM 2739 C CD1  . LEU Axp A 179 ? 104.804 8.211  1.978   1 93.951  ? 200 A 1 .
ATOM 2740 C CD2  . LEU Axp A 179 ? 104.077 9.202  4.141   1 78.986  ? 200 A 1 .
ATOM 2741 H H    . LEU Axp A 179 ? 108.101 6.691  5.334   1 80.593  ? 200 A 1 c
ATOM 2742 H HA   . LEU Axp A 179 ? 106.482 8.785  5.715   1 77.24   ? 200 A 1 c
ATOM 2743 H HB3  . LEU Axp A 179 ? 105.669 6.761  3.919   1 79.6    ? 200 A 1 c
ATOM 2744 H HB2  . LEU Axp A 179 ? 106.987 7.573  3.587   1 79.515  ? 200 A 1 c
ATOM 2745 H HG   . LEU Axp A 179 ? 105.866 9.495  3.185   1 84.283  ? 200 A 1 c
ATOM 2746 H HD11 . LEU Axp A 179 ? 105.561 8.157  1.372   1 90.904  ? 200 A 1 c
ATOM 2747 H HD12 . LEU Axp A 179 ? 104.143 8.825  1.616   1 90.773  ? 200 A 1 c
ATOM 2748 H HD13 . LEU Axp A 179 ? 104.405 7.33   2.075   1 91.012  ? 200 A 1 c
ATOM 2749 H HD21 . LEU Axp A 179 ? 104.383 9.673  4.934   1 80.626  ? 200 A 1 c
ATOM 2750 H HD22 . LEU Axp A 179 ? 103.529 8.444  4.406   1 80.712  ? 200 A 1 c
ATOM 2751 H HD23 . LEU Axp A 179 ? 103.548 9.806  3.594   1 80.853  ? 200 A 1 c
ATOM 2752 N N    . ASP Axp A 180 ? 105.037 5.995  6.488   1 95.199  ? 201 A 1 .
ATOM 2753 C CA   . ASP Axp A 180 ? 103.996 5.41   7.332   1 102.718 ? 201 A 1 .
ATOM 2754 C C    . ASP Axp A 180 ? 104.145 5.883  8.785   1 95.629  ? 201 A 1 .
ATOM 2755 O O    . ASP Axp A 180 ? 103.138 6.075  9.473   1 82.02   ? 201 A 1 .
ATOM 2756 C CB   . ASP Axp A 180 ? 103.988 3.885  7.279   1 103.251 ? 201 A 1 .
ATOM 2757 C CG   . ASP Axp A 180 ? 103.696 3.196  5.948   1 91.699  ? 201 A 1 .
ATOM 2758 O OD1  . ASP Axp A 180 ? 103.184 3.84   5.024   1 91.778  ? 201 A 1 .
ATOM 2759 O OD2  . ASP Axp A 180 ? 104.014 2.008  5.838   1 82.412  ? 201 A 1 .
ATOM 2760 H H    . ASP Axp A 180 ? 105.58  5.438  6.008   1 91.43   ? 201 A 1 c
ATOM 2761 H HA   . ASP Axp A 180 ? 103.128 5.72   6.999   1 99.546  ? 201 A 1 c
ATOM 2762 H HB3  . ASP Axp A 180 ? 103.322 3.565  7.924   1 100.323 ? 201 A 1 c
ATOM 2763 H HB2  . ASP Axp A 180 ? 104.864 3.57   7.585   1 100.345 ? 201 A 1 c
ATOM 2764 N N    . THR Axp A 181 ? 105.404 6.049  9.24    1 92.842  ? 202 A 1 .
ATOM 2765 C CA   . THR Axp A 181 ? 105.725 6.457  10.606  1 87.58   ? 202 A 1 .
ATOM 2766 C C    . THR Axp A 181 ? 105.338 7.92   10.833  1 79.078  ? 202 A 1 .
ATOM 2767 O O    . THR Axp A 181 ? 104.415 8.209  11.588  1 80.074  ? 202 A 1 .
ATOM 2768 C CB   . THR Axp A 181 ? 107.208 6.231  10.931  1 77.518  ? 202 A 1 .
ATOM 2769 O OG1  . THR Axp A 181 ? 107.577 4.885  10.626  1 68.91   ? 202 A 1 .
ATOM 2770 C CG2  . THR Axp A 181 ? 107.513 6.554  12.385  1 73.281  ? 202 A 1 .
ATOM 2771 H H    . THR Axp A 181 ? 106.098 5.879  8.67    1 92.116  ? 202 A 1 c
ATOM 2772 H HA   . THR Axp A 181 ? 105.193 5.902  11.217  1 84.946  ? 202 A 1 c
ATOM 2773 H HB   . THR Axp A 181 ? 107.755 6.835  10.375  1 76.655  ? 202 A 1 c
ATOM 2774 H HG1  . THR Axp A 181 ? 107.167 4.422  11.023  0 54.35   ? 202 A 1 c
ATOM 2775 H HG21 . THR Axp A 181 ? 108.284 6.039  12.677  1 74.508  ? 202 A 1 c
ATOM 2776 H HG22 . THR Axp A 181 ? 106.746 6.327  12.937  1 74.643  ? 202 A 1 c
ATOM 2777 H HG23 . THR Axp A 181 ? 107.706 7.502  12.474  1 74.552  ? 202 A 1 c
ATOM 2778 N N    . LEU Axp A 182 ? 106.063 8.839  10.187  1 70.627  ? 203 A 1 .
ATOM 2779 C CA   . LEU Axp A 182 ? 105.794 10.262 10.313  1 68.729  ? 203 A 1 .
ATOM 2780 C C    . LEU Axp A 182 ? 104.294 10.554 10.206  1 69.631  ? 203 A 1 .
ATOM 2781 O O    . LEU Axp A 182 ? 103.736 11.258 11.043  1 66.413  ? 203 A 1 .
ATOM 2782 C CB   . LEU Axp A 182 ? 106.589 11.008 9.247   1 63.725  ? 203 A 1 .
ATOM 2783 C CG   . LEU Axp A 182 ? 108.108 11.023 9.448   1 68.958  ? 203 A 1 .
ATOM 2784 C CD1  . LEU Axp A 182 ? 108.806 11.876 8.392   1 74.385  ? 203 A 1 .
ATOM 2785 C CD2  . LEU Axp A 182 ? 108.509 11.505 10.839  1 67.953  ? 203 A 1 .
ATOM 2786 H H    . LEU Axp A 182 ? 106.738 8.568  9.634   1 72.167  ? 203 A 1 c
ATOM 2787 H HA   . LEU Axp A 182 ? 106.099 10.553 11.208  1 68.311  ? 203 A 1 c
ATOM 2788 H HB3  . LEU Axp A 182 ? 106.269 11.94  9.221   1 66.025  ? 203 A 1 c
ATOM 2789 H HB2  . LEU Axp A 182 ? 106.394 10.598 8.374   1 66.01   ? 203 A 1 c
ATOM 2790 H HG   . LEU Axp A 182 ? 108.437 10.094 9.346   1 68.728  ? 203 A 1 c
ATOM 2791 H HD11 . LEU Axp A 182 ? 108.401 11.715 7.523   1 72.683  ? 203 A 1 c
ATOM 2792 H HD12 . LEU Axp A 182 ? 109.749 11.642 8.357   1 72.605  ? 203 A 1 c
ATOM 2793 H HD13 . LEU Axp A 182 ? 108.716 12.816 8.621   1 72.563  ? 203 A 1 c
ATOM 2794 H HD21 . LEU Axp A 182 ? 108.409 10.778 11.477  1 68.218  ? 203 A 1 c
ATOM 2795 H HD22 . LEU Axp A 182 ? 107.938 12.243 11.1    1 68.094  ? 203 A 1 c
ATOM 2796 H HD23 . LEU Axp A 182 ? 109.435 11.8   10.828  1 68.245  ? 203 A 1 c
ATOM 2797 N N    . VAL Axp A 183 ? 103.629 9.98   9.202   1 64.73   ? 204 A 1 .
ATOM 2798 C CA   . VAL Axp A 183 ? 102.203 10.209 9.023   1 70.319  ? 204 A 1 .
ATOM 2799 C C    . VAL Axp A 183 ? 101.43  9.886  10.31   1 70.844  ? 204 A 1 .
ATOM 2800 O O    . VAL Axp A 183 ? 100.49  10.59  10.686  1 61.941  ? 204 A 1 .
ATOM 2801 C CB   . VAL Axp A 183 ? 101.612 9.407  7.849   1 68.872  ? 204 A 1 .
ATOM 2802 C CG1  . VAL Axp A 183 ? 101.009 8.08   8.326   1 73.751  ? 204 A 1 .
ATOM 2803 C CG2  . VAL Axp A 183 ? 100.592 10.23  7.07    1 57.991  ? 204 A 1 .
ATOM 2804 H H    . VAL Axp A 183 ? 104.071 9.436  8.615   1 67.151  ? 204 A 1 c
ATOM 2805 H HA   . VAL Axp A 183 ? 102.079 11.159 8.83    1 68.904  ? 204 A 1 c
ATOM 2806 H HB   . VAL Axp A 183 ? 102.351 9.198  7.236   1 67.759  ? 204 A 1 c
ATOM 2807 H HG11 . VAL Axp A 183 ? 100.288 8.252  8.954   1 72.289  ? 204 A 1 c
ATOM 2808 H HG12 . VAL Axp A 183 ? 101.694 7.546  8.755   1 72.34   ? 204 A 1 c
ATOM 2809 H HG13 . VAL Axp A 183 ? 100.657 7.597  7.565   1 72.239  ? 204 A 1 c
ATOM 2810 H HG21 . VAL Axp A 183 ? 100.033 9.638  6.542   1 61.579  ? 204 A 1 c
ATOM 2811 H HG22 . VAL Axp A 183 ? 101.056 10.848 6.485   1 61.412  ? 204 A 1 c
ATOM 2812 H HG23 . VAL Axp A 183 ? 100.035 10.729 7.691   1 61.283  ? 204 A 1 c
ATOM 2813 N N    . HIS Axp A 184 ? 101.804 8.797  10.984  1 73.78   ? 205 A 1 .
ATOM 2814 C CA   . HIS Axp A 184 ? 101.095 8.378  12.183  1 67.198  ? 205 A 1 .
ATOM 2815 C C    . HIS Axp A 184 ? 101.164 9.475  13.242  1 64.989  ? 205 A 1 .
ATOM 2816 O O    . HIS Axp A 184 ? 100.149 10.03  13.645  1 64.897  ? 205 A 1 .
ATOM 2817 C CB   . HIS Axp A 184 ? 101.684 7.071  12.715  1 63.565  ? 205 A 1 .
ATOM 2818 C CG   . HIS Axp A 184 ? 101.166 6.67   14.05   1 61.902  ? 205 A 1 .
ATOM 2819 N ND1  . HIS Axp A 184 ? 100.203 5.698  14.224  1 66.362  ? 205 A 1 .
ATOM 2820 C CD2  . HIS Axp A 184 ? 101.518 7.061  15.271  1 65.448  ? 205 A 1 .
ATOM 2821 C CE1  . HIS Axp A 184 ? 99.989  5.505  15.517  1 65.556  ? 205 A 1 .
ATOM 2822 N NE2  . HIS Axp A 184 ? 100.761 6.34   16.172  1 69.806  ? 205 A 1 .
ATOM 2823 H H    . HIS Axp A 184 ? 102.518 8.305  10.697  1 71.425  ? 205 A 1 c
ATOM 2824 H HA   . HIS Axp A 184 ? 100.145 8.233  11.947  1 67.308  ? 205 A 1 c
ATOM 2825 H HB3  . HIS Axp A 184 ? 102.657 7.167  12.77   1 64.222  ? 205 A 1 c
ATOM 2826 H HB2  . HIS Axp A 184 ? 101.491 6.355  12.071  1 64.019  ? 205 A 1 c
ATOM 2827 H HD1  . HIS Axp A 184 ? 99.855  5.385  13.496  0 51.98   ? 205 A 1 c
ATOM 2828 H HD2  . HIS Axp A 184 ? 102.155 7.712  15.489  1 65.542  ? 205 A 1 c
ATOM 2829 H HE1  . HIS Axp A 184 ? 99.36   4.915  15.897  1 66.906  ? 205 A 1 c
ATOM 2830 H HE2  . HIS Axp A 184 ? 100.908 6.508  16.977  0 51.44   ? 205 A 1 c
ATOM 2831 N N    . ILE Axp A 185 ? 102.39  9.807  13.643  1 68.209  ? 206 A 1 .
ATOM 2832 C CA   . ILE Axp A 185 ? 102.668 10.774 14.689  1 64.347  ? 206 A 1 .
ATOM 2833 C C    . ILE Axp A 185 ? 101.93  12.084 14.413  1 67.48   ? 206 A 1 .
ATOM 2834 O O    . ILE Axp A 185 ? 101.293 12.607 15.323  1 61.545  ? 206 A 1 .
ATOM 2835 C CB   . ILE Axp A 185 ? 104.189 10.984 14.798  1 63.193  ? 206 A 1 .
ATOM 2836 C CG1  . ILE Axp A 185 ? 104.889 9.627  14.791  1 60.643  ? 206 A 1 .
ATOM 2837 C CG2  . ILE Axp A 185 ? 104.547 11.847 16.015  1 63.638  ? 206 A 1 .
ATOM 2838 C CD1  . ILE Axp A 185 ? 106.352 9.639  15.153  1 62.267  ? 206 A 1 .
ATOM 2839 H H    . ILE Axp A 185 ? 103.096 9.421  13.211  1 66.435  ? 206 A 1 c
ATOM 2840 H HA   . ILE Axp A 185 ? 102.346 10.41  15.537  1 65.413  ? 206 A 1 c
ATOM 2841 H HB   . ILE Axp A 185 ? 104.476 11.467 13.998  1 63      ? 206 A 1 c
ATOM 2842 H HG12 . ILE Axp A 185 ? 104.806 9.239  13.898  1 61.762  ? 206 A 1 c
ATOM 2843 H HG13 . ILE Axp A 185 ? 104.421 9.035  15.414  1 61.637  ? 206 A 1 c
ATOM 2844 H HG21 . ILE Axp A 185 ? 105.354 12.356 15.827  1 63.492  ? 206 A 1 c
ATOM 2845 H HG22 . ILE Axp A 185 ? 104.7   11.276 16.787  1 63.475  ? 206 A 1 c
ATOM 2846 H HG23 . ILE Axp A 185 ? 103.82  12.461 16.21   1 63.513  ? 206 A 1 c
ATOM 2847 H HD11 . ILE Axp A 185 ? 106.874 9.624  14.33   1 61.848  ? 206 A 1 c
ATOM 2848 H HD12 . ILE Axp A 185 ? 106.561 8.847  15.682  1 61.999  ? 206 A 1 c
ATOM 2849 H HD13 . ILE Axp A 185 ? 106.579 10.438 15.663  1 62      ? 206 A 1 c
ATOM 2850 N N    . TRP Axp A 186 ? 102.036 12.615 13.178  1 70.688  ? 207 A 1 .
ATOM 2851 C CA   . TRP Axp A 186 ? 101.389 13.872 12.813  1 65.772  ? 207 A 1 .
ATOM 2852 C C    . TRP Axp A 186 ? 99.918  13.826 13.216  1 63.526  ? 207 A 1 .
ATOM 2853 O O    . TRP Axp A 186 ? 99.464  14.661 13.986  1 65.656  ? 207 A 1 .
ATOM 2854 C CB   . TRP Axp A 186 ? 101.559 14.213 11.321  1 59.849  ? 207 A 1 .
ATOM 2855 C CG   . TRP Axp A 186 ? 102.853 14.92  10.987  1 60.003  ? 207 A 1 .
ATOM 2856 C CD1  . TRP Axp A 186 ? 104.125 14.525 11.289  1 61.756  ? 207 A 1 .
ATOM 2857 C CD2  . TRP Axp A 186 ? 102.998 16.177 10.28   1 63.979  ? 207 A 1 .
ATOM 2858 N NE1  . TRP Axp A 186 ? 105.044 15.437 10.835  1 61.939  ? 207 A 1 .
ATOM 2859 C CE2  . TRP Axp A 186 ? 104.383 16.455 10.196  1 64.107  ? 207 A 1 .
ATOM 2860 C CE3  . TRP Axp A 186 ? 102.099 17.082 9.696   1 60.468  ? 207 A 1 .
ATOM 2861 C CZ2  . TRP Axp A 186 ? 104.867 17.607 9.575   1 63.163  ? 207 A 1 .
ATOM 2862 C CZ3  . TRP Axp A 186 ? 102.579 18.202 9.053   1 53.783  ? 207 A 1 .
ATOM 2863 C CH2  . TRP Axp A 186 ? 103.944 18.459 8.998   1 60.765  ? 207 A 1 .
ATOM 2864 H H    . TRP Axp A 186 ? 102.533 12.178 12.547  1 68.628  ? 207 A 1 c
ATOM 2865 H HA   . TRP Axp A 186 ? 101.825 14.594 13.338  1 65.099  ? 207 A 1 c
ATOM 2866 H HB3  . TRP Axp A 186 ? 100.809 14.781 11.043  1 61.194  ? 207 A 1 c
ATOM 2867 H HB2  . TRP Axp A 186 ? 101.51  13.381 10.803  1 61.222  ? 207 A 1 c
ATOM 2868 H HD1  . TRP Axp A 186 ? 104.347 13.74  11.764  1 61.445  ? 207 A 1 c
ATOM 2869 H HE1  . TRP Axp A 186 ? 105.906 15.367 10.931  1 62.235  ? 207 A 1 c
ATOM 2870 H HE3  . TRP Axp A 186 ? 101.173 16.91  9.723   1 59.624  ? 207 A 1 c
ATOM 2871 H HZ2  . TRP Axp A 186 ? 105.791 17.781 9.523   1 62.628  ? 207 A 1 c
ATOM 2872 H HZ3  . TRP Axp A 186 ? 101.974 18.815 8.667   1 56.998  ? 207 A 1 c
ATOM 2873 H HH2  . TRP Axp A 186 ? 104.247 19.24  8.57    1 59.644  ? 207 A 1 c
ATOM 2874 N N    . VAL Axp A 187 ? 99.203  12.801 12.751  1 61.863  ? 208 A 1 .
ATOM 2875 C CA   . VAL Axp A 187 ? 97.773  12.68  12.984  1 63.926  ? 208 A 1 .
ATOM 2876 C C    . VAL Axp A 187 ? 97.459  12.479 14.465  1 62.84   ? 208 A 1 .
ATOM 2877 O O    . VAL Axp A 187 ? 96.673  13.23  15.042  1 68.799  ? 208 A 1 .
ATOM 2878 C CB   . VAL Axp A 187 ? 97.172  11.501 12.205  1 66.043  ? 208 A 1 .
ATOM 2879 C CG1  . VAL Axp A 187 ? 95.716  11.287 12.592  1 67.109  ? 208 A 1 .
ATOM 2880 C CG2  . VAL Axp A 187 ? 97.319  11.64  10.695  1 66.739  ? 208 A 1 .
ATOM 2881 H H    . VAL Axp A 187 ? 99.625  12.147 12.272  1 62.856  ? 208 A 1 c
ATOM 2882 H HA   . VAL Axp A 187 ? 97.342  13.503 12.684  1 63.724  ? 208 A 1 c
ATOM 2883 H HB   . VAL Axp A 187 ? 97.67   10.694 12.474  1 65.852  ? 208 A 1 c
ATOM 2884 H HG11 . VAL Axp A 187 ? 95.232  12.122 12.509  1 66.886  ? 208 A 1 c
ATOM 2885 H HG12 . VAL Axp A 187 ? 95.662  10.97  13.509  1 66.792  ? 208 A 1 c
ATOM 2886 H HG13 . VAL Axp A 187 ? 95.319  10.626 12      1 66.81   ? 208 A 1 c
ATOM 2887 H HG21 . VAL Axp A 187 ? 97.239  10.765 10.279  1 66.75   ? 208 A 1 c
ATOM 2888 H HG22 . VAL Axp A 187 ? 98.188  12.019 10.484  1 66.51   ? 208 A 1 c
ATOM 2889 H HG23 . VAL Axp A 187 ? 96.621  12.224 10.353  1 66.573  ? 208 A 1 c
ATOM 2890 N N    . THR Axp A 188 ? 98.02   11.417 15.05   1 54.298  ? 209 A 1 .
ATOM 2891 C CA   . THR Axp A 188 ? 97.683  11.03  16.405  1 61.15   ? 209 A 1 .
ATOM 2892 C C    . THR Axp A 188 ? 97.879  12.187 17.379  1 65.662  ? 209 A 1 .
ATOM 2893 O O    . THR Axp A 188 ? 97.277  12.165 18.443  1 78.394  ? 209 A 1 .
ATOM 2894 C CB   . THR Axp A 188 ? 98.502  9.812  16.822  1 64.132  ? 209 A 1 .
ATOM 2895 O OG1  . THR Axp A 188 ? 99.885  10.154 16.762  1 67.854  ? 209 A 1 .
ATOM 2896 C CG2  . THR Axp A 188 ? 98.187  8.62   15.938  1 66.164  ? 209 A 1 .
ATOM 2897 H H    . THR Axp A 188 ? 98.639  10.927 14.59   1 57.997  ? 209 A 1 c
ATOM 2898 H HA   . THR Axp A 188 ? 96.734  10.777 16.417  1 61.1    ? 209 A 1 c
ATOM 2899 H HB   . THR Axp A 188 ? 98.269  9.575  17.75   1 64.66   ? 209 A 1 c
ATOM 2900 H HG1  . THR Axp A 188 ? 100.119 10.387 15.877  0 44.6    ? 209 A 1 c
ATOM 2901 H HG21 . THR Axp A 188 ? 98.003  7.845  16.494  1 65.529  ? 209 A 1 c
ATOM 2902 H HG22 . THR Axp A 188 ? 98.948  8.431  15.363  1 65.538  ? 209 A 1 c
ATOM 2903 H HG23 . THR Axp A 188 ? 97.409  8.815  15.389  1 65.433  ? 209 A 1 c
ATOM 2904 N N    . SER Axp A 189 ? 98.715  13.174 17.044  1 61.215  ? 210 A 1 .
ATOM 2905 C CA   . SER Axp A 189 ? 98.96   14.296 17.938  1 64.482  ? 210 A 1 .
ATOM 2906 C C    . SER Axp A 189 ? 98.156  15.535 17.533  1 64.891  ? 210 A 1 .
ATOM 2907 O O    . SER Axp A 189 ? 97.895  16.427 18.352  1 60.416  ? 210 A 1 .
ATOM 2908 C CB   . SER Axp A 189 ? 100.416 14.612 17.957  1 70.44   ? 210 A 1 .
ATOM 2909 O OG   . SER Axp A 189 ? 100.754 15.312 16.769  1 80.78   ? 210 A 1 .
ATOM 2910 H H    . SER Axp A 189 ? 99.175  13.132 16.255  1 62.972  ? 210 A 1 c
ATOM 2911 H HA   . SER Axp A 189 ? 98.683  14.037 18.85   1 65.101  ? 210 A 1 c
ATOM 2912 H HB3  . SER Axp A 189 ? 100.931 13.786 18.011  1 71.204  ? 210 A 1 c
ATOM 2913 H HB2  . SER Axp A 189 ? 100.622 15.163 18.736  1 71.293  ? 210 A 1 c
ATOM 2914 H HG   . SER Axp A 189 ? 101.555 15.552 16.764  0 52.23   ? 210 A 1 c
ATOM 2915 N N    . ILE Axp A 190 ? 97.822  15.614 16.242  1 66.313  ? 211 A 1 .
ATOM 2916 C CA   . ILE Axp A 190 ? 97.024  16.711 15.723  1 68.493  ? 211 A 1 .
ATOM 2917 C C    . ILE Axp A 190 ? 95.594  16.575 16.241  1 78.407  ? 211 A 1 .
ATOM 2918 O O    . ILE Axp A 190 ? 95.057  17.513 16.859  1 74.485  ? 211 A 1 .
ATOM 2919 C CB   . ILE Axp A 190 ? 97.086  16.745 14.185  1 63.765  ? 211 A 1 .
ATOM 2920 C CG1  . ILE Axp A 190 ? 98.392  17.369 13.721  1 69.769  ? 211 A 1 .
ATOM 2921 C CG2  . ILE Axp A 190 ? 95.893  17.489 13.594  1 63.635  ? 211 A 1 .
ATOM 2922 C CD1  . ILE Axp A 190 ? 98.503  17.552 12.221  1 74.047  ? 211 A 1 .
ATOM 2923 H H    . ILE Axp A 190 ? 98.112  14.971 15.661  1 66.326  ? 211 A 1 c
ATOM 2924 H HA   . ILE Axp A 190 ? 97.396  17.548 16.063  1 68.751  ? 211 A 1 c
ATOM 2925 H HB   . ILE Axp A 190 ? 97.06   15.823 13.86   1 65.69   ? 211 A 1 c
ATOM 2926 H HG12 . ILE Axp A 190 ? 99.135  16.812 14.026  1 69.268  ? 211 A 1 c
ATOM 2927 H HG13 . ILE Axp A 190 ? 98.485  18.245 14.148  1 69.326  ? 211 A 1 c
ATOM 2928 H HG21 . ILE Axp A 190 ? 95.996  17.563 12.631  1 63.905  ? 211 A 1 c
ATOM 2929 H HG22 . ILE Axp A 190 ? 95.839  18.379 13.981  1 63.819  ? 211 A 1 c
ATOM 2930 H HG23 . ILE Axp A 190 ? 95.074  17.004 13.788  1 63.912  ? 211 A 1 c
ATOM 2931 H HD11 . ILE Axp A 190 ? 98.095  16.789 11.77   1 72.682  ? 211 A 1 c
ATOM 2932 H HD12 . ILE Axp A 190 ? 99.445  17.609 11.971  1 72.73   ? 211 A 1 c
ATOM 2933 H HD13 . ILE Axp A 190 ? 98.048  18.37  11.949  1 72.704  ? 211 A 1 c
ATOM 2934 N N    . TYR Axp A 191 ? 95.021  15.385 15.974  1 75.07   ? 212 A 1 .
ATOM 2935 C CA   . TYR Axp A 191 ? 93.653  15.066 16.337  1 67.657  ? 212 A 1 .
ATOM 2936 C C    . TYR Axp A 191 ? 93.622  14.417 17.721  1 68.831  ? 212 A 1 .
ATOM 2937 O O    . TYR Axp A 191 ? 92.57   14.351 18.334  1 67.672  ? 212 A 1 .
ATOM 2938 C CB   . TYR Axp A 191 ? 93.017  14.194 15.251  1 67.614  ? 212 A 1 .
ATOM 2939 C CG   . TYR Axp A 191 ? 93.011  14.795 13.847  1 75.328  ? 212 A 1 .
ATOM 2940 C CD1  . TYR Axp A 191 ? 91.991  15.642 13.402  1 81.806  ? 212 A 1 .
ATOM 2941 C CD2  . TYR Axp A 191 ? 94.021  14.495 12.94   1 74.969  ? 212 A 1 .
ATOM 2942 C CE1  . TYR Axp A 191 ? 91.994  16.172 12.114  1 74.828  ? 212 A 1 .
ATOM 2943 C CE2  . TYR Axp A 191 ? 94.02   15.001 11.646  1 68.085  ? 212 A 1 .
ATOM 2944 C CZ   . TYR Axp A 191 ? 93.008  15.849 11.225  1 68.004  ? 212 A 1 .
ATOM 2945 O OH   . TYR Axp A 191 ? 93.035  16.382 9.954   1 64.873  ? 212 A 1 .
ATOM 2946 H H    . TYR Axp A 191 ? 95.512  14.75  15.538  1 73.92   ? 212 A 1 c
ATOM 2947 H HA   . TYR Axp A 191 ? 93.145  15.911 16.379  1 69.329  ? 212 A 1 c
ATOM 2948 H HB3  . TYR Axp A 191 ? 92.09   14.005 15.515  1 69.524  ? 212 A 1 c
ATOM 2949 H HB2  . TYR Axp A 191 ? 93.497  13.336 15.224  1 69.349  ? 212 A 1 c
ATOM 2950 H HD1  . TYR Axp A 191 ? 91.289  15.868 13.99   1 78.356  ? 212 A 1 c
ATOM 2951 H HD2  . TYR Axp A 191 ? 94.716  13.917 13.205  1 73.23   ? 212 A 1 c
ATOM 2952 H HE1  . TYR Axp A 191 ? 91.299  16.746 11.841  1 74.609  ? 212 A 1 c
ATOM 2953 H HE2  . TYR Axp A 191 ? 94.726  14.789 11.059  1 69.72   ? 212 A 1 c
ATOM 2954 H HH   . TYR Axp A 191 ? 92.338  16.941 9.847   0 41.17   ? 212 A 1 c
ATOM 2955 N N    . GLY Axp A 192 ? 94.762  13.958 18.242  1 78.671  ? 213 A 1 .
ATOM 2956 C CA   . GLY Axp A 192 ? 94.812  13.334 19.562  1 90.08   ? 213 A 1 .
ATOM 2957 C C    . GLY Axp A 192 ? 94.275  14.22  20.691  1 90.203  ? 213 A 1 .
ATOM 2958 O O    . GLY Axp A 192 ? 94.361  15.446 20.622  1 85.474  ? 213 A 1 .
ATOM 2959 H H    . GLY Axp A 192 ? 95.537  14.029 17.764  1 78.416  ? 213 A 1 c
ATOM 2960 H HA3  . GLY Axp A 192 ? 95.744  13.096 19.763  1 87.183  ? 213 A 1 c
ATOM 2961 H HA2  . GLY Axp A 192 ? 94.292  12.497 19.533  1 87.266  ? 213 A 1 c
ATOM 2962 N N    . GLU Axp A 193 ? 93.755  13.567 21.744  1 91.968  ? 214 A 1 .
ATOM 2963 C CA   . GLU Axp A 193 ? 93.048  14.247 22.819  1 97.996  ? 214 A 1 .
ATOM 2964 C C    . GLU Axp A 193 ? 93.983  14.486 24.001  1 100.822 ? 214 A 1 .
ATOM 2965 O O    . GLU Axp A 193 ? 94.27   15.629 24.346  1 97.678  ? 214 A 1 .
ATOM 2966 C CB   . GLU Axp A 193 ? 91.812  13.459 23.261  1 102.167 ? 214 A 1 .
ATOM 2967 C CG   . GLU Axp A 193 ? 90.8    14.324 24.01   1 105.269 ? 214 A 1 .
ATOM 2968 C CD   . GLU Axp A 193 ? 90.258  15.428 23.116  1 101.581 ? 214 A 1 .
ATOM 2969 O OE1  . GLU Axp A 193 ? 89.463  15.122 22.204  1 94.941  ? 214 A 1 .
ATOM 2970 O OE2  . GLU Axp A 193 ? 90.674  16.59  23.285  1 98.518  ? 214 A 1 .
ATOM 2971 H H    . GLU Axp A 193 ? 93.851  12.66  21.793  1 92.801  ? 214 A 1 c
ATOM 2972 H HA   . GLU Axp A 193 ? 92.75   15.127 22.48   1 97.937  ? 214 A 1 c
ATOM 2973 H HB3  . GLU Axp A 193 ? 92.086  12.713 23.83   1 102.12  ? 214 A 1 c
ATOM 2974 H HB2  . GLU Axp A 193 ? 91.378  13.084 22.466  1 101.939 ? 214 A 1 c
ATOM 2975 H HG3  . GLU Axp A 193 ? 91.229  14.728 24.794  1 103.667 ? 214 A 1 c
ATOM 2976 H HG2  . GLU Axp A 193 ? 90.055  13.765 24.317  1 103.703 ? 214 A 1 c
ATOM 2977 N N    . ASN Axp A 194 ? 94.397  13.4   24.665  1 119.154 ? 215 A 1 .
ATOM 2978 C CA   . ASN Axp A 194 ? 95.597  13.42  25.495  1 137.938 ? 215 A 1 .
ATOM 2979 C C    . ASN Axp A 194 ? 96.054  11.999 25.886  1 148.216 ? 215 A 1 .
ATOM 2980 O O    . ASN Axp A 194 ? 95.379  11.003 25.507  1 151.311 ? 215 A 1 .
ATOM 2981 C CB   . ASN Axp A 194 ? 95.473  14.332 26.714  1 123.356 ? 215 A 1 .
ATOM 2982 C CG   . ASN Axp A 194 ? 96.844  14.64  27.274  1 122.968 ? 215 A 1 .
ATOM 2983 O OD1  . ASN Axp A 194 ? 97.706  15.189 26.573  1 126.343 ? 215 A 1 .
ATOM 2984 N ND2  . ASN Axp A 194 ? 97.092  14.238 28.509  1 115.78  ? 215 A 1 .
ATOM 2985 O OXT  . ASN Axp A 194 ? 97.12   11.929 26.536  1 163.246 ? 215 A 1 .
ATOM 2986 H H    . ASN Axp A 194 ? 93.926  12.62  24.596  1 118.067 ? 215 A 1 c
ATOM 2987 H HA   . ASN Axp A 194 ? 96.314  13.8   24.938  1 132.772 ? 215 A 1 c
ATOM 2988 H HB3  . ASN Axp A 194 ? 94.933  13.89  27.399  1 126.224 ? 215 A 1 c
ATOM 2989 H HB2  . ASN Axp A 194 ? 95.031  15.166 26.464  1 126.018 ? 215 A 1 c
ATOM 2990 H HD21 . ASN Axp A 194 ? 97.853  13.822 28.695  1 117.961 ? 215 A 1 c
ATOM 2991 H HD22 . ASN Axp A 194 ? 96.496  14.385 29.15   1 118.009 ? 215 A 1 c
ATOM 2992 N N    . GLY Bxp B 1   ? 146.056 13.301 41.298  1 136.701 ? 22  B 1 .
ATOM 2993 C CA   . GLY Bxp B 1   ? 145.57  14.658 41.606  1 136.283 ? 22  B 1 .
ATOM 2994 C C    . GLY Bxp B 1   ? 144.493 15.111 40.62   1 146.38  ? 22  B 1 .
ATOM 2995 O O    . GLY Bxp B 1   ? 144.794 15.854 39.684  1 138.044 ? 22  B 1 .
ATOM 2996 H H    . GLY Bxp B 1   ? 146.682 13.052 41.902  1 136.572 ? 22  B 1 c
ATOM 2997 H H2   . GLY Bxp B 1   ? 146.423 13.284 40.471  1 136.572 ? 22  B 1 c
ATOM 2998 H H3   . GLY Bxp B 1   ? 145.369 12.712 41.327  1 136.572 ? 22  B 1 c
ATOM 2999 H HA3  . GLY Bxp B 1   ? 146.329 15.287 41.575  1 138.584 ? 22  B 1 c
ATOM 3000 H HA2  . GLY Bxp B 1   ? 145.203 14.669 42.521  1 138.624 ? 22  B 1 c
ATOM 3001 N N    . ASP Bxp B 2   ? 143.238 14.678 40.859  1 152.266 ? 23  B 1 .
ATOM 3002 C CA   . ASP Bxp B 2   ? 142.105 15.042 40.016  1 135.749 ? 23  B 1 .
ATOM 3003 C C    . ASP Bxp B 2   ? 141.94  16.552 39.957  1 132.513 ? 23  B 1 .
ATOM 3004 O O    . ASP Bxp B 2   ? 142.199 17.106 38.904  1 126.734 ? 23  B 1 .
ATOM 3005 C CB   . ASP Bxp B 2   ? 140.797 14.389 40.426  1 124.887 ? 23  B 1 .
ATOM 3006 C CG   . ASP Bxp B 2   ? 140.594 12.998 39.854  1 129.942 ? 23  B 1 .
ATOM 3007 O OD1  . ASP Bxp B 2   ? 140.665 12.858 38.612  1 146.595 ? 23  B 1 .
ATOM 3008 O OD2  . ASP Bxp B 2   ? 140.381 12.071 40.655  1 114.276 ? 23  B 1 .
ATOM 3009 H H    . ASP Bxp B 2   ? 143.089 14.133 41.578  1 146.542 ? 23  B 1 c
ATOM 3010 H HA   . ASP Bxp B 2   ? 142.302 14.727 39.105  1 136.001 ? 23  B 1 c
ATOM 3011 H HB3  . ASP Bxp B 2   ? 140.05  14.95  40.13   1 128.473 ? 23  B 1 c
ATOM 3012 H HB2  . ASP Bxp B 2   ? 140.761 14.332 41.404  1 128.47  ? 23  B 1 c
ATOM 3013 N N    . ASP Bxp B 3   ? 141.501 17.194 41.053  1 130.495 ? 24  B 1 .
ATOM 3014 C CA   . ASP Bxp B 3   ? 141.299 18.636 41.064  1 124.845 ? 24  B 1 .
ATOM 3015 C C    . ASP Bxp B 3   ? 141.516 19.181 39.65   1 111.714 ? 24  B 1 .
ATOM 3016 O O    . ASP Bxp B 3   ? 140.561 19.365 38.901  1 89.879  ? 24  B 1 .
ATOM 3017 C CB   . ASP Bxp B 3   ? 142.237 19.37  42.02   1 143.719 ? 24  B 1 .
ATOM 3018 C CG   . ASP Bxp B 3   ? 142.711 18.641 43.268  1 148.73  ? 24  B 1 .
ATOM 3019 O OD1  . ASP Bxp B 3   ? 143.224 17.518 43.158  1 146.035 ? 24  B 1 .
ATOM 3020 O OD2  . ASP Bxp B 3   ? 142.613 19.24  44.332  1 157.779 ? 24  B 1 .
ATOM 3021 H H    . ASP Bxp B 3   ? 141.32  16.717 41.811  1 129.786 ? 24  B 1 c
ATOM 3022 H HA   . ASP Bxp B 3   ? 140.37  18.818 41.336  1 126.631 ? 24  B 1 c
ATOM 3023 H HB3  . ASP Bxp B 3   ? 141.768 20.177 42.319  1 140.265 ? 24  B 1 c
ATOM 3024 H HB2  . ASP Bxp B 3   ? 143.04  19.67  41.549  1 139.84  ? 24  B 1 c
ATOM 3025 N N    . ARG Bxp B 4   ? 142.804 19.319 39.287  1 119.794 ? 25  B 1 .
ATOM 3026 C CA   . ARG Bxp B 4   ? 143.326 20.096 38.169  1 122.289 ? 25  B 1 .
ATOM 3027 C C    . ARG Bxp B 4   ? 142.513 19.89  36.892  1 119.956 ? 25  B 1 .
ATOM 3028 O O    . ARG Bxp B 4   ? 142.268 20.853 36.176  1 86.59   ? 25  B 1 .
ATOM 3029 C CB   . ARG Bxp B 4   ? 144.797 19.689 38.036  1 123.429 ? 25  B 1 .
ATOM 3030 C CG   . ARG Bxp B 4   ? 145.636 20.169 39.216  1 136.599 ? 25  B 1 .
ATOM 3031 C CD   . ARG Bxp B 4   ? 146.9   19.359 39.524  1 144.922 ? 25  B 1 .
ATOM 3032 N NE   . ARG Bxp B 4   ? 148.059 19.659 38.671  1 142.646 ? 25  B 1 .
ATOM 3033 C CZ   . ARG Bxp B 4   ? 149.277 19.139 38.817  1 134.38  ? 25  B 1 .
ATOM 3034 N NH1  . ARG Bxp B 4   ? 149.526 18.307 39.81   1 140.066 ? 25  B 1 .
ATOM 3035 N NH2  . ARG Bxp B 4   ? 150.249 19.449 37.975  1 123.175 ? 25  B 1 .
ATOM 3036 H H    . ARG Bxp B 4   ? 143.413 18.843 39.775  1 119.173 ? 25  B 1 c
ATOM 3037 H HA   . ARG Bxp B 4   ? 143.286 21.055 38.415  1 121.328 ? 25  B 1 c
ATOM 3038 H HB3  . ARG Bxp B 4   ? 145.162 20.069 37.208  1 126.058 ? 25  B 1 c
ATOM 3039 H HB2  . ARG Bxp B 4   ? 144.858 18.712 37.974  1 126.099 ? 25  B 1 c
ATOM 3040 H HG3  . ARG Bxp B 4   ? 145.074 20.182 40.021  1 134.983 ? 25  B 1 c
ATOM 3041 H HG2  . ARG Bxp B 4   ? 145.901 21.1   39.048  1 135.218 ? 25  B 1 c
ATOM 3042 H HD3  . ARG Bxp B 4   ? 146.683 18.408 39.439  1 142.352 ? 25  B 1 c
ATOM 3043 H HD2  . ARG Bxp B 4   ? 147.146 19.52  40.458  1 142.434 ? 25  B 1 c
ATOM 3044 H HE   . ARG Bxp B 4   ? 147.943 20.222 38.016  1 141.018 ? 25  B 1 c
ATOM 3045 H HH11 . ARG Bxp B 4   ? 149.126 17.519 39.832  1 138.291 ? 25  B 1 c
ATOM 3046 H HH12 . ARG Bxp B 4   ? 150.091 18.541 40.447  1 138.291 ? 25  B 1 c
ATOM 3047 H HH21 . ARG Bxp B 4   ? 150.373 20.291 37.739  1 126.499 ? 25  B 1 c
ATOM 3048 H HH22 . ARG Bxp B 4   ? 150.77  18.812 37.653  1 126.515 ? 25  B 1 c
ATOM 3049 N N    . GLU Bxp B 5   ? 142.09  18.645 36.621  1 132.199 ? 26  B 1 .
ATOM 3050 C CA   . GLU Bxp B 5   ? 141.306 18.314 35.434  1 117.452 ? 26  B 1 .
ATOM 3051 C C    . GLU Bxp B 5   ? 139.983 19.074 35.476  1 108.904 ? 26  B 1 .
ATOM 3052 O O    . GLU Bxp B 5   ? 139.675 19.832 34.554  1 112.473 ? 26  B 1 .
ATOM 3053 C CB   . GLU Bxp B 5   ? 141.111 16.798 35.292  1 111.769 ? 26  B 1 .
ATOM 3054 C CG   . GLU Bxp B 5   ? 140.093 16.355 34.238  1 95.239  ? 26  B 1 .
ATOM 3055 C CD   . GLU Bxp B 5   ? 140.224 14.899 33.808  1 74.658  ? 26  B 1 .
ATOM 3056 O OE1  . GLU Bxp B 5   ? 140.962 14.647 32.862  1 61.137  ? 26  B 1 .
ATOM 3057 O OE2  . GLU Bxp B 5   ? 139.644 13.997 34.431  1 78.248  ? 26  B 1 .
ATOM 3058 H H    . GLU Bxp B 5   ? 142.31  17.97  37.196  1 125.4   ? 26  B 1 c
ATOM 3059 H HA   . GLU Bxp B 5   ? 141.812 18.626 34.641  1 117.434 ? 26  B 1 c
ATOM 3060 H HB3  . GLU Bxp B 5   ? 140.829 16.439 36.159  1 109.022 ? 26  B 1 c
ATOM 3061 H HB2  . GLU Bxp B 5   ? 141.976 16.394 35.072  1 108.762 ? 26  B 1 c
ATOM 3062 H HG3  . GLU Bxp B 5   ? 140.188 16.923 33.445  1 93.323  ? 26  B 1 c
ATOM 3063 H HG2  . GLU Bxp B 5   ? 139.188 16.492 34.592  1 93.42   ? 26  B 1 c
ATOM 3064 N N    . LEU Bxp B 6   ? 139.23  18.89  36.565  1 95.909  ? 27  B 1 .
ATOM 3065 C CA   . LEU Bxp B 6   ? 137.938 19.541 36.721  1 94.29   ? 27  B 1 .
ATOM 3066 C C    . LEU Bxp B 6   ? 138.069 21.035 36.448  1 79.863  ? 27  B 1 .
ATOM 3067 O O    . LEU Bxp B 6   ? 137.203 21.63  35.818  1 74.184  ? 27  B 1 .
ATOM 3068 C CB   . LEU Bxp B 6   ? 137.4   19.316 38.13   1 100.522 ? 27  B 1 .
ATOM 3069 C CG   . LEU Bxp B 6   ? 136.977 17.888 38.472  1 92.688  ? 27  B 1 .
ATOM 3070 C CD1  . LEU Bxp B 6   ? 136.702 17.751 39.973  1 88.266  ? 27  B 1 .
ATOM 3071 C CD2  . LEU Bxp B 6   ? 135.771 17.526 37.618  1 84.451  ? 27  B 1 .
ATOM 3072 H H    . LEU Bxp B 6   ? 139.531 18.342 37.232  1 98.705  ? 27  B 1 c
ATOM 3073 H HA   . LEU Bxp B 6   ? 137.31  19.152 36.062  1 92.748  ? 27  B 1 c
ATOM 3074 H HB3  . LEU Bxp B 6   ? 136.624 19.909 38.26   1 97.06   ? 27  B 1 c
ATOM 3075 H HB2  . LEU Bxp B 6   ? 138.091 19.597 38.772  1 97.17   ? 27  B 1 c
ATOM 3076 H HG   . LEU Bxp B 6   ? 137.72  17.276 38.234  1 91.688  ? 27  B 1 c
ATOM 3077 H HD11 . LEU Bxp B 6   ? 137.51  17.96  40.471  1 89.54   ? 27  B 1 c
ATOM 3078 H HD12 . LEU Bxp B 6   ? 136.427 16.84  40.171  1 89.54   ? 27  B 1 c
ATOM 3079 H HD13 . LEU Bxp B 6   ? 135.994 18.365 40.231  1 89.54   ? 27  B 1 c
ATOM 3080 H HD21 . LEU Bxp B 6   ? 136.064 17.304 36.718  1 86.878  ? 27  B 1 c
ATOM 3081 H HD22 . LEU Bxp B 6   ? 135.158 18.28  37.581  1 86.958  ? 27  B 1 c
ATOM 3082 H HD23 . LEU Bxp B 6   ? 135.316 16.76  38.006  1 86.848  ? 27  B 1 c
ATOM 3083 N N    . ALA Bxp B 7   ? 139.143 21.628 36.971  1 73.851  ? 28  B 1 .
ATOM 3084 C CA   . ALA Bxp B 7   ? 139.417 23.039 36.768  1 74.81   ? 28  B 1 .
ATOM 3085 C C    . ALA Bxp B 7   ? 139.366 23.386 35.28   1 74.244  ? 28  B 1 .
ATOM 3086 O O    . ALA Bxp B 7   ? 138.701 24.337 34.876  1 67.265  ? 28  B 1 .
ATOM 3087 C CB   . ALA Bxp B 7   ? 140.748 23.388 37.38   1 69.521  ? 28  B 1 .
ATOM 3088 H H    . ALA Bxp B 7   ? 139.721 21.137 37.482  1 75.762  ? 28  B 1 c
ATOM 3089 H HA   . ALA Bxp B 7   ? 138.703 23.56  37.23   1 73.519  ? 28  B 1 c
ATOM 3090 H HB3  . ALA Bxp B 7   ? 140.729 24.306 37.696  1 71.459  ? 28  B 1 c
ATOM 3091 H HB2  . ALA Bxp B 7   ? 141.449 23.29  36.716  1 71.811  ? 28  B 1 c
ATOM 3092 H HB1  . ALA Bxp B 7   ? 140.932 22.797 38.129  1 71.323  ? 28  B 1 c
ATOM 3093 N N    . ILE Bxp B 8   ? 140.037 22.569 34.468  1 87.073  ? 29  B 1 .
ATOM 3094 C CA   . ILE Bxp B 8   ? 140.135 22.814 33.039  1 88.327  ? 29  B 1 .
ATOM 3095 C C    . ILE Bxp B 8   ? 138.772 22.585 32.389  1 78.465  ? 29  B 1 .
ATOM 3096 O O    . ILE Bxp B 8   ? 138.286 23.452 31.66   1 68.655  ? 29  B 1 .
ATOM 3097 C CB   . ILE Bxp B 8   ? 141.234 21.943 32.409  1 93.362  ? 29  B 1 .
ATOM 3098 C CG1  . ILE Bxp B 8   ? 142.537 22.02  33.21   1 91.618  ? 29  B 1 .
ATOM 3099 C CG2  . ILE Bxp B 8   ? 141.447 22.338 30.948  1 101.947 ? 29  B 1 .
ATOM 3100 C CD1  . ILE Bxp B 8   ? 143.57  20.968 32.84   1 100.372 ? 29  B 1 .
ATOM 3101 H H    . ILE Bxp B 8   ? 140.428 21.82  34.815  1 84.262  ? 29  B 1 c
ATOM 3102 H HA   . ILE Bxp B 8   ? 140.381 23.75  32.909  1 86.824  ? 29  B 1 c
ATOM 3103 H HB   . ILE Bxp B 8   ? 140.926 21.014 32.429  1 93.631  ? 29  B 1 c
ATOM 3104 H HG12 . ILE Bxp B 8   ? 142.332 21.932 34.16   1 93.77   ? 29  B 1 c
ATOM 3105 H HG13 . ILE Bxp B 8   ? 142.932 22.905 33.074  1 93.921  ? 29  B 1 c
ATOM 3106 H HG21 . ILE Bxp B 8   ? 142.295 21.984 30.633  1 99.233  ? 29  B 1 c
ATOM 3107 H HG22 . ILE Bxp B 8   ? 141.454 23.306 30.869  1 99.149  ? 29  B 1 c
ATOM 3108 H HG23 . ILE Bxp B 8   ? 140.727 21.976 30.404  1 99.185  ? 29  B 1 c
ATOM 3109 H HD11 . ILE Bxp B 8   ? 143.122 20.127 32.63   1 97.683  ? 29  B 1 c
ATOM 3110 H HD12 . ILE Bxp B 8   ? 144.18  20.831 33.59   1 97.704  ? 29  B 1 c
ATOM 3111 H HD13 . ILE Bxp B 8   ? 144.078 21.268 32.062  1 97.712  ? 29  B 1 c
ATOM 3112 N N    . LEU Bxp B 9   ? 138.156 21.434 32.691  1 67.977  ? 30  B 1 .
ATOM 3113 C CA   . LEU Bxp B 9   ? 136.814 21.147 32.206  1 68.072  ? 30  B 1 .
ATOM 3114 C C    . LEU Bxp B 9   ? 135.898 22.33  32.54   1 70.362  ? 30  B 1 .
ATOM 3115 O O    . LEU Bxp B 9   ? 135.416 23.018 31.636  1 63.776  ? 30  B 1 .
ATOM 3116 C CB   . LEU Bxp B 9   ? 136.309 19.823 32.786  1 67.788  ? 30  B 1 .
ATOM 3117 C CG   . LEU Bxp B 9   ? 136.977 18.539 32.272  1 67.317  ? 30  B 1 .
ATOM 3118 C CD1  . LEU Bxp B 9   ? 136.608 17.254 33.002  1 59.421  ? 30  B 1 .
ATOM 3119 C CD2  . LEU Bxp B 9   ? 136.646 18.365 30.806  1 74.054  ? 30  B 1 .
ATOM 3120 H H    . LEU Bxp B 9   ? 138.584 20.812 33.206  1 70.553  ? 30  B 1 c
ATOM 3121 H HA   . LEU Bxp B 9   ? 136.86  21.07  31.221  1 68.441  ? 30  B 1 c
ATOM 3122 H HB3  . LEU Bxp B 9   ? 135.342 19.761 32.606  1 67.764  ? 30  B 1 c
ATOM 3123 H HB2  . LEU Bxp B 9   ? 136.42  19.857 33.764  1 67.772  ? 30  B 1 c
ATOM 3124 H HG   . LEU Bxp B 9   ? 137.959 18.657 32.347  1 67.043  ? 30  B 1 c
ATOM 3125 H HD11 . LEU Bxp B 9   ? 136.842 17.335 33.942  1 61.647  ? 30  B 1 c
ATOM 3126 H HD12 . LEU Bxp B 9   ? 137.094 16.508 32.612  1 61.647  ? 30  B 1 c
ATOM 3127 H HD13 . LEU Bxp B 9   ? 135.653 17.095 32.919  1 61.647  ? 30  B 1 c
ATOM 3128 H HD21 . LEU Bxp B 9   ? 136.871 19.174 30.319  1 71.921  ? 30  B 1 c
ATOM 3129 H HD22 . LEU Bxp B 9   ? 135.697 18.181 30.706  1 71.946  ? 30  B 1 c
ATOM 3130 H HD23 . LEU Bxp B 9   ? 137.158 17.622 30.446  1 71.916  ? 30  B 1 c
ATOM 3131 N N    . ALA Bxp B 10  ? 135.727 22.595 33.85   1 73.521  ? 31  B 1 .
ATOM 3132 C CA   . ALA Bxp B 10  ? 134.916 23.699 34.355  1 68.134  ? 31  B 1 .
ATOM 3133 C C    . ALA Bxp B 10  ? 135.208 24.966 33.566  1 69.591  ? 31  B 1 .
ATOM 3134 O O    . ALA Bxp B 10  ? 134.293 25.647 33.132  1 63.557  ? 31  B 1 .
ATOM 3135 C CB   . ALA Bxp B 10  ? 135.16  23.946 35.835  1 58.445  ? 31  B 1 .
ATOM 3136 H H    . ALA Bxp B 10  ? 136.146 22.058 34.459  1 71.325  ? 31  B 1 c
ATOM 3137 H HA   . ALA Bxp B 10  ? 133.956 23.465 34.22   1 67.475  ? 31  B 1 c
ATOM 3138 H HB3  . ALA Bxp B 10  ? 134.562 24.642 36.154  1 61.165  ? 31  B 1 c
ATOM 3139 H HB2  . ALA Bxp B 10  ? 136.081 24.227 35.972  1 61.165  ? 31  B 1 c
ATOM 3140 H HB1  . ALA Bxp B 10  ? 134.997 23.128 36.335  1 61.213  ? 31  B 1 c
ATOM 3141 N N    . THR Bxp B 11  ? 136.495 25.28  33.397  1 71.796  ? 32  B 1 .
ATOM 3142 C CA   . THR Bxp B 11  ? 136.869 26.577 32.87   1 70.13   ? 32  B 1 .
ATOM 3143 C C    . THR Bxp B 11  ? 136.331 26.732 31.463  1 69.355  ? 32  B 1 .
ATOM 3144 O O    . THR Bxp B 11  ? 135.9   27.814 31.11   1 69.894  ? 32  B 1 .
ATOM 3145 C CB   . THR Bxp B 11  ? 138.372 26.799 32.851  1 65.901  ? 32  B 1 .
ATOM 3146 O OG1  . THR Bxp B 11  ? 138.787 26.968 34.198  1 60.181  ? 32  B 1 .
ATOM 3147 C CG2  . THR Bxp B 11  ? 138.695 28.094 32.141  1 66.916  ? 32  B 1 .
ATOM 3148 H H    . THR Bxp B 11  ? 137.15  24.683 33.62   1 70.886  ? 32  B 1 c
ATOM 3149 H HA   . THR Bxp B 11  ? 136.462 27.267 33.438  1 69.449  ? 32  B 1 c
ATOM 3150 H HB   . THR Bxp B 11  ? 138.844 26.037 32.439  1 65.642  ? 32  B 1 c
ATOM 3151 H HG1  . THR Bxp B 11  ? 138.379 27.539 34.681  0 45.12   ? 32  B 1 c
ATOM 3152 H HG21 . THR Bxp B 11  ? 139.619 28.336 32.314  1 66.791  ? 32  B 1 c
ATOM 3153 H HG22 . THR Bxp B 11  ? 138.11  28.799 32.467  1 66.703  ? 32  B 1 c
ATOM 3154 H HG23 . THR Bxp B 11  ? 138.566 27.984 31.185  1 66.756  ? 32  B 1 c
ATOM 3155 N N    . ALA Bxp B 12  ? 136.453 25.675 30.661  1 74.492  ? 33  B 1 .
ATOM 3156 C CA   . ALA Bxp B 12  ? 135.998 25.715 29.282  1 76.875  ? 33  B 1 .
ATOM 3157 C C    . ALA Bxp B 12  ? 134.516 26.057 29.245  1 86.985  ? 33  B 1 .
ATOM 3158 O O    . ALA Bxp B 12  ? 134.151 27.135 28.782  1 102.476 ? 33  B 1 .
ATOM 3159 C CB   . ALA Bxp B 12  ? 136.273 24.4   28.606  1 74.898  ? 33  B 1 .
ATOM 3160 H H    . ALA Bxp B 12  ? 136.838 24.908 30.977  1 73.737  ? 33  B 1 c
ATOM 3161 H HA   . ALA Bxp B 12  ? 136.498 26.437 28.81   1 77.91   ? 33  B 1 c
ATOM 3162 H HB3  . ALA Bxp B 12  ? 135.844 24.385 27.734  1 75.531  ? 33  B 1 c
ATOM 3163 H HB2  . ALA Bxp B 12  ? 135.924 23.673 29.148  1 75.451  ? 33  B 1 c
ATOM 3164 H HB1  . ALA Bxp B 12  ? 137.232 24.285 28.494  1 75.485  ? 33  B 1 c
ATOM 3165 N N    . GLU Bxp B 13  ? 133.683 25.166 29.8    1 81.026  ? 34  B 1 .
ATOM 3166 C CA   . GLU Bxp B 13  ? 132.239 25.332 29.775  1 76.535  ? 34  B 1 .
ATOM 3167 C C    . GLU Bxp B 13  ? 131.813 26.735 30.217  1 81.461  ? 34  B 1 .
ATOM 3168 O O    . GLU Bxp B 13  ? 130.693 27.16  29.944  1 84.857  ? 34  B 1 .
ATOM 3169 C CB   . GLU Bxp B 13  ? 131.57  24.307 30.689  1 69.457  ? 34  B 1 .
ATOM 3170 C CG   . GLU Bxp B 13  ? 130.049 24.322 30.563  1 72.022  ? 34  B 1 .
ATOM 3171 C CD   . GLU Bxp B 13  ? 129.368 23.405 31.543  1 71.123  ? 34  B 1 .
ATOM 3172 O OE1  . GLU Bxp B 13  ? 130.048 23.086 32.527  1 80.746  ? 34  B 1 .
ATOM 3173 O OE2  . GLU Bxp B 13  ? 128.216 22.997 31.32   1 69.076  ? 34  B 1 .
ATOM 3174 H H    . GLU Bxp B 13  ? 134.031 24.43  30.216  1 81.073  ? 34  B 1 c
ATOM 3175 H HA   . GLU Bxp B 13  ? 131.925 25.184 28.848  1 76.9    ? 34  B 1 c
ATOM 3176 H HB3  . GLU Bxp B 13  ? 131.827 24.498 31.615  1 71.711  ? 34  B 1 c
ATOM 3177 H HB2  . GLU Bxp B 13  ? 131.904 23.414 30.463  1 71.674  ? 34  B 1 c
ATOM 3178 H HG3  . GLU Bxp B 13  ? 129.797 24.058 29.656  1 71.227  ? 34  B 1 c
ATOM 3179 H HG2  . GLU Bxp B 13  ? 129.719 25.231 30.713  1 71.361  ? 34  B 1 c
ATOM 3180 N N    . ASN Bxp B 14  ? 132.683 27.442 30.946  1 92.663  ? 35  B 1 .
ATOM 3181 C CA   . ASN Bxp B 14  ? 132.325 28.731 31.514  1 93.985  ? 35  B 1 .
ATOM 3182 C C    . ASN Bxp B 14  ? 133.016 29.838 30.738  1 84.618  ? 35  B 1 .
ATOM 3183 O O    . ASN Bxp B 14  ? 133.179 30.932 31.251  1 106.982 ? 35  B 1 .
ATOM 3184 C CB   . ASN Bxp B 14  ? 132.601 28.734 33.012  1 91.041  ? 35  B 1 .
ATOM 3185 C CG   . ASN Bxp B 14  ? 131.672 27.775 33.725  1 103.89  ? 35  B 1 .
ATOM 3186 O OD1  . ASN Bxp B 14  ? 130.634 27.374 33.186  1 115.235 ? 35  B 1 .
ATOM 3187 N ND2  . ASN Bxp B 14  ? 132.01  27.39  34.943  1 120.142 ? 35  B 1 .
ATOM 3188 H H    . ASN Bxp B 14  ? 133.511 27.101 31.124  1 89.766  ? 35  B 1 c
ATOM 3189 H HA   . ASN Bxp B 14  ? 131.356 28.856 31.401  1 91.456  ? 35  B 1 c
ATOM 3190 H HB3  . ASN Bxp B 14  ? 132.471 29.636 33.368  1 94.581  ? 35  B 1 c
ATOM 3191 H HB2  . ASN Bxp B 14  ? 133.529 28.47  33.174  1 94.527  ? 35  B 1 c
ATOM 3192 H HD21 . ASN Bxp B 14  ? 131.635 26.67  35.3    1 114.84  ? 35  B 1 c
ATOM 3193 H HD22 . ASN Bxp B 14  ? 132.612 27.852 35.404  1 114.694 ? 35  B 1 c
ATOM 3194 N N    . LEU Bxp B 15  ? 133.461 29.499 29.534  1 78.231  ? 36  B 1 .
ATOM 3195 C CA   . LEU Bxp B 15  ? 134.013 30.434 28.575  1 85.198  ? 36  B 1 .
ATOM 3196 C C    . LEU Bxp B 15  ? 133.263 30.193 27.273  1 86.942  ? 36  B 1 .
ATOM 3197 O O    . LEU Bxp B 15  ? 133.249 31.024 26.384  1 85.039  ? 36  B 1 .
ATOM 3198 C CB   . LEU Bxp B 15  ? 135.517 30.226 28.37   1 86.723  ? 36  B 1 .
ATOM 3199 C CG   . LEU Bxp B 15  ? 136.464 30.435 29.562  1 87.858  ? 36  B 1 .
ATOM 3200 C CD1  . LEU Bxp B 15  ? 137.868 30.071 29.139  1 90.66   ? 36  B 1 .
ATOM 3201 C CD2  . LEU Bxp B 15  ? 136.502 31.817 30.175  1 93.396  ? 36  B 1 .
ATOM 3202 H H    . LEU Bxp B 15  ? 133.473 28.613 29.318  1 81.732  ? 36  B 1 c
ATOM 3203 H HA   . LEU Bxp B 15  ? 133.842 31.359 28.886  1 84.487  ? 36  B 1 c
ATOM 3204 H HB3  . LEU Bxp B 15  ? 135.806 30.826 27.645  1 86.638  ? 36  B 1 c
ATOM 3205 H HB2  . LEU Bxp B 15  ? 135.65  29.309 28.035  1 86.67   ? 36  B 1 c
ATOM 3206 H HG   . LEU Bxp B 15  ? 136.194 29.806 30.276  1 89.024  ? 36  B 1 c
ATOM 3207 H HD11 . LEU Bxp B 15  ? 137.885 29.153 28.821  1 89.805  ? 36  B 1 c
ATOM 3208 H HD12 . LEU Bxp B 15  ? 138.47  30.161 29.898  1 89.846  ? 36  B 1 c
ATOM 3209 H HD13 . LEU Bxp B 15  ? 138.157 30.665 28.426  1 89.821  ? 36  B 1 c
ATOM 3210 H HD21 . LEU Bxp B 15  ? 135.608 32.071 30.461  1 91.715  ? 36  B 1 c
ATOM 3211 H HD22 . LEU Bxp B 15  ? 136.823 32.456 29.516  1 91.715  ? 36  B 1 c
ATOM 3212 H HD23 . LEU Bxp B 15  ? 137.099 31.817 30.942  1 91.705  ? 36  B 1 c
ATOM 3213 N N    . LEU Bxp B 16  ? 132.677 29.004 27.154  1 92.297  ? 37  B 1 .
ATOM 3214 C CA   . LEU Bxp B 16  ? 131.93  28.61  25.978  1 89.363  ? 37  B 1 .
ATOM 3215 C C    . LEU Bxp B 16  ? 130.593 29.327 25.931  1 92.403  ? 37  B 1 .
ATOM 3216 O O    . LEU Bxp B 16  ? 129.934 29.293 24.898  1 99.225  ? 37  B 1 .
ATOM 3217 C CB   . LEU Bxp B 16  ? 131.708 27.104 26.037  1 82.902  ? 37  B 1 .
ATOM 3218 C CG   . LEU Bxp B 16  ? 132.952 26.253 25.802  1 78.14   ? 37  B 1 .
ATOM 3219 C CD1  . LEU Bxp B 16  ? 132.693 24.804 26.124  1 76.363  ? 37  B 1 .
ATOM 3220 C CD2  . LEU Bxp B 16  ? 133.399 26.43  24.36   1 77.487  ? 37  B 1 .
ATOM 3221 H H    . LEU Bxp B 16  ? 132.755 28.399 27.833  1 89.966  ? 37  B 1 c
ATOM 3222 H HA   . LEU Bxp B 16  ? 132.454 28.841 25.173  1 89.061  ? 37  B 1 c
ATOM 3223 H HB3  . LEU Bxp B 16  ? 131.033 26.864 25.36   1 83.292  ? 37  B 1 c
ATOM 3224 H HB2  . LEU Bxp B 16  ? 131.338 26.881 26.922  1 83.225  ? 37  B 1 c
ATOM 3225 H HG   . LEU Bxp B 16  ? 133.675 26.582 26.394  1 78.717  ? 37  B 1 c
ATOM 3226 H HD11 . LEU Bxp B 16  ? 131.82  24.711 26.539  1 76.972  ? 37  B 1 c
ATOM 3227 H HD12 . LEU Bxp B 16  ? 133.376 24.481 26.735  1 76.909  ? 37  B 1 c
ATOM 3228 H HD13 . LEU Bxp B 16  ? 132.718 24.278 25.307  1 76.916  ? 37  B 1 c
ATOM 3229 H HD21 . LEU Bxp B 16  ? 133.773 27.318 24.241  1 77.959  ? 37  B 1 c
ATOM 3230 H HD22 . LEU Bxp B 16  ? 132.637 26.319 23.767  1 77.806  ? 37  B 1 c
ATOM 3231 H HD23 . LEU Bxp B 16  ? 134.074 25.765 24.145  1 77.745  ? 37  B 1 c
ATOM 3232 N N    . GLU Bxp B 17  ? 130.192 29.923 27.059  1 91.454  ? 38  B 1 .
ATOM 3233 C CA   . GLU Bxp B 17  ? 128.951 30.666 27.127  1 87.371  ? 38  B 1 .
ATOM 3234 C C    . GLU Bxp B 17  ? 129.132 32.007 26.419  1 90.318  ? 38  B 1 .
ATOM 3235 O O    . GLU Bxp B 17  ? 128.157 32.718 26.193  1 102.442 ? 38  B 1 .
ATOM 3236 C CB   . GLU Bxp B 17  ? 128.55  30.833 28.592  1 85.055  ? 38  B 1 .
ATOM 3237 C CG   . GLU Bxp B 17  ? 127.049 31.012 28.793  1 83.573  ? 38  B 1 .
ATOM 3238 C CD   . GLU Bxp B 17  ? 126.288 29.701 28.842  1 94.186  ? 38  B 1 .
ATOM 3239 O OE1  . GLU Bxp B 17  ? 126.742 28.818 29.603  1 102.136 ? 38  B 1 .
ATOM 3240 O OE2  . GLU Bxp B 17  ? 125.269 29.547 28.134  1 101.825 ? 38  B 1 .
ATOM 3241 H H    . GLU Bxp B 17  ? 130.701 29.853 27.814  1 90.63   ? 38  B 1 c
ATOM 3242 H HA   . GLU Bxp B 17  ? 128.247 30.148 26.658  1 88.308  ? 38  B 1 c
ATOM 3243 H HB3  . GLU Bxp B 17  ? 129.012 31.617 28.958  1 85.302  ? 38  B 1 c
ATOM 3244 H HB2  . GLU Bxp B 17  ? 128.853 30.049 29.096  1 85.451  ? 38  B 1 c
ATOM 3245 H HG3  . GLU Bxp B 17  ? 126.688 31.556 28.061  1 86.409  ? 38  B 1 c
ATOM 3246 H HG2  . GLU Bxp B 17  ? 126.892 31.496 29.632  1 86.275  ? 38  B 1 c
ATOM 3247 N N    . ASP Bxp B 18  ? 130.386 32.348 26.077  1 86.547  ? 39  B 1 .
ATOM 3248 C CA   . ASP Bxp B 18  ? 130.741 33.674 25.599  1 80.87   ? 39  B 1 .
ATOM 3249 C C    . ASP Bxp B 18  ? 131.344 33.625 24.194  1 71.735  ? 39  B 1 .
ATOM 3250 O O    . ASP Bxp B 18  ? 131.281 34.604 23.476  1 58.877  ? 39  B 1 .
ATOM 3251 C CB   . ASP Bxp B 18  ? 131.648 34.362 26.607  1 91.87   ? 39  B 1 .
ATOM 3252 C CG   . ASP Bxp B 18  ? 131.048 34.479 28.002  1 104.921 ? 39  B 1 .
ATOM 3253 O OD1  . ASP Bxp B 18  ? 130.094 35.277 28.187  1 103.777 ? 39  B 1 .
ATOM 3254 O OD2  . ASP Bxp B 18  ? 131.512 33.746 28.89   1 106.409 ? 39  B 1 .
ATOM 3255 H H    . ASP Bxp B 18  ? 131.054 31.734 26.177  1 86.119  ? 39  B 1 c
ATOM 3256 H HA   . ASP Bxp B 18  ? 129.92  34.213 25.554  1 82.256  ? 39  B 1 c
ATOM 3257 H HB3  . ASP Bxp B 18  ? 131.86  35.262 26.284  1 92.039  ? 39  B 1 c
ATOM 3258 H HB2  . ASP Bxp B 18  ? 132.485 33.858 26.679  1 92.239  ? 39  B 1 c
ATOM 3259 N N    . ARG Bxp B 19  ? 131.966 32.513 23.788  1 82.036  ? 40  B 1 .
ATOM 3260 C CA   . ARG Bxp B 19  ? 132.468 32.373 22.423  1 88.483  ? 40  B 1 .
ATOM 3261 C C    . ARG Bxp B 19  ? 132.687 30.892 22.109  1 86.787  ? 40  B 1 .
ATOM 3262 O O    . ARG Bxp B 19  ? 132.66  30.052 23.008  1 86.126  ? 40  B 1 .
ATOM 3263 C CB   . ARG Bxp B 19  ? 133.753 33.171 22.175  1 96.478  ? 40  B 1 .
ATOM 3264 C CG   . ARG Bxp B 19  ? 134.807 32.981 23.256  1 109.047 ? 40  B 1 .
ATOM 3265 C CD   . ARG Bxp B 19  ? 134.493 33.797 24.525  1 116.471 ? 40  B 1 .
ATOM 3266 N NE   . ARG Bxp B 19  ? 135.444 33.595 25.623  1 117.205 ? 40  B 1 .
ATOM 3267 C CZ   . ARG Bxp B 19  ? 136.742 33.743 25.512  1 107.254 ? 40  B 1 .
ATOM 3268 N NH1  . ARG Bxp B 19  ? 137.247 34.28  24.42   1 104.922 ? 40  B 1 .
ATOM 3269 N NH2  . ARG Bxp B 19  ? 137.519 33.372 26.507  1 104.539 ? 40  B 1 .
ATOM 3270 H H    . ARG Bxp B 19  ? 132.093 31.825 24.376  1 81.15   ? 40  B 1 c
ATOM 3271 H HA   . ARG Bxp B 19  ? 131.772 32.717 21.807  1 87.94   ? 40  B 1 c
ATOM 3272 H HB3  . ARG Bxp B 19  ? 133.527 34.124 22.12   1 96.971  ? 40  B 1 c
ATOM 3273 H HB2  . ARG Bxp B 19  ? 134.134 32.906 21.314  1 96.935  ? 40  B 1 c
ATOM 3274 H HG3  . ARG Bxp B 19  ? 135.68  33.256 22.903  1 107.533 ? 40  B 1 c
ATOM 3275 H HG2  . ARG Bxp B 19  ? 134.863 32.029 23.493  1 107.502 ? 40  B 1 c
ATOM 3276 H HD3  . ARG Bxp B 19  ? 133.607 33.557 24.838  1 113.724 ? 40  B 1 c
ATOM 3277 H HD2  . ARG Bxp B 19  ? 134.477 34.747 24.289  1 114.705 ? 40  B 1 c
ATOM 3278 H HE   . ARG Bxp B 19  ? 135.127 33.362 26.401  1 114.522 ? 40  B 1 c
ATOM 3279 H HH11 . ARG Bxp B 19  ? 137.047 35.115 24.209  1 105.694 ? 40  B 1 c
ATOM 3280 H HH12 . ARG Bxp B 19  ? 137.783 33.803 23.904  1 105.662 ? 40  B 1 c
ATOM 3281 H HH21 . ARG Bxp B 19  ? 137.378 32.597 26.908  1 105.367 ? 40  B 1 c
ATOM 3282 H HH22 . ARG Bxp B 19  ? 138.178 33.9   26.769  1 105.367 ? 40  B 1 c
ATOM 3283 N N    . PRO Bxp B 20  ? 132.837 30.506 20.821  1 75.853  ? 41  B 1 .
ATOM 3284 C CA   . PRO Bxp B 20  ? 133.044 29.112 20.459  1 82.07   ? 41  B 1 .
ATOM 3285 C C    . PRO Bxp B 20  ? 134.447 28.65  20.801  1 82.97   ? 41  B 1 .
ATOM 3286 O O    . PRO Bxp B 20  ? 135.191 29.378 21.442  1 95.123  ? 41  B 1 .
ATOM 3287 C CB   . PRO Bxp B 20  ? 132.745 29.083 18.963  1 86.965  ? 41  B 1 .
ATOM 3288 C CG   . PRO Bxp B 20  ? 133.209 30.46  18.556  1 84.375  ? 41  B 1 .
ATOM 3289 C CD   . PRO Bxp B 20  ? 132.704 31.357 19.637  1 81.801  ? 41  B 1 .
ATOM 3290 H HA   . PRO Bxp B 20  ? 132.393 28.553 20.931  1 81.894  ? 41  B 1 c
ATOM 3291 H HB3  . PRO Bxp B 20  ? 131.79  28.964 18.794  1 85.248  ? 41  B 1 c
ATOM 3292 H HB2  . PRO Bxp B 20  ? 133.254 28.386 18.506  1 85.205  ? 41  B 1 c
ATOM 3293 H HG3  . PRO Bxp B 20  ? 132.831 30.715 17.69   1 84.35   ? 41  B 1 c
ATOM 3294 H HG2  . PRO Bxp B 20  ? 134.184 30.499 18.501  1 84.35   ? 41  B 1 c
ATOM 3295 H HD3  . PRO Bxp B 20  ? 133.249 32.16  19.714  1 81.178  ? 41  B 1 c
ATOM 3296 H HD2  . PRO Bxp B 20  ? 131.771 31.607 19.489  1 80.983  ? 41  B 1 c
ATOM 3297 N N    . LEU Bxp B 21  ? 134.795 27.443 20.364  1 81.962  ? 42  B 1 .
ATOM 3298 C CA   . LEU Bxp B 21  ? 136.063 26.848 20.743  1 81.766  ? 42  B 1 .
ATOM 3299 C C    . LEU Bxp B 21  ? 137.237 27.56  20.072  1 88.897  ? 42  B 1 .
ATOM 3300 O O    . LEU Bxp B 21  ? 138.343 27.54  20.599  1 93.822  ? 42  B 1 .
ATOM 3301 C CB   . LEU Bxp B 21  ? 136.019 25.367 20.38   1 79.886  ? 42  B 1 .
ATOM 3302 C CG   . LEU Bxp B 21  ? 137.054 24.476 21.066  1 76.713  ? 42  B 1 .
ATOM 3303 C CD1  . LEU Bxp B 21  ? 137.048 24.756 22.542  1 68.538  ? 42  B 1 .
ATOM 3304 C CD2  . LEU Bxp B 21  ? 136.769 23.004 20.807  1 82.34   ? 42  B 1 .
ATOM 3305 H H    . LEU Bxp B 21  ? 134.228 26.973 19.823  1 82.173  ? 42  B 1 c
ATOM 3306 H HA   . LEU Bxp B 21  ? 136.161 26.942 21.723  1 82.521  ? 42  B 1 c
ATOM 3307 H HB3  . LEU Bxp B 21  ? 136.137 25.286 19.406  1 79.628  ? 42  B 1 c
ATOM 3308 H HB2  . LEU Bxp B 21  ? 135.123 25.023 20.599  1 79.615  ? 42  B 1 c
ATOM 3309 H HG   . LEU Bxp B 21  ? 137.951 24.696 20.703  1 76.661  ? 42  B 1 c
ATOM 3310 H HD11 . LEU Bxp B 21  ? 137.598 25.535 22.729  1 71.068  ? 42  B 1 c
ATOM 3311 H HD12 . LEU Bxp B 21  ? 137.407 23.989 23.019  1 71.019  ? 42  B 1 c
ATOM 3312 H HD13 . LEU Bxp B 21  ? 136.138 24.923 22.84   1 71.103  ? 42  B 1 c
ATOM 3313 H HD21 . LEU Bxp B 21  ? 136.695 22.851 19.85   1 80.638  ? 42  B 1 c
ATOM 3314 H HD22 . LEU Bxp B 21  ? 135.935 22.754 21.24   1 80.638  ? 42  B 1 c
ATOM 3315 H HD23 . LEU Bxp B 21  ? 137.494 22.465 21.165  1 80.638  ? 42  B 1 c
ATOM 3316 N N    . ALA Bxp B 22  ? 137.016 28.19  18.914  1 90.621  ? 43  B 1 .
ATOM 3317 C CA   . ALA Bxp B 22  ? 138.103 28.847 18.205  1 92.615  ? 43  B 1 .
ATOM 3318 C C    . ALA Bxp B 22  ? 138.597 30.058 18.991  1 95.52   ? 43  B 1 .
ATOM 3319 O O    . ALA Bxp B 22  ? 139.794 30.219 19.219  1 95.361  ? 43  B 1 .
ATOM 3320 C CB   . ALA Bxp B 22  ? 137.654 29.244 16.818  1 97.496  ? 43  B 1 .
ATOM 3321 H H    . ALA Bxp B 22  ? 136.177 28.205 18.554  1 90.525  ? 43  B 1 c
ATOM 3322 H HA   . ALA Bxp B 22  ? 138.858 28.2   18.126  1 93.601  ? 43  B 1 c
ATOM 3323 H HB3  . ALA Bxp B 22  ? 138.366 29.735 16.373  1 96.018  ? 43  B 1 c
ATOM 3324 H HB2  . ALA Bxp B 22  ? 136.865 29.808 16.879  1 96.02   ? 43  B 1 c
ATOM 3325 H HB1  . ALA Bxp B 22  ? 137.441 28.448 16.303  1 96.02   ? 43  B 1 c
ATOM 3326 N N    . ASP Bxp B 23  ? 137.657 30.902 19.418  1 97.774  ? 44  B 1 .
ATOM 3327 C CA   . ASP Bxp B 23  ? 137.99  32.121 20.128  1 98.133  ? 44  B 1 .
ATOM 3328 C C    . ASP Bxp B 23  ? 138.581 31.801 21.506  1 99.128  ? 44  B 1 .
ATOM 3329 O O    . ASP Bxp B 23  ? 138.829 32.721 22.275  1 115.34  ? 44  B 1 .
ATOM 3330 C CB   . ASP Bxp B 23  ? 136.773 33.028 20.248  1 105.619 ? 44  B 1 .
ATOM 3331 C CG   . ASP Bxp B 23  ? 136.107 33.494 18.954  1 111.127 ? 44  B 1 .
ATOM 3332 O OD1  . ASP Bxp B 23  ? 136.49  33.028 17.85   1 106.705 ? 44  B 1 .
ATOM 3333 O OD2  . ASP Bxp B 23  ? 135.192 34.338 19.059  1 102.635 ? 44  B 1 .
ATOM 3334 H H    . ASP Bxp B 23  ? 136.777 30.711 19.26   1 97.356  ? 44  B 1 c
ATOM 3335 H HA   . ASP Bxp B 23  ? 138.669 32.605 19.604  1 99.552  ? 44  B 1 c
ATOM 3336 H HB3  . ASP Bxp B 23  ? 137.022 33.824 20.761  1 105.115 ? 44  B 1 c
ATOM 3337 H HB2  . ASP Bxp B 23  ? 136.103 32.537 20.764  1 104.988 ? 44  B 1 c
ATOM 3338 N N    . ILE Bxp B 24  ? 138.806 30.517 21.835  1 88.524  ? 45  B 1 .
ATOM 3339 C CA   . ILE Bxp B 24  ? 139.453 30.137 23.086  1 85.634  ? 45  B 1 .
ATOM 3340 C C    . ILE Bxp B 24  ? 140.769 29.443 22.765  1 84.533  ? 45  B 1 .
ATOM 3341 O O    . ILE Bxp B 24  ? 140.805 28.584 21.895  1 83.817  ? 45  B 1 .
ATOM 3342 C CB   . ILE Bxp B 24  ? 138.574 29.198 23.936  1 93.446  ? 45  B 1 .
ATOM 3343 C CG1  . ILE Bxp B 24  ? 137.184 29.779 24.219  1 94.267  ? 45  B 1 .
ATOM 3344 C CG2  . ILE Bxp B 24  ? 139.292 28.8   25.233  1 85.306  ? 45  B 1 .
ATOM 3345 C CD1  . ILE Bxp B 24  ? 136.176 28.743 24.68   1 89.2    ? 45  B 1 .
ATOM 3346 H H    . ILE Bxp B 24  ? 138.526 29.853 21.275  1 90.405  ? 45  B 1 c
ATOM 3347 H HA   . ILE Bxp B 24  ? 139.639 30.943 23.604  1 87.71   ? 45  B 1 c
ATOM 3348 H HB   . ILE Bxp B 24  ? 138.443 28.381 23.416  1 90.509  ? 45  B 1 c
ATOM 3349 H HG12 . ILE Bxp B 24  ? 136.847 30.207 23.406  1 92.88   ? 45  B 1 c
ATOM 3350 H HG13 . ILE Bxp B 24  ? 137.265 30.469 24.909  1 92.893  ? 45  B 1 c
ATOM 3351 H HG21 . ILE Bxp B 24  ? 138.638 28.616 25.927  1 87.684  ? 45  B 1 c
ATOM 3352 H HG22 . ILE Bxp B 24  ? 139.871 29.526 25.522  1 87.666  ? 45  B 1 c
ATOM 3353 H HG23 . ILE Bxp B 24  ? 139.827 28.004 25.078  1 87.623  ? 45  B 1 c
ATOM 3354 H HD11 . ILE Bxp B 24  ? 136.265 27.934 24.141  1 90.636  ? 45  B 1 c
ATOM 3355 H HD12 . ILE Bxp B 24  ? 135.274 29.102 24.578  1 90.566  ? 45  B 1 c
ATOM 3356 H HD13 . ILE Bxp B 24  ? 136.333 28.526 25.618  1 90.621  ? 45  B 1 c
ATOM 3357 N N    . SER Bxp B 25  ? 141.822 29.763 23.523  1 98.585  ? 46  B 1 .
ATOM 3358 C CA   . SER Bxp B 25  ? 143.152 29.216 23.286  1 116.865 ? 46  B 1 .
ATOM 3359 C C    . SER Bxp B 25  ? 143.686 28.521 24.54   1 111.916 ? 46  B 1 .
ATOM 3360 O O    . SER Bxp B 25  ? 143.314 28.859 25.669  1 97.002  ? 46  B 1 .
ATOM 3361 C CB   . SER Bxp B 25  ? 144.103 30.287 22.807  1 126.345 ? 46  B 1 .
ATOM 3362 O OG   . SER Bxp B 25  ? 144.076 31.414 23.676  1 144.013 ? 46  B 1 .
ATOM 3363 H H    . SER Bxp B 25  ? 141.708 30.345 24.219  1 98.464  ? 46  B 1 c
ATOM 3364 H HA   . SER Bxp B 25  ? 143.079 28.533 22.573  1 113.382 ? 46  B 1 c
ATOM 3365 H HB3  . SER Bxp B 25  ? 143.85  30.565 21.906  1 128.052 ? 46  B 1 c
ATOM 3366 H HB2  . SER Bxp B 25  ? 145.009 29.925 22.772  1 127.979 ? 46  B 1 c
ATOM 3367 H HG   . SER Bxp B 25  ? 144.728 31.948 23.225  0 60      ? 46  B 1 c
ATOM 3368 N N    . VAL Bxp B 26  ? 144.619 27.586 24.316  1 110.469 ? 47  B 1 .
ATOM 3369 C CA   . VAL Bxp B 26  ? 145.063 26.652 25.338  1 116.002 ? 47  B 1 .
ATOM 3370 C C    . VAL Bxp B 26  ? 145.477 27.414 26.59   1 108.752 ? 47  B 1 .
ATOM 3371 O O    . VAL Bxp B 26  ? 145.608 26.784 27.636  1 100.293 ? 47  B 1 .
ATOM 3372 C CB   . VAL Bxp B 26  ? 146.214 25.715 24.91   1 129.637 ? 47  B 1 .
ATOM 3373 C CG1  . VAL Bxp B 26  ? 146.652 24.787 26.051  1 124.98  ? 47  B 1 .
ATOM 3374 C CG2  . VAL Bxp B 26  ? 145.87  24.909 23.656  1 134.127 ? 47  B 1 .
ATOM 3375 H H    . VAL Bxp B 26  ? 145     27.536 23.486  1 112.354 ? 47  B 1 c
ATOM 3376 H HA   . VAL Bxp B 26  ? 144.299 26.091 25.572  1 115.866 ? 47  B 1 c
ATOM 3377 H HB   . VAL Bxp B 26  ? 146.984 26.29  24.687  1 126.936 ? 47  B 1 c
ATOM 3378 H HG11 . VAL Bxp B 26  ? 145.878 24.535 26.582  1 125.953 ? 47  B 1 c
ATOM 3379 H HG12 . VAL Bxp B 26  ? 147.298 25.245 26.615  1 125.996 ? 47  B 1 c
ATOM 3380 H HG13 . VAL Bxp B 26  ? 147.061 23.986 25.681  1 126.275 ? 47  B 1 c
ATOM 3381 H HG21 . VAL Bxp B 26  ? 146.559 24.242 23.498  1 132.703 ? 47  B 1 c
ATOM 3382 H HG22 . VAL Bxp B 26  ? 145.819 25.505 22.89   1 132.614 ? 47  B 1 c
ATOM 3383 H HG23 . VAL Bxp B 26  ? 145.014 24.467 23.779  1 132.741 ? 47  B 1 c
ATOM 3384 N N    . ASP Bxp B 27  ? 145.728 28.727 26.473  1 112.032 ? 48  B 1 .
ATOM 3385 C CA   . ASP Bxp B 27  ? 146.14  29.505 27.63   1 121.145 ? 48  B 1 .
ATOM 3386 C C    . ASP Bxp B 27  ? 144.943 29.972 28.455  1 121.087 ? 48  B 1 .
ATOM 3387 O O    . ASP Bxp B 27  ? 144.96  29.871 29.679  1 119.099 ? 48  B 1 .
ATOM 3388 C CB   . ASP Bxp B 27  ? 147.009 30.696 27.276  1 114.882 ? 48  B 1 .
ATOM 3389 C CG   . ASP Bxp B 27  ? 147.561 31.397 28.51   1 131.37  ? 48  B 1 .
ATOM 3390 O OD1  . ASP Bxp B 27  ? 148.288 30.733 29.287  1 125.155 ? 48  B 1 .
ATOM 3391 O OD2  . ASP Bxp B 27  ? 147.224 32.582 28.714  1 153.098 ? 48  B 1 .
ATOM 3392 H H    . ASP Bxp B 27  ? 145.679 29.138 25.659  1 113.204 ? 48  B 1 c
ATOM 3393 H HA   . ASP Bxp B 27  ? 146.693 28.925 28.202  1 118.065 ? 48  B 1 c
ATOM 3394 H HB3  . ASP Bxp B 27  ? 146.483 31.338 26.756  1 120.078 ? 48  B 1 c
ATOM 3395 H HB2  . ASP Bxp B 27  ? 147.761 30.395 26.724  1 119.932 ? 48  B 1 c
ATOM 3396 N N    . ASP Bxp B 28  ? 143.912 30.501 27.79   1 102.22  ? 49  B 1 .
ATOM 3397 C CA   . ASP Bxp B 28  ? 142.754 31.024 28.498  1 96.369  ? 49  B 1 .
ATOM 3398 C C    . ASP Bxp B 28  ? 142.267 30.002 29.518  1 94.689  ? 49  B 1 .
ATOM 3399 O O    . ASP Bxp B 28  ? 141.607 30.367 30.477  1 85.926  ? 49  B 1 .
ATOM 3400 C CB   . ASP Bxp B 28  ? 141.646 31.409 27.536  1 93.787  ? 49  B 1 .
ATOM 3401 C CG   . ASP Bxp B 28  ? 142.151 32.159 26.321  1 96.967  ? 49  B 1 .
ATOM 3402 O OD1  . ASP Bxp B 28  ? 143.378 32.176 26.139  1 103.899 ? 49  B 1 .
ATOM 3403 O OD2  . ASP Bxp B 28  ? 141.33  32.738 25.595  1 101.657 ? 49  B 1 .
ATOM 3404 H H    . ASP Bxp B 28  ? 143.93  30.531 26.877  1 105.049 ? 49  B 1 c
ATOM 3405 H HA   . ASP Bxp B 28  ? 143.031 31.837 28.979  1 96.676  ? 49  B 1 c
ATOM 3406 H HB3  . ASP Bxp B 28  ? 140.996 31.974 28.004  1 95.094  ? 49  B 1 c
ATOM 3407 H HB2  . ASP Bxp B 28  ? 141.185 30.599 27.232  1 95.092  ? 49  B 1 c
ATOM 3408 N N    . LEU Bxp B 29  ? 142.586 28.725 29.276  1 99.014  ? 50  B 1 .
ATOM 3409 C CA   . LEU Bxp B 29  ? 142.165 27.628 30.131  1 96.2    ? 50  B 1 .
ATOM 3410 C C    . LEU Bxp B 29  ? 143.169 27.402 31.257  1 102.876 ? 50  B 1 .
ATOM 3411 O O    . LEU Bxp B 29  ? 142.784 26.965 32.34   1 91.013  ? 50  B 1 .
ATOM 3412 C CB   . LEU Bxp B 29  ? 142.019 26.364 29.286  1 87.243  ? 50  B 1 .
ATOM 3413 C CG   . LEU Bxp B 29  ? 140.902 26.373 28.242  1 77.564  ? 50  B 1 .
ATOM 3414 C CD1  . LEU Bxp B 29  ? 141.011 25.18  27.325  1 76.795  ? 50  B 1 .
ATOM 3415 C CD2  . LEU Bxp B 29  ? 139.577 26.376 28.943  1 75.402  ? 50  B 1 .
ATOM 3416 H H    . LEU Bxp B 29  ? 143.056 28.522 28.52   1 97.421  ? 50  B 1 c
ATOM 3417 H HA   . LEU Bxp B 29  ? 141.287 27.858 30.53   1 95.898  ? 50  B 1 c
ATOM 3418 H HB3  . LEU Bxp B 29  ? 141.87  25.604 29.894  1 86.787  ? 50  B 1 c
ATOM 3419 H HB2  . LEU Bxp B 29  ? 142.874 26.204 28.824  1 86.841  ? 50  B 1 c
ATOM 3420 H HG   . LEU Bxp B 29  ? 140.98  27.2   27.701  1 78.778  ? 50  B 1 c
ATOM 3421 H HD11 . LEU Bxp B 29  ? 141.894 25.161 26.919  1 77.084  ? 50  B 1 c
ATOM 3422 H HD12 . LEU Bxp B 29  ? 140.337 25.243 26.628  1 77.031  ? 50  B 1 c
ATOM 3423 H HD13 . LEU Bxp B 29  ? 140.873 24.364 27.835  1 77.036  ? 50  B 1 c
ATOM 3424 H HD21 . LEU Bxp B 29  ? 139.365 27.279 29.23   1 76.12   ? 50  B 1 c
ATOM 3425 H HD22 . LEU Bxp B 29  ? 139.615 25.791 29.719  1 76.193  ? 50  B 1 c
ATOM 3426 H HD23 . LEU Bxp B 29  ? 138.887 26.06  28.335  1 76.095  ? 50  B 1 c
ATOM 3427 N N    . ALA Bxp B 30  ? 144.45  27.66  30.959  1 105.249 ? 51  B 1 .
ATOM 3428 C CA   . ALA Bxp B 30  ? 145.552 27.462 31.887  1 106.272 ? 51  B 1 .
ATOM 3429 C C    . ALA Bxp B 30  ? 145.367 28.301 33.143  1 105.254 ? 51  B 1 .
ATOM 3430 O O    . ALA Bxp B 30  ? 145.649 27.837 34.249  1 94.333  ? 51  B 1 .
ATOM 3431 C CB   . ALA Bxp B 30  ? 146.846 27.848 31.228  1 117.295 ? 51  B 1 .
ATOM 3432 H H    . ALA Bxp B 30  ? 144.648 27.961 30.119  1 104.981 ? 51  B 1 c
ATOM 3433 H HA   . ALA Bxp B 30  ? 145.576 26.505 32.142  1 108.044 ? 51  B 1 c
ATOM 3434 H HB3  . ALA Bxp B 30  ? 147.593 27.54  31.768  1 113.765 ? 51  B 1 c
ATOM 3435 H HB2  . ALA Bxp B 30  ? 146.894 28.815 31.138  1 113.786 ? 51  B 1 c
ATOM 3436 H HB1  . ALA Bxp B 30  ? 146.899 27.441 30.347  1 113.789 ? 51  B 1 c
ATOM 3437 N N    . LYS Bxp B 31  ? 144.944 29.553 32.922  1 104.976 ? 52  B 1 .
ATOM 3438 C CA   . LYS Bxp B 31  ? 144.601 30.469 33.992  1 100.856 ? 52  B 1 .
ATOM 3439 C C    . LYS Bxp B 31  ? 143.504 29.833 34.84   1 94.077  ? 52  B 1 .
ATOM 3440 O O    . LYS Bxp B 31  ? 143.78  29.381 35.958  1 80.558  ? 52  B 1 .
ATOM 3441 C CB   . LYS Bxp B 31  ? 144.135 31.814 33.423  1 101.801 ? 52  B 1 .
ATOM 3442 C CG   . LYS Bxp B 31  ? 145.165 32.647 32.682  1 99.674  ? 52  B 1 .
ATOM 3443 C CD   . LYS Bxp B 31  ? 144.645 34.064 32.473  1 97.784  ? 52  B 1 .
ATOM 3444 C CE   . LYS Bxp B 31  ? 145.589 34.933 31.713  1 103.212 ? 52  B 1 .
ATOM 3445 N NZ   . LYS Bxp B 31  ? 144.986 36.235 31.411  1 101.276 ? 52  B 1 .
ATOM 3446 H H    . LYS Bxp B 31  ? 144.875 29.849 32.06   1 104.076 ? 52  B 1 c
ATOM 3447 H HA   . LYS Bxp B 31  ? 145.403 30.609 34.556  1 100.535 ? 52  B 1 c
ATOM 3448 H HB3  . LYS Bxp B 31  ? 143.787 32.353 34.165  1 100.973 ? 52  B 1 c
ATOM 3449 H HB2  . LYS Bxp B 31  ? 143.39  31.646 32.81   1 100.811 ? 52  B 1 c
ATOM 3450 H HG3  . LYS Bxp B 31  ? 145.351 32.232 31.812  1 99.723  ? 52  B 1 c
ATOM 3451 H HG2  . LYS Bxp B 31  ? 145.996 32.673 33.205  1 99.723  ? 52  B 1 c
ATOM 3452 H HD3  . LYS Bxp B 31  ? 144.473 34.472 33.35   1 99.463  ? 52  B 1 c
ATOM 3453 H HD2  . LYS Bxp B 31  ? 143.792 34.021 31.989  1 99.467  ? 52  B 1 c
ATOM 3454 H HE3  . LYS Bxp B 31  ? 145.835 34.495 30.878  1 101.487 ? 52  B 1 c
ATOM 3455 H HE2  . LYS Bxp B 31  ? 146.399 35.071 32.235  1 101.487 ? 52  B 1 c
ATOM 3456 H HZ1  . LYS Bxp B 31  ? 144.781 36.664 32.182  1 101.864 ? 52  B 1 c
ATOM 3457 H HZ2  . LYS Bxp B 31  ? 144.23  36.117 30.926  1 101.852 ? 52  B 1 c
ATOM 3458 H HZ3  . LYS Bxp B 31  ? 145.569 36.739 30.935  1 101.864 ? 52  B 1 c
ATOM 3459 N N    . GLY Bxp B 32  ? 142.3   29.745 34.243  1 80.488  ? 53  B 1 .
ATOM 3460 C CA   . GLY Bxp B 32  ? 141.096 29.272 34.901  1 86.561  ? 53  B 1 .
ATOM 3461 C C    . GLY Bxp B 32  ? 141.358 28.143 35.901  1 98.043  ? 53  B 1 .
ATOM 3462 O O    . GLY Bxp B 32  ? 140.721 28.057 36.954  1 98.659  ? 53  B 1 .
ATOM 3463 H H    . GLY Bxp B 32  ? 142.237 29.979 33.362  1 85.261  ? 53  B 1 c
ATOM 3464 H HA3  . GLY Bxp B 32  ? 140.465 28.958 34.217  1 86.996  ? 53  B 1 c
ATOM 3465 H HA2  . GLY Bxp B 32  ? 140.674 30.029 35.371  1 87.368  ? 53  B 1 c
ATOM 3466 N N    . ALA Bxp B 33  ? 142.296 27.261 35.56   1 101.381 ? 54  B 1 .
ATOM 3467 C CA   . ALA Bxp B 33  ? 142.613 26.13  36.411  1 99.683  ? 54  B 1 .
ATOM 3468 C C    . ALA Bxp B 33  ? 143.645 26.512 37.467  1 91.519  ? 54  B 1 .
ATOM 3469 O O    . ALA Bxp B 33  ? 143.506 26.167 38.642  1 91.222  ? 54  B 1 .
ATOM 3470 C CB   . ALA Bxp B 33  ? 143.105 25.003 35.54   1 112.242 ? 54  B 1 .
ATOM 3471 H H    . ALA Bxp B 33  ? 142.736 27.35  34.764  1 100.043 ? 54  B 1 c
ATOM 3472 H HA   . ALA Bxp B 33  ? 141.782 25.846 36.875  1 100.133 ? 54  B 1 c
ATOM 3473 H HB3  . ALA Bxp B 33  ? 143.449 24.285 36.098  1 107.835 ? 54  B 1 c
ATOM 3474 H HB2  . ALA Bxp B 33  ? 143.815 25.324 34.959  1 108.114 ? 54  B 1 c
ATOM 3475 H HB1  . ALA Bxp B 33  ? 142.373 24.665 34.997  1 107.925 ? 54  B 1 c
ATOM 3476 N N    . GLY Bxp B 34  ? 144.707 27.189 37.027  1 87.893  ? 55  B 1 .
ATOM 3477 C CA   . GLY Bxp B 34  ? 145.828 27.49  37.9    1 96.673  ? 55  B 1 .
ATOM 3478 C C    . GLY Bxp B 34  ? 146.995 26.528 37.688  1 94.908  ? 55  B 1 .
ATOM 3479 O O    . GLY Bxp B 34  ? 147.558 25.993 38.646  1 79.841  ? 55  B 1 .
ATOM 3480 H H    . GLY Bxp B 34  ? 144.734 27.474 36.159  1 90.891  ? 55  B 1 c
ATOM 3481 H HA3  . GLY Bxp B 34  ? 145.532 27.445 38.839  1 94.084  ? 55  B 1 c
ATOM 3482 H HA2  . GLY Bxp B 34  ? 146.13  28.412 37.724  1 94.105  ? 55  B 1 c
ATOM 3483 N N    . ILE Bxp B 35  ? 147.349 26.351 36.411  1 103.304 ? 56  B 1 .
ATOM 3484 C CA   . ILE Bxp B 35  ? 148.558 25.654 36.006  1 109.127 ? 56  B 1 .
ATOM 3485 C C    . ILE Bxp B 35  ? 149.213 26.451 34.884  1 103.838 ? 56  B 1 .
ATOM 3486 O O    . ILE Bxp B 35  ? 148.561 27.266 34.232  1 97.577  ? 56  B 1 .
ATOM 3487 C CB   . ILE Bxp B 35  ? 148.261 24.207 35.574  1 119.764 ? 56  B 1 .
ATOM 3488 C CG1  . ILE Bxp B 35  ? 146.974 24.09  34.754  1 118.521 ? 56  B 1 .
ATOM 3489 C CG2  . ILE Bxp B 35  ? 148.23  23.274 36.78   1 120.414 ? 56  B 1 .
ATOM 3490 C CD1  . ILE Bxp B 35  ? 147.001 24.832 33.432  1 119.853 ? 56  B 1 .
ATOM 3491 H H    . ILE Bxp B 35  ? 146.811 26.694 35.757  1 102.573 ? 56  B 1 c
ATOM 3492 H HA   . ILE Bxp B 35  ? 149.172 25.629 36.766  1 108.543 ? 56  B 1 c
ATOM 3493 H HB   . ILE Bxp B 35  ? 148.992 23.924 35.004  1 117.545 ? 56  B 1 c
ATOM 3494 H HG12 . ILE Bxp B 35  ? 146.228 24.428 35.289  1 118.893 ? 56  B 1 c
ATOM 3495 H HG13 . ILE Bxp B 35  ? 146.804 23.143 34.575  1 119.073 ? 56  B 1 c
ATOM 3496 H HG21 . ILE Bxp B 35  ? 147.915 22.396 36.506  1 120.209 ? 56  B 1 c
ATOM 3497 H HG22 . ILE Bxp B 35  ? 147.63  23.634 37.455  1 119.959 ? 56  B 1 c
ATOM 3498 H HG23 . ILE Bxp B 35  ? 149.124 23.193 37.153  1 120.191 ? 56  B 1 c
ATOM 3499 H HD11 . ILE Bxp B 35  ? 146.796 25.77  33.589  1 118.642 ? 56  B 1 c
ATOM 3500 H HD12 . ILE Bxp B 35  ? 146.333 24.45  32.831  1 119.167 ? 56  B 1 c
ATOM 3501 H HD13 . ILE Bxp B 35  ? 147.885 24.755 33.025  1 119.173 ? 56  B 1 c
ATOM 3502 N N    . SER Bxp B 36  ? 150.508 26.204 34.669  1 100.095 ? 57  B 1 .
ATOM 3503 C CA   . SER Bxp B 36  ? 151.253 26.88  33.621  1 95.291  ? 57  B 1 .
ATOM 3504 C C    . SER Bxp B 36  ? 150.801 26.341 32.274  1 97.834  ? 57  B 1 .
ATOM 3505 O O    . SER Bxp B 36  ? 150.48  25.16  32.154  1 100.039 ? 57  B 1 .
ATOM 3506 C CB   . SER Bxp B 36  ? 152.718 26.681 33.792  1 106.389 ? 57  B 1 .
ATOM 3507 O OG   . SER Bxp B 36  ? 153.018 25.292 33.739  1 129.405 ? 57  B 1 .
ATOM 3508 H H    . SER Bxp B 36  ? 150.94  25.592 35.193  1 100.027 ? 57  B 1 c
ATOM 3509 H HA   . SER Bxp B 36  ? 151.052 27.849 33.664  1 98.656  ? 57  B 1 c
ATOM 3510 H HB3  . SER Bxp B 36  ? 152.999 27.044 34.653  1 108.679 ? 57  B 1 c
ATOM 3511 H HB2  . SER Bxp B 36  ? 153.199 27.15  33.085  1 108.669 ? 57  B 1 c
ATOM 3512 H HG   . SER Bxp B 36  ? 153.861 25.182 33.889  0 60      ? 57  B 1 c
ATOM 3513 N N    . ARG Bxp B 37  ? 150.815 27.223 31.272  1 96.539  ? 58  B 1 .
ATOM 3514 C CA   . ARG Bxp B 37  ? 150.41  26.902 29.913  1 87.077  ? 58  B 1 .
ATOM 3515 C C    . ARG Bxp B 37  ? 150.793 25.461 29.582  1 99.594  ? 58  B 1 .
ATOM 3516 O O    . ARG Bxp B 37  ? 149.952 24.694 29.129  1 97.372  ? 58  B 1 .
ATOM 3517 C CB   . ARG Bxp B 37  ? 151.095 27.942 29.029  1 86.996  ? 58  B 1 .
ATOM 3518 C CG   . ARG Bxp B 37  ? 150.322 28.46  27.832  1 95.709  ? 58  B 1 .
ATOM 3519 C CD   . ARG Bxp B 37  ? 150.983 29.784 27.395  1 103.795 ? 58  B 1 .
ATOM 3520 N NE   . ARG Bxp B 37  ? 150.522 30.368 26.129  1 109.683 ? 58  B 1 .
ATOM 3521 C CZ   . ARG Bxp B 37  ? 150.618 29.836 24.905  1 107.3   ? 58  B 1 .
ATOM 3522 N NH1  . ARG Bxp B 37  ? 151.197 28.663 24.695  1 90.144  ? 58  B 1 .
ATOM 3523 N NH2  . ARG Bxp B 37  ? 150.129 30.502 23.872  1 115.157 ? 58  B 1 .
ATOM 3524 H H    . ARG Bxp B 37  ? 151.087 28.077 31.453  1 94.534  ? 58  B 1 c
ATOM 3525 H HA   . ARG Bxp B 37  ? 149.426 27.001 29.844  1 91.063  ? 58  B 1 c
ATOM 3526 H HB3  . ARG Bxp B 37  ? 151.933 27.556 28.699  1 89.356  ? 58  B 1 c
ATOM 3527 H HB2  . ARG Bxp B 37  ? 151.335 28.71  29.59   1 89.285  ? 58  B 1 c
ATOM 3528 H HG3  . ARG Bxp B 37  ? 149.385 28.623 28.079  1 95.464  ? 58  B 1 c
ATOM 3529 H HG2  . ARG Bxp B 37  ? 150.362 27.81  27.097  1 95.355  ? 58  B 1 c
ATOM 3530 H HD3  . ARG Bxp B 37  ? 151.948 29.629 27.333  1 103.145 ? 58  B 1 c
ATOM 3531 H HD2  . ARG Bxp B 37  ? 150.843 30.438 28.109  1 103.144 ? 58  B 1 c
ATOM 3532 H HE   . ARG Bxp B 37  ? 150.142 31.151 26.176  1 107.813 ? 58  B 1 c
ATOM 3533 H HH11 . ARG Bxp B 37  ? 151.93  28.445 25.138  1 95.162  ? 58  B 1 c
ATOM 3534 H HH12 . ARG Bxp B 37  ? 150.846 28.1   24.11   1 95.125  ? 58  B 1 c
ATOM 3535 H HH21 . ARG Bxp B 37  ? 149.333 30.883 23.932  1 112.64  ? 58  B 1 c
ATOM 3536 H HH22 . ARG Bxp B 37  ? 150.599 30.563 23.126  1 112.67  ? 58  B 1 c
ATOM 3537 N N    . PRO Bxp B 38  ? 152.06  25.038 29.822  1 108.337 ? 59  B 1 .
ATOM 3538 C CA   . PRO Bxp B 38  ? 152.495 23.676 29.533  1 101.82  ? 59  B 1 .
ATOM 3539 C C    . PRO Bxp B 38  ? 151.874 22.58  30.396  1 93.178  ? 59  B 1 .
ATOM 3540 O O    . PRO Bxp B 38  ? 151.594 21.493 29.897  1 88.693  ? 59  B 1 .
ATOM 3541 C CB   . PRO Bxp B 38  ? 154.005 23.75  29.758  1 109.976 ? 59  B 1 .
ATOM 3542 C CG   . PRO Bxp B 38  ? 154.153 24.855 30.772  1 104.011 ? 59  B 1 .
ATOM 3543 C CD   . PRO Bxp B 38  ? 153.166 25.87  30.326  1 107.194 ? 59  B 1 .
ATOM 3544 H HA   . PRO Bxp B 38  ? 152.321 23.478 28.589  1 102.805 ? 59  B 1 c
ATOM 3545 H HB3  . PRO Bxp B 38  ? 154.475 23.965 28.931  1 106.714 ? 59  B 1 c
ATOM 3546 H HB2  . PRO Bxp B 38  ? 154.345 22.908 30.11   1 106.641 ? 59  B 1 c
ATOM 3547 H HG3  . PRO Bxp B 38  ? 155.058 25.222 30.764  1 106.076 ? 59  B 1 c
ATOM 3548 H HG2  . PRO Bxp B 38  ? 153.947 24.536 31.67   1 106.147 ? 59  B 1 c
ATOM 3549 H HD3  . PRO Bxp B 38  ? 152.882 26.432 31.061  1 106.466 ? 59  B 1 c
ATOM 3550 H HD2  . PRO Bxp B 38  ? 153.531 26.43  29.614  1 106.528 ? 59  B 1 c
ATOM 3551 N N    . THR Bxp B 39  ? 151.705 22.832 31.699  1 98.425  ? 60  B 1 .
ATOM 3552 C CA   . THR Bxp B 39  ? 151.149 21.825 32.598  1 106.994 ? 60  B 1 .
ATOM 3553 C C    . THR Bxp B 39  ? 149.964 21.131 31.932  1 98.2    ? 60  B 1 .
ATOM 3554 O O    . THR Bxp B 39  ? 149.842 19.906 31.955  1 88.522  ? 60  B 1 .
ATOM 3555 C CB   . THR Bxp B 39  ? 150.67  22.458 33.901  1 117.595 ? 60  B 1 .
ATOM 3556 O OG1  . THR Bxp B 39  ? 151.759 23.128 34.529  1 114.789 ? 60  B 1 .
ATOM 3557 C CG2  . THR Bxp B 39  ? 150.07  21.427 34.843  1 126.866 ? 60  B 1 .
ATOM 3558 H H    . THR Bxp B 39  ? 151.934 23.649 32.038  1 99.246  ? 60  B 1 c
ATOM 3559 H HA   . THR Bxp B 39  ? 151.844 21.161 32.799  1 105.549 ? 60  B 1 c
ATOM 3560 H HB   . THR Bxp B 39  ? 149.973 23.12  33.677  1 116.182 ? 60  B 1 c
ATOM 3561 H HG1  . THR Bxp B 39  ? 152.286 22.636 34.723  0 60      ? 60  B 1 c
ATOM 3562 H HG21 . THR Bxp B 39  ? 150.313 21.644 35.759  1 123.841 ? 60  B 1 c
ATOM 3563 H HG22 . THR Bxp B 39  ? 150.41  20.544 34.621  1 123.614 ? 60  B 1 c
ATOM 3564 H HG23 . THR Bxp B 39  ? 149.103 21.433 34.756  1 123.798 ? 60  B 1 c
ATOM 3565 N N    . PHE Bxp B 40  ? 149.086 21.964 31.367  1 92.082  ? 61  B 1 .
ATOM 3566 C CA   . PHE Bxp B 40  ? 147.906 21.526 30.64   1 91.016  ? 61  B 1 .
ATOM 3567 C C    . PHE Bxp B 40  ? 148.114 20.169 29.969  1 90.566  ? 61  B 1 .
ATOM 3568 O O    . PHE Bxp B 40  ? 147.437 19.202 30.314  1 85.968  ? 61  B 1 .
ATOM 3569 C CB   . PHE Bxp B 40  ? 147.57  22.598 29.602  1 90.798  ? 61  B 1 .
ATOM 3570 C CG   . PHE Bxp B 40  ? 146.417 22.197 28.703  1 92.731  ? 61  B 1 .
ATOM 3571 C CD1  . PHE Bxp B 40  ? 146.655 21.46  27.556  1 108.773 ? 61  B 1 .
ATOM 3572 C CD2  . PHE Bxp B 40  ? 145.1   22.525 29.018  1 94.711  ? 61  B 1 .
ATOM 3573 C CE1  . PHE Bxp B 40  ? 145.605 21.08  26.732  1 114.55  ? 61  B 1 .
ATOM 3574 C CE2  . PHE Bxp B 40  ? 144.05  22.136 28.196  1 91.797  ? 61  B 1 .
ATOM 3575 C CZ   . PHE Bxp B 40  ? 144.304 21.412 27.055  1 102.071 ? 61  B 1 .
ATOM 3576 H H    . PHE Bxp B 40  ? 149.226 22.863 31.45   1 93.627  ? 61  B 1 c
ATOM 3577 H HA   . PHE Bxp B 40  ? 147.149 21.454 31.28   1 91.07   ? 61  B 1 c
ATOM 3578 H HB3  . PHE Bxp B 40  ? 148.365 22.762 29.049  1 91.293  ? 61  B 1 c
ATOM 3579 H HB2  . PHE Bxp B 40  ? 147.34  23.431 30.07   1 91.287  ? 61  B 1 c
ATOM 3580 H HD1  . PHE Bxp B 40  ? 147.54  21.229 27.324  1 105.362 ? 61  B 1 c
ATOM 3581 H HD2  . PHE Bxp B 40  ? 144.92  23.017 29.803  1 93.792  ? 61  B 1 c
ATOM 3582 H HE1  . PHE Bxp B 40  ? 145.781 20.586 25.948  1 109.422 ? 61  B 1 c
ATOM 3583 H HE2  . PHE Bxp B 40  ? 143.164 22.37  28.421  1 94.98   ? 61  B 1 c
ATOM 3584 H HZ   . PHE Bxp B 40  ? 143.594 21.152 26.49   1 102.202 ? 61  B 1 c
ATOM 3585 N N    . TYR Bxp B 41  ? 149.081 20.112 29.039  1 91.36   ? 62  B 1 .
ATOM 3586 C CA   . TYR Bxp B 41  ? 149.289 18.989 28.134  1 76.444  ? 62  B 1 .
ATOM 3587 C C    . TYR Bxp B 41  ? 149.505 17.656 28.839  1 75.628  ? 62  B 1 .
ATOM 3588 O O    . TYR Bxp B 41  ? 149.779 16.669 28.158  1 72.595  ? 62  B 1 .
ATOM 3589 C CB   . TYR Bxp B 41  ? 150.488 19.252 27.226  1 66.952  ? 62  B 1 .
ATOM 3590 C CG   . TYR Bxp B 41  ? 150.14  20.3   26.179  1 69.436  ? 62  B 1 .
ATOM 3591 C CD1  . TYR Bxp B 41  ? 149.13  20.078 25.249  1 65.139  ? 62  B 1 .
ATOM 3592 C CD2  . TYR Bxp B 41  ? 150.805 21.519 26.136  1 70.568  ? 62  B 1 .
ATOM 3593 C CE1  . TYR Bxp B 41  ? 148.803 21.038 24.305  1 63.547  ? 62  B 1 .
ATOM 3594 C CE2  . TYR Bxp B 41  ? 150.486 22.486 25.2    1 67.222  ? 62  B 1 .
ATOM 3595 C CZ   . TYR Bxp B 41  ? 149.481 22.244 24.286  1 63.584  ? 62  B 1 .
ATOM 3596 O OH   . TYR Bxp B 41  ? 149.186 23.205 23.371  1 68.778  ? 62  B 1 .
ATOM 3597 H H    . TYR Bxp B 41  ? 149.651 20.823 28.974  1 87.232  ? 62  B 1 c
ATOM 3598 H HA   . TYR Bxp B 41  ? 148.483 18.906 27.565  1 76.87   ? 62  B 1 c
ATOM 3599 H HB3  . TYR Bxp B 41  ? 150.746 18.417 26.776  1 69.639  ? 62  B 1 c
ATOM 3600 H HB2  . TYR Bxp B 41  ? 151.242 19.569 27.771  1 69.687  ? 62  B 1 c
ATOM 3601 H HD1  . TYR Bxp B 41  ? 148.66  19.26  25.259  1 65.836  ? 62  B 1 c
ATOM 3602 H HD2  . TYR Bxp B 41  ? 151.489 21.694 26.762  1 69.394  ? 62  B 1 c
ATOM 3603 H HE1  . TYR Bxp B 41  ? 148.12  20.874 23.681  1 64.181  ? 62  B 1 c
ATOM 3604 H HE2  . TYR Bxp B 41  ? 150.95  23.305 25.186  1 67.114  ? 62  B 1 c
ATOM 3605 H HH   . TYR Bxp B 41  ? 148.467 22.979 22.639  0 42.87   ? 62  B 1 c
ATOM 3606 N N    . PHE Bxp B 42  ? 149.35  17.609 30.171  1 75.961  ? 63  B 1 .
ATOM 3607 C CA   . PHE Bxp B 42  ? 149.48  16.345 30.877  1 72.253  ? 63  B 1 .
ATOM 3608 C C    . PHE Bxp B 42  ? 148.103 15.748 31.135  1 73.357  ? 63  B 1 .
ATOM 3609 O O    . PHE Bxp B 42  ? 148.018 14.609 31.574  1 72.769  ? 63  B 1 .
ATOM 3610 C CB   . PHE Bxp B 42  ? 150.347 16.518 32.128  1 75.125  ? 63  B 1 .
ATOM 3611 C CG   . PHE Bxp B 42  ? 151.817 16.69  31.752  1 89.431  ? 63  B 1 .
ATOM 3612 C CD1  . PHE Bxp B 42  ? 152.338 17.957 31.503  1 102.793 ? 63  B 1 .
ATOM 3613 C CD2  . PHE Bxp B 42  ? 152.648 15.587 31.541  1 81.288  ? 63  B 1 .
ATOM 3614 C CE1  . PHE Bxp B 42  ? 153.661 18.112 31.114  1 98.401  ? 63  B 1 .
ATOM 3615 C CE2  . PHE Bxp B 42  ? 153.967 15.751 31.151  1 73.69   ? 63  B 1 .
ATOM 3616 C CZ   . PHE Bxp B 42  ? 154.467 17.008 30.94   1 86.034  ? 63  B 1 .
ATOM 3617 H H    . PHE Bxp B 42  ? 149.194 18.37  30.65   1 75.309  ? 63  B 1 c
ATOM 3618 H HA   . PHE Bxp B 42  ? 149.961 15.717 30.276  1 73.771  ? 63  B 1 c
ATOM 3619 H HB3  . PHE Bxp B 42  ? 150.246 15.725 32.7    1 77.477  ? 63  B 1 c
ATOM 3620 H HB2  . PHE Bxp B 42  ? 150.041 17.31  32.623  1 77.508  ? 63  B 1 c
ATOM 3621 H HD1  . PHE Bxp B 42  ? 151.794 18.717 31.621  1 97.923  ? 63  B 1 c
ATOM 3622 H HD2  . PHE Bxp B 42  ? 152.309 14.717 31.681  1 81.384  ? 63  B 1 c
ATOM 3623 H HE1  . PHE Bxp B 42  ? 154.009 18.974 30.977  1 95.938  ? 63  B 1 c
ATOM 3624 H HE2  . PHE Bxp B 42  ? 154.521 14.995 31.033  1 78.497  ? 63  B 1 c
ATOM 3625 H HZ   . PHE Bxp B 42  ? 155.362 17.119 30.679  1 85.672  ? 63  B 1 c
ATOM 3626 N N    . TYR Bxp B 43  ? 147.034 16.496 30.843  1 76.674  ? 64  B 1 .
ATOM 3627 C CA   . TYR Bxp B 43  ? 145.682 16.022 31.112  1 81.605  ? 64  B 1 .
ATOM 3628 C C    . TYR Bxp B 43  ? 144.86  16.057 29.834  1 81.372  ? 64  B 1 .
ATOM 3629 O O    . TYR Bxp B 43  ? 143.831 15.393 29.729  1 81.183  ? 64  B 1 .
ATOM 3630 C CB   . TYR Bxp B 43  ? 144.967 16.887 32.15   1 90.657  ? 64  B 1 .
ATOM 3631 C CG   . TYR Bxp B 43  ? 145.893 17.379 33.251  1 100.358 ? 64  B 1 .
ATOM 3632 C CD1  . TYR Bxp B 43  ? 146.715 18.484 33.054  1 107.065 ? 64  B 1 .
ATOM 3633 C CD2  . TYR Bxp B 43  ? 145.955 16.737 34.481  1 103.771 ? 64  B 1 .
ATOM 3634 C CE1  . TYR Bxp B 43  ? 147.567 18.937 34.048  1 113.825 ? 64  B 1 .
ATOM 3635 C CE2  . TYR Bxp B 43  ? 146.793 17.188 35.49   1 104.864 ? 64  B 1 .
ATOM 3636 C CZ   . TYR Bxp B 43  ? 147.6   18.293 35.277  1 114.357 ? 64  B 1 .
ATOM 3637 O OH   . TYR Bxp B 43  ? 148.425 18.733 36.276  1 132.677 ? 64  B 1 .
ATOM 3638 H H    . TYR Bxp B 43  ? 147.149 17.335 30.503  1 77.268  ? 64  B 1 c
ATOM 3639 H HA   . TYR Bxp B 43  ? 145.723 15.087 31.445  1 82.029  ? 64  B 1 c
ATOM 3640 H HB3  . TYR Bxp B 43  ? 144.241 16.361 32.552  1 90.58   ? 64  B 1 c
ATOM 3641 H HB2  . TYR Bxp B 43  ? 144.571 17.664 31.697  1 90.546  ? 64  B 1 c
ATOM 3642 H HD1  . TYR Bxp B 43  ? 146.69  18.935 32.229  1 106.406 ? 64  B 1 c
ATOM 3643 H HD2  . TYR Bxp B 43  ? 145.404 15.987 34.639  1 103.34  ? 64  B 1 c
ATOM 3644 H HE1  . TYR Bxp B 43  ? 148.105 19.693 33.899  1 112.227 ? 64  B 1 c
ATOM 3645 H HE2  . TYR Bxp B 43  ? 146.816 16.742 36.319  1 106.841 ? 64  B 1 c
ATOM 3646 H HH   . TYR Bxp B 43  ? 148.817 19.54  35.919  0 60      ? 64  B 1 c
ATOM 3647 N N    . PHE Bxp B 44  ? 145.289 16.88  28.88   1 80.93   ? 65  B 1 .
ATOM 3648 C CA   . PHE Bxp B 44  ? 144.595 16.951 27.613  1 82.821  ? 65  B 1 .
ATOM 3649 C C    . PHE Bxp B 44  ? 145.575 17.27  26.496  1 76.176  ? 65  B 1 .
ATOM 3650 O O    . PHE Bxp B 44  ? 146.394 18.18  26.578  1 69.855  ? 65  B 1 .
ATOM 3651 C CB   . PHE Bxp B 44  ? 143.486 17.999 27.642  1 93.436  ? 65  B 1 .
ATOM 3652 C CG   . PHE Bxp B 44  ? 142.334 17.621 28.56   1 98.326  ? 65  B 1 .
ATOM 3653 C CD1  . PHE Bxp B 44  ? 142.348 17.987 29.904  1 92.389  ? 65  B 1 .
ATOM 3654 C CD2  . PHE Bxp B 44  ? 141.244 16.909 28.069  1 93.349  ? 65  B 1 .
ATOM 3655 C CE1  . PHE Bxp B 44  ? 141.285 17.674 30.731  1 81.071  ? 65  B 1 .
ATOM 3656 C CE2  . PHE Bxp B 44  ? 140.189 16.595 28.902  1 89.516  ? 65  B 1 .
ATOM 3657 C CZ   . PHE Bxp B 44  ? 140.215 16.974 30.228  1 85.462  ? 65  B 1 .
ATOM 3658 H H    . PHE Bxp B 44  ? 146.013 17.419 29.019  1 81.34   ? 65  B 1 c
ATOM 3659 H HA   . PHE Bxp B 44  ? 144.185 16.066 27.436  1 82.879  ? 65  B 1 c
ATOM 3660 H HB3  . PHE Bxp B 44  ? 143.143 18.12  26.729  1 91.879  ? 65  B 1 c
ATOM 3661 H HB2  . PHE Bxp B 44  ? 143.868 18.852 27.943  1 91.992  ? 65  B 1 c
ATOM 3662 H HD1  . PHE Bxp B 44  ? 143.076 18.48  30.245  1 90.848  ? 65  B 1 c
ATOM 3663 H HD2  . PHE Bxp B 44  ? 141.218 16.658 27.159  1 93.394  ? 65  B 1 c
ATOM 3664 H HE1  . PHE Bxp B 44  ? 141.303 17.926 31.64   1 84.854  ? 65  B 1 c
ATOM 3665 H HE2  . PHE Bxp B 44  ? 139.454 16.113 28.565  1 89.283  ? 65  B 1 c
ATOM 3666 H HZ   . PHE Bxp B 44  ? 139.496 16.744 30.796  1 85.497  ? 65  B 1 c
ATOM 3667 N N    . PRO Bxp B 45  ? 145.484 16.534 25.382  1 73.946  ? 66  B 1 .
ATOM 3668 C CA   . PRO Bxp B 45  ? 146.26  16.858 24.205  1 74.407  ? 66  B 1 .
ATOM 3669 C C    . PRO Bxp B 45  ? 145.87  18.199 23.584  1 74.011  ? 66  B 1 .
ATOM 3670 O O    . PRO Bxp B 45  ? 146.727 18.92  23.087  1 87.064  ? 66  B 1 .
ATOM 3671 C CB   . PRO Bxp B 45  ? 146.003 15.66  23.304  1 73.959  ? 66  B 1 .
ATOM 3672 C CG   . PRO Bxp B 45  ? 144.615 15.221 23.715  1 79.985  ? 66  B 1 .
ATOM 3673 C CD   . PRO Bxp B 45  ? 144.575 15.398 25.186  1 79.881  ? 66  B 1 .
ATOM 3674 H HA   . PRO Bxp B 45  ? 147.211 16.879 24.443  1 74.139  ? 66  B 1 c
ATOM 3675 H HB3  . PRO Bxp B 45  ? 146.658 14.953 23.464  1 75.383  ? 66  B 1 c
ATOM 3676 H HB2  . PRO Bxp B 45  ? 146.027 15.916 22.361  1 75.377  ? 66  B 1 c
ATOM 3677 H HG3  . PRO Bxp B 45  ? 144.461 14.285 23.477  1 78.559  ? 66  B 1 c
ATOM 3678 H HG2  . PRO Bxp B 45  ? 143.933 15.772 23.282  1 78.537  ? 66  B 1 c
ATOM 3679 H HD3  . PRO Bxp B 45  ? 143.672 15.611 25.491  1 78.546  ? 66  B 1 c
ATOM 3680 H HD2  . PRO Bxp B 45  ? 144.9   14.604 25.654  1 78.497  ? 66  B 1 c
ATOM 3681 N N    . SER Bxp B 46  ? 144.582 18.545 23.585  1 70.135  ? 67  B 1 .
ATOM 3682 C CA   . SER Bxp B 46  ? 144.182 19.831 23.026  1 78.247  ? 67  B 1 .
ATOM 3683 C C    . SER Bxp B 46  ? 142.763 20.154 23.441  1 83.732  ? 67  B 1 .
ATOM 3684 O O    . SER Bxp B 46  ? 142.045 19.282 23.937  1 75.778  ? 67  B 1 .
ATOM 3685 C CB   . SER Bxp B 46  ? 144.242 19.877 21.542  1 78.43   ? 67  B 1 .
ATOM 3686 O OG   . SER Bxp B 46  ? 143.184 19.072 21.04   1 91.946  ? 67  B 1 .
ATOM 3687 H H    . SER Bxp B 46  ? 143.947 17.986 23.931  1 72.967  ? 67  B 1 c
ATOM 3688 H HA   . SER Bxp B 46  ? 144.781 20.532 23.39   1 77.66   ? 67  B 1 c
ATOM 3689 H HB3  . SER Bxp B 46  ? 145.099 19.531 21.23   1 81.405  ? 67  B 1 c
ATOM 3690 H HB2  . SER Bxp B 46  ? 144.139 20.796 21.232  1 81.418  ? 67  B 1 c
ATOM 3691 H HG   . SER Bxp B 46  ? 143.229 19.006 20.159  0 60      ? 67  B 1 c
ATOM 3692 N N    . LYS Bxp B 47  ? 142.387 21.409 23.156  1 83.331  ? 68  B 1 .
ATOM 3693 C CA   . LYS Bxp B 47  ? 141.08  21.918 23.525  1 76.598  ? 68  B 1 .
ATOM 3694 C C    . LYS Bxp B 47  ? 140.018 21.028 22.894  1 70.409  ? 68  B 1 .
ATOM 3695 O O    . LYS Bxp B 47  ? 138.981 20.773 23.485  1 76.329  ? 68  B 1 .
ATOM 3696 C CB   . LYS Bxp B 47  ? 140.911 23.4   23.185  1 71.165  ? 68  B 1 .
ATOM 3697 C CG   . LYS Bxp B 47  ? 141.273 23.748 21.777  1 83.343  ? 68  B 1 .
ATOM 3698 C CD   . LYS Bxp B 47  ? 141.059 25.229 21.504  1 93.745  ? 68  B 1 .
ATOM 3699 C CE   . LYS Bxp B 47  ? 141.39  25.557 20.084  1 104.522 ? 68  B 1 .
ATOM 3700 N NZ   . LYS Bxp B 47  ? 141.055 26.941 19.757  1 108.796 ? 68  B 1 .
ATOM 3701 H H    . LYS Bxp B 47  ? 142.979 21.97  22.744  1 81.716  ? 68  B 1 c
ATOM 3702 H HA   . LYS Bxp B 47  ? 140.997 21.845 24.504  1 75.876  ? 68  B 1 c
ATOM 3703 H HB3  . LYS Bxp B 47  ? 141.472 23.93  23.791  1 75.07   ? 68  B 1 c
ATOM 3704 H HB2  . LYS Bxp B 47  ? 139.977 23.656 23.34   1 75.07   ? 68  B 1 c
ATOM 3705 H HG3  . LYS Bxp B 47  ? 140.718 23.219 21.163  1 82.447  ? 68  B 1 c
ATOM 3706 H HG2  . LYS Bxp B 47  ? 142.214 23.523 21.619  1 82.499  ? 68  B 1 c
ATOM 3707 H HD3  . LYS Bxp B 47  ? 141.631 25.757 22.102  1 93.627  ? 68  B 1 c
ATOM 3708 H HD2  . LYS Bxp B 47  ? 140.121 25.462 21.681  1 93.693  ? 68  B 1 c
ATOM 3709 H HE3  . LYS Bxp B 47  ? 140.898 24.963 19.49   1 102.923 ? 68  B 1 c
ATOM 3710 H HE2  . LYS Bxp B 47  ? 142.342 25.418 19.932  1 102.923 ? 68  B 1 c
ATOM 3711 H HZ1  . LYS Bxp B 47  ? 141.551 27.505 20.264  1 107.42  ? 68  B 1 c
ATOM 3712 H HZ2  . LYS Bxp B 47  ? 140.176 27.09  19.92   1 107.282 ? 68  B 1 c
ATOM 3713 H HZ3  . LYS Bxp B 47  ? 141.226 27.099 18.881  1 107.42  ? 68  B 1 c
ATOM 3714 N N    . GLU Bxp B 48  ? 140.297 20.515 21.704  1 62.497  ? 69  B 1 .
ATOM 3715 C CA   . GLU Bxp B 48  ? 139.365 19.604 21.076  1 63.591  ? 69  B 1 .
ATOM 3716 C C    . GLU Bxp B 48  ? 138.991 18.495 22.06   1 62.144  ? 69  B 1 .
ATOM 3717 O O    . GLU Bxp B 48  ? 137.816 18.278 22.344  1 64.125  ? 69  B 1 .
ATOM 3718 C CB   . GLU Bxp B 48  ? 139.977 19.045 19.796  1 73.2    ? 69  B 1 .
ATOM 3719 C CG   . GLU Bxp B 48  ? 139.849 19.976 18.593  1 77.452  ? 69  B 1 .
ATOM 3720 C CD   . GLU Bxp B 48  ? 140.416 21.371 18.747  1 81.594  ? 69  B 1 .
ATOM 3721 O OE1  . GLU Bxp B 48  ? 141.64  21.492 18.952  1 89.552  ? 69  B 1 .
ATOM 3722 O OE2  . GLU Bxp B 48  ? 139.62  22.335 18.657  1 82.54   ? 69  B 1 .
ATOM 3723 H H    . GLU Bxp B 48  ? 141.071 20.738 21.271  1 65.035  ? 69  B 1 c
ATOM 3724 H HA   . GLU Bxp B 48  ? 138.546 20.11  20.843  1 64.756  ? 69  B 1 c
ATOM 3725 H HB3  . GLU Bxp B 48  ? 139.537 18.197 19.581  1 71.745  ? 69  B 1 c
ATOM 3726 H HB2  . GLU Bxp B 48  ? 140.925 18.856 19.953  1 71.787  ? 69  B 1 c
ATOM 3727 H HG3  . GLU Bxp B 48  ? 138.899 20.058 18.364  1 77.421  ? 69  B 1 c
ATOM 3728 H HG2  . GLU Bxp B 48  ? 140.29  19.553 17.826  1 77.396  ? 69  B 1 c
ATOM 3729 N N    . ALA Bxp B 49  ? 139.998 17.812 22.603  1 60.366  ? 70  B 1 .
ATOM 3730 C CA   . ALA Bxp B 49  ? 139.772 16.673 23.484  1 72.15   ? 70  B 1 .
ATOM 3731 C C    . ALA Bxp B 49  ? 139.121 17.059 24.819  1 75.039  ? 70  B 1 .
ATOM 3732 O O    . ALA Bxp B 49  ? 138.772 16.203 25.627  1 62.488  ? 70  B 1 .
ATOM 3733 C CB   . ALA Bxp B 49  ? 141.1   15.991 23.734  1 81.409  ? 70  B 1 .
ATOM 3734 H H    . ALA Bxp B 49  ? 140.858 18.06  22.418  1 63.388  ? 70  B 1 c
ATOM 3735 H HA   . ALA Bxp B 49  ? 139.164 16.036 23.016  1 71.66   ? 70  B 1 c
ATOM 3736 H HB3  . ALA Bxp B 49  ? 140.963 15.201 24.283  1 78.543  ? 70  B 1 c
ATOM 3737 H HB2  . ALA Bxp B 49  ? 141.7   16.602 24.194  1 78.531  ? 70  B 1 c
ATOM 3738 H HB1  . ALA Bxp B 49  ? 141.497 15.729 22.886  1 78.543  ? 70  B 1 c
ATOM 3739 N N    . VAL Bxp B 50  ? 138.99  18.357 25.083  1 81.983  ? 71  B 1 .
ATOM 3740 C CA   . VAL Bxp B 50  ? 138.369 18.825 26.308  1 79.453  ? 71  B 1 .
ATOM 3741 C C    . VAL Bxp B 50  ? 136.865 18.848 26.093  1 75.468  ? 71  B 1 .
ATOM 3742 O O    . VAL Bxp B 50  ? 136.123 18.369 26.942  1 75.8    ? 71  B 1 .
ATOM 3743 C CB   . VAL Bxp B 50  ? 138.856 20.232 26.689  1 85.099  ? 71  B 1 .
ATOM 3744 C CG1  . VAL Bxp B 50  ? 138.467 20.609 28.115  1 92.816  ? 71  B 1 .
ATOM 3745 C CG2  . VAL Bxp B 50  ? 140.353 20.369 26.49   1 90.847  ? 71  B 1 .
ATOM 3746 H H    . VAL Bxp B 50  ? 139.287 18.972 24.479  1 79.382  ? 71  B 1 c
ATOM 3747 H HA   . VAL Bxp B 50  ? 138.581 18.206 27.034  1 80.068  ? 71  B 1 c
ATOM 3748 H HB   . VAL Bxp B 50  ? 138.414 20.869 26.08   1 86.099  ? 71  B 1 c
ATOM 3749 H HG11 . VAL Bxp B 50  ? 138.689 19.879 28.716  1 90.378  ? 71  B 1 c
ATOM 3750 H HG12 . VAL Bxp B 50  ? 137.512 20.782 28.156  1 90.378  ? 71  B 1 c
ATOM 3751 H HG13 . VAL Bxp B 50  ? 138.952 21.407 28.384  1 90.429  ? 71  B 1 c
ATOM 3752 H HG21 . VAL Bxp B 50  ? 140.624 21.283 26.68   1 88.87   ? 71  B 1 c
ATOM 3753 H HG22 . VAL Bxp B 50  ? 140.584 20.149 25.576  1 88.495  ? 71  B 1 c
ATOM 3754 H HG23 . VAL Bxp B 50  ? 140.817 19.764 27.093  1 88.942  ? 71  B 1 c
ATOM 3755 N N    . LEU Bxp B 51  ? 136.446 19.439 24.963  1 67.222  ? 72  B 1 .
ATOM 3756 C CA   . LEU Bxp B 51  ? 135.041 19.498 24.613  1 65.003  ? 72  B 1 .
ATOM 3757 C C    . LEU Bxp B 51  ? 134.493 18.081 24.648  1 65.31   ? 72  B 1 .
ATOM 3758 O O    . LEU Bxp B 51  ? 133.394 17.831 25.144  1 66.35   ? 72  B 1 .
ATOM 3759 C CB   . LEU Bxp B 51  ? 134.779 20.107 23.239  1 63.703  ? 72  B 1 .
ATOM 3760 C CG   . LEU Bxp B 51  ? 133.288 20.297 22.913  1 64.935  ? 72  B 1 .
ATOM 3761 C CD1  . LEU Bxp B 51  ? 132.608 21.229 23.892  1 60.698  ? 72  B 1 .
ATOM 3762 C CD2  . LEU Bxp B 51  ? 133.004 20.826 21.52   1 68.961  ? 72  B 1 .
ATOM 3763 H H    . LEU Bxp B 51  ? 137.056 19.822 24.401  1 68.885  ? 72  B 1 c
ATOM 3764 H HA   . LEU Bxp B 51  ? 134.576 20.033 25.302  1 65.209  ? 72  B 1 c
ATOM 3765 H HB3  . LEU Bxp B 51  ? 135.179 19.52  22.557  1 64.28   ? 72  B 1 c
ATOM 3766 H HB2  . LEU Bxp B 51  ? 135.224 20.985 23.198  1 64.276  ? 72  B 1 c
ATOM 3767 H HG   . LEU Bxp B 51  ? 132.845 19.413 22.987  1 64.622  ? 72  B 1 c
ATOM 3768 H HD11 . LEU Bxp B 51  ? 132.442 20.759 24.726  1 62.011  ? 72  B 1 c
ATOM 3769 H HD12 . LEU Bxp B 51  ? 131.763 21.532 23.521  1 62.036  ? 72  B 1 c
ATOM 3770 H HD13 . LEU Bxp B 51  ? 133.18  21.996 24.062  1 61.962  ? 72  B 1 c
ATOM 3771 H HD21 . LEU Bxp B 51  ? 133.56  20.357 20.875  1 67.719  ? 72  B 1 c
ATOM 3772 H HD22 . LEU Bxp B 51  ? 133.202 21.777 21.486  1 67.685  ? 72  B 1 c
ATOM 3773 H HD23 . LEU Bxp B 51  ? 132.068 20.683 21.303  1 67.677  ? 72  B 1 c
ATOM 3774 N N    . LEU Bxp B 52  ? 135.272 17.166 24.079  1 58.486  ? 73  B 1 .
ATOM 3775 C CA   . LEU Bxp B 52  ? 134.833 15.793 24.018  1 56.749  ? 73  B 1 .
ATOM 3776 C C    . LEU Bxp B 52  ? 134.521 15.3   25.418  1 53.78   ? 73  B 1 .
ATOM 3777 O O    . LEU Bxp B 52  ? 133.525 14.609 25.626  1 49.876  ? 73  B 1 .
ATOM 3778 C CB   . LEU Bxp B 52  ? 135.884 14.91  23.367  1 60.488  ? 73  B 1 .
ATOM 3779 C CG   . LEU Bxp B 52  ? 135.469 13.455 23.139  1 59.639  ? 73  B 1 .
ATOM 3780 C CD1  . LEU Bxp B 52  ? 134.072 13.309 22.628  1 65.175  ? 73  B 1 .
ATOM 3781 C CD2  . LEU Bxp B 52  ? 136.385 12.859 22.117  1 66.025  ? 73  B 1 .
ATOM 3782 H H    . LEU Bxp B 52  ? 136.077 17.398 23.713  1 59.801  ? 73  B 1 c
ATOM 3783 H HA   . LEU Bxp B 52  ? 134.002 15.761 23.481  1 57.297  ? 73  B 1 c
ATOM 3784 H HB3  . LEU Bxp B 52  ? 136.689 14.919 23.935  1 59.425  ? 73  B 1 c
ATOM 3785 H HB2  . LEU Bxp B 52  ? 136.124 15.307 22.498  1 59.455  ? 73  B 1 c
ATOM 3786 H HG   . LEU Bxp B 52  ? 135.56  12.955 23.991  1 61.93   ? 73  B 1 c
ATOM 3787 H HD11 . LEU Bxp B 52  ? 133.443 13.425 23.36   1 63.351  ? 73  B 1 c
ATOM 3788 H HD12 . LEU Bxp B 52  ? 133.957 12.425 22.242  1 63.461  ? 73  B 1 c
ATOM 3789 H HD13 . LEU Bxp B 52  ? 133.903 13.982 21.948  1 63.47   ? 73  B 1 c
ATOM 3790 H HD21 . LEU Bxp B 52  ? 137.307 13.057 22.353  1 64.045  ? 73  B 1 c
ATOM 3791 H HD22 . LEU Bxp B 52  ? 136.188 13.237 21.244  1 64.121  ? 73  B 1 c
ATOM 3792 H HD23 . LEU Bxp B 52  ? 136.259 11.896 22.091  1 64.083  ? 73  B 1 c
ATOM 3793 N N    . THR Bxp B 53  ? 135.417 15.622 26.354  1 58.01   ? 74  B 1 .
ATOM 3794 C CA   . THR Bxp B 53  ? 135.243 15.16  27.716  1 65.049  ? 74  B 1 .
ATOM 3795 C C    . THR Bxp B 53  ? 133.996 15.811 28.286  1 71.003  ? 74  B 1 .
ATOM 3796 O O    . THR Bxp B 53  ? 133.2   15.133 28.93   1 78.109  ? 74  B 1 .
ATOM 3797 C CB   . THR Bxp B 53  ? 136.446 15.464 28.597  1 65.909  ? 74  B 1 .
ATOM 3798 O OG1  . THR Bxp B 53  ? 137.499 14.633 28.123  1 70.261  ? 74  B 1 .
ATOM 3799 C CG2  . THR Bxp B 53  ? 136.159 15.107 30.044  1 71.023  ? 74  B 1 .
ATOM 3800 H H    . THR Bxp B 53  ? 136.152 16.121 26.141  1 58.577  ? 74  B 1 c
ATOM 3801 H HA   . THR Bxp B 53  ? 135.11  14.187 27.698  1 64.757  ? 74  B 1 c
ATOM 3802 H HB   . THR Bxp B 53  ? 136.706 16.413 28.52   1 67.563  ? 74  B 1 c
ATOM 3803 H HG1  . THR Bxp B 53  ? 137.315 13.728 28.203  0 55.55   ? 74  B 1 c
ATOM 3804 H HG21 . THR Bxp B 53  ? 136.998 15.015 30.527  1 69.48   ? 74  B 1 c
ATOM 3805 H HG22 . THR Bxp B 53  ? 135.673 14.266 30.081  1 69.465  ? 74  B 1 c
ATOM 3806 H HG23 . THR Bxp B 53  ? 135.626 15.807 30.455  1 69.529  ? 74  B 1 c
ATOM 3807 N N    . LEU Bxp B 54  ? 133.882 17.129 28.074  1 74.545  ? 75  B 1 .
ATOM 3808 C CA   . LEU Bxp B 54  ? 132.719 17.879 28.517  1 69.777  ? 75  B 1 .
ATOM 3809 C C    . LEU Bxp B 54  ? 131.499 17.111 28.044  1 66.298  ? 75  B 1 .
ATOM 3810 O O    . LEU Bxp B 54  ? 130.777 16.51  28.832  1 71.74   ? 75  B 1 .
ATOM 3811 C CB   . LEU Bxp B 54  ? 132.69  19.3   27.953  1 69.781  ? 75  B 1 .
ATOM 3812 C CG   . LEU Bxp B 54  ? 133.789 20.25  28.427  1 68.612  ? 75  B 1 .
ATOM 3813 C CD1  . LEU Bxp B 54  ? 133.733 21.545 27.65   1 65.022  ? 75  B 1 .
ATOM 3814 C CD2  . LEU Bxp B 54  ? 133.623 20.5   29.911  1 73.541  ? 75  B 1 .
ATOM 3815 H H    . LEU Bxp B 54  ? 134.555 17.574 27.645  1 72.362  ? 75  B 1 c
ATOM 3816 H HA   . LEU Bxp B 54  ? 132.719 17.912 29.507  1 70.05   ? 75  B 1 c
ATOM 3817 H HB3  . LEU Bxp B 54  ? 131.819 19.699 28.178  1 69.48   ? 75  B 1 c
ATOM 3818 H HB2  . LEU Bxp B 54  ? 132.736 19.244 26.973  1 69.353  ? 75  B 1 c
ATOM 3819 H HG   . LEU Bxp B 54  ? 134.669 19.823 28.273  1 69.084  ? 75  B 1 c
ATOM 3820 H HD11 . LEU Bxp B 54  ? 133.497 21.363 26.726  1 66.087  ? 75  B 1 c
ATOM 3821 H HD12 . LEU Bxp B 54  ? 134.601 21.98  27.682  1 66.081  ? 75  B 1 c
ATOM 3822 H HD13 . LEU Bxp B 54  ? 133.064 22.131 28.044  1 66.113  ? 75  B 1 c
ATOM 3823 H HD21 . LEU Bxp B 54  ? 133.909 19.715 30.407  1 71.99   ? 75  B 1 c
ATOM 3824 H HD22 . LEU Bxp B 54  ? 132.689 20.684 30.108  1 71.985  ? 75  B 1 c
ATOM 3825 H HD23 . LEU Bxp B 54  ? 134.164 21.262 30.174  1 71.938  ? 75  B 1 c
ATOM 3826 N N    . LEU Bxp B 55  ? 131.361 17.072 26.723  1 62.304  ? 76  B 1 .
ATOM 3827 C CA   . LEU Bxp B 55  ? 130.206 16.479 26.093  1 63.983  ? 76  B 1 .
ATOM 3828 C C    . LEU Bxp B 55  ? 129.899 15.095 26.678  1 64.373  ? 76  B 1 .
ATOM 3829 O O    . LEU Bxp B 55  ? 128.78  14.841 27.115  1 56.254  ? 76  B 1 .
ATOM 3830 C CB   . LEU Bxp B 55  ? 130.556 16.451 24.615  1 65.674  ? 76  B 1 .
ATOM 3831 C CG   . LEU Bxp B 55  ? 129.361 16.429 23.668  1 70.493  ? 76  B 1 .
ATOM 3832 C CD1  . LEU Bxp B 55  ? 129.882 15.775 22.405  1 77.345  ? 76  B 1 .
ATOM 3833 C CD2  . LEU Bxp B 55  ? 128.131 15.702 24.214  1 67.801  ? 76  B 1 .
ATOM 3834 H H    . LEU Bxp B 55  ? 132.025 17.41  26.195  1 63.843  ? 76  B 1 c
ATOM 3835 H HA   . LEU Bxp B 55  ? 129.428 17.076 26.239  1 64.071  ? 76  B 1 c
ATOM 3836 H HB3  . LEU Bxp B 55  ? 131.11  15.654 24.444  1 66.493  ? 76  B 1 c
ATOM 3837 H HB2  . LEU Bxp B 55  ? 131.095 17.248 24.406  1 66.328  ? 76  B 1 c
ATOM 3838 H HG   . LEU Bxp B 55  ? 129.108 17.365 23.458  1 70.285  ? 76  B 1 c
ATOM 3839 H HD11 . LEU Bxp B 55  ? 130.728 16.182 22.152  1 75.084  ? 76  B 1 c
ATOM 3840 H HD12 . LEU Bxp B 55  ? 129.238 15.898 21.688  1 75.124  ? 76  B 1 c
ATOM 3841 H HD13 . LEU Bxp B 55  ? 130.013 14.825 22.561  1 75.113  ? 76  B 1 c
ATOM 3842 H HD21 . LEU Bxp B 55  ? 127.782 16.179 24.985  1 68.406  ? 76  B 1 c
ATOM 3843 H HD22 . LEU Bxp B 55  ? 128.375 14.798 24.474  1 68.447  ? 76  B 1 c
ATOM 3844 H HD23 . LEU Bxp B 55  ? 127.447 15.663 23.524  1 68.521  ? 76  B 1 c
ATOM 3845 N N    . ASP Bxp B 56  ? 130.892 14.198 26.709  1 67.478  ? 77  B 1 .
ATOM 3846 C CA   . ASP Bxp B 56  ? 130.689 12.865 27.261  1 62.733  ? 77  B 1 .
ATOM 3847 C C    . ASP Bxp B 56  ? 130.12  12.956 28.673  1 58.46   ? 77  B 1 .
ATOM 3848 O O    . ASP Bxp B 56  ? 129.217 12.213 29.02   1 54.709  ? 77  B 1 .
ATOM 3849 C CB   . ASP Bxp B 56  ? 131.98  12.067 27.285  1 62.338  ? 77  B 1 .
ATOM 3850 C CG   . ASP Bxp B 56  ? 131.912 10.756 28.055  1 60.15   ? 77  B 1 .
ATOM 3851 O OD1  . ASP Bxp B 56  ? 131.872 10.831 29.3    1 65.407  ? 77  B 1 .
ATOM 3852 O OD2  . ASP Bxp B 56  ? 131.884 9.681  27.402  1 53.007  ? 77  B 1 .
ATOM 3853 H H    . ASP Bxp B 56  ? 131.715 14.42  26.378  1 65.593  ? 77  B 1 c
ATOM 3854 H HA   . ASP Bxp B 56  ? 130.042 12.39  26.693  1 62.836  ? 77  B 1 c
ATOM 3855 H HB3  . ASP Bxp B 56  ? 132.681 12.62  27.688  1 61.92   ? 77  B 1 c
ATOM 3856 H HB2  . ASP Bxp B 56  ? 132.248 11.867 26.364  1 61.927  ? 77  B 1 c
ATOM 3857 N N    . ARG Bxp B 57  ? 130.704 13.826 29.5    1 58.684  ? 78  B 1 .
ATOM 3858 C CA   . ARG Bxp B 57  ? 130.227 14.031 30.852  1 60.97   ? 78  B 1 .
ATOM 3859 C C    . ARG Bxp B 57  ? 128.717 14.269 30.818  1 65.659  ? 78  B 1 .
ATOM 3860 O O    . ARG Bxp B 57  ? 127.953 13.538 31.447  1 63.614  ? 78  B 1 .
ATOM 3861 C CB   . ARG Bxp B 57  ? 130.934 15.234 31.492  1 68.424  ? 78  B 1 .
ATOM 3862 C CG   . ARG Bxp B 57  ? 132.429 15.137 31.768  1 79.195  ? 78  B 1 .
ATOM 3863 C CD   . ARG Bxp B 57  ? 132.725 13.97  32.696  1 103.447 ? 78  B 1 .
ATOM 3864 N NE   . ARG Bxp B 57  ? 133.962 14.088 33.474  1 116.42  ? 78  B 1 .
ATOM 3865 C CZ   . ARG Bxp B 57  ? 134.169 14.943 34.473  1 115.816 ? 78  B 1 .
ATOM 3866 N NH1  . ARG Bxp B 57  ? 133.274 15.87  34.794  1 96.09   ? 78  B 1 .
ATOM 3867 N NH2  . ARG Bxp B 57  ? 135.304 14.861 35.139  1 123.807 ? 78  B 1 .
ATOM 3868 H H    . ARG Bxp B 57  ? 131.427 14.304 29.211  1 59.505  ? 78  B 1 c
ATOM 3869 H HA   . ARG Bxp B 57  ? 130.413 13.214 31.38   1 62.776  ? 78  B 1 c
ATOM 3870 H HB3  . ARG Bxp B 57  ? 130.485 15.419 32.344  1 69.066  ? 78  B 1 c
ATOM 3871 H HB2  . ARG Bxp B 57  ? 130.784 16.013 30.919  1 68.905  ? 78  B 1 c
ATOM 3872 H HG3  . ARG Bxp B 57  ? 132.741 15.971 32.182  1 81.6    ? 78  B 1 c
ATOM 3873 H HG2  . ARG Bxp B 57  ? 132.913 15.009 30.928  1 81.297  ? 78  B 1 c
ATOM 3874 H HD3  . ARG Bxp B 57  ? 132.769 13.154 32.156  1 99.991  ? 78  B 1 c
ATOM 3875 H HD2  . ARG Bxp B 57  ? 131.973 13.869 33.315  1 99.623  ? 78  B 1 c
ATOM 3876 H HE   . ARG Bxp B 57  ? 134.618 13.554 33.267  1 113.271 ? 78  B 1 c
ATOM 3877 H HH11 . ARG Bxp B 57  ? 132.482 15.628 35.102  1 101.78  ? 78  B 1 c
ATOM 3878 H HH12 . ARG Bxp B 57  ? 133.475 16.725 34.697  1 101.78  ? 78  B 1 c
ATOM 3879 H HH21 . ARG Bxp B 57  ? 136.069 14.82  34.699  1 121.225 ? 78  B 1 c
ATOM 3880 H HH22 . ARG Bxp B 57  ? 135.294 14.847 36.023  1 121.275 ? 78  B 1 c
ATOM 3881 N N    . VAL Bxp B 58  ? 128.313 15.304 30.063  1 64.433  ? 79  B 1 .
ATOM 3882 C CA   . VAL Bxp B 58  ? 126.939 15.773 29.954  1 52.575  ? 79  B 1 .
ATOM 3883 C C    . VAL Bxp B 58  ? 126.015 14.703 29.402  1 49.56   ? 79  B 1 .
ATOM 3884 O O    . VAL Bxp B 58  ? 124.869 14.621 29.795  1 43.761  ? 79  B 1 .
ATOM 3885 C CB   . VAL Bxp B 58  ? 126.927 16.968 29      1 50.577  ? 79  B 1 .
ATOM 3886 C CG1  . VAL Bxp B 58  ? 125.514 17.443 28.719  1 53.271  ? 79  B 1 .
ATOM 3887 C CG2  . VAL Bxp B 58  ? 127.796 18.096 29.522  1 53.419  ? 79  B 1 .
ATOM 3888 H H    . VAL Bxp B 58  ? 128.949 15.739 29.571  1 61.63   ? 79  B 1 c
ATOM 3889 H HA   . VAL Bxp B 58  ? 126.623 16.055 30.834  1 53.726  ? 79  B 1 c
ATOM 3890 H HB   . VAL Bxp B 58  ? 127.313 16.663 28.147  1 52.049  ? 79  B 1 c
ATOM 3891 H HG11 . VAL Bxp B 58  ? 125.025 17.521 29.555  1 52.615  ? 79  B 1 c
ATOM 3892 H HG12 . VAL Bxp B 58  ? 125.066 16.804 28.142  1 52.521  ? 79  B 1 c
ATOM 3893 H HG13 . VAL Bxp B 58  ? 125.542 18.309 28.278  1 52.507  ? 79  B 1 c
ATOM 3894 H HG21 . VAL Bxp B 58  ? 127.364 18.949 29.352  1 52.602  ? 79  B 1 c
ATOM 3895 H HG22 . VAL Bxp B 58  ? 128.657 18.076 29.071  1 52.669  ? 79  B 1 c
ATOM 3896 H HG23 . VAL Bxp B 58  ? 127.931 17.988 30.479  1 52.647  ? 79  B 1 c
ATOM 3897 N N    . VAL Bxp B 59  ? 126.511 13.916 28.455  1 57.592  ? 80  B 1 .
ATOM 3898 C CA   . VAL Bxp B 59  ? 125.729 12.829 27.895  1 62.888  ? 80  B 1 .
ATOM 3899 C C    . VAL Bxp B 59  ? 125.513 11.755 28.962  1 64.561  ? 80  B 1 .
ATOM 3900 O O    . VAL Bxp B 59  ? 124.43  11.185 29.057  1 66.424  ? 80  B 1 .
ATOM 3901 C CB   . VAL Bxp B 59  ? 126.408 12.259 26.633  1 66.626  ? 80  B 1 .
ATOM 3902 C CG1  . VAL Bxp B 59  ? 126.276 10.748 26.555  1 69.646  ? 80  B 1 .
ATOM 3903 C CG2  . VAL Bxp B 59  ? 125.89  12.915 25.357  1 63.757  ? 80  B 1 .
ATOM 3904 H H    . VAL Bxp B 59  ? 127.358 14.061 28.142  1 56.835  ? 80  B 1 c
ATOM 3905 H HA   . VAL Bxp B 59  ? 124.856 13.184 27.637  1 62.577  ? 80  B 1 c
ATOM 3906 H HB   . VAL Bxp B 59  ? 127.37  12.465 26.702  1 65.799  ? 80  B 1 c
ATOM 3907 H HG11 . VAL Bxp B 59  ? 125.343 10.495 26.654  1 68.693  ? 80  B 1 c
ATOM 3908 H HG12 . VAL Bxp B 59  ? 126.803 10.335 27.26   1 68.7    ? 80  B 1 c
ATOM 3909 H HG13 . VAL Bxp B 59  ? 126.601 10.442 25.692  1 68.705  ? 80  B 1 c
ATOM 3910 H HG21 . VAL Bxp B 59  ? 126.525 12.767 24.635  1 64.586  ? 80  B 1 c
ATOM 3911 H HG22 . VAL Bxp B 59  ? 125.784 13.87  25.503  1 64.586  ? 80  B 1 c
ATOM 3912 H HG23 . VAL Bxp B 59  ? 125.032 12.527 25.118  1 64.578  ? 80  B 1 c
ATOM 3913 N N    . ASN Bxp B 60  ? 126.556 11.462 29.741  1 68.245  ? 81  B 1 .
ATOM 3914 C CA   . ASN Bxp B 60  ? 126.48  10.43  30.768  1 74.749  ? 81  B 1 .
ATOM 3915 C C    . ASN Bxp B 60  ? 125.537 10.888 31.883  1 63.525  ? 81  B 1 .
ATOM 3916 O O    . ASN Bxp B 60  ? 124.734 10.121 32.393  1 61.466  ? 81  B 1 .
ATOM 3917 C CB   . ASN Bxp B 60  ? 127.874 10.012 31.246  1 83.341  ? 81  B 1 .
ATOM 3918 C CG   . ASN Bxp B 60  ? 128.451 8.844  30.467  1 81.11   ? 81  B 1 .
ATOM 3919 O OD1  . ASN Bxp B 60  ? 128.158 7.688  30.77   1 89.576  ? 81  B 1 .
ATOM 3920 N ND2  . ASN Bxp B 60  ? 129.294 9.08   29.477  1 78.907  ? 81  B 1 .
ATOM 3921 H H    . ASN Bxp B 60  ? 127.342 11.914 29.628  1 68.794  ? 81  B 1 c
ATOM 3922 H HA   . ASN Bxp B 60  ? 126.075 9.635  30.353  1 72.685  ? 81  B 1 c
ATOM 3923 H HB3  . ASN Bxp B 60  ? 127.825 9.767  32.192  1 80.632  ? 81  B 1 c
ATOM 3924 H HB2  . ASN Bxp B 60  ? 128.481 10.775 31.168  1 80.449  ? 81  B 1 c
ATOM 3925 H HD21 . ASN Bxp B 60  ? 129.964 8.52   29.322  1 79.649  ? 81  B 1 c
ATOM 3926 H HD22 . ASN Bxp B 60  ? 129.189 9.799  28.968  1 79.595  ? 81  B 1 c
ATOM 3927 N N    . GLN Bxp B 61  ? 125.595 12.166 32.227  1 57.452  ? 82  B 1 .
ATOM 3928 C CA   . GLN Bxp B 61  ? 124.674 12.712 33.2    1 60.782  ? 82  B 1 .
ATOM 3929 C C    . GLN Bxp B 61  ? 123.25  12.289 32.878  1 55.623  ? 82  B 1 .
ATOM 3930 O O    . GLN Bxp B 61  ? 122.517 11.866 33.768  1 54.044  ? 82  B 1 .
ATOM 3931 C CB   . GLN Bxp B 61  ? 124.743 14.236 33.186  1 69.851  ? 82  B 1 .
ATOM 3932 C CG   . GLN Bxp B 61  ? 124.111 14.886 34.412  1 76.496  ? 82  B 1 .
ATOM 3933 C CD   . GLN Bxp B 61  ? 124.601 16.298 34.623  1 82.369  ? 82  B 1 .
ATOM 3934 O OE1  . GLN Bxp B 61  ? 125.808 16.552 34.645  1 109.088 ? 82  B 1 .
ATOM 3935 N NE2  . GLN Bxp B 61  ? 123.68  17.237 34.755  1 86.579  ? 82  B 1 .
ATOM 3936 H H    . GLN Bxp B 61  ? 126.228 12.711 31.856  1 59.881  ? 82  B 1 c
ATOM 3937 H HA   . GLN Bxp B 61  ? 124.921 12.372 34.097  1 60.746  ? 82  B 1 c
ATOM 3938 H HB3  . GLN Bxp B 61  ? 124.292 14.567 32.382  1 68.837  ? 82  B 1 c
ATOM 3939 H HB2  . GLN Bxp B 61  ? 125.684 14.506 33.132  1 69.205  ? 82  B 1 c
ATOM 3940 H HG3  . GLN Bxp B 61  ? 124.32  14.353 35.208  1 76.131  ? 82  B 1 c
ATOM 3941 H HG2  . GLN Bxp B 61  ? 123.135 14.897 34.306  1 76.316  ? 82  B 1 c
ATOM 3942 H HE21 . GLN Bxp B 61  ? 123.773 18.011 34.333  1 85.243  ? 82  B 1 c
ATOM 3943 H HE22 . GLN Bxp B 61  ? 122.969 17.09  35.266  1 85.186  ? 82  B 1 c
ATOM 3944 N N    . ALA Bxp B 62  ? 122.887 12.422 31.599  1 63.869  ? 83  B 1 .
ATOM 3945 C CA   . ALA Bxp B 62  ? 121.549 12.098 31.114  1 75.371  ? 83  B 1 .
ATOM 3946 C C    . ALA Bxp B 62  ? 121.244 10.614 31.287  1 79.468  ? 83  B 1 .
ATOM 3947 O O    . ALA Bxp B 62  ? 120.165 10.255 31.775  1 68.369  ? 83  B 1 .
ATOM 3948 C CB   . ALA Bxp B 62  ? 121.389 12.473 29.654  1 76.107  ? 83  B 1 .
ATOM 3949 H H    . ALA Bxp B 62  ? 123.499 12.738 30.999  1 64.231  ? 83  B 1 c
ATOM 3950 H HA   . ALA Bxp B 62  ? 120.891 12.615 31.655  1 73.822  ? 83  B 1 c
ATOM 3951 H HB3  . ALA Bxp B 62  ? 120.446 12.466 29.417  1 75.864  ? 83  B 1 c
ATOM 3952 H HB2  . ALA Bxp B 62  ? 121.864 11.835 29.097  1 75.85   ? 83  B 1 c
ATOM 3953 H HB1  . ALA Bxp B 62  ? 121.751 13.363 29.504  1 75.798  ? 83  B 1 c
ATOM 3954 N N    . ASP Bxp B 63  ? 122.182 9.769  30.83   1 79.141  ? 84  B 1 .
ATOM 3955 C CA   . ASP Bxp B 63  ? 121.994 8.334  30.928  1 84.255  ? 84  B 1 .
ATOM 3956 C C    . ASP Bxp B 63  ? 121.834 7.967  32.402  1 90.771  ? 84  B 1 .
ATOM 3957 O O    . ASP Bxp B 63  ? 120.826 7.366  32.768  1 99.203  ? 84  B 1 .
ATOM 3958 C CB   . ASP Bxp B 63  ? 123.095 7.558  30.226  1 81.947  ? 84  B 1 .
ATOM 3959 C CG   . ASP Bxp B 63  ? 122.633 6.244  29.612  1 80.749  ? 84  B 1 .
ATOM 3960 O OD1  . ASP Bxp B 63  ? 121.834 6.31   28.656  1 75.23   ? 84  B 1 .
ATOM 3961 O OD2  . ASP Bxp B 63  ? 123.05  5.171  30.104  1 77.842  ? 84  B 1 .
ATOM 3962 H H    . ASP Bxp B 63  ? 122.948 10.095 30.451  1 80.217  ? 84  B 1 c
ATOM 3963 H HA   . ASP Bxp B 63  ? 121.153 8.112  30.469  1 83.86   ? 84  B 1 c
ATOM 3964 H HB3  . ASP Bxp B 63  ? 123.811 7.365  30.866  1 82.2    ? 84  B 1 c
ATOM 3965 H HB2  . ASP Bxp B 63  ? 123.471 8.11   29.509  1 82.158  ? 84  B 1 c
ATOM 3966 N N    . MET Bxp B 64  ? 122.807 8.379  33.233  1 91.591  ? 85  B 1 .
ATOM 3967 C CA   . MET Bxp B 64  ? 122.783 8.144  34.673  1 91.061  ? 85  B 1 .
ATOM 3968 C C    . MET Bxp B 64  ? 121.492 8.689  35.282  1 82.14   ? 85  B 1 .
ATOM 3969 O O    . MET Bxp B 64  ? 120.916 8.072  36.169  1 83.768  ? 85  B 1 .
ATOM 3970 C CB   . MET Bxp B 64  ? 123.978 8.79   35.389  1 98.511  ? 85  B 1 .
ATOM 3971 C CG   . MET Bxp B 64  ? 125.322 8.14   35.083  1 97.936  ? 85  B 1 .
ATOM 3972 S SD   . MET Bxp B 64  ? 126.648 8.695  36.172  1 100.063 ? 85  B 1 .
ATOM 3973 C CE   . MET Bxp B 64  ? 126.711 7.449  37.47   1 94.443  ? 85  B 1 .
ATOM 3974 H H    . MET Bxp B 64  ? 123.523 8.826  32.88   1 91.191  ? 85  B 1 c
ATOM 3975 H HA   . MET Bxp B 64  ? 122.806 7.164  34.822  1 90.731  ? 85  B 1 c
ATOM 3976 H HB3  . MET Bxp B 64  ? 123.821 8.75   36.357  1 96.553  ? 85  B 1 c
ATOM 3977 H HB2  . MET Bxp B 64  ? 124.019 9.737  35.134  1 96.624  ? 85  B 1 c
ATOM 3978 H HG3  . MET Bxp B 64  ? 125.573 8.339  34.16   1 98.21   ? 85  B 1 c
ATOM 3979 H HG2  . MET Bxp B 64  ? 125.236 7.169  35.167  1 98.421  ? 85  B 1 c
ATOM 3980 H HE3  . MET Bxp B 64  ? 126.862 6.572  37.071  1 95.813  ? 85  B 1 c
ATOM 3981 H HE2  . MET Bxp B 64  ? 125.866 7.444  37.956  1 95.813  ? 85  B 1 c
ATOM 3982 H HE1  . MET Bxp B 64  ? 127.439 7.657  38.084  1 95.813  ? 85  B 1 c
ATOM 3983 N N    . ALA Bxp B 65  ? 121.045 9.85   34.802  1 68.626  ? 86  B 1 .
ATOM 3984 C CA   . ALA Bxp B 65  ? 119.778 10.412 35.227  1 65.066  ? 86  B 1 .
ATOM 3985 C C    . ALA Bxp B 65  ? 118.611 9.479  34.911  1 63.178  ? 86  B 1 .
ATOM 3986 O O    . ALA Bxp B 65  ? 118.019 8.9    35.81   1 58.107  ? 86  B 1 .
ATOM 3987 C CB   . ALA Bxp B 65  ? 119.59  11.732 34.555  1 69.472  ? 86  B 1 .
ATOM 3988 H H    . ALA Bxp B 65  ? 121.552 10.311 34.198  1 70.942  ? 86  B 1 c
ATOM 3989 H HA   . ALA Bxp B 65  ? 119.811 10.548 36.214  1 66.217  ? 86  B 1 c
ATOM 3990 H HB3  . ALA Bxp B 65  ? 118.659 12.003 34.621  1 68.001  ? 86  B 1 c
ATOM 3991 H HB2  . ALA Bxp B 65  ? 119.84  11.667 33.62   1 68.044  ? 86  B 1 c
ATOM 3992 H HB1  . ALA Bxp B 65  ? 120.148 12.4   34.989  1 68.007  ? 86  B 1 c
ATOM 3993 N N    . LEU Bxp B 66  ? 118.298 9.329  33.623  1 69.193  ? 87  B 1 .
ATOM 3994 C CA   . LEU Bxp B 66  ? 117.22  8.456  33.189  1 78.46   ? 87  B 1 .
ATOM 3995 C C    . LEU Bxp B 66  ? 117.371 7.049  33.778  1 80.939  ? 87  B 1 .
ATOM 3996 O O    . LEU Bxp B 66  ? 116.378 6.393  34.086  1 75.002  ? 87  B 1 .
ATOM 3997 C CB   . LEU Bxp B 66  ? 117.181 8.414  31.66   1 87.783  ? 87  B 1 .
ATOM 3998 C CG   . LEU Bxp B 66  ? 116.074 7.543  31.045  1 89.363  ? 87  B 1 .
ATOM 3999 C CD1  . LEU Bxp B 66  ? 115.534 8.044  29.71   1 87.498  ? 87  B 1 .
ATOM 4000 C CD2  . LEU Bxp B 66  ? 116.525 6.103  30.889  1 88.313  ? 87  B 1 .
ATOM 4001 H H    . LEU Bxp B 66  ? 118.78  9.778  32.989  1 69.724  ? 87  B 1 c
ATOM 4002 H HA   . LEU Bxp B 66  ? 116.367 8.838  33.519  1 78.577  ? 87  B 1 c
ATOM 4003 H HB3  . LEU Bxp B 66  ? 118.052 8.084  31.339  1 85.938  ? 87  B 1 c
ATOM 4004 H HB2  . LEU Bxp B 66  ? 117.071 9.336  31.33   1 85.92   ? 87  B 1 c
ATOM 4005 H HG   . LEU Bxp B 66  ? 115.312 7.54   31.681  1 88.465  ? 87  B 1 c
ATOM 4006 H HD11 . LEU Bxp B 66  ? 115.017 8.854  29.853  1 87.987  ? 87  B 1 c
ATOM 4007 H HD12 . LEU Bxp B 66  ? 114.966 7.363  29.313  1 88.031  ? 87  B 1 c
ATOM 4008 H HD13 . LEU Bxp B 66  ? 116.276 8.236  29.112  1 88.03   ? 87  B 1 c
ATOM 4009 H HD21 . LEU Bxp B 66  ? 117.205 5.9    31.551  1 88.51   ? 87  B 1 c
ATOM 4010 H HD22 . LEU Bxp B 66  ? 116.892 5.973  29.998  1 88.62   ? 87  B 1 c
ATOM 4011 H HD23 . LEU Bxp B 66  ? 115.766 5.51   31.015  1 88.757  ? 87  B 1 c
ATOM 4012 N N    . GLN Bxp B 67  ? 118.612 6.559  33.873  1 88.283  ? 88  B 1 .
ATOM 4013 C CA   . GLN Bxp B 67  ? 118.886 5.269  34.487  1 96.278  ? 88  B 1 .
ATOM 4014 C C    . GLN Bxp B 67  ? 118.173 5.193  35.838  1 101.875 ? 88  B 1 .
ATOM 4015 O O    . GLN Bxp B 67  ? 117.381 4.278  36.07   1 101.435 ? 88  B 1 .
ATOM 4016 C CB   . GLN Bxp B 67  ? 120.407 5.075  34.576  1 106.278 ? 88  B 1 .
ATOM 4017 C CG   . GLN Bxp B 67  ? 120.884 3.779  35.241  1 108.964 ? 88  B 1 .
ATOM 4018 C CD   . GLN Bxp B 67  ? 122.394 3.628  35.279  1 99.127  ? 88  B 1 .
ATOM 4019 O OE1  . GLN Bxp B 67  ? 123.013 3.29   34.271  1 101.138 ? 88  B 1 .
ATOM 4020 N NE2  . GLN Bxp B 67  ? 123.018 3.862  36.428  1 92.583  ? 88  B 1 .
ATOM 4021 H H    . GLN Bxp B 67  ? 119.311 7.041  33.533  1 87.942  ? 88  B 1 c
ATOM 4022 H HA   . GLN Bxp B 67  ? 118.516 4.563  33.898  1 97.399  ? 88  B 1 c
ATOM 4023 H HB3  . GLN Bxp B 67  ? 120.784 5.833  35.066  1 104.252 ? 88  B 1 c
ATOM 4024 H HB2  . GLN Bxp B 67  ? 120.77  5.105  33.667  1 104.421 ? 88  B 1 c
ATOM 4025 H HG3  . GLN Bxp B 67  ? 120.506 3.013  34.758  1 105.985 ? 88  B 1 c
ATOM 4026 H HG2  . GLN Bxp B 67  ? 120.545 3.746  36.161  1 105.838 ? 88  B 1 c
ATOM 4027 H HE21 . GLN Bxp B 67  ? 123.775 3.439  36.614  1 94.617  ? 88  B 1 c
ATOM 4028 H HE22 . GLN Bxp B 67  ? 122.676 4.441  37.007  1 94.645  ? 88  B 1 c
ATOM 4029 N N    . THR Bxp B 68  ? 118.432 6.181  36.711  1 96.512  ? 89  B 1 .
ATOM 4030 C CA   . THR Bxp B 68  ? 117.876 6.209  38.059  1 88.815  ? 89  B 1 .
ATOM 4031 C C    . THR Bxp B 68  ? 116.387 5.89   38.028  1 90.202  ? 89  B 1 .
ATOM 4032 O O    . THR Bxp B 68  ? 115.874 5.261  38.951  1 106.683 ? 89  B 1 .
ATOM 4033 C CB   . THR Bxp B 68  ? 118.134 7.578  38.685  1 87.135  ? 89  B 1 .
ATOM 4034 O OG1  . THR Bxp B 68  ? 119.47  7.527  39.164  1 88.956  ? 89  B 1 .
ATOM 4035 C CG2  . THR Bxp B 68  ? 117.251 7.878  39.877  1 91.569  ? 89  B 1 .
ATOM 4036 H H    . THR Bxp B 68  ? 118.985 6.862  36.454  1 95.776  ? 89  B 1 c
ATOM 4037 H HA   . THR Bxp B 68  ? 118.334 5.527  38.597  1 90.199  ? 89  B 1 c
ATOM 4038 H HB   . THR Bxp B 68  ? 118.046 8.296  38.014  1 88.376  ? 89  B 1 c
ATOM 4039 H HG1  . THR Bxp B 68  ? 119.725 6.889  39.745  0 54.21   ? 89  B 1 c
ATOM 4040 H HG21 . THR Bxp B 68  ? 117.645 8.599  40.398  1 90.242  ? 89  B 1 c
ATOM 4041 H HG22 . THR Bxp B 68  ? 117.173 7.085  40.434  1 90.311  ? 89  B 1 c
ATOM 4042 H HG23 . THR Bxp B 68  ? 116.369 8.148  39.572  1 90.248  ? 89  B 1 c
ATOM 4043 N N    . LEU Bxp B 69  ? 115.703 6.361  36.976  1 88.779  ? 90  B 1 .
ATOM 4044 C CA   . LEU Bxp B 69  ? 114.264 6.206  36.875  1 85.117  ? 90  B 1 .
ATOM 4045 C C    . LEU Bxp B 69  ? 113.914 4.793  36.417  1 92.191  ? 90  B 1 .
ATOM 4046 O O    . LEU Bxp B 69  ? 112.784 4.36   36.59   1 95.959  ? 90  B 1 .
ATOM 4047 C CB   . LEU Bxp B 69  ? 113.654 7.22   35.91   1 86.394  ? 90  B 1 .
ATOM 4048 C CG   . LEU Bxp B 69  ? 113.974 8.703  36.13   1 91.596  ? 90  B 1 .
ATOM 4049 C CD1  . LEU Bxp B 69  ? 112.98  9.509  35.29   1 89.922  ? 90  B 1 .
ATOM 4050 C CD2  . LEU Bxp B 69  ? 114.005 9.164  37.591  1 89.397  ? 90  B 1 .
ATOM 4051 H H    . LEU Bxp B 69  ? 116.142 6.813  36.315  1 88.372  ? 90  B 1 c
ATOM 4052 H HA   . LEU Bxp B 69  ? 113.874 6.346  37.775  1 87.441  ? 90  B 1 c
ATOM 4053 H HB3  . LEU Bxp B 69  ? 112.675 7.11   35.937  1 87.277  ? 90  B 1 c
ATOM 4054 H HB2  . LEU Bxp B 69  ? 113.938 6.978  34.998  1 87.215  ? 90  B 1 c
ATOM 4055 H HG   . LEU Bxp B 69  ? 114.877 8.872  35.755  1 89.891  ? 90  B 1 c
ATOM 4056 H HD11 . LEU Bxp B 69  ? 112.995 9.188  34.372  1 90.381  ? 90  B 1 c
ATOM 4057 H HD12 . LEU Bxp B 69  ? 113.227 10.449 35.307  1 90.399  ? 90  B 1 c
ATOM 4058 H HD13 . LEU Bxp B 69  ? 112.085 9.403  35.655  1 90.383  ? 90  B 1 c
ATOM 4059 H HD21 . LEU Bxp B 69  ? 114.864 8.938  37.985  1 90.037  ? 90  B 1 c
ATOM 4060 H HD22 . LEU Bxp B 69  ? 113.296 8.721  38.087  1 90.036  ? 90  B 1 c
ATOM 4061 H HD23 . LEU Bxp B 69  ? 113.875 10.126 37.632  1 90.035  ? 90  B 1 c
ATOM 4062 N N    . ALA Bxp B 70  ? 114.857 4.098  35.776  1 104.398 ? 91  B 1 .
ATOM 4063 C CA   . ALA Bxp B 70  ? 114.632 2.729  35.347  1 104.928 ? 91  B 1 .
ATOM 4064 C C    . ALA Bxp B 70  ? 114.629 1.803  36.551  1 94.461  ? 91  B 1 .
ATOM 4065 O O    . ALA Bxp B 70  ? 114.298 0.637  36.396  1 86.832  ? 91  B 1 .
ATOM 4066 C CB   . ALA Bxp B 70  ? 115.691 2.294  34.36   1 118.757 ? 91  B 1 .
ATOM 4067 H H    . ALA Bxp B 70  ? 115.658 4.492  35.584  1 101.383 ? 91  B 1 c
ATOM 4068 H HA   . ALA Bxp B 70  ? 113.737 2.678  34.909  1 105.055 ? 91  B 1 c
ATOM 4069 H HB3  . ALA Bxp B 70  ? 115.385 1.507  33.877  1 114.404 ? 91  B 1 c
ATOM 4070 H HB2  . ALA Bxp B 70  ? 116.513 2.079  34.833  1 114.25  ? 91  B 1 c
ATOM 4071 H HB1  . ALA Bxp B 70  ? 115.864 3.011  33.727  1 114.332 ? 91  B 1 c
ATOM 4072 N N    . GLU Bxp B 71  ? 115.079 2.318  37.702  1 102.303 ? 92  B 1 .
ATOM 4073 C CA   . GLU Bxp B 71  ? 115.013 1.604  38.966  1 110.795 ? 92  B 1 .
ATOM 4074 C C    . GLU Bxp B 71  ? 113.642 1.818  39.621  1 118.185 ? 92  B 1 .
ATOM 4075 O O    . GLU Bxp B 71  ? 112.626 1.225  39.234  1 95.398  ? 92  B 1 .
ATOM 4076 C CB   . GLU Bxp B 71  ? 116.143 2.119  39.864  1 113.753 ? 92  B 1 .
ATOM 4077 C CG   . GLU Bxp B 71  ? 117.379 1.234  39.987  1 113.316 ? 92  B 1 .
ATOM 4078 C CD   . GLU Bxp B 71  ? 118.332 1.78   41.05   1 112.303 ? 92  B 1 .
ATOM 4079 O OE1  . GLU Bxp B 71  ? 118.895 2.843  40.731  1 122.28  ? 92  B 1 .
ATOM 4080 O OE2  . GLU Bxp B 71  ? 118.519 1.231  42.169  1 86.323  ? 92  B 1 .
ATOM 4081 H H    . GLU Bxp B 71  ? 115.463 3.146  37.694  1 102.286 ? 92  B 1 c
ATOM 4082 H HA   . GLU Bxp B 71  ? 115.143 0.636  38.795  1 110.649 ? 92  B 1 c
ATOM 4083 H HB3  . GLU Bxp B 71  ? 115.804 2.221  40.775  1 113.379 ? 92  B 1 c
ATOM 4084 H HB2  . GLU Bxp B 71  ? 116.425 3.002  39.552  1 112.857 ? 92  B 1 c
ATOM 4085 H HG3  . GLU Bxp B 71  ? 117.845 1.198  39.125  1 113.184 ? 92  B 1 c
ATOM 4086 H HG2  . GLU Bxp B 71  ? 117.109 0.324  40.235  1 113.184 ? 92  B 1 c
ATOM 4087 N N    . ASN Bxp B 72  ? 113.62  2.716  40.615  1 134.176 ? 93  B 1 .
ATOM 4088 C CA   . ASN Bxp B 72  ? 112.452 2.911  41.453  1 141.406 ? 93  B 1 .
ATOM 4089 C C    . ASN Bxp B 72  ? 111.394 3.581  40.591  1 137.15  ? 93  B 1 .
ATOM 4090 O O    . ASN Bxp B 72  ? 111.665 4.652  40.057  1 144.249 ? 93  B 1 .
ATOM 4091 C CB   . ASN Bxp B 72  ? 112.707 3.838  42.642  1 143.12  ? 93  B 1 .
ATOM 4092 C CG   . ASN Bxp B 72  ? 114.02  3.605  43.357  1 144.949 ? 93  B 1 .
ATOM 4093 O OD1  . ASN Bxp B 72  ? 115.091 3.694  42.747  1 137.282 ? 93  B 1 .
ATOM 4094 N ND2  . ASN Bxp B 72  ? 113.967 3.36   44.657  1 142.765 ? 93  B 1 .
ATOM 4095 H H    . ASN Bxp B 72  ? 114.338 3.266  40.739  1 131.373 ? 93  B 1 c
ATOM 4096 H HA   . ASN Bxp B 72  ? 112.134 2.044  41.788  1 139.193 ? 93  B 1 c
ATOM 4097 H HB3  . ASN Bxp B 72  ? 111.978 3.726  43.285  1 143.141 ? 93  B 1 c
ATOM 4098 H HB2  . ASN Bxp B 72  ? 112.685 4.765  42.331  1 143.118 ? 93  B 1 c
ATOM 4099 H HD21 . ASN Bxp B 72  ? 114.512 3.788  45.211  1 143.433 ? 93  B 1 c
ATOM 4100 H HD22 . ASN Bxp B 72  ? 113.386 2.769  44.972  1 143.431 ? 93  B 1 c
ATOM 4101 N N    . PRO Bxp B 73  ? 110.193 2.992  40.394  1 126.784 ? 94  B 1 .
ATOM 4102 C CA   . PRO Bxp B 73  ? 109.061 3.735  39.839  1 143.723 ? 94  B 1 .
ATOM 4103 C C    . PRO Bxp B 73  ? 108.549 4.887  40.729  1 150.454 ? 94  B 1 .
ATOM 4104 O O    . PRO Bxp B 73  ? 108.718 4.88   41.949  1 124.41  ? 94  B 1 .
ATOM 4105 C CB   . PRO Bxp B 73  ? 108.062 2.61   39.51   1 125.078 ? 94  B 1 .
ATOM 4106 C CG   . PRO Bxp B 73  ? 108.966 1.389  39.375  1 112.551 ? 94  B 1 .
ATOM 4107 C CD   . PRO Bxp B 73  ? 109.897 1.561  40.519  1 115.112 ? 94  B 1 .
ATOM 4108 H HA   . PRO Bxp B 73  ? 109.346 4.122  38.985  1 137.96  ? 94  B 1 c
ATOM 4109 H HB3  . PRO Bxp B 73  ? 107.589 2.792  38.675  1 125.978 ? 94  B 1 c
ATOM 4110 H HB2  . PRO Bxp B 73  ? 107.415 2.492  40.232  1 125.978 ? 94  B 1 c
ATOM 4111 H HG3  . PRO Bxp B 73  ? 109.447 1.393  38.524  1 115.825 ? 94  B 1 c
ATOM 4112 H HG2  . PRO Bxp B 73  ? 108.457 0.557  39.458  1 115.825 ? 94  B 1 c
ATOM 4113 H HD3  . PRO Bxp B 73  ? 109.466 1.363  41.373  1 117.14  ? 94  B 1 c
ATOM 4114 H HD2  . PRO Bxp B 73  ? 110.699 1.018  40.419  1 117.202 ? 94  B 1 c
ATOM 4115 N N    . ALA Bxp B 74  ? 107.939 5.903  40.079  1 158.959 ? 95  B 1 .
ATOM 4116 C CA   . ALA Bxp B 74  ? 107.537 7.172  40.681  1 134.519 ? 95  B 1 .
ATOM 4117 C C    . ALA Bxp B 74  ? 106.018 7.286  40.617  1 141.308 ? 95  B 1 .
ATOM 4118 O O    . ALA Bxp B 74  ? 105.476 7.3    39.516  1 143.729 ? 95  B 1 .
ATOM 4119 C CB   . ALA Bxp B 74  ? 108.182 8.344  39.952  1 110.072 ? 95  B 1 .
ATOM 4120 H H    . ALA Bxp B 74  ? 107.76  5.785  39.191  1 150.892 ? 95  B 1 c
ATOM 4121 H HA   . ALA Bxp B 74  ? 107.82  7.178  41.636  1 135.345 ? 95  B 1 c
ATOM 4122 H HB3  . ALA Bxp B 74  ? 107.809 9.18   40.281  1 116.899 ? 95  B 1 c
ATOM 4123 H HB2  . ALA Bxp B 74  ? 108.01  8.271  38.998  1 116.804 ? 95  B 1 c
ATOM 4124 H HB1  . ALA Bxp B 74  ? 109.141 8.338  40.107  1 116.804 ? 95  B 1 c
ATOM 4125 N N    . ASP Bxp B 75  ? 105.38  7.374  41.802  1 150.502 ? 96  B 1 .
ATOM 4126 C CA   . ASP Bxp B 75  ? 103.937 7.418  42.012  1 149.606 ? 96  B 1 .
ATOM 4127 C C    . ASP Bxp B 75  ? 103.304 8.568  41.219  1 167.201 ? 96  B 1 .
ATOM 4128 O O    . ASP Bxp B 75  ? 103.005 9.623  41.793  1 169.674 ? 96  B 1 .
ATOM 4129 C CB   . ASP Bxp B 75  ? 103.662 7.526  43.508  1 134.516 ? 96  B 1 .
ATOM 4130 C CG   . ASP Bxp B 75  ? 102.558 6.639  44.062  1 132.702 ? 96  B 1 .
ATOM 4131 O OD1  . ASP Bxp B 75  ? 102.606 5.414  43.826  1 123.242 ? 96  B 1 .
ATOM 4132 O OD2  . ASP Bxp B 75  ? 101.68  7.187  44.741  1 131.822 ? 96  B 1 .
ATOM 4133 H H    . ASP Bxp B 75  ? 105.908 7.413  42.547  1 147.633 ? 96  B 1 c
ATOM 4134 H HA   . ASP Bxp B 75  ? 103.555 6.571  41.69   1 149.746 ? 96  B 1 c
ATOM 4135 H HB3  . ASP Bxp B 75  ? 103.443 8.453  43.736  1 137.701 ? 96  B 1 c
ATOM 4136 H HB2  . ASP Bxp B 75  ? 104.478 7.295  43.998  1 137.584 ? 96  B 1 c
ATOM 4137 N N    . THR Bxp B 76  ? 103.105 8.331  39.907  1 176.396 ? 97  B 1 .
ATOM 4138 C CA   . THR Bxp B 76  ? 102.414 9.253  39.014  1 157.276 ? 97  B 1 .
ATOM 4139 C C    . THR Bxp B 76  ? 102.072 8.534  37.704  1 144.834 ? 97  B 1 .
ATOM 4140 O O    . THR Bxp B 76  ? 102.87  7.745  37.194  1 137.759 ? 97  B 1 .
ATOM 4141 C CB   . THR Bxp B 76  ? 103.268 10.498 38.769  1 142.818 ? 97  B 1 .
ATOM 4142 O OG1  . THR Bxp B 76  ? 102.352 11.488 38.305  1 134.063 ? 97  B 1 .
ATOM 4143 C CG2  . THR Bxp B 76  ? 104.417 10.218 37.815  1 139.168 ? 97  B 1 .
ATOM 4144 H H    . THR Bxp B 76  ? 103.419 7.547  39.557  1 169.042 ? 97  B 1 c
ATOM 4145 H HA   . THR Bxp B 76  ? 101.578 9.53   39.449  1 155.227 ? 97  B 1 c
ATOM 4146 H HB   . THR Bxp B 76  ? 103.654 10.802 39.625  1 143.101 ? 97  B 1 c
ATOM 4147 H HG1  . THR Bxp B 76  ? 101.604 11.069 37.576  0 60      ? 97  B 1 c
ATOM 4148 H HG21 . THR Bxp B 76  ? 104.973 11.011 37.735  1 139.953 ? 97  B 1 c
ATOM 4149 H HG22 . THR Bxp B 76  ? 104.069 9.979  36.942  1 139.928 ? 97  B 1 c
ATOM 4150 H HG23 . THR Bxp B 76  ? 104.952 9.483  38.159  1 140.141 ? 97  B 1 c
ATOM 4151 N N    . ASP Bxp B 77  ? 100.889 8.866  37.165  1 134.765 ? 98  B 1 .
ATOM 4152 C CA   . ASP Bxp B 77  ? 100.258 8.232  36.011  1 121.437 ? 98  B 1 .
ATOM 4153 C C    . ASP Bxp B 77  ? 101.228 8.09   34.838  1 130.862 ? 98  B 1 .
ATOM 4154 O O    . ASP Bxp B 77  ? 102.429 8.289  34.993  1 125.558 ? 98  B 1 .
ATOM 4155 C CB   . ASP Bxp B 77  ? 99.022  9.021  35.605  1 108.224 ? 98  B 1 .
ATOM 4156 C CG   . ASP Bxp B 77  ? 99.283  10.503 35.377  1 119.02  ? 98  B 1 .
ATOM 4157 O OD1  . ASP Bxp B 77  ? 99.967  10.841 34.393  1 127.009 ? 98  B 1 .
ATOM 4158 O OD2  . ASP Bxp B 77  ? 98.858  11.308 36.223  1 124.431 ? 98  B 1 .
ATOM 4159 H H    . ASP Bxp B 77  ? 100.434 9.551  37.565  1 133.913 ? 98  B 1 c
ATOM 4160 H HA   . ASP Bxp B 77  ? 99.963  7.332  36.28   1 122.964 ? 98  B 1 c
ATOM 4161 H HB3  . ASP Bxp B 77  ? 98.363  8.942  36.325  1 113.694 ? 98  B 1 c
ATOM 4162 H HB2  . ASP Bxp B 77  ? 98.618  8.646  34.797  1 113.87  ? 98  B 1 c
ATOM 4163 N N    . ARG Bxp B 78  ? 100.683 7.744  33.661  1 140.026 ? 99  B 1 .
ATOM 4164 C CA   . ARG Bxp B 78  ? 101.477 7.418  32.487  1 143.916 ? 99  B 1 .
ATOM 4165 C C    . ARG Bxp B 78  ? 101.942 8.668  31.737  1 147.002 ? 99  B 1 .
ATOM 4166 O O    . ARG Bxp B 78  ? 102.957 8.601  31.054  1 160.761 ? 99  B 1 .
ATOM 4167 C CB   . ARG Bxp B 78  ? 100.698 6.49   31.549  1 128.749 ? 99  B 1 .
ATOM 4168 C CG   . ARG Bxp B 78  ? 99.532  7.148  30.831  1 119.045 ? 99  B 1 .
ATOM 4169 C CD   . ARG Bxp B 78  ? 98.56   6.111  30.348  1 119.223 ? 99  B 1 .
ATOM 4170 N NE   . ARG Bxp B 78  ? 97.651  6.639  29.329  1 110.836 ? 99  B 1 .
ATOM 4171 C CZ   . ARG Bxp B 78  ? 96.813  5.882  28.647  1 98.504  ? 99  B 1 .
ATOM 4172 N NH1  . ARG Bxp B 78  ? 96.603  4.627  28.996  1 99.806  ? 99  B 1 .
ATOM 4173 N NH2  . ARG Bxp B 78  ? 96.157  6.396  27.637  1 98.851  ? 99  B 1 .
ATOM 4174 H H    . ARG Bxp B 78  ? 99.774  7.689  33.594  1 137.687 ? 99  B 1 c
ATOM 4175 H HA   . ARG Bxp B 78  ? 102.282 6.927  32.791  1 140.653 ? 99  B 1 c
ATOM 4176 H HB3  . ARG Bxp B 78  ? 100.359 5.732  32.071  1 129.634 ? 99  B 1 c
ATOM 4177 H HB2  . ARG Bxp B 78  ? 101.318 6.133  30.878  1 129.684 ? 99  B 1 c
ATOM 4178 H HG3  . ARG Bxp B 78  ? 99.865  7.661  30.062  1 121.279 ? 99  B 1 c
ATOM 4179 H HG2  . ARG Bxp B 78  ? 99.072  7.764  31.442  1 121.414 ? 99  B 1 c
ATOM 4180 H HD3  . ARG Bxp B 78  ? 98.036  5.783  31.108  1 117.144 ? 99  B 1 c
ATOM 4181 H HD2  . ARG Bxp B 78  ? 99.056  5.354  29.975  1 117.121 ? 99  B 1 c
ATOM 4182 H HE   . ARG Bxp B 78  ? 97.662  7.495  29.164  1 109.66  ? 99  B 1 c
ATOM 4183 H HH11 . ARG Bxp B 78  ? 97.21   4.012  28.809  1 99.404  ? 99  B 1 c
ATOM 4184 H HH12 . ARG Bxp B 78  ? 95.856  4.407  29.415  1 99.404  ? 99  B 1 c
ATOM 4185 H HH21 . ARG Bxp B 78  ? 96.565  6.955  27.087  1 98.744  ? 99  B 1 c
ATOM 4186 H HH22 . ARG Bxp B 78  ? 95.309  6.181  27.509  1 98.744  ? 99  B 1 c
ATOM 4187 N N    . GLU Bxp B 79  ? 101.228 9.8    31.84   1 145.497 ? 100 B 1 .
ATOM 4188 C CA   . GLU Bxp B 79  ? 101.655 11.01  31.143  1 137.408 ? 100 B 1 .
ATOM 4189 C C    . GLU Bxp B 79  ? 102.982 11.5   31.727  1 130.652 ? 100 B 1 .
ATOM 4190 O O    . GLU Bxp B 79  ? 103.776 12.156 31.045  1 119.278 ? 100 B 1 .
ATOM 4191 C CB   . GLU Bxp B 79  ? 100.667 12.179 31.187  1 121.612 ? 100 B 1 .
ATOM 4192 C CG   . GLU Bxp B 79  ? 101.033 13.286 30.2    1 113.964 ? 100 B 1 .
ATOM 4193 C CD   . GLU Bxp B 79  ? 100.751 14.71  30.651  1 107.253 ? 100 B 1 .
ATOM 4194 O OE1  . GLU Bxp B 79  ? 101.262 15.133 31.702  1 96.907  ? 100 B 1 .
ATOM 4195 O OE2  . GLU Bxp B 79  ? 100.022 15.399 29.925  1 107.267 ? 100 B 1 .
ATOM 4196 H H    . GLU Bxp B 79  ? 100.466 9.821  32.344  1 143.971 ? 100 B 1 c
ATOM 4197 H HA   . GLU Bxp B 79  ? 101.804 10.777 30.191  1 134.805 ? 100 B 1 c
ATOM 4198 H HB3  . GLU Bxp B 79  ? 100.646 12.543 32.097  1 123.007 ? 100 B 1 c
ATOM 4199 H HB2  . GLU Bxp B 79  ? 99.771  11.844 30.978  1 123.167 ? 100 B 1 c
ATOM 4200 H HG3  . GLU Bxp B 79  ? 100.543 13.131 29.365  1 114.054 ? 100 B 1 c
ATOM 4201 H HG2  . GLU Bxp B 79  ? 101.986 13.22  29.984  1 114.274 ? 100 B 1 c
ATOM 4202 N N    . ASN Bxp B 80  ? 103.205 11.22  33.014  1 121.509 ? 101 B 1 .
ATOM 4203 C CA   . ASN Bxp B 80  ? 104.404 11.695 33.678  1 119.756 ? 101 B 1 .
ATOM 4204 C C    . ASN Bxp B 80  ? 105.547 10.706 33.536  1 107.033 ? 101 B 1 .
ATOM 4205 O O    . ASN Bxp B 80  ? 106.7   11.109 33.445  1 106.905 ? 101 B 1 .
ATOM 4206 C CB   . ASN Bxp B 80  ? 104.166 11.985 35.144  1 122.073 ? 101 B 1 .
ATOM 4207 C CG   . ASN Bxp B 80  ? 103.598 13.363 35.322  1 126.642 ? 101 B 1 .
ATOM 4208 O OD1  . ASN Bxp B 80  ? 102.469 13.613 34.891  1 124.643 ? 101 B 1 .
ATOM 4209 N ND2  . ASN Bxp B 80  ? 104.373 14.254 35.925  1 132.28  ? 101 B 1 .
ATOM 4210 H H    . ASN Bxp B 80  ? 102.595 10.736 33.492  1 123.579 ? 101 B 1 c
ATOM 4211 H HA   . ASN Bxp B 80  ? 104.674 12.538 33.256  1 117.892 ? 101 B 1 c
ATOM 4212 H HB3  . ASN Bxp B 80  ? 105.009 11.912 35.634  1 122.758 ? 101 B 1 c
ATOM 4213 H HB2  . ASN Bxp B 80  ? 103.539 11.329 35.506  1 122.827 ? 101 B 1 c
ATOM 4214 H HD21 . ASN Bxp B 80  ? 104.039 14.768 36.566  1 130.519 ? 101 B 1 c
ATOM 4215 H HD22 . ASN Bxp B 80  ? 105.223 14.334 35.687  1 130.519 ? 101 B 1 c
ATOM 4216 N N    . MET Bxp B 81  ? 105.234 9.414  33.561  1 101.641 ? 102 B 1 .
ATOM 4217 C CA   . MET Bxp B 81  ? 106.243 8.415  33.263  1 90.993  ? 102 B 1 .
ATOM 4218 C C    . MET Bxp B 81  ? 107.043 8.851  32.04   1 77.783  ? 102 B 1 .
ATOM 4219 O O    . MET Bxp B 81  ? 108.233 8.593  32.009  1 79.98   ? 102 B 1 .
ATOM 4220 C CB   . MET Bxp B 81  ? 105.606 7.048  33      1 93.554  ? 102 B 1 .
ATOM 4221 C CG   . MET Bxp B 81  ? 106.492 6.058  32.288  1 91.607  ? 102 B 1 .
ATOM 4222 S SD   . MET Bxp B 81  ? 105.608 4.514  32.042  1 101.862 ? 102 B 1 .
ATOM 4223 C CE   . MET Bxp B 81  ? 105.63  3.708  33.659  1 92.731  ? 102 B 1 .
ATOM 4224 H H    . MET Bxp B 81  ? 104.387 9.147  33.775  1 100.513 ? 102 B 1 c
ATOM 4225 H HA   . MET Bxp B 81  ? 106.857 8.351  34.038  1 90.731  ? 102 B 1 c
ATOM 4226 H HB3  . MET Bxp B 81  ? 104.794 7.183  32.466  1 92.835  ? 102 B 1 c
ATOM 4227 H HB2  . MET Bxp B 81  ? 105.333 6.663  33.86   1 92.579  ? 102 B 1 c
ATOM 4228 H HG3  . MET Bxp B 81  ? 107.297 5.89   32.818  1 93.907  ? 102 B 1 c
ATOM 4229 H HG2  . MET Bxp B 81  ? 106.762 6.413  31.418  1 93.762  ? 102 B 1 c
ATOM 4230 H HE3  . MET Bxp B 81  ? 105.223 4.297  34.32   1 94.919  ? 102 B 1 c
ATOM 4231 H HE2  . MET Bxp B 81  ? 106.551 3.52   33.915  1 94.919  ? 102 B 1 c
ATOM 4232 H HE1  . MET Bxp B 81  ? 105.128 2.874  33.613  1 94.919  ? 102 B 1 c
ATOM 4233 N N    . TRP Bxp B 82  ? 106.382 9.472  31.047  1 80.049  ? 103 B 1 .
ATOM 4234 C CA   . TRP Bxp B 82  ? 107.013 9.935  29.818  1 80.617  ? 103 B 1 .
ATOM 4235 C C    . TRP Bxp B 82  ? 107.588 11.334 30.013  1 80.791  ? 103 B 1 .
ATOM 4236 O O    . TRP Bxp B 82  ? 108.781 11.527 29.852  1 79.307  ? 103 B 1 .
ATOM 4237 C CB   . TRP Bxp B 82  ? 106.035 9.923  28.632  1 77.897  ? 103 B 1 .
ATOM 4238 C CG   . TRP Bxp B 82  ? 105.538 8.553  28.26   1 77.873  ? 103 B 1 .
ATOM 4239 C CD1  . TRP Bxp B 82  ? 104.379 7.957  28.655  1 85.756  ? 103 B 1 .
ATOM 4240 C CD2  . TRP Bxp B 82  ? 106.202 7.595  27.422  1 79.295  ? 103 B 1 .
ATOM 4241 N NE1  . TRP Bxp B 82  ? 104.27  6.703  28.122  1 85.852  ? 103 B 1 .
ATOM 4242 C CE2  . TRP Bxp B 82  ? 105.374 6.454  27.358  1 83.699  ? 103 B 1 .
ATOM 4243 C CE3  . TRP Bxp B 82  ? 107.413 7.587  26.734  1 87.947  ? 103 B 1 .
ATOM 4244 C CZ2  . TRP Bxp B 82  ? 105.715 5.326  26.619  1 86.466  ? 103 B 1 .
ATOM 4245 C CZ3  . TRP Bxp B 82  ? 107.753 6.465  26.011  1 97.257  ? 103 B 1 .
ATOM 4246 C CH2  . TRP Bxp B 82  ? 106.9   5.362  25.927  1 88.744  ? 103 B 1 .
ATOM 4247 H H    . TRP Bxp B 82  ? 105.48  9.592  31.134  1 79.975  ? 103 B 1 c
ATOM 4248 H HA   . TRP Bxp B 82  ? 107.762 9.317  29.602  1 80.019  ? 103 B 1 c
ATOM 4249 H HB3  . TRP Bxp B 82  ? 106.483 10.319 27.854  1 78.518  ? 103 B 1 c
ATOM 4250 H HB2  . TRP Bxp B 82  ? 105.266 10.489 28.856  1 78.547  ? 103 B 1 c
ATOM 4251 H HD1  . TRP Bxp B 82  ? 103.733 8.355  29.207  1 84.48   ? 103 B 1 c
ATOM 4252 H HE1  . TRP Bxp B 82  ? 103.602 6.159  28.243  1 85.323  ? 103 B 1 c
ATOM 4253 H HE3  . TRP Bxp B 82  ? 107.984 8.335  26.761  1 87.771  ? 103 B 1 c
ATOM 4254 H HZ2  . TRP Bxp B 82  ? 105.146 4.575  26.582  1 86.381  ? 103 B 1 c
ATOM 4255 H HZ3  . TRP Bxp B 82  ? 108.561 6.458  25.526  1 92.588  ? 103 B 1 c
ATOM 4256 H HH2  . TRP Bxp B 82  ? 107.17  4.607  25.438  1 89.513  ? 103 B 1 c
ATOM 4257 N N    . ARG Bxp B 83  ? 106.743 12.302 30.372  1 88.416  ? 104 B 1 .
ATOM 4258 C CA   . ARG Bxp B 83  ? 107.2   13.66  30.624  1 87.209  ? 104 B 1 .
ATOM 4259 C C    . ARG Bxp B 83  ? 108.511 13.677 31.407  1 82.774  ? 104 B 1 .
ATOM 4260 O O    . ARG Bxp B 83  ? 109.499 14.222 30.932  1 83.136  ? 104 B 1 .
ATOM 4261 C CB   . ARG Bxp B 83  ? 106.209 14.464 31.467  1 87.52   ? 104 B 1 .
ATOM 4262 C CG   . ARG Bxp B 83  ? 106.909 15.558 32.268  1 90.763  ? 104 B 1 .
ATOM 4263 C CD   . ARG Bxp B 83  ? 106.001 16.547 32.963  1 95.645  ? 104 B 1 .
ATOM 4264 N NE   . ARG Bxp B 83  ? 105.485 17.542 32.024  1 86.165  ? 104 B 1 .
ATOM 4265 C CZ   . ARG Bxp B 83  ? 104.298 17.462 31.443  1 89.757  ? 104 B 1 .
ATOM 4266 N NH1  . ARG Bxp B 83  ? 103.487 16.422 31.662  1 85.606  ? 104 B 1 .
ATOM 4267 N NH2  . ARG Bxp B 83  ? 103.943 18.432 30.619  1 96.677  ? 104 B 1 .
ATOM 4268 H H    . ARG Bxp B 83  ? 105.854 12.111 30.466  1 86.145  ? 104 B 1 c
ATOM 4269 H HA   . ARG Bxp B 83  ? 107.339 14.113 29.754  1 86.46   ? 104 B 1 c
ATOM 4270 H HB3  . ARG Bxp B 83  ? 105.743 13.861 32.083  1 88.317  ? 104 B 1 c
ATOM 4271 H HB2  . ARG Bxp B 83  ? 105.541 14.873 30.877  1 87.857  ? 104 B 1 c
ATOM 4272 H HG3  . ARG Bxp B 83  ? 107.503 16.057 31.666  1 91.044  ? 104 B 1 c
ATOM 4273 H HG2  . ARG Bxp B 83  ? 107.474 15.14  32.951  1 90.992  ? 104 B 1 c
ATOM 4274 H HD3  . ARG Bxp B 83  ? 106.502 17.001 33.671  1 92.203  ? 104 B 1 c
ATOM 4275 H HD2  . ARG Bxp B 83  ? 105.255 16.07  33.379  1 92.164  ? 104 B 1 c
ATOM 4276 H HE   . ARG Bxp B 83  ? 105.987 18.229 31.835  1 89.178  ? 104 B 1 c
ATOM 4277 H HH11 . ARG Bxp B 83  ? 103.386 15.807 31.036  1 86.97   ? 104 B 1 c
ATOM 4278 H HH12 . ARG Bxp B 83  ? 103.057 16.355 32.431  1 86.887  ? 104 B 1 c
ATOM 4279 H HH21 . ARG Bxp B 83  ? 104.061 19.275 30.857  1 94.492  ? 104 B 1 c
ATOM 4280 H HH22 . ARG Bxp B 83  ? 103.589 18.233 29.834  1 94.492  ? 104 B 1 c
ATOM 4281 N N    . THR Bxp B 84  ? 108.491 13.09  32.613  1 82.574  ? 105 B 1 .
ATOM 4282 C CA   . THR Bxp B 84  ? 109.614 13.128 33.546  1 85.851  ? 105 B 1 .
ATOM 4283 C C    . THR Bxp B 84  ? 110.895 12.578 32.912  1 80.452  ? 105 B 1 .
ATOM 4284 O O    . THR Bxp B 84  ? 111.98  12.908 33.382  1 70.132  ? 105 B 1 .
ATOM 4285 C CB   . THR Bxp B 84  ? 109.269 12.396 34.849  1 80.982  ? 105 B 1 .
ATOM 4286 O OG1  . THR Bxp B 84  ? 108.727 11.118 34.528  1 75.522  ? 105 B 1 .
ATOM 4287 C CG2  . THR Bxp B 84  ? 108.247 13.134 35.697  1 78.502  ? 105 B 1 .
ATOM 4288 H H    . THR Bxp B 84  ? 107.738 12.638 32.865  1 83.411  ? 105 B 1 c
ATOM 4289 H HA   . THR Bxp B 84  ? 109.774 14.07  33.77   1 83.29   ? 105 B 1 c
ATOM 4290 H HB   . THR Bxp B 84  ? 110.092 12.273 35.381  1 80.271  ? 105 B 1 c
ATOM 4291 H HG1  . THR Bxp B 84  ? 108.003 10.965 34.019  0 54.66   ? 105 B 1 c
ATOM 4292 H HG21 . THR Bxp B 84  ? 108.05  12.613 36.494  1 79.227  ? 105 B 1 c
ATOM 4293 H HG22 . THR Bxp B 84  ? 107.431 13.261 35.185  1 79.227  ? 105 B 1 c
ATOM 4294 H HG23 . THR Bxp B 84  ? 108.604 13.999 35.957  1 79.227  ? 105 B 1 c
ATOM 4295 N N    . GLY Bxp B 85  ? 110.77  11.75  31.862  1 78.702  ? 106 B 1 .
ATOM 4296 C CA   . GLY Bxp B 85  ? 111.922 11.184 31.169  1 78.895  ? 106 B 1 .
ATOM 4297 C C    . GLY Bxp B 85  ? 112.543 12.181 30.195  1 69.957  ? 106 B 1 .
ATOM 4298 O O    . GLY Bxp B 85  ? 113.74  12.437 30.219  1 66.93   ? 106 B 1 .
ATOM 4299 H H    . GLY Bxp B 85  ? 109.936 11.507 31.583  1 79.257  ? 106 B 1 c
ATOM 4300 H HA3  . GLY Bxp B 85  ? 111.636 10.379 30.677  1 76.758  ? 106 B 1 c
ATOM 4301 H HA2  . GLY Bxp B 85  ? 112.597 10.909 31.834  1 76.744  ? 106 B 1 c
ATOM 4302 N N    . ILE Bxp B 86  ? 111.688 12.741 29.35   1 64.039  ? 107 B 1 .
ATOM 4303 C CA   . ILE Bxp B 86  ? 112.06  13.765 28.397  1 65.566  ? 107 B 1 .
ATOM 4304 C C    . ILE Bxp B 86  ? 112.673 14.939 29.157  1 69.098  ? 107 B 1 .
ATOM 4305 O O    . ILE Bxp B 86  ? 113.644 15.537 28.704  1 67.714  ? 107 B 1 .
ATOM 4306 C CB   . ILE Bxp B 86  ? 110.817 14.178 27.58   1 67.182  ? 107 B 1 .
ATOM 4307 C CG1  . ILE Bxp B 86  ? 110.209 12.975 26.844  1 60.475  ? 107 B 1 .
ATOM 4308 C CG2  . ILE Bxp B 86  ? 111.132 15.331 26.625  1 72.246  ? 107 B 1 .
ATOM 4309 C CD1  . ILE Bxp B 86  ? 108.931 13.28  26.089  1 62.733  ? 107 B 1 .
ATOM 4310 H H    . ILE Bxp B 86  ? 110.813 12.479 29.384  1 65.852  ? 107 B 1 c
ATOM 4311 H HA   . ILE Bxp B 86  ? 112.729 13.398 27.788  1 66.189  ? 107 B 1 c
ATOM 4312 H HB   . ILE Bxp B 86  ? 110.146 14.498 28.215  1 66.476  ? 107 B 1 c
ATOM 4313 H HG12 . ILE Bxp B 86  ? 110.022 12.267 27.494  1 62.49   ? 107 B 1 c
ATOM 4314 H HG13 . ILE Bxp B 86  ? 110.87  12.629 26.211  1 62.462  ? 107 B 1 c
ATOM 4315 H HG21 . ILE Bxp B 86  ? 110.481 15.35  25.905  1 70.531  ? 107 B 1 c
ATOM 4316 H HG22 . ILE Bxp B 86  ? 112.021 15.21  26.251  1 70.609  ? 107 B 1 c
ATOM 4317 H HG23 . ILE Bxp B 86  ? 111.099 16.173 27.109  1 70.656  ? 107 B 1 c
ATOM 4318 H HD11 . ILE Bxp B 86  ? 108.47  14.028 26.515  1 62.098  ? 107 B 1 c
ATOM 4319 H HD12 . ILE Bxp B 86  ? 108.351 12.495 26.098  1 62.076  ? 107 B 1 c
ATOM 4320 H HD13 . ILE Bxp B 86  ? 109.145 13.514 25.166  1 62.118  ? 107 B 1 c
ATOM 4321 N N    . ASN Bxp B 87  ? 112.09  15.249 30.322  1 70.559  ? 108 B 1 .
ATOM 4322 C CA   . ASN Bxp B 87  ? 112.493 16.387 31.121  1 63.221  ? 108 B 1 .
ATOM 4323 C C    . ASN Bxp B 87  ? 113.93  16.198 31.58   1 64.239  ? 108 B 1 .
ATOM 4324 O O    . ASN Bxp B 87  ? 114.618 17.177 31.857  1 61.573  ? 108 B 1 .
ATOM 4325 C CB   . ASN Bxp B 87  ? 111.562 16.576 32.304  1 59.539  ? 108 B 1 .
ATOM 4326 C CG   . ASN Bxp B 87  ? 111.891 17.83  33.059  1 62.513  ? 108 B 1 .
ATOM 4327 O OD1  . ASN Bxp B 87  ? 111.91  18.908 32.454  1 59.564  ? 108 B 1 .
ATOM 4328 N ND2  . ASN Bxp B 87  ? 112.156 17.704 34.354  1 64.111  ? 108 B 1 .
ATOM 4329 H H    . ASN Bxp B 87  ? 111.399 14.732 30.623  1 68.364  ? 108 B 1 c
ATOM 4330 H HA   . ASN Bxp B 87  ? 112.439 17.194 30.562  1 64.063  ? 108 B 1 c
ATOM 4331 H HB3  . ASN Bxp B 87  ? 111.639 15.807 32.904  1 61.057  ? 108 B 1 c
ATOM 4332 H HB2  . ASN Bxp B 87  ? 110.638 16.624 31.986  1 61.042  ? 108 B 1 c
ATOM 4333 H HD21 . ASN Bxp B 87  ? 111.747 18.227 34.942  1 63.615  ? 108 B 1 c
ATOM 4334 H HD22 . ASN Bxp B 87  ? 112.74  17.096 34.628  1 63.615  ? 108 B 1 c
ATOM 4335 N N    . VAL Bxp B 88  ? 114.378 14.939 31.672  1 65.755  ? 109 B 1 .
ATOM 4336 C CA   . VAL Bxp B 88  ? 115.776 14.676 31.975  1 63.191  ? 109 B 1 .
ATOM 4337 C C    . VAL Bxp B 88  ? 116.593 15.49  30.978  1 60.754  ? 109 B 1 .
ATOM 4338 O O    . VAL Bxp B 88  ? 117.314 16.417 31.339  1 52.428  ? 109 B 1 .
ATOM 4339 C CB   . VAL Bxp B 88  ? 116.204 13.2   31.9    1 60.536  ? 109 B 1 .
ATOM 4340 C CG1  . VAL Bxp B 88  ? 117.691 13.08  32.149  1 63.477  ? 109 B 1 .
ATOM 4341 C CG2  . VAL Bxp B 88  ? 115.44  12.285 32.843  1 56.734  ? 109 B 1 .
ATOM 4342 H H    . VAL Bxp B 88  ? 113.804 14.236 31.568  1 64.786  ? 109 B 1 c
ATOM 4343 H HA   . VAL Bxp B 88  ? 115.963 15.009 32.874  1 62.729  ? 109 B 1 c
ATOM 4344 H HB   . VAL Bxp B 88  ? 116.033 12.891 30.981  1 61.017  ? 109 B 1 c
ATOM 4345 H HG11 . VAL Bxp B 88  ? 117.95  13.673 32.875  1 62.608  ? 109 B 1 c
ATOM 4346 H HG12 . VAL Bxp B 88  ? 118.178 13.322 31.344  1 62.597  ? 109 B 1 c
ATOM 4347 H HG13 . VAL Bxp B 88  ? 117.906 12.163 32.389  1 62.654  ? 109 B 1 c
ATOM 4348 H HG21 . VAL Bxp B 88  ? 115.621 11.358 32.613  1 57.879  ? 109 B 1 c
ATOM 4349 H HG22 . VAL Bxp B 88  ? 114.488 12.457 32.765  1 58.027  ? 109 B 1 c
ATOM 4350 H HG23 . VAL Bxp B 88  ? 115.724 12.452 33.757  1 57.879  ? 109 B 1 c
ATOM 4351 N N    . PHE Bxp B 89  ? 116.364 15.154 29.709  1 65.369  ? 110 B 1 .
ATOM 4352 C CA   . PHE Bxp B 89  ? 117.044 15.751 28.583  1 65.508  ? 110 B 1 .
ATOM 4353 C C    . PHE Bxp B 89  ? 116.821 17.26  28.613  1 63.769  ? 110 B 1 .
ATOM 4354 O O    . PHE Bxp B 89  ? 117.766 18.03  28.477  1 61.098  ? 110 B 1 .
ATOM 4355 C CB   . PHE Bxp B 89  ? 116.524 15.022 27.346  1 71.665  ? 110 B 1 .
ATOM 4356 C CG   . PHE Bxp B 89  ? 116.841 13.531 27.337  1 87.173  ? 110 B 1 .
ATOM 4357 C CD1  . PHE Bxp B 89  ? 116.103 12.647 28.113  1 92.203  ? 110 B 1 .
ATOM 4358 C CD2  . PHE Bxp B 89  ? 117.87  13.015 26.56   1 90.214  ? 110 B 1 .
ATOM 4359 C CE1  . PHE Bxp B 89  ? 116.382 11.293 28.108  1 78.727  ? 110 B 1 .
ATOM 4360 C CE2  . PHE Bxp B 89  ? 118.152 11.658 26.571  1 84.937  ? 110 B 1 .
ATOM 4361 C CZ   . PHE Bxp B 89  ? 117.4   10.803 27.34   1 72.102  ? 110 B 1 .
ATOM 4362 H H    . PHE Bxp B 89  ? 115.698 14.553 29.54   1 64.82   ? 110 B 1 c
ATOM 4363 H HA   . PHE Bxp B 89  ? 118.017 15.571 28.672  1 66.236  ? 110 B 1 c
ATOM 4364 H HB3  . PHE Bxp B 89  ? 116.923 15.436 26.548  1 73.486  ? 110 B 1 c
ATOM 4365 H HB2  . PHE Bxp B 89  ? 115.551 15.142 27.292  1 73.34   ? 110 B 1 c
ATOM 4366 H HD1  . PHE Bxp B 89  ? 115.392 12.972 28.637  1 86.834  ? 110 B 1 c
ATOM 4367 H HD2  . PHE Bxp B 89  ? 118.392 13.598 26.031  1 87.961  ? 110 B 1 c
ATOM 4368 H HE1  . PHE Bxp B 89  ? 115.867 10.707 28.639  1 80.194  ? 110 B 1 c
ATOM 4369 H HE2  . PHE Bxp B 89  ? 118.852 11.323 26.042  1 82.401  ? 110 B 1 c
ATOM 4370 H HZ   . PHE Bxp B 89  ? 117.591 9.878  27.344  1 76.717  ? 110 B 1 c
ATOM 4371 N N    . PHE Bxp B 90  ? 115.579 17.697 28.815  1 65.21   ? 111 B 1 .
ATOM 4372 C CA   . PHE Bxp B 90  ? 115.321 19.126 28.828  1 61.715  ? 111 B 1 .
ATOM 4373 C C    . PHE Bxp B 90  ? 116.159 19.741 29.935  1 52.466  ? 111 B 1 .
ATOM 4374 O O    . PHE Bxp B 90  ? 117.061 20.514 29.671  1 49.716  ? 111 B 1 .
ATOM 4375 C CB   . PHE Bxp B 90  ? 113.845 19.469 29.033  1 71.155  ? 111 B 1 .
ATOM 4376 C CG   . PHE Bxp B 90  ? 113.538 20.96  29.107  1 76.909  ? 111 B 1 .
ATOM 4377 C CD1  . PHE Bxp B 90  ? 114.43  21.895 28.625  1 76.97   ? 111 B 1 .
ATOM 4378 C CD2  . PHE Bxp B 90  ? 112.333 21.427 29.621  1 86.626  ? 111 B 1 .
ATOM 4379 C CE1  . PHE Bxp B 90  ? 114.132 23.243 28.661  1 74.205  ? 111 B 1 .
ATOM 4380 C CE2  . PHE Bxp B 90  ? 112.038 22.781 29.648  1 78.461  ? 111 B 1 .
ATOM 4381 C CZ   . PHE Bxp B 90  ? 112.947 23.685 29.178  1 72.717  ? 111 B 1 .
ATOM 4382 H H    . PHE Bxp B 90  ? 114.889 17.111 28.939  1 64.128  ? 111 B 1 c
ATOM 4383 H HA   . PHE Bxp B 90  ? 115.616 19.503 27.957  1 62.21   ? 111 B 1 c
ATOM 4384 H HB3  . PHE Bxp B 90  ? 113.537 19.042 29.862  1 69.908  ? 111 B 1 c
ATOM 4385 H HB2  . PHE Bxp B 90  ? 113.331 19.079 28.291  1 70.073  ? 111 B 1 c
ATOM 4386 H HD1  . PHE Bxp B 90  ? 115.248 21.613 28.259  1 75.692  ? 111 B 1 c
ATOM 4387 H HD2  . PHE Bxp B 90  ? 111.704 20.809 29.949  1 81.758  ? 111 B 1 c
ATOM 4388 H HE1  . PHE Bxp B 90  ? 114.759 23.868 28.337  1 74.625  ? 111 B 1 c
ATOM 4389 H HE2  . PHE Bxp B 90  ? 111.221 23.078 30.015  1 78.774  ? 111 B 1 c
ATOM 4390 H HZ   . PHE Bxp B 90  ? 112.756 24.609 29.207  1 74.488  ? 111 B 1 c
ATOM 4391 N N    . GLU Bxp B 91  ? 115.859 19.333 31.162  1 57.454  ? 112 B 1 .
ATOM 4392 C CA   . GLU Bxp B 91  ? 116.509 19.829 32.366  1 68.143  ? 112 B 1 .
ATOM 4393 C C    . GLU Bxp B 91  ? 118.028 19.819 32.173  1 72.189  ? 112 B 1 .
ATOM 4394 O O    . GLU Bxp B 91  ? 118.681 20.856 32.349  1 70.253  ? 112 B 1 .
ATOM 4395 C CB   . GLU Bxp B 91  ? 116.033 18.975 33.552  1 72.682  ? 112 B 1 .
ATOM 4396 C CG   . GLU Bxp B 91  ? 115.819 19.732 34.862  1 77.736  ? 112 B 1 .
ATOM 4397 C CD   . GLU Bxp B 91  ? 114.485 19.419 35.537  1 84.421  ? 112 B 1 .
ATOM 4398 O OE1  . GLU Bxp B 91  ? 113.442 19.646 34.901  1 89.151  ? 112 B 1 .
ATOM 4399 O OE2  . GLU Bxp B 91  ? 114.453 18.979 36.699  1 94.444  ? 112 B 1 .
ATOM 4400 H H    . GLU Bxp B 91  ? 115.212 18.695 31.257  1 58.901  ? 112 B 1 c
ATOM 4401 H HA   . GLU Bxp B 91  ? 116.218 20.765 32.508  1 67.462  ? 112 B 1 c
ATOM 4402 H HB3  . GLU Bxp B 91  ? 116.684 18.26  33.707  1 72.68   ? 112 B 1 c
ATOM 4403 H HB2  . GLU Bxp B 91  ? 115.183 18.555 33.318  1 72.553  ? 112 B 1 c
ATOM 4404 H HG3  . GLU Bxp B 91  ? 115.863 20.696 34.69   1 77.873  ? 112 B 1 c
ATOM 4405 H HG2  . GLU Bxp B 91  ? 116.544 19.507 35.484  1 77.988  ? 112 B 1 c
ATOM 4406 N N    . THR Bxp B 92  ? 118.565 18.638 31.808  1 69.003  ? 113 B 1 .
ATOM 4407 C CA   . THR Bxp B 92  ? 120.004 18.402 31.745  1 64.697  ? 113 B 1 .
ATOM 4408 C C    . THR Bxp B 92  ? 120.654 19.313 30.711  1 68.439  ? 113 B 1 .
ATOM 4409 O O    . THR Bxp B 92  ? 121.216 20.341 31.072  1 71.595  ? 113 B 1 .
ATOM 4410 C CB   . THR Bxp B 92  ? 120.337 16.953 31.392  1 64.203  ? 113 B 1 .
ATOM 4411 O OG1  . THR Bxp B 92  ? 119.703 16.054 32.295  1 61.667  ? 113 B 1 .
ATOM 4412 C CG2  . THR Bxp B 92  ? 121.838 16.728 31.401  1 65.255  ? 113 B 1 .
ATOM 4413 H H    . THR Bxp B 92  ? 118.004 17.95  31.592  1 68.586  ? 113 B 1 c
ATOM 4414 H HA   . THR Bxp B 92  ? 120.387 18.604 32.626  1 66.094  ? 113 B 1 c
ATOM 4415 H HB   . THR Bxp B 92  ? 120.006 16.754 30.484  1 64.077  ? 113 B 1 c
ATOM 4416 H HG1  . THR Bxp B 92  ? 120.06  16.179 33.137  0 45.74   ? 113 B 1 c
ATOM 4417 H HG21 . THR Bxp B 92  ? 122.025 15.799 31.616  1 64.929  ? 113 B 1 c
ATOM 4418 H HG22 . THR Bxp B 92  ? 122.251 17.303 32.067  1 64.963  ? 113 B 1 c
ATOM 4419 H HG23 . THR Bxp B 92  ? 122.203 16.935 30.524  1 64.958  ? 113 B 1 c
ATOM 4420 N N    . PHE Bxp B 93  ? 120.577 18.912 29.431  1 72.006  ? 114 B 1 .
ATOM 4421 C CA   . PHE Bxp B 93  ? 121.181 19.648 28.329  1 69.158  ? 114 B 1 .
ATOM 4422 C C    . PHE Bxp B 93  ? 120.781 21.109 28.375  1 65.843  ? 114 B 1 .
ATOM 4423 O O    . PHE Bxp B 93  ? 121.58  21.964 28.006  1 54.448  ? 114 B 1 .
ATOM 4424 C CB   . PHE Bxp B 93  ? 120.778 19.069 26.975  1 63.416  ? 114 B 1 .
ATOM 4425 C CG   . PHE Bxp B 93  ? 121.453 17.724 26.806  1 61.285  ? 114 B 1 .
ATOM 4426 C CD1  . PHE Bxp B 93  ? 122.762 17.648 26.352  1 58.019  ? 114 B 1 .
ATOM 4427 C CD2  . PHE Bxp B 93  ? 120.815 16.557 27.205  1 60.171  ? 114 B 1 .
ATOM 4428 C CE1  . PHE Bxp B 93  ? 123.391 16.426 26.244  1 60.031  ? 114 B 1 .
ATOM 4429 C CE2  . PHE Bxp B 93  ? 121.443 15.331 27.078  1 60.797  ? 114 B 1 .
ATOM 4430 C CZ   . PHE Bxp B 93  ? 122.729 15.266 26.6    1 62.975  ? 114 B 1 .
ATOM 4431 H H    . PHE Bxp B 93  ? 120.09  18.166 29.233  1 70.094  ? 114 B 1 c
ATOM 4432 H HA   . PHE Bxp B 93  ? 122.17  19.588 28.417  1 67.907  ? 114 B 1 c
ATOM 4433 H HB3  . PHE Bxp B 93  ? 121.067 19.678 26.259  1 64.176  ? 114 B 1 c
ATOM 4434 H HB2  . PHE Bxp B 93  ? 119.802 18.959 26.944  1 64.157  ? 114 B 1 c
ATOM 4435 H HD1  . PHE Bxp B 93  ? 123.217 18.436 26.103  1 59.296  ? 114 B 1 c
ATOM 4436 H HD2  . PHE Bxp B 93  ? 119.928 16.598 27.524  1 60.659  ? 114 B 1 c
ATOM 4437 H HE1  . PHE Bxp B 93  ? 124.272 16.38  25.908  1 60.242  ? 114 B 1 c
ATOM 4438 H HE2  . PHE Bxp B 93  ? 120.991 14.541 27.327  1 61.137  ? 114 B 1 c
ATOM 4439 H HZ   . PHE Bxp B 93  ? 123.162 14.431 26.519  1 61.73   ? 114 B 1 c
ATOM 4440 N N    . GLY Bxp B 94  ? 119.551 21.345 28.844  1 70.291  ? 115 B 1 .
ATOM 4441 C CA   . GLY Bxp B 94  ? 119.056 22.69  29.043  1 69.682  ? 115 B 1 .
ATOM 4442 C C    . GLY Bxp B 94  ? 119.958 23.471 29.989  1 70.163  ? 115 B 1 .
ATOM 4443 O O    . GLY Bxp B 94  ? 119.97  24.689 29.93   1 77.948  ? 115 B 1 .
ATOM 4444 H H    . GLY Bxp B 94  ? 118.993 20.643 29.023  1 69.088  ? 115 B 1 c
ATOM 4445 H HA3  . GLY Bxp B 94  ? 118.144 22.652 29.412  1 69.791  ? 115 B 1 c
ATOM 4446 H HA2  . GLY Bxp B 94  ? 119.015 23.151 28.174  1 69.959  ? 115 B 1 c
ATOM 4447 N N    . SER Bxp B 95  ? 120.734 22.779 30.828  1 72.428  ? 116 B 1 .
ATOM 4448 C CA   . SER Bxp B 95  ? 121.633 23.434 31.762  1 70.459  ? 116 B 1 .
ATOM 4449 C C    . SER Bxp B 95  ? 122.95  23.789 31.084  1 70.415  ? 116 B 1 .
ATOM 4450 O O    . SER Bxp B 95  ? 123.529 24.825 31.374  1 75.326  ? 116 B 1 .
ATOM 4451 C CB   . SER Bxp B 95  ? 121.879 22.581 32.972  1 75.552  ? 116 B 1 .
ATOM 4452 O OG   . SER Bxp B 95  ? 120.657 22.151 33.557  1 77.817  ? 116 B 1 .
ATOM 4453 H H    . SER Bxp B 95  ? 120.684 21.867 30.839  1 71.384  ? 116 B 1 c
ATOM 4454 H HA   . SER Bxp B 95  ? 121.205 24.276 32.062  1 71.782  ? 116 B 1 c
ATOM 4455 H HB3  . SER Bxp B 95  ? 122.389 23.094 33.627  1 74.874  ? 116 B 1 c
ATOM 4456 H HB2  . SER Bxp B 95  ? 122.41  21.803 32.717  1 74.84   ? 116 B 1 c
ATOM 4457 H HG   . SER Bxp B 95  ? 120.643 21.691 34.243  0 60      ? 116 B 1 c
ATOM 4458 N N    . HIS Bxp B 96  ? 123.412 22.927 30.175  1 77.961  ? 117 B 1 .
ATOM 4459 C CA   . HIS Bxp B 96  ? 124.716 23.083 29.558  1 82.487  ? 117 B 1 .
ATOM 4460 C C    . HIS Bxp B 96  ? 124.563 23.454 28.091  1 70.636  ? 117 B 1 .
ATOM 4461 O O    . HIS Bxp B 96  ? 125.183 22.842 27.237  1 72.118  ? 117 B 1 .
ATOM 4462 C CB   . HIS Bxp B 96  ? 125.488 21.769 29.699  1 88.195  ? 117 B 1 .
ATOM 4463 C CG   . HIS Bxp B 96  ? 125.511 21.263 31.097  1 78.234  ? 117 B 1 .
ATOM 4464 N ND1  . HIS Bxp B 96  ? 125.96  22.001 32.17   1 80.17   ? 117 B 1 .
ATOM 4465 C CD2  . HIS Bxp B 96  ? 125.157 20.083 31.572  1 75.634  ? 117 B 1 .
ATOM 4466 C CE1  . HIS Bxp B 96  ? 125.855 21.28  33.264  1 90.509  ? 117 B 1 .
ATOM 4467 N NE2  . HIS Bxp B 96  ? 125.373 20.109 32.92   1 89.801  ? 117 B 1 .
ATOM 4468 H H    . HIS Bxp B 96  ? 122.901 22.208 29.938  1 76.925  ? 117 B 1 c
ATOM 4469 H HA   . HIS Bxp B 96  ? 125.213 23.805 30.015  1 80.161  ? 117 B 1 c
ATOM 4470 H HB3  . HIS Bxp B 96  ? 126.411 21.909 29.393  1 84.278  ? 117 B 1 c
ATOM 4471 H HB2  . HIS Bxp B 96  ? 125.071 21.092 29.121  1 84.291  ? 117 B 1 c
ATOM 4472 H HD1  . HIS Bxp B 96  ? 126.364 22.757 32.141  0 60      ? 117 B 1 c
ATOM 4473 H HD2  . HIS Bxp B 96  ? 124.812 19.361 31.085  1 79.127  ? 117 B 1 c
ATOM 4474 H HE1  . HIS Bxp B 96  ? 126.092 21.549 34.135  1 87.7    ? 117 B 1 c
ATOM 4475 H HE2  . HIS Bxp B 96  ? 125.158 19.397 33.463  0 60      ? 117 B 1 c
ATOM 4476 N N    . LYS Bxp B 97  ? 123.733 24.452 27.812  1 72.055  ? 118 B 1 .
ATOM 4477 C CA   . LYS Bxp B 97  ? 123.436 24.825 26.441  1 79.293  ? 118 B 1 .
ATOM 4478 C C    . LYS Bxp B 97  ? 124.736 25.034 25.669  1 83.847  ? 118 B 1 .
ATOM 4479 O O    . LYS Bxp B 97  ? 124.883 24.517 24.557  1 86.302  ? 118 B 1 .
ATOM 4480 C CB   . LYS Bxp B 97  ? 122.616 26.117 26.377  1 90.697  ? 118 B 1 .
ATOM 4481 C CG   . LYS Bxp B 97  ? 121.16  26.084 26.826  1 83.805  ? 118 B 1 .
ATOM 4482 C CD   . LYS Bxp B 97  ? 120.427 27.351 26.388  1 84.799  ? 118 B 1 .
ATOM 4483 C CE   . LYS Bxp B 97  ? 118.973 27.433 26.726  1 88.252  ? 118 B 1 .
ATOM 4484 N NZ   . LYS Bxp B 97  ? 118.732 27.481 28.166  1 100.855 ? 118 B 1 .
ATOM 4485 H H    . LYS Bxp B 97  ? 123.342 24.921 28.492  1 73.456  ? 118 B 1 c
ATOM 4486 H HA   . LYS Bxp B 97  ? 122.924 24.09  26.018  1 80.551  ? 118 B 1 c
ATOM 4487 H HB3  . LYS Bxp B 97  ? 122.634 26.435 25.449  1 86.388  ? 118 B 1 c
ATOM 4488 H HB2  . LYS Bxp B 97  ? 123.079 26.79  26.92   1 86.374  ? 118 B 1 c
ATOM 4489 H HG3  . LYS Bxp B 97  ? 121.127 26.007 27.804  1 85.555  ? 118 B 1 c
ATOM 4490 H HG2  . LYS Bxp B 97  ? 120.72  25.298 26.434  1 85.555  ? 118 B 1 c
ATOM 4491 H HD3  . LYS Bxp B 97  ? 120.524 27.438 25.415  1 85.324  ? 118 B 1 c
ATOM 4492 H HD2  . LYS Bxp B 97  ? 120.884 28.122 26.788  1 85.424  ? 118 B 1 c
ATOM 4493 H HE3  . LYS Bxp B 97  ? 118.514 26.658 26.356  1 90.264  ? 118 B 1 c
ATOM 4494 H HE2  . LYS Bxp B 97  ? 118.593 28.231 26.317  1 90.264  ? 118 B 1 c
ATOM 4495 H HZ1  . LYS Bxp B 97  ? 119.442 27.849 28.592  1 96.612  ? 118 B 1 c
ATOM 4496 H HZ2  . LYS Bxp B 97  ? 118.598 26.643 28.482  1 96.738  ? 118 B 1 c
ATOM 4497 H HZ3  . LYS Bxp B 97  ? 117.997 27.982 28.335  1 96.686  ? 118 B 1 c
ATOM 4498 N N    . ALA Bxp B 98  ? 125.674 25.773 26.286  1 84.337  ? 119 B 1 .
ATOM 4499 C CA   . ALA Bxp B 98  ? 126.982 26.03  25.699  1 77.354  ? 119 B 1 .
ATOM 4500 C C    . ALA Bxp B 98  ? 127.575 24.74  25.148  1 72.531  ? 119 B 1 .
ATOM 4501 O O    . ALA Bxp B 98  ? 127.942 24.624 23.981  1 63.096  ? 119 B 1 .
ATOM 4502 C CB   . ALA Bxp B 98  ? 127.91  26.607 26.735  1 78.839  ? 119 B 1 .
ATOM 4503 H H    . ALA Bxp B 98  ? 125.484 26.137 27.102  1 82.468  ? 119 B 1 c
ATOM 4504 H HA   . ALA Bxp B 98  ? 126.874 26.678 24.949  1 78.011  ? 119 B 1 c
ATOM 4505 H HB3  . ALA Bxp B 98  ? 128.813 26.654 26.376  1 78.336  ? 119 B 1 c
ATOM 4506 H HB2  . ALA Bxp B 98  ? 127.909 26.042 27.526  1 78.29   ? 119 B 1 c
ATOM 4507 H HB1  . ALA Bxp B 98  ? 127.614 27.5   26.978  1 78.363  ? 119 B 1 c
ATOM 4508 N N    . VAL Bxp B 99  ? 127.682 23.755 26.027  1 71.448  ? 120 B 1 .
ATOM 4509 C CA   . VAL Bxp B 99  ? 128.309 22.52  25.626  1 64.787  ? 120 B 1 .
ATOM 4510 C C    . VAL Bxp B 99  ? 127.473 21.85  24.549  1 56.734  ? 120 B 1 .
ATOM 4511 O O    . VAL Bxp B 99  ? 128.008 21.194 23.661  1 67.075  ? 120 B 1 .
ATOM 4512 C CB   . VAL Bxp B 99  ? 128.533 21.631 26.857  1 70.24   ? 120 B 1 .
ATOM 4513 C CG1  . VAL Bxp B 99  ? 128.802 20.179 26.48   1 74.719  ? 120 B 1 .
ATOM 4514 C CG2  . VAL Bxp B 99  ? 129.68  22.188 27.688  1 69.658  ? 120 B 1 .
ATOM 4515 H H    . VAL Bxp B 99  ? 127.363 23.848 26.879  1 70.364  ? 120 B 1 c
ATOM 4516 H HA   . VAL Bxp B 99  ? 129.182 22.734 25.244  1 65.409  ? 120 B 1 c
ATOM 4517 H HB   . VAL Bxp B 99  ? 127.711 21.662 27.4    1 69.969  ? 120 B 1 c
ATOM 4518 H HG11 . VAL Bxp B 99  ? 129.397 20.146 25.712  1 73.215  ? 120 B 1 c
ATOM 4519 H HG12 . VAL Bxp B 99  ? 127.964 19.738 26.26   1 73.238  ? 120 B 1 c
ATOM 4520 H HG13 . VAL Bxp B 99  ? 129.218 19.721 27.23   1 73.294  ? 120 B 1 c
ATOM 4521 H HG21 . VAL Bxp B 99  ? 129.534 21.976 28.625  1 69.842  ? 120 B 1 c
ATOM 4522 H HG22 . VAL Bxp B 99  ? 129.726 23.152 27.577  1 69.825  ? 120 B 1 c
ATOM 4523 H HG23 . VAL Bxp B 99  ? 130.518 21.79  27.395  1 69.857  ? 120 B 1 c
ATOM 4524 N N    . THR Bxp B 100 ? 126.158 21.972 24.643  1 54.235  ? 121 B 1 .
ATOM 4525 C CA   . THR Bxp B 100 ? 125.33  21.309 23.653  1 61.267  ? 121 B 1 .
ATOM 4526 C C    . THR Bxp B 100 ? 125.608 21.944 22.291  1 63.792  ? 121 B 1 .
ATOM 4527 O O    . THR Bxp B 100 ? 125.984 21.249 21.342  1 58.338  ? 121 B 1 .
ATOM 4528 C CB   . THR Bxp B 100 ? 123.853 21.378 24.035  1 64.441  ? 121 B 1 .
ATOM 4529 O OG1  . THR Bxp B 100 ? 123.72  21.122 25.43   1 68.019  ? 121 B 1 .
ATOM 4530 C CG2  . THR Bxp B 100 ? 123.042 20.36  23.264  1 63.918  ? 121 B 1 .
ATOM 4531 H H    . THR Bxp B 100 ? 125.77  22.446 25.321  1 56.733  ? 121 B 1 c
ATOM 4532 H HA   . THR Bxp B 100 ? 125.593 20.363 23.617  1 60.878  ? 121 B 1 c
ATOM 4533 H HB   . THR Bxp B 100 ? 123.504 22.28  23.838  1 64.452  ? 121 B 1 c
ATOM 4534 H HG1  . THR Bxp B 100 ? 123.906 20.394 25.597  0 50.14   ? 121 B 1 c
ATOM 4535 H HG21 . THR Bxp B 100 ? 122.125 20.365 23.586  1 64.067  ? 121 B 1 c
ATOM 4536 H HG22 . THR Bxp B 100 ? 123.424 19.476 23.39   1 64.05   ? 121 B 1 c
ATOM 4537 H HG23 . THR Bxp B 100 ? 123.053 20.585 22.318  1 64.066  ? 121 B 1 c
ATOM 4538 N N    . ARG Bxp B 101 ? 125.447 23.276 22.23   1 67.144  ? 122 B 1 .
ATOM 4539 C CA   . ARG Bxp B 101 ? 125.691 24.028 21.014  1 65.215  ? 122 B 1 .
ATOM 4540 C C    . ARG Bxp B 101 ? 127.085 23.697 20.504  1 62.156  ? 122 B 1 .
ATOM 4541 O O    . ARG Bxp B 101 ? 127.315 23.622 19.305  1 75.673  ? 122 B 1 .
ATOM 4542 C CB   . ARG Bxp B 101 ? 125.589 25.542 21.223  1 73.12   ? 122 B 1 .
ATOM 4543 C CG   . ARG Bxp B 101 ? 124.184 26.096 21.401  1 85.544  ? 122 B 1 .
ATOM 4544 C CD   . ARG Bxp B 101 ? 124.122 27.622 21.194  1 90.797  ? 122 B 1 .
ATOM 4545 N NE   . ARG Bxp B 101 ? 124.846 28.341 22.253  1 99.686  ? 122 B 1 .
ATOM 4546 C CZ   . ARG Bxp B 101 ? 124.32  28.827 23.387  1 97.855  ? 122 B 1 .
ATOM 4547 N NH1  . ARG Bxp B 101 ? 123.017 28.747 23.585  1 92.628  ? 122 B 1 .
ATOM 4548 N NH2  . ARG Bxp B 101 ? 125.091 29.371 24.326  1 86.064  ? 122 B 1 .
ATOM 4549 H H    . ARG Bxp B 101 ? 125.172 23.727 22.976  1 65.808  ? 122 B 1 c
ATOM 4550 H HA   . ARG Bxp B 101 ? 125.029 23.75  20.334  1 66.389  ? 122 B 1 c
ATOM 4551 H HB3  . ARG Bxp B 101 ? 126.001 25.988 20.452  1 73.966  ? 122 B 1 c
ATOM 4552 H HB2  . ARG Bxp B 101 ? 126.117 25.779 22.015  1 73.873  ? 122 B 1 c
ATOM 4553 H HG3  . ARG Bxp B 101 ? 123.866 25.883 22.306  1 83.639  ? 122 B 1 c
ATOM 4554 H HG2  . ARG Bxp B 101 ? 123.582 25.662 20.759  1 83.639  ? 122 B 1 c
ATOM 4555 H HD3  . ARG Bxp B 101 ? 123.188 27.912 21.185  1 91.4    ? 122 B 1 c
ATOM 4556 H HD2  . ARG Bxp B 101 ? 124.515 27.846 20.326  1 91.442  ? 122 B 1 c
ATOM 4557 H HE   . ARG Bxp B 101 ? 125.7   28.465 22.136  1 97.042  ? 122 B 1 c
ATOM 4558 H HH11 . ARG Bxp B 101 ? 122.626 27.955 23.625  1 94.122  ? 122 B 1 c
ATOM 4559 H HH12 . ARG Bxp B 101 ? 122.541 29.486 23.677  1 94.186  ? 122 B 1 c
ATOM 4560 H HH21 . ARG Bxp B 101 ? 125.91  29.064 24.454  1 89.534  ? 122 B 1 c
ATOM 4561 H HH22 . ARG Bxp B 101 ? 124.781 30.037 24.817  1 89.534  ? 122 B 1 c
ATOM 4562 N N    . ALA Bxp B 102 ? 128.019 23.53  21.431  1 57.027  ? 123 B 1 .
ATOM 4563 C CA   . ALA Bxp B 102 ? 129.407 23.35  21.067  1 60.905  ? 123 B 1 .
ATOM 4564 C C    . ALA Bxp B 102 ? 129.615 21.963 20.475  1 64.527  ? 123 B 1 .
ATOM 4565 O O    . ALA Bxp B 102 ? 130.3   21.811 19.468  1 60.472  ? 123 B 1 .
ATOM 4566 C CB   . ALA Bxp B 102 ? 130.255 23.568 22.298  1 63.572  ? 123 B 1 .
ATOM 4567 H H    . ALA Bxp B 102 ? 127.793 23.553 22.316  1 59.248  ? 123 B 1 c
ATOM 4568 H HA   . ALA Bxp B 102 ? 129.646 24.029 20.377  1 61.318  ? 123 B 1 c
ATOM 4569 H HB3  . ALA Bxp B 102 ? 131.182 23.355 22.097  1 62.775  ? 123 B 1 c
ATOM 4570 H HB2  . ALA Bxp B 102 ? 129.943 22.994 23.017  1 62.779  ? 123 B 1 c
ATOM 4571 H HB1  . ALA Bxp B 102 ? 130.192 24.497 22.578  1 62.773  ? 123 B 1 c
ATOM 4572 N N    . GLY Bxp B 103 ? 129.059 20.965 21.167  1 78.865  ? 124 B 1 .
ATOM 4573 C CA   . GLY Bxp B 103 ? 129.168 19.577 20.761  1 84.22   ? 124 B 1 .
ATOM 4574 C C    . GLY Bxp B 103 ? 128.558 19.383 19.381  1 78.413  ? 124 B 1 .
ATOM 4575 O O    . GLY Bxp B 103 ? 129.179 18.755 18.539  1 79.818  ? 124 B 1 .
ATOM 4576 H H    . GLY Bxp B 103 ? 128.596 21.158 21.931  1 75.917  ? 124 B 1 c
ATOM 4577 H HA3  . GLY Bxp B 103 ? 128.7   19.007 21.416  1 81.601  ? 124 B 1 c
ATOM 4578 H HA2  . GLY Bxp B 103 ? 130.118 19.315 20.747  1 81.592  ? 124 B 1 c
ATOM 4579 N N    . GLN Bxp B 104 ? 127.366 19.961 19.18   1 70.438  ? 125 B 1 .
ATOM 4580 C CA   . GLN Bxp B 104 ? 126.69  19.975 17.893  1 75.479  ? 125 B 1 .
ATOM 4581 C C    . GLN Bxp B 104 ? 127.648 20.465 16.812  1 76.495  ? 125 B 1 .
ATOM 4582 O O    . GLN Bxp B 104 ? 128.217 19.665 16.058  1 60.7    ? 125 B 1 .
ATOM 4583 C CB   . GLN Bxp B 104 ? 125.433 20.861 17.928  1 77.82   ? 125 B 1 .
ATOM 4584 C CG   . GLN Bxp B 104 ? 124.946 21.412 16.582  1 70.023  ? 125 B 1 .
ATOM 4585 C CD   . GLN Bxp B 104 ? 124.649 20.335 15.555  1 85.435  ? 125 B 1 .
ATOM 4586 O OE1  . GLN Bxp B 104 ? 123.704 19.545 15.69   1 79.701  ? 125 B 1 .
ATOM 4587 N NE2  . GLN Bxp B 104 ? 125.442 20.292 14.492  1 100.729 ? 125 B 1 .
ATOM 4588 H H    . GLN Bxp B 104 ? 126.95  20.359 19.89   1 73.547  ? 125 B 1 c
ATOM 4589 H HA   . GLN Bxp B 104 ? 126.418 19.047 17.675  1 75.061  ? 125 B 1 c
ATOM 4590 H HB3  . GLN Bxp B 104 ? 125.607 21.617 18.527  1 75.49   ? 125 B 1 c
ATOM 4591 H HB2  . GLN Bxp B 104 ? 124.707 20.338 18.327  1 75.453  ? 125 B 1 c
ATOM 4592 H HG3  . GLN Bxp B 104 ? 125.613 22.027 16.215  1 75.432  ? 125 B 1 c
ATOM 4593 H HG2  . GLN Bxp B 104 ? 124.126 21.925 16.727  1 75.094  ? 125 B 1 c
ATOM 4594 H HE21 . GLN Bxp B 104 ? 125.807 19.522 14.244  1 95.703  ? 125 B 1 c
ATOM 4595 H HE22 . GLN Bxp B 104 ? 125.606 21.032 14.031  1 95.564  ? 125 B 1 c
ATOM 4596 N N    . ALA Bxp B 105 ? 127.789 21.797 16.757  1 84.849  ? 126 B 1 .
ATOM 4597 C CA   . ALA Bxp B 105 ? 128.535 22.478 15.721  1 90.608  ? 126 B 1 .
ATOM 4598 C C    . ALA Bxp B 105 ? 129.987 21.989 15.727  1 90.02   ? 126 B 1 .
ATOM 4599 O O    . ALA Bxp B 105 ? 130.922 22.757 15.557  1 119.722 ? 126 B 1 .
ATOM 4600 C CB   . ALA Bxp B 105 ? 128.379 23.972 15.948  1 83.48   ? 126 B 1 .
ATOM 4601 H H    . ALA Bxp B 105 ? 127.43  22.303 17.429  1 83.701  ? 126 B 1 c
ATOM 4602 H HA   . ALA Bxp B 105 ? 128.132 22.24  14.841  1 88.02   ? 126 B 1 c
ATOM 4603 H HB3  . ALA Bxp B 105 ? 128.814 24.46  15.229  1 85.521  ? 126 B 1 c
ATOM 4604 H HB2  . ALA Bxp B 105 ? 128.786 24.218 16.796  1 85.521  ? 126 B 1 c
ATOM 4605 H HB1  . ALA Bxp B 105 ? 127.434 24.203 15.966  1 85.511  ? 126 B 1 c
ATOM 4606 N N    . ALA Bxp B 106 ? 130.169 20.684 15.896  1 76.081  ? 127 B 1 .
ATOM 4607 C CA   . ALA Bxp B 106 ? 131.481 20.097 16.086  1 77.275  ? 127 B 1 .
ATOM 4608 C C    . ALA Bxp B 106 ? 131.357 18.613 15.829  1 77.723  ? 127 B 1 .
ATOM 4609 O O    . ALA Bxp B 106 ? 132.33  17.883 15.857  1 74.376  ? 127 B 1 .
ATOM 4610 C CB   . ALA Bxp B 106 ? 131.998 20.344 17.488  1 78.517  ? 127 B 1 .
ATOM 4611 H H    . ALA Bxp B 106 ? 129.443 20.136 15.869  1 79.434  ? 127 B 1 c
ATOM 4612 H HA   . ALA Bxp B 106 ? 132.111 20.488 15.419  1 77.597  ? 127 B 1 c
ATOM 4613 H HB3  . ALA Bxp B 106 ? 132.887 19.963 17.579  1 78.105  ? 127 B 1 c
ATOM 4614 H HB2  . ALA Bxp B 106 ? 131.404 19.928 18.133  1 78.022  ? 127 B 1 c
ATOM 4615 H HB1  . ALA Bxp B 106 ? 132.04  21.3   17.657  1 78.053  ? 127 B 1 c
ATOM 4616 N N    . ARG Bxp B 107 ? 130.12  18.17  15.652  1 87.885  ? 128 B 1 .
ATOM 4617 C CA   . ARG Bxp B 107 ? 129.859 16.795 15.308  1 85.402  ? 128 B 1 .
ATOM 4618 C C    . ARG Bxp B 107 ? 130.378 16.597 13.897  1 80.11   ? 128 B 1 .
ATOM 4619 O O    . ARG Bxp B 107 ? 130.875 15.534 13.563  1 79.72   ? 128 B 1 .
ATOM 4620 C CB   . ARG Bxp B 107 ? 128.35  16.56  15.367  1 89.877  ? 128 B 1 .
ATOM 4621 C CG   . ARG Bxp B 107 ? 127.996 15.135 14.984  1 96.588  ? 128 B 1 .
ATOM 4622 C CD   . ARG Bxp B 107 ? 126.739 15.043 14.156  1 106.382 ? 128 B 1 .
ATOM 4623 N NE   . ARG Bxp B 107 ? 125.568 15.335 14.986  1 103.882 ? 128 B 1 .
ATOM 4624 C CZ   . ARG Bxp B 107 ? 124.759 14.388 15.42   1 109.646 ? 128 B 1 .
ATOM 4625 N NH1  . ARG Bxp B 107 ? 125.084 13.121 15.207  1 120.395 ? 128 B 1 .
ATOM 4626 N NH2  . ARG Bxp B 107 ? 123.655 14.707 16.077  1 99.752  ? 128 B 1 .
ATOM 4627 H H    . ARG Bxp B 107 ? 129.409 18.73  15.763  1 84.273  ? 128 B 1 c
ATOM 4628 H HA   . ARG Bxp B 107 ? 130.341 16.199 15.936  1 85.556  ? 128 B 1 c
ATOM 4629 H HB3  . ARG Bxp B 107 ? 127.901 17.182 14.756  1 90.447  ? 128 B 1 c
ATOM 4630 H HB2  . ARG Bxp B 107 ? 128.029 16.739 16.276  1 90.344  ? 128 B 1 c
ATOM 4631 H HG3  . ARG Bxp B 107 ? 127.874 14.606 15.803  1 96.824  ? 128 B 1 c
ATOM 4632 H HG2  . ARG Bxp B 107 ? 128.735 14.733 14.482  1 96.818  ? 128 B 1 c
ATOM 4633 H HD3  . ARG Bxp B 107 ? 126.659 14.146 13.773  1 103.618 ? 128 B 1 c
ATOM 4634 H HD2  . ARG Bxp B 107 ? 126.782 15.685 13.419  1 103.428 ? 128 B 1 c
ATOM 4635 H HE   . ARG Bxp B 107 ? 125.4   16.163 15.199  1 105.728 ? 128 B 1 c
ATOM 4636 H HH11 . ARG Bxp B 107 ? 125.758 12.759 15.65   1 116.978 ? 128 B 1 c
ATOM 4637 H HH12 . ARG Bxp B 107 ? 124.625 12.642 14.622  1 116.978 ? 128 B 1 c
ATOM 4638 H HH21 . ARG Bxp B 107 ? 123.667 15.372 16.658  1 102.722 ? 128 B 1 c
ATOM 4639 H HH22 . ARG Bxp B 107 ? 122.911 14.253 15.93   1 102.704 ? 128 B 1 c
ATOM 4640 N N    . ALA Bxp B 108 ? 130.251 17.666 13.105  1 76.838  ? 129 B 1 .
ATOM 4641 C CA   . ALA Bxp B 108 ? 130.609 17.679 11.702  1 71.781  ? 129 B 1 .
ATOM 4642 C C    . ALA Bxp B 108 ? 132.107 17.54  11.521  1 68.475  ? 129 B 1 .
ATOM 4643 O O    . ALA Bxp B 108 ? 132.554 17.604 10.386  1 68.631  ? 129 B 1 .
ATOM 4644 C CB   . ALA Bxp B 108 ? 130.14  18.963 11.043  1 71.877  ? 129 B 1 .
ATOM 4645 H H    . ALA Bxp B 108 ? 129.902 18.432 13.46   1 76.551  ? 129 B 1 c
ATOM 4646 H HA   . ALA Bxp B 108 ? 130.167 16.902 11.26   1 72.13   ? 129 B 1 c
ATOM 4647 H HB3  . ALA Bxp B 108 ? 130.22  18.884 10.078  1 71.833  ? 129 B 1 c
ATOM 4648 H HB2  . ALA Bxp B 108 ? 130.685 19.707 11.35   1 71.832  ? 129 B 1 c
ATOM 4649 H HB1  . ALA Bxp B 108 ? 129.211 19.13  11.276  1 71.87   ? 129 B 1 c
ATOM 4650 N N    . THR Bxp B 109 ? 132.871 17.408 12.61   1 72.459  ? 130 B 1 .
ATOM 4651 C CA   . THR Bxp B 109 ? 134.317 17.433 12.476  1 76.482  ? 130 B 1 .
ATOM 4652 C C    . THR Bxp B 109 ? 135.001 16.42  13.386  1 83.349  ? 130 B 1 .
ATOM 4653 O O    . THR Bxp B 109 ? 136.223 16.321 13.357  1 104.448 ? 130 B 1 .
ATOM 4654 C CB   . THR Bxp B 109 ? 134.788 18.851 12.782  1 85.19   ? 130 B 1 .
ATOM 4655 O OG1  . THR Bxp B 109 ? 134.366 19.16  14.105  1 90.207  ? 130 B 1 .
ATOM 4656 C CG2  . THR Bxp B 109 ? 134.169 19.891 11.87   1 90.937  ? 130 B 1 .
ATOM 4657 H H    . THR Bxp B 109 ? 132.499 17.352 13.441  1 72.634  ? 130 B 1 c
ATOM 4658 H HA   . THR Bxp B 109 ? 134.549 17.222 11.546  1 78.296  ? 130 B 1 c
ATOM 4659 H HB   . THR Bxp B 109 ? 135.772 18.902 12.728  1 85.585  ? 130 B 1 c
ATOM 4660 H HG1  . THR Bxp B 109 ? 133.496 19.467 14.055  0 60      ? 130 B 1 c
ATOM 4661 H HG21 . THR Bxp B 109 ? 134.684 20.714 11.92   1 89.09   ? 130 B 1 c
ATOM 4662 H HG22 . THR Bxp B 109 ? 133.254 20.066 12.147  1 88.938  ? 130 B 1 c
ATOM 4663 H HG23 . THR Bxp B 109 ? 134.173 19.564 10.954  1 88.909  ? 130 B 1 c
ATOM 4664 N N    . SER Bxp B 110 ? 134.245 15.651 14.176  1 82.734  ? 131 B 1 .
ATOM 4665 C CA   . SER Bxp B 110 ? 134.859 14.782 15.165  1 80.257  ? 131 B 1 .
ATOM 4666 C C    . SER Bxp B 110 ? 134.093 13.479 15.201  1 74.518  ? 131 B 1 .
ATOM 4667 O O    . SER Bxp B 110 ? 133.023 13.41  15.795  1 73.629  ? 131 B 1 .
ATOM 4668 C CB   . SER Bxp B 110 ? 134.894 15.408 16.538  1 79.802  ? 131 B 1 .
ATOM 4669 O OG   . SER Bxp B 110 ? 135.62  14.623 17.478  1 71.449  ? 131 B 1 .
ATOM 4670 H H    . SER Bxp B 110 ? 133.335 15.654 14.092  1 82.034  ? 131 B 1 c
ATOM 4671 H HA   . SER Bxp B 110 ? 135.79  14.59  14.884  1 79.663  ? 131 B 1 c
ATOM 4672 H HB3  . SER Bxp B 110 ? 133.98  15.53  16.858  1 77.713  ? 131 B 1 c
ATOM 4673 H HB2  . SER Bxp B 110 ? 135.306 16.291 16.473  1 77.807  ? 131 B 1 c
ATOM 4674 H HG   . SER Bxp B 110 ? 135.615 15.097 18.306  0 60      ? 131 B 1 c
ATOM 4675 N N    . VAL Bxp B 111 ? 134.65  12.464 14.545  1 76.854  ? 132 B 1 .
ATOM 4676 C CA   . VAL Bxp B 111 ? 134.01  11.165 14.574  1 75.133  ? 132 B 1 .
ATOM 4677 C C    . VAL Bxp B 111 ? 133.749 10.819 16.038  1 73.271  ? 132 B 1 .
ATOM 4678 O O    . VAL Bxp B 111 ? 132.66  10.353 16.354  1 77.158  ? 132 B 1 .
ATOM 4679 C CB   . VAL Bxp B 111 ? 134.827 10.093 13.832  1 64.98   ? 132 B 1 .
ATOM 4680 C CG1  . VAL Bxp B 111 ? 135.29  10.634 12.478  1 64.943  ? 132 B 1 .
ATOM 4681 C CG2  . VAL Bxp B 111 ? 136     9.584  14.662  1 61.013  ? 132 B 1 .
ATOM 4682 H H    . VAL Bxp B 111 ? 135.433 12.576 14.088  1 75.713  ? 132 B 1 c
ATOM 4683 H HA   . VAL Bxp B 111 ? 133.146 11.249 14.125  1 73.163  ? 132 B 1 c
ATOM 4684 H HB   . VAL Bxp B 111 ? 134.223 9.332  13.664  1 65.972  ? 132 B 1 c
ATOM 4685 H HG11 . VAL Bxp B 111 ? 136.165 11.046 12.574  1 65.032  ? 132 B 1 c
ATOM 4686 H HG12 . VAL Bxp B 111 ? 134.655 11.295 12.156  1 65.084  ? 132 B 1 c
ATOM 4687 H HG13 . VAL Bxp B 111 ? 135.346 9.903  11.84   1 64.994  ? 132 B 1 c
ATOM 4688 H HG21 . VAL Bxp B 111 ? 136.6   9.072  14.094  1 62.241  ? 132 B 1 c
ATOM 4689 H HG22 . VAL Bxp B 111 ? 135.672 9.016  15.379  1 62.281  ? 132 B 1 c
ATOM 4690 H HG23 . VAL Bxp B 111 ? 136.481 10.338 15.041  1 62.473  ? 132 B 1 c
ATOM 4691 N N    . GLU Bxp B 112 ? 134.711 11.13  16.926  1 70.627  ? 133 B 1 .
ATOM 4692 C CA   . GLU Bxp B 112 ? 134.618 10.785 18.34   1 70.233  ? 133 B 1 .
ATOM 4693 C C    . GLU Bxp B 112 ? 133.264 11.222 18.882  1 70.123  ? 133 B 1 .
ATOM 4694 O O    . GLU Bxp B 112 ? 132.532 10.411 19.464  1 75.086  ? 133 B 1 .
ATOM 4695 C CB   . GLU Bxp B 112 ? 135.681 11.428 19.23   1 67.197  ? 133 B 1 .
ATOM 4696 C CG   . GLU Bxp B 112 ? 137.101 10.912 19.005  1 69.44   ? 133 B 1 .
ATOM 4697 C CD   . GLU Bxp B 112 ? 137.742 11.435 17.734  1 73.643  ? 133 B 1 .
ATOM 4698 O OE1  . GLU Bxp B 112 ? 137.72  12.662 17.52   1 74.98   ? 133 B 1 .
ATOM 4699 O OE2  . GLU Bxp B 112 ? 138.276 10.619 16.96   1 96.917  ? 133 B 1 .
ATOM 4700 H H    . GLU Bxp B 112 ? 135.453 11.578 16.637  1 71.124  ? 133 B 1 c
ATOM 4701 H HA   . GLU Bxp B 112 ? 134.687 9.8    18.423  1 69.725  ? 133 B 1 c
ATOM 4702 H HB3  . GLU Bxp B 112 ? 135.442 11.262 20.163  1 68.329  ? 133 B 1 c
ATOM 4703 H HB2  . GLU Bxp B 112 ? 135.666 12.398 19.087  1 68.397  ? 133 B 1 c
ATOM 4704 H HG3  . GLU Bxp B 112 ? 137.084 9.931  18.966  1 70.008  ? 133 B 1 c
ATOM 4705 H HG2  . GLU Bxp B 112 ? 137.661 11.17  19.767  1 69.892  ? 133 B 1 c
ATOM 4706 N N    . VAL Bxp B 113 ? 132.958 12.506 18.643  1 70.824  ? 134 B 1 .
ATOM 4707 C CA   . VAL Bxp B 113 ? 131.73  13.138 19.102  1 65.877  ? 134 B 1 .
ATOM 4708 C C    . VAL Bxp B 113 ? 130.526 12.498 18.428  1 63.144  ? 134 B 1 .
ATOM 4709 O O    . VAL Bxp B 113 ? 129.605 12.078 19.11   1 64.906  ? 134 B 1 .
ATOM 4710 C CB   . VAL Bxp B 113 ? 131.75  14.646 18.821  1 66.928  ? 134 B 1 .
ATOM 4711 C CG1  . VAL Bxp B 113 ? 130.377 15.263 19.019  1 64.994  ? 134 B 1 .
ATOM 4712 C CG2  . VAL Bxp B 113 ? 132.81  15.342 19.665  1 71.398  ? 134 B 1 .
ATOM 4713 H H    . VAL Bxp B 113 ? 133.55  13.013 18.165  1 69.478  ? 134 B 1 c
ATOM 4714 H HA   . VAL Bxp B 113 ? 131.656 13.002 20.067  1 66.474  ? 134 B 1 c
ATOM 4715 H HB   . VAL Bxp B 113 ? 131.996 14.762 17.874  1 67.253  ? 134 B 1 c
ATOM 4716 H HG11 . VAL Bxp B 113 ? 129.909 14.796 19.731  1 65.667  ? 134 B 1 c
ATOM 4717 H HG12 . VAL Bxp B 113 ? 129.866 15.192 18.195  1 65.579  ? 134 B 1 c
ATOM 4718 H HG13 . VAL Bxp B 113 ? 130.473 16.2   19.257  1 65.615  ? 134 B 1 c
ATOM 4719 H HG21 . VAL Bxp B 113 ? 132.929 16.254 19.35   1 70.039  ? 134 B 1 c
ATOM 4720 H HG22 . VAL Bxp B 113 ? 133.653 14.863 19.591  1 70.04   ? 134 B 1 c
ATOM 4721 H HG23 . VAL Bxp B 113 ? 132.527 15.357 20.594  1 70.003  ? 134 B 1 c
ATOM 4722 N N    . ALA Bxp B 114 ? 130.543 12.472 17.092  1 64.433  ? 135 B 1 .
ATOM 4723 C CA   . ALA Bxp B 114 ? 129.482 11.869 16.306  1 61.432  ? 135 B 1 .
ATOM 4724 C C    . ALA Bxp B 114 ? 129.118 10.49  16.854  1 69.964  ? 135 B 1 .
ATOM 4725 O O    . ALA Bxp B 114 ? 127.94  10.194 17.036  1 73.861  ? 135 B 1 .
ATOM 4726 C CB   . ALA Bxp B 114 ? 129.911 11.807 14.866  1 61.602  ? 135 B 1 .
ATOM 4727 H H    . ALA Bxp B 114 ? 131.25  12.85  16.652  1 63.511  ? 135 B 1 c
ATOM 4728 H HA   . ALA Bxp B 114 ? 128.677 12.452 16.378  1 63.757  ? 135 B 1 c
ATOM 4729 H HB3  . ALA Bxp B 114 ? 129.185 11.454 14.324  1 61.573  ? 135 B 1 c
ATOM 4730 H HB2  . ALA Bxp B 114 ? 130.686 11.227 14.78   1 61.631  ? 135 B 1 c
ATOM 4731 H HB1  . ALA Bxp B 114 ? 130.141 12.698 14.554  1 61.583  ? 135 B 1 c
ATOM 4732 N N    . GLU Bxp B 115 ? 130.136 9.665  17.142  1 83.101  ? 136 B 1 .
ATOM 4733 C CA   . GLU Bxp B 115 ? 129.938 8.317  17.666  1 84.027  ? 136 B 1 .
ATOM 4734 C C    . GLU Bxp B 115 ? 129.345 8.41   19.065  1 80.66   ? 136 B 1 .
ATOM 4735 O O    . GLU Bxp B 115 ? 128.217 7.963  19.26   1 73.569  ? 136 B 1 .
ATOM 4736 C CB   . GLU Bxp B 115 ? 131.236 7.508  17.658  1 84.619  ? 136 B 1 .
ATOM 4737 C CG   . GLU Bxp B 115 ? 131.827 7.38   16.255  1 90.532  ? 136 B 1 .
ATOM 4738 C CD   . GLU Bxp B 115 ? 133.027 6.464  16.096  1 93.01   ? 136 B 1 .
ATOM 4739 O OE1  . GLU Bxp B 115 ? 134.037 6.572  16.844  1 77.944  ? 136 B 1 .
ATOM 4740 O OE2  . GLU Bxp B 115 ? 132.923 5.64   15.162  1 96.673  ? 136 B 1 .
ATOM 4741 H H    . GLU Bxp B 115 ? 130.991 9.958  17.008  1 79.764  ? 136 B 1 c
ATOM 4742 H HA   . GLU Bxp B 115 ? 129.285 7.855  17.081  1 83.214  ? 136 B 1 c
ATOM 4743 H HB3  . GLU Bxp B 115 ? 131.056 6.614  18.019  1 85.775  ? 136 B 1 c
ATOM 4744 H HB2  . GLU Bxp B 115 ? 131.888 7.943  18.246  1 85.731  ? 136 B 1 c
ATOM 4745 H HG3  . GLU Bxp B 115 ? 132.085 8.268  15.94   1 89.511  ? 136 B 1 c
ATOM 4746 H HG2  . GLU Bxp B 115 ? 131.122 7.062  15.651  1 89.714  ? 136 B 1 c
ATOM 4747 N N    . LEU Bxp B 116 ? 130.078 9.057  19.989  1 81.798  ? 137 B 1 .
ATOM 4748 C CA   . LEU Bxp B 116 ? 129.619 9.278  21.358  1 78.187  ? 137 B 1 .
ATOM 4749 C C    . LEU Bxp B 116 ? 128.13  9.592  21.37   1 69.15   ? 137 B 1 .
ATOM 4750 O O    . LEU Bxp B 116 ? 127.415 9.185  22.273  1 60.897  ? 137 B 1 .
ATOM 4751 C CB   . LEU Bxp B 116 ? 130.351 10.423 22.058  1 76.415  ? 137 B 1 .
ATOM 4752 C CG   . LEU Bxp B 116 ? 129.926 10.714 23.504  1 72.767  ? 137 B 1 .
ATOM 4753 C CD1  . LEU Bxp B 116 ? 130.539 9.7    24.465  1 74.881  ? 137 B 1 .
ATOM 4754 C CD2  . LEU Bxp B 116 ? 130.3   12.129 23.884  1 72.154  ? 137 B 1 .
ATOM 4755 H H    . LEU Bxp B 116 ? 130.9   9.378  19.751  1 80.767  ? 137 B 1 c
ATOM 4756 H HA   . LEU Bxp B 116 ? 129.765 8.442  21.87   1 76.775  ? 137 B 1 c
ATOM 4757 H HB3  . LEU Bxp B 116 ? 130.219 11.239 21.523  1 75.855  ? 137 B 1 c
ATOM 4758 H HB2  . LEU Bxp B 116 ? 131.314 10.218 22.053  1 75.942  ? 137 B 1 c
ATOM 4759 H HG   . LEU Bxp B 116 ? 128.941 10.636 23.564  1 73.587  ? 137 B 1 c
ATOM 4760 H HD11 . LEU Bxp B 116 ? 130.318 8.8    24.172  1 74.233  ? 137 B 1 c
ATOM 4761 H HD12 . LEU Bxp B 116 ? 130.185 9.845  25.359  1 74.114  ? 137 B 1 c
ATOM 4762 H HD13 . LEU Bxp B 116 ? 131.505 9.807  24.479  1 74.21   ? 137 B 1 c
ATOM 4763 H HD21 . LEU Bxp B 116 ? 130.429 12.661 23.081  1 72.38   ? 137 B 1 c
ATOM 4764 H HD22 . LEU Bxp B 116 ? 131.123 12.122 24.4    1 72.281  ? 137 B 1 c
ATOM 4765 H HD23 . LEU Bxp B 116 ? 129.588 12.52  24.417  1 72.267  ? 137 B 1 c
ATOM 4766 N N    . TRP Bxp B 117 ? 127.702 10.377 20.384  1 67.203  ? 138 B 1 .
ATOM 4767 C CA   . TRP Bxp B 117 ? 126.32  10.781 20.282  1 60.286  ? 138 B 1 .
ATOM 4768 C C    . TRP Bxp B 117 ? 125.542 9.64   19.65   1 56.194  ? 138 B 1 .
ATOM 4769 O O    . TRP Bxp B 117 ? 124.635 9.078  20.252  1 48.475  ? 138 B 1 .
ATOM 4770 C CB   . TRP Bxp B 117 ? 126.195 12.081 19.471  1 53.619  ? 138 B 1 .
ATOM 4771 C CG   . TRP Bxp B 117 ? 124.796 12.597 19.546  1 55.03   ? 138 B 1 .
ATOM 4772 C CD1  . TRP Bxp B 117 ? 123.812 12.499 18.614  1 55.44   ? 138 B 1 .
ATOM 4773 C CD2  . TRP Bxp B 117 ? 124.182 13.152 20.724  1 68.28   ? 138 B 1 .
ATOM 4774 N NE1  . TRP Bxp B 117 ? 122.641 13.012 19.1    1 55.752  ? 138 B 1 .
ATOM 4775 C CE2  . TRP Bxp B 117 ? 122.831 13.405 20.4    1 62.635  ? 138 B 1 .
ATOM 4776 C CE3  . TRP Bxp B 117 ? 124.648 13.475 22.005  1 69.671  ? 138 B 1 .
ATOM 4777 C CZ2  . TRP Bxp B 117 ? 121.944 13.963 21.317  1 56.162  ? 138 B 1 .
ATOM 4778 C CZ3  . TRP Bxp B 117 ? 123.767 14.033 22.901  1 63.422  ? 138 B 1 .
ATOM 4779 C CH2  . TRP Bxp B 117 ? 122.43  14.248 22.568  1 56.221  ? 138 B 1 .
ATOM 4780 H H    . TRP Bxp B 117 ? 128.297 10.694 19.766  1 66.178  ? 138 B 1 c
ATOM 4781 H HA   . TRP Bxp B 117 ? 125.966 10.944 21.197  1 59.584  ? 138 B 1 c
ATOM 4782 H HB3  . TRP Bxp B 117 ? 126.426 11.901 18.535  1 55.43   ? 138 B 1 c
ATOM 4783 H HB2  . TRP Bxp B 117 ? 126.809 12.75  19.843  1 55.39   ? 138 B 1 c
ATOM 4784 H HD1  . TRP Bxp B 117 ? 123.922 12.16  17.74   1 55.53   ? 138 B 1 c
ATOM 4785 H HE1  . TRP Bxp B 117 ? 121.891 13.062 18.659  1 57.269  ? 138 B 1 c
ATOM 4786 H HE3  . TRP Bxp B 117 ? 125.547 13.322 22.241  1 67.545  ? 138 B 1 c
ATOM 4787 H HZ2  . TRP Bxp B 117 ? 121.043 14.118 21.093  1 57.706  ? 138 B 1 c
ATOM 4788 H HZ3  . TRP Bxp B 117 ? 124.063 14.242 23.771  1 63.007  ? 138 B 1 c
ATOM 4789 H HH2  . TRP Bxp B 117 ? 121.854 14.631 23.206  1 57.938  ? 138 B 1 c
ATOM 4790 N N    . SER Bxp B 118 ? 125.967 9.285  18.443  1 59.479  ? 139 B 1 .
ATOM 4791 C CA   . SER Bxp B 118 ? 125.29  8.279  17.661  1 64.32   ? 139 B 1 .
ATOM 4792 C C    . SER Bxp B 118 ? 125.169 6.983  18.45   1 60.368  ? 139 B 1 .
ATOM 4793 O O    . SER Bxp B 118 ? 124.344 6.164  18.108  1 58.552  ? 139 B 1 .
ATOM 4794 C CB   . SER Bxp B 118 ? 125.994 8.055  16.374  1 70.013  ? 139 B 1 .
ATOM 4795 O OG   . SER Bxp B 118 ? 125.166 7.264  15.543  1 77.426  ? 139 B 1 .
ATOM 4796 H H    . SER Bxp B 118 ? 126.713 9.682  18.095  1 59.9    ? 139 B 1 c
ATOM 4797 H HA   . SER Bxp B 118 ? 124.376 8.607  17.464  1 63.631  ? 139 B 1 c
ATOM 4798 H HB3  . SER Bxp B 118 ? 126.841 7.597  16.534  1 70.257  ? 139 B 1 c
ATOM 4799 H HB2  . SER Bxp B 118 ? 126.172 8.911  15.941  1 70.259  ? 139 B 1 c
ATOM 4800 H HG   . SER Bxp B 118 ? 125.989 6.961  14.796  0 53.31   ? 139 B 1 c
ATOM 4801 N N    . THR Bxp B 119 ? 125.976 6.807  19.503  1 62.619  ? 140 B 1 .
ATOM 4802 C CA   . THR Bxp B 119 ? 125.853 5.642  20.368  1 62.263  ? 140 B 1 .
ATOM 4803 C C    . THR Bxp B 119 ? 124.623 5.814  21.253  1 64.519  ? 140 B 1 .
ATOM 4804 O O    . THR Bxp B 119 ? 123.59  5.225  20.967  1 67.585  ? 140 B 1 .
ATOM 4805 C CB   . THR Bxp B 119 ? 127.095 5.415  21.237  1 61.714  ? 140 B 1 .
ATOM 4806 O OG1  . THR Bxp B 119 ? 128.28  5.49   20.455  1 58.913  ? 140 B 1 .
ATOM 4807 C CG2  . THR Bxp B 119 ? 127.056 4.056  21.916  1 59.712  ? 140 B 1 .
ATOM 4808 H H    . THR Bxp B 119 ? 126.642 7.408  19.671  1 62.027  ? 140 B 1 c
ATOM 4809 H HA   . THR Bxp B 119 ? 125.723 4.851  19.802  1 62.617  ? 140 B 1 c
ATOM 4810 H HB   . THR Bxp B 119 ? 127.142 6.107  21.938  1 60.93   ? 140 B 1 c
ATOM 4811 H HG1  . THR Bxp B 119 ? 128.274 4.856  19.844  0 49.01   ? 140 B 1 c
ATOM 4812 H HG21 . THR Bxp B 119 ? 127.95  3.815  22.211  1 60.298  ? 140 B 1 c
ATOM 4813 H HG22 . THR Bxp B 119 ? 126.731 3.388  21.289  1 60.326  ? 140 B 1 c
ATOM 4814 H HG23 . THR Bxp B 119 ? 126.462 4.094  22.684  1 60.32   ? 140 B 1 c
ATOM 4815 N N    . PHE Bxp B 120 ? 124.748 6.627  22.314  1 62.521  ? 141 B 1 .
ATOM 4816 C CA   . PHE Bxp B 120 ? 123.691 6.82   23.292  1 64.032  ? 141 B 1 .
ATOM 4817 C C    . PHE Bxp B 120 ? 122.331 7.057  22.639  1 62.996  ? 141 B 1 .
ATOM 4818 O O    . PHE Bxp B 120 ? 121.333 6.513  23.088  1 65.27   ? 141 B 1 .
ATOM 4819 C CB   . PHE Bxp B 120 ? 124.021 8.014  24.182  1 68.439  ? 141 B 1 .
ATOM 4820 C CG   . PHE Bxp B 120 ? 125.05  7.693  25.251  1 70.771  ? 141 B 1 .
ATOM 4821 C CD1  . PHE Bxp B 120 ? 126.407 7.762  24.975  1 71.103  ? 141 B 1 .
ATOM 4822 C CD2  . PHE Bxp B 120 ? 124.661 7.325  26.53   1 69.853  ? 141 B 1 .
ATOM 4823 C CE1  . PHE Bxp B 120 ? 127.347 7.495  25.961  1 64.892  ? 141 B 1 .
ATOM 4824 C CE2  . PHE Bxp B 120 ? 125.611 7.035  27.498  1 68.368  ? 141 B 1 .
ATOM 4825 C CZ   . PHE Bxp B 120 ? 126.948 7.129  27.213  1 60.176  ? 141 B 1 .
ATOM 4826 H H    . PHE Bxp B 120 ? 125.52  7.105  22.412  1 63.475  ? 141 B 1 c
ATOM 4827 H HA   . PHE Bxp B 120 ? 123.635 6.006  23.86   1 64.355  ? 141 B 1 c
ATOM 4828 H HB3  . PHE Bxp B 120 ? 123.194 8.322  24.617  1 67.852  ? 141 B 1 c
ATOM 4829 H HB2  . PHE Bxp B 120 ? 124.361 8.744  23.618  1 67.883  ? 141 B 1 c
ATOM 4830 H HD1  . PHE Bxp B 120 ? 126.693 8.024  24.117  1 69.305  ? 141 B 1 c
ATOM 4831 H HD2  . PHE Bxp B 120 ? 123.742 7.263  26.74   1 69.606  ? 141 B 1 c
ATOM 4832 H HE1  . PHE Bxp B 120 ? 128.267 7.546  25.757  1 65.191  ? 141 B 1 c
ATOM 4833 H HE2  . PHE Bxp B 120 ? 125.333 6.789  28.366  1 66.702  ? 141 B 1 c
ATOM 4834 H HZ   . PHE Bxp B 120 ? 127.59  6.93   27.876  1 63.258  ? 141 B 1 c
ATOM 4835 N N    . MET Bxp B 121 ? 122.264 7.866  21.584  1 59.635  ? 142 B 1 .
ATOM 4836 C CA   . MET Bxp B 121 ? 120.997 8.046  20.895  1 62.146  ? 142 B 1 .
ATOM 4837 C C    . MET Bxp B 121 ? 120.316 6.701  20.639  1 68.877  ? 142 B 1 .
ATOM 4838 O O    . MET Bxp B 121 ? 119.105 6.627  20.457  1 73.146  ? 142 B 1 .
ATOM 4839 C CB   . MET Bxp B 121 ? 121.199 8.746  19.551  1 64.489  ? 142 B 1 .
ATOM 4840 C CG   . MET Bxp B 121 ? 121.404 10.222 19.68   1 65.535  ? 142 B 1 .
ATOM 4841 S SD   . MET Bxp B 121 ? 119.955 11.044 20.365  1 67.15   ? 142 B 1 .
ATOM 4842 C CE   . MET Bxp B 121 ? 118.69  10.873 19.099  1 65.259  ? 142 B 1 .
ATOM 4843 H H    . MET Bxp B 121 ? 123.005 8.313  21.292  1 61.033  ? 142 B 1 c
ATOM 4844 H HA   . MET Bxp B 121 ? 120.406 8.593  21.471  1 63.257  ? 142 B 1 c
ATOM 4845 H HB3  . MET Bxp B 121 ? 120.414 8.58   18.986  1 64.222  ? 142 B 1 c
ATOM 4846 H HB2  . MET Bxp B 121 ? 121.979 8.352  19.105  1 64.197  ? 142 B 1 c
ATOM 4847 H HG3  . MET Bxp B 121 ? 121.598 10.601 18.799  1 65.522  ? 142 B 1 c
ATOM 4848 H HG2  . MET Bxp B 121 ? 122.172 10.396 20.26   1 65.569  ? 142 B 1 c
ATOM 4849 H HE3  . MET Bxp B 121 ? 118.398 9.944  19.057  1 65.726  ? 142 B 1 c
ATOM 4850 H HE2  . MET Bxp B 121 ? 119.057 11.138 18.236  1 65.726  ? 142 B 1 c
ATOM 4851 H HE1  . MET Bxp B 121 ? 117.931 11.443 19.32   1 65.726  ? 142 B 1 c
ATOM 4852 N N    . GLN Bxp B 122 ? 121.109 5.634  20.579  1 74.093  ? 143 B 1 .
ATOM 4853 C CA   . GLN Bxp B 122 ? 120.574 4.312  20.329  1 74.076  ? 143 B 1 .
ATOM 4854 C C    . GLN Bxp B 122 ? 120.182 3.638  21.639  1 67.491  ? 143 B 1 .
ATOM 4855 O O    . GLN Bxp B 122 ? 119.274 2.82   21.627  1 79.982  ? 143 B 1 .
ATOM 4856 C CB   . GLN Bxp B 122 ? 121.562 3.438  19.557  1 76.194  ? 143 B 1 .
ATOM 4857 C CG   . GLN Bxp B 122 ? 121.781 3.88   18.116  1 76.997  ? 143 B 1 .
ATOM 4858 C CD   . GLN Bxp B 122 ? 122.851 3.092  17.391  1 80.562  ? 143 B 1 .
ATOM 4859 O OE1  . GLN Bxp B 122 ? 123.116 3.308  16.207  1 102.488 ? 143 B 1 .
ATOM 4860 N NE2  . GLN Bxp B 122 ? 123.498 2.175  18.086  1 79.006  ? 143 B 1 .
ATOM 4861 H H    . GLN Bxp B 122 ? 122.013 5.733  20.655  1 72.517  ? 143 B 1 c
ATOM 4862 H HA   . GLN Bxp B 122 ? 119.762 4.407  19.773  1 73.315  ? 143 B 1 c
ATOM 4863 H HB3  . GLN Bxp B 122 ? 121.23  2.516  19.557  1 75.846  ? 143 B 1 c
ATOM 4864 H HB2  . GLN Bxp B 122 ? 122.42  3.443  20.027  1 75.839  ? 143 B 1 c
ATOM 4865 H HG3  . GLN Bxp B 122 ? 122.03  4.829  18.105  1 77.489  ? 143 B 1 c
ATOM 4866 H HG2  . GLN Bxp B 122 ? 120.939 3.789  17.622  1 77.521  ? 143 B 1 c
ATOM 4867 H HE21 . GLN Bxp B 122 ? 124.306 2.351  18.407  1 79.482  ? 143 B 1 c
ATOM 4868 H HE22 . GLN Bxp B 122 ? 123.124 1.383  18.23   1 79.482  ? 143 B 1 c
ATOM 4869 N N    . LYS Bxp B 123 ? 120.904 3.919  22.735  1 60.223  ? 144 B 1 .
ATOM 4870 C CA   . LYS Bxp B 123 ? 120.558 3.36   24.032  1 58.482  ? 144 B 1 .
ATOM 4871 C C    . LYS Bxp B 123 ? 119.206 3.929  24.45   1 63.95   ? 144 B 1 .
ATOM 4872 O O    . LYS Bxp B 123 ? 118.292 3.222  24.883  1 58.326  ? 144 B 1 .
ATOM 4873 C CB   . LYS Bxp B 123 ? 121.596 3.663  25.115  1 53.127  ? 144 B 1 .
ATOM 4874 C CG   . LYS Bxp B 123 ? 121.197 3.053  26.436  1 60.278  ? 144 B 1 .
ATOM 4875 C CD   . LYS Bxp B 123 ? 122.086 3.476  27.591  1 72.628  ? 144 B 1 .
ATOM 4876 C CE   . LYS Bxp B 123 ? 123.244 2.575  27.801  1 73.999  ? 144 B 1 .
ATOM 4877 N NZ   . LYS Bxp B 123 ? 124.248 3.254  28.621  1 75.778  ? 144 B 1 .
ATOM 4878 H H    . LYS Bxp B 123 ? 121.64  4.456  22.668  1 61.581  ? 144 B 1 c
ATOM 4879 H HA   . LYS Bxp B 123 ? 120.474 2.377  23.936  1 58.887  ? 144 B 1 c
ATOM 4880 H HB3  . LYS Bxp B 123 ? 121.683 4.635  25.222  1 55.973  ? 144 B 1 c
ATOM 4881 H HB2  . LYS Bxp B 123 ? 122.468 3.303  24.845  1 55.904  ? 144 B 1 c
ATOM 4882 H HG3  . LYS Bxp B 123 ? 121.225 2.075  26.351  1 61.157  ? 144 B 1 c
ATOM 4883 H HG2  . LYS Bxp B 123 ? 120.273 3.311  26.639  1 61.114  ? 144 B 1 c
ATOM 4884 H HD3  . LYS Bxp B 123 ? 121.55  3.504  28.413  1 69.906  ? 144 B 1 c
ATOM 4885 H HD2  . LYS Bxp B 123 ? 122.419 4.381  27.415  1 69.845  ? 144 B 1 c
ATOM 4886 H HE3  . LYS Bxp B 123 ? 123.638 2.331  26.944  1 74.012  ? 144 B 1 c
ATOM 4887 H HE2  . LYS Bxp B 123 ? 122.957 1.762  28.254  1 74.08   ? 144 B 1 c
ATOM 4888 H HZ1  . LYS Bxp B 123 ? 123.868 3.56   29.384  1 75.201  ? 144 B 1 c
ATOM 4889 H HZ2  . LYS Bxp B 123 ? 124.599 3.952  28.162  1 75.184  ? 144 B 1 c
ATOM 4890 H HZ3  . LYS Bxp B 123 ? 124.912 2.675  28.832  1 75.213  ? 144 B 1 c
ATOM 4891 N N    . TRP Bxp B 124 ? 119.113 5.244  24.279  1 71.624  ? 145 B 1 .
ATOM 4892 C CA   . TRP Bxp B 124 ? 117.924 6.005  24.591  1 63.882  ? 145 B 1 .
ATOM 4893 C C    . TRP Bxp B 124 ? 116.798 5.566  23.684  1 59.919  ? 145 B 1 .
ATOM 4894 O O    . TRP Bxp B 124 ? 115.698 5.32   24.136  1 63.133  ? 145 B 1 .
ATOM 4895 C CB   . TRP Bxp B 124 ? 118.237 7.491  24.415  1 56.187  ? 145 B 1 .
ATOM 4896 C CG   . TRP Bxp B 124 ? 119.312 7.93   25.368  1 54.818  ? 145 B 1 .
ATOM 4897 C CD1  . TRP Bxp B 124 ? 119.665 7.321  26.537  1 52.899  ? 145 B 1 .
ATOM 4898 C CD2  . TRP Bxp B 124 ? 120.154 9.091  25.237  1 57.003  ? 145 B 1 .
ATOM 4899 N NE1  . TRP Bxp B 124 ? 120.691 8.006  27.124  1 60.282  ? 145 B 1 .
ATOM 4900 C CE2  . TRP Bxp B 124 ? 121.001 9.108  26.364  1 59.271  ? 145 B 1 .
ATOM 4901 C CE3  . TRP Bxp B 124 ? 120.271 10.113 24.29   1 60.492  ? 145 B 1 .
ATOM 4902 C CZ2  . TRP Bxp B 124 ? 121.95  10.108 26.565  1 56.493  ? 145 B 1 .
ATOM 4903 C CZ3  . TRP Bxp B 124 ? 121.203 11.106 24.49   1 60.919  ? 145 B 1 .
ATOM 4904 C CH2  . TRP Bxp B 124 ? 122.035 11.093 25.609  1 59.669  ? 145 B 1 .
ATOM 4905 H H    . TRP Bxp B 124 ? 119.838 5.693  23.948  1 67.538  ? 145 B 1 c
ATOM 4906 H HA   . TRP Bxp B 124 ? 117.666 5.834  25.536  1 62.958  ? 145 B 1 c
ATOM 4907 H HB3  . TRP Bxp B 124 ? 117.422 8.01   24.586  1 57.526  ? 145 B 1 c
ATOM 4908 H HB2  . TRP Bxp B 124 ? 118.538 7.647  23.495  1 57.575  ? 145 B 1 c
ATOM 4909 H HD1  . TRP Bxp B 124 ? 119.294 6.525  26.883  1 55.138  ? 145 B 1 c
ATOM 4910 H HE1  . TRP Bxp B 124 ? 121.066 7.796  27.881  1 58.271  ? 145 B 1 c
ATOM 4911 H HE3  . TRP Bxp B 124 ? 119.711 10.127 23.533  1 59.735  ? 145 B 1 c
ATOM 4912 H HZ2  . TRP Bxp B 124 ? 122.513 10.104 27.32   1 57.889  ? 145 B 1 c
ATOM 4913 H HZ3  . TRP Bxp B 124 ? 121.29  11.798 23.855  1 60.457  ? 145 B 1 c
ATOM 4914 H HH2  . TRP Bxp B 124 ? 122.666 11.783 25.719  1 59.183  ? 145 B 1 c
ATOM 4915 N N    . ILE Bxp B 125 ? 117.115 5.434  22.407  1 63.677  ? 146 B 1 .
ATOM 4916 C CA   . ILE Bxp B 125 ? 116.109 5.046  21.446  1 71.261  ? 146 B 1 .
ATOM 4917 C C    . ILE Bxp B 125 ? 115.597 3.652  21.796  1 69.54   ? 146 B 1 .
ATOM 4918 O O    . ILE Bxp B 125 ? 114.439 3.357  21.537  1 56.33   ? 146 B 1 .
ATOM 4919 C CB   . ILE Bxp B 125 ? 116.669 5.12   20.015  1 80.503  ? 146 B 1 .
ATOM 4920 C CG1  . ILE Bxp B 125 ? 115.657 5.761  19.077  1 79.612  ? 146 B 1 .
ATOM 4921 C CG2  . ILE Bxp B 125 ? 117.147 3.75   19.52   1 88.139  ? 146 B 1 .
ATOM 4922 C CD1  . ILE Bxp B 125 ? 116.214 6.197  17.733  1 76.842  ? 146 B 1 .
ATOM 4923 H H    . ILE Bxp B 125 ? 117.971 5.589  22.125  1 64.643  ? 146 B 1 c
ATOM 4924 H HA   . ILE Bxp B 125 ? 115.365 5.671  21.518  1 70.978  ? 146 B 1 c
ATOM 4925 H HB   . ILE Bxp B 125 ? 117.443 5.705  20.036  1 79.563  ? 146 B 1 c
ATOM 4926 H HG12 . ILE Bxp B 125 ? 115.273 6.543  19.522  1 78.882  ? 146 B 1 c
ATOM 4927 H HG13 . ILE Bxp B 125 ? 114.931 5.122  18.921  1 79.114  ? 146 B 1 c
ATOM 4928 H HG21 . ILE Bxp B 125 ? 117.668 3.865  18.707  1 85.702  ? 146 B 1 c
ATOM 4929 H HG22 . ILE Bxp B 125 ? 116.38  3.184  19.33   1 85.628  ? 146 B 1 c
ATOM 4930 H HG23 . ILE Bxp B 125 ? 117.699 3.331  20.194  1 85.381  ? 146 B 1 c
ATOM 4931 H HD11 . ILE Bxp B 125 ? 117.189 6.159  17.759  1 77.572  ? 146 B 1 c
ATOM 4932 H HD12 . ILE Bxp B 125 ? 115.935 7.113  17.543  1 77.424  ? 146 B 1 c
ATOM 4933 H HD13 . ILE Bxp B 125 ? 115.889 5.605  17.032  1 77.325  ? 146 B 1 c
ATOM 4934 N N    . ALA Bxp B 126 ? 116.486 2.808  22.35   1 81.005  ? 147 B 1 .
ATOM 4935 C CA   . ALA Bxp B 126 ? 116.169 1.432  22.709  1 75.088  ? 147 B 1 .
ATOM 4936 C C    . ALA Bxp B 126 ? 115.309 1.449  23.953  1 70.766  ? 147 B 1 .
ATOM 4937 O O    . ALA Bxp B 126 ? 114.172 0.986  23.936  1 73.06   ? 147 B 1 .
ATOM 4938 C CB   . ALA Bxp B 126 ? 117.415 0.617  22.978  1 68.036  ? 147 B 1 .
ATOM 4939 H H    . ALA Bxp B 126 ? 117.338 3.104  22.496  1 76.407  ? 147 B 1 c
ATOM 4940 H HA   . ALA Bxp B 126 ? 115.65  1.018  21.965  1 73.897  ? 147 B 1 c
ATOM 4941 H HB3  . ALA Bxp B 126 ? 117.181 -0.185 23.475  1 70.045  ? 147 B 1 c
ATOM 4942 H HB2  . ALA Bxp B 126 ? 118.048 1.141  23.495  1 70.003  ? 147 B 1 c
ATOM 4943 H HB1  . ALA Bxp B 126 ? 117.826 0.362  22.134  1 70.042  ? 147 B 1 c
ATOM 4944 N N    . TYR Bxp B 127 ? 115.893 2.003  25.014  1 65.828  ? 148 B 1 .
ATOM 4945 C CA   . TYR Bxp B 127 ? 115.198 2.129  26.278  1 69.733  ? 148 B 1 .
ATOM 4946 C C    . TYR Bxp B 127 ? 113.725 2.437  26.019  1 61.93   ? 148 B 1 .
ATOM 4947 O O    . TYR Bxp B 127 ? 112.855 1.755  26.547  1 63.723  ? 148 B 1 .
ATOM 4948 C CB   . TYR Bxp B 127 ? 115.871 3.208  27.13   1 82.99   ? 148 B 1 .
ATOM 4949 C CG   . TYR Bxp B 127 ? 115.067 3.459  28.391  1 98.315  ? 148 B 1 .
ATOM 4950 C CD1  . TYR Bxp B 127 ? 115.222 2.637  29.495  1 106.316 ? 148 B 1 .
ATOM 4951 C CD2  . TYR Bxp B 127 ? 114.124 4.481  28.456  1 114.789 ? 148 B 1 .
ATOM 4952 C CE1  . TYR Bxp B 127 ? 114.464 2.829  30.635  1 123.581 ? 148 B 1 .
ATOM 4953 C CE2  . TYR Bxp B 127 ? 113.357 4.682  29.59   1 118.434 ? 148 B 1 .
ATOM 4954 C CZ   . TYR Bxp B 127 ? 113.534 3.854  30.685  1 130.221 ? 148 B 1 .
ATOM 4955 O OH   . TYR Bxp B 127 ? 112.798 4.034  31.82   1 149.239 ? 148 B 1 .
ATOM 4956 H H    . TYR Bxp B 127 ? 116.748 2.319  24.949  1 68.081  ? 148 B 1 c
ATOM 4957 H HA   . TYR Bxp B 127 ? 115.26  1.261  26.759  1 69.615  ? 148 B 1 c
ATOM 4958 H HB3  . TYR Bxp B 127 ? 115.932 4.039  26.609  1 82.927  ? 148 B 1 c
ATOM 4959 H HB2  . TYR Bxp B 127 ? 116.776 2.91   27.372  1 82.927  ? 148 B 1 c
ATOM 4960 H HD1  . TYR Bxp B 127 ? 115.844 1.929  29.464  1 108.292 ? 148 B 1 c
ATOM 4961 H HD2  . TYR Bxp B 127 ? 113.995 5.041  27.707  1 111.584 ? 148 B 1 c
ATOM 4962 H HE1  . TYR Bxp B 127 ? 114.584 2.267  31.382  1 120.609 ? 148 B 1 c
ATOM 4963 H HE2  . TYR Bxp B 127 ? 112.728 5.383  29.623  1 120.048 ? 148 B 1 c
ATOM 4964 H HH   . TYR Bxp B 127 ? 112.928 3.521  32.507  0 60      ? 148 B 1 c
ATOM 4965 N N    . THR Bxp B 128 ? 113.483 3.472  25.2    1 62.282  ? 149 B 1 .
ATOM 4966 C CA   . THR Bxp B 128 ? 112.156 3.928  24.822  1 61.423  ? 149 B 1 .
ATOM 4967 C C    . THR Bxp B 128 ? 111.373 2.758  24.255  1 69.592  ? 149 B 1 .
ATOM 4968 O O    . THR Bxp B 128 ? 110.44  2.273  24.886  1 76.319  ? 149 B 1 .
ATOM 4969 C CB   . THR Bxp B 128 ? 112.245 5.037  23.774  1 61.004  ? 149 B 1 .
ATOM 4970 O OG1  . THR Bxp B 128 ? 112.605 6.239  24.43   1 72.582  ? 149 B 1 .
ATOM 4971 C CG2  . THR Bxp B 128 ? 110.92  5.333  23.104  1 59.782  ? 149 B 1 .
ATOM 4972 H H    . THR Bxp B 128 ? 114.201 3.929  24.866  1 62.119  ? 149 B 1 c
ATOM 4973 H HA   . THR Bxp B 128 ? 111.697 4.272  25.619  1 62.94   ? 149 B 1 c
ATOM 4974 H HB   . THR Bxp B 128 ? 112.925 4.818  23.093  1 63.067  ? 149 B 1 c
ATOM 4975 H HG1  . THR Bxp B 128 ? 112.041 6.508  25.133  0 44.04   ? 149 B 1 c
ATOM 4976 H HG21 . THR Bxp B 128 ? 110.985 6.169  22.612  1 60.291  ? 149 B 1 c
ATOM 4977 H HG22 . THR Bxp B 128 ? 110.225 5.411  23.78   1 60.265  ? 149 B 1 c
ATOM 4978 H HG23 . THR Bxp B 128 ? 110.693 4.616  22.491  1 60.449  ? 149 B 1 c
ATOM 4979 N N    . ALA Bxp B 129 ? 111.758 2.348  23.044  1 76.382  ? 150 B 1 .
ATOM 4980 C CA   . ALA Bxp B 129 ? 111.078 1.28   22.338  1 79.119  ? 150 B 1 .
ATOM 4981 C C    . ALA Bxp B 129 ? 110.754 0.148  23.309  1 72.198  ? 150 B 1 .
ATOM 4982 O O    . ALA Bxp B 129 ? 109.659 -0.4   23.268  1 68.285  ? 150 B 1 .
ATOM 4983 C CB   . ALA Bxp B 129 ? 111.94  0.8    21.199  1 85.809  ? 150 B 1 .
ATOM 4984 H H    . ALA Bxp B 129 ? 112.483 2.739  22.648  1 75.046  ? 150 B 1 c
ATOM 4985 H HA   . ALA Bxp B 129 ? 110.222 1.638  21.975  1 78.436  ? 150 B 1 c
ATOM 4986 H HB3  . ALA Bxp B 129 ? 111.479 0.094  20.715  1 83.762  ? 150 B 1 c
ATOM 4987 H HB2  . ALA Bxp B 129 ? 112.78  0.454  21.547  1 83.762  ? 150 B 1 c
ATOM 4988 H HB1  . ALA Bxp B 129 ? 112.123 1.538  20.594  1 83.762  ? 150 B 1 c
ATOM 4989 N N    . ALA Bxp B 130 ? 111.696 -0.175 24.202  1 71.525  ? 151 B 1 .
ATOM 4990 C CA   . ALA Bxp B 130 ? 111.431 -1.155 25.247  1 82.978  ? 151 B 1 .
ATOM 4991 C C    . ALA Bxp B 130 ? 110.098 -0.857 25.954  1 98.82   ? 151 B 1 .
ATOM 4992 O O    . ALA Bxp B 130 ? 109.135 -1.634 25.871  1 95.946  ? 151 B 1 .
ATOM 4993 C CB   . ALA Bxp B 130 ? 112.588 -1.206 26.227  1 78.252  ? 151 B 1 .
ATOM 4994 H H    . ALA Bxp B 130 ? 112.524 0.208  24.149  1 74.212  ? 151 B 1 c
ATOM 4995 H HA   . ALA Bxp B 130 ? 111.348 -2.047 24.81   1 82.327  ? 151 B 1 c
ATOM 4996 H HB3  . ALA Bxp B 130 ? 112.828 -2.132 26.398  1 79.595  ? 151 B 1 c
ATOM 4997 H HB2  . ALA Bxp B 130 ? 112.33  -0.785 27.063  1 79.694  ? 151 B 1 c
ATOM 4998 H HB1  . ALA Bxp B 130 ? 113.357 -0.74  25.858  1 79.413  ? 151 B 1 c
ATOM 4999 N N    . VAL Bxp B 131 ? 110.031 0.303  26.62   1 90.61   ? 152 B 1 .
ATOM 5000 C CA   . VAL Bxp B 131 ? 108.844 0.722  27.352  1 78.234  ? 152 B 1 .
ATOM 5001 C C    . VAL Bxp B 131 ? 107.601 0.739  26.463  1 76.156  ? 152 B 1 .
ATOM 5002 O O    . VAL Bxp B 131 ? 106.531 0.322  26.897  1 68.279  ? 152 B 1 .
ATOM 5003 C CB   . VAL Bxp B 131 ? 109.135 2.083  27.994  1 65.116  ? 152 B 1 .
ATOM 5004 C CG1  . VAL Bxp B 131 ? 107.93  2.642  28.748  1 62.118  ? 152 B 1 .
ATOM 5005 C CG2  . VAL Bxp B 131 ? 110.359 1.932  28.893  1 64.221  ? 152 B 1 .
ATOM 5006 H H    . VAL Bxp B 131 ? 110.753 0.864  26.6    1 88.898  ? 152 B 1 c
ATOM 5007 H HA   . VAL Bxp B 131 ? 108.692 0.077  28.068  1 77.386  ? 152 B 1 c
ATOM 5008 H HB   . VAL Bxp B 131 ? 109.361 2.709  27.267  1 66.676  ? 152 B 1 c
ATOM 5009 H HG11 . VAL Bxp B 131 ? 107.511 1.933  29.263  1 63.002  ? 152 B 1 c
ATOM 5010 H HG12 . VAL Bxp B 131 ? 107.288 3.003  28.113  1 63.046  ? 152 B 1 c
ATOM 5011 H HG13 . VAL Bxp B 131 ? 108.221 3.349  29.348  1 63.01   ? 152 B 1 c
ATOM 5012 H HG21 . VAL Bxp B 131 ? 110.188 2.354  29.752  1 64.526  ? 152 B 1 c
ATOM 5013 H HG22 . VAL Bxp B 131 ? 111.124 2.358  28.472  1 64.544  ? 152 B 1 c
ATOM 5014 H HG23 . VAL Bxp B 131 ? 110.55  0.99   29.03   1 64.777  ? 152 B 1 c
ATOM 5015 N N    . ILE Bxp B 132 ? 107.753 1.172  25.209  1 85.404  ? 153 B 1 .
ATOM 5016 C CA   . ILE Bxp B 132 ? 106.65  1.158  24.252  1 87.14   ? 153 B 1 .
ATOM 5017 C C    . ILE Bxp B 132 ? 105.999 -0.221 24.205  1 90.355  ? 153 B 1 .
ATOM 5018 O O    . ILE Bxp B 132 ? 104.796 -0.324 23.994  1 96.437  ? 153 B 1 .
ATOM 5019 C CB   . ILE Bxp B 132 ? 107.096 1.52   22.823  1 86.548  ? 153 B 1 .
ATOM 5020 C CG1  . ILE Bxp B 132 ? 107.7   2.953  22.697  1 74.687  ? 153 B 1 .
ATOM 5021 C CG2  . ILE Bxp B 132 ? 105.935 1.254  21.85   1 82.783  ? 153 B 1 .
ATOM 5022 C CD1  . ILE Bxp B 132 ? 106.708 4.087  22.846  1 69.051  ? 153 B 1 .
ATOM 5023 H H    . ILE Bxp B 132 ? 108.567 1.484  24.938  1 83.385  ? 153 B 1 c
ATOM 5024 H HA   . ILE Bxp B 132 ? 105.982 1.808  24.542  1 87.151  ? 153 B 1 c
ATOM 5025 H HB   . ILE Bxp B 132 ? 107.808 0.897  22.586  1 83.521  ? 153 B 1 c
ATOM 5026 H HG12 . ILE Bxp B 132 ? 108.13  3.031  21.82   1 75.81   ? 153 B 1 c
ATOM 5027 H HG13 . ILE Bxp B 132 ? 108.396 3.059  23.376  1 75.889  ? 153 B 1 c
ATOM 5028 H HG21 . ILE Bxp B 132 ? 106.08  1.754  21.029  1 83.917  ? 153 B 1 c
ATOM 5029 H HG22 . ILE Bxp B 132 ? 105.097 1.537  22.253  1 84.006  ? 153 B 1 c
ATOM 5030 H HG23 . ILE Bxp B 132 ? 105.89  0.305  21.642  1 83.991  ? 153 B 1 c
ATOM 5031 H HD11 . ILE Bxp B 132 ? 106.235 4.212  22.002  1 71.206  ? 153 B 1 c
ATOM 5032 H HD12 . ILE Bxp B 132 ? 107.184 4.905  23.081  1 71.437  ? 153 B 1 c
ATOM 5033 H HD13 . ILE Bxp B 132 ? 106.069 3.868  23.548  1 71.238  ? 153 B 1 c
ATOM 5034 N N    . ASP Bxp B 133 ? 106.819 -1.271 24.31   1 84.65   ? 154 B 1 .
ATOM 5035 C CA   . ASP Bxp B 133 ? 106.33  -2.633 24.27   1 76.047  ? 154 B 1 .
ATOM 5036 C C    . ASP Bxp B 133 ? 105.846 -3.036 25.648  1 75.801  ? 154 B 1 .
ATOM 5037 O O    . ASP Bxp B 133 ? 104.754 -3.582 25.772  1 64.4    ? 154 B 1 .
ATOM 5038 C CB   . ASP Bxp B 133 ? 107.417 -3.564 23.784  1 80.099  ? 154 B 1 .
ATOM 5039 C CG   . ASP Bxp B 133 ? 107.609 -3.56  22.277  1 79.213  ? 154 B 1 .
ATOM 5040 O OD1  . ASP Bxp B 133 ? 106.673 -3.148 21.574  1 77.667  ? 154 B 1 .
ATOM 5041 O OD2  . ASP Bxp B 133 ? 108.696 -3.962 21.824  1 78.593  ? 154 B 1 .
ATOM 5042 H H    . ASP Bxp B 133 ? 107.718 -1.131 24.394  1 83.9    ? 154 B 1 c
ATOM 5043 H HA   . ASP Bxp B 133 ? 105.572 -2.677 23.646  1 78.57   ? 154 B 1 c
ATOM 5044 H HB3  . ASP Bxp B 133 ? 107.198 -4.479 24.059  1 78.957  ? 154 B 1 c
ATOM 5045 H HB2  . ASP Bxp B 133 ? 108.267 -3.32  24.202  1 79.074  ? 154 B 1 c
ATOM 5046 N N    . ALA Bxp B 134 ? 106.653 -2.702 26.667  1 79.35   ? 155 B 1 .
ATOM 5047 C CA   . ALA Bxp B 134 ? 106.311 -2.974 28.059  1 86.987  ? 155 B 1 .
ATOM 5048 C C    . ALA Bxp B 134 ? 104.986 -2.314 28.424  1 85.552  ? 155 B 1 .
ATOM 5049 O O    . ALA Bxp B 134 ? 104.524 -2.401 29.554  1 88.439  ? 155 B 1 .
ATOM 5050 C CB   . ALA Bxp B 134 ? 107.423 -2.502 28.972  1 83.123  ? 155 B 1 .
ATOM 5051 H H    . ALA Bxp B 134 ? 107.451 -2.294 26.486  1 80.185  ? 155 B 1 c
ATOM 5052 H HA   . ALA Bxp B 134 ? 106.203 -3.959 28.163  1 84.481  ? 155 B 1 c
ATOM 5053 H HB3  . ALA Bxp B 134 ? 107.322 -2.912 29.847  1 84.231  ? 155 B 1 c
ATOM 5054 H HB2  . ALA Bxp B 134 ? 107.383 -1.536 29.064  1 84.197  ? 155 B 1 c
ATOM 5055 H HB1  . ALA Bxp B 134 ? 108.284 -2.754 28.597  1 84.208  ? 155 B 1 c
ATOM 5056 N N    . GLU Bxp B 135 ? 104.423 -1.608 27.449  1 97.666  ? 156 B 1 .
ATOM 5057 C CA   . GLU Bxp B 135 ? 103.169 -0.902 27.602  1 103.727 ? 156 B 1 .
ATOM 5058 C C    . GLU Bxp B 135 ? 102.202 -1.413 26.541  1 100.763 ? 156 B 1 .
ATOM 5059 O O    . GLU Bxp B 135 ? 101.222 -0.766 26.204  1 104.2   ? 156 B 1 .
ATOM 5060 C CB   . GLU Bxp B 135 ? 103.45  0.59   27.402  1 100.616 ? 156 B 1 .
ATOM 5061 C CG   . GLU Bxp B 135 ? 102.555 1.507  28.225  1 88.949  ? 156 B 1 .
ATOM 5062 C CD   . GLU Bxp B 135 ? 103.13  1.588  29.616  1 82.695  ? 156 B 1 .
ATOM 5063 O OE1  . GLU Bxp B 135 ? 103.528 0.543  30.208  1 69.829  ? 156 B 1 .
ATOM 5064 O OE2  . GLU Bxp B 135 ? 103.185 2.738  30.075  1 89.328  ? 156 B 1 .
ATOM 5065 H H    . GLU Bxp B 135 ? 104.866 -1.515 26.658  1 95.526  ? 156 B 1 c
ATOM 5066 H HA   . GLU Bxp B 135 ? 102.797 -1.077 28.501  1 100.925 ? 156 B 1 c
ATOM 5067 H HB3  . GLU Bxp B 135 ? 103.344 0.809  26.452  1 98.439  ? 156 B 1 c
ATOM 5068 H HB2  . GLU Bxp B 135 ? 104.38  0.77   27.646  1 97.969  ? 156 B 1 c
ATOM 5069 H HG3  . GLU Bxp B 135 ? 101.644 1.145  28.264  1 89.924  ? 156 B 1 c
ATOM 5070 H HG2  . GLU Bxp B 135 ? 102.535 2.4    27.825  1 89.815  ? 156 B 1 c
ATOM 5071 N N    . ARG Bxp B 136 ? 102.524 -2.567 25.976  1 96.956  ? 157 B 1 .
ATOM 5072 C CA   . ARG Bxp B 136 ? 101.697 -3.152 24.944  1 99.249  ? 157 B 1 .
ATOM 5073 C C    . ARG Bxp B 136 ? 101.375 -4.576 25.359  1 99.085  ? 157 B 1 .
ATOM 5074 O O    . ARG Bxp B 136 ? 100.326 -5.099 25.01   1 80.763  ? 157 B 1 .
ATOM 5075 C CB   . ARG Bxp B 136 ? 102.454 -3.127 23.617  1 93.642  ? 157 B 1 .
ATOM 5076 C CG   . ARG Bxp B 136 ? 102.516 -1.763 22.961  1 93.859  ? 157 B 1 .
ATOM 5077 C CD   . ARG Bxp B 136 ? 103.282 -1.855 21.651  1 91.743  ? 157 B 1 .
ATOM 5078 N NE   . ARG Bxp B 136 ? 103.092 -0.656 20.833  1 84.209  ? 157 B 1 .
ATOM 5079 C CZ   . ARG Bxp B 136 ? 103.415 -0.531 19.564  1 78.822  ? 157 B 1 .
ATOM 5080 N NH1  . ARG Bxp B 136 ? 103.979 -1.529 18.924  1 76.711  ? 157 B 1 .
ATOM 5081 N NH2  . ARG Bxp B 136 ? 103.144 0.589  18.926  1 84.435  ? 157 B 1 .
ATOM 5082 H H    . ARG Bxp B 136 ? 103.287 -2.998 26.23   1 98.199  ? 157 B 1 c
ATOM 5083 H HA   . ARG Bxp B 136 ? 100.855 -2.637 24.866  1 97.797  ? 157 B 1 c
ATOM 5084 H HB3  . ARG Bxp B 136 ? 102.021 -3.752 22.998  1 94.86   ? 157 B 1 c
ATOM 5085 H HB2  . ARG Bxp B 136 ? 103.368 -3.446 23.768  1 94.581  ? 157 B 1 c
ATOM 5086 H HG3  . ARG Bxp B 136 ? 102.959 -1.126 23.559  1 93.321  ? 157 B 1 c
ATOM 5087 H HG2  . ARG Bxp B 136 ? 101.608 -1.443 22.781  1 93.17   ? 157 B 1 c
ATOM 5088 H HD3  . ARG Bxp B 136 ? 102.977 -2.639 21.151  1 90.32   ? 157 B 1 c
ATOM 5089 H HD2  . ARG Bxp B 136 ? 104.236 -1.969 21.84   1 90.274  ? 157 B 1 c
ATOM 5090 H HE   . ARG Bxp B 136 ? 102.734 0.04   21.217  1 84.625  ? 157 B 1 c
ATOM 5091 H HH11 . ARG Bxp B 136 ? 104.786 -1.801 19.16   1 77.354  ? 157 B 1 c
ATOM 5092 H HH12 . ARG Bxp B 136 ? 103.549 -1.923 18.26   1 77.354  ? 157 B 1 c
ATOM 5093 H HH21 . ARG Bxp B 136 ? 102.353 0.972  19.029  1 82.666  ? 157 B 1 c
ATOM 5094 H HH22 . ARG Bxp B 136 ? 103.753 0.953  18.399  1 82.666  ? 157 B 1 c
ATOM 5095 N N    . ASP Bxp B 137 ? 102.313 -5.184 26.091  1 102.581 ? 158 B 1 .
ATOM 5096 C CA   . ASP Bxp B 137 ? 102.161 -6.539 26.577  1 95.771  ? 158 B 1 .
ATOM 5097 C C    . ASP Bxp B 137 ? 101.331 -6.484 27.854  1 102.14  ? 158 B 1 .
ATOM 5098 O O    . ASP Bxp B 137 ? 100.808 -7.506 28.298  1 112.008 ? 158 B 1 .
ATOM 5099 C CB   . ASP Bxp B 137 ? 103.526 -7.197 26.714  1 95.764  ? 158 B 1 .
ATOM 5100 C CG   . ASP Bxp B 137 ? 104.397 -7.139 25.464  1 93.414  ? 158 B 1 .
ATOM 5101 O OD1  . ASP Bxp B 137 ? 103.839 -6.826 24.396  1 91.563  ? 158 B 1 .
ATOM 5102 O OD2  . ASP Bxp B 137 ? 105.629 -7.37  25.571  1 86.216  ? 158 B 1 .
ATOM 5103 H H    . ASP Bxp B 137 ? 103.091 -4.744 26.277  1 100.032 ? 158 B 1 c
ATOM 5104 H HA   . ASP Bxp B 137 ? 101.659 -7.053 25.905  1 98.071  ? 158 B 1 c
ATOM 5105 H HB3  . ASP Bxp B 137 ? 103.399 -8.138 26.954  1 95.222  ? 158 B 1 c
ATOM 5106 H HB2  . ASP Bxp B 137 ? 104.013 -6.762 27.445  1 95.222  ? 158 B 1 c
ATOM 5107 N N    . ARG Bxp B 138 ? 101.217 -5.281 28.435  1 99.739  ? 159 B 1 .
ATOM 5108 C CA   . ARG Bxp B 138 ? 100.297 -5.065 29.538  1 93.69   ? 159 B 1 .
ATOM 5109 C C    . ARG Bxp B 138 ? 98.988  -4.498 28.989  1 98.197  ? 159 B 1 .
ATOM 5110 O O    . ARG Bxp B 138 ? 98.137  -4.051 29.749  1 102.225 ? 159 B 1 .
ATOM 5111 C CB   . ARG Bxp B 138 ? 100.894 -4.161 30.621  1 87.398  ? 159 B 1 .
ATOM 5112 C CG   . ARG Bxp B 138 ? 100.642 -2.675 30.424  1 101.839 ? 159 B 1 .
ATOM 5113 C CD   . ARG Bxp B 138 ? 100.597 -1.951 31.768  1 113.812 ? 159 B 1 .
ATOM 5114 N NE   . ARG Bxp B 138 ? 100.349 -0.506 31.654  1 117.062 ? 159 B 1 .
ATOM 5115 C CZ   . ARG Bxp B 138 ? 100.055 0.32   32.656  1 103.42  ? 159 B 1 .
ATOM 5116 N NH1  . ARG Bxp B 138 ? 99.828  -0.162 33.862  1 103.135 ? 159 B 1 .
ATOM 5117 N NH2  . ARG Bxp B 138 ? 99.967  1.622  32.447  1 103.903 ? 159 B 1 .
ATOM 5118 H H    . ARG Bxp B 138 ? 101.738 -4.585 28.155  1 98.905  ? 159 B 1 c
ATOM 5119 H HA   . ARG Bxp B 138 ? 100.101 -5.942 29.955  1 94.587  ? 159 B 1 c
ATOM 5120 H HB3  . ARG Bxp B 138 ? 101.862 -4.313 30.653  1 92      ? 159 B 1 c
ATOM 5121 H HB2  . ARG Bxp B 138 ? 100.524 -4.431 31.488  1 92.189  ? 159 B 1 c
ATOM 5122 H HG3  . ARG Bxp B 138 ? 99.795  -2.532 29.955  1 100.885 ? 159 B 1 c
ATOM 5123 H HG2  . ARG Bxp B 138 ? 101.363 -2.293 29.878  1 100.866 ? 159 B 1 c
ATOM 5124 H HD3  . ARG Bxp B 138 ? 101.448 -2.093 32.229  1 111.696 ? 159 B 1 c
ATOM 5125 H HD2  . ARG Bxp B 138 ? 99.892  -2.353 32.316  1 111.542 ? 159 B 1 c
ATOM 5126 H HE   . ARG Bxp B 138 ? 100.417 -0.151 30.865  1 112.238 ? 159 B 1 c
ATOM 5127 H HH11 . ARG Bxp B 138 ? 100.482 -0.557 34.307  1 103.277 ? 159 B 1 c
ATOM 5128 H HH12 . ARG Bxp B 138 ? 99.023  -0.088 34.22   1 103.236 ? 159 B 1 c
ATOM 5129 H HH21 . ARG Bxp B 138 ? 100.526 2.016  31.887  1 103.818 ? 159 B 1 c
ATOM 5130 H HH22 . ARG Bxp B 138 ? 99.349  2.093  32.869  1 103.769 ? 159 B 1 c
ATOM 5131 N N    . GLY Bxp B 139 ? 98.848  -4.471 27.661  1 99.736  ? 160 B 1 .
ATOM 5132 C CA   . GLY Bxp B 139 ? 97.579  -4.177 27.013  1 89.977  ? 160 B 1 .
ATOM 5133 C C    . GLY Bxp B 139 ? 97.277  -2.681 26.913  1 91.958  ? 160 B 1 .
ATOM 5134 O O    . GLY Bxp B 139 ? 96.262  -2.31  26.331  1 104.165 ? 160 B 1 .
ATOM 5135 H H    . GLY Bxp B 139 ? 99.574  -4.632 27.132  1 97.131  ? 160 B 1 c
ATOM 5136 H HA3  . GLY Bxp B 139 ? 96.856  -4.62  27.516  1 92.743  ? 160 B 1 c
ATOM 5137 H HA2  . GLY Bxp B 139 ? 97.591  -4.564 26.106  1 92.683  ? 160 B 1 c
ATOM 5138 N N    . ALA Bxp B 140 ? 98.174  -1.826 27.43   1 88.988  ? 161 B 1 .
ATOM 5139 C CA   . ALA Bxp B 140 ? 97.891  -0.412 27.656  1 90.59   ? 161 B 1 .
ATOM 5140 C C    . ALA Bxp B 140 ? 98.113  0.47   26.414  1 92.177  ? 161 B 1 .
ATOM 5141 O O    . ALA Bxp B 140 ? 97.627  1.597  26.372  1 81.96   ? 161 B 1 .
ATOM 5142 C CB   . ALA Bxp B 140 ? 98.719  0.072  28.837  1 92.314  ? 161 B 1 .
ATOM 5143 H H    . ALA Bxp B 140 ? 99.009  -2.135 27.633  1 90.193  ? 161 B 1 c
ATOM 5144 H HA   . ALA Bxp B 140 ? 96.928  -0.337 27.904  1 90.947  ? 161 B 1 c
ATOM 5145 H HB3  . ALA Bxp B 140 ? 98.584  1.026  28.962  1 91.862  ? 161 B 1 c
ATOM 5146 H HB2  . ALA Bxp B 140 ? 99.661  -0.1   28.668  1 91.942  ? 161 B 1 c
ATOM 5147 H HB1  . ALA Bxp B 140 ? 98.446  -0.399 29.642  1 91.961  ? 161 B 1 c
ATOM 5148 N N    . ALA Bxp B 141 ? 98.858  -0.002 25.406  1 94.947  ? 162 B 1 .
ATOM 5149 C CA   . ALA Bxp B 141 ? 99.093  0.784  24.201  1 82.79   ? 162 B 1 .
ATOM 5150 C C    . ALA Bxp B 141 ? 98.812  -0.052 22.958  1 72.326  ? 162 B 1 .
ATOM 5151 O O    . ALA Bxp B 141 ? 99.348  -1.143 22.825  1 77.556  ? 162 B 1 .
ATOM 5152 C CB   . ALA Bxp B 141 ? 100.524 1.265  24.183  1 90.43   ? 162 B 1 .
ATOM 5153 H H    . ALA Bxp B 141 ? 99.234  -0.833 25.471  1 91.393  ? 162 B 1 c
ATOM 5154 H HA   . ALA Bxp B 141 ? 98.48   1.567  24.206  1 83.982  ? 162 B 1 c
ATOM 5155 H HB3  . ALA Bxp B 141 ? 100.621 1.975  23.527  1 88.106  ? 162 B 1 c
ATOM 5156 H HB2  . ALA Bxp B 141 ? 101.115 0.53   23.949  1 88.094  ? 162 B 1 c
ATOM 5157 H HB1  . ALA Bxp B 141 ? 100.766 1.604  25.061  1 88.167  ? 162 B 1 c
ATOM 5158 N N    . PRO Bxp B 142 ? 98.055  0.454  21.964  1 66.945  ? 163 B 1 .
ATOM 5159 C CA   . PRO Bxp B 142 ? 97.727  -0.325 20.775  1 71.891  ? 163 B 1 .
ATOM 5160 C C    . PRO Bxp B 142 ? 98.941  -0.715 19.938  1 73.829  ? 163 B 1 .
ATOM 5161 O O    . PRO Bxp B 142 ? 99.877  0.061  19.839  1 79.169  ? 163 B 1 .
ATOM 5162 C CB   . PRO Bxp B 142 ? 96.84   0.62   19.968  1 73.231  ? 163 B 1 .
ATOM 5163 C CG   . PRO Bxp B 142 ? 97.202  2.004  20.455  1 66.707  ? 163 B 1 .
ATOM 5164 C CD   . PRO Bxp B 142 ? 97.542  1.828  21.901  1 68.01   ? 163 B 1 .
ATOM 5165 H HA   . PRO Bxp B 142 ? 97.225  -1.126 21.031  1 71.583  ? 163 B 1 c
ATOM 5166 H HB3  . PRO Bxp B 142 ? 95.895  0.432  20.131  1 71.476  ? 163 B 1 c
ATOM 5167 H HB2  . PRO Bxp B 142 ? 97.015  0.532  19.01   1 71.595  ? 163 B 1 c
ATOM 5168 H HG3  . PRO Bxp B 142 ? 96.448  2.618  20.351  1 68.31   ? 163 B 1 c
ATOM 5169 H HG2  . PRO Bxp B 142 ? 97.968  2.358  19.962  1 68.407  ? 163 B 1 c
ATOM 5170 H HD3  . PRO Bxp B 142 ? 98.225  2.467  22.182  1 67.64   ? 163 B 1 c
ATOM 5171 H HD2  . PRO Bxp B 142 ? 96.752  1.929  22.467  1 67.499  ? 163 B 1 c
ATOM 5172 N N    . ARG Bxp B 143 ? 98.904  -1.903 19.323  1 89.147  ? 164 B 1 .
ATOM 5173 C CA   . ARG Bxp B 143 ? 99.958  -2.362 18.427  1 95.776  ? 164 B 1 .
ATOM 5174 C C    . ARG Bxp B 143 ? 99.77   -1.723 17.058  1 97.741  ? 164 B 1 .
ATOM 5175 O O    . ARG Bxp B 143 ? 99.276  -2.384 16.139  1 91.244  ? 164 B 1 .
ATOM 5176 C CB   . ARG Bxp B 143 ? 100.003 -3.887 18.258  1 91.342  ? 164 B 1 .
ATOM 5177 C CG   . ARG Bxp B 143 ? 100.527 -4.531 19.528  1 93.76   ? 164 B 1 .
ATOM 5178 C CD   . ARG Bxp B 143 ? 100.263 -6.02  19.624  1 89.81   ? 164 B 1 .
ATOM 5179 N NE   . ARG Bxp B 143 ? 100.636 -6.544 20.946  1 92.097  ? 164 B 1 .
ATOM 5180 C CZ   . ARG Bxp B 143 ? 101.867 -6.582 21.462  1 92.7    ? 164 B 1 .
ATOM 5181 N NH1  . ARG Bxp B 143 ? 102.882 -6.029 20.818  1 110.915 ? 164 B 1 .
ATOM 5182 N NH2  . ARG Bxp B 143 ? 102.087 -7.179 22.617  1 79.055  ? 164 B 1 .
ATOM 5183 H H    . ARG Bxp B 143 ? 98.188  -2.452 19.468  1 86.362  ? 164 B 1 c
ATOM 5184 H HA   . ARG Bxp B 143 ? 100.829 -2.066 18.795  1 93.807  ? 164 B 1 c
ATOM 5185 H HB3  . ARG Bxp B 143 ? 100.59  -4.123 17.508  1 92.886  ? 164 B 1 c
ATOM 5186 H HB2  . ARG Bxp B 143 ? 99.103  -4.227 18.066  1 92.865  ? 164 B 1 c
ATOM 5187 H HG3  . ARG Bxp B 143 ? 100.117 -4.089 20.303  1 92.311  ? 164 B 1 c
ATOM 5188 H HG2  . ARG Bxp B 143 ? 101.495 -4.378 19.582  1 92.393  ? 164 B 1 c
ATOM 5189 H HD3  . ARG Bxp B 143 ? 100.777 -6.487 18.934  1 91.226  ? 164 B 1 c
ATOM 5190 H HD2  . ARG Bxp B 143 ? 99.312  -6.192 19.464  1 91.226  ? 164 B 1 c
ATOM 5191 H HE   . ARG Bxp B 143 ? 99.994  -6.86  21.444  1 91.604  ? 164 B 1 c
ATOM 5192 H HH11 . ARG Bxp B 143 ? 103.155 -6.374 20.051  1 104.949 ? 164 B 1 c
ATOM 5193 H HH12 . ARG Bxp B 143 ? 103.282 -5.318 21.158  1 104.949 ? 164 B 1 c
ATOM 5194 H HH21 . ARG Bxp B 143 ? 101.761 -7.987 22.763  1 83.041  ? 164 B 1 c
ATOM 5195 H HH22 . ARG Bxp B 143 ? 102.561 -6.767 23.239  1 83.081  ? 164 B 1 c
ATOM 5196 N N    . THR Bxp B 144 ? 100.205 -0.456 16.944  1 98.688  ? 165 B 1 .
ATOM 5197 C CA   . THR Bxp B 144 ? 100.115 0.298  15.699  1 101.026 ? 165 B 1 .
ATOM 5198 C C    . THR Bxp B 144 ? 101.431 0.154  14.938  1 83.554  ? 165 B 1 .
ATOM 5199 O O    . THR Bxp B 144 ? 101.505 -0.553 13.934  1 84.967  ? 165 B 1 .
ATOM 5200 C CB   . THR Bxp B 144 ? 99.766  1.775  15.937  1 102.237 ? 165 B 1 .
ATOM 5201 O OG1  . THR Bxp B 144 ? 100.563 2.255  17.012  1 106.559 ? 165 B 1 .
ATOM 5202 C CG2  . THR Bxp B 144 ? 98.31   2.003  16.311  1 104.86  ? 165 B 1 .
ATOM 5203 H H    . THR Bxp B 144 ? 100.574 -0.048 17.674  1 98.765  ? 165 B 1 c
ATOM 5204 H HA   . THR Bxp B 144 ? 99.4    -0.098 15.155  1 97.281  ? 165 B 1 c
ATOM 5205 H HB   . THR Bxp B 144 ? 99.971  2.296  15.124  1 103.212 ? 165 B 1 c
ATOM 5206 H HG1  . THR Bxp B 144 ? 100.464 1.73   17.907  0 60      ? 165 B 1 c
ATOM 5207 H HG21 . THR Bxp B 144 ? 98.164  2.947  16.489  1 103.692 ? 165 B 1 c
ATOM 5208 H HG22 . THR Bxp B 144 ? 98.095  1.488  17.107  1 103.732 ? 165 B 1 c
ATOM 5209 H HG23 . THR Bxp B 144 ? 97.738  1.72   15.578  1 103.937 ? 165 B 1 c
ATOM 5210 N N    . LEU Bxp B 145 ? 102.45  0.864  15.417  1 69.891  ? 166 B 1 .
ATOM 5211 C CA   . LEU Bxp B 145 ? 103.704 0.986  14.71   1 73.094  ? 166 B 1 .
ATOM 5212 C C    . LEU Bxp B 145 ? 104.72  0.133  15.434  1 63.158  ? 166 B 1 .
ATOM 5213 O O    . LEU Bxp B 145 ? 104.594 -0.095 16.627  1 56.185  ? 166 B 1 .
ATOM 5214 C CB   . LEU Bxp B 145 ? 104.221 2.422  14.673  1 83.8    ? 166 B 1 .
ATOM 5215 C CG   . LEU Bxp B 145 ? 103.617 3.352  13.624  1 82.66   ? 166 B 1 .
ATOM 5216 C CD1  . LEU Bxp B 145 ? 103.966 4.777  14.007  1 76.77   ? 166 B 1 .
ATOM 5217 C CD2  . LEU Bxp B 145 ? 104.135 2.982  12.245  1 83.882  ? 166 B 1 .
ATOM 5218 H H    . LEU Bxp B 145 ? 102.362 1.282  16.225  1 74.032  ? 166 B 1 c
ATOM 5219 H HA   . LEU Bxp B 145 ? 103.583 0.654  13.789  1 72.34   ? 166 B 1 c
ATOM 5220 H HB3  . LEU Bxp B 145 ? 105.195 2.393  14.533  1 80.741  ? 166 B 1 c
ATOM 5221 H HB2  . LEU Bxp B 145 ? 104.071 2.821  15.561  1 80.852  ? 166 B 1 c
ATOM 5222 H HG   . LEU Bxp B 145 ? 102.63  3.247  13.637  1 81.962  ? 166 B 1 c
ATOM 5223 H HD11 . LEU Bxp B 145 ? 103.399 5.064  14.742  1 78.281  ? 166 B 1 c
ATOM 5224 H HD12 . LEU Bxp B 145 ? 103.827 5.361  13.244  1 78.296  ? 166 B 1 c
ATOM 5225 H HD13 . LEU Bxp B 145 ? 104.897 4.822  14.282  1 78.427  ? 166 B 1 c
ATOM 5226 H HD21 . LEU Bxp B 145 ? 103.786 2.111  11.989  1 83.419  ? 166 B 1 c
ATOM 5227 H HD22 . LEU Bxp B 145 ? 105.106 2.949  12.26   1 83.47   ? 166 B 1 c
ATOM 5228 H HD23 . LEU Bxp B 145 ? 103.844 3.648  11.599  1 83.457  ? 166 B 1 c
ATOM 5229 N N    . PRO Bxp B 146 ? 105.765 -0.305 14.716  1 58.7    ? 167 B 1 .
ATOM 5230 C CA   . PRO Bxp B 146 ? 106.889 -0.977 15.335  1 56.697  ? 167 B 1 .
ATOM 5231 C C    . PRO Bxp B 146 ? 107.61  -0.058 16.298  1 54.64   ? 167 B 1 .
ATOM 5232 O O    . PRO Bxp B 146 ? 108.212 0.911  15.877  1 62.061  ? 167 B 1 .
ATOM 5233 C CB   . PRO Bxp B 146 ? 107.76  -1.352 14.151  1 60.985  ? 167 B 1 .
ATOM 5234 C CG   . PRO Bxp B 146 ? 106.79  -1.323 12.973  1 60.799  ? 167 B 1 .
ATOM 5235 C CD   . PRO Bxp B 146 ? 105.887 -0.192 13.258  1 58.01   ? 167 B 1 .
ATOM 5236 H HA   . PRO Bxp B 146 ? 106.582 -1.783 15.8    1 57.512  ? 167 B 1 c
ATOM 5237 H HB3  . PRO Bxp B 146 ? 108.143 -2.243 14.267  1 59.964  ? 167 B 1 c
ATOM 5238 H HB2  . PRO Bxp B 146 ? 108.482 -0.707 14.024  1 60.039  ? 167 B 1 c
ATOM 5239 H HG3  . PRO Bxp B 146 ? 106.286 -2.159 12.915  1 60.178  ? 167 B 1 c
ATOM 5240 H HG2  . PRO Bxp B 146 ? 107.266 -1.18  12.131  1 60.178  ? 167 B 1 c
ATOM 5241 H HD3  . PRO Bxp B 146 ? 106.283 0.664  13.004  1 59.226  ? 167 B 1 c
ATOM 5242 H HD2  . PRO Bxp B 146 ? 105.025 -0.303 12.817  1 59.24   ? 167 B 1 c
ATOM 5243 N N    . ALA Bxp B 147 ? 107.513 -0.363 17.586  1 61.892  ? 168 B 1 .
ATOM 5244 C CA   . ALA Bxp B 147 ? 108.151 0.419  18.636  1 71.136  ? 168 B 1 .
ATOM 5245 C C    . ALA Bxp B 147 ? 109.42  1.144  18.173  1 78.617  ? 168 B 1 .
ATOM 5246 O O    . ALA Bxp B 147 ? 109.457 2.375  18.218  1 83.621  ? 168 B 1 .
ATOM 5247 C CB   . ALA Bxp B 147 ? 108.446 -0.484 19.796  1 71.461  ? 168 B 1 .
ATOM 5248 H H    . ALA Bxp B 147 ? 107.022 -1.095 17.83   1 61.982  ? 168 B 1 c
ATOM 5249 H HA   . ALA Bxp B 147 ? 107.499 1.112  18.933  1 70.637  ? 168 B 1 c
ATOM 5250 H HB3  . ALA Bxp B 147 ? 108.914 0.013  20.488  1 71.415  ? 168 B 1 c
ATOM 5251 H HB2  . ALA Bxp B 147 ? 109.003 -1.224 19.501  1 71.428  ? 168 B 1 c
ATOM 5252 H HB1  . ALA Bxp B 147 ? 107.615 -0.833 20.159  1 71.386  ? 168 B 1 c
ATOM 5253 N N    . HIS Bxp B 148 ? 110.444 0.389  17.732  1 80.32   ? 169 B 1 .
ATOM 5254 C CA   . HIS Bxp B 148 ? 111.738 0.958  17.372  1 80.381  ? 169 B 1 .
ATOM 5255 C C    . HIS Bxp B 148 ? 111.576 2.141  16.414  1 74.836  ? 169 B 1 .
ATOM 5256 O O    . HIS Bxp B 148 ? 112.103 3.226  16.643  1 74.906  ? 169 B 1 .
ATOM 5257 C CB   . HIS Bxp B 148 ? 112.694 -0.074 16.751  1 89.173  ? 169 B 1 .
ATOM 5258 C CG   . HIS Bxp B 148 ? 114.134 0.319  16.921  1 94.718  ? 169 B 1 .
ATOM 5259 N ND1  . HIS Bxp B 148 ? 114.988 -0.308 17.804  1 107.74  ? 169 B 1 .
ATOM 5260 C CD2  . HIS Bxp B 148 ? 114.858 1.295  16.361  1 95.847  ? 169 B 1 .
ATOM 5261 C CE1  . HIS Bxp B 148 ? 116.175 0.282  17.783  1 98.227  ? 169 B 1 .
ATOM 5262 N NE2  . HIS Bxp B 148 ? 116.115 1.262  16.916  1 96.344  ? 169 B 1 .
ATOM 5263 H H    . HIS Bxp B 148 ? 110.326 -0.514 17.652  1 79.869  ? 169 B 1 c
ATOM 5264 H HA   . HIS Bxp B 148 ? 112.149 1.296  18.206  1 80.905  ? 169 B 1 c
ATOM 5265 H HB3  . HIS Bxp B 148 ? 112.493 -0.163 15.794  1 88.158  ? 169 B 1 c
ATOM 5266 H HB2  . HIS Bxp B 148 ? 112.546 -0.945 17.182  1 88.244  ? 169 B 1 c
ATOM 5267 H HD1  . HIS Bxp B 148 ? 114.7   -1.027 18.459  0 60      ? 169 B 1 c
ATOM 5268 H HD2  . HIS Bxp B 148 ? 114.56  1.915  15.725  1 95.736  ? 169 B 1 c
ATOM 5269 H HE1  . HIS Bxp B 148 ? 116.931 0.029  18.285  1 99.814  ? 169 B 1 c
ATOM 5270 H HE2  . HIS Bxp B 148 ? 116.749 1.746  16.844  0 60      ? 169 B 1 c
ATOM 5271 N N    . GLU Bxp B 149 ? 110.859 1.931  15.317  1 72.745  ? 170 B 1 .
ATOM 5272 C CA   . GLU Bxp B 149 ? 110.633 3.011  14.373  1 78.583  ? 170 B 1 .
ATOM 5273 C C    . GLU Bxp B 149 ? 109.954 4.18   15.088  1 75.702  ? 170 B 1 .
ATOM 5274 O O    . GLU Bxp B 149 ? 110.512 5.264  15.194  1 69.325  ? 170 B 1 .
ATOM 5275 C CB   . GLU Bxp B 149 ? 109.794 2.517  13.199  1 83.187  ? 170 B 1 .
ATOM 5276 C CG   . GLU Bxp B 149 ? 110.371 1.27   12.536  1 80.265  ? 170 B 1 .
ATOM 5277 C CD   . GLU Bxp B 149 ? 109.612 0.908  11.282  1 75.123  ? 170 B 1 .
ATOM 5278 O OE1  . GLU Bxp B 149 ? 108.645 1.607  10.883  1 77.967  ? 170 B 1 .
ATOM 5279 O OE2  . GLU Bxp B 149 ? 110.037 -0.094 10.697  1 68.81   ? 170 B 1 .
ATOM 5280 H H    . GLU Bxp B 149 ? 110.49  1.109  15.162  1 74.723  ? 170 B 1 c
ATOM 5281 H HA   . GLU Bxp B 149 ? 111.512 3.316  14.032  1 77.669  ? 170 B 1 c
ATOM 5282 H HB3  . GLU Bxp B 149 ? 109.729 3.235  12.535  1 81.397  ? 170 B 1 c
ATOM 5283 H HB2  . GLU Bxp B 149 ? 108.888 2.318  13.513  1 81.445  ? 170 B 1 c
ATOM 5284 H HG3  . GLU Bxp B 149 ? 110.329 0.515  13.16   1 79.459  ? 170 B 1 c
ATOM 5285 H HG2  . GLU Bxp B 149 ? 111.312 1.427  12.306  1 79.646  ? 170 B 1 c
ATOM 5286 N N    . LEU Bxp B 150 ? 108.756 3.933  15.613  1 83.108  ? 171 B 1 .
ATOM 5287 C CA   . LEU Bxp B 150 ? 108.014 4.946  16.338  1 81.372  ? 171 B 1 .
ATOM 5288 C C    . LEU Bxp B 150 ? 108.949 5.655  17.304  1 76.092  ? 171 B 1 .
ATOM 5289 O O    . LEU Bxp B 150 ? 108.974 6.877  17.354  1 99.105  ? 171 B 1 .
ATOM 5290 C CB   . LEU Bxp B 150 ? 106.845 4.348  17.115  1 82.132  ? 171 B 1 .
ATOM 5291 C CG   . LEU Bxp B 150 ? 106.183 5.312  18.103  1 75.41   ? 171 B 1 .
ATOM 5292 C CD1  . LEU Bxp B 150 ? 105.605 6.487  17.335  1 75.998  ? 171 B 1 .
ATOM 5293 C CD2  . LEU Bxp B 150 ? 105.125 4.651  18.948  1 67.248  ? 171 B 1 .
ATOM 5294 H H    . LEU Bxp B 150 ? 108.39  3.1    15.526  1 80.854  ? 171 B 1 c
ATOM 5295 H HA   . LEU Bxp B 150 ? 107.669 5.607  15.684  1 80.822  ? 171 B 1 c
ATOM 5296 H HB3  . LEU Bxp B 150 ? 107.172 3.564  17.613  1 80.396  ? 171 B 1 c
ATOM 5297 H HB2  . LEU Bxp B 150 ? 106.167 4.043  16.469  1 80.358  ? 171 B 1 c
ATOM 5298 H HG   . LEU Bxp B 150 ? 106.882 5.66   18.714  1 75.074  ? 171 B 1 c
ATOM 5299 H HD11 . LEU Bxp B 150 ? 106.317 7.106  17.105  1 75.847  ? 171 B 1 c
ATOM 5300 H HD12 . LEU Bxp B 150 ? 104.947 6.943  17.886  1 75.79   ? 171 B 1 c
ATOM 5301 H HD13 . LEU Bxp B 150 ? 105.179 6.168  16.522  1 75.883  ? 171 B 1 c
ATOM 5302 H HD21 . LEU Bxp B 150 ? 105.504 3.875  19.395  1 69.581  ? 171 B 1 c
ATOM 5303 H HD22 . LEU Bxp B 150 ? 104.386 4.37   18.383  1 69.581  ? 171 B 1 c
ATOM 5304 H HD23 . LEU Bxp B 150 ? 104.801 5.281  19.614  1 69.581  ? 171 B 1 c
ATOM 5305 N N    . ALA Bxp B 151 ? 109.677 4.867  18.094  1 66.289  ? 172 B 1 .
ATOM 5306 C CA   . ALA Bxp B 151 ? 110.552 5.404  19.121  1 64.723  ? 172 B 1 .
ATOM 5307 C C    . ALA Bxp B 151 ? 111.566 6.346  18.497  1 57.468  ? 172 B 1 .
ATOM 5308 O O    . ALA Bxp B 151 ? 111.896 7.372  19.074  1 48.717  ? 172 B 1 .
ATOM 5309 C CB   . ALA Bxp B 151 ? 111.246 4.281  19.864  1 69.654  ? 172 B 1 .
ATOM 5310 H H    . ALA Bxp B 151 ? 109.623 3.96   17.994  1 68.55   ? 172 B 1 c
ATOM 5311 H HA   . ALA Bxp B 151 ? 109.996 5.926  19.763  1 64.473  ? 172 B 1 c
ATOM 5312 H HB3  . ALA Bxp B 151 ? 111.889 4.651  20.492  1 67.988  ? 172 B 1 c
ATOM 5313 H HB2  . ALA Bxp B 151 ? 111.709 3.707  19.232  1 68.139  ? 172 B 1 c
ATOM 5314 H HB1  . ALA Bxp B 151 ? 110.588 3.755  20.35   1 68.067  ? 172 B 1 c
ATOM 5315 N N    . THR Bxp B 152 ? 112.05  5.969  17.311  1 69.864  ? 173 B 1 .
ATOM 5316 C CA   . THR Bxp B 152 ? 113.09  6.721  16.62   1 73.14   ? 173 B 1 .
ATOM 5317 C C    . THR Bxp B 152 ? 112.596 8.096  16.18   1 73.065  ? 173 B 1 .
ATOM 5318 O O    . THR Bxp B 152 ? 113.261 9.089  16.433  1 89.066  ? 173 B 1 .
ATOM 5319 C CB   . THR Bxp B 152 ? 113.607 5.959  15.406  1 64.594  ? 173 B 1 .
ATOM 5320 O OG1  . THR Bxp B 152 ? 114.102 4.725  15.92   1 59.713  ? 173 B 1 .
ATOM 5321 C CG2  . THR Bxp B 152 ? 114.677 6.76   14.689  1 63.696  ? 173 B 1 .
ATOM 5322 H H    . THR Bxp B 152 ? 111.737 5.203  16.924  1 67.41   ? 173 B 1 c
ATOM 5323 H HA   . THR Bxp B 152 ? 113.831 6.847  17.243  1 70.8    ? 173 B 1 c
ATOM 5324 H HB   . THR Bxp B 152 ? 112.866 5.78   14.78   1 65.023  ? 173 B 1 c
ATOM 5325 H HG1  . THR Bxp B 152 ? 114.783 4.811  16.486  0 43.86   ? 173 B 1 c
ATOM 5326 H HG21 . THR Bxp B 152 ? 115.285 6.154  14.235  1 64.066  ? 173 B 1 c
ATOM 5327 H HG22 . THR Bxp B 152 ? 115.174 7.293  15.332  1 64.275  ? 173 B 1 c
ATOM 5328 H HG23 . THR Bxp B 152 ? 114.26  7.348  14.036  1 64.193  ? 173 B 1 c
ATOM 5329 N N    . ALA Bxp B 153 ? 111.465 8.143  15.475  1 65.015  ? 174 B 1 .
ATOM 5330 C CA   . ALA Bxp B 153 ? 110.873 9.413  15.097  1 59.747  ? 174 B 1 .
ATOM 5331 C C    . ALA Bxp B 153 ? 110.732 10.33  16.313  1 55.646  ? 174 B 1 .
ATOM 5332 O O    . ALA Bxp B 153 ? 111.153 11.47  16.256  1 62.633  ? 174 B 1 .
ATOM 5333 C CB   . ALA Bxp B 153 ? 109.552 9.175  14.425  1 60.919  ? 174 B 1 .
ATOM 5334 H H    . ALA Bxp B 153 ? 111.055 7.366  15.222  1 65.629  ? 174 B 1 c
ATOM 5335 H HA   . ALA Bxp B 153 ? 111.487 9.856  14.449  1 60.185  ? 174 B 1 c
ATOM 5336 H HB3  . ALA Bxp B 153 ? 109.124 10.027 14.236  1 60.571  ? 174 B 1 c
ATOM 5337 H HB2  . ALA Bxp B 153 ? 108.979 8.649  15.007  1 60.576  ? 174 B 1 c
ATOM 5338 H HB1  . ALA Bxp B 153 ? 109.69  8.694  13.591  1 60.569  ? 174 B 1 c
ATOM 5339 N N    . LEU Bxp B 154 ? 110.166 9.835  17.416  1 57.676  ? 175 B 1 .
ATOM 5340 C CA   . LEU Bxp B 154 ? 110.033 10.61  18.638  1 59.719  ? 175 B 1 .
ATOM 5341 C C    . LEU Bxp B 154 ? 111.418 11.08  19.055  1 60.235  ? 175 B 1 .
ATOM 5342 O O    . LEU Bxp B 154 ? 111.729 12.26  19.005  1 59.469  ? 175 B 1 .
ATOM 5343 C CB   . LEU Bxp B 154 ? 109.384 9.812  19.771  1 63.837  ? 175 B 1 .
ATOM 5344 C CG   . LEU Bxp B 154 ? 107.963 9.293  19.532  1 72.901  ? 175 B 1 .
ATOM 5345 C CD1  . LEU Bxp B 154 ? 107.146 9.558  20.78   1 84.32   ? 175 B 1 .
ATOM 5346 C CD2  . LEU Bxp B 154 ? 107.239 9.866  18.321  1 76.073  ? 175 B 1 .
ATOM 5347 H H    . LEU Bxp B 154 ? 109.858 8.974  17.407  1 57.926  ? 175 B 1 c
ATOM 5348 H HA   . LEU Bxp B 154 ? 109.479 11.407 18.442  1 60.286  ? 175 B 1 c
ATOM 5349 H HB3  . LEU Bxp B 154 ? 109.377 10.381 20.574  1 65.078  ? 175 B 1 c
ATOM 5350 H HB2  . LEU Bxp B 154 ? 109.96  9.04   19.972  1 64.761  ? 175 B 1 c
ATOM 5351 H HG   . LEU Bxp B 154 ? 108.016 8.31   19.412  1 73.796  ? 175 B 1 c
ATOM 5352 H HD11 . LEU Bxp B 154 ? 107.495 9.028  21.516  1 80.877  ? 175 B 1 c
ATOM 5353 H HD12 . LEU Bxp B 154 ? 106.219 9.32   20.618  1 80.788  ? 175 B 1 c
ATOM 5354 H HD13 . LEU Bxp B 154 ? 107.202 10.499 21.004  1 80.558  ? 175 B 1 c
ATOM 5355 H HD21 . LEU Bxp B 154 ? 107.689 9.583  17.51   1 74.46   ? 175 B 1 c
ATOM 5356 H HD22 . LEU Bxp B 154 ? 107.238 10.836 18.37   1 74.782  ? 175 B 1 c
ATOM 5357 H HD23 . LEU Bxp B 154 ? 106.322 9.543  18.309  1 74.966  ? 175 B 1 c
ATOM 5358 N N    . ASN Bxp B 155 ? 112.268 10.13  19.429  1 64.609  ? 176 B 1 .
ATOM 5359 C CA   . ASN Bxp B 155 ? 113.61  10.441 19.893  1 65.584  ? 176 B 1 .
ATOM 5360 C C    . ASN Bxp B 155 ? 114.266 11.492 18.981  1 66.221  ? 176 B 1 .
ATOM 5361 O O    . ASN Bxp B 155 ? 114.754 12.492 19.478  1 64.607  ? 176 B 1 .
ATOM 5362 C CB   . ASN Bxp B 155 ? 114.408 9.152  20.081  1 64.978  ? 176 B 1 .
ATOM 5363 C CG   . ASN Bxp B 155 ? 114.261 8.577  21.474  1 67.632  ? 176 B 1 .
ATOM 5364 O OD1  . ASN Bxp B 155 ? 114.789 9.147  22.429  1 73.474  ? 176 B 1 .
ATOM 5365 N ND2  . ASN Bxp B 155 ? 113.574 7.458  21.64   1 73.037  ? 176 B 1 .
ATOM 5366 H H    . ASN Bxp B 155 ? 112.011 9.254  19.382  1 63.759  ? 176 B 1 c
ATOM 5367 H HA   . ASN Bxp B 155 ? 113.519 10.849 20.784  1 65.442  ? 176 B 1 c
ATOM 5368 H HB3  . ASN Bxp B 155 ? 115.354 9.335  19.912  1 65.716  ? 176 B 1 c
ATOM 5369 H HB2  . ASN Bxp B 155 ? 114.11  8.49   19.427  1 65.7    ? 176 B 1 c
ATOM 5370 H HD21 . ASN Bxp B 155 ? 113.651 7.003  22.397  1 71.255  ? 176 B 1 c
ATOM 5371 H HD22 . ASN Bxp B 155 ? 113.037 7.165  20.998  1 71.223  ? 176 B 1 c
ATOM 5372 N N    . LEU Bxp B 156 ? 114.267 11.296 17.652  1 64.933  ? 177 B 1 .
ATOM 5373 C CA   . LEU Bxp B 156 ? 114.9   12.223 16.72   1 58.814  ? 177 B 1 .
ATOM 5374 C C    . LEU Bxp B 156 ? 114.222 13.585 16.781  1 58.594  ? 177 B 1 .
ATOM 5375 O O    . LEU Bxp B 156 ? 114.891 14.606 16.809  1 66.372  ? 177 B 1 .
ATOM 5376 C CB   . LEU Bxp B 156 ? 114.938 11.711 15.281  1 58.574  ? 177 B 1 .
ATOM 5377 C CG   . LEU Bxp B 156 ? 115.995 10.63  15.002  1 56.733  ? 177 B 1 .
ATOM 5378 C CD1  . LEU Bxp B 156 ? 115.957 10.167 13.55   1 54.119  ? 177 B 1 .
ATOM 5379 C CD2  . LEU Bxp B 156 ? 117.412 11.077 15.387  1 54.078  ? 177 B 1 .
ATOM 5380 H H    . LEU Bxp B 156 ? 113.857 10.552 17.316  1 63.736  ? 177 B 1 c
ATOM 5381 H HA   . LEU Bxp B 156 ? 115.832 12.351 17.027  1 59.894  ? 177 B 1 c
ATOM 5382 H HB3  . LEU Bxp B 156 ? 115.11  12.475 14.684  1 58.216  ? 177 B 1 c
ATOM 5383 H HB2  . LEU Bxp B 156 ? 114.051 11.344 15.06   1 58.241  ? 177 B 1 c
ATOM 5384 H HG   . LEU Bxp B 156 ? 115.774 9.844  15.566  1 56.065  ? 177 B 1 c
ATOM 5385 H HD11 . LEU Bxp B 156 ? 115.047 9.92   13.312  1 54.876  ? 177 B 1 c
ATOM 5386 H HD12 . LEU Bxp B 156 ? 116.54  9.397  13.439  1 54.876  ? 177 B 1 c
ATOM 5387 H HD13 . LEU Bxp B 156 ? 116.258 10.887 12.971  1 54.876  ? 177 B 1 c
ATOM 5388 H HD21 . LEU Bxp B 156 ? 117.566 10.894 16.329  1 54.879  ? 177 B 1 c
ATOM 5389 H HD22 . LEU Bxp B 156 ? 117.508 12.03  15.223  1 54.869  ? 177 B 1 c
ATOM 5390 H HD23 . LEU Bxp B 156 ? 118.063 10.591 14.853  1 54.85   ? 177 B 1 c
ATOM 5391 N N    . MET Bxp B 157 ? 112.899 13.613 16.844  1 58.502  ? 178 B 1 .
ATOM 5392 C CA   . MET Bxp B 157 ? 112.199 14.876 17.03   1 61.252  ? 178 B 1 .
ATOM 5393 C C    . MET Bxp B 157 ? 112.814 15.648 18.198  1 54.479  ? 178 B 1 .
ATOM 5394 O O    . MET Bxp B 157 ? 113.193 16.802 18.033  1 56.746  ? 178 B 1 .
ATOM 5395 C CB   . MET Bxp B 157 ? 110.705 14.653 17.3    1 66.034  ? 178 B 1 .
ATOM 5396 C CG   . MET Bxp B 157 ? 109.873 15.912 17.471  1 64.463  ? 178 B 1 .
ATOM 5397 S SD   . MET Bxp B 157 ? 108.183 15.5   17.941  1 61.685  ? 178 B 1 .
ATOM 5398 C CE   . MET Bxp B 157 ? 108.476 14.925 19.62   1 59.478  ? 178 B 1 .
ATOM 5399 H H    . MET Bxp B 157 ? 112.417 12.84  16.763  1 59.207  ? 178 B 1 c
ATOM 5400 H HA   . MET Bxp B 157 ? 112.307 15.414 16.205  1 60.204  ? 178 B 1 c
ATOM 5401 H HB3  . MET Bxp B 157 ? 110.619 14.115 18.114  1 64.256  ? 178 B 1 c
ATOM 5402 H HB2  . MET Bxp B 157 ? 110.331 14.129 16.564  1 64.433  ? 178 B 1 c
ATOM 5403 H HG3  . MET Bxp B 157 ? 109.861 16.419 16.638  1 64.161  ? 178 B 1 c
ATOM 5404 H HG2  . MET Bxp B 157 ? 110.266 16.477 18.165  1 64.182  ? 178 B 1 c
ATOM 5405 H HE3  . MET Bxp B 157 ? 109.39  15.142 19.883  1 59.994  ? 178 B 1 c
ATOM 5406 H HE2  . MET Bxp B 157 ? 108.352 13.959 19.656  1 60.003  ? 178 B 1 c
ATOM 5407 H HE1  . MET Bxp B 157 ? 107.843 15.353 20.224  1 59.957  ? 178 B 1 c
ATOM 5408 N N    . ASN Bxp B 158 ? 112.888 15.008 19.369  1 47.855  ? 179 B 1 .
ATOM 5409 C CA   . ASN Bxp B 158 ? 113.47  15.617 20.553  1 50.752  ? 179 B 1 .
ATOM 5410 C C    . ASN Bxp B 158 ? 114.772 16.332 20.188  1 49.665  ? 179 B 1 .
ATOM 5411 O O    . ASN Bxp B 158 ? 114.899 17.535 20.401  1 46.975  ? 179 B 1 .
ATOM 5412 C CB   . ASN Bxp B 158 ? 113.735 14.576 21.638  1 60.342  ? 179 B 1 .
ATOM 5413 C CG   . ASN Bxp B 158 ? 112.53  14.233 22.48   1 63.638  ? 179 B 1 .
ATOM 5414 O OD1  . ASN Bxp B 158 ? 111.391 14.417 22.043  1 69.634  ? 179 B 1 .
ATOM 5415 N ND2  . ASN Bxp B 158 ? 112.765 13.722 23.681  1 65.639  ? 179 B 1 .
ATOM 5416 H H    . ASN Bxp B 158 ? 112.56  14.157 19.432  1 50.42   ? 179 B 1 c
ATOM 5417 H HA   . ASN Bxp B 158 ? 112.833 16.276 20.912  1 51.74   ? 179 B 1 c
ATOM 5418 H HB3  . ASN Bxp B 158 ? 114.442 14.908 22.226  1 58.644  ? 179 B 1 c
ATOM 5419 H HB2  . ASN Bxp B 158 ? 114.063 13.759 21.217  1 58.694  ? 179 B 1 c
ATOM 5420 H HD21 . ASN Bxp B 158 ? 112.155 13.799 24.321  1 65.051  ? 179 B 1 c
ATOM 5421 H HD22 . ASN Bxp B 158 ? 113.53  13.304 23.844  1 64.993  ? 179 B 1 c
ATOM 5422 N N    . GLU Bxp B 159 ? 115.718 15.573 19.61   1 46.185  ? 180 B 1 .
ATOM 5423 C CA   . GLU Bxp B 159 ? 117.062 16.047 19.33   1 46.194  ? 180 B 1 .
ATOM 5424 C C    . GLU Bxp B 159 ? 116.982 17.411 18.652  1 51.418  ? 180 B 1 .
ATOM 5425 O O    . GLU Bxp B 159 ? 117.398 18.443 19.192  1 50.181  ? 180 B 1 .
ATOM 5426 C CB   . GLU Bxp B 159 ? 117.797 15.021 18.463  1 46.168  ? 180 B 1 .
ATOM 5427 C CG   . GLU Bxp B 159 ? 119.244 15.402 18.163  1 52.29   ? 180 B 1 .
ATOM 5428 C CD   . GLU Bxp B 159 ? 120.018 14.507 17.207  1 60.683  ? 180 B 1 .
ATOM 5429 O OE1  . GLU Bxp B 159 ? 120.652 13.524 17.652  1 59.343  ? 180 B 1 .
ATOM 5430 O OE2  . GLU Bxp B 159 ? 119.994 14.822 15.993  1 68.361  ? 180 B 1 .
ATOM 5431 H H    . GLU Bxp B 159 ? 115.508 14.714 19.382  1 47.081  ? 180 B 1 c
ATOM 5432 H HA   . GLU Bxp B 159 ? 117.544 16.146 20.19   1 47.102  ? 180 B 1 c
ATOM 5433 H HB3  . GLU Bxp B 159 ? 117.316 14.911 17.618  1 47.677  ? 180 B 1 c
ATOM 5434 H HB2  . GLU Bxp B 159 ? 117.789 14.156 18.924  1 47.535  ? 180 B 1 c
ATOM 5435 H HG3  . GLU Bxp B 159 ? 119.737 15.434 19.011  1 52.615  ? 180 B 1 c
ATOM 5436 H HG2  . GLU Bxp B 159 ? 119.257 16.312 17.797  1 52.682  ? 180 B 1 c
ATOM 5437 N N    . ARG Bxp B 160 ? 116.387 17.399 17.463  1 54.701  ? 181 B 1 .
ATOM 5438 C CA   . ARG Bxp B 160 ? 116.29  18.595 16.652  1 58.54   ? 181 B 1 .
ATOM 5439 C C    . ARG Bxp B 160 ? 115.494 19.688 17.362  1 58.433  ? 181 B 1 .
ATOM 5440 O O    . ARG Bxp B 160 ? 115.879 20.849 17.3    1 54.211  ? 181 B 1 .
ATOM 5441 C CB   . ARG Bxp B 160 ? 115.558 18.247 15.358  1 59.818  ? 181 B 1 .
ATOM 5442 C CG   . ARG Bxp B 160 ? 115.549 19.386 14.352  1 56.86   ? 181 B 1 .
ATOM 5443 C CD   . ARG Bxp B 160 ? 116.834 19.413 13.562  1 53.767  ? 181 B 1 .
ATOM 5444 N NE   . ARG Bxp B 160 ? 116.998 20.746 12.986  1 50.943  ? 181 B 1 .
ATOM 5445 C CZ   . ARG Bxp B 160 ? 117.279 21.814 13.707  1 55.389  ? 181 B 1 .
ATOM 5446 N NH1  . ARG Bxp B 160 ? 117.462 21.697 15.006  1 65.69   ? 181 B 1 .
ATOM 5447 N NH2  . ARG Bxp B 160 ? 117.405 23     13.148  1 56.525  ? 181 B 1 .
ATOM 5448 H H    . ARG Bxp B 160 ? 116.016 16.624 17.151  1 54.562  ? 181 B 1 c
ATOM 5449 H HA   . ARG Bxp B 160 ? 117.203 18.925 16.455  1 57.945  ? 181 B 1 c
ATOM 5450 H HB3  . ARG Bxp B 160 ? 114.632 18.002 15.57   1 58.817  ? 181 B 1 c
ATOM 5451 H HB2  . ARG Bxp B 160 ? 115.99  17.466 14.953  1 58.735  ? 181 B 1 c
ATOM 5452 H HG3  . ARG Bxp B 160 ? 115.43  20.239 14.818  1 56.807  ? 181 B 1 c
ATOM 5453 H HG2  . ARG Bxp B 160 ? 114.796 19.268 13.734  1 56.739  ? 181 B 1 c
ATOM 5454 H HD3  . ARG Bxp B 160 ? 116.802 18.749 12.844  1 53.795  ? 181 B 1 c
ATOM 5455 H HD2  . ARG Bxp B 160 ? 117.596 19.209 14.142  1 53.893  ? 181 B 1 c
ATOM 5456 H HE   . ARG Bxp B 160 ? 116.909 20.84  12.126  1 52.663  ? 181 B 1 c
ATOM 5457 H HH11 . ARG Bxp B 160 ? 118.211 21.34  15.313  1 62.309  ? 181 B 1 c
ATOM 5458 H HH12 . ARG Bxp B 160 ? 116.837 21.974 15.565  1 62.255  ? 181 B 1 c
ATOM 5459 H HH21 . ARG Bxp B 160 ? 117.796 23.074 12.359  1 56.173  ? 181 B 1 c
ATOM 5460 H HH22 . ARG Bxp B 160 ? 117.099 23.717 13.566  1 56.173  ? 181 B 1 c
ATOM 5461 N N    . THR Bxp B 161 ? 114.357 19.316 17.973  1 59.704  ? 182 B 1 .
ATOM 5462 C CA   . THR Bxp B 161 ? 113.468 20.266 18.625  1 61.576  ? 182 B 1 .
ATOM 5463 C C    . THR Bxp B 161 ? 114.153 20.893 19.842  1 57.417  ? 182 B 1 .
ATOM 5464 O O    . THR Bxp B 161 ? 114.233 22.118 19.966  1 57.929  ? 182 B 1 .
ATOM 5465 C CB   . THR Bxp B 161 ? 112.149 19.592 19.027  1 62.363  ? 182 B 1 .
ATOM 5466 O OG1  . THR Bxp B 161 ? 111.42  19.267 17.846  1 55.343  ? 182 B 1 .
ATOM 5467 C CG2  . THR Bxp B 161 ? 111.287 20.482 19.91   1 63.829  ? 182 B 1 .
ATOM 5468 H H    . THR Bxp B 161 ? 114.128 18.432 17.978  1 59.796  ? 182 B 1 c
ATOM 5469 H HA   . THR Bxp B 161 ? 113.263 20.98  17.983  1 60.555  ? 182 B 1 c
ATOM 5470 H HB   . THR Bxp B 161 ? 112.348 18.762 19.523  1 61.014  ? 182 B 1 c
ATOM 5471 H HG1  . THR Bxp B 161 ? 111.236 19.919 17.381  0 41.72   ? 182 B 1 c
ATOM 5472 H HG21 . THR Bxp B 161 ? 110.354 20.226 19.817  1 63.338  ? 182 B 1 c
ATOM 5473 H HG22 . THR Bxp B 161 ? 111.395 21.411 19.642  1 63.35   ? 182 B 1 c
ATOM 5474 H HG23 . THR Bxp B 161 ? 111.559 20.378 20.836  1 63.418  ? 182 B 1 c
ATOM 5475 N N    . LEU Bxp B 162 ? 114.599 20.043 20.767  1 51.573  ? 183 B 1 .
ATOM 5476 C CA   . LEU Bxp B 162 ? 115.196 20.526 21.993  1 52.67   ? 183 B 1 .
ATOM 5477 C C    . LEU Bxp B 162 ? 116.416 21.372 21.681  1 56.132  ? 183 B 1 .
ATOM 5478 O O    . LEU Bxp B 162 ? 116.914 22.065 22.549  1 55.987  ? 183 B 1 .
ATOM 5479 C CB   . LEU Bxp B 162 ? 115.556 19.352 22.897  1 54.75   ? 183 B 1 .
ATOM 5480 C CG   . LEU Bxp B 162 ? 114.395 18.845 23.754  1 56.608  ? 183 B 1 .
ATOM 5481 C CD1  . LEU Bxp B 162 ? 114.559 17.429 24.235  1 54.773  ? 183 B 1 .
ATOM 5482 C CD2  . LEU Bxp B 162 ? 114.228 19.79  24.932  1 58.345  ? 183 B 1 .
ATOM 5483 H H    . LEU Bxp B 162 ? 114.523 19.142 20.631  1 53.296  ? 183 B 1 c
ATOM 5484 H HA   . LEU Bxp B 162 ? 114.531 21.097 22.454  1 53.538  ? 183 B 1 c
ATOM 5485 H HB3  . LEU Bxp B 162 ? 116.289 19.631 23.493  1 54.722  ? 183 B 1 c
ATOM 5486 H HB2  . LEU Bxp B 162 ? 115.884 18.612 22.337  1 54.616  ? 183 B 1 c
ATOM 5487 H HG   . LEU Bxp B 162 ? 113.568 18.889 23.208  1 56.236  ? 183 B 1 c
ATOM 5488 H HD11 . LEU Bxp B 162 ? 114.765 16.852 23.482  1 55.332  ? 183 B 1 c
ATOM 5489 H HD12 . LEU Bxp B 162 ? 113.735 17.131 24.655  1 55.318  ? 183 B 1 c
ATOM 5490 H HD13 . LEU Bxp B 162 ? 115.284 17.387 24.882  1 55.318  ? 183 B 1 c
ATOM 5491 H HD21 . LEU Bxp B 162 ? 113.979 20.673 24.611  1 57.763  ? 183 B 1 c
ATOM 5492 H HD22 . LEU Bxp B 162 ? 115.064 19.849 25.424  1 57.789  ? 183 B 1 c
ATOM 5493 H HD23 . LEU Bxp B 162 ? 113.531 19.454 25.521  1 57.807  ? 183 B 1 c
ATOM 5494 N N    . PHE Bxp B 163 ? 116.941 21.256 20.463  1 64.631  ? 184 B 1 .
ATOM 5495 C CA   . PHE Bxp B 163 ? 118.141 21.988 20.117  1 61.214  ? 184 B 1 .
ATOM 5496 C C    . PHE Bxp B 163 ? 117.763 23.4   19.702  1 56.286  ? 184 B 1 .
ATOM 5497 O O    . PHE Bxp B 163 ? 118.112 24.359 20.356  1 60.908  ? 184 B 1 .
ATOM 5498 C CB   . PHE Bxp B 163 ? 118.912 21.27  19.011  1 64.035  ? 184 B 1 .
ATOM 5499 C CG   . PHE Bxp B 163 ? 120.219 21.991 18.722  1 68.448  ? 184 B 1 .
ATOM 5500 C CD1  . PHE Bxp B 163 ? 121.271 21.945 19.635  1 69.76   ? 184 B 1 .
ATOM 5501 C CD2  . PHE Bxp B 163 ? 120.397 22.711 17.549  1 68.637  ? 184 B 1 .
ATOM 5502 C CE1  . PHE Bxp B 163 ? 122.468 22.592 19.374  1 66.987  ? 184 B 1 .
ATOM 5503 C CE2  . PHE Bxp B 163 ? 121.599 23.357 17.293  1 70.401  ? 184 B 1 .
ATOM 5504 C CZ   . PHE Bxp B 163 ? 122.629 23.301 18.208  1 70.672  ? 184 B 1 .
ATOM 5505 H H    . PHE Bxp B 163 ? 116.571 20.692 19.847  1 61.543  ? 184 B 1 c
ATOM 5506 H HA   . PHE Bxp B 163 ? 118.724 22.039 20.92   1 61.39   ? 184 B 1 c
ATOM 5507 H HB3  . PHE Bxp B 163 ? 118.364 21.243 18.196  1 64.24   ? 184 B 1 c
ATOM 5508 H HB2  . PHE Bxp B 163 ? 119.104 20.351 19.299  1 64.242  ? 184 B 1 c
ATOM 5509 H HD1  . PHE Bxp B 163 ? 121.169 21.458 20.437  1 68.788  ? 184 B 1 c
ATOM 5510 H HD2  . PHE Bxp B 163 ? 119.697 22.753 16.917  1 68.942  ? 184 B 1 c
ATOM 5511 H HE1  . PHE Bxp B 163 ? 123.17  22.551 20.003  1 68.468  ? 184 B 1 c
ATOM 5512 H HE2  . PHE Bxp B 163 ? 121.708 23.845 16.492  1 70.033  ? 184 B 1 c
ATOM 5513 H HZ   . PHE Bxp B 163 ? 123.444 23.746 18.033  1 69.743  ? 184 B 1 c
ATOM 5514 N N    . ALA Bxp B 164 ? 117.029 23.513 18.607  1 57.975  ? 185 B 1 .
ATOM 5515 C CA   . ALA Bxp B 164 ? 116.598 24.799 18.107  1 56.779  ? 185 B 1 .
ATOM 5516 C C    . ALA Bxp B 164 ? 115.926 25.618 19.201  1 60.302  ? 185 B 1 .
ATOM 5517 O O    . ALA Bxp B 164 ? 115.721 26.809 19.03   1 68.19   ? 185 B 1 .
ATOM 5518 C CB   . ALA Bxp B 164 ? 115.659 24.575 16.958  1 60.535  ? 185 B 1 .
ATOM 5519 H H    . ALA Bxp B 164 ? 116.773 22.759 18.158  1 57.439  ? 185 B 1 c
ATOM 5520 H HA   . ALA Bxp B 164 ? 117.399 25.298 17.786  1 58.323  ? 185 B 1 c
ATOM 5521 H HB3  . ALA Bxp B 164 ? 115.349 25.43  16.616  1 59.508  ? 185 B 1 c
ATOM 5522 H HB2  . ALA Bxp B 164 ? 114.895 24.054 17.257  1 59.426  ? 185 B 1 c
ATOM 5523 H HB1  . ALA Bxp B 164 ? 116.117 24.093 16.25   1 59.467  ? 185 B 1 c
ATOM 5524 N N    . SER Bxp B 165 ? 115.549 24.991 20.311  1 61.295  ? 186 B 1 .
ATOM 5525 C CA   . SER Bxp B 165 ? 115.039 25.739 21.449  1 65.519  ? 186 B 1 .
ATOM 5526 C C    . SER Bxp B 165 ? 116.173 26.399 22.225  1 65.364  ? 186 B 1 .
ATOM 5527 O O    . SER Bxp B 165 ? 116.094 27.548 22.616  1 65.212  ? 186 B 1 .
ATOM 5528 C CB   . SER Bxp B 165 ? 114.265 24.839 22.327  1 69.366  ? 186 B 1 .
ATOM 5529 O OG   . SER Bxp B 165 ? 113.358 24.103 21.515  1 88.793  ? 186 B 1 .
ATOM 5530 H H    . SER Bxp B 165 ? 115.569 24.079 20.356  1 61.917  ? 186 B 1 c
ATOM 5531 H HA   . SER Bxp B 165 ? 114.433 26.449 21.114  1 65.343  ? 186 B 1 c
ATOM 5532 H HB3  . SER Bxp B 165 ? 113.772 25.363 22.987  1 72.592  ? 186 B 1 c
ATOM 5533 H HB2  . SER Bxp B 165 ? 114.869 24.228 22.79   1 72.559  ? 186 B 1 c
ATOM 5534 H HG   . SER Bxp B 165 ? 112.999 23.584 22.123  0 49.95   ? 186 B 1 c
ATOM 5535 N N    . PHE Bxp B 166 ? 117.241 25.647 22.427  1 77.207  ? 187 B 1 .
ATOM 5536 C CA   . PHE Bxp B 166 ? 118.389 26.103 23.185  1 78.418  ? 187 B 1 .
ATOM 5537 C C    . PHE Bxp B 166 ? 119.275 27.006 22.338  1 74.184  ? 187 B 1 .
ATOM 5538 O O    . PHE Bxp B 166 ? 119.98  27.843 22.892  1 75.081  ? 187 B 1 .
ATOM 5539 C CB   . PHE Bxp B 166 ? 119.171 24.871 23.657  1 85.232  ? 187 B 1 .
ATOM 5540 C CG   . PHE Bxp B 166 ? 118.423 23.932 24.603  1 91.903  ? 187 B 1 .
ATOM 5541 C CD1  . PHE Bxp B 166 ? 117.207 24.295 25.186  1 89.019  ? 187 B 1 .
ATOM 5542 C CD2  . PHE Bxp B 166 ? 118.966 22.693 24.947  1 89.8    ? 187 B 1 .
ATOM 5543 C CE1  . PHE Bxp B 166 ? 116.561 23.438 26.065  1 80.138  ? 187 B 1 .
ATOM 5544 C CE2  . PHE Bxp B 166 ? 118.309 21.842 25.825  1 76.496  ? 187 B 1 .
ATOM 5545 C CZ   . PHE Bxp B 166 ? 117.114 22.216 26.38   1 75.284  ? 187 B 1 .
ATOM 5546 H H    . PHE Bxp B 166 ? 117.256 24.8   22.085  1 74.408  ? 187 B 1 c
ATOM 5547 H HA   . PHE Bxp B 166 ? 118.074 26.612 23.978  1 78.518  ? 187 B 1 c
ATOM 5548 H HB3  . PHE Bxp B 166 ? 119.988 25.181 24.107  1 85.002  ? 187 B 1 c
ATOM 5549 H HB2  . PHE Bxp B 166 ? 119.449 24.361 22.865  1 84.991  ? 187 B 1 c
ATOM 5550 H HD1  . PHE Bxp B 166 ? 116.82  25.13  24.983  1 87.104  ? 187 B 1 c
ATOM 5551 H HD2  . PHE Bxp B 166 ? 119.792 22.43  24.573  1 86.798  ? 187 B 1 c
ATOM 5552 H HE1  . PHE Bxp B 166 ? 115.736 23.691 26.44   1 80.909  ? 187 B 1 c
ATOM 5553 H HE2  . PHE Bxp B 166 ? 118.687 21.004 26.039  1 79.237  ? 187 B 1 c
ATOM 5554 H HZ   . PHE Bxp B 166 ? 116.668 21.632 26.968  1 76.909  ? 187 B 1 c
ATOM 5555 N N    . ALA Bxp B 167 ? 119.283 26.779 21.016  1 71.688  ? 188 B 1 .
ATOM 5556 C CA   . ALA Bxp B 167 ? 120.164 27.512 20.122  1 65.037  ? 188 B 1 .
ATOM 5557 C C    . ALA Bxp B 167 ? 119.444 28.754 19.637  1 63.675  ? 188 B 1 .
ATOM 5558 O O    . ALA Bxp B 167 ? 120.031 29.504 18.875  1 57.759  ? 188 B 1 .
ATOM 5559 C CB   . ALA Bxp B 167 ? 120.635 26.682 18.949  1 60.676  ? 188 B 1 .
ATOM 5560 H H    . ALA Bxp B 167 ? 118.73  26.143 20.663  1 70.785  ? 188 B 1 c
ATOM 5561 H HA   . ALA Bxp B 167 ? 120.96  27.805 20.643  1 65.434  ? 188 B 1 c
ATOM 5562 H HB3  . ALA Bxp B 167 ? 121.108 27.247 18.314  1 61.94   ? 188 B 1 c
ATOM 5563 H HB2  . ALA Bxp B 167 ? 119.871 26.274 18.509  1 62.018  ? 188 B 1 c
ATOM 5564 H HB1  . ALA Bxp B 167 ? 121.234 25.984 19.263  1 61.954  ? 188 B 1 c
ATOM 5565 N N    . GLY Bxp B 168 ? 118.192 28.936 20.088  1 70.105  ? 189 B 1 .
ATOM 5566 C CA   . GLY Bxp B 168 ? 117.397 30.111 19.772  1 72.071  ? 189 B 1 .
ATOM 5567 C C    . GLY Bxp B 168 ? 117.168 30.262 18.271  1 70.028  ? 189 B 1 .
ATOM 5568 O O    . GLY Bxp B 168 ? 116.934 31.364 17.786  1 75.688  ? 189 B 1 .
ATOM 5569 H H    . GLY Bxp B 168 ? 117.809 28.289 20.607  1 68.993  ? 189 B 1 c
ATOM 5570 H HA3  . GLY Bxp B 168 ? 117.857 30.912 20.115  1 71.14   ? 189 B 1 c
ATOM 5571 H HA2  . GLY Bxp B 168 ? 116.527 30.042 20.231  1 71.14   ? 189 B 1 c
ATOM 5572 N N    . GLU Bxp B 169 ? 117.226 29.152 17.534  1 72.987  ? 190 B 1 .
ATOM 5573 C CA   . GLU Bxp B 169 ? 117.077 29.191 16.091  1 73.626  ? 190 B 1 .
ATOM 5574 C C    . GLU Bxp B 169 ? 115.675 29.683 15.746  1 71.816  ? 190 B 1 .
ATOM 5575 O O    . GLU Bxp B 169 ? 114.854 29.922 16.626  1 64.952  ? 190 B 1 .
ATOM 5576 C CB   . GLU Bxp B 169 ? 117.261 27.805 15.476  1 77.48   ? 190 B 1 .
ATOM 5577 C CG   . GLU Bxp B 169 ? 118.628 27.161 15.688  1 75.111  ? 190 B 1 .
ATOM 5578 C CD   . GLU Bxp B 169 ? 118.626 25.745 15.138  1 70.778  ? 190 B 1 .
ATOM 5579 O OE1  . GLU Bxp B 169 ? 117.611 25.354 14.545  1 65.567  ? 190 B 1 .
ATOM 5580 O OE2  . GLU Bxp B 169 ? 119.618 25.02  15.284  1 75.753  ? 190 B 1 .
ATOM 5581 H H    . GLU Bxp B 169 ? 117.338 28.342 17.943  1 72.403  ? 190 B 1 c
ATOM 5582 H HA   . GLU Bxp B 169 ? 117.746 29.819 15.718  1 73.853  ? 190 B 1 c
ATOM 5583 H HB3  . GLU Bxp B 169 ? 117.105 27.867 14.511  1 75.943  ? 190 B 1 c
ATOM 5584 H HB2  . GLU Bxp B 169 ? 116.576 27.211 15.848  1 75.785  ? 190 B 1 c
ATOM 5585 H HG3  . GLU Bxp B 169 ? 118.838 27.136 16.645  1 74.5    ? 190 B 1 c
ATOM 5586 H HG2  . GLU Bxp B 169 ? 119.316 27.686 15.227  1 74.596  ? 190 B 1 c
ATOM 5587 N N    . GLN Bxp B 170 ? 115.431 29.836 14.448  1 78.808  ? 191 B 1 .
ATOM 5588 C CA   . GLN Bxp B 170 ? 114.118 30.134 13.913  1 85.669  ? 191 B 1 .
ATOM 5589 C C    . GLN Bxp B 170 ? 114.048 29.385 12.597  1 81.3    ? 191 B 1 .
ATOM 5590 O O    . GLN Bxp B 170 ? 114.774 29.727 11.678  1 94.646  ? 191 B 1 .
ATOM 5591 C CB   . GLN Bxp B 170 ? 114.006 31.636 13.642  1 95.929  ? 191 B 1 .
ATOM 5592 C CG   . GLN Bxp B 170 ? 112.577 32.145 13.475  1 106.691 ? 191 B 1 .
ATOM 5593 C CD   . GLN Bxp B 170 ? 111.77  31.984 14.746  1 119.149 ? 191 B 1 .
ATOM 5594 O OE1  . GLN Bxp B 170 ? 112.28  32.173 15.861  1 109.865 ? 191 B 1 .
ATOM 5595 N NE2  . GLN Bxp B 170 ? 110.517 31.579 14.589  1 114.506 ? 191 B 1 .
ATOM 5596 H H    . GLN Bxp B 170 ? 116.129 29.768 13.862  1 78.519  ? 191 B 1 c
ATOM 5597 H HA   . GLN Bxp B 170 ? 113.423 29.816 14.539  1 84.828  ? 191 B 1 c
ATOM 5598 H HB3  . GLN Bxp B 170 ? 114.513 31.851 12.832  1 95.684  ? 191 B 1 c
ATOM 5599 H HB2  . GLN Bxp B 170 ? 114.426 32.116 14.386  1 95.722  ? 191 B 1 c
ATOM 5600 H HG3  . GLN Bxp B 170 ? 112.138 31.651 12.75   1 106.871 ? 191 B 1 c
ATOM 5601 H HG2  . GLN Bxp B 170 ? 112.596 33.094 13.225  1 106.836 ? 191 B 1 c
ATOM 5602 H HE21 . GLN Bxp B 170 ? 110.174 30.976 15.141  1 115.915 ? 191 B 1 c
ATOM 5603 H HE22 . GLN Bxp B 170 ? 110.024 31.912 13.931  1 115.915 ? 191 B 1 c
ATOM 5604 N N    . PRO Bxp B 171 ? 113.259 28.311 12.451  1 72.379  ? 192 B 1 .
ATOM 5605 C CA   . PRO Bxp B 171 ? 112.144 27.986 13.322  1 69.754  ? 192 B 1 .
ATOM 5606 C C    . PRO Bxp B 171 ? 112.537 27.257 14.595  1 68.39   ? 192 B 1 .
ATOM 5607 O O    . PRO Bxp B 171 ? 113.528 26.528 14.56   1 59.648  ? 192 B 1 .
ATOM 5608 C CB   . PRO Bxp B 171 ? 111.355 27.034 12.456  1 78.438  ? 192 B 1 .
ATOM 5609 C CG   . PRO Bxp B 171 ? 112.463 26.274 11.759  1 87.775  ? 192 B 1 .
ATOM 5610 C CD   . PRO Bxp B 171 ? 113.484 27.3   11.412  1 88.089  ? 192 B 1 .
ATOM 5611 H HA   . PRO Bxp B 171 ? 111.623 28.79  13.528  1 71.661  ? 192 B 1 c
ATOM 5612 H HB3  . PRO Bxp B 171 ? 110.797 27.517 11.816  1 78.128  ? 192 B 1 c
ATOM 5613 H HB2  . PRO Bxp B 171 ? 110.8   26.438 12.997  1 78.113  ? 192 B 1 c
ATOM 5614 H HG3  . PRO Bxp B 171 ? 112.128 25.839 10.95   1 85.386  ? 192 B 1 c
ATOM 5615 H HG2  . PRO Bxp B 171 ? 112.844 25.592 12.346  1 85.335  ? 192 B 1 c
ATOM 5616 H HD3  . PRO Bxp B 171 ? 114.391 26.938 11.466  1 84.075  ? 192 B 1 c
ATOM 5617 H HD2  . PRO Bxp B 171 ? 113.333 27.672 10.522  1 84.075  ? 192 B 1 c
ATOM 5618 N N    . SER Bxp B 172 ? 111.736 27.452 15.669  1 72.918  ? 193 B 1 .
ATOM 5619 C CA   . SER Bxp B 172 ? 111.983 26.89  17      1 74.909  ? 193 B 1 .
ATOM 5620 C C    . SER Bxp B 172 ? 110.723 26.919 17.866  1 67.088  ? 193 B 1 .
ATOM 5621 O O    . SER Bxp B 172 ? 109.703 27.441 17.452  1 84.021  ? 193 B 1 .
ATOM 5622 C CB   . SER Bxp B 172 ? 113.107 27.615 17.695  1 77.104  ? 193 B 1 .
ATOM 5623 O OG   . SER Bxp B 172 ? 112.874 29.01  17.756  1 83.596  ? 193 B 1 .
ATOM 5624 H H    . SER Bxp B 172 ? 110.99  27.968 15.557  1 72.191  ? 193 B 1 c
ATOM 5625 H HA   . SER Bxp B 172 ? 112.252 25.943 16.884  1 73.349  ? 193 B 1 c
ATOM 5626 H HB3  . SER Bxp B 172 ? 113.94  27.448 17.214  1 77.897  ? 193 B 1 c
ATOM 5627 H HB2  . SER Bxp B 172 ? 113.207 27.265 18.6    1 77.738  ? 193 B 1 c
ATOM 5628 H HG   . SER Bxp B 172 ? 113.449 29.353 18.323  0 60      ? 193 B 1 c
ATOM 5629 N N    . VAL Bxp B 173 ? 110.797 26.356 19.072  1 62.459  ? 194 B 1 .
ATOM 5630 C CA   . VAL Bxp B 173 ? 109.678 26.374 20.001  1 61.323  ? 194 B 1 .
ATOM 5631 C C    . VAL Bxp B 173 ? 110.12  27.016 21.315  1 71.15   ? 194 B 1 .
ATOM 5632 O O    . VAL Bxp B 173 ? 110.852 26.429 22.111  1 78.129  ? 194 B 1 .
ATOM 5633 C CB   . VAL Bxp B 173 ? 109.154 24.953 20.273  1 61.345  ? 194 B 1 .
ATOM 5634 C CG1  . VAL Bxp B 173 ? 108.008 24.95  21.293  1 59.832  ? 194 B 1 .
ATOM 5635 C CG2  . VAL Bxp B 173 ? 108.774 24.241 18.983  1 58.557  ? 194 B 1 .
ATOM 5636 H H    . VAL Bxp B 173 ? 111.568 25.934 19.324  1 63.523  ? 194 B 1 c
ATOM 5637 H HA   . VAL Bxp B 173 ? 108.958 26.9   19.614  1 63.462  ? 194 B 1 c
ATOM 5638 H HB   . VAL Bxp B 173 ? 109.9   24.447 20.674  1 60.606  ? 194 B 1 c
ATOM 5639 H HG11 . VAL Bxp B 173 ? 107.452 25.736 21.159  1 60.298  ? 194 B 1 c
ATOM 5640 H HG12 . VAL Bxp B 173 ? 108.373 24.963 22.193  1 60.373  ? 194 B 1 c
ATOM 5641 H HG13 . VAL Bxp B 173 ? 107.468 24.15  21.175  1 60.28   ? 194 B 1 c
ATOM 5642 H HG21 . VAL Bxp B 173 ? 108.329 23.403 19.193  1 59.378  ? 194 B 1 c
ATOM 5643 H HG22 . VAL Bxp B 173 ? 109.576 24.058 18.465  1 59.391  ? 194 B 1 c
ATOM 5644 H HG23 . VAL Bxp B 173 ? 108.176 24.805 18.465  1 59.375  ? 194 B 1 c
ATOM 5645 N N    . PRO Bxp B 174 ? 109.637 28.22  21.651  1 68.539  ? 195 B 1 .
ATOM 5646 C CA   . PRO Bxp B 174 ? 110.037 28.862 22.892  1 65.423  ? 195 B 1 .
ATOM 5647 C C    . PRO Bxp B 174 ? 110.327 27.868 24.011  1 59.645  ? 195 B 1 .
ATOM 5648 O O    . PRO Bxp B 174 ? 109.505 27.02  24.318  1 53.264  ? 195 B 1 .
ATOM 5649 C CB   . PRO Bxp B 174 ? 108.831 29.736 23.22   1 64.127  ? 195 B 1 .
ATOM 5650 C CG   . PRO Bxp B 174 ? 107.792 29.413 22.15   1 63.557  ? 195 B 1 .
ATOM 5651 C CD   . PRO Bxp B 174 ? 108.575 28.956 20.966  1 67.439  ? 195 B 1 .
ATOM 5652 H HA   . PRO Bxp B 174 ? 110.824 29.424 22.732  1 64.689  ? 195 B 1 c
ATOM 5653 H HB3  . PRO Bxp B 174 ? 109.072 30.682 23.193  1 64.27   ? 195 B 1 c
ATOM 5654 H HB2  . PRO Bxp B 174 ? 108.485 29.53  24.111  1 64.196  ? 195 B 1 c
ATOM 5655 H HG3  . PRO Bxp B 174 ? 107.265 30.206 21.927  1 64.562  ? 195 B 1 c
ATOM 5656 H HG2  . PRO Bxp B 174 ? 107.187 28.708 22.454  1 64.562  ? 195 B 1 c
ATOM 5657 H HD3  . PRO Bxp B 174 ? 108.047 28.377 20.387  1 66.75   ? 195 B 1 c
ATOM 5658 H HD2  . PRO Bxp B 174 ? 108.935 29.705 20.453  1 66.786  ? 195 B 1 c
ATOM 5659 N N    . GLU Bxp B 175 ? 111.497 28.017 24.633  1 66.843  ? 196 B 1 .
ATOM 5660 C CA   . GLU Bxp B 175 ? 112.004 27.095 25.64   1 63.81   ? 196 B 1 .
ATOM 5661 C C    . GLU Bxp B 175 ? 110.931 26.699 26.652  1 60.108  ? 196 B 1 .
ATOM 5662 O O    . GLU Bxp B 175 ? 110.787 25.527 26.995  1 51.861  ? 196 B 1 .
ATOM 5663 C CB   . GLU Bxp B 175 ? 113.211 27.735 26.317  1 63.234  ? 196 B 1 .
ATOM 5664 C CG   . GLU Bxp B 175 ? 113.84  26.848 27.387  1 77.354  ? 196 B 1 .
ATOM 5665 C CD   . GLU Bxp B 175 ? 115.318 27.089 27.688  1 83.105  ? 196 B 1 .
ATOM 5666 O OE1  . GLU Bxp B 175 ? 115.95  27.824 26.88   1 67.707  ? 196 B 1 .
ATOM 5667 O OE2  . GLU Bxp B 175 ? 115.832 26.553 28.722  1 80.821  ? 196 B 1 .
ATOM 5668 H H    . GLU Bxp B 175 ? 112.012 28.74  24.417  1 64.389  ? 196 B 1 c
ATOM 5669 H HA   . GLU Bxp B 175 ? 112.312 26.277 25.176  1 63.613  ? 196 B 1 c
ATOM 5670 H HB3  . GLU Bxp B 175 ? 112.931 28.58  26.728  1 66.34   ? 196 B 1 c
ATOM 5671 H HB2  . GLU Bxp B 175 ? 113.88  27.944 25.632  1 66.327  ? 196 B 1 c
ATOM 5672 H HG3  . GLU Bxp B 175 ? 113.734 25.911 27.116  1 75.009  ? 196 B 1 c
ATOM 5673 H HG2  . GLU Bxp B 175 ? 113.338 26.962 28.222  1 75.004  ? 196 B 1 c
ATOM 5674 N N    . ALA Bxp B 176 ? 110.143 27.675 27.107  1 67.863  ? 197 B 1 .
ATOM 5675 C CA   . ALA Bxp B 176 ? 109.178 27.419 28.171  1 69.541  ? 197 B 1 .
ATOM 5676 C C    . ALA Bxp B 176 ? 107.934 26.677 27.68   1 61.76   ? 197 B 1 .
ATOM 5677 O O    . ALA Bxp B 176 ? 106.915 26.698 28.344  1 64.042  ? 197 B 1 .
ATOM 5678 C CB   . ALA Bxp B 176 ? 108.784 28.714 28.841  1 64.921  ? 197 B 1 .
ATOM 5679 H H    . ALA Bxp B 176 ? 110.209 28.518 26.76   1 66.225  ? 197 B 1 c
ATOM 5680 H HA   . ALA Bxp B 176 ? 109.624 26.84  28.85   1 66.737  ? 197 B 1 c
ATOM 5681 H HB3  . ALA Bxp B 176 ? 108.358 28.525 29.694  1 66.24   ? 197 B 1 c
ATOM 5682 H HB2  . ALA Bxp B 176 ? 108.163 29.201 28.274  1 66.229  ? 197 B 1 c
ATOM 5683 H HB1  . ALA Bxp B 176 ? 109.575 29.258 28.992  1 66.25   ? 197 B 1 c
ATOM 5684 N N    . ARG Bxp B 177 ? 108.013 26.005 26.539  1 60.687  ? 198 B 1 .
ATOM 5685 C CA   . ARG Bxp B 177 ? 106.859 25.329 25.978  1 61.239  ? 198 B 1 .
ATOM 5686 C C    . ARG Bxp B 177 ? 107.298 24.002 25.375  1 64.921  ? 198 B 1 .
ATOM 5687 O O    . ARG Bxp B 177 ? 106.547 23.034 25.43   1 64.835  ? 198 B 1 .
ATOM 5688 C CB   . ARG Bxp B 177 ? 106.253 26.15  24.837  1 59.867  ? 198 B 1 .
ATOM 5689 C CG   . ARG Bxp B 177 ? 105.57  27.46  25.199  1 56.556  ? 198 B 1 .
ATOM 5690 C CD   . ARG Bxp B 177 ? 104.331 27.234 25.987  1 59.441  ? 198 B 1 .
ATOM 5691 N NE   . ARG Bxp B 177 ? 103.467 26.275 25.3    1 68.268  ? 198 B 1 .
ATOM 5692 C CZ   . ARG Bxp B 177 ? 102.624 25.481 25.933  1 74.681  ? 198 B 1 .
ATOM 5693 N NH1  . ARG Bxp B 177 ? 102.34  25.725 27.192  1 70.835  ? 198 B 1 .
ATOM 5694 N NH2  . ARG Bxp B 177 ? 102.066 24.468 25.3    1 82.421  ? 198 B 1 .
ATOM 5695 H H    . ARG Bxp B 177 ? 108.803 25.983 26.084  1 61.212  ? 198 B 1 c
ATOM 5696 H HA   . ARG Bxp B 177 ? 106.191 25.165 26.69   1 61.541  ? 198 B 1 c
ATOM 5697 H HB3  . ARG Bxp B 177 ? 105.605 25.583 24.368  1 59.534  ? 198 B 1 c
ATOM 5698 H HB2  . ARG Bxp B 177 ? 106.971 26.351 24.2    1 59.416  ? 198 B 1 c
ATOM 5699 H HG3  . ARG Bxp B 177 ? 105.343 27.946 24.377  1 57.958  ? 198 B 1 c
ATOM 5700 H HG2  . ARG Bxp B 177 ? 106.187 28.015 25.723  1 57.971  ? 198 B 1 c
ATOM 5701 H HD3  . ARG Bxp B 177 ? 103.852 28.08  26.102  1 60.737  ? 198 B 1 c
ATOM 5702 H HD2  . ARG Bxp B 177 ? 104.565 26.889 26.873  1 60.834  ? 198 B 1 c
ATOM 5703 H HE   . ARG Bxp B 177 ? 103.493 26.236 24.43   1 67.445  ? 198 B 1 c
ATOM 5704 H HH11 . ARG Bxp B 177 ? 101.921 26.472 27.411  1 71.997  ? 198 B 1 c
ATOM 5705 H HH12 . ARG Bxp B 177 ? 102.57  25.141 27.815  1 71.997  ? 198 B 1 c
ATOM 5706 H HH21 . ARG Bxp B 177 ? 102.527 23.725 25.174  1 79.876  ? 198 B 1 c
ATOM 5707 H HH22 . ARG Bxp B 177 ? 101.235 24.538 25.01   1 79.89   ? 198 B 1 c
ATOM 5708 N N    . VAL Bxp B 178 ? 108.494 24.004 24.765  1 62.436  ? 199 B 1 .
ATOM 5709 C CA   . VAL Bxp B 178 ? 109.059 22.865 24.062  1 63.664  ? 199 B 1 .
ATOM 5710 C C    . VAL Bxp B 178 ? 108.757 21.536 24.762  1 69.701  ? 199 B 1 .
ATOM 5711 O O    . VAL Bxp B 178 ? 108.701 20.501 24.084  1 66.613  ? 199 B 1 .
ATOM 5712 C CB   . VAL Bxp B 178 ? 110.58  23.051 23.897  1 66.734  ? 199 B 1 .
ATOM 5713 C CG1  . VAL Bxp B 178 ? 111.275 23.333 25.228  1 68.137  ? 199 B 1 .
ATOM 5714 C CG2  . VAL Bxp B 178 ? 111.208 21.848 23.191  1 70.756  ? 199 B 1 .
ATOM 5715 H H    . VAL Bxp B 178 ? 108.976 24.779 24.763  1 63.29   ? 199 B 1 c
ATOM 5716 H HA   . VAL Bxp B 178 ? 108.659 22.834 23.171  1 65.017  ? 199 B 1 c
ATOM 5717 H HB   . VAL Bxp B 178 ? 110.713 23.839 23.319  1 67.138  ? 199 B 1 c
ATOM 5718 H HG11 . VAL Bxp B 178 ? 110.621 23.339 25.946  1 67.576  ? 199 B 1 c
ATOM 5719 H HG12 . VAL Bxp B 178 ? 111.716 24.196 25.184  1 67.548  ? 199 B 1 c
ATOM 5720 H HG13 . VAL Bxp B 178 ? 111.937 22.643 25.403  1 67.691  ? 199 B 1 c
ATOM 5721 H HG21 . VAL Bxp B 178 ? 112.048 22.115 22.781  1 69.607  ? 199 B 1 c
ATOM 5722 H HG22 . VAL Bxp B 178 ? 110.603 21.524 22.504  1 69.44   ? 199 B 1 c
ATOM 5723 H HG23 . VAL Bxp B 178 ? 111.375 21.14  23.835  1 69.521  ? 199 B 1 c
ATOM 5724 N N    . LEU Bxp B 179 ? 108.603 21.57  26.104  1 73.175  ? 200 B 1 .
ATOM 5725 C CA   . LEU Bxp B 179 ? 108.387 20.374 26.91   1 65.591  ? 200 B 1 .
ATOM 5726 C C    . LEU Bxp B 179 ? 106.977 19.806 26.688  1 71.631  ? 200 B 1 .
ATOM 5727 O O    . LEU Bxp B 179 ? 106.822 18.738 26.084  1 71.842  ? 200 B 1 .
ATOM 5728 C CB   . LEU Bxp B 179 ? 108.664 20.702 28.377  1 63.63   ? 200 B 1 .
ATOM 5729 C CG   . LEU Bxp B 179 ? 109.377 19.607 29.184  1 69.972  ? 200 B 1 .
ATOM 5730 C CD1  . LEU Bxp B 179 ? 109.233 19.884 30.675  1 73.694  ? 200 B 1 .
ATOM 5731 C CD2  . LEU Bxp B 179 ? 108.936 18.18  28.899  1 66.196  ? 200 B 1 .
ATOM 5732 H H    . LEU Bxp B 179 ? 108.65  22.375 26.532  1 70.292  ? 200 B 1 c
ATOM 5733 H HA   . LEU Bxp B 179 ? 109.039 19.692 26.61   1 67.726  ? 200 B 1 c
ATOM 5734 H HB3  . LEU Bxp B 179 ? 107.808 20.905 28.82   1 65.677  ? 200 B 1 c
ATOM 5735 H HB2  . LEU Bxp B 179 ? 109.214 21.518 28.414  1 65.589  ? 200 B 1 c
ATOM 5736 H HG   . LEU Bxp B 179 ? 110.341 19.656 28.965  1 68.88   ? 200 B 1 c
ATOM 5737 H HD11 . LEU Bxp B 179 ? 109.583 20.769 30.876  1 72.61   ? 200 B 1 c
ATOM 5738 H HD12 . LEU Bxp B 179 ? 109.728 19.218 31.179  1 72.467  ? 200 B 1 c
ATOM 5739 H HD13 . LEU Bxp B 179 ? 108.294 19.844 30.923  1 72.561  ? 200 B 1 c
ATOM 5740 H HD21 . LEU Bxp B 179 ? 109.264 17.905 28.027  1 67.299  ? 200 B 1 c
ATOM 5741 H HD22 . LEU Bxp B 179 ? 107.967 18.133 28.91   1 67.301  ? 200 B 1 c
ATOM 5742 H HD23 . LEU Bxp B 179 ? 109.296 17.586 29.58   1 67.358  ? 200 B 1 c
ATOM 5743 N N    . ASP Bxp B 180 ? 105.948 20.535 27.152  1 75.886  ? 201 B 1 .
ATOM 5744 C CA   . ASP Bxp B 180 ? 104.551 20.155 26.958  1 71.579  ? 201 B 1 .
ATOM 5745 C C    . ASP Bxp B 180 ? 104.294 19.838 25.491  1 67.159  ? 201 B 1 .
ATOM 5746 O O    . ASP Bxp B 180 ? 103.595 18.879 25.181  1 62.125  ? 201 B 1 .
ATOM 5747 C CB   . ASP Bxp B 180 ? 103.599 21.275 27.344  1 75.191  ? 201 B 1 .
ATOM 5748 C CG   . ASP Bxp B 180 ? 104.01  22.049 28.582  1 72.607  ? 201 B 1 .
ATOM 5749 O OD1  . ASP Bxp B 180 ? 104.396 21.387 29.557  1 64.55   ? 201 B 1 .
ATOM 5750 O OD2  . ASP Bxp B 180 ? 103.974 23.297 28.535  1 74.318  ? 201 B 1 .
ATOM 5751 H H    . ASP Bxp B 180 ? 106.128 21.316 27.589  1 73.668  ? 201 B 1 c
ATOM 5752 H HA   . ASP Bxp B 180 ? 104.361 19.356 27.501  1 72.202  ? 201 B 1 c
ATOM 5753 H HB3  . ASP Bxp B 180 ? 102.711 20.892 27.504  1 73.743  ? 201 B 1 c
ATOM 5754 H HB2  . ASP Bxp B 180 ? 103.525 21.909 26.6    1 73.686  ? 201 B 1 c
ATOM 5755 N N    . THR Bxp B 181 ? 104.877 20.679 24.621  1 67.043  ? 202 B 1 .
ATOM 5756 C CA   . THR Bxp B 181 ? 104.859 20.517 23.174  1 61.937  ? 202 B 1 .
ATOM 5757 C C    . THR Bxp B 181 ? 105.369 19.138 22.746  1 55.022  ? 202 B 1 .
ATOM 5758 O O    . THR Bxp B 181 ? 104.808 18.53  21.843  1 51.169  ? 202 B 1 .
ATOM 5759 C CB   . THR Bxp B 181 ? 105.682 21.632 22.522  1 63.241  ? 202 B 1 .
ATOM 5760 O OG1  . THR Bxp B 181 ? 105.04  22.896 22.725  1 63.456  ? 202 B 1 .
ATOM 5761 C CG2  . THR Bxp B 181 ? 105.854 21.381 21.034  1 62.6    ? 202 B 1 .
ATOM 5762 H H    . THR Bxp B 181 ? 105.306 21.412 24.96   1 65.966  ? 202 B 1 c
ATOM 5763 H HA   . THR Bxp B 181 ? 103.929 20.609 22.872  1 61.864  ? 202 B 1 c
ATOM 5764 H HB   . THR Bxp B 181 ? 106.576 21.657 22.938  1 62.99   ? 202 B 1 c
ATOM 5765 H HG1  . THR Bxp B 181 ? 104.367 22.879 22.31   0 44.93   ? 202 B 1 c
ATOM 5766 H HG21 . THR Bxp B 181 ? 106.031 22.223 20.582  1 62.772  ? 202 B 1 c
ATOM 5767 H HG22 . THR Bxp B 181 ? 105.043 20.986 20.673  1 62.734  ? 202 B 1 c
ATOM 5768 H HG23 . THR Bxp B 181 ? 106.601 20.775 20.889  1 62.737  ? 202 B 1 c
ATOM 5769 N N    . LEU Bxp B 182 ? 106.45  18.663 23.369  1 55.929  ? 203 B 1 .
ATOM 5770 C CA   . LEU Bxp B 182 ? 106.978 17.337 23.083  1 57.32   ? 203 B 1 .
ATOM 5771 C C    . LEU Bxp B 182 ? 106.119 16.243 23.713  1 58.584  ? 203 B 1 .
ATOM 5772 O O    . LEU Bxp B 182 ? 105.671 15.349 23.004  1 57.673  ? 203 B 1 .
ATOM 5773 C CB   . LEU Bxp B 182 ? 108.418 17.209 23.564  1 55.411  ? 203 B 1 .
ATOM 5774 C CG   . LEU Bxp B 182 ? 109.471 17.946 22.737  1 55.256  ? 203 B 1 .
ATOM 5775 C CD1  . LEU Bxp B 182 ? 110.84  17.508 23.236  1 58.419  ? 203 B 1 .
ATOM 5776 C CD2  . LEU Bxp B 182 ? 109.311 17.693 21.252  1 53.104  ? 203 B 1 .
ATOM 5777 H H    . LEU Bxp B 182 ? 106.88  19.185 23.984  1 56.193  ? 203 B 1 c
ATOM 5778 H HA   . LEU Bxp B 182 ? 106.957 17.208 22.102  1 56.824  ? 203 B 1 c
ATOM 5779 H HB3  . LEU Bxp B 182 ? 108.65  16.252 23.581  1 55.864  ? 203 B 1 c
ATOM 5780 H HB2  . LEU Bxp B 182 ? 108.464 17.54  24.49   1 55.895  ? 203 B 1 c
ATOM 5781 H HG   . LEU Bxp B 182 ? 109.376 18.917 22.897  1 55.529  ? 203 B 1 c
ATOM 5782 H HD11 . LEU Bxp B 182 ? 110.999 17.885 24.118  1 57.469  ? 203 B 1 c
ATOM 5783 H HD12 . LEU Bxp B 182 ? 111.526 17.822 22.623  1 57.442  ? 203 B 1 c
ATOM 5784 H HD13 . LEU Bxp B 182 ? 110.874 16.539 23.289  1 57.502  ? 203 B 1 c
ATOM 5785 H HD21 . LEU Bxp B 182 ? 108.622 18.278 20.893  1 53.822  ? 203 B 1 c
ATOM 5786 H HD22 . LEU Bxp B 182 ? 109.055 16.772 21.112  1 53.923  ? 203 B 1 c
ATOM 5787 H HD23 . LEU Bxp B 182 ? 110.152 17.867 20.797  1 53.833  ? 203 B 1 c
ATOM 5788 N N    . VAL Bxp B 183 ? 105.909 16.326 25.032  1 58.727  ? 204 B 1 .
ATOM 5789 C CA   . VAL Bxp B 183 ? 105.216 15.301 25.798  1 58.999  ? 204 B 1 .
ATOM 5790 C C    . VAL Bxp B 183 ? 103.878 14.959 25.161  1 59.747  ? 204 B 1 .
ATOM 5791 O O    . VAL Bxp B 183 ? 103.51  13.786 25.075  1 52.698  ? 204 B 1 .
ATOM 5792 C CB   . VAL Bxp B 183 ? 104.965 15.733 27.245  1 58.868  ? 204 B 1 .
ATOM 5793 C CG1  . VAL Bxp B 183 ? 104.649 14.538 28.142  1 63.432  ? 204 B 1 .
ATOM 5794 C CG2  . VAL Bxp B 183 ? 106.156 16.495 27.794  1 63.207  ? 204 B 1 .
ATOM 5795 H H    . VAL Bxp B 183 ? 106.198 17.075 25.467  1 58.813  ? 204 B 1 c
ATOM 5796 H HA   . VAL Bxp B 183 ? 105.77  14.497 25.806  1 59.082  ? 204 B 1 c
ATOM 5797 H HB   . VAL Bxp B 183 ? 104.185 16.337 27.245  1 60.512  ? 204 B 1 c
ATOM 5798 H HG11 . VAL Bxp B 183 ? 105.466 14.047 28.33   1 62.226  ? 204 B 1 c
ATOM 5799 H HG12 . VAL Bxp B 183 ? 104.017 13.951 27.695  1 62.061  ? 204 B 1 c
ATOM 5800 H HG13 . VAL Bxp B 183 ? 104.262 14.852 28.976  1 62.235  ? 204 B 1 c
ATOM 5801 H HG21 . VAL Bxp B 183 ? 106.312 16.23  28.717  1 61.919  ? 204 B 1 c
ATOM 5802 H HG22 . VAL Bxp B 183 ? 105.972 17.447 27.764  1 61.978  ? 204 B 1 c
ATOM 5803 H HG23 . VAL Bxp B 183 ? 106.948 16.298 27.267  1 61.898  ? 204 B 1 c
ATOM 5804 N N    . HIS Bxp B 184 ? 103.144 15.995 24.757  1 61.966  ? 205 B 1 .
ATOM 5805 C CA   . HIS Bxp B 184 ? 101.906 15.773 24.034  1 65.962  ? 205 B 1 .
ATOM 5806 C C    . HIS Bxp B 184 ? 102.175 14.868 22.845  1 63.311  ? 205 B 1 .
ATOM 5807 O O    . HIS Bxp B 184 ? 101.565 13.814 22.718  1 70.582  ? 205 B 1 .
ATOM 5808 C CB   . HIS Bxp B 184 ? 101.294 17.079 23.533  1 69.386  ? 205 B 1 .
ATOM 5809 C CG   . HIS Bxp B 184 ? 100.118 16.881 22.643  1 66.494  ? 205 B 1 .
ATOM 5810 N ND1  . HIS Bxp B 184 ? 98.808  17.003 23.05   1 70.467  ? 205 B 1 .
ATOM 5811 C CD2  . HIS Bxp B 184 ? 100.081 16.589 21.345  1 71.683  ? 205 B 1 .
ATOM 5812 C CE1  . HIS Bxp B 184 ? 98.007  16.795 22.015  1 72.651  ? 205 B 1 .
ATOM 5813 N NE2  . HIS Bxp B 184 ? 98.758  16.543 20.967  1 73.342  ? 205 B 1 .
ATOM 5814 H H    . HIS Bxp B 184 ? 103.41  16.85  24.939  1 62.296  ? 205 B 1 c
ATOM 5815 H HA   . HIS Bxp B 184 ? 101.267 15.32  24.637  1 65.297  ? 205 B 1 c
ATOM 5816 H HB3  . HIS Bxp B 184 ? 101.984 17.575 23.043  1 68.015  ? 205 B 1 c
ATOM 5817 H HB2  . HIS Bxp B 184 ? 101.023 17.618 24.307  1 67.939  ? 205 B 1 c
ATOM 5818 H HD1  . HIS Bxp B 184 ? 98.615  17.252 23.915  0 45.75   ? 205 B 1 c
ATOM 5819 H HD2  . HIS Bxp B 184 ? 100.816 16.452 20.781  1 70.766  ? 205 B 1 c
ATOM 5820 H HE1  . HIS Bxp B 184 ? 97.066  16.811 22.031  1 72.183  ? 205 B 1 c
ATOM 5821 H HE2  . HIS Bxp B 184 ? 98.603  16.364 20.215  0 45.43   ? 205 B 1 c
ATOM 5822 N N    . ILE Bxp B 185 ? 103.099 15.281 21.984  1 64.592  ? 206 B 1 .
ATOM 5823 C CA   . ILE Bxp B 185 ? 103.341 14.543 20.756  1 72.335  ? 206 B 1 .
ATOM 5824 C C    . ILE Bxp B 185 ? 103.839 13.13  21.067  1 77.413  ? 206 B 1 .
ATOM 5825 O O    . ILE Bxp B 185 ? 103.59  12.216 20.288  1 76.551  ? 206 B 1 .
ATOM 5826 C CB   . ILE Bxp B 185 ? 104.309 15.292 19.827  1 72.359  ? 206 B 1 .
ATOM 5827 C CG1  . ILE Bxp B 185 ? 103.786 16.665 19.501  1 71.889  ? 206 B 1 .
ATOM 5828 C CG2  . ILE Bxp B 185 ? 104.574 14.488 18.55   1 72.841  ? 206 B 1 .
ATOM 5829 C CD1  . ILE Bxp B 185 ? 104.753 17.488 18.687  1 75.908  ? 206 B 1 .
ATOM 5830 H H    . ILE Bxp B 185 ? 103.599 16.023 22.169  1 66.061  ? 206 B 1 c
ATOM 5831 H HA   . ILE Bxp B 185 ? 102.487 14.461 20.288  1 71.604  ? 206 B 1 c
ATOM 5832 H HB   . ILE Bxp B 185 ? 105.158 15.398 20.3    1 72.368  ? 206 B 1 c
ATOM 5833 H HG12 . ILE Bxp B 185 ? 103.587 17.139 20.332  1 72.628  ? 206 B 1 c
ATOM 5834 H HG13 . ILE Bxp B 185 ? 102.95  16.573 19      1 72.848  ? 206 B 1 c
ATOM 5835 H HG21 . ILE Bxp B 185 ? 104.854 15.085 17.836  1 72.74   ? 206 B 1 c
ATOM 5836 H HG22 . ILE Bxp B 185 ? 103.762 14.026 18.281  1 72.749  ? 206 B 1 c
ATOM 5837 H HG23 . ILE Bxp B 185 ? 105.276 13.836 18.715  1 72.737  ? 206 B 1 c
ATOM 5838 H HD11 . ILE Bxp B 185 ? 105.653 17.118 18.761  1 74.603  ? 206 B 1 c
ATOM 5839 H HD12 . ILE Bxp B 185 ? 104.754 18.406 19.018  1 74.639  ? 206 B 1 c
ATOM 5840 H HD13 . ILE Bxp B 185 ? 104.477 17.483 17.751  1 74.51   ? 206 B 1 c
ATOM 5841 N N    . TRP Bxp B 186 ? 104.57  12.935 22.174  1 83.305  ? 207 B 1 .
ATOM 5842 C CA   . TRP Bxp B 186 ? 104.968 11.586 22.556  1 80.19   ? 207 B 1 .
ATOM 5843 C C    . TRP Bxp B 186 ? 103.7   10.79  22.856  1 77.358  ? 207 B 1 .
ATOM 5844 O O    . TRP Bxp B 186 ? 103.296 9.965  22.043  1 77.482  ? 207 B 1 .
ATOM 5845 C CB   . TRP Bxp B 186 ? 105.976 11.563 23.723  1 77.634  ? 207 B 1 .
ATOM 5846 C CG   . TRP Bxp B 186 ? 107.423 11.726 23.313  1 79.765  ? 207 B 1 .
ATOM 5847 C CD1  . TRP Bxp B 186 ? 107.958 12.752 22.592  1 85.256  ? 207 B 1 .
ATOM 5848 C CD2  . TRP Bxp B 186 ? 108.523 10.812 23.551  1 78.825  ? 207 B 1 .
ATOM 5849 N NE1  . TRP Bxp B 186 ? 109.303 12.559 22.396  1 82.353  ? 207 B 1 .
ATOM 5850 C CE2  . TRP Bxp B 186 ? 109.678 11.373 22.962  1 77.231  ? 207 B 1 .
ATOM 5851 C CE3  . TRP Bxp B 186 ? 108.654 9.582  24.203  1 76.323  ? 207 B 1 .
ATOM 5852 C CZ2  . TRP Bxp B 186 ? 110.922 10.748 22.996  1 77.482  ? 207 B 1 .
ATOM 5853 C CZ3  . TRP Bxp B 186 ? 109.886 8.963  24.233  1 72.556  ? 207 B 1 .
ATOM 5854 C CH2  . TRP Bxp B 186 ? 111.003 9.537  23.639  1 73.063  ? 207 B 1 .
ATOM 5855 H H    . TRP Bxp B 186 ? 104.831 13.644 22.689  1 80.89   ? 207 B 1 c
ATOM 5856 H HA   . TRP Bxp B 186 ? 105.406 11.172 21.773  1 79.775  ? 207 B 1 c
ATOM 5857 H HB3  . TRP Bxp B 186 ? 105.879 10.712 24.201  1 78.687  ? 207 B 1 c
ATOM 5858 H HB2  . TRP Bxp B 186 ? 105.743 12.281 24.35   1 78.705  ? 207 B 1 c
ATOM 5859 H HD1  . TRP Bxp B 186 ? 107.481 13.509 22.292  1 83      ? 207 B 1 c
ATOM 5860 H HE1  . TRP Bxp B 186 ? 109.83  13.101 21.96   1 81.72   ? 207 B 1 c
ATOM 5861 H HE3  . TRP Bxp B 186 ? 107.905 9.177  24.603  1 76.148  ? 207 B 1 c
ATOM 5862 H HZ2  . TRP Bxp B 186 ? 111.678 11.141 22.593  1 76.382  ? 207 B 1 c
ATOM 5863 H HZ3  . TRP Bxp B 186 ? 109.973 8.133  24.671  1 73.772  ? 207 B 1 c
ATOM 5864 H HH2  . TRP Bxp B 186 ? 111.831 9.092  23.685  1 74.044  ? 207 B 1 c
ATOM 5865 N N    . VAL Bxp B 187 ? 103.035 11.12  23.972  1 71.45   ? 208 B 1 .
ATOM 5866 C CA   . VAL Bxp B 187 ? 101.87  10.387 24.454  1 68.301  ? 208 B 1 .
ATOM 5867 C C    . VAL Bxp B 187 ? 100.79  10.177 23.378  1 69.108  ? 208 B 1 .
ATOM 5868 O O    . VAL Bxp B 187 ? 100.397 9.052  23.101  1 62.34   ? 208 B 1 .
ATOM 5869 C CB   . VAL Bxp B 187 ? 101.325 11.162 25.658  1 58.381  ? 208 B 1 .
ATOM 5870 C CG1  . VAL Bxp B 187 ? 99.954  10.654 26.044  1 61.02   ? 208 B 1 .
ATOM 5871 C CG2  . VAL Bxp B 187 ? 102.294 11.12  26.824  1 54.797  ? 208 B 1 .
ATOM 5872 H H    . VAL Bxp B 187 ? 103.318 11.849 24.445  1 71.676  ? 208 B 1 c
ATOM 5873 H HA   . VAL Bxp B 187 ? 102.17  9.51   24.763  1 67.004  ? 208 B 1 c
ATOM 5874 H HB   . VAL Bxp B 187 ? 101.228 12.103 25.38   1 60.03   ? 208 B 1 c
ATOM 5875 H HG11 . VAL Bxp B 187 ? 99.95   9.685  26.026  1 60.631  ? 208 B 1 c
ATOM 5876 H HG12 . VAL Bxp B 187 ? 99.294  10.992 25.417  1 60.723  ? 208 B 1 c
ATOM 5877 H HG13 . VAL Bxp B 187 ? 99.734  10.961 26.939  1 60.336  ? 208 B 1 c
ATOM 5878 H HG21 . VAL Bxp B 187 ? 101.85  11.437 27.628  1 55.95   ? 208 B 1 c
ATOM 5879 H HG22 . VAL Bxp B 187 ? 103.058 11.688 26.634  1 56.029  ? 208 B 1 c
ATOM 5880 H HG23 . VAL Bxp B 187 ? 102.597 10.207 26.962  1 55.959  ? 208 B 1 c
ATOM 5881 N N    . THR Bxp B 188 ? 100.288 11.242 22.757  1 62.839  ? 209 B 1 .
ATOM 5882 C CA   . THR Bxp B 188 ? 99.261  11.091 21.741  1 63.324  ? 209 B 1 .
ATOM 5883 C C    . THR Bxp B 188 ? 99.644  10.036 20.709  1 63.88   ? 209 B 1 .
ATOM 5884 O O    . THR Bxp B 188 ? 98.787  9.414  20.098  1 65.946  ? 209 B 1 .
ATOM 5885 C CB   . THR Bxp B 188 ? 99.004  12.411 21.021  1 70.977  ? 209 B 1 .
ATOM 5886 O OG1  . THR Bxp B 188 ? 100.148 12.734 20.235  1 63.218  ? 209 B 1 .
ATOM 5887 C CG2  . THR Bxp B 188 ? 98.638  13.526 21.98   1 79.179  ? 209 B 1 .
ATOM 5888 H H    . THR Bxp B 188 ? 100.595 12.077 22.966  1 64.542  ? 209 B 1 c
ATOM 5889 H HA   . THR Bxp B 188 ? 98.43   10.811 22.184  1 64.672  ? 209 B 1 c
ATOM 5890 H HB   . THR Bxp B 188 ? 98.234  12.283 20.419  1 69.405  ? 209 B 1 c
ATOM 5891 H HG1  . THR Bxp B 188 ? 100.834 12.882 20.798  0 43.75   ? 209 B 1 c
ATOM 5892 H HG21 . THR Bxp B 188 ? 97.857  13.998 21.644  1 76.52   ? 209 B 1 c
ATOM 5893 H HG22 . THR Bxp B 188 ? 99.379  14.145 22.058  1 76.37   ? 209 B 1 c
ATOM 5894 H HG23 . THR Bxp B 188 ? 98.436  13.152 22.854  1 76.417  ? 209 B 1 c
ATOM 5895 N N    . SER Bxp B 189 ? 100.932 9.887  20.435  1 74.085  ? 210 B 1 .
ATOM 5896 C CA   . SER Bxp B 189 ? 101.369 8.923  19.435  1 79.393  ? 210 B 1 .
ATOM 5897 C C    . SER Bxp B 189 ? 101.615 7.562  20.084  1 71.834  ? 210 B 1 .
ATOM 5898 O O    . SER Bxp B 189 ? 101.152 6.548  19.574  1 65.13   ? 210 B 1 .
ATOM 5899 C CB   . SER Bxp B 189 ? 102.594 9.419  18.664  1 84.874  ? 210 B 1 .
ATOM 5900 O OG   . SER Bxp B 189 ? 103.697 9.732  19.512  1 79.884  ? 210 B 1 .
ATOM 5901 H H    . SER Bxp B 189 ? 101.557 10.404 20.855  1 72.464  ? 210 B 1 c
ATOM 5902 H HA   . SER Bxp B 189 ? 100.633 8.811  18.783  1 77.541  ? 210 B 1 c
ATOM 5903 H HB3  . SER Bxp B 189 ? 102.348 10.215 18.155  1 82.413  ? 210 B 1 c
ATOM 5904 H HB2  . SER Bxp B 189 ? 102.867 8.733  18.027  1 82.413  ? 210 B 1 c
ATOM 5905 H HG   . SER Bxp B 189 ? 104.307 10.031 19.056  0 48.6    ? 210 B 1 c
ATOM 5906 N N    . ILE Bxp B 190 ? 102.329 7.545  21.216  1 67.831  ? 211 B 1 .
ATOM 5907 C CA   . ILE Bxp B 190 ? 102.613 6.301  21.908  1 65.621  ? 211 B 1 .
ATOM 5908 C C    . ILE Bxp B 190 ? 101.298 5.562  22.114  1 65.782  ? 211 B 1 .
ATOM 5909 O O    . ILE Bxp B 190 ? 101.245 4.354  21.922  1 71.712  ? 211 B 1 .
ATOM 5910 C CB   . ILE Bxp B 190 ? 103.313 6.507  23.264  1 79.345  ? 211 B 1 .
ATOM 5911 C CG1  . ILE Bxp B 190 ? 104.514 7.483  23.208  1 92.291  ? 211 B 1 .
ATOM 5912 C CG2  . ILE Bxp B 190 ? 103.713 5.158  23.876  1 72.303  ? 211 B 1 .
ATOM 5913 C CD1  . ILE Bxp B 190 ? 105.643 7.022  22.312  1 98.163  ? 211 B 1 .
ATOM 5914 H H    . ILE Bxp B 190 ? 102.638 8.331  21.565  1 68.741  ? 211 B 1 c
ATOM 5915 H HA   . ILE Bxp B 190 ? 103.192 5.757  21.339  1 68.461  ? 211 B 1 c
ATOM 5916 H HB   . ILE Bxp B 190 ? 102.653 6.908  23.865  1 77.333  ? 211 B 1 c
ATOM 5917 H HG12 . ILE Bxp B 190 ? 104.863 7.6    24.115  1 90.268  ? 211 B 1 c
ATOM 5918 H HG13 . ILE Bxp B 190 ? 104.202 8.352  22.898  1 89.918  ? 211 B 1 c
ATOM 5919 H HG21 . ILE Bxp B 190 ? 104.549 5.256  24.356  1 74.535  ? 211 B 1 c
ATOM 5920 H HG22 . ILE Bxp B 190 ? 103.823 4.498  23.171  1 74.199  ? 211 B 1 c
ATOM 5921 H HG23 . ILE Bxp B 190 ? 103.021 4.861  24.49   1 74.324  ? 211 B 1 c
ATOM 5922 H HD11 . ILE Bxp B 190 ? 105.481 6.104  22.032  1 95.176  ? 211 B 1 c
ATOM 5923 H HD12 . ILE Bxp B 190 ? 106.494 7.075  22.787  1 95.84   ? 211 B 1 c
ATOM 5924 H HD13 . ILE Bxp B 190 ? 105.676 7.592  21.523  1 95.73   ? 211 B 1 c
ATOM 5925 N N    . TYR Bxp B 191 ? 100.241 6.302  22.488  1 64.006  ? 212 B 1 .
ATOM 5926 C CA   . TYR Bxp B 191 ? 98.968  5.704  22.87   1 59.656  ? 212 B 1 .
ATOM 5927 C C    . TYR Bxp B 191 ? 97.896  5.847  21.785  1 54.877  ? 212 B 1 .
ATOM 5928 O O    . TYR Bxp B 191 ? 97.164  4.91   21.519  1 49.08   ? 212 B 1 .
ATOM 5929 C CB   . TYR Bxp B 191 ? 98.574  6.31   24.217  1 63.185  ? 212 B 1 .
ATOM 5930 C CG   . TYR Bxp B 191 ? 99.514  5.898  25.341  1 70.77   ? 212 B 1 .
ATOM 5931 C CD1  . TYR Bxp B 191 ? 99.778  4.555  25.619  1 80.709  ? 212 B 1 .
ATOM 5932 C CD2  . TYR Bxp B 191 ? 100.182 6.853  26.092  1 78.411  ? 212 B 1 .
ATOM 5933 C CE1  . TYR Bxp B 191 ? 100.656 4.174  26.626  1 83.02   ? 212 B 1 .
ATOM 5934 C CE2  . TYR Bxp B 191 ? 101.067 6.485  27.099  1 95.478  ? 212 B 1 .
ATOM 5935 C CZ   . TYR Bxp B 191 ? 101.309 5.144  27.369  1 89.774  ? 212 B 1 .
ATOM 5936 O OH   . TYR Bxp B 191 ? 102.178 4.786  28.369  1 82.793  ? 212 B 1 .
ATOM 5937 H H    . TYR Bxp B 191 ? 100.321 7.212  22.52   1 63.479  ? 212 B 1 c
ATOM 5938 H HA   . TYR Bxp B 191 ? 99.12   4.733  23.011  1 60.454  ? 212 B 1 c
ATOM 5939 H HB3  . TYR Bxp B 191 ? 97.661  6.021  24.438  1 64.027  ? 212 B 1 c
ATOM 5940 H HB2  . TYR Bxp B 191 ? 98.577  7.29   24.136  1 64.157  ? 212 B 1 c
ATOM 5941 H HD1  . TYR Bxp B 191 ? 99.34   3.886  25.116  1 78.692  ? 212 B 1 c
ATOM 5942 H HD2  . TYR Bxp B 191 ? 100.035 7.766  25.917  1 79.688  ? 212 B 1 c
ATOM 5943 H HE1  . TYR Bxp B 191 ? 100.808 3.263  26.8    1 83.94   ? 212 B 1 c
ATOM 5944 H HE2  . TYR Bxp B 191 ? 101.505 7.149  27.604  1 89.538  ? 212 B 1 c
ATOM 5945 H HH   . TYR Bxp B 191 ? 102.236 3.868  28.411  0 58.17   ? 212 B 1 c
ATOM 5946 N N    . GLY Bxp B 192 ? 97.783  6.994  21.129  1 61.032  ? 213 B 1 .
ATOM 5947 C CA   . GLY Bxp B 192 ? 96.82   7.156  20.046  1 65.091  ? 213 B 1 .
ATOM 5948 C C    . GLY Bxp B 192 ? 96.707  5.949  19.108  1 70.271  ? 213 B 1 .
ATOM 5949 O O    . GLY Bxp B 192 ? 97.674  5.247  18.826  1 76.273  ? 213 B 1 .
ATOM 5950 H H    . GLY Bxp B 192 ? 98.311  7.702  21.361  1 60.427  ? 213 B 1 c
ATOM 5951 H HA3  . GLY Bxp B 192 ? 97.072  7.946  19.517  1 65.246  ? 213 B 1 c
ATOM 5952 H HA2  . GLY Bxp B 192 ? 95.936  7.337  20.443  1 65.404  ? 213 B 1 c
ATOM 5953 N N    . GLU Bxp B 193 ? 95.49   5.759  18.587  1 82.292  ? 214 B 1 .
ATOM 5954 C CA   . GLU Bxp B 193 ? 95.095  4.582  17.825  1 99.592  ? 214 B 1 .
ATOM 5955 C C    . GLU Bxp B 193 ? 95.066  4.948  16.344  1 91.245  ? 214 B 1 .
ATOM 5956 O O    . GLU Bxp B 193 ? 96.103  5.197  15.734  1 74.419  ? 214 B 1 .
ATOM 5957 C CB   . GLU Bxp B 193 ? 93.722  4.135  18.362  1 115.08  ? 214 B 1 .
ATOM 5958 C CG   . GLU Bxp B 193 ? 93.063  2.944  17.658  1 103.995 ? 214 B 1 .
ATOM 5959 C CD   . GLU Bxp B 193 ? 93.615  1.62   18.127  1 92.712  ? 214 B 1 .
ATOM 5960 O OE1  . GLU Bxp B 193 ? 93.587  1.468  19.362  1 80.144  ? 214 B 1 .
ATOM 5961 O OE2  . GLU Bxp B 193 ? 94.061  0.781  17.313  1 93.525  ? 214 B 1 .
ATOM 5962 H H    . GLU Bxp B 193 ? 94.864  6.414  18.712  1 82.809  ? 214 B 1 c
ATOM 5963 H HA   . GLU Bxp B 193 ? 95.762  3.864  17.972  1 96.616  ? 214 B 1 c
ATOM 5964 H HB3  . GLU Bxp B 193 ? 93.107  4.896  18.326  1 108.493 ? 214 B 1 c
ATOM 5965 H HB2  . GLU Bxp B 193 ? 93.831  3.898  19.307  1 108.456 ? 214 B 1 c
ATOM 5966 H HG3  . GLU Bxp B 193 ? 93.2    3.013  16.691  1 103.512 ? 214 B 1 c
ATOM 5967 H HG2  . GLU Bxp B 193 ? 92.098  2.961  17.829  1 103.586 ? 214 B 1 c
ATOM 5968 N N    . ASN Bxp B 194 ? 93.83   5.094  15.849  1 103.688 ? 215 B 1 .
ATOM 5969 C CA   . ASN Bxp B 194 ? 93.449  5.162  14.452  1 111.084 ? 215 B 1 .
ATOM 5970 C C    . ASN Bxp B 194 ? 94.397  6.061  13.64   1 102.668 ? 215 B 1 .
ATOM 5971 O O    . ASN Bxp B 194 ? 94.914  7.055  14.209  1 81.09   ? 215 B 1 .
ATOM 5972 C CB   . ASN Bxp B 194 ? 91.989  5.589  14.43   1 109.662 ? 215 B 1 .
ATOM 5973 C CG   . ASN Bxp B 194 ? 91.498  5.796  13.028  1 115.049 ? 215 B 1 .
ATOM 5974 O OD1  . ASN Bxp B 194 ? 91.471  4.835  12.253  1 102.016 ? 215 B 1 .
ATOM 5975 N ND2  . ASN Bxp B 194 ? 91.132  7.026  12.692  1 116.004 ? 215 B 1 .
ATOM 5976 O OXT  . ASN Bxp B 194 ? 94.591  5.727  12.457  1 83.41   ? 215 B 1 .
ATOM 5977 H H    . ASN Bxp B 194 ? 93.159  5.213  16.456  1 102.549 ? 215 B 1 c
ATOM 5978 H HA   . ASN Bxp B 194 ? 93.495  4.252  14.08   1 107.623 ? 215 B 1 c
ATOM 5979 H HB3  . ASN Bxp B 194 ? 91.889  6.422  14.933  1 111.192 ? 215 B 1 c
ATOM 5980 H HB2  . ASN Bxp B 194 ? 91.445  4.903  14.865  1 111.147 ? 215 B 1 c
ATOM 5981 H HD21 . ASN Bxp B 194 ? 91.433  7.387  11.94   1 115.701 ? 215 B 1 c
ATOM 5982 H HD22 . ASN Bxp B 194 ? 90.588  7.486  13.221  1 115.673 ? 215 B 1 c



loop_
_struct_mon_prot_cis.pdbx_id
_struct_mon_prot_cis.pdbx_PDB_model_num
_struct_mon_prot_cis.label_asym_id
_struct_mon_prot_cis.label_seq_id
_struct_mon_prot_cis.label_comp_id
_struct_mon_prot_cis.auth_asym_id
_struct_mon_prot_cis.auth_seq_id
_struct_mon_prot_cis.pdbx_PDB_ins_code
_struct_mon_prot_cis.pdbx_label_asym_id_2
_struct_mon_prot_cis.pdbx_label_seq_id_2
_struct_mon_prot_cis.pdbx_label_comp_id_2
_struct_mon_prot_cis.pdbx_auth_asym_id_2
_struct_mon_prot_cis.pdbx_auth_seq_id_2
_struct_mon_prot_cis.pdbx_PDB_ins_code_2
_struct_mon_prot_cis.label_alt_id
_struct_mon_prot_cis.pdbx_omega_angle
1 1 Axp 170 GLN A 191 ? Axp 171 PRO A 192 ? . -0.00319591744
2 1 Bxp 170 GLN B 191 ? Bxp 171 PRO B 192 ? . 0.0127556287

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_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_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_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_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_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_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_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_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_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_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_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_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_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_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_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_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_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_HIS
_chem_comp.id                     HIS
_chem_comp.group                  peptide

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

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
HIS N   CA  single n 1.489 0.01   1.489 0.01
HIS CA  C   single n 1.533 0.01   1.533 0.01
HIS CA  CB  single n 1.533 0.0104 1.533 0.0104
HIS C   O   double n 1.251 0.0183 1.251 0.0183
HIS C   OXT single n 1.251 0.0183 1.251 0.0183
HIS CB  CG  single n 1.493 0.0146 1.493 0.0146
HIS CG  ND1 single y 1.378 0.01   1.378 0.01
HIS CG  CD2 double y 1.338 0.0174 1.338 0.0174
HIS ND1 CE1 double y 1.326 0.0133 1.326 0.0133
HIS CD2 NE2 single y 1.371 0.0154 1.371 0.0154
HIS CE1 NE2 single y 1.316 0.0157 1.316 0.0157
HIS N   H   single n 0.902 0.0102 1.018 0.052
HIS N   H2  single n 0.902 0.0102 1.018 0.052
HIS N   H3  single n 0.902 0.0102 1.018 0.052
HIS CA  HA  single n 0.989 0.02   1.092 0.01
HIS CB  HB3 single n 0.982 0.0176 1.092 0.01
HIS CB  HB2 single n 0.982 0.0176 1.092 0.01
HIS ND1 HD1 single n 0.881 0.02   1.013 0.012
HIS CD2 HD2 single n 0.937 0.0104 1.085 0.015
HIS CE1 HE1 single n 0.942 0.02   1.085 0.015
HIS NE2 HE2 single n 0.877 0.02   1.013 0.012

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
HIS CA  N   H   109.992 2.14
HIS CA  N   H2  109.992 2.14
HIS CA  N   H3  109.992 2.14
HIS H   N   H2  109.032 3
HIS H   N   H3  109.032 3
HIS H2  N   H3  109.032 3
HIS N   CA  C   109.292 1.55
HIS N   CA  CB  110.573 1.5
HIS N   CA  HA  108.019 2.27
HIS C   CA  CB  111.874 3
HIS C   CA  HA  108.29  1.5
HIS CB  CA  HA  108.89  2.34
HIS CA  C   O   117.058 3
HIS CA  C   OXT 117.058 3
HIS O   C   OXT 125.883 1.5
HIS CA  CB  CG  113.931 1.83
HIS CA  CB  HB3 108.697 1.5
HIS CA  CB  HB2 108.697 1.5
HIS CG  CB  HB3 108.948 1.5
HIS CG  CB  HB2 108.948 1.5
HIS HB3 CB  HB2 107.846 2.68
HIS CB  CG  ND1 122.94  3
HIS CB  CG  CD2 131.173 3
HIS ND1 CG  CD2 105.887 1.5
HIS CG  ND1 CE1 109.313 1.5
HIS CG  ND1 HD1 125.337 2.6
HIS CE1 ND1 HD1 125.35  3
HIS CG  CD2 NE2 107.589 1.5
HIS CG  CD2 HD2 126.688 3
HIS NE2 CD2 HD2 125.723 3
HIS ND1 CE1 NE2 108.287 1.5
HIS ND1 CE1 HE1 125.729 2.42
HIS NE2 CE1 HE1 125.984 1.51
HIS CD2 NE2 CE1 108.93  1.5
HIS CD2 NE2 HE2 125.575 3
HIS CE1 NE2 HE2 125.489 3

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
HIS chi1            N   CA  CB  CG  -60 10 3
HIS chi2            CA  CB  CG  CD2 90  10 6
HIS sp3_sp3_1       C   CA  N   H   180 10 3
HIS const_17        NE2 CD2 CG  ND1 0   0  1
HIS const_13        CG  CD2 NE2 CE1 0   0  1
HIS const_sp2_sp2_5 NE2 CE1 ND1 CG  0   0  1
HIS const_sp2_sp2_9 ND1 CE1 NE2 CD2 0   0  1
HIS const_sp2_sp2_1 CD2 CG  ND1 CE1 0   0  1
HIS sp2_sp3_1       O   C   CA  N   0   10 6

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

loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
HIS plan-1 CB  0.02
HIS plan-1 CD2 0.02
HIS plan-1 CE1 0.02
HIS plan-1 CG  0.02
HIS plan-1 HD1 0.02
HIS plan-1 HD2 0.02
HIS plan-1 HE1 0.02
HIS plan-1 HE2 0.02
HIS plan-1 ND1 0.02
HIS plan-1 NE2 0.02
HIS plan-2 C   0.02
HIS plan-2 CA  0.02
HIS plan-2 O   0.02
HIS plan-2 OXT 0.02

data_link_TRANS
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
TRANS 1 C 2 N SINGLE 1.337 0.011

loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
TRANS 1 CA 1 C 2 N  115.917 1.50
TRANS 1 O  1 C 2 N  123.469 1.50
TRANS 1 C  2 N 2 CA 122.095 1.76
TRANS 1 C  2 N 2 H  119.176 1.83

loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
TRANS psi   1 N  1 CA 1 C  2 N  160.00 30.0 2
TRANS omega 1 CA 1 C  2 N  2 CA 180.00 5.0  0
TRANS phi   1 C  2 N  2 CA 2 C  60.00  20.0 3

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

loop_
_chem_link.id
_chem_link.name
_chem_link.comp_id_1
_chem_link.mod_id_1
_chem_link.group_comp_1
_chem_link.comp_id_2
_chem_link.mod_id_2
_chem_link.group_comp_2
TRANS TRANS ? DEL-OXT peptide ? DEL-HN1 peptide

data_link_PTRANS
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
PTRANS 1 C 2 N SINGLE 1.352 0.010

loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
PTRANS 1 CA 1 C 2 N 118.415 1.50
PTRANS 1 O  1 C 2 N 121.016 1.53
PTRANS 2 CA 2 N 1 C 120.469 1.50
PTRANS 2 CD 2 N 1 C 124.005 1.50

loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
PTRANS psi   1 N  1 CA 1 C  2 N  160.00 30.0 2
PTRANS omega 1 CA 1 C  2 N  2 CA 180.00 5.0  0
PTRANS phi   1 C  2 N  2 CA 2 C  60.00  20.0 3

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

loop_
_chem_link.id
_chem_link.name
_chem_link.comp_id_1
_chem_link.mod_id_1
_chem_link.group_comp_1
_chem_link.comp_id_2
_chem_link.mod_id_2
_chem_link.group_comp_2
PTRANS PTRANS ? DEL-OXT peptide ? DEL-HNP P-peptide

data_link_PCIS
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
PCIS 1 C 2 N SINGLE 1.352 0.010

loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
PCIS 1 CA 1 C 2 N 118.415 1.50
PCIS 1 O  1 C 2 N 121.016 1.53
PCIS 2 CA 2 N 1 C 120.469 1.50
PCIS 2 CD 2 N 1 C 124.005 1.50

loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
PCIS psi   1 N  1 CA 1 C  2 N  160.00 30.0 2
PCIS omega 1 CA 1 C  2 N  2 CA 0.00   5.0  0
PCIS phi   1 C  2 N  2 CA 2 C  60.00  20.0 3

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

loop_
_chem_link.id
_chem_link.name
_chem_link.comp_id_1
_chem_link.mod_id_1
_chem_link.group_comp_1
_chem_link.comp_id_2
_chem_link.mod_id_2
_chem_link.group_comp_2
PCIS PCIS ? DEL-OXT peptide ? DEL-HNP P-peptide

data_mod_DEL-OXT
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_charge
DEL-OXT delete OXT . O OC -1

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

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

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

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

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

data_mod_DEL-HN1
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_charge
DEL-HN1 delete H2 . H H   0
DEL-HN1 delete H3 . H H   0
DEL-HN1 change N  . N NH1 0

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

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

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

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

data_mod_DEL-HNP
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_charge
DEL-HNP delete H  . H H   0
DEL-HNP delete H2 . H H   0
DEL-HNP change N  . N NH0 0

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

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

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