data_1u87
_entry.id                         1u87

_cell.entry_id                    1u87
_cell.length_a                    123.05
_cell.length_b                    123.05
_cell.length_c                    72.51
_cell.angle_alpha                 90
_cell.angle_beta                  90
_cell.angle_gamma                 120

_symmetry.entry_id                1u87
_symmetry.space_group_name_H-M    "P 63 2 2"
_symmetry.Int_Tables_number       182

loop_
_entity.id
_entity.type
A    polymer
GSH! non-polymer

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
A 1   MET ?
A 2   SER ?
A 3   PRO ?
A 4   ILE ?
A 5   LEU ?
A 6   GLY ?
A 7   PHE ?
A 8   TRP ?
A 9   LYS ?
A 10  ILE ?
A 11  LYS ?
A 12  GLY ?
A 13  LEU ?
A 14  VAL ?
A 15  GLN ?
A 16  PRO ?
A 17  THR ?
A 18  ARG ?
A 19  LEU ?
A 20  LEU ?
A 21  LEU ?
A 22  GLU ?
A 23  TYR ?
A 24  LEU ?
A 25  GLU ?
A 26  GLU ?
A 27  LYS ?
A 28  TYR ?
A 29  GLU ?
A 30  GLU ?
A 31  HIS ?
A 32  LEU ?
A 33  TYR ?
A 34  GLU ?
A 35  ARG ?
A 36  ASP ?
A 37  GLU ?
A 38  GLY ?
A 39  ASP ?
A 40  LYS ?
A 41  TRP ?
A 42  ARG ?
A 43  ASN ?
A 44  LYS ?
A 45  LYS ?
A 46  PHE ?
A 47  GLU ?
A 48  LEU ?
A 49  GLY ?
A 50  LEU ?
A 51  GLU ?
A 52  PHE ?
A 53  PRO ?
A 54  ASN ?
A 55  LEU ?
A 56  PRO ?
A 57  TYR ?
A 58  TYR ?
A 59  ILE ?
A 60  ASP ?
A 61  GLY ?
A 62  ASP ?
A 63  VAL ?
A 64  LYS ?
A 65  LEU ?
A 66  THR ?
A 67  GLN ?
A 68  SER ?
A 69  MET ?
A 70  ALA ?
A 71  ILE ?
A 72  ILE ?
A 73  ARG ?
A 74  TYR ?
A 75  ILE ?
A 76  ALA ?
A 77  ASP ?
A 78  LYS ?
A 79  HIS ?
A 80  ASN ?
A 81  MET ?
A 82  LEU ?
A 83  GLY ?
A 84  GLY ?
A 85  CYS ?
A 86  PRO ?
A 87  LYS ?
A 88  GLU ?
A 89  ARG ?
A 90  ALA ?
A 91  GLU ?
A 92  ILE ?
A 93  SER ?
A 94  MET ?
A 95  LEU ?
A 96  GLU ?
A 97  GLY ?
A 98  ALA ?
A 99  VAL ?
A 100 LEU ?
A 101 ASP ?
A 102 ILE ?
A 103 ARG ?
A 104 TYR ?
A 105 GLY ?
A 106 VAL ?
A 107 SER ?
A 108 ARG ?
A 109 ILE ?
A 110 ALA ?
A 111 TYR ?
A 112 SER ?
A 113 LYS ?
A 114 ASP ?
A 115 PHE ?
A 116 GLU ?
A 117 THR ?
A 118 LEU ?
A 119 LYS ?
A 120 VAL ?
A 121 ASP ?
A 122 PHE ?
A 123 LEU ?
A 124 SER ?
A 125 LYS ?
A 126 LEU ?
A 127 PRO ?
A 128 GLU ?
A 129 MET ?
A 130 LEU ?
A 131 LYS ?
A 132 MET ?
A 133 PHE ?
A 134 GLU ?
A 135 ASP ?
A 136 ARG ?
A 137 LEU ?
A 138 CYS ?
A 139 HIS ?
A 140 LYS ?
A 141 THR ?
A 142 TYR ?
A 143 LEU ?
A 144 ASN ?
A 145 GLY ?
A 146 ASP ?
A 147 HIS ?
A 148 VAL ?
A 149 THR ?
A 150 HIS ?
A 151 PRO ?
A 152 ASP ?
A 153 PHE ?
A 154 MET ?
A 155 LEU ?
A 156 TYR ?
A 157 ASP ?
A 158 ALA ?
A 159 LEU ?
A 160 ASP ?
A 161 VAL ?
A 162 VAL ?
A 163 LEU ?
A 164 TYR ?
A 165 MET ?
A 166 ASP ?
A 167 PRO ?
A 168 MET ?
A 169 CYS ?
A 170 LEU ?
A 171 ASP ?
A 172 ALA ?
A 173 PHE ?
A 174 PRO ?
A 175 LYS ?
A 176 LEU ?
A 177 VAL ?
A 178 CYS ?
A 179 PHE ?
A 180 LYS ?
A 181 LYS ?
A 182 ARG ?
A 183 ILE ?
A 184 GLU ?
A 185 ALA ?
A 186 ILE ?
A 187 PRO ?
A 188 GLN ?
A 189 ILE ?
A 190 ASP ?
A 191 LYS ?
A 192 TYR ?
A 193 LEU ?
A 194 LYS ?
A 195 SER ?
A 196 SER ?
A 197 LYS ?
A 198 TYR ?
A 199 ILE ?
A 200 ALA ?
A 201 TRP ?
A 202 PRO ?
A 203 LEU ?
A 204 GLN ?
A 205 GLY ?
A 206 TRP ?
A 207 GLN ?
A 208 ALA ?
A 209 THR ?

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                67.852
_refine.aniso_B[1][1]             0.755
_refine.aniso_B[2][2]             0.755
_refine.aniso_B[3][3]             -2.448
_refine.aniso_B[1][2]             0.377
_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             3.500
_refine.ls_d_res_low              29.974
_refine.ls_number_reflns_R_work   3766
_refine.ls_number_reflns_R_free   419
_refine.ls_number_reflns_obs      4185
_refine.ls_R_factor_R_work        0.1695
_refine.ls_R_factor_R_free        0.2323
_refine.ls_R_factor_all           0.176
_refine.ls_wR_factor_R_work       0.159
_refine.ls_wR_factor_R_free       0.217
_refine.ls_percent_reflns_obs     94.833
_refine.ls_percent_reflns_R_free  10.012
_refine.correlation_coeff_Fo_to_Fc 0.943
_refine.correlation_coeff_Fo_to_Fc_free 0.900
_refine.pdbx_overall_ESU_R        ?
_refine.pdbx_overall_ESU_R_Free   0.584
_refine.overall_SU_ML             0.375
_refine.overall_SU_B              24.469
_refine.pdbx_average_fsc_overall  ?
_refine.pdbx_average_fsc_work     0.9809
_refine.pdbx_average_fsc_free     0.9631
_refine.entry_id                  1u87
_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 29.974 13.950 83  96.3855 72  0.311 0.296 8  0.192 0.350 0.948 0.960 "X-RAY DIFFRACTION"
20 13.950 10.446 111 98.1982 97  0.214 0.220 12 0.271 0.233 0.981 0.979 "X-RAY DIFFRACTION"
20 10.446 8.707  133 98.4962 119 0.182 0.187 12 0.243 0.188 0.985 0.962 "X-RAY DIFFRACTION"
20 8.707  7.621  149 97.9866 131 0.143 0.147 15 0.195 0.150 0.985 0.977 "X-RAY DIFFRACTION"
20 7.621  6.861  165 96.3636 143 0.192 0.190 16 0.180 0.189 0.977 0.979 "X-RAY DIFFRACTION"
20 6.861  6.291  182 96.7033 159 0.208 0.214 17 0.276 0.195 0.980 0.954 "X-RAY DIFFRACTION"
20 6.291  5.843  191 96.3351 165 0.183 0.203 19 0.413 0.176 0.981 0.920 "X-RAY DIFFRACTION"
20 5.843  5.478  203 96.5517 176 0.185 0.184 20 0.177 0.175 0.978 0.978 "X-RAY DIFFRACTION"
20 5.478  5.175  216 98.6111 192 0.145 0.153 21 0.222 0.137 0.989 0.971 "X-RAY DIFFRACTION"
20 5.175  4.917  222 95.9459 192 0.131 0.137 21 0.199 0.122 0.989 0.978 "X-RAY DIFFRACTION"
20 4.917  4.693  238 95.3782 204 0.118 0.124 23 0.171 0.106 0.991 0.975 "X-RAY DIFFRACTION"
20 4.693  4.498  245 95.9184 212 0.111 0.119 23 0.188 0.108 0.992 0.975 "X-RAY DIFFRACTION"
20 4.498  4.326  249 96.7871 216 0.126 0.134 25 0.210 0.111 0.989 0.969 "X-RAY DIFFRACTION"
20 4.326  4.171  267 94.7566 228 0.142 0.149 25 0.216 0.120 0.985 0.972 "X-RAY DIFFRACTION"
20 4.171  4.032  271 97.4170 238 0.143 0.155 26 0.277 0.122 0.985 0.966 "X-RAY DIFFRACTION"
20 4.032  3.907  286 93.0070 239 0.195 0.197 27 0.211 0.170 0.974 0.972 "X-RAY DIFFRACTION"
20 3.907  3.792  277 94.5848 236 0.177 0.193 26 0.341 0.151 0.979 0.918 "X-RAY DIFFRACTION"
20 3.792  3.687  298 92.9530 250 0.205 0.211 27 0.266 0.173 0.972 0.958 "X-RAY DIFFRACTION"
20 3.687  3.590  303 92.4092 251 0.189 0.195 29 0.242 0.161 0.975 0.960 "X-RAY DIFFRACTION"
20 3.590  3.500  310 88.0645 246 0.201 0.202 27 0.207 0.159 0.971 0.954 "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               1794 0.007  0.012  "X-RAY DIFFRACTION"
r_bond_other_d                 1719 0.001  0.016  "X-RAY DIFFRACTION"
r_angle_refined_deg            2419 1.733  1.852  "X-RAY DIFFRACTION"
r_angle_other_deg              3984 0.581  1.777  "X-RAY DIFFRACTION"
r_dihedral_angle_1_deg         208  5.580  5.000  "X-RAY DIFFRACTION"
r_dihedral_angle_2_deg         11   6.863  5.000  "X-RAY DIFFRACTION"
r_dihedral_angle_3_deg         334  16.459 10.000 "X-RAY DIFFRACTION"
r_dihedral_angle_6_deg         81   15.834 10.000 "X-RAY DIFFRACTION"
r_chiral_restr                 255  0.282  0.200  "X-RAY DIFFRACTION"
r_gen_planes_refined           2035 0.006  0.020  "X-RAY DIFFRACTION"
r_gen_planes_other             393  0.002  0.020  "X-RAY DIFFRACTION"
r_nbd_refined                  490  0.292  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbd_other           1864 0.239  0.200  "X-RAY DIFFRACTION"
r_nbtor_refined                876  0.201  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbtor_other         1019 0.089  0.200  "X-RAY DIFFRACTION"
r_xyhbond_nbd_refined          58   0.188  0.200  "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_other   2    0.070  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbd_refined         14   0.206  0.200  "X-RAY DIFFRACTION"
r_nbd_other                    78   0.092  0.200  "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_refined 6    0.119  0.200  "X-RAY DIFFRACTION"
r_mcbond_it                    835  5.730  6.519  "X-RAY DIFFRACTION"
r_mcbond_other                 835  5.730  6.516  "X-RAY DIFFRACTION"
r_mcangle_it                   1042 8.971  11.692 "X-RAY DIFFRACTION"
r_mcangle_other                1043 8.985  11.695 "X-RAY DIFFRACTION"
r_scbond_it                    959  6.456  7.006  "X-RAY DIFFRACTION"
r_scbond_other                 960  6.452  7.007  "X-RAY DIFFRACTION"
r_scangle_it                   1377 10.399 12.611 "X-RAY DIFFRACTION"
r_scangle_other                1378 10.395 12.609 "X-RAY DIFFRACTION"
r_lrange_it                    7219 14.641 76.598 "X-RAY DIFFRACTION"
r_lrange_other                 7220 14.640 76.595 "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
S 16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.1839
H 1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030

_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    . MET Axp A    1   ? 31.508 92.116 20.665 1   115.636 ? 1   A 1 .
ATOM 2    C CA   . MET Axp A    1   ? 30.155 91.711 21.13  1   118.679 ? 1   A 1 .
ATOM 3    C C    . MET Axp A    1   ? 30.176 91.399 22.627 1   108.591 ? 1   A 1 .
ATOM 4    O O    . MET Axp A    1   ? 31.217 91.491 23.279 1   104.134 ? 1   A 1 .
ATOM 5    C CB   . MET Axp A    1   ? 29.662 90.495 20.335 1   134.291 ? 1   A 1 .
ATOM 6    C CG   . MET Axp A    1   ? 29.155 90.836 18.943 1   148.597 ? 1   A 1 .
ATOM 7    S SD   . MET Axp A    1   ? 28.021 89.598 18.277 1   165.935 ? 1   A 1 .
ATOM 8    C CE   . MET Axp A    1   ? 26.57  89.721 19.336 1   141.791 ? 1   A 1 .
ATOM 9    H H    . MET Axp A    1   ? 31.486 92.31  19.785 1   116.699 ? 1   A 1 c
ATOM 10   H H2   . MET Axp A    1   ? 32.094 91.445 20.804 1   116.645 ? 1   A 1 c
ATOM 11   H H3   . MET Axp A    1   ? 31.784 92.845 21.119 1   116.564 ? 1   A 1 c
ATOM 12   H HA   . MET Axp A    1   ? 29.539 92.472 20.98  1   118.984 ? 1   A 1 c
ATOM 13   H HB3  . MET Axp A    1   ? 28.941 90.058 20.837 1   133.219 ? 1   A 1 c
ATOM 14   H HB2  . MET Axp A    1   ? 30.4   89.854 20.256 1   133.44  ? 1   A 1 c
ATOM 15   H HG3  . MET Axp A    1   ? 29.916 90.922 18.335 1   148.071 ? 1   A 1 c
ATOM 16   H HG2  . MET Axp A    1   ? 28.695 91.699 18.969 1   147.887 ? 1   A 1 c
ATOM 17   H HE3  . MET Axp A    1   ? 26.342 90.66  19.467 1   147.436 ? 1   A 1 c
ATOM 18   H HE2  . MET Axp A    1   ? 26.763 89.31  20.199 1   147.356 ? 1   A 1 c
ATOM 19   H HE1  . MET Axp A    1   ? 25.821 89.259 18.916 1   147.436 ? 1   A 1 c
ATOM 20   N N    . SER Axp A    2   ? 28.994 91.059 23.159 1   100.39  ? 2   A 1 .
ATOM 21   C CA   . SER Axp A    2   ? 28.84  90.686 24.555 1   91.528  ? 2   A 1 .
ATOM 22   C C    . SER Axp A    2   ? 28.694 89.171 24.699 1   84.406  ? 2   A 1 .
ATOM 23   O O    . SER Axp A    2   ? 27.796 88.556 24.129 1   71.88   ? 2   A 1 .
ATOM 24   C CB   . SER Axp A    2   ? 27.704 91.431 25.218 1   85.915  ? 2   A 1 .
ATOM 25   O OG   . SER Axp A    2   ? 26.718 91.805 24.273 1   90.509  ? 2   A 1 .
ATOM 26   H H    . SER Axp A    2   ? 28.249 91.076 22.63  1   100.712 ? 2   A 1 c
ATOM 27   H HA   . SER Axp A    2   ? 29.669 90.952 25.017 1   90.909  ? 2   A 1 c
ATOM 28   H HB3  . SER Axp A    2   ? 28.055 92.231 25.654 1   88.237  ? 2   A 1 c
ATOM 29   H HB2  . SER Axp A    2   ? 27.3   90.864 25.903 1   88.217  ? 2   A 1 c
ATOM 30   H HG   . SER Axp A    2   ? 25.719 91.97  24.456 0   75.31   ? 2   A 1 c
ATOM 31   N N    . PRO Axp A    3   ? 29.576 88.565 25.525 1   90.958  ? 3   A 1 .
ATOM 32   C CA   . PRO Axp A    3   ? 29.716 87.122 25.704 1   88.602  ? 3   A 1 .
ATOM 33   C C    . PRO Axp A    3   ? 28.53  86.236 25.327 1   76.694  ? 3   A 1 .
ATOM 34   O O    . PRO Axp A    3   ? 27.373 86.614 25.5   1   68.236  ? 3   A 1 .
ATOM 35   C CB   . PRO Axp A    3   ? 30.013 87.069 27.192 1   89.828  ? 3   A 1 .
ATOM 36   C CG   . PRO Axp A    3   ? 30.99  88.231 27.331 1   92.344  ? 3   A 1 .
ATOM 37   C CD   . PRO Axp A    3   ? 30.523 89.291 26.389 1   91.373  ? 3   A 1 .
ATOM 38   H HA   . PRO Axp A    3   ? 30.508 86.82  25.213 1   86.772  ? 3   A 1 c
ATOM 39   H HB3  . PRO Axp A    3   ? 30.43  86.221 27.442 1   90.082  ? 3   A 1 c
ATOM 40   H HB2  . PRO Axp A    3   ? 29.206 87.215 27.722 1   89.984  ? 3   A 1 c
ATOM 41   H HG3  . PRO Axp A    3   ? 31.897 87.948 27.1   1   91.551  ? 3   A 1 c
ATOM 42   H HG2  . PRO Axp A    3   ? 30.993 88.57  28.248 1   91.551  ? 3   A 1 c
ATOM 43   H HD3  . PRO Axp A    3   ? 30.075 90.015 26.869 1   91.491  ? 3   A 1 c
ATOM 44   H HD2  . PRO Axp A    3   ? 31.264 89.655 25.867 1   91.49   ? 3   A 1 c
ATOM 45   N N    . ILE Axp A    4   ? 28.856 85.025 24.847 1   70.987  ? 4   A 1 .
ATOM 46   C CA   . ILE Axp A    4   ? 27.871 84.06  24.38  1   74.131  ? 4   A 1 .
ATOM 47   C C    . ILE Axp A    4   ? 28.227 82.654 24.87  1   73.075  ? 4   A 1 .
ATOM 48   O O    . ILE Axp A    4   ? 29.125 81.993 24.349 1   65.36   ? 4   A 1 .
ATOM 49   C CB   . ILE Axp A    4   ? 27.777 84.098 22.849 1   82.133  ? 4   A 1 .
ATOM 50   C CG1  . ILE Axp A    4   ? 27.55  85.529 22.326 1   98.405  ? 4   A 1 .
ATOM 51   C CG2  . ILE Axp A    4   ? 26.713 83.118 22.356 1   74.757  ? 4   A 1 .
ATOM 52   C CD1  . ILE Axp A    4   ? 28.294 85.843 21.037 1   102.796 ? 4   A 1 .
ATOM 53   H H    . ILE Axp A    4   ? 29.739 84.791 24.813 1   73.228  ? 4   A 1 c
ATOM 54   H HA   . ILE Axp A    4   ? 27     84.306 24.746 1   74.63   ? 4   A 1 c
ATOM 55   H HB   . ILE Axp A    4   ? 28.635 83.797 22.499 1   81.953  ? 4   A 1 c
ATOM 56   H HG12 . ILE Axp A    4   ? 27.831 86.168 23.008 1   94.619  ? 4   A 1 c
ATOM 57   H HG13 . ILE Axp A    4   ? 26.592 85.659 22.174 1   95.005  ? 4   A 1 c
ATOM 58   H HG21 . ILE Axp A    4   ? 26.374 83.41  21.493 1   77.067  ? 4   A 1 c
ATOM 59   H HG22 . ILE Axp A    4   ? 25.98  83.084 22.994 1   76.869  ? 4   A 1 c
ATOM 60   H HG23 . ILE Axp A    4   ? 27.102 82.232 22.265 1   76.88   ? 4   A 1 c
ATOM 61   H HD11 . ILE Axp A    4   ? 29.25  85.694 21.166 1   101.337 ? 4   A 1 c
ATOM 62   H HD12 . ILE Axp A    4   ? 28.143 86.775 20.79  1   101.448 ? 4   A 1 c
ATOM 63   H HD13 . ILE Axp A    4   ? 27.97  85.263 20.322 1   101.448 ? 4   A 1 c
ATOM 64   N N    . LEU Axp A    5   ? 27.476 82.181 25.867 1   74.499  ? 5   A 1 .
ATOM 65   C CA   . LEU Axp A    5   ? 27.741 80.907 26.52  1   72.594  ? 5   A 1 .
ATOM 66   C C    . LEU Axp A    5   ? 26.682 79.92  26.055 1   70.221  ? 5   A 1 .
ATOM 67   O O    . LEU Axp A    5   ? 25.51  80.248 25.961 1   71.903  ? 5   A 1 .
ATOM 68   C CB   . LEU Axp A    5   ? 27.725 81.051 28.047 1   70.73   ? 5   A 1 .
ATOM 69   C CG   . LEU Axp A    5   ? 27.645 79.766 28.886 1   63.136  ? 5   A 1 .
ATOM 70   C CD1  . LEU Axp A    5   ? 28.725 78.823 28.452 1   68.225  ? 5   A 1 .
ATOM 71   C CD2  . LEU Axp A    5   ? 27.782 79.992 30.388 1   55.042  ? 5   A 1 .
ATOM 72   H H    . LEU Axp A    5   ? 26.764 82.675 26.156 1   73.701  ? 5   A 1 c
ATOM 73   H HA   . LEU Axp A    5   ? 28.631 80.584 26.232 1   71.971  ? 5   A 1 c
ATOM 74   H HB3  . LEU Axp A    5   ? 26.959 81.621 28.288 1   69.326  ? 5   A 1 c
ATOM 75   H HB2  . LEU Axp A    5   ? 28.534 81.543 28.315 1   69.135  ? 5   A 1 c
ATOM 76   H HG   . LEU Axp A    5   ? 26.767 79.335 28.718 1   63.798  ? 5   A 1 c
ATOM 77   H HD11 . LEU Axp A    5   ? 28.342 78.122 27.9   1   66.435  ? 5   A 1 c
ATOM 78   H HD12 . LEU Axp A    5   ? 29.14  78.421 29.233 1   66.391  ? 5   A 1 c
ATOM 79   H HD13 . LEU Axp A    5   ? 29.398 79.305 27.945 1   66.524  ? 5   A 1 c
ATOM 80   H HD21 . LEU Axp A    5   ? 27.143 80.666 30.675 1   57.355  ? 5   A 1 c
ATOM 81   H HD22 . LEU Axp A    5   ? 28.683 80.296 30.59  1   57.443  ? 5   A 1 c
ATOM 82   H HD23 . LEU Axp A    5   ? 27.608 79.161 30.86  1   57.401  ? 5   A 1 c
ATOM 83   N N    . GLY Axp A    6   ? 27.108 78.696 25.783 1   64.349  ? 6   A 1 .
ATOM 84   C CA   . GLY Axp A    6   ? 26.184 77.675 25.34  1   55.145  ? 6   A 1 .
ATOM 85   C C    . GLY Axp A    6   ? 26.502 76.341 25.986 1   49.287  ? 6   A 1 .
ATOM 86   O O    . GLY Axp A    6   ? 27.653 76.037 26.285 1   45.553  ? 6   A 1 .
ATOM 87   H H    . GLY Axp A    6   ? 27.997 78.494 25.844 1   63.525  ? 6   A 1 c
ATOM 88   H HA3  . GLY Axp A    6   ? 26.24  77.591 24.359 1   55.817  ? 6   A 1 c
ATOM 89   H HA2  . GLY Axp A    6   ? 25.264 77.943 25.571 1   55.878  ? 6   A 1 c
ATOM 90   N N    . PHE Axp A    7   ? 25.448 75.549 26.13  1   46.238  ? 7   A 1 .
ATOM 91   C CA   . PHE Axp A    7   ? 25.452 74.326 26.906 1   47.615  ? 7   A 1 .
ATOM 92   C C    . PHE Axp A    7   ? 24.033 73.784 26.883 1   48.247  ? 7   A 1 .
ATOM 93   O O    . PHE Axp A    7   ? 23.132 74.514 26.506 1   54.348  ? 7   A 1 .
ATOM 94   C CB   . PHE Axp A    7   ? 25.835 74.574 28.363 1   51.281  ? 7   A 1 .
ATOM 95   C CG   . PHE Axp A    7   ? 25.944 73.276 29.142 1   46.893  ? 7   A 1 .
ATOM 96   C CD1  . PHE Axp A    7   ? 26.989 72.383 28.89  1   46.125  ? 7   A 1 .
ATOM 97   C CD2  . PHE Axp A    7   ? 24.984 72.966 30.095 1   42.449  ? 7   A 1 .
ATOM 98   C CE1  . PHE Axp A    7   ? 27.06  71.189 29.568 1   47.228  ? 7   A 1 .
ATOM 99   C CE2  . PHE Axp A    7   ? 25.06  71.774 30.774 1   46.09   ? 7   A 1 .
ATOM 100  C CZ   . PHE Axp A    7   ? 26.094 70.887 30.506 1   50.69   ? 7   A 1 .
ATOM 101  H H    . PHE Axp A    7   ? 24.672 75.786 25.709 1   47.387  ? 7   A 1 c
ATOM 102  H HA   . PHE Axp A    7   ? 26.069 73.67  26.503 1   48.298  ? 7   A 1 c
ATOM 103  H HB3  . PHE Axp A    7   ? 25.151 75.145 28.778 1   49.347  ? 7   A 1 c
ATOM 104  H HB2  . PHE Axp A    7   ? 26.691 75.047 28.395 1   49.512  ? 7   A 1 c
ATOM 105  H HD1  . PHE Axp A    7   ? 27.625 72.585 28.229 1   47.066  ? 7   A 1 c
ATOM 106  H HD2  . PHE Axp A    7   ? 24.273 73.564 30.261 1   44.532  ? 7   A 1 c
ATOM 107  H HE1  . PHE Axp A    7   ? 27.765 70.586 29.397 1   47.854  ? 7   A 1 c
ATOM 108  H HE2  . PHE Axp A    7   ? 24.413 71.561 31.425 1   46.306  ? 7   A 1 c
ATOM 109  H HZ   . PHE Axp A    7   ? 26.153 70.079 30.992 1   48.691  ? 7   A 1 c
ATOM 110  N N    . TRP Axp A    8   ? 23.818 72.526 27.262 1   49.331  ? 8   A 1 .
ATOM 111  C CA   . TRP Axp A    8   ? 22.458 72.037 27.374 1   54.895  ? 8   A 1 .
ATOM 112  C C    . TRP Axp A    8   ? 21.632 72.982 28.226 1   69.582  ? 8   A 1 .
ATOM 113  O O    . TRP Axp A    8   ? 22.079 74.068 28.597 1   69.134  ? 8   A 1 .
ATOM 114  C CB   . TRP Axp A    8   ? 22.406 70.669 28.035 1   51.717  ? 8   A 1 .
ATOM 115  C CG   . TRP Axp A    8   ? 22.997 69.601 27.186 1   61.065  ? 8   A 1 .
ATOM 116  C CD1  . TRP Axp A    8   ? 24.016 68.78  27.539 1   69.444  ? 8   A 1 .
ATOM 117  C CD2  . TRP Axp A    8   ? 22.555 69.174 25.889 1   68.465  ? 8   A 1 .
ATOM 118  N NE1  . TRP Axp A    8   ? 24.274 67.899 26.529 1   74.987  ? 8   A 1 .
ATOM 119  C CE2  . TRP Axp A    8   ? 23.39  68.101 25.512 1   70.161  ? 8   A 1 .
ATOM 120  C CE3  . TRP Axp A    8   ? 21.553 69.59  25.022 1   69.174  ? 8   A 1 .
ATOM 121  C CZ2  . TRP Axp A    8   ? 23.26  67.427 24.31  1   65.564  ? 8   A 1 .
ATOM 122  C CZ3  . TRP Axp A    8   ? 21.412 68.921 23.832 1   74.902  ? 8   A 1 .
ATOM 123  C CH2  . TRP Axp A    8   ? 22.245 67.849 23.495 1   77.858  ? 8   A 1 .
ATOM 124  H H    . TRP Axp A    8   ? 24.518 71.963 27.431 1   50.242  ? 8   A 1 c
ATOM 125  H HA   . TRP Axp A    8   ? 22.057 71.977 26.466 1   55.747  ? 8   A 1 c
ATOM 126  H HB3  . TRP Axp A    8   ? 21.473 70.436 28.227 1   54.857  ? 8   A 1 c
ATOM 127  H HB2  . TRP Axp A    8   ? 22.898 70.711 28.883 1   54.562  ? 8   A 1 c
ATOM 128  H HD1  . TRP Axp A    8   ? 24.508 68.83  28.343 1   68.546  ? 8   A 1 c
ATOM 129  H HE1  . TRP Axp A    8   ? 24.895 67.286 26.543 1   72.297  ? 8   A 1 c
ATOM 130  H HE3  . TRP Axp A    8   ? 20.977 70.295 25.254 1   70.26   ? 8   A 1 c
ATOM 131  H HZ2  . TRP Axp A    8   ? 23.821 66.706 24.08  1   69.381  ? 8   A 1 c
ATOM 132  H HZ3  . TRP Axp A    8   ? 20.734 69.183 23.232 1   74.024  ? 8   A 1 c
ATOM 133  H HH2  . TRP Axp A    8   ? 22.129 67.426 22.665 1   74.217  ? 8   A 1 c
ATOM 134  N N    . LYS Axp A    9   ? 20.423 72.508 28.551 1   77.697  ? 9   A 1 .
ATOM 135  C CA   . LYS Axp A    9   ? 19.534 73.211 29.453 1   73.185  ? 9   A 1 .
ATOM 136  C C    . LYS Axp A    9   ? 19.332 72.363 30.697 1   66.918  ? 9   A 1 .
ATOM 137  O O    . LYS Axp A    9   ? 18.268 71.779 30.899 1   60.044  ? 9   A 1 .
ATOM 138  C CB   . LYS Axp A    9   ? 18.189 73.549 28.811 1   71.962  ? 9   A 1 .
ATOM 139  C CG   . LYS Axp A    9   ? 17.259 74.335 29.715 1   67.35   ? 9   A 1 .
ATOM 140  C CD   . LYS Axp A    9   ? 16.197 75.057 28.907 1   70.72   ? 9   A 1 .
ATOM 141  C CE   . LYS Axp A    9   ? 15.315 75.879 29.766 1   75.874  ? 9   A 1 .
ATOM 142  N NZ   . LYS Axp A    9   ? 14.253 76.426 28.924 1   83.793  ? 9   A 1 .
ATOM 143  H H    . LYS Axp A    9   ? 20.125 71.738 28.162 1   74.01   ? 9   A 1 c
ATOM 144  H HA   . LYS Axp A    9   ? 19.967 74.061 29.723 1   72.518  ? 9   A 1 c
ATOM 145  H HB3  . LYS Axp A    9   ? 17.742 72.716 28.55  1   71.093  ? 9   A 1 c
ATOM 146  H HB2  . LYS Axp A    9   ? 18.349 74.07  27.996 1   71.205  ? 9   A 1 c
ATOM 147  H HG3  . LYS Axp A    9   ? 17.782 74.989 30.224 1   69.326  ? 9   A 1 c
ATOM 148  H HG2  . LYS Axp A    9   ? 16.826 73.721 30.346 1   69.109  ? 9   A 1 c
ATOM 149  H HD3  . LYS Axp A    9   ? 15.653 74.396 28.425 1   71.178  ? 9   A 1 c
ATOM 150  H HD2  . LYS Axp A    9   ? 16.633 75.637 28.245 1   71.177  ? 9   A 1 c
ATOM 151  H HE3  . LYS Axp A    9   ? 15.819 76.607 30.171 1   76.425  ? 9   A 1 c
ATOM 152  H HE2  . LYS Axp A    9   ? 14.925 75.332 30.472 1   76.425  ? 9   A 1 c
ATOM 153  H HZ1  . LYS Axp A    9   ? 13.747 75.753 28.588 1   81.1    ? 9   A 1 c
ATOM 154  H HZ2  . LYS Axp A    9   ? 14.613 76.899 28.239 1   81.099  ? 9   A 1 c
ATOM 155  H HZ3  . LYS Axp A    9   ? 13.726 76.974 29.417 1   81.206  ? 9   A 1 c
ATOM 156  N N    . ILE Axp A    10  ? 20.39  72.357 31.515 1   66.753  ? 10  A 1 .
ATOM 157  C CA   . ILE Axp A    10  ? 20.414 71.69  32.804 1   59.971  ? 10  A 1 .
ATOM 158  C C    . ILE Axp A    10  ? 21.433 72.405 33.703 1   51.772  ? 10  A 1 .
ATOM 159  O O    . ILE Axp A    10  ? 21.722 73.585 33.531 1   45.778  ? 10  A 1 .
ATOM 160  C CB   . ILE Axp A    10  ? 20.711 70.195 32.587 1   52.517  ? 10  A 1 .
ATOM 161  C CG1  . ILE Axp A    10  ? 21.99  70     31.832 1   54.068  ? 10  A 1 .
ATOM 162  C CG2  . ILE Axp A    10  ? 19.571 69.498 31.861 1   48.231  ? 10  A 1 .
ATOM 163  C CD1  . ILE Axp A    10  ? 22.374 68.54  31.691 1   55.684  ? 10  A 1 .
ATOM 164  H H    . ILE Axp A    10  ? 21.146 72.794 31.244 1   65.192  ? 10  A 1 c
ATOM 165  H HA   . ILE Axp A    10  ? 19.53  71.774 33.212 1   58.181  ? 10  A 1 c
ATOM 166  H HB   . ILE Axp A    10  ? 20.81  69.772 33.461 1   53.18   ? 10  A 1 c
ATOM 167  H HG12 . ILE Axp A    10  ? 22.709 70.472 32.298 1   54      ? 10  A 1 c
ATOM 168  H HG13 . ILE Axp A    10  ? 21.898 70.392 30.94  1   54.093  ? 10  A 1 c
ATOM 169  H HG21 . ILE Axp A    10  ? 19.586 68.551 32.063 1   50.165  ? 10  A 1 c
ATOM 170  H HG22 . ILE Axp A    10  ? 19.671 69.621 30.902 1   49.887  ? 10  A 1 c
ATOM 171  H HG23 . ILE Axp A    10  ? 18.726 69.874 32.146 1   50.121  ? 10  A 1 c
ATOM 172  H HD11 . ILE Axp A    10  ? 22.581 68.179 32.573 1   55.435  ? 10  A 1 c
ATOM 173  H HD12 . ILE Axp A    10  ? 23.164 68.472 31.122 1   55.26   ? 10  A 1 c
ATOM 174  H HD13 . ILE Axp A    10  ? 21.646 68.029 31.292 1   55.277  ? 10  A 1 c
ATOM 175  N N    . LYS Axp A    11  ? 21.976 71.689 34.679 1   46.94   ? 11  A 1 .
ATOM 176  C CA   . LYS Axp A    11  ? 22.998 72.255 35.533 1   51.078  ? 11  A 1 .
ATOM 177  C C    . LYS Axp A    11  ? 24.371 71.693 35.191 1   54.886  ? 11  A 1 .
ATOM 178  O O    . LYS Axp A    11  ? 25.348 72.439 35.106 1   50.151  ? 11  A 1 .
ATOM 179  C CB   . LYS Axp A    11  ? 22.568 71.941 36.958 1   49.512  ? 11  A 1 .
ATOM 180  C CG   . LYS Axp A    11  ? 21.265 72.625 37.243 1   50.474  ? 11  A 1 .
ATOM 181  C CD   . LYS Axp A    11  ? 21.043 72.67  38.742 1   56.144  ? 11  A 1 .
ATOM 182  C CE   . LYS Axp A    11  ? 19.895 73.519 39.132 1   57.791  ? 11  A 1 .
ATOM 183  N NZ   . LYS Axp A    11  ? 19.664 73.471 40.58  1   59.601  ? 11  A 1 .
ATOM 184  H H    . LYS Axp A    11  ? 21.69  70.836 34.838 1   49.203  ? 11  A 1 c
ATOM 185  H HA   . LYS Axp A    11  ? 23.015 73.237 35.408 1   50.599  ? 11  A 1 c
ATOM 186  H HB3  . LYS Axp A    11  ? 23.249 72.257 37.588 1   50.168  ? 11  A 1 c
ATOM 187  H HB2  . LYS Axp A    11  ? 22.461 70.973 37.071 1   50.187  ? 11  A 1 c
ATOM 188  H HG3  . LYS Axp A    11  ? 20.535 72.128 36.815 1   51.553  ? 11  A 1 c
ATOM 189  H HG2  . LYS Axp A    11  ? 21.286 73.536 36.882 1   51.511  ? 11  A 1 c
ATOM 190  H HD3  . LYS Axp A    11  ? 21.854 73.013 39.176 1   55.099  ? 11  A 1 c
ATOM 191  H HD2  . LYS Axp A    11  ? 20.891 71.758 39.067 1   55.121  ? 11  A 1 c
ATOM 192  H HE3  . LYS Axp A    11  ? 19.094 73.213 38.672 1   57.975  ? 11  A 1 c
ATOM 193  H HE2  . LYS Axp A    11  ? 20.076 74.44  38.873 1   57.985  ? 11  A 1 c
ATOM 194  H HZ1  . LYS Axp A    11  ? 20.393 73.783 41.017 1   59.034  ? 11  A 1 c
ATOM 195  H HZ2  . LYS Axp A    11  ? 19.506 72.617 40.836 1   59.021  ? 11  A 1 c
ATOM 196  H HZ3  . LYS Axp A    11  ? 18.947 73.984 40.792 1   59.034  ? 11  A 1 c
ATOM 197  N N    . GLY Axp A    12  ? 24.429 70.367 35.049 1   61.919  ? 12  A 1 .
ATOM 198  C CA   . GLY Axp A    12  ? 25.612 69.707 34.535 1   66.906  ? 12  A 1 .
ATOM 199  C C    . GLY Axp A    12  ? 26.845 70.337 35.162 1   73.406  ? 12  A 1 .
ATOM 200  O O    . GLY Axp A    12  ? 27.01  70.223 36.375 1   92.237  ? 12  A 1 .
ATOM 201  H H    . GLY Axp A    12  ? 23.711 69.856 35.291 1   60.942  ? 12  A 1 c
ATOM 202  H HA3  . GLY Axp A    12  ? 25.644 69.801 33.554 1   67.028  ? 12  A 1 c
ATOM 203  H HA2  . GLY Axp A    12  ? 25.576 68.746 34.755 1   67.049  ? 12  A 1 c
ATOM 204  N N    . LEU Axp A    13  ? 27.647 71.043 34.345 1   64.957  ? 13  A 1 .
ATOM 205  C CA   . LEU Axp A    13  ? 28.934 71.555 34.788 1   60.464  ? 13  A 1 .
ATOM 206  C C    . LEU Axp A    13  ? 29.031 73.058 34.566 1   58.731  ? 13  A 1 .
ATOM 207  O O    . LEU Axp A    13  ? 30.022 73.706 34.917 1   64.877  ? 13  A 1 .
ATOM 208  C CB   . LEU Axp A    13  ? 30.072 70.791 34.129 1   58.728  ? 13  A 1 .
ATOM 209  C CG   . LEU Axp A    13  ? 29.791 70.156 32.769 1   59.45   ? 13  A 1 .
ATOM 210  C CD1  . LEU Axp A    13  ? 31.076 69.561 32.276 1   64.262  ? 13  A 1 .
ATOM 211  C CD2  . LEU Axp A    13  ? 28.761 69.048 32.822 1   56.93   ? 13  A 1 .
ATOM 212  H H    . LEU Axp A    13  ? 27.374 71.216 33.49  1   65.476  ? 13  A 1 c
ATOM 213  H HA   . LEU Axp A    13  ? 28.992 71.406 35.766 1   60.884  ? 13  A 1 c
ATOM 214  H HB3  . LEU Axp A    13  ? 30.357 70.079 34.747 1   59.312  ? 13  A 1 c
ATOM 215  H HB2  . LEU Axp A    13  ? 30.835 71.406 34.03  1   59.364  ? 13  A 1 c
ATOM 216  H HG   . LEU Axp A    13  ? 29.49  70.859 32.137 1   59.71   ? 13  A 1 c
ATOM 217  H HD11 . LEU Axp A    13  ? 31.788 69.745 32.911 1   62.539  ? 13  A 1 c
ATOM 218  H HD12 . LEU Axp A    13  ? 31.303 69.949 31.415 1   62.607  ? 13  A 1 c
ATOM 219  H HD13 . LEU Axp A    13  ? 30.979 68.599 32.179 1   62.622  ? 13  A 1 c
ATOM 220  H HD21 . LEU Axp A    13  ? 27.897 69.391 32.54  1   57.821  ? 13  A 1 c
ATOM 221  H HD22 . LEU Axp A    13  ? 28.694 68.708 33.73  1   57.831  ? 13  A 1 c
ATOM 222  H HD23 . LEU Axp A    13  ? 29.024 68.325 32.227 1   57.806  ? 13  A 1 c
ATOM 223  N N    . VAL Axp A    14  ? 27.944 73.622 34.069 1   55.413  ? 14  A 1 .
ATOM 224  C CA   . VAL Axp A    14  ? 27.955 75.008 33.663 1   54.415  ? 14  A 1 .
ATOM 225  C C    . VAL Axp A    14  ? 27.461 75.902 34.8   1   52.174  ? 14  A 1 .
ATOM 226  O O    . VAL Axp A    14  ? 27.838 77.062 34.846 1   55.246  ? 14  A 1 .
ATOM 227  C CB   . VAL Axp A    14  ? 27.093 75.124 32.395 1   55.657  ? 14  A 1 .
ATOM 228  C CG1  . VAL Axp A    14  ? 25.653 74.681 32.634 1   60.833  ? 14  A 1 .
ATOM 229  C CG2  . VAL Axp A    14  ? 27.131 76.536 31.837 1   57.921  ? 14  A 1 .
ATOM 230  H H    . VAL Axp A    14  ? 27.168 73.145 34.004 1   56.165  ? 14  A 1 c
ATOM 231  H HA   . VAL Axp A    14  ? 28.871 75.262 33.439 1   54.51   ? 14  A 1 c
ATOM 232  H HB   . VAL Axp A    14  ? 27.486 74.522 31.72  1   56.771  ? 14  A 1 c
ATOM 233  H HG11 . VAL Axp A    14  ? 25.328 75.059 33.467 1   59.108  ? 14  A 1 c
ATOM 234  H HG12 . VAL Axp A    14  ? 25.613 73.712 32.682 1   58.981  ? 14  A 1 c
ATOM 235  H HG13 . VAL Axp A    14  ? 25.095 74.99  31.902 1   58.992  ? 14  A 1 c
ATOM 236  H HG21 . VAL Axp A    14  ? 26.892 76.52  30.895 1   57.233  ? 14  A 1 c
ATOM 237  H HG22 . VAL Axp A    14  ? 28.026 76.902 31.937 1   57.205  ? 14  A 1 c
ATOM 238  H HG23 . VAL Axp A    14  ? 26.498 77.094 32.321 1   57.23   ? 14  A 1 c
ATOM 239  N N    . GLN Axp A    15  ? 26.598 75.376 35.686 1   51.336  ? 15  A 1 .
ATOM 240  C CA   . GLN Axp A    15  ? 25.876 76.17  36.685 1   51.455  ? 15  A 1 .
ATOM 241  C C    . GLN Axp A    15  ? 26.836 76.985 37.552 1   50.201  ? 15  A 1 .
ATOM 242  O O    . GLN Axp A    15  ? 26.667 78.187 37.704 1   44.277  ? 15  A 1 .
ATOM 243  C CB   . GLN Axp A    15  ? 25.029 75.261 37.578 1   51.306  ? 15  A 1 .
ATOM 244  C CG   . GLN Axp A    15  ? 24.048 75.993 38.486 1   51.585  ? 15  A 1 .
ATOM 245  C CD   . GLN Axp A    15  ? 22.787 76.46  37.783 1   56.716  ? 15  A 1 .
ATOM 246  O OE1  . GLN Axp A    15  ? 22.158 75.76  36.988 1   56.062  ? 15  A 1 .
ATOM 247  N NE2  . GLN Axp A    15  ? 22.373 77.677 38.066 1   65.147  ? 15  A 1 .
ATOM 248  H H    . GLN Axp A    15  ? 26.451 74.474 35.668 1   51.643  ? 15  A 1 c
ATOM 249  H HA   . GLN Axp A    15  ? 25.275 76.793 36.211 1   51.133  ? 15  A 1 c
ATOM 250  H HB3  . GLN Axp A    15  ? 25.625 74.722 38.135 1   51.533  ? 15  A 1 c
ATOM 251  H HB2  . GLN Axp A    15  ? 24.527 74.646 37.004 1   51.478  ? 15  A 1 c
ATOM 252  H HG3  . GLN Axp A    15  ? 24.492 76.773 38.88  1   52.714  ? 15  A 1 c
ATOM 253  H HG2  . GLN Axp A    15  ? 23.79  75.398 39.222 1   52.669  ? 15  A 1 c
ATOM 254  H HE21 . GLN Axp A    15  ? 22.098 78.213 37.415 1   62.426  ? 15  A 1 c
ATOM 255  H HE22 . GLN Axp A    15  ? 22.371 77.959 38.907 1   62.426  ? 15  A 1 c
ATOM 256  N N    . PRO Axp A    16  ? 27.908 76.389 38.122 1   55.485  ? 16  A 1 .
ATOM 257  C CA   . PRO Axp A    16  ? 28.897 77.175 38.84  1   53.997  ? 16  A 1 .
ATOM 258  C C    . PRO Axp A    16  ? 29.372 78.358 38.004 1   54.049  ? 16  A 1 .
ATOM 259  O O    . PRO Axp A    16  ? 29.621 79.439 38.512 1   50.021  ? 16  A 1 .
ATOM 260  C CB   . PRO Axp A    16  ? 30.026 76.181 39.101 1   56.059  ? 16  A 1 .
ATOM 261  C CG   . PRO Axp A    16  ? 29.324 74.841 39.08  1   60.784  ? 16  A 1 .
ATOM 262  C CD   . PRO Axp A    16  ? 28.322 74.984 37.977 1   62.701  ? 16  A 1 .
ATOM 263  H HA   . PRO Axp A    16  ? 28.519 77.492 39.687 1   54.663  ? 16  A 1 c
ATOM 264  H HB3  . PRO Axp A    16  ? 30.444 76.347 39.968 1   56.461  ? 16  A 1 c
ATOM 265  H HB2  . PRO Axp A    16  ? 30.707 76.231 38.402 1   56.575  ? 16  A 1 c
ATOM 266  H HG3  . PRO Axp A    16  ? 28.88  74.662 39.933 1   60.043  ? 16  A 1 c
ATOM 267  H HG2  . PRO Axp A    16  ? 29.952 74.117 38.888 1   60.099  ? 16  A 1 c
ATOM 268  H HD3  . PRO Axp A    16  ? 28.729 74.827 37.104 1   60.392  ? 16  A 1 c
ATOM 269  H HD2  . PRO Axp A    16  ? 27.57  74.378 38.1   1   60.323  ? 16  A 1 c
ATOM 270  N N    . THR Axp A    17  ? 29.48  78.148 36.691 1   57.198  ? 17  A 1 .
ATOM 271  C CA   . THR Axp A    17  ? 29.885 79.212 35.789 1   48.307  ? 17  A 1 .
ATOM 272  C C    . THR Axp A    17  ? 28.739 80.21  35.676 1   43.933  ? 17  A 1 .
ATOM 273  O O    . THR Axp A    17  ? 28.971 81.404 35.71  1   43.19   ? 17  A 1 .
ATOM 274  C CB   . THR Axp A    17  ? 30.297 78.661 34.42  1   43.907  ? 17  A 1 .
ATOM 275  O OG1  . THR Axp A    17  ? 30.8   77.33  34.565 1   41.413  ? 17  A 1 .
ATOM 276  C CG2  . THR Axp A    17  ? 31.339 79.543 33.757 1   41.655  ? 17  A 1 .
ATOM 277  H H    . THR Axp A    17  ? 29.322 77.316 36.349 1   54.214  ? 17  A 1 c
ATOM 278  H HA   . THR Axp A    17  ? 30.66  79.669 36.183 1   48.147  ? 17  A 1 c
ATOM 279  H HB   . THR Axp A    17  ? 29.505 78.64  33.831 1   43.796  ? 17  A 1 c
ATOM 280  H HG1  . THR Axp A    17  ? 31.455 77.228 35.003 0   15.03   ? 17  A 1 c
ATOM 281  H HG21 . THR Axp A    17  ? 31.24  79.491 32.792 1   42.281  ? 17  A 1 c
ATOM 282  H HG22 . THR Axp A    17  ? 32.228 79.24  34.007 1   42.199  ? 17  A 1 c
ATOM 283  H HG23 . THR Axp A    17  ? 31.218 80.464 34.045 1   42.348  ? 17  A 1 c
ATOM 284  N N    . ARG Axp A    18  ? 27.505 79.725 35.529 1   44.128  ? 18  A 1 .
ATOM 285  C CA   . ARG Axp A    18  ? 26.356 80.619 35.473 1   44.901  ? 18  A 1 .
ATOM 286  C C    . ARG Axp A    18  ? 26.382 81.567 36.671 1   42.716  ? 18  A 1 .
ATOM 287  O O    . ARG Axp A    18  ? 26.426 82.785 36.505 1   35.243  ? 18  A 1 .
ATOM 288  C CB   . ARG Axp A    18  ? 25.037 79.837 35.45  1   45.802  ? 18  A 1 .
ATOM 289  C CG   . ARG Axp A    18  ? 24.629 79.379 34.058 1   47.435  ? 18  A 1 .
ATOM 290  C CD   . ARG Axp A    18  ? 23.708 78.182 34.117 1   50.35   ? 18  A 1 .
ATOM 291  N NE   . ARG Axp A    18  ? 23.303 77.774 32.769 1   55.149  ? 18  A 1 .
ATOM 292  C CZ   . ARG Axp A    18  ? 22.881 76.561 32.399 1   64.873  ? 18  A 1 .
ATOM 293  N NH1  . ARG Axp A    18  ? 22.78  75.579 33.276 1   66.002  ? 18  A 1 .
ATOM 294  N NH2  . ARG Axp A    18  ? 22.564 76.32  31.135 1   69.129  ? 18  A 1 .
ATOM 295  H H    . ARG Axp A    18  ? 27.374 78.825 35.448 1   44.407  ? 18  A 1 c
ATOM 296  H HA   . ARG Axp A    18  ? 26.422 81.157 34.644 1   44.518  ? 18  A 1 c
ATOM 297  H HB3  . ARG Axp A    18  ? 24.325 80.405 35.816 1   45.958  ? 18  A 1 c
ATOM 298  H HB2  . ARG Axp A    18  ? 25.12  79.053 36.03  1   46.027  ? 18  A 1 c
ATOM 299  H HG3  . ARG Axp A    18  ? 25.432 79.143 33.545 1   47.692  ? 18  A 1 c
ATOM 300  H HG2  . ARG Axp A    18  ? 24.172 80.114 33.594 1   47.705  ? 18  A 1 c
ATOM 301  H HD3  . ARG Axp A    18  ? 22.912 78.405 34.642 1   50.779  ? 18  A 1 c
ATOM 302  H HD2  . ARG Axp A    18  ? 24.165 77.439 34.555 1   50.879  ? 18  A 1 c
ATOM 303  H HE   . ARG Axp A    18  ? 23.337 78.379 32.143 1   56.213  ? 18  A 1 c
ATOM 304  H HH11 . ARG Axp A    18  ? 22.532 75.75  34.107 1   65.39   ? 18  A 1 c
ATOM 305  H HH12 . ARG Axp A    18  ? 22.952 74.75  33.024 1   65.506  ? 18  A 1 c
ATOM 306  H HH21 . ARG Axp A    18  ? 23.053 76.667 30.486 1   67.69   ? 18  A 1 c
ATOM 307  H HH22 . ARG Axp A    18  ? 21.864 75.813 30.947 1   67.767  ? 18  A 1 c
ATOM 308  N N    . LEU Axp A    19  ? 26.376 80.956 37.864 1   44.598  ? 19  A 1 .
ATOM 309  C CA   . LEU Axp A    19  ? 26.336 81.65  39.136 1   42.825  ? 19  A 1 .
ATOM 310  C C    . LEU Axp A    19  ? 27.391 82.736 39.13  1   41.917  ? 19  A 1 .
ATOM 311  O O    . LEU Axp A    19  ? 27.053 83.878 39.367 1   44.319  ? 19  A 1 .
ATOM 312  C CB   . LEU Axp A    19  ? 26.57  80.694 40.303 1   44.262  ? 19  A 1 .
ATOM 313  C CG   . LEU Axp A    19  ? 25.558 79.552 40.492 1   46.414  ? 19  A 1 .
ATOM 314  C CD1  . LEU Axp A    19  ? 25.885 78.723 41.716 1   48.896  ? 19  A 1 .
ATOM 315  C CD2  . LEU Axp A    19  ? 24.132 80.012 40.624 1   48.521  ? 19  A 1 .
ATOM 316  H H    . LEU Axp A    19  ? 26.404 80.043 37.877 1   43.8    ? 19  A 1 c
ATOM 317  H HA   . LEU Axp A    19  ? 25.445 82.072 39.232 1   43.309  ? 19  A 1 c
ATOM 318  H HB3  . LEU Axp A    19  ? 26.59  81.226 41.132 1   44.391  ? 19  A 1 c
ATOM 319  H HB2  . LEU Axp A    19  ? 27.465 80.296 40.196 1   44.405  ? 19  A 1 c
ATOM 320  H HG   . LEU Axp A    19  ? 25.612 78.958 39.702 1   46.817  ? 19  A 1 c
ATOM 321  H HD11 . LEU Axp A    19  ? 26.827 78.484 41.705 1   48.094  ? 19  A 1 c
ATOM 322  H HD12 . LEU Axp A    19  ? 25.346 77.914 41.713 1   48.006  ? 19  A 1 c
ATOM 323  H HD13 . LEU Axp A    19  ? 25.692 79.237 42.518 1   48.012  ? 19  A 1 c
ATOM 324  H HD21 . LEU Axp A    19  ? 23.835 80.398 39.783 1   47.828  ? 19  A 1 c
ATOM 325  H HD22 . LEU Axp A    19  ? 24.07  80.682 41.326 1   47.871  ? 19  A 1 c
ATOM 326  H HD23 . LEU Axp A    19  ? 23.565 79.255 40.849 1   47.877  ? 19  A 1 c
ATOM 327  N N    . LEU Axp A    20  ? 28.643 82.364 38.848 1   44.594  ? 20  A 1 .
ATOM 328  C CA   . LEU Axp A    20  ? 29.765 83.294 38.879 1   48.486  ? 20  A 1 .
ATOM 329  C C    . LEU Axp A    20  ? 29.461 84.498 37.991 1   54.909  ? 20  A 1 .
ATOM 330  O O    . LEU Axp A    20  ? 29.475 85.622 38.484 1   58.807  ? 20  A 1 .
ATOM 331  C CB   . LEU Axp A    20  ? 31.078 82.635 38.453 1   48.458  ? 20  A 1 .
ATOM 332  C CG   . LEU Axp A    20  ? 32.259 83.586 38.228 1   46.994  ? 20  A 1 .
ATOM 333  C CD1  . LEU Axp A    20  ? 32.523 84.423 39.483 1   46.512  ? 20  A 1 .
ATOM 334  C CD2  . LEU Axp A    20  ? 33.493 82.813 37.796 1   45.755  ? 20  A 1 .
ATOM 335  H H    . LEU Axp A    20  ? 28.807 81.491 38.63  1   44.785  ? 20  A 1 c
ATOM 336  H HA   . LEU Axp A    20  ? 29.86  83.617 39.811 1   48.845  ? 20  A 1 c
ATOM 337  H HB3  . LEU Axp A    20  ? 30.915 82.138 37.618 1   48.129  ? 20  A 1 c
ATOM 338  H HB2  . LEU Axp A    20  ? 31.332 81.981 39.145 1   48.129  ? 20  A 1 c
ATOM 339  H HG   . LEU Axp A    20  ? 32.021 84.207 37.492 1   46.973  ? 20  A 1 c
ATOM 340  H HD11 . LEU Axp A    20  ? 31.88  85.149 39.53  1   46.728  ? 20  A 1 c
ATOM 341  H HD12 . LEU Axp A    20  ? 33.422 84.79  39.448 1   46.664  ? 20  A 1 c
ATOM 342  H HD13 . LEU Axp A    20  ? 32.434 83.862 40.272 1   46.679  ? 20  A 1 c
ATOM 343  H HD21 . LEU Axp A    20  ? 33.376 82.497 36.884 1   46.126  ? 20  A 1 c
ATOM 344  H HD22 . LEU Axp A    20  ? 33.623 82.052 38.386 1   46.153  ? 20  A 1 c
ATOM 345  H HD23 . LEU Axp A    20  ? 34.273 83.392 37.839 1   46.129  ? 20  A 1 c
ATOM 346  N N    . LEU Axp A    21  ? 29.2   84.252 36.69  1   57.891  ? 21  A 1 .
ATOM 347  C CA   . LEU Axp A    21  ? 28.875 85.305 35.731 1   51.742  ? 21  A 1 .
ATOM 348  C C    . LEU Axp A    21  ? 27.905 86.252 36.418 1   49.973  ? 21  A 1 .
ATOM 349  O O    . LEU Axp A    21  ? 28.241 87.407 36.62  1   43.58   ? 21  A 1 .
ATOM 350  C CB   . LEU Axp A    21  ? 28.294 84.814 34.397 1   48.859  ? 21  A 1 .
ATOM 351  C CG   . LEU Axp A    21  ? 29.285 84.189 33.4   1   47.345  ? 21  A 1 .
ATOM 352  C CD1  . LEU Axp A    21  ? 28.555 83.578 32.233 1   47.447  ? 21  A 1 .
ATOM 353  C CD2  . LEU Axp A    21  ? 30.338 85.148 32.857 1   46.356  ? 21  A 1 .
ATOM 354  H H    . LEU Axp A    21  ? 29.227 83.388 36.393 1   55.574  ? 21  A 1 c
ATOM 355  H HA   . LEU Axp A    21  ? 29.709 85.808 35.545 1   51.89   ? 21  A 1 c
ATOM 356  H HB3  . LEU Axp A    21  ? 27.854 85.577 33.956 1   49.135  ? 21  A 1 c
ATOM 357  H HB2  . LEU Axp A    21  ? 27.595 84.15  34.595 1   49.05   ? 21  A 1 c
ATOM 358  H HG   . LEU Axp A    21  ? 29.763 83.457 33.868 1   47.36   ? 21  A 1 c
ATOM 359  H HD11 . LEU Axp A    21  ? 27.859 82.983 32.56  1   47.45   ? 21  A 1 c
ATOM 360  H HD12 . LEU Axp A    21  ? 29.18  83.072 31.687 1   47.436  ? 21  A 1 c
ATOM 361  H HD13 . LEU Axp A    21  ? 28.153 84.281 31.697 1   47.516  ? 21  A 1 c
ATOM 362  H HD21 . LEU Axp A    21  ? 30.956 85.386 33.566 1   46.533  ? 21  A 1 c
ATOM 363  H HD22 . LEU Axp A    21  ? 29.903 85.952 32.527 1   46.588  ? 21  A 1 c
ATOM 364  H HD23 . LEU Axp A    21  ? 30.824 84.725 32.131 1   46.463  ? 21  A 1 c
ATOM 365  N N    . GLU Axp A    22  ? 26.755 85.699 36.834 1   54.562  ? 22  A 1 .
ATOM 366  C CA   . GLU Axp A    22  ? 25.672 86.434 37.479 1   55.622  ? 22  A 1 .
ATOM 367  C C    . GLU Axp A    22  ? 26.157 87.27  38.659 1   51.14   ? 22  A 1 .
ATOM 368  O O    . GLU Axp A    22  ? 25.728 88.402 38.823 1   48.701  ? 22  A 1 .
ATOM 369  C CB   . GLU Axp A    22  ? 24.609 85.472 38.011 1   58.546  ? 22  A 1 .
ATOM 370  C CG   . GLU Axp A    22  ? 23.615 85.02  36.947 1   61.394  ? 22  A 1 .
ATOM 371  C CD   . GLU Axp A    22  ? 22.715 86.121 36.404 1   59.352  ? 22  A 1 .
ATOM 372  O OE1  . GLU Axp A    22  ? 22.351 87.016 37.203 1   60.191  ? 22  A 1 .
ATOM 373  O OE2  . GLU Axp A    22  ? 22.349 86.061 35.208 1   55.661  ? 22  A 1 .
ATOM 374  H H    . GLU Axp A    22  ? 26.64  84.802 36.702 1   53.718  ? 22  A 1 c
ATOM 375  H HA   . GLU Axp A    22  ? 25.264 87.038 36.809 1   55.095  ? 22  A 1 c
ATOM 376  H HB3  . GLU Axp A    22  ? 24.12  85.908 38.74  1   58.433  ? 22  A 1 c
ATOM 377  H HB2  . GLU Axp A    22  ? 25.051 84.682 38.381 1   58.353  ? 22  A 1 c
ATOM 378  H HG3  . GLU Axp A    22  ? 23.055 84.314 37.323 1   60.408  ? 22  A 1 c
ATOM 379  H HG2  . GLU Axp A    22  ? 24.111 84.629 36.196 1   60.293  ? 22  A 1 c
ATOM 380  N N    . TYR Axp A    23  ? 27.013 86.673 39.491 1   52.108  ? 23  A 1 .
ATOM 381  C CA   . TYR Axp A    23  ? 27.591 87.31  40.663 1   49.437  ? 23  A 1 .
ATOM 382  C C    . TYR Axp A    23  ? 28.361 88.576 40.303 1   50.304  ? 23  A 1 .
ATOM 383  O O    . TYR Axp A    23  ? 28.35  89.529 41.069 1   55.521  ? 23  A 1 .
ATOM 384  C CB   . TYR Axp A    23  ? 28.539 86.322 41.347 1   48.337  ? 23  A 1 .
ATOM 385  C CG   . TYR Axp A    23  ? 29.539 86.984 42.273 1   42.922  ? 23  A 1 .
ATOM 386  C CD1  . TYR Axp A    23  ? 29.115 87.549 43.464 1   40.98   ? 23  A 1 .
ATOM 387  C CD2  . TYR Axp A    23  ? 30.885 87.043 41.954 1   42.298  ? 23  A 1 .
ATOM 388  C CE1  . TYR Axp A    23  ? 30.003 88.16  44.329 1   40.398  ? 23  A 1 .
ATOM 389  C CE2  . TYR Axp A    23  ? 31.786 87.642 42.818 1   44.731  ? 23  A 1 .
ATOM 390  C CZ   . TYR Axp A    23  ? 31.346 88.202 44.01  1   42.578  ? 23  A 1 .
ATOM 391  O OH   . TYR Axp A    23  ? 32.214 88.813 44.877 1   44.732  ? 23  A 1 .
ATOM 392  H H    . TYR Axp A    23  ? 27.241 85.805 39.319 1   51.272  ? 23  A 1 c
ATOM 393  H HA   . TYR Axp A    23  ? 26.86  87.544 41.294 1   49.9    ? 23  A 1 c
ATOM 394  H HB3  . TYR Axp A    23  ? 29.026 85.821 40.659 1   47.35   ? 23  A 1 c
ATOM 395  H HB2  . TYR Axp A    23  ? 28.002 85.681 41.864 1   47.294  ? 23  A 1 c
ATOM 396  H HD1  . TYR Axp A    23  ? 28.199 87.519 43.691 1   41.359  ? 23  A 1 c
ATOM 397  H HD2  . TYR Axp A    23  ? 31.195 86.658 41.15  1   43.093  ? 23  A 1 c
ATOM 398  H HE1  . TYR Axp A    23  ? 29.697 88.536 45.136 1   41.106  ? 23  A 1 c
ATOM 399  H HE2  . TYR Axp A    23  ? 32.7   87.676 42.594 1   43.627  ? 23  A 1 c
ATOM 400  H HH   . TYR Axp A    23  ? 31.851 89.233 45.493 0   26.19   ? 23  A 1 c
ATOM 401  N N    . LEU Axp A    24  ? 29.04  88.575 39.151 1   52.901  ? 24  A 1 .
ATOM 402  C CA   . LEU Axp A    24  ? 29.79  89.734 38.685 1   53.485  ? 24  A 1 .
ATOM 403  C C    . LEU Axp A    24  ? 28.89  90.658 37.851 1   54.741  ? 24  A 1 .
ATOM 404  O O    . LEU Axp A    24  ? 29.391 91.554 37.177 1   51.882  ? 24  A 1 .
ATOM 405  C CB   . LEU Axp A    24  ? 30.98  89.246 37.854 1   50.534  ? 24  A 1 .
ATOM 406  C CG   . LEU Axp A    24  ? 31.872 88.179 38.491 1   46.636  ? 24  A 1 .
ATOM 407  C CD1  . LEU Axp A    24  ? 32.656 87.488 37.39  1   47.029  ? 24  A 1 .
ATOM 408  C CD2  . LEU Axp A    24  ? 32.779 88.77  39.541 1   42.389  ? 24  A 1 .
ATOM 409  H H    . LEU Axp A    24  ? 29.035 87.822 38.633 1   52.268  ? 24  A 1 c
ATOM 410  H HA   . LEU Axp A    24  ? 30.124 90.235 39.472 1   53.045  ? 24  A 1 c
ATOM 411  H HB3  . LEU Axp A    24  ? 31.54  90.026 37.637 1   50.227  ? 24  A 1 c
ATOM 412  H HB2  . LEU Axp A    24  ? 30.632 88.891 37.004 1   50.262  ? 24  A 1 c
ATOM 413  H HG   . LEU Axp A    24  ? 31.292 87.504 38.928 1   46.662  ? 24  A 1 c
ATOM 414  H HD11 . LEU Axp A    24  ? 32.062 86.911 36.881 1   46.921  ? 24  A 1 c
ATOM 415  H HD12 . LEU Axp A    24  ? 33.366 86.953 37.783 1   46.9    ? 24  A 1 c
ATOM 416  H HD13 . LEU Axp A    24  ? 33.042 88.154 36.8   1   46.968  ? 24  A 1 c
ATOM 417  H HD21 . LEU Axp A    24  ? 32.265 89.357 40.122 1   43.676  ? 24  A 1 c
ATOM 418  H HD22 . LEU Axp A    24  ? 33.486 89.28  39.111 1   43.644  ? 24  A 1 c
ATOM 419  H HD23 . LEU Axp A    24  ? 33.172 88.056 40.07  1   43.719  ? 24  A 1 c
ATOM 420  N N    . GLU Axp A    25  ? 27.566 90.431 37.87  1   54.456  ? 25  A 1 .
ATOM 421  C CA   . GLU Axp A    25  ? 26.634 91.116 36.989 1   53.555  ? 25  A 1 .
ATOM 422  C C    . GLU Axp A    25  ? 27.281 91.294 35.62  1   56.025  ? 25  A 1 .
ATOM 423  O O    . GLU Axp A    25  ? 27.582 92.398 35.19  1   55.626  ? 25  A 1 .
ATOM 424  C CB   . GLU Axp A    25  ? 26.256 92.459 37.603 1   51.954  ? 25  A 1 .
ATOM 425  C CG   . GLU Axp A    25  ? 25.55  92.349 38.948 1   48.786  ? 25  A 1 .
ATOM 426  C CD   . GLU Axp A    25  ? 25.762 93.604 39.757 1   49.312  ? 25  A 1 .
ATOM 427  O OE1  . GLU Axp A    25  ? 26.931 94.052 39.887 1   50.165  ? 25  A 1 .
ATOM 428  O OE2  . GLU Axp A    25  ? 24.738 94.124 40.234 1   49.334  ? 25  A 1 .
ATOM 429  H H    . GLU Axp A    25  ? 27.227 89.831 38.469 1   54.254  ? 25  A 1 c
ATOM 430  H HA   . GLU Axp A    25  ? 25.822 90.556 36.892 1   53.877  ? 25  A 1 c
ATOM 431  H HB3  . GLU Axp A    25  ? 25.666 92.934 36.981 1   51.588  ? 25  A 1 c
ATOM 432  H HB2  . GLU Axp A    25  ? 27.071 92.994 37.706 1   51.576  ? 25  A 1 c
ATOM 433  H HG3  . GLU Axp A    25  ? 25.903 91.582 39.446 1   49.631  ? 25  A 1 c
ATOM 434  H HG2  . GLU Axp A    25  ? 24.589 92.215 38.805 1   49.61   ? 25  A 1 c
ATOM 435  N N    . GLU Axp A    26  ? 27.562 90.178 34.964 1   62.142  ? 26  A 1 .
ATOM 436  C CA   . GLU Axp A    26  ? 28.181 90.228 33.658 1   65.515  ? 26  A 1 .
ATOM 437  C C    . GLU Axp A    26  ? 27.101 90.038 32.622 1   62.219  ? 26  A 1 .
ATOM 438  O O    . GLU Axp A    26  ? 26.051 89.491 32.913 1   59.293  ? 26  A 1 .
ATOM 439  C CB   . GLU Axp A    26  ? 29.225 89.137 33.463 1   77.223  ? 26  A 1 .
ATOM 440  C CG   . GLU Axp A    26  ? 30.625 89.618 33.826 1   78.644  ? 26  A 1 .
ATOM 441  C CD   . GLU Axp A    26  ? 31.213 90.513 32.764 1   72.992  ? 26  A 1 .
ATOM 442  O OE1  . GLU Axp A    26  ? 30.508 90.984 31.838 1   71.551  ? 26  A 1 .
ATOM 443  O OE2  . GLU Axp A    26  ? 32.434 90.685 32.896 1   77.504  ? 26  A 1 .
ATOM 444  H H    . GLU Axp A    26  ? 27.363 89.366 35.334 1   61.393  ? 26  A 1 c
ATOM 445  H HA   . GLU Axp A    26  ? 28.597 91.117 33.534 1   66.145  ? 26  A 1 c
ATOM 446  H HB3  . GLU Axp A    26  ? 29.213 88.839 32.529 1   74.493  ? 26  A 1 c
ATOM 447  H HB2  . GLU Axp A    26  ? 28.992 88.368 34.025 1   74.474  ? 26  A 1 c
ATOM 448  H HG3  . GLU Axp A    26  ? 31.213 88.843 33.949 1   76.989  ? 26  A 1 c
ATOM 449  H HG2  . GLU Axp A    26  ? 30.589 90.112 34.673 1   76.986  ? 26  A 1 c
ATOM 450  N N    . LYS Axp A    27  ? 27.397 90.511 31.424 1   64.83   ? 27  A 1 .
ATOM 451  C CA   . LYS Axp A    27  ? 26.442 90.484 30.347 1   67.571  ? 27  A 1 .
ATOM 452  C C    . LYS Axp A    27  ? 26.732 89.247 29.509 1   68.948  ? 27  A 1 .
ATOM 453  O O    . LYS Axp A    27  ? 27.871 89.04  29.092 1   70.214  ? 27  A 1 .
ATOM 454  C CB   . LYS Axp A    27  ? 26.679 91.826 29.655 1   78.122  ? 27  A 1 .
ATOM 455  C CG   . LYS Axp A    27  ? 25.532 92.278 28.796 1   97.662  ? 27  A 1 .
ATOM 456  C CD   . LYS Axp A    27  ? 25.752 93.639 28.148 1   110.341 ? 27  A 1 .
ATOM 457  C CE   . LYS Axp A    27  ? 24.658 93.994 27.181 1   114.113 ? 27  A 1 .
ATOM 458  N NZ   . LYS Axp A    27  ? 23.347 93.959 27.837 1   119.067 ? 27  A 1 .
ATOM 459  H H    . LYS Axp A    27  ? 28.229 90.855 31.269 1   65.01   ? 27  A 1 c
ATOM 460  H HA   . LYS Axp A    27  ? 25.524 90.439 30.719 1   68.961  ? 27  A 1 c
ATOM 461  H HB3  . LYS Axp A    27  ? 27.481 91.757 29.094 1   79.593  ? 27  A 1 c
ATOM 462  H HB2  . LYS Axp A    27  ? 26.847 92.513 30.336 1   79.426  ? 27  A 1 c
ATOM 463  H HG3  . LYS Axp A    27  ? 24.722 92.313 29.351 1   95.432  ? 27  A 1 c
ATOM 464  H HG2  . LYS Axp A    27  ? 25.385 91.608 28.093 1   95.344  ? 27  A 1 c
ATOM 465  H HD3  . LYS Axp A    27  ? 26.611 93.634 27.672 1   108.178 ? 27  A 1 c
ATOM 466  H HD2  . LYS Axp A    27  ? 25.796 94.326 28.849 1   108.224 ? 27  A 1 c
ATOM 467  H HE3  . LYS Axp A    27  ? 24.66  93.363 26.439 1   114.387 ? 27  A 1 c
ATOM 468  H HE2  . LYS Axp A    27  ? 24.812 94.887 26.824 1   114.387 ? 27  A 1 c
ATOM 469  H HZ1  . LYS Axp A    27  ? 23.419 94.239 28.696 1   117.287 ? 27  A 1 c
ATOM 470  H HZ2  . LYS Axp A    27  ? 23.019 93.114 27.824 1   117.366 ? 27  A 1 c
ATOM 471  H HZ3  . LYS Axp A    27  ? 22.773 94.504 27.396 1   117.446 ? 27  A 1 c
ATOM 472  N N    . TYR Axp A    28  ? 25.709 88.42  29.27  1   70.089  ? 28  A 1 .
ATOM 473  C CA   . TYR Axp A    28  ? 25.909 87.216 28.472 1   73.75   ? 28  A 1 .
ATOM 474  C C    . TYR Axp A    28  ? 24.589 86.611 28.003 1   74.175  ? 28  A 1 .
ATOM 475  O O    . TYR Axp A    28  ? 23.592 86.61  28.718 1   81.553  ? 28  A 1 .
ATOM 476  C CB   . TYR Axp A    28  ? 26.654 86.114 29.228 1   78.836  ? 28  A 1 .
ATOM 477  C CG   . TYR Axp A    28  ? 25.835 85.367 30.274 1   73.808  ? 28  A 1 .
ATOM 478  C CD1  . TYR Axp A    28  ? 25.251 86.03  31.342 1   75.632  ? 28  A 1 .
ATOM 479  C CD2  . TYR Axp A    28  ? 25.656 83.991 30.202 1   74.515  ? 28  A 1 .
ATOM 480  C CE1  . TYR Axp A    28  ? 24.518 85.354 32.308 1   72.692  ? 28  A 1 .
ATOM 481  C CE2  . TYR Axp A    28  ? 24.915 83.308 31.151 1   75.626  ? 28  A 1 .
ATOM 482  C CZ   . TYR Axp A    28  ? 24.338 83.986 32.207 1   73.944  ? 28  A 1 .
ATOM 483  O OH   . TYR Axp A    28  ? 23.604 83.274 33.118 1   72.87   ? 28  A 1 .
ATOM 484  H H    . TYR Axp A    28  ? 24.879 88.604 29.605 1   70.603  ? 28  A 1 c
ATOM 485  H HA   . TYR Axp A    28  ? 26.443 87.462 27.673 1   73.98   ? 28  A 1 c
ATOM 486  H HB3  . TYR Axp A    28  ? 27.436 86.513 29.669 1   76.414  ? 28  A 1 c
ATOM 487  H HB2  . TYR Axp A    28  ? 26.99  85.465 28.571 1   76.453  ? 28  A 1 c
ATOM 488  H HD1  . TYR Axp A    28  ? 25.364 86.964 31.423 1   74.503  ? 28  A 1 c
ATOM 489  H HD2  . TYR Axp A    28  ? 26.039 83.511 29.485 1   74.638  ? 28  A 1 c
ATOM 490  H HE1  . TYR Axp A    28  ? 24.122 85.829 33.018 1   73.682  ? 28  A 1 c
ATOM 491  H HE2  . TYR Axp A    28  ? 24.8   82.376 31.075 1   74.948  ? 28  A 1 c
ATOM 492  H HH   . TYR Axp A    28  ? 23.11  83.887 33.52  0   63.25   ? 28  A 1 c
ATOM 493  N N    . GLU Axp A    29  ? 24.618 86.071 26.781 1   79.42   ? 29  A 1 .
ATOM 494  C CA   . GLU Axp A    29  ? 23.452 85.475 26.149 1   85.546  ? 29  A 1 .
ATOM 495  C C    . GLU Axp A    29  ? 23.684 83.97  26.158 1   71.401  ? 29  A 1 .
ATOM 496  O O    . GLU Axp A    29  ? 24.805 83.51  26.013 1   64.184  ? 29  A 1 .
ATOM 497  C CB   . GLU Axp A    29  ? 23.193 85.973 24.717 1   105.121 ? 29  A 1 .
ATOM 498  C CG   . GLU Axp A    29  ? 22.836 87.457 24.555 1   118.541 ? 29  A 1 .
ATOM 499  C CD   . GLU Axp A    29  ? 21.407 87.919 24.859 1   128.111 ? 29  A 1 .
ATOM 500  O OE1  . GLU Axp A    29  ? 20.457 87.459 24.186 1   117.798 ? 29  A 1 .
ATOM 501  O OE2  . GLU Axp A    29  ? 21.237 88.765 25.77  1   130.583 ? 29  A 1 .
ATOM 502  H H    . GLU Axp A    29  ? 25.406 86.072 26.318 1   79.374  ? 29  A 1 c
ATOM 503  H HA   . GLU Axp A    29  ? 22.655 85.677 26.702 1   84.506  ? 29  A 1 c
ATOM 504  H HB3  . GLU Axp A    29  ? 22.461 85.445 24.334 1   102.907 ? 29  A 1 c
ATOM 505  H HB2  . GLU Axp A    29  ? 23.994 85.797 24.18  1   103.071 ? 29  A 1 c
ATOM 506  H HG3  . GLU Axp A    29  ? 23.04  87.718 23.632 1   117.43  ? 29  A 1 c
ATOM 507  H HG2  . GLU Axp A    29  ? 23.442 87.977 25.125 1   117.492 ? 29  A 1 c
ATOM 508  N N    . GLU Axp A    30  ? 22.608 83.203 26.314 1   70.382  ? 30  A 1 .
ATOM 509  C CA   . GLU Axp A    30  ? 22.708 81.768 26.509 1   72.404  ? 30  A 1 .
ATOM 510  C C    . GLU Axp A    30  ? 22.084 81.01  25.336 1   69.037  ? 30  A 1 .
ATOM 511  O O    . GLU Axp A    30  ? 20.952 81.238 24.941 1   81.987  ? 30  A 1 .
ATOM 512  C CB   . GLU Axp A    30  ? 22.015 81.484 27.84  1   74.874  ? 30  A 1 .
ATOM 513  C CG   . GLU Axp A    30  ? 22.891 80.752 28.847 1   74.733  ? 30  A 1 .
ATOM 514  C CD   . GLU Axp A    30  ? 22.11  80.378 30.094 1   74.209  ? 30  A 1 .
ATOM 515  O OE1  . GLU Axp A    30  ? 21.448 81.236 30.705 1   80.578  ? 30  A 1 .
ATOM 516  O OE2  . GLU Axp A    30  ? 22.149 79.196 30.44  1   66.904  ? 30  A 1 .
ATOM 517  H H    . GLU Axp A    30  ? 21.779 83.587 26.292 1   71.29   ? 30  A 1 c
ATOM 518  H HA   . GLU Axp A    30  ? 23.661 81.523 26.585 1   71.725  ? 30  A 1 c
ATOM 519  H HB3  . GLU Axp A    30  ? 21.2   80.981 27.672 1   74.401  ? 30  A 1 c
ATOM 520  H HB2  . GLU Axp A    30  ? 21.754 82.337 28.244 1   74.28   ? 30  A 1 c
ATOM 521  H HG3  . GLU Axp A    30  ? 23.645 81.325 29.102 1   74.635  ? 30  A 1 c
ATOM 522  H HG2  . GLU Axp A    30  ? 23.249 79.935 28.437 1   74.592  ? 30  A 1 c
ATOM 523  N N    . HIS Axp A    31  ? 22.824 80.059 24.798 1   66.227  ? 31  A 1 .
ATOM 524  C CA   . HIS Axp A    31  ? 22.311 79.185 23.763 1   69.763  ? 31  A 1 .
ATOM 525  C C    . HIS Axp A    31  ? 21.949 77.875 24.429 1   62.569  ? 31  A 1 .
ATOM 526  O O    . HIS Axp A    31  ? 22.85  77.152 24.813 1   64.3    ? 31  A 1 .
ATOM 527  C CB   . HIS Axp A    31  ? 23.415 78.827 22.766 1   84.303  ? 31  A 1 .
ATOM 528  C CG   . HIS Axp A    31  ? 23.466 79.615 21.505 1   98.118  ? 31  A 1 .
ATOM 529  N ND1  . HIS Axp A    31  ? 24.194 80.773 21.313 1   94.597  ? 31  A 1 .
ATOM 530  C CD2  . HIS Axp A    31  ? 22.893 79.327 20.331 1   104.791 ? 31  A 1 .
ATOM 531  C CE1  . HIS Axp A    31  ? 24.035 81.176 20.059 1   101.198 ? 31  A 1 .
ATOM 532  N NE2  . HIS Axp A    31  ? 23.242 80.318 19.45  1   113.167 ? 31  A 1 .
ATOM 533  H H    . HIS Axp A    31  ? 23.683 79.941 25.087 1   67.962  ? 31  A 1 c
ATOM 534  H HA   . HIS Axp A    31  ? 21.515 79.564 23.315 1   70.051  ? 31  A 1 c
ATOM 535  H HB3  . HIS Axp A    31  ? 23.321 77.879 22.528 1   83.356  ? 31  A 1 c
ATOM 536  H HB2  . HIS Axp A    31  ? 24.281 78.911 23.22  1   83.385  ? 31  A 1 c
ATOM 537  H HD1  . HIS Axp A    31  ? 24.462 81.169 21.913 0   82.51   ? 31  A 1 c
ATOM 538  H HD2  . HIS Axp A    31  ? 22.336 78.597 20.143 1   104.819 ? 31  A 1 c
ATOM 539  H HE1  . HIS Axp A    31  ? 24.411 81.951 19.677 1   102.22  ? 31  A 1 c
ATOM 540  H HE2  . HIS Axp A    31  ? 22.933 80.041 18.612 0   84.14   ? 31  A 1 c
ATOM 541  N N    . LEU Axp A    32  ? 20.662 77.564 24.581 1   62.469  ? 32  A 1 .
ATOM 542  C CA   . LEU Axp A    32  ? 20.296 76.37  25.334 1   71.159  ? 32  A 1 .
ATOM 543  C C    . LEU Axp A    32  ? 19.609 75.358 24.43  1   69.846  ? 32  A 1 .
ATOM 544  O O    . LEU Axp A    32  ? 18.685 75.698 23.699 1   79.439  ? 32  A 1 .
ATOM 545  C CB   . LEU Axp A    32  ? 19.405 76.656 26.541 1   84.061  ? 32  A 1 .
ATOM 546  C CG   . LEU Axp A    32  ? 19.996 77.529 27.654 1   85.773  ? 32  A 1 .
ATOM 547  C CD1  . LEU Axp A    32  ? 20.228 78.931 27.159 1   80.494  ? 32  A 1 .
ATOM 548  C CD2  . LEU Axp A    32  ? 19.092 77.538 28.877 1   80.904  ? 32  A 1 .
ATOM 549  H H    . LEU Axp A    32  ? 20.008 78.09  24.22  1   64.418  ? 32  A 1 c
ATOM 550  H HA   . LEU Axp A    32  ? 21.131 75.956 25.662 1   71.062  ? 32  A 1 c
ATOM 551  H HB3  . LEU Axp A    32  ? 19.142 75.794 26.935 1   81.138  ? 32  A 1 c
ATOM 552  H HB2  . LEU Axp A    32  ? 18.58  77.086 26.216 1   81.259  ? 32  A 1 c
ATOM 553  H HG   . LEU Axp A    32  ? 20.872 77.145 27.918 1   83.53   ? 32  A 1 c
ATOM 554  H HD11 . LEU Axp A    32  ? 21.163 79.035 26.92  1   81.695  ? 32  A 1 c
ATOM 555  H HD12 . LEU Axp A    32  ? 19.997 79.562 27.86  1   81.823  ? 32  A 1 c
ATOM 556  H HD13 . LEU Axp A    32  ? 19.673 79.101 26.379 1   81.814  ? 32  A 1 c
ATOM 557  H HD21 . LEU Axp A    32  ? 18.94  76.626 29.175 1   82.122  ? 32  A 1 c
ATOM 558  H HD22 . LEU Axp A    32  ? 18.241 77.949 28.649 1   82.265  ? 32  A 1 c
ATOM 559  H HD23 . LEU Axp A    32  ? 19.515 78.045 29.591 1   82.263  ? 32  A 1 c
ATOM 560  N N    . TYR Axp A    33  ? 20.018 74.097 24.572 1   67.976  ? 33  A 1 .
ATOM 561  C CA   . TYR Axp A    33  ? 19.486 73.018 23.756 1   77.898  ? 33  A 1 .
ATOM 562  C C    . TYR Axp A    33  ? 18.508 72.202 24.601 1   83.902  ? 33  A 1 .
ATOM 563  O O    . TYR Axp A    33  ? 18.809 71.912 25.752 1   85.053  ? 33  A 1 .
ATOM 564  C CB   . TYR Axp A    33  ? 20.687 72.229 23.214 1   75.639  ? 33  A 1 .
ATOM 565  C CG   . TYR Axp A    33  ? 21.68  73.064 22.412 1   71.111  ? 33  A 1 .
ATOM 566  C CD1  . TYR Axp A    33  ? 22.433 74.029 23.057 1   74.871  ? 33  A 1 .
ATOM 567  C CD2  . TYR Axp A    33  ? 21.872 72.91  21.034 1   70.84   ? 33  A 1 .
ATOM 568  C CE1  . TYR Axp A    33  ? 23.343 74.815 22.376 1   79.139  ? 33  A 1 .
ATOM 569  C CE2  . TYR Axp A    33  ? 22.779 73.692 20.335 1   69.661  ? 33  A 1 .
ATOM 570  C CZ   . TYR Axp A    33  ? 23.506 74.66  21.014 1   76.075  ? 33  A 1 .
ATOM 571  O OH   . TYR Axp A    33  ? 24.436 75.475 20.442 1   78.675  ? 33  A 1 .
ATOM 572  H H    . TYR Axp A    33  ? 20.629 73.894 25.221 1   70.627  ? 33  A 1 c
ATOM 573  H HA   . TYR Axp A    33  ? 18.995 73.411 22.988 1   76.546  ? 33  A 1 c
ATOM 574  H HB3  . TYR Axp A    33  ? 20.352 71.499 22.647 1   75.067  ? 33  A 1 c
ATOM 575  H HB2  . TYR Axp A    33  ? 21.16  71.83  23.973 1   74.998  ? 33  A 1 c
ATOM 576  H HD1  . TYR Axp A    33  ? 22.329 74.152 23.985 1   74.694  ? 33  A 1 c
ATOM 577  H HD2  . TYR Axp A    33  ? 21.367 72.263 20.568 1   70.764  ? 33  A 1 c
ATOM 578  H HE1  . TYR Axp A    33  ? 23.843 75.466 22.838 1   77.287  ? 33  A 1 c
ATOM 579  H HE2  . TYR Axp A    33  ? 22.89  73.579 19.407 1   71.691  ? 33  A 1 c
ATOM 580  H HH   . TYR Axp A    33  ? 24.892 75.739 20.954 0   63.06   ? 33  A 1 c
ATOM 581  N N    . GLU Axp A    34  ? 17.363 71.804 24.021 1   94.335  ? 34  A 1 .
ATOM 582  C CA   . GLU Axp A    34  ? 16.321 71.072 24.742 1   97.803  ? 34  A 1 .
ATOM 583  C C    . GLU Axp A    34  ? 16.658 69.578 24.776 1   105.436 ? 34  A 1 .
ATOM 584  O O    . GLU Axp A    34  ? 17.739 69.174 24.361 1   121.567 ? 34  A 1 .
ATOM 585  C CB   . GLU Axp A    34  ? 14.93  71.304 24.144 1   95.288  ? 34  A 1 .
ATOM 586  C CG   . GLU Axp A    34  ? 14.609 72.769 23.852 1   98.274  ? 34  A 1 .
ATOM 587  C CD   . GLU Axp A    34  ? 14.602 73.73  25.035 1   94.952  ? 34  A 1 .
ATOM 588  O OE1  . GLU Axp A    34  ? 13.801 73.514 25.968 1   85.839  ? 34  A 1 .
ATOM 589  O OE2  . GLU Axp A    34  ? 15.377 74.718 25.024 1   92.342  ? 34  A 1 .
ATOM 590  H H    . GLU Axp A    34  ? 17.233 71.992 23.137 1   92.021  ? 34  A 1 c
ATOM 591  H HA   . GLU Axp A    34  ? 16.304 71.405 25.676 1   97.836  ? 34  A 1 c
ATOM 592  H HB3  . GLU Axp A    34  ? 14.259 70.977 24.778 1   96.592  ? 34  A 1 c
ATOM 593  H HB2  . GLU Axp A    34  ? 14.842 70.776 23.325 1   96.377  ? 34  A 1 c
ATOM 594  H HG3  . GLU Axp A    34  ? 13.727 72.813 23.424 1   96.752  ? 34  A 1 c
ATOM 595  H HG2  . GLU Axp A    34  ? 15.253 73.105 23.202 1   96.477  ? 34  A 1 c
ATOM 596  N N    . ARG Axp A    35  ? 15.739 68.75  25.293 1   102.786 ? 35  A 1 .
ATOM 597  C CA   . ARG Axp A    35  ? 15.947 67.308 25.385 1   108.68  ? 35  A 1 .
ATOM 598  C C    . ARG Axp A    35  ? 15.906 66.663 23.994 1   116.584 ? 35  A 1 .
ATOM 599  O O    . ARG Axp A    35  ? 16.424 65.559 23.804 1   113.892 ? 35  A 1 .
ATOM 600  C CB   . ARG Axp A    35  ? 14.865 66.714 26.301 1   104.285 ? 35  A 1 .
ATOM 601  C CG   . ARG Axp A    35  ? 14.914 65.239 26.69  1   95.062  ? 35  A 1 .
ATOM 602  C CD   . ARG Axp A    35  ? 13.574 64.9   27.333 1   89.695  ? 35  A 1 .
ATOM 603  N NE   . ARG Axp A    35  ? 13.524 63.688 28.158 1   92.649  ? 35  A 1 .
ATOM 604  C CZ   . ARG Axp A    35  ? 12.491 63.391 28.969 1   100.92  ? 35  A 1 .
ATOM 605  N NH1  . ARG Axp A    35  ? 11.495 64.245 29.131 1   105.174 ? 35  A 1 .
ATOM 606  N NH2  . ARG Axp A    35  ? 12.448 62.254 29.642 1   98.04   ? 35  A 1 .
ATOM 607  H H    . ARG Axp A    35  ? 14.957 69.098 25.613 1   104.532 ? 35  A 1 c
ATOM 608  H HA   . ARG Axp A    35  ? 16.837 67.143 25.788 1   108.13  ? 35  A 1 c
ATOM 609  H HB3  . ARG Axp A    35  ? 13.999 66.879 25.869 1   102.96  ? 35  A 1 c
ATOM 610  H HB2  . ARG Axp A    35  ? 14.87  67.239 27.13  1   102.964 ? 35  A 1 c
ATOM 611  H HG3  . ARG Axp A    35  ? 15.64  65.083 27.332 1   95.655  ? 35  A 1 c
ATOM 612  H HG2  . ARG Axp A    35  ? 15.05  64.682 25.893 1   95.934  ? 35  A 1 c
ATOM 613  H HD3  . ARG Axp A    35  ? 12.913 64.818 26.616 1   91.636  ? 35  A 1 c
ATOM 614  H HD2  . ARG Axp A    35  ? 13.306 65.664 27.884 1   91.841  ? 35  A 1 c
ATOM 615  H HE   . ARG Axp A    35  ? 14.194 63.132 28.123 1   93.877  ? 35  A 1 c
ATOM 616  H HH11 . ARG Axp A    35  ? 10.94  64.405 28.462 1   103.846 ? 35  A 1 c
ATOM 617  H HH12 . ARG Axp A    35  ? 11.388 64.653 29.909 1   103.846 ? 35  A 1 c
ATOM 618  H HH21 . ARG Axp A    35  ? 12.708 61.504 29.253 1   98.928  ? 35  A 1 c
ATOM 619  H HH22 . ARG Axp A    35  ? 12.16  62.249 30.478 1   98.962  ? 35  A 1 c
ATOM 620  N N    . ASP Axp A    36  ? 15.257 67.351 23.042 1   114.683 ? 36  A 1 .
ATOM 621  C CA   . ASP Axp A    36  ? 15.01  66.823 21.71  1   106.942 ? 36  A 1 .
ATOM 622  C C    . ASP Axp A    36  ? 15.99  67.416 20.698 1   111.251 ? 36  A 1 .
ATOM 623  O O    . ASP Axp A    36  ? 16.263 66.78  19.677 1   104.855 ? 36  A 1 .
ATOM 624  C CB   . ASP Axp A    36  ? 13.566 67.066 21.29  1   101.678 ? 36  A 1 .
ATOM 625  C CG   . ASP Axp A    36  ? 13.048 68.497 21.406 1   96.332  ? 36  A 1 .
ATOM 626  O OD1  . ASP Axp A    36  ? 13.817 69.436 21.165 1   102.655 ? 36  A 1 .
ATOM 627  O OD2  . ASP Axp A    36  ? 11.862 68.675 21.712 1   88.82   ? 36  A 1 .
ATOM 628  H H    . ASP Axp A    36  ? 14.935 68.182 23.243 1   112.979 ? 36  A 1 c
ATOM 629  H HA   . ASP Axp A    36  ? 15.143 65.849 21.734 1   108.243 ? 36  A 1 c
ATOM 630  H HB3  . ASP Axp A    36  ? 12.988 66.493 21.836 1   101.52  ? 36  A 1 c
ATOM 631  H HB2  . ASP Axp A    36  ? 13.465 66.785 20.357 1   101.626 ? 36  A 1 c
ATOM 632  N N    . GLU Axp A    37  ? 16.518 68.619 20.996 1   108.976 ? 37  A 1 .
ATOM 633  C CA   . GLU Axp A    37  ? 17.342 69.381 20.065 1   97.728  ? 37  A 1 .
ATOM 634  C C    . GLU Axp A    37  ? 18.761 68.811 20.035 1   102.912 ? 37  A 1 .
ATOM 635  O O    . GLU Axp A    37  ? 19.685 69.483 19.583 1   90.542  ? 37  A 1 .
ATOM 636  C CB   . GLU Axp A    37  ? 17.402 70.864 20.438 1   82.107  ? 37  A 1 .
ATOM 637  C CG   . GLU Axp A    37  ? 16.05  71.445 20.838 1   81.816  ? 37  A 1 .
ATOM 638  C CD   . GLU Axp A    37  ? 15.977 72.96  20.894 1   81.616  ? 37  A 1 .
ATOM 639  O OE1  . GLU Axp A    37  ? 16.846 73.61  21.509 1   74.466  ? 37  A 1 .
ATOM 640  O OE2  . GLU Axp A    37  ? 14.99  73.493 20.362 1   85.644  ? 37  A 1 .
ATOM 641  H H    . GLU Axp A    37  ? 16.371 68.969 21.826 1   106.373 ? 37  A 1 c
ATOM 642  H HA   . GLU Axp A    37  ? 16.948 69.296 19.159 1   97.717  ? 37  A 1 c
ATOM 643  H HB3  . GLU Axp A    37  ? 17.746 71.368 19.672 1   85.589  ? 37  A 1 c
ATOM 644  H HB2  . GLU Axp A    37  ? 18.032 70.979 21.18  1   85.529  ? 37  A 1 c
ATOM 645  H HG3  . GLU Axp A    37  ? 15.805 71.094 21.713 1   82.492  ? 37  A 1 c
ATOM 646  H HG2  . GLU Axp A    37  ? 15.375 71.131 20.2   1   82.09   ? 37  A 1 c
ATOM 647  N N    . GLY Axp A    38  ? 18.917 67.549 20.463 1   104.037 ? 38  A 1 .
ATOM 648  C CA   . GLY Axp A    38  ? 20.218 66.905 20.535 1   104.568 ? 38  A 1 .
ATOM 649  C C    . GLY Axp A    38  ? 20.928 66.808 19.185 1   101.118 ? 38  A 1 .
ATOM 650  O O    . GLY Axp A    38  ? 22.035 66.295 19.121 1   109.313 ? 38  A 1 .
ATOM 651  H H    . GLY Axp A    38  ? 18.185 67.066 20.715 1   103.949 ? 38  A 1 c
ATOM 652  H HA3  . GLY Axp A    38  ? 20.104 65.999 20.907 1   103.576 ? 38  A 1 c
ATOM 653  H HA2  . GLY Axp A    38  ? 20.783 67.413 21.157 1   103.21  ? 38  A 1 c
ATOM 654  N N    . ASP Axp A    39  ? 20.278 67.264 18.115 1   101.35  ? 39  A 1 .
ATOM 655  C CA   . ASP Axp A    39  ? 20.858 67.252 16.784 1   105.444 ? 39  A 1 .
ATOM 656  C C    . ASP Axp A    39  ? 21.026 68.686 16.308 1   94.731  ? 39  A 1 .
ATOM 657  O O    . ASP Axp A    39  ? 21.919 68.982 15.529 1   97.101  ? 39  A 1 .
ATOM 658  C CB   . ASP Axp A    39  ? 20.013 66.433 15.821 1   112.602 ? 39  A 1 .
ATOM 659  C CG   . ASP Axp A    39  ? 18.529 66.433 16.147 1   120.026 ? 39  A 1 .
ATOM 660  O OD1  . ASP Axp A    39  ? 17.981 67.534 16.375 1   131.092 ? 39  A 1 .
ATOM 661  O OD2  . ASP Axp A    39  ? 17.95  65.335 16.233 1   127.284 ? 39  A 1 .
ATOM 662  H H    . ASP Axp A    39  ? 19.421 67.563 18.212 1   102.228 ? 39  A 1 c
ATOM 663  H HA   . ASP Axp A    39  ? 21.745 66.843 16.835 1   104.088 ? 39  A 1 c
ATOM 664  H HB3  . ASP Axp A    39  ? 20.33  65.505 15.831 1   112.715 ? 39  A 1 c
ATOM 665  H HB2  . ASP Axp A    39  ? 20.129 66.781 14.912 1   112.493 ? 39  A 1 c
ATOM 666  N N    . LYS Axp A    40  ? 20.141 69.57  16.756 1   93.811  ? 40  A 1 .
ATOM 667  C CA   . LYS Axp A    40  ? 20.312 70.984 16.487 1   100.667 ? 40  A 1 .
ATOM 668  C C    . LYS Axp A    40  ? 21.745 71.343 16.851 1   104.66  ? 40  A 1 .
ATOM 669  O O    . LYS Axp A    40  ? 22.348 72.222 16.24  1   103.877 ? 40  A 1 .
ATOM 670  C CB   . LYS Axp A    40  ? 19.304 71.789 17.314 1   103.58  ? 40  A 1 .
ATOM 671  C CG   . LYS Axp A    40  ? 19.231 73.273 17.019 1   101.686 ? 40  A 1 .
ATOM 672  C CD   . LYS Axp A    40  ? 18.198 73.957 17.902 1   107.41  ? 40  A 1 .
ATOM 673  C CE   . LYS Axp A    40  ? 18.182 75.433 17.697 1   111.267 ? 40  A 1 .
ATOM 674  N NZ   . LYS Axp A    40  ? 17.306 76.068 18.683 1   111.972 ? 40  A 1 .
ATOM 675  H H    . LYS Axp A    40  ? 19.403 69.293 17.217 1   95.847  ? 40  A 1 c
ATOM 676  H HA   . LYS Axp A    40  ? 20.167 71.146 15.52  1   100.507 ? 40  A 1 c
ATOM 677  H HB3  . LYS Axp A    40  ? 19.527 71.679 18.262 1   102.267 ? 40  A 1 c
ATOM 678  H HB2  . LYS Axp A    40  ? 18.412 71.406 17.175 1   102.391 ? 40  A 1 c
ATOM 679  H HG3  . LYS Axp A    40  ? 18.992 73.401 16.076 1   103.393 ? 40  A 1 c
ATOM 680  H HG2  . LYS Axp A    40  ? 20.113 73.676 17.176 1   103.397 ? 40  A 1 c
ATOM 681  H HD3  . LYS Axp A    40  ? 18.4   73.764 18.844 1   106.991 ? 40  A 1 c
ATOM 682  H HD2  . LYS Axp A    40  ? 17.309 73.594 17.699 1   106.967 ? 40  A 1 c
ATOM 683  H HE3  . LYS Axp A    40  ? 17.86  75.64  16.801 1   110.537 ? 40  A 1 c
ATOM 684  H HE2  . LYS Axp A    40  ? 19.084 75.79  17.792 1   110.537 ? 40  A 1 c
ATOM 685  H HZ1  . LYS Axp A    40  ? 17.617 75.907 19.519 1   111.691 ? 40  A 1 c
ATOM 686  H HZ2  . LYS Axp A    40  ? 16.467 75.735 18.608 1   111.716 ? 40  A 1 c
ATOM 687  H HZ3  . LYS Axp A    40  ? 17.285 76.963 18.542 1   111.735 ? 40  A 1 c
ATOM 688  N N    . TRP Axp A    41  ? 22.253 70.633 17.868 1   108.991 ? 41  A 1 .
ATOM 689  C CA   . TRP Axp A    41  ? 23.622 70.748 18.332 1   104.124 ? 41  A 1 .
ATOM 690  C C    . TRP Axp A    41  ? 24.568 70.124 17.309 1   98.261  ? 41  A 1 .
ATOM 691  O O    . TRP Axp A    41  ? 25.351 70.829 16.672 1   85.971  ? 41  A 1 .
ATOM 692  C CB   . TRP Axp A    41  ? 23.756 70.067 19.704 1   101.277 ? 41  A 1 .
ATOM 693  C CG   . TRP Axp A    41  ? 25.176 69.749 20.092 1   96.22   ? 41  A 1 .
ATOM 694  C CD1  . TRP Axp A    41  ? 25.702 68.528 20.405 1   90.438  ? 41  A 1 .
ATOM 695  C CD2  . TRP Axp A    41  ? 26.253 70.699 20.215 1   87.979  ? 41  A 1 .
ATOM 696  N NE1  . TRP Axp A    41  ? 27.031 68.646 20.701 1   76.431  ? 41  A 1 .
ATOM 697  C CE2  . TRP Axp A    41  ? 27.393 69.959 20.589 1   78.99   ? 41  A 1 .
ATOM 698  C CE3  . TRP Axp A    41  ? 26.352 72.09  20.046 1   94.918  ? 41  A 1 .
ATOM 699  C CZ2  . TRP Axp A    41  ? 28.618 70.573 20.795 1   89.269  ? 41  A 1 .
ATOM 700  C CZ3  . TRP Axp A    41  ? 27.568 72.699 20.261 1   90.472  ? 41  A 1 .
ATOM 701  C CH2  . TRP Axp A    41  ? 28.683 71.942 20.631 1   96.346  ? 41  A 1 .
ATOM 702  H H    . TRP Axp A    41  ? 21.696 70.068 18.323 1   106.494 ? 41  A 1 c
ATOM 703  H HA   . TRP Axp A    41  ? 23.845 71.712 18.431 1   103.105 ? 41  A 1 c
ATOM 704  H HB3  . TRP Axp A    41  ? 23.237 69.235 19.693 1   100.666 ? 41  A 1 c
ATOM 705  H HB2  . TRP Axp A    41  ? 23.366 70.656 20.384 1   100.538 ? 41  A 1 c
ATOM 706  H HD1  . TRP Axp A    41  ? 25.228 67.713 20.402 1   88.219  ? 41  A 1 c
ATOM 707  H HE1  . TRP Axp A    41  ? 27.561 67.988 20.92  1   80.408  ? 41  A 1 c
ATOM 708  H HE3  . TRP Axp A    41  ? 25.599 72.596 19.796 1   92.253  ? 41  A 1 c
ATOM 709  H HZ2  . TRP Axp A    41  ? 29.375 70.075 21.054 1   88.357  ? 41  A 1 c
ATOM 710  H HZ3  . TRP Axp A    41  ? 27.654 73.629 20.141 1   92.206  ? 41  A 1 c
ATOM 711  H HH2  . TRP Axp A    41  ? 29.507 72.377 20.763 1   93.112  ? 41  A 1 c
ATOM 712  N N    . ARG Axp A    42  ? 24.45  68.798 17.161 1   90.852  ? 42  A 1 .
ATOM 713  C CA   . ARG Axp A    42  ? 25.285 67.998 16.283 1   90.464  ? 42  A 1 .
ATOM 714  C C    . ARG Axp A    42  ? 25.627 68.747 14.994 1   92.136  ? 42  A 1 .
ATOM 715  O O    . ARG Axp A    42  ? 26.644 68.459 14.372 1   106.09  ? 42  A 1 .
ATOM 716  C CB   . ARG Axp A    42  ? 24.583 66.676 15.957 1   94.808  ? 42  A 1 .
ATOM 717  C CG   . ARG Axp A    42  ? 24.339 65.779 17.163 1   106.998 ? 42  A 1 .
ATOM 718  C CD   . ARG Axp A    42  ? 23.32  64.674 16.876 1   126.989 ? 42  A 1 .
ATOM 719  N NE   . ARG Axp A    42  ? 22.943 63.916 18.077 1   142.125 ? 42  A 1 .
ATOM 720  C CZ   . ARG Axp A    42  ? 21.999 62.979 18.137 1   153.495 ? 42  A 1 .
ATOM 721  N NH1  . ARG Axp A    42  ? 21.279 62.691 17.069 1   161.696 ? 42  A 1 .
ATOM 722  N NH2  . ARG Axp A    42  ? 21.771 62.333 19.269 1   157.891 ? 42  A 1 .
ATOM 723  H H    . ARG Axp A    42  ? 23.791 68.373 17.63  1   92.974  ? 42  A 1 c
ATOM 724  H HA   . ARG Axp A    42  ? 26.129 67.795 16.76  1   91.624  ? 42  A 1 c
ATOM 725  H HB3  . ARG Axp A    42  ? 25.127 66.185 15.305 1   96.456  ? 42  A 1 c
ATOM 726  H HB2  . ARG Axp A    42  ? 23.721 66.876 15.534 1   96.646  ? 42  A 1 c
ATOM 727  H HG3  . ARG Axp A    42  ? 24.023 66.32  17.914 1   107.995 ? 42  A 1 c
ATOM 728  H HG2  . ARG Axp A    42  ? 25.189 65.365 17.431 1   108.177 ? 42  A 1 c
ATOM 729  H HD3  . ARG Axp A    42  ? 23.707 64.058 16.221 1   125.391 ? 42  A 1 c
ATOM 730  H HD2  . ARG Axp A    42  ? 22.519 65.062 16.477 1   125.054 ? 42  A 1 c
ATOM 731  H HE   . ARG Axp A    42  ? 23.371 64.093 18.815 1   140.876 ? 42  A 1 c
ATOM 732  H HH11 . ARG Axp A    42  ? 21.67  62.348 16.354 1   158.931 ? 42  A 1 c
ATOM 733  H HH12 . ARG Axp A    42  ? 20.408 62.842 17.073 1   159.081 ? 42  A 1 c
ATOM 734  H HH21 . ARG Axp A    42  ? 22.45  62.098 19.785 1   156.525 ? 42  A 1 c
ATOM 735  H HH22 . ARG Axp A    42  ? 20.941 62.14  19.505 1   156.525 ? 42  A 1 c
ATOM 736  N N    . ASN Axp A    43  ? 24.786 69.703 14.587 1   87.813  ? 43  A 1 .
ATOM 737  C CA   . ASN Axp A    43  ? 25.041 70.476 13.384 1   90.629  ? 43  A 1 .
ATOM 738  C C    . ASN Axp A    43  ? 26.12  71.529 13.635 1   94.806  ? 43  A 1 .
ATOM 739  O O    . ASN Axp A    43  ? 27.173 71.469 13.006 1   112.074 ? 43  A 1 .
ATOM 740  C CB   . ASN Axp A    43  ? 23.763 71.09  12.827 1   97.392  ? 43  A 1 .
ATOM 741  C CG   . ASN Axp A    43  ? 24.017 71.878 11.559 1   107.198 ? 43  A 1 .
ATOM 742  O OD1  . ASN Axp A    43  ? 24.71  72.901 11.577 1   99.202  ? 43  A 1 .
ATOM 743  N ND2  . ASN Axp A    43  ? 23.465 71.431 10.441 1   122.96  ? 43  A 1 .
ATOM 744  H H    . ASN Axp A    43  ? 24.012 69.855 15.047 1   89.591  ? 43  A 1 c
ATOM 745  H HA   . ASN Axp A    43  ? 25.382 69.857 12.698 1   92.234  ? 43  A 1 c
ATOM 746  H HB3  . ASN Axp A    43  ? 23.37  71.681 13.499 1   97.951  ? 43  A 1 c
ATOM 747  H HB2  . ASN Axp A    43  ? 23.12  70.377 12.638 1   98.076  ? 43  A 1 c
ATOM 748  H HD21 . ASN Axp A    43  ? 23.067 71.998 9.887  1   117.874 ? 43  A 1 c
ATOM 749  H HD22 . ASN Axp A    43  ? 23.495 70.566 10.248 1   117.874 ? 43  A 1 c
ATOM 750  N N    . LYS Axp A    44  ? 25.838 72.509 14.507 1   95.613  ? 44  A 1 .
ATOM 751  C CA   . LYS Axp A    44  ? 26.752 73.613 14.748 1   93.97   ? 44  A 1 .
ATOM 752  C C    . LYS Axp A    44  ? 27.999 73.131 15.475 1   100.09  ? 44  A 1 .
ATOM 753  O O    . LYS Axp A    44  ? 28.958 73.887 15.597 1   109.319 ? 44  A 1 .
ATOM 754  C CB   . LYS Axp A    44  ? 26.089 74.732 15.553 1   94.011  ? 44  A 1 .
ATOM 755  C CG   . LYS Axp A    44  ? 25.221 75.613 14.696 1   97.633  ? 44  A 1 .
ATOM 756  C CD   . LYS Axp A    44  ? 24.543 76.737 15.461 1   98.968  ? 44  A 1 .
ATOM 757  C CE   . LYS Axp A    44  ? 23.625 77.487 14.56  1   111.437 ? 44  A 1 .
ATOM 758  N NZ   . LYS Axp A    44  ? 22.624 78.213 15.34  1   119.937 ? 44  A 1 .
ATOM 759  H H    . LYS Axp A    44  ? 25.048 72.483 14.968 1   95.044  ? 44  A 1 c
ATOM 760  H HA   . LYS Axp A    44  ? 27.025 73.979 13.875 1   95.517  ? 44  A 1 c
ATOM 761  H HB3  . LYS Axp A    44  ? 26.78  75.285 15.974 1   94.931  ? 44  A 1 c
ATOM 762  H HB2  . LYS Axp A    44  ? 25.539 74.339 16.264 1   94.849  ? 44  A 1 c
ATOM 763  H HG3  . LYS Axp A    44  ? 24.533 75.054 14.272 1   97.166  ? 44  A 1 c
ATOM 764  H HG2  . LYS Axp A    44  ? 25.775 76     13.983 1   97.089  ? 44  A 1 c
ATOM 765  H HD3  . LYS Axp A    44  ? 25.223 77.35  15.817 1   101.463 ? 44  A 1 c
ATOM 766  H HD2  . LYS Axp A    44  ? 24.031 76.363 16.211 1   101.622 ? 44  A 1 c
ATOM 767  H HE3  . LYS Axp A    44  ? 23.171 76.871 13.957 1   110.184 ? 44  A 1 c
ATOM 768  H HE2  . LYS Axp A    44  ? 24.135 78.121 14.025 1   110.313 ? 44  A 1 c
ATOM 769  H HZ1  . LYS Axp A    44  ? 23.034 78.746 15.947 1   117.111 ? 44  A 1 c
ATOM 770  H HZ2  . LYS Axp A    44  ? 22.087 77.626 15.774 1   117.112 ? 44  A 1 c
ATOM 771  H HZ3  . LYS Axp A    44  ? 22.119 78.724 14.789 1   117.2   ? 44  A 1 c
ATOM 772  N N    . LYS Axp A    45  ? 27.987 71.87  15.927 1   97.544  ? 45  A 1 .
ATOM 773  C CA   . LYS Axp A    45  ? 29.102 71.302 16.666 1   90.508  ? 45  A 1 .
ATOM 774  C C    . LYS Axp A    45  ? 30.444 71.638 16.015 1   97.28   ? 45  A 1 .
ATOM 775  O O    . LYS Axp A    45  ? 31.465 71.665 16.695 1   109.163 ? 45  A 1 .
ATOM 776  C CB   . LYS Axp A    45  ? 28.956 69.789 16.811 1   79.039  ? 45  A 1 .
ATOM 777  C CG   . LYS Axp A    45  ? 29.936 69.219 17.793 1   81.668  ? 45  A 1 .
ATOM 778  C CD   . LYS Axp A    45  ? 29.934 67.71  17.926 1   89.493  ? 45  A 1 .
ATOM 779  C CE   . LYS Axp A    45  ? 31.054 67.325 18.832 1   100.389 ? 45  A 1 .
ATOM 780  N NZ   . LYS Axp A    45  ? 31.324 65.888 18.89  1   112.135 ? 45  A 1 .
ATOM 781  H H    . LYS Axp A    45  ? 27.249 71.35  15.79  1   96.212  ? 45  A 1 c
ATOM 782  H HA   . LYS Axp A    45  ? 29.095 71.696 17.575 1   90.768  ? 45  A 1 c
ATOM 783  H HB3  . LYS Axp A    45  ? 29.091 69.361 15.94  1   82.185  ? 45  A 1 c
ATOM 784  H HB2  . LYS Axp A    45  ? 28.047 69.579 17.114 1   82.21   ? 45  A 1 c
ATOM 785  H HG3  . LYS Axp A    45  ? 29.753 69.612 18.672 1   82.875  ? 45  A 1 c
ATOM 786  H HG2  . LYS Axp A    45  ? 30.837 69.504 17.529 1   83.188  ? 45  A 1 c
ATOM 787  H HD3  . LYS Axp A    45  ? 30.06  67.291 17.049 1   89.97   ? 45  A 1 c
ATOM 788  H HD2  . LYS Axp A    45  ? 29.082 67.408 18.31  1   90.018  ? 45  A 1 c
ATOM 789  H HE3  . LYS Axp A    45  ? 30.849 67.637 19.732 1   100.311 ? 45  A 1 c
ATOM 790  H HE2  . LYS Axp A    45  ? 31.867 67.776 18.543 1   100.116 ? 45  A 1 c
ATOM 791  H HZ1  . LYS Axp A    45  ? 31.481 65.572 18.056 1   108.38  ? 45  A 1 c
ATOM 792  H HZ2  . LYS Axp A    45  ? 30.61  65.456 19.243 1   108.38  ? 45  A 1 c
ATOM 793  H HZ3  . LYS Axp A    45  ? 32.051 65.734 19.408 1   108.38  ? 45  A 1 c
ATOM 794  N N    . PHE Axp A    46  ? 30.452 71.875 14.7   1   100.816 ? 46  A 1 .
ATOM 795  C CA   . PHE Axp A    46  ? 31.672 72.234 13.992 1   97.647  ? 46  A 1 .
ATOM 796  C C    . PHE Axp A    46  ? 31.609 73.676 13.497 1   102.591 ? 46  A 1 .
ATOM 797  O O    . PHE Axp A    46  ? 32.575 74.424 13.651 1   107.594 ? 46  A 1 .
ATOM 798  C CB   . PHE Axp A    46  ? 31.833 71.171 12.903 1   86.322  ? 46  A 1 .
ATOM 799  C CG   . PHE Axp A    46  ? 32.259 69.818 13.461 1   84.192  ? 46  A 1 .
ATOM 800  C CD1  . PHE Axp A    46  ? 31.383 69.048 14.227 1   80.083  ? 46  A 1 .
ATOM 801  C CD2  . PHE Axp A    46  ? 33.538 69.317 13.221 1   88.828  ? 46  A 1 .
ATOM 802  C CE1  . PHE Axp A    46  ? 31.781 67.824 14.75  1   81.337  ? 46  A 1 .
ATOM 803  C CE2  . PHE Axp A    46  ? 33.93  68.089 13.735 1   91.262  ? 46  A 1 .
ATOM 804  C CZ   . PHE Axp A    46  ? 33.052 67.347 14.499 1   88.148  ? 46  A 1 .
ATOM 805  H H    . PHE Axp A    46  ? 29.683 71.767 14.22  1   99.01   ? 46  A 1 c
ATOM 806  H HA   . PHE Axp A    46  ? 32.438 72.153 14.62  1   96.941  ? 46  A 1 c
ATOM 807  H HB3  . PHE Axp A    46  ? 32.508 71.48  12.258 1   88.303  ? 46  A 1 c
ATOM 808  H HB2  . PHE Axp A    46  ? 30.978 71.07  12.429 1   88.413  ? 46  A 1 c
ATOM 809  H HD1  . PHE Axp A    46  ? 30.514 69.368 14.4   1   81.678  ? 46  A 1 c
ATOM 810  H HD2  . PHE Axp A    46  ? 34.146 69.824 12.706 1   88.198  ? 46  A 1 c
ATOM 811  H HE1  . PHE Axp A    46  ? 31.177 67.311 15.26  1   82.766  ? 46  A 1 c
ATOM 812  H HE2  . PHE Axp A    46  ? 34.801 67.765 13.568 1   89.792  ? 46  A 1 c
ATOM 813  H HZ   . PHE Axp A    46  ? 33.318 66.51  14.844 1   87.155  ? 46  A 1 c
ATOM 814  N N    . GLU Axp A    47  ? 30.438 74.05  12.965 1   100.281 ? 47  A 1 .
ATOM 815  C CA   . GLU Axp A    47  ? 30.18  75.346 12.359 1   93.45   ? 47  A 1 .
ATOM 816  C C    . GLU Axp A    47  ? 30.838 76.484 13.135 1   94.849  ? 47  A 1 .
ATOM 817  O O    . GLU Axp A    47  ? 31.173 77.49  12.521 1   98.201  ? 47  A 1 .
ATOM 818  C CB   . GLU Axp A    47  ? 28.683 75.673 12.281 1   91.262  ? 47  A 1 .
ATOM 819  C CG   . GLU Axp A    47  ? 27.83  74.69  11.478 1   99.902  ? 47  A 1 .
ATOM 820  C CD   . GLU Axp A    47  ? 27.79  74.851 9.961  1   110.643 ? 47  A 1 .
ATOM 821  O OE1  . GLU Axp A    47  ? 28.261 75.886 9.429  1   113.004 ? 47  A 1 .
ATOM 822  O OE2  . GLU Axp A    47  ? 27.298 73.905 9.301  1   107.136 ? 47  A 1 .
ATOM 823  H H    . GLU Axp A    47  ? 29.753 73.446 12.978 1   99.177  ? 47  A 1 c
ATOM 824  H HA   . GLU Axp A    47  ? 30.551 75.337 11.44  1   94.599  ? 47  A 1 c
ATOM 825  H HB3  . GLU Axp A    47  ? 28.58  76.564 11.885 1   93.78   ? 47  A 1 c
ATOM 826  H HB2  . GLU Axp A    47  ? 28.327 75.714 13.192 1   93.712  ? 47  A 1 c
ATOM 827  H HG3  . GLU Axp A    47  ? 26.908 74.749 11.805 1   100.154 ? 47  A 1 c
ATOM 828  H HG2  . GLU Axp A    47  ? 28.137 73.781 11.674 1   100.18  ? 47  A 1 c
ATOM 829  N N    . LEU Axp A    48  ? 31.035 76.313 14.456 1   97.271  ? 48  A 1 .
ATOM 830  C CA   . LEU Axp A    48  ? 31.295 77.414 15.384 1   96.267  ? 48  A 1 .
ATOM 831  C C    . LEU Axp A    48  ? 32.754 77.891 15.4   1   84.404  ? 48  A 1 .
ATOM 832  O O    . LEU Axp A    48  ? 33.041 79.064 15.698 1   68.791  ? 48  A 1 .
ATOM 833  C CB   . LEU Axp A    48  ? 30.855 76.969 16.78  1   100.688 ? 48  A 1 .
ATOM 834  C CG   . LEU Axp A    48  ? 29.367 77.14  17.1   1   89.222  ? 48  A 1 .
ATOM 835  C CD1  . LEU Axp A    48  ? 28.971 76.394 18.384 1   89.65   ? 48  A 1 .
ATOM 836  C CD2  . LEU Axp A    48  ? 29.057 78.628 17.198 1   80.725  ? 48  A 1 .
ATOM 837  H H    . LEU Axp A    48  ? 30.992 75.468 14.799 1   96.551  ? 48  A 1 c
ATOM 838  H HA   . LEU Axp A    48  ? 30.733 78.18  15.103 1   94.789  ? 48  A 1 c
ATOM 839  H HB3  . LEU Axp A    48  ? 31.376 77.478 17.444 1   96.685  ? 48  A 1 c
ATOM 840  H HB2  . LEU Axp A    48  ? 31.09  76.019 16.891 1   96.91   ? 48  A 1 c
ATOM 841  H HG   . LEU Axp A    48  ? 28.841 76.763 16.348 1   89.632  ? 48  A 1 c
ATOM 842  H HD11 . LEU Axp A    48  ? 29.159 75.446 18.28  1   89.525  ? 48  A 1 c
ATOM 843  H HD12 . LEU Axp A    48  ? 28.022 76.519 18.553 1   89.525  ? 48  A 1 c
ATOM 844  H HD13 . LEU Axp A    48  ? 29.481 76.744 19.134 1   89.525  ? 48  A 1 c
ATOM 845  H HD21 . LEU Axp A    48  ? 28.968 79.002 16.305 1   83.276  ? 48  A 1 c
ATOM 846  H HD22 . LEU Axp A    48  ? 29.778 79.082 17.667 1   83.358  ? 48  A 1 c
ATOM 847  H HD23 . LEU Axp A    48  ? 28.226 78.756 17.685 1   83.243  ? 48  A 1 c
ATOM 848  N N    . GLY Axp A    49  ? 33.685 76.973 15.14  1   74.611  ? 49  A 1 .
ATOM 849  C CA   . GLY Axp A    49  ? 35.088 77.339 15.102 1   69.948  ? 49  A 1 .
ATOM 850  C C    . GLY Axp A    49  ? 35.751 76.99  16.424 1   70.012  ? 49  A 1 .
ATOM 851  O O    . GLY Axp A    49  ? 36.683 77.668 16.858 1   68.619  ? 49  A 1 .
ATOM 852  H H    . GLY Axp A    49  ? 33.444 76.107 14.972 1   75.891  ? 49  A 1 c
ATOM 853  H HA3  . GLY Axp A    49  ? 35.177 78.305 14.927 1   71.1    ? 49  A 1 c
ATOM 854  H HA2  . GLY Axp A    49  ? 35.532 76.851 14.368 1   71.057  ? 49  A 1 c
ATOM 855  N N    . LEU Axp A    50  ? 35.274 75.895 17.024 1   65.762  ? 50  A 1 .
ATOM 856  C CA   . LEU Axp A    50  ? 35.865 75.394 18.247 1   63.345  ? 50  A 1 .
ATOM 857  C C    . LEU Axp A    50  ? 36.956 74.411 17.863 1   58.909  ? 50  A 1 .
ATOM 858  O O    . LEU Axp A    50  ? 36.733 73.544 17.023 1   60.926  ? 50  A 1 .
ATOM 859  C CB   . LEU Axp A    50  ? 34.744 74.734 19.029 1   62.166  ? 50  A 1 .
ATOM 860  C CG   . LEU Axp A    50  ? 33.488 75.593 19.166 1   62.397  ? 50  A 1 .
ATOM 861  C CD1  . LEU Axp A    50  ? 32.339 74.736 19.64  1   65.373  ? 50  A 1 .
ATOM 862  C CD2  . LEU Axp A    50  ? 33.723 76.782 20.089 1   60.248  ? 50  A 1 .
ATOM 863  H H    . LEU Axp A    50  ? 34.587 75.429 16.643 1   66.273  ? 50  A 1 c
ATOM 864  H HA   . LEU Axp A    50  ? 36.246 76.147 18.767 1   62.658  ? 50  A 1 c
ATOM 865  H HB3  . LEU Axp A    50  ? 35.077 74.519 19.93  1   62.494  ? 50  A 1 c
ATOM 866  H HB2  . LEU Axp A    50  ? 34.501 73.896 18.577 1   62.524  ? 50  A 1 c
ATOM 867  H HG   . LEU Axp A    50  ? 33.251 75.946 18.271 1   62.544  ? 50  A 1 c
ATOM 868  H HD11 . LEU Axp A    50  ? 32.142 74.058 18.972 1   64.462  ? 50  A 1 c
ATOM 869  H HD12 . LEU Axp A    50  ? 31.553 75.292 19.776 1   64.472  ? 50  A 1 c
ATOM 870  H HD13 . LEU Axp A    50  ? 32.578 74.305 20.477 1   64.472  ? 50  A 1 c
ATOM 871  H HD21 . LEU Axp A    50  ? 34.36  77.39  19.679 1   60.967  ? 50  A 1 c
ATOM 872  H HD22 . LEU Axp A    50  ? 34.076 76.469 20.939 1   60.896  ? 50  A 1 c
ATOM 873  H HD23 . LEU Axp A    50  ? 32.883 77.248 20.239 1   60.896  ? 50  A 1 c
ATOM 874  N N    . GLU Axp A    51  ? 38.143 74.568 18.441 1   49.412  ? 51  A 1 .
ATOM 875  C CA   . GLU Axp A    51  ? 39.188 73.626 18.116 1   49.348  ? 51  A 1 .
ATOM 876  C C    . GLU Axp A    51  ? 38.914 72.342 18.89  1   50.436  ? 51  A 1 .
ATOM 877  O O    . GLU Axp A    51  ? 39.548 71.313 18.649 1   54.807  ? 51  A 1 .
ATOM 878  C CB   . GLU Axp A    51  ? 40.594 74.125 18.44  1   55.722  ? 51  A 1 .
ATOM 879  C CG   . GLU Axp A    51  ? 40.974 75.483 17.857 1   61.397  ? 51  A 1 .
ATOM 880  C CD   . GLU Axp A    51  ? 42.463 75.746 18.061 1   66.239  ? 51  A 1 .
ATOM 881  O OE1  . GLU Axp A    51  ? 43.23  74.839 17.623 1   60.699  ? 51  A 1 .
ATOM 882  O OE2  . GLU Axp A    51  ? 42.856 76.799 18.654 1   65.655  ? 51  A 1 .
ATOM 883  H H    . GLU Axp A    51  ? 38.303 75.248 19.03  1   51.675  ? 51  A 1 c
ATOM 884  H HA   . GLU Axp A    51  ? 39.144 73.428 17.146 1   50.774  ? 51  A 1 c
ATOM 885  H HB3  . GLU Axp A    51  ? 41.236 73.458 18.121 1   55.488  ? 51  A 1 c
ATOM 886  H HB2  . GLU Axp A    51  ? 40.686 74.18  19.414 1   55.406  ? 51  A 1 c
ATOM 887  H HG3  . GLU Axp A    51  ? 40.458 76.189 18.3   1   61.111  ? 51  A 1 c
ATOM 888  H HG2  . GLU Axp A    51  ? 40.772 75.499 16.897 1   61.111  ? 51  A 1 c
ATOM 889  N N    . PHE Axp A    52  ? 37.983 72.396 19.852 1   50.238  ? 52  A 1 .
ATOM 890  C CA   . PHE Axp A    52  ? 37.718 71.201 20.635 1   52.406  ? 52  A 1 .
ATOM 891  C C    . PHE Axp A    52  ? 36.233 71.108 20.941 1   52.41   ? 52  A 1 .
ATOM 892  O O    . PHE Axp A    52  ? 35.857 70.945 22.094 1   50.318  ? 52  A 1 .
ATOM 893  C CB   . PHE Axp A    52  ? 38.556 71.176 21.915 1   51.279  ? 52  A 1 .
ATOM 894  C CG   . PHE Axp A    52  ? 40.032 70.886 21.688 1   49.703  ? 52  A 1 .
ATOM 895  C CD1  . PHE Axp A    52  ? 40.499 69.587 21.528 1   48.472  ? 52  A 1 .
ATOM 896  C CD2  . PHE Axp A    52  ? 40.96  71.92  21.639 1   49.97   ? 52  A 1 .
ATOM 897  C CE1  . PHE Axp A    52  ? 41.853 69.343 21.325 1   48.853  ? 52  A 1 .
ATOM 898  C CE2  . PHE Axp A    52  ? 42.308 71.671 21.419 1   47.298  ? 52  A 1 .
ATOM 899  C CZ   . PHE Axp A    52  ? 42.755 70.383 21.272 1   47.33   ? 52  A 1 .
ATOM 900  H H    . PHE Axp A    52  ? 37.534 73.169 20.041 1   50.802  ? 52  A 1 c
ATOM 901  H HA   . PHE Axp A    52  ? 37.967 70.409 20.089 1   51.835  ? 52  A 1 c
ATOM 902  H HB3  . PHE Axp A    52  ? 38.19  70.49  22.517 1   51.169  ? 52  A 1 c
ATOM 903  H HB2  . PHE Axp A    52  ? 38.469 72.047 22.362 1   51.172  ? 52  A 1 c
ATOM 904  H HD1  . PHE Axp A    52  ? 39.892 68.865 21.563 1   48.844  ? 52  A 1 c
ATOM 905  H HD2  . PHE Axp A    52  ? 40.663 72.811 21.738 1   49.257  ? 52  A 1 c
ATOM 906  H HE1  . PHE Axp A    52  ? 42.155 68.455 21.217 1   48.415  ? 52  A 1 c
ATOM 907  H HE2  . PHE Axp A    52  ? 42.921 72.389 21.391 1   47.94   ? 52  A 1 c
ATOM 908  H HZ   . PHE Axp A    52  ? 43.673 70.211 21.129 1   47.71   ? 52  A 1 c
ATOM 909  N N    . PRO Axp A    53  ? 35.376 71.14  19.898 1   56.045  ? 53  A 1 .
ATOM 910  C CA   . PRO Axp A    53  ? 33.934 71.169 20.063 1   58.934  ? 53  A 1 .
ATOM 911  C C    . PRO Axp A    53  ? 33.42  70.263 21.166 1   56.466  ? 53  A 1 .
ATOM 912  O O    . PRO Axp A    53  ? 33.812 69.1   21.246 1   58.509  ? 53  A 1 .
ATOM 913  C CB   . PRO Axp A    53  ? 33.429 70.708 18.709 1   62.447  ? 53  A 1 .
ATOM 914  C CG   . PRO Axp A    53  ? 34.444 71.306 17.764 1   65.014  ? 53  A 1 .
ATOM 915  C CD   . PRO Axp A    53  ? 35.754 71.129 18.478 1   64.77   ? 53  A 1 .
ATOM 916  H HA   . PRO Axp A    53  ? 33.644 72.09  20.228 1   58.445  ? 53  A 1 c
ATOM 917  H HB3  . PRO Axp A    53  ? 32.533 71.053 18.536 1   62.469  ? 53  A 1 c
ATOM 918  H HB2  . PRO Axp A    53  ? 33.421 69.733 18.648 1   62.204  ? 53  A 1 c
ATOM 919  H HG3  . PRO Axp A    53  ? 34.26  72.249 17.6   1   64.353  ? 53  A 1 c
ATOM 920  H HG2  . PRO Axp A    53  ? 34.45  70.829 16.91  1   64.367  ? 53  A 1 c
ATOM 921  H HD3  . PRO Axp A    53  ? 36.178 70.285 18.238 1   62.622  ? 53  A 1 c
ATOM 922  H HD2  . PRO Axp A    53  ? 36.358 71.856 18.279 1   62.421  ? 53  A 1 c
ATOM 923  N N    . ASN Axp A    54  ? 32.525 70.828 21.978 1   52.104  ? 54  A 1 .
ATOM 924  C CA   . ASN Axp A    54  ? 31.985 70.124 23.12  1   54.855  ? 54  A 1 .
ATOM 925  C C    . ASN Axp A    54  ? 30.997 71.04  23.836 1   55.701  ? 54  A 1 .
ATOM 926  O O    . ASN Axp A    54  ? 30.765 72.146 23.362 1   52.77   ? 54  A 1 .
ATOM 927  C CB   . ASN Axp A    54  ? 33.096 69.647 24.045 1   56.192  ? 54  A 1 .
ATOM 928  C CG   . ASN Axp A    54  ? 32.654 68.397 24.752 1   61.578  ? 54  A 1 .
ATOM 929  O OD1  . ASN Axp A    54  ? 31.512 68.341 25.203 1   61.073  ? 54  A 1 .
ATOM 930  N ND2  . ASN Axp A    54  ? 33.499 67.381 24.821 1   73.217  ? 54  A 1 .
ATOM 931  H H    . ASN Axp A    54  ? 32.24  71.68  21.811 1   53.823  ? 54  A 1 c
ATOM 932  H HA   . ASN Axp A    54  ? 31.502 69.331 22.793 1   54.773  ? 54  A 1 c
ATOM 933  H HB3  . ASN Axp A    54  ? 33.296 70.342 24.704 1   57.062  ? 54  A 1 c
ATOM 934  H HB2  . ASN Axp A    54  ? 33.907 69.464 23.533 1   57.203  ? 54  A 1 c
ATOM 935  H HD21 . ASN Axp A    54  ? 33.191 66.549 24.81  1   69.39   ? 54  A 1 c
ATOM 936  H HD22 . ASN Axp A    54  ? 34.371 67.533 24.878 1   69.309  ? 54  A 1 c
ATOM 937  N N    . LEU Axp A    55  ? 30.422 70.568 24.956 1   55.718  ? 55  A 1 .
ATOM 938  C CA   . LEU Axp A    55  ? 29.535 71.379 25.78  1   54.019  ? 55  A 1 .
ATOM 939  C C    . LEU Axp A    55  ? 29.992 71.454 27.239 1   53.211  ? 55  A 1 .
ATOM 940  O O    . LEU Axp A    55  ? 30.337 70.469 27.862 1   49.1    ? 55  A 1 .
ATOM 941  C CB   . LEU Axp A    55  ? 28.147 70.771 25.665 1   58.151  ? 55  A 1 .
ATOM 942  C CG   . LEU Axp A    55  ? 27.358 71.219 24.433 1   65.391  ? 55  A 1 .
ATOM 943  C CD1  . LEU Axp A    55  ? 25.957 70.611 24.384 1   70.658  ? 55  A 1 .
ATOM 944  C CD2  . LEU Axp A    55  ? 27.288 72.737 24.417 1   64.891  ? 55  A 1 .
ATOM 945  H H    . LEU Axp A    55  ? 30.576 69.704 25.207 1   55.392  ? 55  A 1 c
ATOM 946  H HA   . LEU Axp A    55  ? 29.523 72.29  25.406 1   55.125  ? 55  A 1 c
ATOM 947  H HB3  . LEU Axp A    55  ? 27.633 71.013 26.47  1   58.568  ? 55  A 1 c
ATOM 948  H HB2  . LEU Axp A    55  ? 28.237 69.791 25.641 1   58.652  ? 55  A 1 c
ATOM 949  H HG   . LEU Axp A    55  ? 27.852 70.923 23.625 1   64.82   ? 55  A 1 c
ATOM 950  H HD11 . LEU Axp A    55  ? 26.02  69.643 24.442 1   69.068  ? 55  A 1 c
ATOM 951  H HD12 . LEU Axp A    55  ? 25.526 70.857 23.548 1   69.068  ? 55  A 1 c
ATOM 952  H HD13 . LEU Axp A    55  ? 25.431 70.946 25.13  1   69.068  ? 55  A 1 c
ATOM 953  H HD21 . LEU Axp A    55  ? 27.97  73.086 23.819 1   64.832  ? 55  A 1 c
ATOM 954  H HD22 . LEU Axp A    55  ? 27.436 73.081 25.31  1   64.455  ? 55  A 1 c
ATOM 955  H HD23 . LEU Axp A    55  ? 26.411 73.019 24.104 1   64.918  ? 55  A 1 c
ATOM 956  N N    . PRO Axp A    56  ? 30.025 72.631 27.883 1   56.839  ? 56  A 1 .
ATOM 957  C CA   . PRO Axp A    56  ? 29.649 73.892 27.26  1   57.007  ? 56  A 1 .
ATOM 958  C C    . PRO Axp A    56  ? 30.769 74.586 26.487 1   55.525  ? 56  A 1 .
ATOM 959  O O    . PRO Axp A    56  ? 31.937 74.209 26.558 1   54.302  ? 56  A 1 .
ATOM 960  C CB   . PRO Axp A    56  ? 29.322 74.741 28.471 1   61.515  ? 56  A 1 .
ATOM 961  C CG   . PRO Axp A    56  ? 30.381 74.279 29.478 1   60.753  ? 56  A 1 .
ATOM 962  C CD   . PRO Axp A    56  ? 30.449 72.789 29.287 1   60.387  ? 56  A 1 .
ATOM 963  H HA   . PRO Axp A    56  ? 28.86  73.777 26.697 1   57.332  ? 56  A 1 c
ATOM 964  H HB3  . PRO Axp A    56  ? 28.427 74.559 28.803 1   59.84   ? 56  A 1 c
ATOM 965  H HB2  . PRO Axp A    56  ? 29.412 75.693 28.274 1   60.064  ? 56  A 1 c
ATOM 966  H HG3  . PRO Axp A    56  ? 30.115 74.5   30.392 1   60.811  ? 56  A 1 c
ATOM 967  H HG2  . PRO Axp A    56  ? 31.247 74.692 29.291 1   60.703  ? 56  A 1 c
ATOM 968  H HD3  . PRO Axp A    56  ? 31.357 72.452 29.417 1   59.567  ? 56  A 1 c
ATOM 969  H HD2  . PRO Axp A    56  ? 29.839 72.322 29.89  1   59.613  ? 56  A 1 c
ATOM 970  N N    . TYR Axp A    57  ? 30.385 75.635 25.767 1   54.241  ? 57  A 1 .
ATOM 971  C CA   . TYR Axp A    57  ? 31.319 76.42  24.981 1   55.973  ? 57  A 1 .
ATOM 972  C C    . TYR Axp A    57  ? 31.052 77.88  25.328 1   54.157  ? 57  A 1 .
ATOM 973  O O    . TYR Axp A    57  ? 29.976 78.24  25.8   1   47.6    ? 57  A 1 .
ATOM 974  C CB   . TYR Axp A    57  ? 31.22  76.148 23.466 1   60.024  ? 57  A 1 .
ATOM 975  C CG   . TYR Axp A    57  ? 29.895 76.517 22.79  1   63.955  ? 57  A 1 .
ATOM 976  C CD1  . TYR Axp A    57  ? 29.578 77.843 22.515 1   63.524  ? 57  A 1 .
ATOM 977  C CD2  . TYR Axp A    57  ? 28.965 75.544 22.404 1   65.067  ? 57  A 1 .
ATOM 978  C CE1  . TYR Axp A    57  ? 28.375 78.183 21.915 1   65.172  ? 57  A 1 .
ATOM 979  C CE2  . TYR Axp A    57  ? 27.756 75.873 21.809 1   62.735  ? 57  A 1 .
ATOM 980  C CZ   . TYR Axp A    57  ? 27.466 77.2   21.557 1   65.015  ? 57  A 1 .
ATOM 981  O OH   . TYR Axp A    57  ? 26.281 77.532 20.968 1   60.57   ? 57  A 1 .
ATOM 982  H H    . TYR Axp A    57  ? 29.502 75.872 25.762 1   54.96   ? 57  A 1 c
ATOM 983  H HA   . TYR Axp A    57  ? 32.237 76.194 25.277 1   55.948  ? 57  A 1 c
ATOM 984  H HB3  . TYR Axp A    57  ? 31.389 75.191 23.317 1   59.941  ? 57  A 1 c
ATOM 985  H HB2  . TYR Axp A    57  ? 31.944 76.641 23.02  1   59.941  ? 57  A 1 c
ATOM 986  H HD1  . TYR Axp A    57  ? 30.183 78.526 22.757 1   63.925  ? 57  A 1 c
ATOM 987  H HD2  . TYR Axp A    57  ? 29.152 74.637 22.582 1   64.231  ? 57  A 1 c
ATOM 988  H HE1  . TYR Axp A    57  ? 28.176 79.088 21.745 1   64.693  ? 57  A 1 c
ATOM 989  H HE2  . TYR Axp A    57  ? 27.143 75.2   21.57  1   64.104  ? 57  A 1 c
ATOM 990  H HH   . TYR Axp A    57  ? 26.266 78.25  20.647 0   35.43   ? 57  A 1 c
ATOM 991  N N    . TYR Axp A    58  ? 32.044 78.724 25.05  1   57.585  ? 58  A 1 .
ATOM 992  C CA   . TYR Axp A    58  ? 31.962 80.145 25.337 1   56.128  ? 58  A 1 .
ATOM 993  C C    . TYR Axp A    58  ? 32.711 80.905 24.253 1   60.443  ? 58  A 1 .
ATOM 994  O O    . TYR Axp A    58  ? 33.875 80.597 23.989 1   64.404  ? 58  A 1 .
ATOM 995  C CB   . TYR Axp A    58  ? 32.593 80.302 26.717 1   51.859  ? 58  A 1 .
ATOM 996  C CG   . TYR Axp A    58  ? 32.553 81.688 27.324 1   46.482  ? 58  A 1 .
ATOM 997  C CD1  . TYR Axp A    58  ? 31.406 82.146 27.952 1   47.57   ? 58  A 1 .
ATOM 998  C CD2  . TYR Axp A    58  ? 33.682 82.497 27.33  1   47.035  ? 58  A 1 .
ATOM 999  C CE1  . TYR Axp A    58  ? 31.359 83.412 28.512 1   50.207  ? 58  A 1 .
ATOM 1000 C CE2  . TYR Axp A    58  ? 33.657 83.759 27.894 1   49.299  ? 58  A 1 .
ATOM 1001 C CZ   . TYR Axp A    58  ? 32.492 84.21  28.483 1   53.175  ? 58  A 1 .
ATOM 1002 O OH   . TYR Axp A    58  ? 32.507 85.451 29.028 1   61.436  ? 58  A 1 .
ATOM 1003 H H    . TYR Axp A    58  ? 32.808 78.399 24.666 1   56.44   ? 58  A 1 c
ATOM 1004 H HA   . TYR Axp A    58  ? 31.011 80.432 25.363 1   56.417  ? 58  A 1 c
ATOM 1005 H HB3  . TYR Axp A    58  ? 33.531 80.013 26.66  1   51.44   ? 58  A 1 c
ATOM 1006 H HB2  . TYR Axp A    58  ? 32.137 79.687 27.33  1   51.473  ? 58  A 1 c
ATOM 1007 H HD1  . TYR Axp A    58  ? 30.633 81.606 27.959 1   48.168  ? 58  A 1 c
ATOM 1008 H HD2  . TYR Axp A    58  ? 34.474 82.191 26.917 1   47.561  ? 58  A 1 c
ATOM 1009 H HE1  . TYR Axp A    58  ? 30.569 83.723 28.92  1   50.262  ? 58  A 1 c
ATOM 1010 H HE2  . TYR Axp A    58  ? 34.422 84.306 27.873 1   49.745  ? 58  A 1 c
ATOM 1011 H HH   . TYR Axp A    58  ? 31.709 85.596 29.372 0   25.72   ? 58  A 1 c
ATOM 1012 N N    . ILE Axp A    59  ? 32.038 81.891 23.642 1   64.237  ? 59  A 1 .
ATOM 1013 C CA   . ILE Axp A    59  ? 32.626 82.691 22.573 1   61.754  ? 59  A 1 .
ATOM 1014 C C    . ILE Axp A    59  ? 32.625 84.166 22.98  1   57.331  ? 59  A 1 .
ATOM 1015 O O    . ILE Axp A    59  ? 31.597 84.77  23.283 1   39.219  ? 59  A 1 .
ATOM 1016 C CB   . ILE Axp A    59  ? 31.972 82.429 21.204 1   64.055  ? 59  A 1 .
ATOM 1017 C CG1  . ILE Axp A    59  ? 30.565 81.929 21.315 1   78.596  ? 59  A 1 .
ATOM 1018 C CG2  . ILE Axp A    59  ? 32.761 81.413 20.394 1   64.197  ? 59  A 1 .
ATOM 1019 C CD1  . ILE Axp A    59  ? 30.024 81.412 19.99  1   84.581  ? 59  A 1 .
ATOM 1020 H H    . ILE Axp A    59  ? 31.189 82.088 23.919 1   62.834  ? 59  A 1 c
ATOM 1021 H HA   . ILE Axp A    59  ? 33.556 82.417 22.496 1   61.877  ? 59  A 1 c
ATOM 1022 H HB   . ILE Axp A    59  ? 31.956 83.271 20.707 1   66.14   ? 59  A 1 c
ATOM 1023 H HG12 . ILE Axp A    59  ? 29.993 82.655 21.632 1   76.22   ? 59  A 1 c
ATOM 1024 H HG13 . ILE Axp A    59  ? 30.531 81.204 21.972 1   76.035  ? 59  A 1 c
ATOM 1025 H HG21 . ILE Axp A    59  ? 32.546 81.506 19.451 1   64.436  ? 59  A 1 c
ATOM 1026 H HG22 . ILE Axp A    59  ? 32.539 80.514 20.69  1   64.481  ? 59  A 1 c
ATOM 1027 H HG23 . ILE Axp A    59  ? 33.713 81.565 20.519 1   64.24   ? 59  A 1 c
ATOM 1028 H HD11 . ILE Axp A    59  ? 30.316 81.995 19.263 1   82.334  ? 59  A 1 c
ATOM 1029 H HD12 . ILE Axp A    59  ? 29.049 81.407 20.025 1   82.617  ? 59  A 1 c
ATOM 1030 H HD13 . ILE Axp A    59  ? 30.344 80.505 19.828 1   82.427  ? 59  A 1 c
ATOM 1031 N N    . ASP Axp A    60  ? 33.854 84.69  23.039 1   69.691  ? 60  A 1 .
ATOM 1032 C CA   . ASP Axp A    60  ? 34.159 86.004 23.568 1   72.55   ? 60  A 1 .
ATOM 1033 C C    . ASP Axp A    60  ? 34.467 86.917 22.393 1   69.115  ? 60  A 1 .
ATOM 1034 O O    . ASP Axp A    60  ? 34.66  88.102 22.62  1   68.998  ? 60  A 1 .
ATOM 1035 C CB   . ASP Axp A    60  ? 35.372 85.952 24.494 1   83.1    ? 60  A 1 .
ATOM 1036 C CG   . ASP Axp A    60  ? 35.452 87.015 25.583 1   88.411  ? 60  A 1 .
ATOM 1037 O OD1  . ASP Axp A    60  ? 34.451 87.121 26.348 1   91.875  ? 60  A 1 .
ATOM 1038 O OD2  . ASP Axp A    60  ? 36.515 87.708 25.67  1   71.68   ? 60  A 1 .
ATOM 1039 H H    . ASP Axp A    60  ? 34.552 84.182 22.739 1   67.101  ? 60  A 1 c
ATOM 1040 H HA   . ASP Axp A    60  ? 33.376 86.347 24.054 1   72.836  ? 60  A 1 c
ATOM 1041 H HB3  . ASP Axp A    60  ? 36.192 86.004 23.965 1   81.713  ? 60  A 1 c
ATOM 1042 H HB2  . ASP Axp A    60  ? 35.365 85.08  24.941 1   81.638  ? 60  A 1 c
ATOM 1043 N N    . GLY Axp A    61  ? 34.535 86.354 21.166 1   71.289  ? 61  A 1 .
ATOM 1044 C CA   . GLY Axp A    61  ? 35.05  87.057 19.999 1   71.84   ? 61  A 1 .
ATOM 1045 C C    . GLY Axp A    61  ? 36.454 87.576 20.296 1   81.048  ? 61  A 1 .
ATOM 1046 O O    . GLY Axp A    61  ? 37.024 88.401 19.589 1   97.112  ? 61  A 1 .
ATOM 1047 H H    . GLY Axp A    61  ? 34.234 85.499 21.052 1   70.774  ? 61  A 1 c
ATOM 1048 H HA3  . GLY Axp A    61  ? 34.453 87.809 19.778 1   73.658  ? 61  A 1 c
ATOM 1049 H HA2  . GLY Axp A    61  ? 35.075 86.442 19.229 1   73.658  ? 61  A 1 c
ATOM 1050 N N    . ASP Axp A    62  ? 36.953 87.136 21.44  1   86.957  ? 62  A 1 .
ATOM 1051 C CA   . ASP Axp A    62  ? 38.358 87.128 21.757 1   92.857  ? 62  A 1 .
ATOM 1052 C C    . ASP Axp A    62  ? 38.811 85.676 21.713 1   92.931  ? 62  A 1 .
ATOM 1053 O O    . ASP Axp A    62  ? 39.936 85.38  21.331 1   100.369 ? 62  A 1 .
ATOM 1054 C CB   . ASP Axp A    62  ? 38.573 87.757 23.121 1   94.169  ? 62  A 1 .
ATOM 1055 C CG   . ASP Axp A    62  ? 39.188 89.145 23.099 1   92.414  ? 62  A 1 .
ATOM 1056 O OD1  . ASP Axp A    62  ? 40.333 89.269 22.615 1   93.368  ? 62  A 1 .
ATOM 1057 O OD2  . ASP Axp A    62  ? 38.533 90.079 23.589 1   91.594  ? 62  A 1 .
ATOM 1058 H H    . ASP Axp A    62  ? 36.375 86.853 22.083 1   86.249  ? 62  A 1 c
ATOM 1059 H HA   . ASP Axp A    62  ? 38.846 87.64  21.072 1   91.896  ? 62  A 1 c
ATOM 1060 H HB3  . ASP Axp A    62  ? 39.156 87.177 23.654 1   93.394  ? 62  A 1 c
ATOM 1061 H HB2  . ASP Axp A    62  ? 37.711 87.818 23.581 1   93.12   ? 62  A 1 c
ATOM 1062 N N    . VAL Axp A    63  ? 37.894 84.781 22.09  1   82.53   ? 63  A 1 .
ATOM 1063 C CA   . VAL Axp A    63  ? 38.257 83.403 22.331 1   79.81   ? 63  A 1 .
ATOM 1064 C C    . VAL Axp A    63  ? 37.048 82.524 22.057 1   71.75   ? 63  A 1 .
ATOM 1065 O O    . VAL Axp A    63  ? 35.912 82.993 22.075 1   55.393  ? 63  A 1 .
ATOM 1066 C CB   . VAL Axp A    63  ? 38.76  83.2   23.772 1   83.326  ? 63  A 1 .
ATOM 1067 C CG1  . VAL Axp A    63  ? 40.045 83.97  24.049 1   83.54   ? 63  A 1 .
ATOM 1068 C CG2  . VAL Axp A    63  ? 37.694 83.557 24.799 1   81.408  ? 63  A 1 .
ATOM 1069 H H    . VAL Axp A    63  ? 37.021 85.03  22.192 1   84.237  ? 63  A 1 c
ATOM 1070 H HA   . VAL Axp A    63  ? 38.97  83.154 21.712 1   79.489  ? 63  A 1 c
ATOM 1071 H HB   . VAL Axp A    63  ? 38.961 82.24  23.874 1   82.343  ? 63  A 1 c
ATOM 1072 H HG11 . VAL Axp A    63  ? 39.843 84.911 24.18  1   83.532  ? 63  A 1 c
ATOM 1073 H HG12 . VAL Axp A    63  ? 40.647 83.869 23.296 1   83.578  ? 63  A 1 c
ATOM 1074 H HG13 . VAL Axp A    63  ? 40.469 83.617 24.85  1   83.507  ? 63  A 1 c
ATOM 1075 H HG21 . VAL Axp A    63  ? 37.892 83.11  25.639 1   81.777  ? 63  A 1 c
ATOM 1076 H HG22 . VAL Axp A    63  ? 36.821 83.273 24.483 1   81.675  ? 63  A 1 c
ATOM 1077 H HG23 . VAL Axp A    63  ? 37.689 84.518 24.941 1   81.889  ? 63  A 1 c
ATOM 1078 N N    . LYS Axp A    64  ? 37.348 81.243 21.815 1   70.785  ? 64  A 1 .
ATOM 1079 C CA   . LYS Axp A    64  ? 36.348 80.226 21.559 1   63.085  ? 64  A 1 .
ATOM 1080 C C    . LYS Axp A    64  ? 36.697 79.01  22.396 1   53.236  ? 64  A 1 .
ATOM 1081 O O    . LYS Axp A    64  ? 37.598 78.266 22.044 1   61.936  ? 64  A 1 .
ATOM 1082 C CB   . LYS Axp A    64  ? 36.334 79.875 20.069 1   71.557  ? 64  A 1 .
ATOM 1083 C CG   . LYS Axp A    64  ? 36.307 81.075 19.128 1   86.52   ? 64  A 1 .
ATOM 1084 C CD   . LYS Axp A    64  ? 35.444 80.87  17.884 1   104.343 ? 64  A 1 .
ATOM 1085 C CE   . LYS Axp A    64  ? 35.313 82.105 17.014 1   118.312 ? 64  A 1 .
ATOM 1086 N NZ   . LYS Axp A    64  ? 35.165 83.4   17.707 1   117.837 ? 64  A 1 .
ATOM 1087 H H    . LYS Axp A    64  ? 38.228 80.994 21.81  1   69.209  ? 64  A 1 c
ATOM 1088 H HA   . LYS Axp A    64  ? 35.459 80.569 21.832 1   63.754  ? 64  A 1 c
ATOM 1089 H HB3  . LYS Axp A    64  ? 35.547 79.32  19.885 1   72.829  ? 64  A 1 c
ATOM 1090 H HB2  . LYS Axp A    64  ? 37.13  79.341 19.861 1   72.495  ? 64  A 1 c
ATOM 1091 H HG3  . LYS Axp A    64  ? 37.227 81.274 18.849 1   86.409  ? 64  A 1 c
ATOM 1092 H HG2  . LYS Axp A    64  ? 35.97  81.852 19.623 1   86.259  ? 64  A 1 c
ATOM 1093 H HD3  . LYS Axp A    64  ? 34.548 80.585 18.166 1   102.63  ? 64  A 1 c
ATOM 1094 H HD2  . LYS Axp A    64  ? 35.832 80.145 17.348 1   102.643 ? 64  A 1 c
ATOM 1095 H HE3  . LYS Axp A    64  ? 34.542 81.985 16.431 1   114.854 ? 64  A 1 c
ATOM 1096 H HE2  . LYS Axp A    64  ? 36.098 82.158 16.441 1   114.854 ? 64  A 1 c
ATOM 1097 H HZ1  . LYS Axp A    64  ? 35.969 83.675 18.021 1   117.747 ? 64  A 1 c
ATOM 1098 H HZ2  . LYS Axp A    64  ? 34.587 83.313 18.4   1   117.684 ? 64  A 1 c
ATOM 1099 H HZ3  . LYS Axp A    64  ? 34.844 84.02  17.13  1   117.881 ? 64  A 1 c
ATOM 1100 N N    . LEU Axp A    65  ? 36.015 78.836 23.523 1   48.635  ? 65  A 1 .
ATOM 1101 C CA   . LEU Axp A    65  ? 36.453 77.871 24.514 1   49.575  ? 65  A 1 .
ATOM 1102 C C    . LEU Axp A    65  ? 35.497 76.697 24.601 1   50.583  ? 65  A 1 .
ATOM 1103 O O    . LEU Axp A    65  ? 34.286 76.851 24.546 1   50.36   ? 65  A 1 .
ATOM 1104 C CB   . LEU Axp A    65  ? 36.563 78.514 25.886 1   51.574  ? 65  A 1 .
ATOM 1105 C CG   . LEU Axp A    65  ? 37.696 79.521 26.027 1   53.721  ? 65  A 1 .
ATOM 1106 C CD1  . LEU Axp A    65  ? 37.62  80.181 27.391 1   54.744  ? 65  A 1 .
ATOM 1107 C CD2  . LEU Axp A    65  ? 38.997 78.775 25.797 1   54.486  ? 65  A 1 .
ATOM 1108 H H    . LEU Axp A    65  ? 35.259 79.325 23.681 1   50.095  ? 65  A 1 c
ATOM 1109 H HA   . LEU Axp A    65  ? 37.341 77.53  24.245 1   50.104  ? 65  A 1 c
ATOM 1110 H HB3  . LEU Axp A    65  ? 36.69  77.802 26.554 1   51.599  ? 65  A 1 c
ATOM 1111 H HB2  . LEU Axp A    65  ? 35.712 78.97  26.083 1   51.589  ? 65  A 1 c
ATOM 1112 H HG   . LEU Axp A    65  ? 37.594 80.216 25.326 1   53.644  ? 65  A 1 c
ATOM 1113 H HD11 . LEU Axp A    65  ? 36.758 80.619 27.493 1   54.439  ? 65  A 1 c
ATOM 1114 H HD12 . LEU Axp A    65  ? 38.329 80.842 27.472 1   54.439  ? 65  A 1 c
ATOM 1115 H HD13 . LEU Axp A    65  ? 37.725 79.508 28.084 1   54.439  ? 65  A 1 c
ATOM 1116 H HD21 . LEU Axp A    65  ? 39.198 78.757 24.846 1   54.219  ? 65  A 1 c
ATOM 1117 H HD22 . LEU Axp A    65  ? 38.916 77.864 26.127 1   54.214  ? 65  A 1 c
ATOM 1118 H HD23 . LEU Axp A    65  ? 39.717 79.225 26.269 1   54.245  ? 65  A 1 c
ATOM 1119 N N    . THR Axp A    66  ? 36.095 75.523 24.762 1   53.157  ? 66  A 1 .
ATOM 1120 C CA   . THR Axp A    66  ? 35.406 74.351 25.252 1   51.179  ? 66  A 1 .
ATOM 1121 C C    . THR Axp A    66  ? 36.055 74.027 26.586 1   52.789  ? 66  A 1 .
ATOM 1122 O O    . THR Axp A    66  ? 37.034 74.676 26.972 1   46.469  ? 66  A 1 .
ATOM 1123 C CB   . THR Axp A    66  ? 35.507 73.184 24.271 1   51.651  ? 66  A 1 .
ATOM 1124 O OG1  . THR Axp A    66  ? 36.5   73.508 23.296 1   53.265  ? 66  A 1 .
ATOM 1125 C CG2  . THR Axp A    66  ? 34.171 72.899 23.612 1   52.147  ? 66  A 1 .
ATOM 1126 H H    . THR Axp A    66  ? 36.981 75.446 24.551 1   52.05   ? 66  A 1 c
ATOM 1127 H HA   . THR Axp A    66  ? 34.461 74.571 25.399 1   51.925  ? 66  A 1 c
ATOM 1128 H HB   . THR Axp A    66  ? 35.789 72.371 24.755 1   51.988  ? 66  A 1 c
ATOM 1129 H HG1  . THR Axp A    66  ? 36.245 74.282 22.769 0   31.37   ? 66  A 1 c
ATOM 1130 H HG21 . THR Axp A    66  ? 34.174 72     23.256 1   52.073  ? 66  A 1 c
ATOM 1131 H HG22 . THR Axp A    66  ? 34.023 73.532 22.89  1   52.016  ? 66  A 1 c
ATOM 1132 H HG23 . THR Axp A    66  ? 33.458 72.983 24.267 1   52.012  ? 66  A 1 c
ATOM 1133 N N    . GLN Axp A    67  ? 35.484 73.022 27.258 1   54.271  ? 67  A 1 .
ATOM 1134 C CA   . GLN Axp A    67  ? 35.971 72.569 28.548 1   48.803  ? 67  A 1 .
ATOM 1135 C C    . GLN Axp A    67  ? 35.458 73.523 29.613 1   43.073  ? 67  A 1 .
ATOM 1136 O O    . GLN Axp A    67  ? 35.888 74.671 29.677 1   35.551  ? 67  A 1 .
ATOM 1137 C CB   . GLN Axp A    67  ? 37.495 72.488 28.636 1   48.427  ? 67  A 1 .
ATOM 1138 C CG   . GLN Axp A    67  ? 38.11  71.4   27.768 1   47.275  ? 67  A 1 .
ATOM 1139 C CD   . GLN Axp A    67  ? 37.693 70.02  28.215 1   46.762  ? 67  A 1 .
ATOM 1140 O OE1  . GLN Axp A    67  ? 37.627 69.712 29.405 1   50.363  ? 67  A 1 .
ATOM 1141 N NE2  . GLN Axp A    67  ? 37.362 69.177 27.262 1   49.927  ? 67  A 1 .
ATOM 1142 H H    . GLN Axp A    67  ? 34.756 72.603 26.897 1   52.613  ? 67  A 1 c
ATOM 1143 H HA   . GLN Axp A    67  ? 35.598 71.671 28.717 1   48.58   ? 67  A 1 c
ATOM 1144 H HB3  . GLN Axp A    67  ? 37.741 72.319 29.57  1   48.215  ? 67  A 1 c
ATOM 1145 H HB2  . GLN Axp A    67  ? 37.881 73.35  28.387 1   48.176  ? 67  A 1 c
ATOM 1146 H HG3  . GLN Axp A    67  ? 39.084 71.465 27.81  1   47.418  ? 67  A 1 c
ATOM 1147 H HG2  . GLN Axp A    67  ? 37.838 71.533 26.835 1   47.439  ? 67  A 1 c
ATOM 1148 H HE21 . GLN Axp A    67  ? 36.683 68.62  27.38  1   48.925  ? 67  A 1 c
ATOM 1149 H HE22 . GLN Axp A    67  ? 37.819 69.167 26.502 1   48.906  ? 67  A 1 c
ATOM 1150 N N    . SER Axp A    68  ? 34.552 72.996 30.439 1   45.152  ? 68  A 1 .
ATOM 1151 C CA   . SER Axp A    68  ? 33.856 73.744 31.467 1   43.971  ? 68  A 1 .
ATOM 1152 C C    . SER Axp A    68  ? 34.862 74.419 32.384 1   42.251  ? 68  A 1 .
ATOM 1153 O O    . SER Axp A    68  ? 34.74  75.612 32.632 1   44.812  ? 68  A 1 .
ATOM 1154 C CB   . SER Axp A    68  ? 32.902 72.855 32.22  1   44.347  ? 68  A 1 .
ATOM 1155 O OG   . SER Axp A    68  ? 33.265 71.486 32.084 1   46.767  ? 68  A 1 .
ATOM 1156 H H    . SER Axp A    68  ? 34.353 72.11  30.351 1   44.479  ? 68  A 1 c
ATOM 1157 H HA   . SER Axp A    68  ? 33.328 74.453 31.02  1   43.949  ? 68  A 1 c
ATOM 1158 H HB3  . SER Axp A    68  ? 31.998 72.986 31.874 1   44.821  ? 68  A 1 c
ATOM 1159 H HB2  . SER Axp A    68  ? 32.906 73.1   33.164 1   44.809  ? 68  A 1 c
ATOM 1160 H HG   . SER Axp A    68  ? 32.589 70.966 32.252 0   24.77   ? 68  A 1 c
ATOM 1161 N N    . MET Axp A    69  ? 35.87  73.676 32.855 1   39.556  ? 69  A 1 .
ATOM 1162 C CA   . MET Axp A    69  ? 36.779 74.281 33.81  1   38.607  ? 69  A 1 .
ATOM 1163 C C    . MET Axp A    69  ? 37.53  75.432 33.183 1   34.576  ? 69  A 1 .
ATOM 1164 O O    . MET Axp A    69  ? 37.762 76.404 33.859 1   36.034  ? 69  A 1 .
ATOM 1165 C CB   . MET Axp A    69  ? 37.818 73.335 34.401 1   41.585  ? 69  A 1 .
ATOM 1166 C CG   . MET Axp A    69  ? 37.258 72.506 35.544 1   46.315  ? 69  A 1 .
ATOM 1167 S SD   . MET Axp A    69  ? 36.14  73.376 36.663 1   44.631  ? 69  A 1 .
ATOM 1168 C CE   . MET Axp A    69  ? 37.508 74.231 37.442 1   48.951  ? 69  A 1 .
ATOM 1169 H H    . MET Axp A    69  ? 35.989 72.809 32.593 1   40.022  ? 69  A 1 c
ATOM 1170 H HA   . MET Axp A    69  ? 36.231 74.653 34.545 1   38.615  ? 69  A 1 c
ATOM 1171 H HB3  . MET Axp A    69  ? 38.58  73.86  34.727 1   41.857  ? 69  A 1 c
ATOM 1172 H HB2  . MET Axp A    69  ? 38.141 72.736 33.695 1   41.896  ? 69  A 1 c
ATOM 1173 H HG3  . MET Axp A    69  ? 38.003 72.151 36.068 1   44.861  ? 69  A 1 c
ATOM 1174 H HG2  . MET Axp A    69  ? 36.777 71.742 35.168 1   44.823  ? 69  A 1 c
ATOM 1175 H HE3  . MET Axp A    69  ? 37.901 74.86  36.808 1   47.816  ? 69  A 1 c
ATOM 1176 H HE2  . MET Axp A    69  ? 38.182 73.582 37.715 1   47.856  ? 69  A 1 c
ATOM 1177 H HE1  . MET Axp A    69  ? 37.181 74.719 38.22  1   47.88   ? 69  A 1 c
ATOM 1178 N N    . ALA Axp A    70  ? 37.881 75.33  31.909 1   33.676  ? 70  A 1 .
ATOM 1179 C CA   . ALA Axp A    70  ? 38.649 76.376 31.247 1   34.189  ? 70  A 1 .
ATOM 1180 C C    . ALA Axp A    70  ? 37.83  77.652 31.105 1   33.11   ? 70  A 1 .
ATOM 1181 O O    . ALA Axp A    70  ? 38.366 78.76  31.168 1   28.23   ? 70  A 1 .
ATOM 1182 C CB   . ALA Axp A    70  ? 39.114 75.894 29.891 1   35.792  ? 70  A 1 .
ATOM 1183 H H    . ALA Axp A    70  ? 37.644 74.588 31.431 1   34.118  ? 70  A 1 c
ATOM 1184 H HA   . ALA Axp A    70  ? 39.446 76.58  31.81  1   34.186  ? 70  A 1 c
ATOM 1185 H HB3  . ALA Axp A    70  ? 39.686 76.566 29.484 1   35.311  ? 70  A 1 c
ATOM 1186 H HB2  . ALA Axp A    70  ? 38.345 75.737 29.318 1   35.311  ? 70  A 1 c
ATOM 1187 H HB1  . ALA Axp A    70  ? 39.614 75.066 29.992 1   35.31   ? 70  A 1 c
ATOM 1188 N N    . ILE Axp A    71  ? 36.525 77.468 30.902 1   36.035  ? 71  A 1 .
ATOM 1189 C CA   . ILE Axp A    71  ? 35.623 78.591 30.745 1   38.424  ? 71  A 1 .
ATOM 1190 C C    . ILE Axp A    71  ? 35.546 79.388 32.039 1   38.414  ? 71  A 1 .
ATOM 1191 O O    . ILE Axp A    71  ? 35.572 80.604 31.982 1   41.642  ? 71  A 1 .
ATOM 1192 C CB   . ILE Axp A    71  ? 34.216 78.137 30.342 1   40.607  ? 71  A 1 .
ATOM 1193 C CG1  . ILE Axp A    71  ? 34.204 77.539 28.93  1   44.752  ? 71  A 1 .
ATOM 1194 C CG2  . ILE Axp A    71  ? 33.248 79.308 30.492 1   39.993  ? 71  A 1 .
ATOM 1195 C CD1  . ILE Axp A    71  ? 32.831 77.106 28.417 1   48.377  ? 71  A 1 .
ATOM 1196 H H    . ILE Axp A    71  ? 36.187 76.62  30.851 1   35.919  ? 71  A 1 c
ATOM 1197 H HA   . ILE Axp A    71  ? 35.973 79.172 30.042 1   38.263  ? 71  A 1 c
ATOM 1198 H HB   . ILE Axp A    71  ? 33.938 77.436 30.964 1   40.798  ? 71  A 1 c
ATOM 1199 H HG12 . ILE Axp A    71  ? 34.799 76.763 28.916 1   44.391  ? 71  A 1 c
ATOM 1200 H HG13 . ILE Axp A    71  ? 34.571 78.203 28.31  1   44.527  ? 71  A 1 c
ATOM 1201 H HG21 . ILE Axp A    71  ? 32.404 79.094 30.061 1   40.258  ? 71  A 1 c
ATOM 1202 H HG22 . ILE Axp A    71  ? 33.628 80.101 30.078 1   40.176  ? 71  A 1 c
ATOM 1203 H HG23 . ILE Axp A    71  ? 33.087 79.483 31.434 1   40.193  ? 71  A 1 c
ATOM 1204 H HD11 . ILE Axp A    71  ? 32.331 76.695 29.146 1   47.382  ? 71  A 1 c
ATOM 1205 H HD12 . ILE Axp A    71  ? 32.943 76.457 27.696 1   47.342  ? 71  A 1 c
ATOM 1206 H HD13 . ILE Axp A    71  ? 32.338 77.877 28.083 1   47.322  ? 71  A 1 c
ATOM 1207 N N    . ILE Axp A    72  ? 35.352 78.709 33.176 1   38.494  ? 72  A 1 .
ATOM 1208 C CA   . ILE Axp A    72  ? 35.11  79.377 34.448 1   37.743  ? 72  A 1 .
ATOM 1209 C C    . ILE Axp A    72  ? 36.38  80.067 34.935 1   37.926  ? 72  A 1 .
ATOM 1210 O O    . ILE Axp A    72  ? 36.32  81.127 35.551 1   35.359  ? 72  A 1 .
ATOM 1211 C CB   . ILE Axp A    72  ? 34.565 78.404 35.508 1   35.397  ? 72  A 1 .
ATOM 1212 C CG1  . ILE Axp A    72  ? 33.921 79.19  36.65  1   36.987  ? 72  A 1 .
ATOM 1213 C CG2  . ILE Axp A    72  ? 35.649 77.445 36.002 1   32.696  ? 72  A 1 .
ATOM 1214 C CD1  . ILE Axp A    72  ? 32.958 78.399 37.517 1   37.029  ? 72  A 1 .
ATOM 1215 H H    . ILE Axp A    72  ? 35.365 77.795 33.157 1   38.201  ? 72  A 1 c
ATOM 1216 H HA   . ILE Axp A    72  ? 34.433 80.065 34.297 1   37.522  ? 72  A 1 c
ATOM 1217 H HB   . ILE Axp A    72  ? 33.863 77.869 35.085 1   35.624  ? 72  A 1 c
ATOM 1218 H HG12 . ILE Axp A    72  ? 33.439 79.953 36.271 1   36.639  ? 72  A 1 c
ATOM 1219 H HG13 . ILE Axp A    72  ? 34.632 79.545 37.222 1   36.616  ? 72  A 1 c
ATOM 1220 H HG21 . ILE Axp A    72  ? 35.235 76.7   36.468 1   33.511  ? 72  A 1 c
ATOM 1221 H HG22 . ILE Axp A    72  ? 36.248 77.911 36.609 1   33.542  ? 72  A 1 c
ATOM 1222 H HG23 . ILE Axp A    72  ? 36.154 77.109 35.246 1   33.618  ? 72  A 1 c
ATOM 1223 H HD11 . ILE Axp A    72  ? 32.27  77.993 36.955 1   37.017  ? 72  A 1 c
ATOM 1224 H HD12 . ILE Axp A    72  ? 32.536 78.995 38.164 1   37.017  ? 72  A 1 c
ATOM 1225 H HD13 . ILE Axp A    72  ? 33.444 77.698 37.991 1   37.017  ? 72  A 1 c
ATOM 1226 N N    . ARG Axp A    73  ? 37.521 79.451 34.649 1   43.121  ? 73  A 1 .
ATOM 1227 C CA   . ARG Axp A    73  ? 38.796 79.997 35.064 1   54.902  ? 73  A 1 .
ATOM 1228 C C    . ARG Axp A    73  ? 39.01  81.307 34.322 1   54.881  ? 73  A 1 .
ATOM 1229 O O    . ARG Axp A    73  ? 39.405 82.31  34.914 1   49.209  ? 73  A 1 .
ATOM 1230 C CB   . ARG Axp A    73  ? 39.935 79.007 34.775 1   65.433  ? 73  A 1 .
ATOM 1231 C CG   . ARG Axp A    73  ? 39.786 77.676 35.503 1   68.767  ? 73  A 1 .
ATOM 1232 C CD   . ARG Axp A    73  ? 41.046 76.866 35.56  1   67.076  ? 73  A 1 .
ATOM 1233 N NE   . ARG Axp A    73  ? 41.884 77.537 36.558 1   83.247  ? 73  A 1 .
ATOM 1234 C CZ   . ARG Axp A    73  ? 42.68  76.951 37.454 1   118.58  ? 73  A 1 .
ATOM 1235 N NH1  . ARG Axp A    73  ? 42.798 75.629 37.488 1   132.683 ? 73  A 1 .
ATOM 1236 N NH2  . ARG Axp A    73  ? 43.382 77.683 38.312 1   116.96  ? 73  A 1 .
ATOM 1237 H H    . ARG Axp A    73  ? 37.508 78.667 34.178 1   44.294  ? 73  A 1 c
ATOM 1238 H HA   . ARG Axp A    73  ? 38.76  80.181 36.037 1   53.818  ? 73  A 1 c
ATOM 1239 H HB3  . ARG Axp A    73  ? 40.786 79.42  35.034 1   63.845  ? 73  A 1 c
ATOM 1240 H HB2  . ARG Axp A    73  ? 39.968 78.837 33.81  1   63.65   ? 73  A 1 c
ATOM 1241 H HG3  . ARG Axp A    73  ? 39.093 77.147 35.061 1   67.023  ? 73  A 1 c
ATOM 1242 H HG2  . ARG Axp A    73  ? 39.48  77.848 36.42  1   67.578  ? 73  A 1 c
ATOM 1243 H HD3  . ARG Axp A    73  ? 41.5   76.856 34.693 1   71.119  ? 73  A 1 c
ATOM 1244 H HD2  . ARG Axp A    73  ? 40.854 75.948 35.836 1   71.736  ? 73  A 1 c
ATOM 1245 H HE   . ARG Axp A    73  ? 41.873 78.407 36.575 1   85.852  ? 73  A 1 c
ATOM 1246 H HH11 . ARG Axp A    73  ? 42.081 75.113 37.501 1   126.891 ? 73  A 1 c
ATOM 1247 H HH12 . ARG Axp A    73  ? 43.602 75.268 37.531 1   127.578 ? 73  A 1 c
ATOM 1248 H HH21 . ARG Axp A    73  ? 44.181 77.983 38.082 1   116.729 ? 73  A 1 c
ATOM 1249 H HH22 . ARG Axp A    73  ? 43.047 77.865 39.11  1   116.729 ? 73  A 1 c
ATOM 1250 N N    . TYR Axp A    74  ? 38.755 81.256 33.013 1   59.301  ? 74  A 1 .
ATOM 1251 C CA   . TYR Axp A    74  ? 38.853 82.423 32.151 1   62.773  ? 74  A 1 .
ATOM 1252 C C    . TYR Axp A    74  ? 38.031 83.567 32.742 1   51.977  ? 74  A 1 .
ATOM 1253 O O    . TYR Axp A    74  ? 38.586 84.603 33.081 1   51.383  ? 74  A 1 .
ATOM 1254 C CB   . TYR Axp A    74  ? 38.372 82.042 30.749 1   67.901  ? 74  A 1 .
ATOM 1255 C CG   . TYR Axp A    74  ? 38.416 83.153 29.713 1   57.605  ? 74  A 1 .
ATOM 1256 C CD1  . TYR Axp A    74  ? 39.598 83.821 29.447 1   53.084  ? 74  A 1 .
ATOM 1257 C CD2  . TYR Axp A    74  ? 37.273 83.515 29.014 1   52.992  ? 74  A 1 .
ATOM 1258 C CE1  . TYR Axp A    74  ? 39.648 84.812 28.489 1   58.099  ? 74  A 1 .
ATOM 1259 C CE2  . TYR Axp A    74  ? 37.311 84.509 28.059 1   58.718  ? 74  A 1 .
ATOM 1260 C CZ   . TYR Axp A    74  ? 38.5   85.167 27.805 1   64.457  ? 74  A 1 .
ATOM 1261 O OH   . TYR Axp A    74  ? 38.523 86.174 26.877 1   80.094  ? 74  A 1 .
ATOM 1262 H H    . TYR Axp A    74  ? 38.519 80.457 32.638 1   58.902  ? 74  A 1 c
ATOM 1263 H HA   . TYR Axp A    74  ? 39.806 82.703 32.1   1   60.746  ? 74  A 1 c
ATOM 1264 H HB3  . TYR Axp A    74  ? 37.449 81.715 30.818 1   63.696  ? 74  A 1 c
ATOM 1265 H HB2  . TYR Axp A    74  ? 38.922 81.294 30.428 1   63.81   ? 74  A 1 c
ATOM 1266 H HD1  . TYR Axp A    74  ? 40.385 83.58  29.909 1   55.432  ? 74  A 1 c
ATOM 1267 H HD2  . TYR Axp A    74  ? 36.46  83.066 29.184 1   55.573  ? 74  A 1 c
ATOM 1268 H HE1  . TYR Axp A    74  ? 40.456 85.268 28.323 1   58.373  ? 74  A 1 c
ATOM 1269 H HE2  . TYR Axp A    74  ? 36.529 84.754 27.596 1   58.588  ? 74  A 1 c
ATOM 1270 H HH   . TYR Axp A    74  ? 39.352 86.505 26.859 0   34.18   ? 74  A 1 c
ATOM 1271 N N    . ILE Axp A    75  ? 36.723 83.352 32.912 1   41.345  ? 75  A 1 .
ATOM 1272 C CA   . ILE Axp A    75  ? 35.852 84.38  33.442 1   37.462  ? 75  A 1 .
ATOM 1273 C C    . ILE Axp A    75  ? 36.454 84.929 34.73  1   36.638  ? 75  A 1 .
ATOM 1274 O O    . ILE Axp A    75  ? 36.363 86.112 35.006 1   33.532  ? 75  A 1 .
ATOM 1275 C CB   . ILE Axp A    75  ? 34.424 83.849 33.647 1   37.086  ? 75  A 1 .
ATOM 1276 C CG1  . ILE Axp A    75  ? 33.793 83.414 32.316 1   34.588  ? 75  A 1 .
ATOM 1277 C CG2  . ILE Axp A    75  ? 33.552 84.893 34.357 1   39.539  ? 75  A 1 .
ATOM 1278 C CD1  . ILE Axp A    75  ? 32.483 82.651 32.458 1   34.924  ? 75  A 1 .
ATOM 1279 H H    . ILE Axp A    75  ? 36.372 82.533 32.708 1   42.979  ? 75  A 1 c
ATOM 1280 H HA   . ILE Axp A    75  ? 35.812 85.107 32.79  1   37.962  ? 75  A 1 c
ATOM 1281 H HB   . ILE Axp A    75  ? 34.479 83.061 34.223 1   37.116  ? 75  A 1 c
ATOM 1282 H HG12 . ILE Axp A    75  ? 34.43  82.852 31.832 1   35.337  ? 75  A 1 c
ATOM 1283 H HG13 . ILE Axp A    75  ? 33.631 84.213 31.774 1   35.24   ? 75  A 1 c
ATOM 1284 H HG21 . ILE Axp A    75  ? 32.692 84.502 34.578 1   38.798  ? 75  A 1 c
ATOM 1285 H HG22 . ILE Axp A    75  ? 33.418 85.658 33.772 1   38.795  ? 75  A 1 c
ATOM 1286 H HG23 . ILE Axp A    75  ? 33.987 85.185 35.175 1   38.76   ? 75  A 1 c
ATOM 1287 H HD11 . ILE Axp A    75  ? 32.677 81.696 32.52  1   34.915  ? 75  A 1 c
ATOM 1288 H HD12 . ILE Axp A    75  ? 31.926 82.815 31.674 1   34.951  ? 75  A 1 c
ATOM 1289 H HD13 . ILE Axp A    75  ? 32.005 82.934 33.259 1   35.027  ? 75  A 1 c
ATOM 1290 N N    . ALA Axp A    76  ? 37.089 84.06  35.505 1   41.376  ? 76  A 1 .
ATOM 1291 C CA   . ALA Axp A    76  ? 37.74  84.458 36.739 1   47.845  ? 76  A 1 .
ATOM 1292 C C    . ALA Axp A    76  ? 38.964 85.313 36.446 1   49.581  ? 76  A 1 .
ATOM 1293 O O    . ALA Axp A    76  ? 39.046 86.461 36.855 1   53.565  ? 76  A 1 .
ATOM 1294 C CB   . ALA Axp A    76  ? 38.134 83.219 37.509 1   57.295  ? 76  A 1 .
ATOM 1295 H H    . ALA Axp A    76  ? 37.1   83.177 35.271 1   41.81   ? 76  A 1 c
ATOM 1296 H HA   . ALA Axp A    76  ? 37.097 84.996 37.28  1   48.225  ? 76  A 1 c
ATOM 1297 H HB3  . ALA Axp A    76  ? 38.217 83.437 38.453 1   54.203  ? 76  A 1 c
ATOM 1298 H HB2  . ALA Axp A    76  ? 38.984 82.88  37.186 1   54.129  ? 76  A 1 c
ATOM 1299 H HB1  . ALA Axp A    76  ? 37.454 82.535 37.4   1   53.95   ? 76  A 1 c
ATOM 1300 N N    . ASP Axp A    77  ? 39.893 84.719 35.701 1   51.668  ? 77  A 1 .
ATOM 1301 C CA   . ASP Axp A    77  ? 41.129 85.342 35.261 1   50.829  ? 77  A 1 .
ATOM 1302 C C    . ASP Axp A    77  ? 40.903 86.77  34.767 1   53.621  ? 77  A 1 .
ATOM 1303 O O    . ASP Axp A    77  ? 41.791 87.604 34.896 1   57.068  ? 77  A 1 .
ATOM 1304 C CB   . ASP Axp A    77  ? 41.709 84.48  34.153 1   48.318  ? 77  A 1 .
ATOM 1305 C CG   . ASP Axp A    77  ? 43.211 84.478 34.006 1   47.559  ? 77  A 1 .
ATOM 1306 O OD1  . ASP Axp A    77  ? 43.823 85.466 34.447 1   43.75   ? 77  A 1 .
ATOM 1307 O OD2  . ASP Axp A    77  ? 43.725 83.463 33.474 1   47.691  ? 77  A 1 .
ATOM 1308 H H    . ASP Axp A    77  ? 39.736 83.859 35.437 1   50.929  ? 77  A 1 c
ATOM 1309 H HA   . ASP Axp A    77  ? 41.756 85.36  36.019 1   51.005  ? 77  A 1 c
ATOM 1310 H HB3  . ASP Axp A    77  ? 41.326 84.771 33.3   1   48.751  ? 77  A 1 c
ATOM 1311 H HB2  . ASP Axp A    77  ? 41.439 83.55  34.292 1   48.832  ? 77  A 1 c
ATOM 1312 N N    . LYS Axp A    78  ? 39.726 87.029 34.178 1   56.46   ? 78  A 1 .
ATOM 1313 C CA   . LYS Axp A    78  ? 39.37  88.331 33.64  1   64.141  ? 78  A 1 .
ATOM 1314 C C    . LYS Axp A    78  ? 38.842 89.26  34.734 1   63.095  ? 78  A 1 .
ATOM 1315 O O    . LYS Axp A    78  ? 38.052 90.16  34.449 1   63.257  ? 78  A 1 .
ATOM 1316 C CB   . LYS Axp A    78  ? 38.287 88.15  32.563 1   74      ? 78  A 1 .
ATOM 1317 C CG   . LYS Axp A    78  ? 38.709 87.544 31.22  1   83.238  ? 78  A 1 .
ATOM 1318 C CD   . LYS Axp A    78  ? 38.948 88.507 30.047 1   96.128  ? 78  A 1 .
ATOM 1319 C CE   . LYS Axp A    78  ? 40.139 89.452 30.183 1   101.066 ? 78  A 1 .
ATOM 1320 N NZ   . LYS Axp A    78  ? 40.52  90.137 28.942 1   97.109  ? 78  A 1 .
ATOM 1321 H H    . LYS Axp A    78  ? 39.124 86.349 34.087 1   57.483  ? 78  A 1 c
ATOM 1322 H HA   . LYS Axp A    78  ? 40.176 88.738 33.23  1   63.907  ? 78  A 1 c
ATOM 1323 H HB3  . LYS Axp A    78  ? 37.89  89.028 32.379 1   73.434  ? 78  A 1 c
ATOM 1324 H HB2  . LYS Axp A    78  ? 37.578 87.585 32.938 1   73.433  ? 78  A 1 c
ATOM 1325 H HG3  . LYS Axp A    78  ? 38.019 86.9   30.951 1   83.723  ? 78  A 1 c
ATOM 1326 H HG2  . LYS Axp A    78  ? 39.534 87.031 31.368 1   83.723  ? 78  A 1 c
ATOM 1327 H HD3  . LYS Axp A    78  ? 38.136 89.044 29.921 1   94.1    ? 78  A 1 c
ATOM 1328 H HD2  . LYS Axp A    78  ? 39.067 87.972 29.231 1   94.1    ? 78  A 1 c
ATOM 1329 H HE3  . LYS Axp A    78  ? 40.906 88.945 30.504 1   98.983  ? 78  A 1 c
ATOM 1330 H HE2  . LYS Axp A    78  ? 39.93  90.125 30.856 1   98.986  ? 78  A 1 c
ATOM 1331 H HZ1  . LYS Axp A    78  ? 39.786 90.502 28.556 1   98.31   ? 78  A 1 c
ATOM 1332 H HZ2  . LYS Axp A    78  ? 40.895 89.545 28.368 1   98.31   ? 78  A 1 c
ATOM 1333 H HZ3  . LYS Axp A    78  ? 41.117 90.793 29.125 1   98.31   ? 78  A 1 c
ATOM 1334 N N    . HIS Axp A    79  ? 39.265 89.034 35.983 1   60.91   ? 79  A 1 .
ATOM 1335 C CA   . HIS Axp A    79  ? 38.842 89.865 37.1   1   59.242  ? 79  A 1 .
ATOM 1336 C C    . HIS Axp A    79  ? 39.823 89.727 38.266 1   62.157  ? 79  A 1 .
ATOM 1337 O O    . HIS Axp A    79  ? 39.423 89.853 39.416 1   60.072  ? 79  A 1 .
ATOM 1338 C CB   . HIS Axp A    79  ? 37.438 89.462 37.577 1   55.946  ? 79  A 1 .
ATOM 1339 C CG   . HIS Axp A    79  ? 36.324 89.644 36.596 1   57.962  ? 79  A 1 .
ATOM 1340 N ND1  . HIS Axp A    79  ? 35.79  88.646 35.804 1   58.387  ? 79  A 1 .
ATOM 1341 C CD2  . HIS Axp A    79  ? 35.62  90.737 36.31  1   59.97   ? 79  A 1 .
ATOM 1342 C CE1  . HIS Axp A    79  ? 34.819 89.139 35.046 1   55.369  ? 79  A 1 .
ATOM 1343 N NE2  . HIS Axp A    79  ? 34.684 90.404 35.353 1   58.089  ? 79  A 1 .
ATOM 1344 H H    . HIS Axp A    79  ? 39.814 88.324 36.15  1   61.103  ? 79  A 1 c
ATOM 1345 H HA   . HIS Axp A    79  ? 38.833 90.81  36.809 1   59.513  ? 79  A 1 c
ATOM 1346 H HB3  . HIS Axp A    79  ? 37.225 89.978 38.385 1   57.199  ? 79  A 1 c
ATOM 1347 H HB2  . HIS Axp A    79  ? 37.464 88.518 37.842 1   57.221  ? 79  A 1 c
ATOM 1348 H HD1  . HIS Axp A    79  ? 35.922 87.811 35.894 0   51.34   ? 79  A 1 c
ATOM 1349 H HD2  . HIS Axp A    79  ? 35.732 91.586 36.689 1   59.026  ? 79  A 1 c
ATOM 1350 H HE1  . HIS Axp A    79  ? 34.299 88.659 34.424 1   56.709  ? 79  A 1 c
ATOM 1351 H HE2  . HIS Axp A    79  ? 34.152 91.099 35.148 0   50.73   ? 79  A 1 c
ATOM 1352 N N    . ASN Axp A    80  ? 41.093 89.413 37.985 1   69.492  ? 80  A 1 .
ATOM 1353 C CA   . ASN Axp A    80  ? 42.09  89.177 39.025 1   81.253  ? 80  A 1 .
ATOM 1354 C C    . ASN Axp A    80  ? 41.765 88.009 39.968 1   79.169  ? 80  A 1 .
ATOM 1355 O O    . ASN Axp A    80  ? 42.62  87.642 40.775 1   79.425  ? 80  A 1 .
ATOM 1356 C CB   . ASN Axp A    80  ? 42.327 90.406 39.897 1   88.609  ? 80  A 1 .
ATOM 1357 C CG   . ASN Axp A    80  ? 43.109 91.481 39.182 1   100.572 ? 80  A 1 .
ATOM 1358 O OD1  . ASN Axp A    80  ? 44.153 91.201 38.578 1   115.678 ? 80  A 1 .
ATOM 1359 N ND2  . ASN Axp A    80  ? 42.639 92.718 39.262 1   101.955 ? 80  A 1 .
ATOM 1360 H H    . ASN Axp A    80  ? 41.358 89.365 37.112 1   69.857  ? 80  A 1 c
ATOM 1361 H HA   . ASN Axp A    80  ? 42.941 88.969 38.578 1   79.983  ? 80  A 1 c
ATOM 1362 H HB3  . ASN Axp A    80  ? 42.82  90.141 40.7   1   89.277  ? 80  A 1 c
ATOM 1363 H HB2  . ASN Axp A    80  ? 41.468 90.773 40.183 1   89.114  ? 80  A 1 c
ATOM 1364 H HD21 . ASN Axp A    80  ? 42.655 93.244 38.548 1   101.527 ? 80  A 1 c
ATOM 1365 H HD22 . ASN Axp A    80  ? 42.309 93.017 40.029 1   101.527 ? 80  A 1 c
ATOM 1366 N N    . MET Axp A    81  ? 40.575 87.396 39.854 1   72.615  ? 81  A 1 .
ATOM 1367 C CA   . MET Axp A    81  ? 40.06  86.495 40.879 1   66.655  ? 81  A 1 .
ATOM 1368 C C    . MET Axp A    81  ? 40.764 85.14  40.862 1   65.171  ? 81  A 1 .
ATOM 1369 O O    . MET Axp A    81  ? 40.373 84.216 41.582 1   64.795  ? 81  A 1 .
ATOM 1370 C CB   . MET Axp A    81  ? 38.585 86.154 40.66  1   63.13   ? 81  A 1 .
ATOM 1371 C CG   . MET Axp A    81  ? 37.672 87.341 40.575 1   65.817  ? 81  A 1 .
ATOM 1372 S SD   . MET Axp A    81  ? 35.951 86.83  40.399 1   73.008  ? 81  A 1 .
ATOM 1373 C CE   . MET Axp A    81  ? 35.453 86.774 42.128 1   79.418  ? 81  A 1 .
ATOM 1374 H H    . MET Axp A    81  ? 40.084 87.514 39.093 1   72.442  ? 81  A 1 c
ATOM 1375 H HA   . MET Axp A    81  ? 40.182 86.917 41.767 1   66.897  ? 81  A 1 c
ATOM 1376 H HB3  . MET Axp A    81  ? 38.284 85.581 41.397 1   64.538  ? 81  A 1 c
ATOM 1377 H HB2  . MET Axp A    81  ? 38.505 85.636 39.83  1   64.536  ? 81  A 1 c
ATOM 1378 H HG3  . MET Axp A    81  ? 37.92  87.89  39.811 1   66.339  ? 81  A 1 c
ATOM 1379 H HG2  . MET Axp A    81  ? 37.763 87.883 41.384 1   66.425  ? 81  A 1 c
ATOM 1380 H HE3  . MET Axp A    81  ? 35.229 87.673 42.431 1   77.771  ? 81  A 1 c
ATOM 1381 H HE2  . MET Axp A    81  ? 36.188 86.424 42.666 1   77.771  ? 81  A 1 c
ATOM 1382 H HE1  . MET Axp A    81  ? 34.675 86.194 42.224 1   77.771  ? 81  A 1 c
ATOM 1383 N N    . LEU Axp A    82  ? 41.778 84.981 40.02  1   57.599  ? 82  A 1 .
ATOM 1384 C CA   . LEU Axp A    82  ? 42.366 83.665 39.93  1   57.476  ? 82  A 1 .
ATOM 1385 C C    . LEU Axp A    82  ? 43.486 83.511 40.957 1   55.444  ? 82  A 1 .
ATOM 1386 O O    . LEU Axp A    82  ? 43.731 82.434 41.501 1   50.541  ? 82  A 1 .
ATOM 1387 C CB   . LEU Axp A    82  ? 42.829 83.461 38.497 1   59.249  ? 82  A 1 .
ATOM 1388 C CG   . LEU Axp A    82  ? 42.594 82.049 37.965 1   61.788  ? 82  A 1 .
ATOM 1389 C CD1  . LEU Axp A    82  ? 43.205 81.968 36.581 1   68.756  ? 82  A 1 .
ATOM 1390 C CD2  . LEU Axp A    82  ? 43.164 80.994 38.895 1   64.414  ? 82  A 1 .
ATOM 1391 H H    . LEU Axp A    82  ? 42.102 85.666 39.51  1   59.567  ? 82  A 1 c
ATOM 1392 H HA   . LEU Axp A    82  ? 41.665 82.997 40.135 1   57.619  ? 82  A 1 c
ATOM 1393 H HB3  . LEU Axp A    82  ? 43.793 83.66  38.449 1   59.458  ? 82  A 1 c
ATOM 1394 H HB2  . LEU Axp A    82  ? 42.349 84.097 37.918 1   59.346  ? 82  A 1 c
ATOM 1395 H HG   . LEU Axp A    82  ? 41.616 81.903 37.886 1   63.031  ? 82  A 1 c
ATOM 1396 H HD11 . LEU Axp A    82  ? 42.696 82.524 35.97  1   66.228  ? 82  A 1 c
ATOM 1397 H HD12 . LEU Axp A    82  ? 43.185 81.047 36.271 1   66.49   ? 82  A 1 c
ATOM 1398 H HD13 . LEU Axp A    82  ? 44.125 82.279 36.611 1   66.428  ? 82  A 1 c
ATOM 1399 H HD21 . LEU Axp A    82  ? 42.584 80.891 39.667 1   63.626  ? 82  A 1 c
ATOM 1400 H HD22 . LEU Axp A    82  ? 44.05  81.264 39.187 1   63.611  ? 82  A 1 c
ATOM 1401 H HD23 . LEU Axp A    82  ? 43.226 80.148 38.423 1   64.39   ? 82  A 1 c
ATOM 1402 N N    . GLY Axp A    83  ? 44.215 84.585 41.221 1   60.69   ? 83  A 1 .
ATOM 1403 C CA   . GLY Axp A    83  ? 45.288 84.452 42.186 1   66.128  ? 83  A 1 .
ATOM 1404 C C    . GLY Axp A    83  ? 46.091 85.728 42.381 1   70.143  ? 83  A 1 .
ATOM 1405 O O    . GLY Axp A    83  ? 45.629 86.825 42.079 1   84.209  ? 83  A 1 .
ATOM 1406 H H    . GLY Axp A    83  ? 44.062 85.386 40.808 1   60.552  ? 83  A 1 c
ATOM 1407 H HA3  . GLY Axp A    83  ? 45.889 83.742 41.894 1   65.305  ? 83  A 1 c
ATOM 1408 H HA2  . GLY Axp A    83  ? 44.903 84.179 43.052 1   65.437  ? 83  A 1 c
ATOM 1409 N N    . GLY Axp A    84  ? 47.252 85.543 43.008 1   66.673  ? 84  A 1 .
ATOM 1410 C CA   . GLY Axp A    84  ? 48.294 86.545 43.086 1   69.401  ? 84  A 1 .
ATOM 1411 C C    . GLY Axp A    84  ? 49.598 85.965 42.556 1   68.647  ? 84  A 1 .
ATOM 1412 O O    . GLY Axp A    84  ? 50.364 86.621 41.859 1   77.763  ? 84  A 1 .
ATOM 1413 H H    . GLY Axp A    84  ? 47.383 84.748 43.439 1   67.997  ? 84  A 1 c
ATOM 1414 H HA3  . GLY Axp A    84  ? 48.408 86.827 44.024 1   68.591  ? 84  A 1 c
ATOM 1415 H HA2  . GLY Axp A    84  ? 48.037 87.335 42.554 1   68.666  ? 84  A 1 c
ATOM 1416 N N    . CYS Axp A    85  ? 49.831 84.701 42.877 1   63.651  ? 85  A 1 .
ATOM 1417 C CA   . CYS Axp A    85  ? 51.131 84.113 42.67  1   62.962  ? 85  A 1 .
ATOM 1418 C C    . CYS Axp A    85  ? 51.026 82.601 42.78  1   65.011  ? 85  A 1 .
ATOM 1419 O O    . CYS Axp A    85  ? 50.086 82.071 43.357 1   71.866  ? 85  A 1 .
ATOM 1420 C CB   . CYS Axp A    85  ? 52.087 84.577 43.752 1   68.633  ? 85  A 1 .
ATOM 1421 S SG   . CYS Axp A    85  ? 51.556 84.054 45.402 1   73.776  ? 85  A 1 .
ATOM 1422 H H    . CYS Axp A    85  ? 49.169 84.189 43.243 1   64.728  ? 85  A 1 c
ATOM 1423 H HA   . CYS Axp A    85  ? 51.455 84.357 41.767 1   64.57   ? 85  A 1 c
ATOM 1424 H HB3  . CYS Axp A    85  ? 52.147 85.558 43.736 1   68.156  ? 85  A 1 c
ATOM 1425 H HB2  . CYS Axp A    85  ? 52.983 84.213 43.58  1   68.141  ? 85  A 1 c
ATOM 1426 H HG   . CYS Axp A    85  ? 52.701 84.588 46.134 0   56.02   ? 85  A 1 c
ATOM 1427 N N    . PRO Axp A    86  ? 52.004 81.86  42.234 1   64.776  ? 86  A 1 .
ATOM 1428 C CA   . PRO Axp A    86  ? 51.97  80.412 42.241 1   67.196  ? 86  A 1 .
ATOM 1429 C C    . PRO Axp A    86  ? 51.299 79.819 43.467 1   71.619  ? 86  A 1 .
ATOM 1430 O O    . PRO Axp A    86  ? 50.443 78.957 43.321 1   91.517  ? 86  A 1 .
ATOM 1431 C CB   . PRO Axp A    86  ? 53.441 80.064 42.139 1   68.476  ? 86  A 1 .
ATOM 1432 C CG   . PRO Axp A    86  ? 53.882 81.116 41.131 1   68.21   ? 86  A 1 .
ATOM 1433 C CD   . PRO Axp A    86  ? 53.207 82.375 41.571 1   66.925  ? 86  A 1 .
ATOM 1434 H HA   . PRO Axp A    86  ? 51.507 80.097 41.437 1   67.854  ? 86  A 1 c
ATOM 1435 H HB3  . PRO Axp A    86  ? 53.573 79.159 41.795 1   68.126  ? 86  A 1 c
ATOM 1436 H HB2  . PRO Axp A    86  ? 53.896 80.174 42.996 1   68.126  ? 86  A 1 c
ATOM 1437 H HG3  . PRO Axp A    86  ? 53.602 80.872 40.228 1   67.959  ? 86  A 1 c
ATOM 1438 H HG2  . PRO Axp A    86  ? 54.853 81.225 41.142 1   67.971  ? 86  A 1 c
ATOM 1439 H HD3  . PRO Axp A    86  ? 53.764 82.876 42.196 1   66.679  ? 86  A 1 c
ATOM 1440 H HD2  . PRO Axp A    86  ? 52.976 82.944 40.813 1   66.468  ? 86  A 1 c
ATOM 1441 N N    . LYS Axp A    87  ? 51.681 80.278 44.662 1   65.64   ? 87  A 1 .
ATOM 1442 C CA   . LYS Axp A    87  ? 51.24  79.618 45.879 1   67.841  ? 87  A 1 .
ATOM 1443 C C    . LYS Axp A    87  ? 49.722 79.722 46.046 1   68.538  ? 87  A 1 .
ATOM 1444 O O    . LYS Axp A    87  ? 49.064 78.73  46.341 1   64.354  ? 87  A 1 .
ATOM 1445 C CB   . LYS Axp A    87  ? 52.039 80.181 47.051 1   76.559  ? 87  A 1 .
ATOM 1446 C CG   . LYS Axp A    87  ? 51.479 79.85  48.423 1   93.071  ? 87  A 1 .
ATOM 1447 C CD   . LYS Axp A    87  ? 52.536 79.999 49.522 1   105.706 ? 87  A 1 .
ATOM 1448 C CE   . LYS Axp A    87  ? 51.984 80.124 50.913 1   108.24  ? 87  A 1 .
ATOM 1449 N NZ   . LYS Axp A    87  ? 50.939 79.135 51.184 1   117.406 ? 87  A 1 .
ATOM 1450 H H    . LYS Axp A    87  ? 52.232 81.005 44.721 1   67.624  ? 87  A 1 c
ATOM 1451 H HA   . LYS Axp A    87  ? 51.47  78.657 45.8   1   69.141  ? 87  A 1 c
ATOM 1452 H HB3  . LYS Axp A    87  ? 52.082 81.157 46.963 1   77.783  ? 87  A 1 c
ATOM 1453 H HB2  . LYS Axp A    87  ? 52.956 79.837 46.999 1   78.015  ? 87  A 1 c
ATOM 1454 H HG3  . LYS Axp A    87  ? 51.137 78.932 48.417 1   91.435  ? 87  A 1 c
ATOM 1455 H HG2  . LYS Axp A    87  ? 50.729 80.455 48.614 1   91.438  ? 87  A 1 c
ATOM 1456 H HD3  . LYS Axp A    87  ? 53.074 80.796 49.325 1   103.092 ? 87  A 1 c
ATOM 1457 H HD2  . LYS Axp A    87  ? 53.14  79.228 49.489 1   103.24  ? 87  A 1 c
ATOM 1458 H HE3  . LYS Axp A    87  ? 51.613 81.017 51.034 1   109.752 ? 87  A 1 c
ATOM 1459 H HE2  . LYS Axp A    87  ? 52.704 80.007 51.558 1   109.752 ? 87  A 1 c
ATOM 1460 H HZ1  . LYS Axp A    87  ? 51.173 78.33  50.842 1   114.313 ? 87  A 1 c
ATOM 1461 H HZ2  . LYS Axp A    87  ? 50.156 79.402 50.813 1   114.348 ? 87  A 1 c
ATOM 1462 H HZ3  . LYS Axp A    87  ? 50.826 79.052 52.079 1   114.439 ? 87  A 1 c
ATOM 1463 N N    . GLU Axp A    88  ? 49.167 80.921 45.834 1   79.277  ? 88  A 1 .
ATOM 1464 C CA   . GLU Axp A    88  ? 47.737 81.173 46.001 1   78.094  ? 88  A 1 .
ATOM 1465 C C    . GLU Axp A    88  ? 46.941 80.457 44.909 1   72.894  ? 88  A 1 .
ATOM 1466 O O    . GLU Axp A    88  ? 45.962 79.78  45.221 1   82.286  ? 88  A 1 .
ATOM 1467 C CB   . GLU Axp A    88  ? 47.368 82.664 46.045 1   80.258  ? 88  A 1 .
ATOM 1468 C CG   . GLU Axp A    88  ? 45.859 82.916 45.96  1   87.978  ? 88  A 1 .
ATOM 1469 C CD   . GLU Axp A    88  ? 45.251 84.224 46.479 1   87.622  ? 88  A 1 .
ATOM 1470 O OE1  . GLU Axp A    88  ? 45.743 85.344 46.153 1   79.373  ? 88  A 1 .
ATOM 1471 O OE2  . GLU Axp A    88  ? 44.208 84.095 47.197 1   66.761  ? 88  A 1 .
ATOM 1472 H H    . GLU Axp A    88  ? 49.702 81.616 45.578 1   76.175  ? 88  A 1 c
ATOM 1473 H HA   . GLU Axp A    88  ? 47.467 80.785 46.872 1   77.63   ? 88  A 1 c
ATOM 1474 H HB3  . GLU Axp A    88  ? 47.811 83.121 45.3   1   81.442  ? 88  A 1 c
ATOM 1475 H HB2  . GLU Axp A    88  ? 47.71  83.05  46.879 1   81.442  ? 88  A 1 c
ATOM 1476 H HG3  . GLU Axp A    88  ? 45.408 82.183 46.431 1   85.803  ? 88  A 1 c
ATOM 1477 H HG2  . GLU Axp A    88  ? 45.595 82.832 45.019 1   85.952  ? 88  A 1 c
ATOM 1478 N N    . ARG Axp A    89  ? 47.359 80.608 43.643 1   61.221  ? 89  A 1 .
ATOM 1479 C CA   . ARG Axp A    89  ? 46.61  80.055 42.522 1   59.582  ? 89  A 1 .
ATOM 1480 C C    . ARG Axp A    89  ? 46.552 78.528 42.58  1   55.513  ? 89  A 1 .
ATOM 1481 O O    . ARG Axp A    89  ? 45.549 77.922 42.21  1   51.729  ? 89  A 1 .
ATOM 1482 C CB   . ARG Axp A    89  ? 47.208 80.455 41.175 1   57.426  ? 89  A 1 .
ATOM 1483 C CG   . ARG Axp A    89  ? 46.704 81.808 40.708 1   57.979  ? 89  A 1 .
ATOM 1484 C CD   . ARG Axp A    89  ? 47.382 82.197 39.43  1   54.836  ? 89  A 1 .
ATOM 1485 N NE   . ARG Axp A    89  ? 48.824 82.266 39.668 1   53.239  ? 89  A 1 .
ATOM 1486 C CZ   . ARG Axp A    89  ? 49.671 82.782 38.816 1   54.306  ? 89  A 1 .
ATOM 1487 N NH1  . ARG Axp A    89  ? 49.224 83.261 37.677 1   59.873  ? 89  A 1 .
ATOM 1488 N NH2  . ARG Axp A    89  ? 50.951 82.835 39.096 1   51.589  ? 89  A 1 .
ATOM 1489 H H    . ARG Axp A    89  ? 48.128 81.072 43.475 1   63.533  ? 89  A 1 c
ATOM 1490 H HA   . ARG Axp A    89  ? 45.684 80.404 42.57  1   58.728  ? 89  A 1 c
ATOM 1491 H HB3  . ARG Axp A    89  ? 46.976 79.778 40.504 1   58.012  ? 89  A 1 c
ATOM 1492 H HB2  . ARG Axp A    89  ? 48.184 80.479 41.255 1   58      ? 89  A 1 c
ATOM 1493 H HG3  . ARG Axp A    89  ? 46.903 82.477 41.394 1   57.233  ? 89  A 1 c
ATOM 1494 H HG2  . ARG Axp A    89  ? 45.736 81.768 40.565 1   57.174  ? 89  A 1 c
ATOM 1495 H HD3  . ARG Axp A    89  ? 47.056 83.071 39.13  1   55.17   ? 89  A 1 c
ATOM 1496 H HD2  . ARG Axp A    89  ? 47.195 81.537 38.732 1   55.152  ? 89  A 1 c
ATOM 1497 H HE   . ARG Axp A    89  ? 49.144 81.97  40.42  1   53.919  ? 89  A 1 c
ATOM 1498 H HH11 . ARG Axp A    89  ? 48.987 82.706 37.031 1   58.101  ? 89  A 1 c
ATOM 1499 H HH12 . ARG Axp A    89  ? 49.162 84.135 37.562 1   58.101  ? 89  A 1 c
ATOM 1500 H HH21 . ARG Axp A    89  ? 51.308 82.218 39.612 1   52.698  ? 89  A 1 c
ATOM 1501 H HH22 . ARG Axp A    89  ? 51.448 83.487 38.766 1   52.526  ? 89  A 1 c
ATOM 1502 N N    . ALA Axp A    90  ? 47.628 77.9   43.048 1   52.067  ? 90  A 1 .
ATOM 1503 C CA   . ALA Axp A    90  ? 47.62  76.464 43.229 1   49.971  ? 90  A 1 .
ATOM 1504 C C    . ALA Axp A    90  ? 46.69  76.108 44.386 1   51.249  ? 90  A 1 .
ATOM 1505 O O    . ALA Axp A    90  ? 46.306 74.955 44.542 1   59.704  ? 90  A 1 .
ATOM 1506 C CB   . ALA Axp A    90  ? 49.033 75.97  43.452 1   47.883  ? 90  A 1 .
ATOM 1507 H H    . ALA Axp A    90  ? 48.383 78.372 43.252 1   52.449  ? 90  A 1 c
ATOM 1508 H HA   . ALA Axp A    90  ? 47.258 76.046 42.399 1   50.247  ? 90  A 1 c
ATOM 1509 H HB3  . ALA Axp A    90  ? 49.033 75     43.523 1   48.493  ? 90  A 1 c
ATOM 1510 H HB2  . ALA Axp A    90  ? 49.388 76.352 44.272 1   48.493  ? 90  A 1 c
ATOM 1511 H HB1  . ALA Axp A    90  ? 49.595 76.236 42.705 1   48.494  ? 90  A 1 c
ATOM 1512 N N    . GLU Axp A    91  ? 46.335 77.092 45.215 1   54.178  ? 91  A 1 .
ATOM 1513 C CA   . GLU Axp A    91  ? 45.482 76.848 46.369 1   58.168  ? 91  A 1 .
ATOM 1514 C C    . GLU Axp A    91  ? 44.021 76.769 45.918 1   52.243  ? 91  A 1 .
ATOM 1515 O O    . GLU Axp A    91  ? 43.243 75.957 46.419 1   55.276  ? 91  A 1 .
ATOM 1516 C CB   . GLU Axp A    91  ? 45.709 77.909 47.452 1   62.46   ? 91  A 1 .
ATOM 1517 C CG   . GLU Axp A    91  ? 45.128 77.513 48.807 1   67.281  ? 91  A 1 .
ATOM 1518 C CD   . GLU Axp A    91  ? 45.542 78.431 49.94  1   73.413  ? 91  A 1 .
ATOM 1519 O OE1  . GLU Axp A    91  ? 45.297 79.63  49.755 1   81.7    ? 91  A 1 .
ATOM 1520 O OE2  . GLU Axp A    91  ? 46.096 77.991 50.975 1   77.788  ? 91  A 1 .
ATOM 1521 H H    . GLU Axp A    91  ? 46.652 77.936 45.078 1   54.444  ? 91  A 1 c
ATOM 1522 H HA   . GLU Axp A    91  ? 45.732 75.97  46.755 1   57.036  ? 91  A 1 c
ATOM 1523 H HB3  . GLU Axp A    91  ? 45.287 78.746 47.17  1   62.637  ? 91  A 1 c
ATOM 1524 H HB2  . GLU Axp A    91  ? 46.671 78.072 47.542 1   62.53   ? 91  A 1 c
ATOM 1525 H HG3  . GLU Axp A    91  ? 45.415 76.6   49.025 1   67.411  ? 91  A 1 c
ATOM 1526 H HG2  . GLU Axp A    91  ? 44.149 77.511 48.749 1   67.41   ? 91  A 1 c
ATOM 1527 N N    . ILE Axp A    92  ? 43.651 77.651 44.994 1   45.193  ? 92  A 1 .
ATOM 1528 C CA   . ILE Axp A    92  ? 42.313 77.677 44.448 1   43.302  ? 92  A 1 .
ATOM 1529 C C    . ILE Axp A    92  ? 42.121 76.426 43.609 1   42.153  ? 92  A 1 .
ATOM 1530 O O    . ILE Axp A    92  ? 41.053 75.83  43.633 1   45.703  ? 92  A 1 .
ATOM 1531 C CB   . ILE Axp A    92  ? 42.112 78.967 43.643 1   43.879  ? 92  A 1 .
ATOM 1532 C CG1  . ILE Axp A    92  ? 42.253 80.158 44.574 1   46.199  ? 92  A 1 .
ATOM 1533 C CG2  . ILE Axp A    92  ? 40.776 78.972 42.894 1   45.314  ? 92  A 1 .
ATOM 1534 C CD1  . ILE Axp A    92  ? 41.92  81.481 43.922 1   51.71   ? 92  A 1 .
ATOM 1535 H H    . ILE Axp A    92  ? 44.263 78.257 44.686 1   46.425  ? 92  A 1 c
ATOM 1536 H HA   . ILE Axp A    92  ? 41.673 77.665 45.184 1   43.725  ? 92  A 1 c
ATOM 1537 H HB   . ILE Axp A    92  ? 42.828 79.02  42.979 1   44.475  ? 92  A 1 c
ATOM 1538 H HG12 . ILE Axp A    92  ? 43.173 80.196 44.905 1   46.84   ? 92  A 1 c
ATOM 1539 H HG13 . ILE Axp A    92  ? 41.662 80.029 45.343 1   46.815  ? 92  A 1 c
ATOM 1540 H HG21 . ILE Axp A    92  ? 40.917 79.28  41.984 1   44.926  ? 92  A 1 c
ATOM 1541 H HG22 . ILE Axp A    92  ? 40.153 79.569 43.341 1   44.98   ? 92  A 1 c
ATOM 1542 H HG23 . ILE Axp A    92  ? 40.402 78.077 42.874 1   44.91   ? 92  A 1 c
ATOM 1543 H HD11 . ILE Axp A    92  ? 41.951 81.391 42.951 1   49.952  ? 92  A 1 c
ATOM 1544 H HD12 . ILE Axp A    92  ? 42.567 82.154 44.205 1   49.996  ? 92  A 1 c
ATOM 1545 H HD13 . ILE Axp A    92  ? 41.025 81.759 44.192 1   49.996  ? 92  A 1 c
ATOM 1546 N N    . SER Axp A    93  ? 43.167 76.054 42.871 1   41.914  ? 93  A 1 .
ATOM 1547 C CA   . SER Axp A    93  ? 43.133 74.854 42.056 1   42.092  ? 93  A 1 .
ATOM 1548 C C    . SER Axp A    93  ? 42.772 73.684 42.962 1   41.718  ? 93  A 1 .
ATOM 1549 O O    . SER Axp A    93  ? 41.85  72.913 42.705 1   46.15   ? 93  A 1 .
ATOM 1550 C CB   . SER Axp A    93  ? 44.471 74.614 41.37  1   46.622  ? 93  A 1 .
ATOM 1551 O OG   . SER Axp A    93  ? 44.965 75.713 40.604 1   48.149  ? 93  A 1 .
ATOM 1552 H H    . SER Axp A    93  ? 43.923 76.568 42.865 1   42.072  ? 93  A 1 c
ATOM 1553 H HA   . SER Axp A    93  ? 42.428 74.956 41.368 1   42.78   ? 93  A 1 c
ATOM 1554 H HB3  . SER Axp A    93  ? 44.385 73.838 40.784 1   45.895  ? 93  A 1 c
ATOM 1555 H HB2  . SER Axp A    93  ? 45.133 74.389 42.049 1   45.836  ? 93  A 1 c
ATOM 1556 H HG   . SER Axp A    93  ? 45.548 75.566 40.206 0   33.15   ? 93  A 1 c
ATOM 1557 N N    . MET Axp A    94  ? 43.517 73.592 44.062 1   41.681  ? 94  A 1 .
ATOM 1558 C CA   . MET Axp A    94  ? 43.293 72.556 45.054 1   45.374  ? 94  A 1 .
ATOM 1559 C C    . MET Axp A    94  ? 41.834 72.605 45.519 1   39.84   ? 94  A 1 .
ATOM 1560 O O    . MET Axp A    94  ? 41.136 71.606 45.447 1   38.218  ? 94  A 1 .
ATOM 1561 C CB   . MET Axp A    94  ? 44.282 72.69  46.224 1   51.982  ? 94  A 1 .
ATOM 1562 C CG   . MET Axp A    94  ? 44.075 71.686 47.362 1   54.587  ? 94  A 1 .
ATOM 1563 S SD   . MET Axp A    94  ? 45.169 71.905 48.782 1   52.243  ? 94  A 1 .
ATOM 1564 C CE   . MET Axp A    94  ? 45.033 73.687 48.984 1   53.382  ? 94  A 1 .
ATOM 1565 H H    . MET Axp A    94  ? 44.192 74.193 44.2   1   42.593  ? 94  A 1 c
ATOM 1566 H HA   . MET Axp A    94  ? 43.44  71.682 44.611 1   44.62   ? 94  A 1 c
ATOM 1567 H HB3  . MET Axp A    94  ? 44.207 73.598 46.584 1   51.024  ? 94  A 1 c
ATOM 1568 H HB2  . MET Axp A    94  ? 45.192 72.585 45.873 1   50.976  ? 94  A 1 c
ATOM 1569 H HG3  . MET Axp A    94  ? 44.205 70.782 47.012 1   53.488  ? 94  A 1 c
ATOM 1570 H HG2  . MET Axp A    94  ? 43.152 71.749 47.677 1   53.419  ? 94  A 1 c
ATOM 1571 H HE3  . MET Axp A    94  ? 44.108 73.961 48.845 1   53.074  ? 94  A 1 c
ATOM 1572 H HE2  . MET Axp A    94  ? 45.609 74.133 48.336 1   53.07   ? 94  A 1 c
ATOM 1573 H HE1  . MET Axp A    94  ? 45.31  73.933 49.886 1   53.086  ? 94  A 1 c
ATOM 1574 N N    . LEU Axp A    95  ? 41.356 73.761 45.969 1   37.927  ? 95  A 1 .
ATOM 1575 C CA   . LEU Axp A    95  ? 39.949 73.907 46.315 1   40.067  ? 95  A 1 .
ATOM 1576 C C    . LEU Axp A    95  ? 39.036 73.485 45.165 1   40.244  ? 95  A 1 .
ATOM 1577 O O    . LEU Axp A    95  ? 38.016 72.838 45.367 1   42.417  ? 95  A 1 .
ATOM 1578 C CB   . LEU Axp A    95  ? 39.701 75.365 46.666 1   41.921  ? 95  A 1 .
ATOM 1579 C CG   . LEU Axp A    95  ? 40.234 75.821 48.023 1   45.028  ? 95  A 1 .
ATOM 1580 C CD1  . LEU Axp A    95  ? 40.698 77.243 47.836 1   50.05   ? 95  A 1 .
ATOM 1581 C CD2  . LEU Axp A    95  ? 39.2   75.733 49.138 1   45.438  ? 95  A 1 .
ATOM 1582 H H    . LEU Axp A    95  ? 41.917 74.476 46.068 1   38.952  ? 95  A 1 c
ATOM 1583 H HA   . LEU Axp A    95  ? 39.758 73.341 47.105 1   40.002  ? 95  A 1 c
ATOM 1584 H HB3  . LEU Axp A    95  ? 38.729 75.525 46.644 1   42.215  ? 95  A 1 c
ATOM 1585 H HB2  . LEU Axp A    95  ? 40.108 75.923 45.965 1   42.267  ? 95  A 1 c
ATOM 1586 H HG   . LEU Axp A    95  ? 41.015 75.258 48.264 1   45.373  ? 95  A 1 c
ATOM 1587 H HD11 . LEU Axp A    95  ? 41.531 77.252 47.34  1   48.446  ? 95  A 1 c
ATOM 1588 H HD12 . LEU Axp A    95  ? 40.838 77.656 48.705 1   48.432  ? 95  A 1 c
ATOM 1589 H HD13 . LEU Axp A    95  ? 40.025 77.745 47.346 1   48.394  ? 95  A 1 c
ATOM 1590 H HD21 . LEU Axp A    95  ? 38.984 74.801 49.309 1   45.409  ? 95  A 1 c
ATOM 1591 H HD22 . LEU Axp A    95  ? 38.399 76.206 48.87  1   45.688  ? 95  A 1 c
ATOM 1592 H HD23 . LEU Axp A    95  ? 39.558 76.136 49.947 1   45.425  ? 95  A 1 c
ATOM 1593 N N    . GLU Axp A    96  ? 39.404 73.902 43.96  1   42.788  ? 96  A 1 .
ATOM 1594 C CA   . GLU Axp A    96  ? 38.699 73.552 42.742 1   45.982  ? 96  A 1 .
ATOM 1595 C C    . GLU Axp A    96  ? 38.548 72.036 42.645 1   43.344  ? 96  A 1 .
ATOM 1596 O O    . GLU Axp A    96  ? 37.454 71.485 42.782 1   42.622  ? 96  A 1 .
ATOM 1597 C CB   . GLU Axp A    96  ? 39.545 74.144 41.611 1   51.784  ? 96  A 1 .
ATOM 1598 C CG   . GLU Axp A    96  ? 38.837 74.352 40.281 1   51.439  ? 96  A 1 .
ATOM 1599 C CD   . GLU Axp A    96  ? 39.752 75.166 39.383 1   50.055  ? 96  A 1 .
ATOM 1600 O OE1  . GLU Axp A    96  ? 40.775 74.543 38.995 1   47.113  ? 96  A 1 .
ATOM 1601 O OE2  . GLU Axp A    96  ? 39.475 76.378 39.103 1   41.95   ? 96  A 1 .
ATOM 1602 H H    . GLU Axp A    96  ? 40.137 74.443 43.896 1   42.924  ? 96  A 1 c
ATOM 1603 H HA   . GLU Axp A    96  ? 37.802 73.974 42.758 1   45.823  ? 96  A 1 c
ATOM 1604 H HB3  . GLU Axp A    96  ? 40.312 73.566 41.445 1   50.057  ? 96  A 1 c
ATOM 1605 H HB2  . GLU Axp A    96  ? 39.885 75.016 41.893 1   50.135  ? 96  A 1 c
ATOM 1606 H HG3  . GLU Axp A    96  ? 37.996 74.836 40.419 1   51.142  ? 96  A 1 c
ATOM 1607 H HG2  . GLU Axp A    96  ? 38.65  73.485 39.863 1   51.152  ? 96  A 1 c
ATOM 1608 N N    . GLY Axp A    97  ? 39.675 71.357 42.43  1   41.863  ? 97  A 1 .
ATOM 1609 C CA   . GLY Axp A    97  ? 39.644 69.927 42.193 1   44.241  ? 97  A 1 .
ATOM 1610 C C    . GLY Axp A    97  ? 39.11  69.168 43.406 1   42.591  ? 97  A 1 .
ATOM 1611 O O    . GLY Axp A    97  ? 38.806 67.986 43.286 1   43.514  ? 97  A 1 .
ATOM 1612 H H    . GLY Axp A    97  ? 40.482 71.784 42.455 1   42.88   ? 97  A 1 c
ATOM 1613 H HA3  . GLY Axp A    97  ? 40.555 69.616 41.983 1   43.289  ? 97  A 1 c
ATOM 1614 H HA2  . GLY Axp A    97  ? 39.074 69.743 41.412 1   43.263  ? 97  A 1 c
ATOM 1615 N N    . ALA Axp A    98  ? 39.011 69.857 44.556 1   41.486  ? 98  A 1 .
ATOM 1616 C CA   . ALA Axp A    98  ? 38.46  69.27  45.776 1   40.165  ? 98  A 1 .
ATOM 1617 C C    . ALA Axp A    98  ? 36.938 69.174 45.714 1   37.601  ? 98  A 1 .
ATOM 1618 O O    . ALA Axp A    98  ? 36.355 68.142 46.063 1   33.145  ? 98  A 1 .
ATOM 1619 C CB   . ALA Axp A    98  ? 38.866 70.081 46.988 1   41.058  ? 98  A 1 .
ATOM 1620 H H    . ALA Axp A    98  ? 39.326 70.714 44.593 1   41.464  ? 98  A 1 c
ATOM 1621 H HA   . ALA Axp A    98  ? 38.825 68.347 45.868 1   40.124  ? 98  A 1 c
ATOM 1622 H HB3  . ALA Axp A    98  ? 38.421 69.731 47.779 1   40.772  ? 98  A 1 c
ATOM 1623 H HB2  . ALA Axp A    98  ? 38.611 71.009 46.863 1   40.798  ? 98  A 1 c
ATOM 1624 H HB1  . ALA Axp A    98  ? 39.828 70.025 47.111 1   40.776  ? 98  A 1 c
ATOM 1625 N N    . VAL Axp A    99  ? 36.324 70.288 45.304 1   36.396  ? 99  A 1 .
ATOM 1626 C CA   . VAL Axp A    99  ? 34.899 70.327 45.062 1   39.787  ? 99  A 1 .
ATOM 1627 C C    . VAL Axp A    99  ? 34.556 69.313 43.97  1   44.166  ? 99  A 1 .
ATOM 1628 O O    . VAL Axp A    99  ? 33.482 68.712 43.975 1   42.02   ? 99  A 1 .
ATOM 1629 C CB   . VAL Axp A    99  ? 34.504 71.765 44.683 1   38.416  ? 99  A 1 .
ATOM 1630 C CG1  . VAL Axp A    99  ? 33.058 71.902 44.234 1   39.406  ? 99  A 1 .
ATOM 1631 C CG2  . VAL Axp A    99  ? 34.774 72.699 45.839 1   39.184  ? 99  A 1 .
ATOM 1632 H H    . VAL Axp A    99  ? 36.818 71.044 45.162 1   37.511  ? 99  A 1 c
ATOM 1633 H HA   . VAL Axp A    99  ? 34.434 70.077 45.884 1   39.604  ? 99  A 1 c
ATOM 1634 H HB   . VAL Axp A    99  ? 35.081 72.037 43.932 1   39.002  ? 99  A 1 c
ATOM 1635 H HG11 . VAL Axp A    99  ? 32.504 71.271 44.725 1   39.143  ? 99  A 1 c
ATOM 1636 H HG12 . VAL Axp A    99  ? 32.994 71.715 43.282 1   39.14   ? 99  A 1 c
ATOM 1637 H HG13 . VAL Axp A    99  ? 32.748 72.805 44.407 1   39.128  ? 99  A 1 c
ATOM 1638 H HG21 . VAL Axp A    99  ? 34.586 73.614 45.568 1   38.973  ? 99  A 1 c
ATOM 1639 H HG22 . VAL Axp A    99  ? 35.702 72.63  46.11  1   39.009  ? 99  A 1 c
ATOM 1640 H HG23 . VAL Axp A    99  ? 34.202 72.462 46.587 1   38.993  ? 99  A 1 c
ATOM 1641 N N    . LEU Axp A    100 ? 35.479 69.131 43.024 1   42.922  ? 100 A 1 .
ATOM 1642 C CA   . LEU Axp A    100 ? 35.217 68.249 41.91  1   41.214  ? 100 A 1 .
ATOM 1643 C C    . LEU Axp A    100 ? 35.027 66.833 42.397 1   41.484  ? 100 A 1 .
ATOM 1644 O O    . LEU Axp A    100 ? 34.012 66.24  42.08  1   40.716  ? 100 A 1 .
ATOM 1645 C CB   . LEU Axp A    100 ? 36.3   68.379 40.857 1   39.229  ? 100 A 1 .
ATOM 1646 C CG   . LEU Axp A    100 ? 35.981 69.557 39.942 1   40.836  ? 100 A 1 .
ATOM 1647 C CD1  . LEU Axp A    100 ? 37.049 69.905 38.974 1   42.914  ? 100 A 1 .
ATOM 1648 C CD2  . LEU Axp A    100 ? 34.681 69.257 39.206 1   41.191  ? 100 A 1 .
ATOM 1649 H H    . LEU Axp A    100 ? 36.275 69.579 43.061 1   42.667  ? 100 A 1 c
ATOM 1650 H HA   . LEU Axp A    100 ? 34.357 68.534 41.512 1   41.227  ? 100 A 1 c
ATOM 1651 H HB3  . LEU Axp A    100 ? 36.33  67.552 40.323 1   40.068  ? 100 A 1 c
ATOM 1652 H HB2  . LEU Axp A    100 ? 37.163 68.537 41.301 1   40.124  ? 100 A 1 c
ATOM 1653 H HG   . LEU Axp A    100 ? 35.825 70.353 40.514 1   40.99   ? 100 A 1 c
ATOM 1654 H HD11 . LEU Axp A    100 ? 37.887 70.037 39.447 1   42.28   ? 100 A 1 c
ATOM 1655 H HD12 . LEU Axp A    100 ? 36.811 70.724 38.507 1   42.269  ? 100 A 1 c
ATOM 1656 H HD13 . LEU Axp A    100 ? 37.152 69.184 38.33  1   42.275  ? 100 A 1 c
ATOM 1657 H HD21 . LEU Axp A    100 ? 33.94  69.683 39.669 1   41.088  ? 100 A 1 c
ATOM 1658 H HD22 . LEU Axp A    100 ? 34.533 68.297 39.176 1   41.073  ? 100 A 1 c
ATOM 1659 H HD23 . LEU Axp A    100 ? 34.733 69.602 38.299 1   41.102  ? 100 A 1 c
ATOM 1660 N N    . ASP Axp A    101 ? 35.952 66.357 43.221 1   44.726  ? 101 A 1 .
ATOM 1661 C CA   . ASP Axp A    101 ? 35.843 65.028 43.792 1   48.502  ? 101 A 1 .
ATOM 1662 C C    . ASP Axp A    101 ? 34.41  64.712 44.214 1   46.096  ? 101 A 1 .
ATOM 1663 O O    . ASP Axp A    101 ? 33.944 63.602 43.972 1   45.42   ? 101 A 1 .
ATOM 1664 C CB   . ASP Axp A    101 ? 36.734 64.851 45.006 1   51.042  ? 101 A 1 .
ATOM 1665 C CG   . ASP Axp A    101 ? 38.221 64.794 44.708 1   49.533  ? 101 A 1 .
ATOM 1666 O OD1  . ASP Axp A    101 ? 38.627 64.081 43.779 1   46.475  ? 101 A 1 .
ATOM 1667 O OD2  . ASP Axp A    101 ? 38.952 65.481 45.407 1   55.02   ? 101 A 1 .
ATOM 1668 H H    . ASP Axp A    101 ? 36.678 66.871 43.432 1   44.768  ? 101 A 1 c
ATOM 1669 H HA   . ASP Axp A    101 ? 36.119 64.375 43.109 1   47.73   ? 101 A 1 c
ATOM 1670 H HB3  . ASP Axp A    101 ? 36.487 64.018 45.461 1   50.063  ? 101 A 1 c
ATOM 1671 H HB2  . ASP Axp A    101 ? 36.571 65.591 45.627 1   50.014  ? 101 A 1 c
ATOM 1672 N N    . ILE Axp A    102 ? 33.731 65.664 44.863 1   42.589  ? 102 A 1 .
ATOM 1673 C CA   . ILE Axp A    102 ? 32.331 65.48  45.222 1   43.035  ? 102 A 1 .
ATOM 1674 C C    . ILE Axp A    102 ? 31.491 65.317 43.946 1   45.702  ? 102 A 1 .
ATOM 1675 O O    . ILE Axp A    102 ? 31.019 64.224 43.625 1   43.16   ? 102 A 1 .
ATOM 1676 C CB   . ILE Axp A    102 ? 31.838 66.643 46.105 1   38.942  ? 102 A 1 .
ATOM 1677 C CG1  . ILE Axp A    102 ? 32.706 66.771 47.366 1   40.922  ? 102 A 1 .
ATOM 1678 C CG2  . ILE Axp A    102 ? 30.355 66.47  46.42  1   35.181  ? 102 A 1 .
ATOM 1679 C CD1  . ILE Axp A    102 ? 32.214 67.742 48.427 1   41.969  ? 102 A 1 .
ATOM 1680 H H    . ILE Axp A    102 ? 34.147 66.448 45.081 1   43.458  ? 102 A 1 c
ATOM 1681 H HA   . ILE Axp A    102 ? 32.259 64.655 45.742 1   42.667  ? 102 A 1 c
ATOM 1682 H HB   . ILE Axp A    102 ? 31.94  67.468 45.594 1   39.37   ? 102 A 1 c
ATOM 1683 H HG12 . ILE Axp A    102 ? 33.604 67.048 47.095 1   40.731  ? 102 A 1 c
ATOM 1684 H HG13 . ILE Axp A    102 ? 32.784 65.885 47.774 1   40.706  ? 102 A 1 c
ATOM 1685 H HG21 . ILE Axp A    102 ? 30.078 67.137 47.069 1   36.325  ? 102 A 1 c
ATOM 1686 H HG22 . ILE Axp A    102 ? 30.201 65.583 46.784 1   36.275  ? 102 A 1 c
ATOM 1687 H HG23 . ILE Axp A    102 ? 29.833 66.58  45.608 1   36.31   ? 102 A 1 c
ATOM 1688 H HD11 . ILE Axp A    102 ? 31.919 68.57  48.003 1   41.648  ? 102 A 1 c
ATOM 1689 H HD12 . ILE Axp A    102 ? 32.938 67.938 49.05  1   41.675  ? 102 A 1 c
ATOM 1690 H HD13 . ILE Axp A    102 ? 31.467 67.345 48.915 1   41.592  ? 102 A 1 c
ATOM 1691 N N    . ARG Axp A    103 ? 31.389 66.413 43.183 1   47.009  ? 103 A 1 .
ATOM 1692 C CA   . ARG Axp A    103 ? 30.488 66.517 42.054 1   41.791  ? 103 A 1 .
ATOM 1693 C C    . ARG Axp A    103 ? 30.698 65.387 41.058 1   42.386  ? 103 A 1 .
ATOM 1694 O O    . ARG Axp A    103 ? 29.766 64.671 40.743 1   48.544  ? 103 A 1 .
ATOM 1695 C CB   . ARG Axp A    103 ? 30.734 67.84  41.344 1   41.049  ? 103 A 1 .
ATOM 1696 C CG   . ARG Axp A    103 ? 29.555 68.138 40.437 1   41.233  ? 103 A 1 .
ATOM 1697 C CD   . ARG Axp A    103 ? 28.358 68.469 41.273 1   45.249  ? 103 A 1 .
ATOM 1698 N NE   . ARG Axp A    103 ? 27.222 68.961 40.485 1   52.013  ? 103 A 1 .
ATOM 1699 C CZ   . ARG Axp A    103 ? 26.428 68.193 39.748 1   55.114  ? 103 A 1 .
ATOM 1700 N NH1  . ARG Axp A    103 ? 26.656 66.889 39.693 1   56.891  ? 103 A 1 .
ATOM 1701 N NH2  . ARG Axp A    103 ? 25.411 68.731 39.091 1   53.648  ? 103 A 1 .
ATOM 1702 H H    . ARG Axp A    103 ? 31.924 67.129 43.376 1   45.285  ? 103 A 1 c
ATOM 1703 H HA   . ARG Axp A    103 ? 29.561 66.476 42.393 1   42.853  ? 103 A 1 c
ATOM 1704 H HB3  . ARG Axp A    103 ? 31.556 67.792 40.811 1   41.324  ? 103 A 1 c
ATOM 1705 H HB2  . ARG Axp A    103 ? 30.832 68.56  42.002 1   41.345  ? 103 A 1 c
ATOM 1706 H HG3  . ARG Axp A    103 ? 29.357 67.357 39.875 1   42.147  ? 103 A 1 c
ATOM 1707 H HG2  . ARG Axp A    103 ? 29.769 68.9   39.856 1   42.097  ? 103 A 1 c
ATOM 1708 H HD3  . ARG Axp A    103 ? 28.61  69.153 41.927 1   45.761  ? 103 A 1 c
ATOM 1709 H HD2  . ARG Axp A    103 ? 28.077 67.675 41.769 1   45.784  ? 103 A 1 c
ATOM 1710 H HE   . ARG Axp A    103 ? 27.057 69.816 40.5   1   51.084  ? 103 A 1 c
ATOM 1711 H HH11 . ARG Axp A    103 ? 26.344 66.36  40.329 1   56.793  ? 103 A 1 c
ATOM 1712 H HH12 . ARG Axp A    103 ? 27.133 66.557 39.027 1   56.799  ? 103 A 1 c
ATOM 1713 H HH21 . ARG Axp A    103 ? 25.01  69.451 39.412 1   54.069  ? 103 A 1 c
ATOM 1714 H HH22 . ARG Axp A    103 ? 25.139 68.368 38.333 1   54.277  ? 103 A 1 c
ATOM 1715 N N    . TYR Axp A    104 ? 31.907 65.211 40.543 1   44.52   ? 104 A 1 .
ATOM 1716 C CA   . TYR Axp A    104 ? 32.121 64.112 39.619 1   52.438  ? 104 A 1 .
ATOM 1717 C C    . TYR Axp A    104 ? 31.726 62.791 40.278 1   50.635  ? 104 A 1 .
ATOM 1718 O O    . TYR Axp A    104 ? 31.052 61.968 39.652 1   54.913  ? 104 A 1 .
ATOM 1719 C CB   . TYR Axp A    104 ? 33.558 64.061 39.1   1   61.83   ? 104 A 1 .
ATOM 1720 C CG   . TYR Axp A    104 ? 33.902 65.126 38.067 1   72.096  ? 104 A 1 .
ATOM 1721 C CD1  . TYR Axp A    104 ? 32.929 65.691 37.237 1   73.005  ? 104 A 1 .
ATOM 1722 C CD2  . TYR Axp A    104 ? 35.211 65.588 37.941 1   75.853  ? 104 A 1 .
ATOM 1723 C CE1  . TYR Axp A    104 ? 33.256 66.652 36.294 1   75.391  ? 104 A 1 .
ATOM 1724 C CE2  . TYR Axp A    104 ? 35.55  66.557 37.009 1   75.337  ? 104 A 1 .
ATOM 1725 C CZ   . TYR Axp A    104 ? 34.571 67.083 36.182 1   76.38   ? 104 A 1 .
ATOM 1726 O OH   . TYR Axp A    104 ? 34.926 68.027 35.267 1   71.464  ? 104 A 1 .
ATOM 1727 H H    . TYR Axp A    104 ? 32.601 65.763 40.765 1   45.65   ? 104 A 1 c
ATOM 1728 H HA   . TYR Axp A    104 ? 31.519 64.249 38.843 1   52.206  ? 104 A 1 c
ATOM 1729 H HB3  . TYR Axp A    104 ? 33.706 63.183 38.705 1   62.441  ? 104 A 1 c
ATOM 1730 H HB2  . TYR Axp A    104 ? 34.168 64.153 39.865 1   61.823  ? 104 A 1 c
ATOM 1731 H HD1  . TYR Axp A    104 ? 32.036 65.394 37.297 1   72.906  ? 104 A 1 c
ATOM 1732 H HD2  . TYR Axp A    104 ? 35.885 65.226 38.495 1   74.756  ? 104 A 1 c
ATOM 1733 H HE1  . TYR Axp A    104 ? 32.591 67.013 35.733 1   74.98   ? 104 A 1 c
ATOM 1734 H HE2  . TYR Axp A    104 ? 36.443 66.847 36.928 1   75.598  ? 104 A 1 c
ATOM 1735 H HH   . TYR Axp A    104 ? 34.076 68.148 34.735 0   42.36   ? 104 A 1 c
ATOM 1736 N N    . GLY Axp A    105 ? 32.115 62.599 41.545 1   49.963  ? 105 A 1 .
ATOM 1737 C CA   . GLY Axp A    105 ? 31.706 61.42  42.302 1   53.378  ? 105 A 1 .
ATOM 1738 C C    . GLY Axp A    105 ? 30.199 61.168 42.2   1   58.715  ? 105 A 1 .
ATOM 1739 O O    . GLY Axp A    105 ? 29.738 60.023 42.236 1   64.902  ? 105 A 1 .
ATOM 1740 H H    . GLY Axp A    105 ? 32.656 63.215 41.949 1   50.838  ? 105 A 1 c
ATOM 1741 H HA3  . GLY Axp A    105 ? 31.955 61.544 43.248 1   53.671  ? 105 A 1 c
ATOM 1742 H HA2  . GLY Axp A    105 ? 32.195 60.634 41.961 1   53.671  ? 105 A 1 c
ATOM 1743 N N    . VAL Axp A    106 ? 29.448 62.262 42.036 1   60.071  ? 106 A 1 .
ATOM 1744 C CA   . VAL Axp A    106 ? 28.001 62.237 41.97  1   49.03   ? 106 A 1 .
ATOM 1745 C C    . VAL Axp A    106 ? 27.551 61.766 40.604 1   46.031  ? 106 A 1 .
ATOM 1746 O O    . VAL Axp A    106 ? 26.419 61.346 40.505 1   50.234  ? 106 A 1 .
ATOM 1747 C CB   . VAL Axp A    106 ? 27.386 63.622 42.239 1   47.794  ? 106 A 1 .
ATOM 1748 C CG1  . VAL Axp A    106 ? 25.886 63.666 42.006 1   40.768  ? 106 A 1 .
ATOM 1749 C CG2  . VAL Axp A    106 ? 27.757 64.128 43.624 1   53.595  ? 106 A 1 .
ATOM 1750 H H    . VAL Axp A    106 ? 29.862 63.075 41.993 1   56.725  ? 106 A 1 c
ATOM 1751 H HA   . VAL Axp A    106 ? 27.669 61.611 42.643 1   50.306  ? 106 A 1 c
ATOM 1752 H HB   . VAL Axp A    106 ? 27.787 64.242 41.591 1   47.614  ? 106 A 1 c
ATOM 1753 H HG11 . VAL Axp A    106 ? 25.48  62.849 42.341 1   42.826  ? 106 A 1 c
ATOM 1754 H HG12 . VAL Axp A    106 ? 25.706 63.752 41.054 1   42.826  ? 106 A 1 c
ATOM 1755 H HG13 . VAL Axp A    106 ? 25.507 64.429 42.472 1   42.862  ? 106 A 1 c
ATOM 1756 H HG21 . VAL Axp A    106 ? 26.962 64.449 44.081 1   51.63   ? 106 A 1 c
ATOM 1757 H HG22 . VAL Axp A    106 ? 28.397 64.854 43.543 1   51.656  ? 106 A 1 c
ATOM 1758 H HG23 . VAL Axp A    106 ? 28.154 63.405 44.14  1   51.759  ? 106 A 1 c
ATOM 1759 N N    . SER Axp A    107 ? 28.346 61.933 39.544 1   46.895  ? 107 A 1 .
ATOM 1760 C CA   . SER Axp A    107 ? 27.808 61.598 38.234 1   58.97   ? 107 A 1 .
ATOM 1761 C C    . SER Axp A    107 ? 28.444 60.325 37.684 1   64.075  ? 107 A 1 .
ATOM 1762 O O    . SER Axp A    107 ? 27.785 59.606 36.928 1   65.084  ? 107 A 1 .
ATOM 1763 C CB   . SER Axp A    107 ? 27.863 62.737 37.259 1   62.515  ? 107 A 1 .
ATOM 1764 O OG   . SER Axp A    107 ? 29.186 63.22  37.141 1   74.288  ? 107 A 1 .
ATOM 1765 H H    . SER Axp A    107 ? 29.191 62.269 39.623 1   49.402  ? 107 A 1 c
ATOM 1766 H HA   . SER Axp A    107 ? 26.851 61.393 38.364 1   57.92   ? 107 A 1 c
ATOM 1767 H HB3  . SER Axp A    107 ? 27.279 63.456 37.567 1   64.279  ? 107 A 1 c
ATOM 1768 H HB2  . SER Axp A    107 ? 27.546 62.434 36.387 1   64.278  ? 107 A 1 c
ATOM 1769 H HG   . SER Axp A    107 ? 29.313 63.585 36.431 0   40.57   ? 107 A 1 c
ATOM 1770 N N    . ARG Axp A    108 ? 29.671 60     38.129 1   73.753  ? 108 A 1 .
ATOM 1771 C CA   . ARG Axp A    108 ? 30.272 58.705 37.824 1   81.246  ? 108 A 1 .
ATOM 1772 C C    . ARG Axp A    108 ? 29.2   57.627 37.944 1   84.328  ? 108 A 1 .
ATOM 1773 O O    . ARG Axp A    108 ? 29.34  56.544 37.372 1   87.866  ? 108 A 1 .
ATOM 1774 C CB   . ARG Axp A    108 ? 31.451 58.314 38.728 1   83.831  ? 108 A 1 .
ATOM 1775 C CG   . ARG Axp A    108 ? 32.787 58.814 38.205 1   99.402  ? 108 A 1 .
ATOM 1776 C CD   . ARG Axp A    108 ? 33.913 58.844 39.248 1   118.101 ? 108 A 1 .
ATOM 1777 N NE   . ARG Axp A    108 ? 35.195 59.224 38.637 1   129.096 ? 108 A 1 .
ATOM 1778 C CZ   . ARG Axp A    108 ? 35.486 60.333 37.932 1   116.001 ? 108 A 1 .
ATOM 1779 N NH1  . ARG Axp A    108 ? 34.684 61.396 37.899 1   100.281 ? 108 A 1 .
ATOM 1780 N NH2  . ARG Axp A    108 ? 36.638 60.384 37.284 1   110.356 ? 108 A 1 .
ATOM 1781 H H    . ARG Axp A    108 ? 30.151 60.603 38.621 1   72.282  ? 108 A 1 c
ATOM 1782 H HA   . ARG Axp A    108 ? 30.59  58.726 36.886 1   80.824  ? 108 A 1 c
ATOM 1783 H HB3  . ARG Axp A    108 ? 31.486 57.336 38.807 1   86.555  ? 108 A 1 c
ATOM 1784 H HB2  . ARG Axp A    108 ? 31.301 58.683 39.625 1   86.558  ? 108 A 1 c
ATOM 1785 H HG3  . ARG Axp A    108 ? 32.663 59.717 37.845 1   99.387  ? 108 A 1 c
ATOM 1786 H HG2  . ARG Axp A    108 ? 33.068 58.241 37.458 1   99.4    ? 108 A 1 c
ATOM 1787 H HD3  . ARG Axp A    108 ? 34     57.96  39.66  1   116.057 ? 108 A 1 c
ATOM 1788 H HD2  . ARG Axp A    108 ? 33.687 59.486 39.952 1   116.057 ? 108 A 1 c
ATOM 1789 H HE   . ARG Axp A    108 ? 35.854 58.663 38.743 1   123.105 ? 108 A 1 c
ATOM 1790 H HH11 . ARG Axp A    108 ? 33.836 61.325 38.127 1   104.045 ? 108 A 1 c
ATOM 1791 H HH12 . ARG Axp A    108 ? 35.018 62.172 37.641 1   103.883 ? 108 A 1 c
ATOM 1792 H HH21 . ARG Axp A    108 ? 36.937 59.665 36.865 1   112.069 ? 108 A 1 c
ATOM 1793 H HH22 . ARG Axp A    108 ? 37.106 61.134 37.274 1   111.999 ? 108 A 1 c
ATOM 1794 N N    . ILE Axp A    109 ? 28.128 57.967 38.68  1   77.861  ? 109 A 1 .
ATOM 1795 C CA   . ILE Axp A    109 ? 27.109 57.018 39.075 1   72.724  ? 109 A 1 .
ATOM 1796 C C    . ILE Axp A    109 ? 25.744 57.459 38.56  1   71.045  ? 109 A 1 .
ATOM 1797 O O    . ILE Axp A    109 ? 25.137 56.722 37.802 1   79.87   ? 109 A 1 .
ATOM 1798 C CB   . ILE Axp A    109 ? 27.122 56.825 40.6   1   69.35   ? 109 A 1 .
ATOM 1799 C CG1  . ILE Axp A    109 ? 26.883 58.116 41.332 1   72.302  ? 109 A 1 .
ATOM 1800 C CG2  . ILE Axp A    109 ? 28.429 56.184 41.066 1   67.522  ? 109 A 1 .
ATOM 1801 C CD1  . ILE Axp A    109 ? 26.589 57.913 42.798 1   73.167  ? 109 A 1 .
ATOM 1802 H H    . ILE Axp A    109 ? 28.049 58.826 38.977 1   77.717  ? 109 A 1 c
ATOM 1803 H HA   . ILE Axp A    109 ? 27.321 56.158 38.664 1   72.893  ? 109 A 1 c
ATOM 1804 H HB   . ILE Axp A    109 ? 26.391 56.216 40.828 1   70.186  ? 109 A 1 c
ATOM 1805 H HG12 . ILE Axp A    109 ? 26.126 58.581 40.93  1   71.835  ? 109 A 1 c
ATOM 1806 H HG13 . ILE Axp A    109 ? 27.673 58.687 41.241 1   71.818  ? 109 A 1 c
ATOM 1807 H HG21 . ILE Axp A    109 ? 28.316 55.828 41.964 1   68.097  ? 109 A 1 c
ATOM 1808 H HG22 . ILE Axp A    109 ? 29.136 56.85  41.07  1   68.116  ? 109 A 1 c
ATOM 1809 H HG23 . ILE Axp A    109 ? 28.671 55.461 40.462 1   68.104  ? 109 A 1 c
ATOM 1810 H HD11 . ILE Axp A    109 ? 25.945 57.188 42.908 1   72.884  ? 109 A 1 c
ATOM 1811 H HD12 . ILE Axp A    109 ? 26.218 58.735 43.172 1   72.898  ? 109 A 1 c
ATOM 1812 H HD13 . ILE Axp A    109 ? 27.414 57.688 43.27  1   72.878  ? 109 A 1 c
ATOM 1813 N N    . ALA Axp A    110 ? 25.296 58.66  38.937 1   72.845  ? 110 A 1 .
ATOM 1814 C CA   . ALA Axp A    110 ? 23.972 59.197 38.635 1   80.144  ? 110 A 1 .
ATOM 1815 C C    . ALA Axp A    110 ? 23.377 58.65  37.34  1   81.178  ? 110 A 1 .
ATOM 1816 O O    . ALA Axp A    110 ? 22.169 58.559 37.237 1   89.844  ? 110 A 1 .
ATOM 1817 C CB   . ALA Axp A    110 ? 24.023 60.721 38.565 1   78.167  ? 110 A 1 .
ATOM 1818 H H    . ALA Axp A    110 ? 25.879 59.212 39.372 1   74.04   ? 110 A 1 c
ATOM 1819 H HA   . ALA Axp A    110 ? 23.364 58.935 39.38  1   78.493  ? 110 A 1 c
ATOM 1820 H HB3  . ALA Axp A    110 ? 23.178 61.061 38.223 1   78.655  ? 110 A 1 c
ATOM 1821 H HB2  . ALA Axp A    110 ? 24.742 60.998 37.974 1   78.493  ? 110 A 1 c
ATOM 1822 H HB1  . ALA Axp A    110 ? 24.176 61.084 39.453 1   78.471  ? 110 A 1 c
ATOM 1823 N N    . TYR Axp A    111 ? 24.204 58.358 36.336 1   86.054  ? 111 A 1 .
ATOM 1824 C CA   . TYR Axp A    111 ? 23.719 57.895 35.049 1   87.617  ? 111 A 1 .
ATOM 1825 C C    . TYR Axp A    111 ? 23.446 56.393 35.094 1   95.771  ? 111 A 1 .
ATOM 1826 O O    . TYR Axp A    111 ? 22.457 55.937 34.529 1   119.086 ? 111 A 1 .
ATOM 1827 C CB   . TYR Axp A    111 ? 24.774 58.246 33.996 1   93.534  ? 111 A 1 .
ATOM 1828 C CG   . TYR Axp A    111 ? 24.829 59.705 33.564 1   96.692  ? 111 A 1 .
ATOM 1829 C CD1  . TYR Axp A    111 ? 23.683 60.354 33.125 1   93.703  ? 111 A 1 .
ATOM 1830 C CD2  . TYR Axp A    111 ? 26.024 60.424 33.574 1   103.866 ? 111 A 1 .
ATOM 1831 C CE1  . TYR Axp A    111 ? 23.717 61.675 32.72  1   96.128  ? 111 A 1 .
ATOM 1832 C CE2  . TYR Axp A    111 ? 26.07  61.752 33.182 1   118.922 ? 111 A 1 .
ATOM 1833 C CZ   . TYR Axp A    111 ? 24.912 62.377 32.747 1   115.943 ? 111 A 1 .
ATOM 1834 O OH   . TYR Axp A    111 ? 24.943 63.685 32.353 1   127.258 ? 111 A 1 .
ATOM 1835 H H    . TYR Axp A    111 ? 25.103 58.477 36.447 1   85.095  ? 111 A 1 c
ATOM 1836 H HA   . TYR Axp A    111 ? 22.874 58.37  34.831 1   89.805  ? 111 A 1 c
ATOM 1837 H HB3  . TYR Axp A    111 ? 24.608 57.693 33.201 1   92.877  ? 111 A 1 c
ATOM 1838 H HB2  . TYR Axp A    111 ? 25.656 57.989 34.347 1   92.89   ? 111 A 1 c
ATOM 1839 H HD1  . TYR Axp A    111 ? 22.869 59.882 33.094 1   95.428  ? 111 A 1 c
ATOM 1840 H HD2  . TYR Axp A    111 ? 26.814 60.004 33.874 1   105.302 ? 111 A 1 c
ATOM 1841 H HE1  . TYR Axp A    111 ? 22.931 62.1   32.423 1   100.093 ? 111 A 1 c
ATOM 1842 H HE2  . TYR Axp A    111 ? 26.884 62.226 33.202 1   114.219 ? 111 A 1 c
ATOM 1843 H HH   . TYR Axp A    111 ? 24.134 63.879 32.219 0   67.37   ? 111 A 1 c
ATOM 1844 N N    . SER Axp A    112 ? 24.343 55.645 35.757 1   95.005  ? 112 A 1 .
ATOM 1845 C CA   . SER Axp A    112 ? 24.353 54.189 35.772 1   92.842  ? 112 A 1 .
ATOM 1846 C C    . SER Axp A    112 ? 23.124 53.591 36.464 1   98.855  ? 112 A 1 .
ATOM 1847 O O    . SER Axp A    112 ? 22.161 54.289 36.815 1   92.276  ? 112 A 1 .
ATOM 1848 C CB   . SER Axp A    112 ? 25.625 53.695 36.415 1   91.986  ? 112 A 1 .
ATOM 1849 O OG   . SER Axp A    112 ? 25.611 52.288 36.611 1   85.939  ? 112 A 1 .
ATOM 1850 H H    . SER Axp A    112 ? 24.998 56.079 36.224 1   94.379  ? 112 A 1 c
ATOM 1851 H HA   . SER Axp A    112 ? 24.348 53.88  34.83  1   94.172  ? 112 A 1 c
ATOM 1852 H HB3  . SER Axp A    112 ? 25.741 54.138 37.277 1   90.667  ? 112 A 1 c
ATOM 1853 H HB2  . SER Axp A    112 ? 26.383 53.934 35.849 1   90.694  ? 112 A 1 c
ATOM 1854 H HG   . SER Axp A    112 ? 26.365 51.75  37.022 0   61.93   ? 112 A 1 c
ATOM 1855 N N    . LYS Axp A    113 ? 23.204 52.265 36.655 1   105.422 ? 113 A 1 .
ATOM 1856 C CA   . LYS Axp A    113 ? 22.047 51.417 36.901 1   109.644 ? 113 A 1 .
ATOM 1857 C C    . LYS Axp A    113 ? 21.976 50.957 38.357 1   103.632 ? 113 A 1 .
ATOM 1858 O O    . LYS Axp A    113 ? 20.893 50.907 38.939 1   82.788  ? 113 A 1 .
ATOM 1859 C CB   . LYS Axp A    113 ? 22.095 50.228 35.933 1   112.176 ? 113 A 1 .
ATOM 1860 C CG   . LYS Axp A    113 ? 21.021 50.275 34.875 1   111.897 ? 113 A 1 .
ATOM 1861 C CD   . LYS Axp A    113 ? 19.647 50.409 35.521 1   125.098 ? 113 A 1 .
ATOM 1862 C CE   . LYS Axp A    113 ? 18.545 50.053 34.581 1   142.049 ? 113 A 1 .
ATOM 1863 N NZ   . LYS Axp A    113 ? 17.259 50.045 35.281 1   153.184 ? 113 A 1 .
ATOM 1864 H H    . LYS Axp A    113 ? 24.027 51.87  36.625 1   104.623 ? 113 A 1 c
ATOM 1865 H HA   . LYS Axp A    113 ? 21.238 51.95  36.711 1   108.225 ? 113 A 1 c
ATOM 1866 H HB3  . LYS Axp A    113 ? 21.996 49.395 36.442 1   111.47  ? 113 A 1 c
ATOM 1867 H HB2  . LYS Axp A    113 ? 22.97  50.208 35.49  1   111.437 ? 113 A 1 c
ATOM 1868 H HG3  . LYS Axp A    113 ? 21.056 49.451 34.342 1   115.102 ? 113 A 1 c
ATOM 1869 H HG2  . LYS Axp A    113 ? 21.183 51.042 34.283 1   114.873 ? 113 A 1 c
ATOM 1870 H HD3  . LYS Axp A    113 ? 19.518 51.335 35.822 1   125.426 ? 113 A 1 c
ATOM 1871 H HD2  . LYS Axp A    113 ? 19.602 49.823 36.307 1   125.66  ? 113 A 1 c
ATOM 1872 H HE3  . LYS Axp A    113 ? 18.707 49.171 34.2   1   140.276 ? 113 A 1 c
ATOM 1873 H HE2  . LYS Axp A    113 ? 18.51  50.7   33.854 1   140.42  ? 113 A 1 c
ATOM 1874 H HZ1  . LYS Axp A    113 ? 17.096 50.864 35.631 1   149.438 ? 113 A 1 c
ATOM 1875 H HZ2  . LYS Axp A    113 ? 17.277 49.434 35.95  1   149.305 ? 113 A 1 c
ATOM 1876 H HZ3  . LYS Axp A    113 ? 16.596 49.832 34.702 1   149.555 ? 113 A 1 c
ATOM 1877 N N    . ASP Axp A    114 ? 23.132 50.62  38.942 1   103.538 ? 114 A 1 .
ATOM 1878 C CA   . ASP Axp A    114 ? 23.206 50.304 40.36  1   111.578 ? 114 A 1 .
ATOM 1879 C C    . ASP Axp A    114 ? 23.333 51.582 41.193 1   115.648 ? 114 A 1 .
ATOM 1880 O O    . ASP Axp A    114 ? 24.057 51.616 42.189 1   115.967 ? 114 A 1 .
ATOM 1881 C CB   . ASP Axp A    114 ? 24.405 49.431 40.685 1   112.604 ? 114 A 1 .
ATOM 1882 C CG   . ASP Axp A    114 ? 24.623 48.245 39.771 1   114.814 ? 114 A 1 .
ATOM 1883 O OD1  . ASP Axp A    114 ? 23.614 47.624 39.386 1   122.697 ? 114 A 1 .
ATOM 1884 O OD2  . ASP Axp A    114 ? 25.803 47.953 39.492 1   121.07  ? 114 A 1 .
ATOM 1885 H H    . ASP Axp A    114 ? 23.896 50.582 38.442 1   105.438 ? 114 A 1 c
ATOM 1886 H HA   . ASP Axp A    114 ? 22.387 49.827 40.624 1   110.643 ? 114 A 1 c
ATOM 1887 H HB3  . ASP Axp A    114 ? 24.313 49.081 41.591 1   112.637 ? 114 A 1 c
ATOM 1888 H HB2  . ASP Axp A    114 ? 25.217 49.98  40.655 1   112.912 ? 114 A 1 c
ATOM 1889 N N    . PHE Axp A    115 ? 22.615 52.637 40.804 1   111.442 ? 115 A 1 .
ATOM 1890 C CA   . PHE Axp A    115 ? 22.683 53.883 41.542 1   111.344 ? 115 A 1 .
ATOM 1891 C C    . PHE Axp A    115 ? 22.341 53.572 42.994 1   111.804 ? 115 A 1 .
ATOM 1892 O O    . PHE Axp A    115 ? 23.208 53.617 43.874 1   110.513 ? 115 A 1 .
ATOM 1893 C CB   . PHE Axp A    115 ? 21.737 54.929 40.935 1   114.345 ? 115 A 1 .
ATOM 1894 C CG   . PHE Axp A    115 ? 21.493 56.106 41.868 1   102.724 ? 115 A 1 .
ATOM 1895 C CD1  . PHE Axp A    115 ? 22.372 57.182 41.883 1   84.822  ? 115 A 1 .
ATOM 1896 C CD2  . PHE Axp A    115 ? 20.413 56.109 42.754 1   95.659  ? 115 A 1 .
ATOM 1897 C CE1  . PHE Axp A    115 ? 22.166 58.24  42.742 1   77.887  ? 115 A 1 .
ATOM 1898 C CE2  . PHE Axp A    115 ? 20.23  57.162 43.631 1   82.309  ? 115 A 1 .
ATOM 1899 C CZ   . PHE Axp A    115 ? 21.109 58.22  43.624 1   80.223  ? 115 A 1 .
ATOM 1900 H H    . PHE Axp A    115 ? 22.064 52.58  40.079 1   112.273 ? 115 A 1 c
ATOM 1901 H HA   . PHE Axp A    115 ? 23.614 54.229 41.497 1   111.985 ? 115 A 1 c
ATOM 1902 H HB3  . PHE Axp A    115 ? 20.878 54.499 40.727 1   110.909 ? 115 A 1 c
ATOM 1903 H HB2  . PHE Axp A    115 ? 22.128 55.259 40.096 1   110.916 ? 115 A 1 c
ATOM 1904 H HD1  . PHE Axp A    115 ? 23.107 57.194 41.291 1   87.004  ? 115 A 1 c
ATOM 1905 H HD2  . PHE Axp A    115 ? 19.822 55.375 42.769 1   94.219  ? 115 A 1 c
ATOM 1906 H HE1  . PHE Axp A    115 ? 22.768 58.968 42.744 1   80.284  ? 115 A 1 c
ATOM 1907 H HE2  . PHE Axp A    115 ? 19.494 57.161 44.222 1   84.84   ? 115 A 1 c
ATOM 1908 H HZ   . PHE Axp A    115 ? 20.968 58.951 44.204 1   80.42   ? 115 A 1 c
ATOM 1909 N N    . GLU Axp A    116 ? 21.073 53.173 43.184 1   111.702 ? 116 A 1 .
ATOM 1910 C CA   . GLU Axp A    116 ? 20.513 52.845 44.486 1   97.811  ? 116 A 1 .
ATOM 1911 C C    . GLU Axp A    116 ? 21.491 51.969 45.267 1   84.381  ? 116 A 1 .
ATOM 1912 O O    . GLU Axp A    116 ? 21.405 51.905 46.482 1   72.257  ? 116 A 1 .
ATOM 1913 C CB   . GLU Axp A    116 ? 19.172 52.14  44.3   1   99.31   ? 116 A 1 .
ATOM 1914 C CG   . GLU Axp A    116 ? 18.202 52.898 43.396 1   110.064 ? 116 A 1 .
ATOM 1915 C CD   . GLU Axp A    116 ? 17.445 53.992 44.114 1   119.982 ? 116 A 1 .
ATOM 1916 O OE1  . GLU Axp A    116 ? 16.655 53.637 45.022 1   104.977 ? 116 A 1 .
ATOM 1917 O OE2  . GLU Axp A    116 ? 17.643 55.182 43.77  1   146.527 ? 116 A 1 .
ATOM 1918 H H    . GLU Axp A    116 ? 20.542 53.073 42.448 1   108.466 ? 116 A 1 c
ATOM 1919 H HA   . GLU Axp A    116 ? 20.371 53.688 44.987 1   97.98   ? 116 A 1 c
ATOM 1920 H HB3  . GLU Axp A    116 ? 18.758 52.013 45.18  1   101.399 ? 116 A 1 c
ATOM 1921 H HB2  . GLU Axp A    116 ? 19.333 51.253 43.916 1   101.235 ? 116 A 1 c
ATOM 1922 H HG3  . GLU Axp A    116 ? 17.552 52.264 43.023 1   109.713 ? 116 A 1 c
ATOM 1923 H HG2  . GLU Axp A    116 ? 18.69  53.295 42.647 1   109.797 ? 116 A 1 c
ATOM 1924 N N    . THR Axp A    117 ? 22.434 51.329 44.555 1   89.775  ? 117 A 1 .
ATOM 1925 C CA   . THR Axp A    117 ? 23.405 50.409 45.136 1   90.02   ? 117 A 1 .
ATOM 1926 C C    . THR Axp A    117 ? 24.788 51.048 45.275 1   85.403  ? 117 A 1 .
ATOM 1927 O O    . THR Axp A    117 ? 25.577 50.638 46.128 1   76.563  ? 117 A 1 .
ATOM 1928 C CB   . THR Axp A    117 ? 23.484 49.162 44.25  1   93.698  ? 117 A 1 .
ATOM 1929 O OG1  . THR Axp A    117 ? 22.17  48.613 44.202 1   108.352 ? 117 A 1 .
ATOM 1930 C CG2  . THR Axp A    117 ? 24.474 48.116 44.735 1   87.979  ? 117 A 1 .
ATOM 1931 H H    . THR Axp A    117 ? 22.44  51.433 43.648 1   89.093  ? 117 A 1 c
ATOM 1932 H HA   . THR Axp A    117 ? 23.09  50.14  46.026 1   89.622  ? 117 A 1 c
ATOM 1933 H HB   . THR Axp A    117 ? 23.746 49.439 43.342 1   94.921  ? 117 A 1 c
ATOM 1934 H HG1  . THR Axp A    117 ? 21.752 48.395 44.84  0   76.63   ? 117 A 1 c
ATOM 1935 H HG21 . THR Axp A    117 ? 24.188 47.236 44.439 1   89.736  ? 117 A 1 c
ATOM 1936 H HG22 . THR Axp A    117 ? 24.516 48.134 45.706 1   89.654  ? 117 A 1 c
ATOM 1937 H HG23 . THR Axp A    117 ? 25.355 48.309 44.37  1   89.638  ? 117 A 1 c
ATOM 1938 N N    . LEU Axp A    118 ? 25.115 51.987 44.383 1   88.39   ? 118 A 1 .
ATOM 1939 C CA   . LEU Axp A    118 ? 26.428 52.608 44.391 1   88.84   ? 118 A 1 .
ATOM 1940 C C    . LEU Axp A    118 ? 26.431 53.848 45.284 1   88.287  ? 118 A 1 .
ATOM 1941 O O    . LEU Axp A    118 ? 27.483 54.25  45.778 1   74.903  ? 118 A 1 .
ATOM 1942 C CB   . LEU Axp A    118 ? 26.86  52.943 42.965 1   86.856  ? 118 A 1 .
ATOM 1943 C CG   . LEU Axp A    118 ? 27.492 51.796 42.173 1   86.055  ? 118 A 1 .
ATOM 1944 C CD1  . LEU Axp A    118 ? 27.635 52.234 40.716 1   90.439  ? 118 A 1 .
ATOM 1945 C CD2  . LEU Axp A    118 ? 28.829 51.342 42.771 1   79.103  ? 118 A 1 .
ATOM 1946 H H    . LEU Axp A    118 ? 24.512 52.238 43.745 1   88.055  ? 118 A 1 c
ATOM 1947 H HA   . LEU Axp A    118 ? 27.071 51.959 44.771 1   88.102  ? 118 A 1 c
ATOM 1948 H HB3  . LEU Axp A    118 ? 27.509 53.684 43.007 1   87.123  ? 118 A 1 c
ATOM 1949 H HB2  . LEU Axp A    118 ? 26.073 53.268 42.471 1   87.292  ? 118 A 1 c
ATOM 1950 H HG   . LEU Axp A    118 ? 26.869 51.025 42.199 1   85.657  ? 118 A 1 c
ATOM 1951 H HD11 . LEU Axp A    118 ? 26.758 52.436 40.349 1   89.102  ? 118 A 1 c
ATOM 1952 H HD12 . LEU Axp A    118 ? 28.043 51.519 40.2   1   89.069  ? 118 A 1 c
ATOM 1953 H HD13 . LEU Axp A    118 ? 28.195 53.027 40.668 1   89.112  ? 118 A 1 c
ATOM 1954 H HD21 . LEU Axp A    118 ? 28.664 50.722 43.502 1   81.166  ? 118 A 1 c
ATOM 1955 H HD22 . LEU Axp A    118 ? 29.314 52.114 43.107 1   81.185  ? 118 A 1 c
ATOM 1956 H HD23 . LEU Axp A    118 ? 29.359 50.9   42.087 1   81.21   ? 118 A 1 c
ATOM 1957 N N    . LYS Axp A    119 ? 25.264 54.47  45.487 1   90.13   ? 119 A 1 .
ATOM 1958 C CA   . LYS Axp A    119 ? 25.224 55.712 46.239 1   86.702  ? 119 A 1 .
ATOM 1959 C C    . LYS Axp A    119 ? 25.649 55.436 47.679 1   78.801  ? 119 A 1 .
ATOM 1960 O O    . LYS Axp A    119 ? 26.333 56.235 48.323 1   69.675  ? 119 A 1 .
ATOM 1961 C CB   . LYS Axp A    119 ? 23.825 56.32  46.12  1   85.051  ? 119 A 1 .
ATOM 1962 C CG   . LYS Axp A    119 ? 22.795 55.723 47.032 1   86.231  ? 119 A 1 .
ATOM 1963 C CD   . LYS Axp A    119 ? 21.451 56.421 46.868 1   92.025  ? 119 A 1 .
ATOM 1964 C CE   . LYS Axp A    119 ? 20.445 55.869 47.825 1   100.222 ? 119 A 1 .
ATOM 1965 N NZ   . LYS Axp A    119 ? 19.085 55.937 47.284 1   107.16  ? 119 A 1 .
ATOM 1966 H H    . LYS Axp A    119 ? 24.488 54.12  45.155 1   88.845  ? 119 A 1 c
ATOM 1967 H HA   . LYS Axp A    119 ? 25.874 56.341 45.834 1   85.503  ? 119 A 1 c
ATOM 1968 H HB3  . LYS Axp A    119 ? 23.515 56.217 45.195 1   85.708  ? 119 A 1 c
ATOM 1969 H HB2  . LYS Axp A    119 ? 23.882 57.279 46.307 1   85.528  ? 119 A 1 c
ATOM 1970 H HG3  . LYS Axp A    119 ? 23.095 55.813 47.962 1   87.168  ? 119 A 1 c
ATOM 1971 H HG2  . LYS Axp A    119 ? 22.698 54.768 46.825 1   87.266  ? 119 A 1 c
ATOM 1972 H HD3  . LYS Axp A    119 ? 21.129 56.292 45.951 1   92.595  ? 119 A 1 c
ATOM 1973 H HD2  . LYS Axp A    119 ? 21.56  57.383 47.03  1   92.516  ? 119 A 1 c
ATOM 1974 H HE3  . LYS Axp A    119 ? 20.48  56.374 48.658 1   99.816  ? 119 A 1 c
ATOM 1975 H HE2  . LYS Axp A    119 ? 20.658 54.94  48.026 1   99.682  ? 119 A 1 c
ATOM 1976 H HZ1  . LYS Axp A    119 ? 19.012 55.387 46.567 1   104.868 ? 119 A 1 c
ATOM 1977 H HZ2  . LYS Axp A    119 ? 18.899 56.786 47.028 1   104.875 ? 119 A 1 c
ATOM 1978 H HZ3  . LYS Axp A    119 ? 18.49  55.68  47.917 1   104.936 ? 119 A 1 c
ATOM 1979 N N    . VAL Axp A    120 ? 25.219 54.277 48.169 1   82.727  ? 120 A 1 .
ATOM 1980 C CA   . VAL Axp A    120 ? 25.571 53.846 49.507 1   91.052  ? 120 A 1 .
ATOM 1981 C C    . VAL Axp A    120 ? 27.093 53.842 49.616 1   90.716  ? 120 A 1 .
ATOM 1982 O O    . VAL Axp A    120 ? 27.68  54.339 50.577 1   84.66   ? 120 A 1 .
ATOM 1983 C CB   . VAL Axp A    120 ? 24.975 52.448 49.756 1   87.157  ? 120 A 1 .
ATOM 1984 C CG1  . VAL Axp A    120 ? 25.389 51.895 51.113 1   89.552  ? 120 A 1 .
ATOM 1985 C CG2  . VAL Axp A    120 ? 23.457 52.437 49.583 1   79.429  ? 120 A 1 .
ATOM 1986 H H    . VAL Axp A    120 ? 24.692 53.736 47.654 1   83.681  ? 120 A 1 c
ATOM 1987 H HA   . VAL Axp A    120 ? 25.201 54.477 50.155 1   88.595  ? 120 A 1 c
ATOM 1988 H HB   . VAL Axp A    120 ? 25.352 51.85  49.069 1   86.796  ? 120 A 1 c
ATOM 1989 H HG11 . VAL Axp A    120 ? 24.943 52.395 51.818 1   88.827  ? 120 A 1 c
ATOM 1990 H HG12 . VAL Axp A    120 ? 26.351 51.974 51.221 1   88.845  ? 120 A 1 c
ATOM 1991 H HG13 . VAL Axp A    120 ? 25.136 50.959 51.171 1   88.828  ? 120 A 1 c
ATOM 1992 H HG21 . VAL Axp A    120 ? 23.064 51.794 50.197 1   81.69   ? 120 A 1 c
ATOM 1993 H HG22 . VAL Axp A    120 ? 23.236 52.189 48.67  1   81.666  ? 120 A 1 c
ATOM 1994 H HG23 . VAL Axp A    120 ? 23.102 53.322 49.773 1   81.696  ? 120 A 1 c
ATOM 1995 N N    . ASP Axp A    121 ? 27.703 53.302 48.562 1   88.72   ? 121 A 1 .
ATOM 1996 C CA   . ASP Axp A    121 ? 29.135 53.104 48.438 1   90.528  ? 121 A 1 .
ATOM 1997 C C    . ASP Axp A    121 ? 29.871 54.449 48.334 1   87.412  ? 121 A 1 .
ATOM 1998 O O    . ASP Axp A    121 ? 31.09  54.524 48.53  1   74.27   ? 121 A 1 .
ATOM 1999 C CB   . ASP Axp A    121 ? 29.323 52.166 47.258 1   91.687  ? 121 A 1 .
ATOM 2000 C CG   . ASP Axp A    121 ? 30.652 51.448 47.177 1   91.68   ? 121 A 1 .
ATOM 2001 O OD1  . ASP Axp A    121 ? 30.992 50.77  48.15  1   103.561 ? 121 A 1 .
ATOM 2002 O OD2  . ASP Axp A    121 ? 31.307 51.561 46.132 1   95.365  ? 121 A 1 .
ATOM 2003 H H    . ASP Axp A    121 ? 27.178 53.025 47.867 1   89.522  ? 121 A 1 c
ATOM 2004 H HA   . ASP Axp A    121 ? 29.45  52.639 49.246 1   89.878  ? 121 A 1 c
ATOM 2005 H HB3  . ASP Axp A    121 ? 29.213 52.678 46.431 1   91.326  ? 121 A 1 c
ATOM 2006 H HB2  . ASP Axp A    121 ? 28.623 51.481 47.281 1   91.373  ? 121 A 1 c
ATOM 2007 N N    . PHE Axp A    122 ? 29.115 55.505 47.995 1   88.348  ? 122 A 1 .
ATOM 2008 C CA   . PHE Axp A    122 ? 29.619 56.87  47.914 1   80.762  ? 122 A 1 .
ATOM 2009 C C    . PHE Axp A    122 ? 29.413 57.585 49.25  1   81.352  ? 122 A 1 .
ATOM 2010 O O    . PHE Axp A    122 ? 30.372 58.068 49.859 1   70.94   ? 122 A 1 .
ATOM 2011 C CB   . PHE Axp A    122 ? 28.855 57.562 46.778 1   78.648  ? 122 A 1 .
ATOM 2012 C CG   . PHE Axp A    122 ? 29.016 59.076 46.667 1   74.343  ? 122 A 1 .
ATOM 2013 C CD1  . PHE Axp A    122 ? 30.259 59.664 46.471 1   79.373  ? 122 A 1 .
ATOM 2014 C CD2  . PHE Axp A    122 ? 27.913 59.917 46.767 1   69.454  ? 122 A 1 .
ATOM 2015 C CE1  . PHE Axp A    122 ? 30.381 61.045 46.364 1   75.693  ? 122 A 1 .
ATOM 2016 C CE2  . PHE Axp A    122 ? 28.039 61.295 46.662 1   67.402  ? 122 A 1 .
ATOM 2017 C CZ   . PHE Axp A    122 ? 29.272 61.855 46.471 1   71.23   ? 122 A 1 .
ATOM 2018 H H    . PHE Axp A    122 ? 28.239 55.36  47.781 1   86.244  ? 122 A 1 c
ATOM 2019 H HA   . PHE Axp A    122 ? 30.588 56.852 47.694 1   81.875  ? 122 A 1 c
ATOM 2020 H HB3  . PHE Axp A    122 ? 27.9   57.36  46.882 1   78.036  ? 122 A 1 c
ATOM 2021 H HB2  . PHE Axp A    122 ? 29.141 57.158 45.929 1   78.1    ? 122 A 1 c
ATOM 2022 H HD1  . PHE Axp A    122 ? 31.026 59.118 46.398 1   77.171  ? 122 A 1 c
ATOM 2023 H HD2  . PHE Axp A    122 ? 27.065 59.539 46.901 1   70.426  ? 122 A 1 c
ATOM 2024 H HE1  . PHE Axp A    122 ? 31.233 61.43  46.232 1   75.35   ? 122 A 1 c
ATOM 2025 H HE2  . PHE Axp A    122 ? 27.275 61.845 46.734 1   68.918  ? 122 A 1 c
ATOM 2026 H HZ   . PHE Axp A    122 ? 29.361 62.792 46.4   1   71.38   ? 122 A 1 c
ATOM 2027 N N    . LEU Axp A    123 ? 28.146 57.605 49.702 1   74.794  ? 123 A 1 .
ATOM 2028 C CA   . LEU Axp A    123 ? 27.727 58.249 50.938 1   64.481  ? 123 A 1 .
ATOM 2029 C C    . LEU Axp A    123 ? 28.551 57.809 52.133 1   65.563  ? 123 A 1 .
ATOM 2030 O O    . LEU Axp A    123 ? 28.551 58.497 53.133 1   71.373  ? 123 A 1 .
ATOM 2031 C CB   . LEU Axp A    123 ? 26.259 57.933 51.172 1   57.634  ? 123 A 1 .
ATOM 2032 C CG   . LEU Axp A    123 ? 25.344 58.644 50.183 1   61.138  ? 123 A 1 .
ATOM 2033 C CD1  . LEU Axp A    123 ? 23.904 58.194 50.214 1   66.315  ? 123 A 1 .
ATOM 2034 C CD2  . LEU Axp A    123 ? 25.459 60.123 50.493 1   62.749  ? 123 A 1 .
ATOM 2035 H H    . LEU Axp A    123 ? 27.509 57.18  49.204 1   73.537  ? 123 A 1 c
ATOM 2036 H HA   . LEU Axp A    123 ? 27.839 59.226 50.828 1   65.199  ? 123 A 1 c
ATOM 2037 H HB3  . LEU Axp A    123 ? 26.018 58.207 52.087 1   60.008  ? 123 A 1 c
ATOM 2038 H HB2  . LEU Axp A    123 ? 26.129 56.961 51.082 1   60.026  ? 123 A 1 c
ATOM 2039 H HG   . LEU Axp A    123 ? 25.696 58.492 49.271 1   62.044  ? 123 A 1 c
ATOM 2040 H HD11 . LEU Axp A    123 ? 23.83  57.314 49.809 1   64.743  ? 123 A 1 c
ATOM 2041 H HD12 . LEU Axp A    123 ? 23.353 58.824 49.72  1   64.781  ? 123 A 1 c
ATOM 2042 H HD13 . LEU Axp A    123 ? 23.597 58.152 51.136 1   64.743  ? 123 A 1 c
ATOM 2043 H HD21 . LEU Axp A    123 ? 26.198 60.504 49.989 1   62.298  ? 123 A 1 c
ATOM 2044 H HD22 . LEU Axp A    123 ? 25.618 60.25  51.443 1   62.236  ? 123 A 1 c
ATOM 2045 H HD23 . LEU Axp A    123 ? 24.635 60.574 50.243 1   62.307  ? 123 A 1 c
ATOM 2046 N N    . SER Axp A    124 ? 29.212 56.66  52.054 1   73.85   ? 124 A 1 .
ATOM 2047 C CA   . SER Axp A    124 ? 30.101 56.24  53.122 1   84.21   ? 124 A 1 .
ATOM 2048 C C    . SER Axp A    124 ? 31.302 57.182 53.199 1   83.491  ? 124 A 1 .
ATOM 2049 O O    . SER Axp A    124 ? 31.79  57.493 54.288 1   70.854  ? 124 A 1 .
ATOM 2050 C CB   . SER Axp A    124 ? 30.557 54.81  52.919 1   95.773  ? 124 A 1 .
ATOM 2051 O OG   . SER Axp A    124 ? 31.606 54.732 51.957 1   106.588 ? 124 A 1 .
ATOM 2052 H H    . SER Axp A    124 ? 29.092 56.109 51.335 1   74.203  ? 124 A 1 c
ATOM 2053 H HA   . SER Axp A    124 ? 29.607 56.293 53.979 1   83.743  ? 124 A 1 c
ATOM 2054 H HB3  . SER Axp A    124 ? 29.802 54.27  52.618 1   95.274  ? 124 A 1 c
ATOM 2055 H HB2  . SER Axp A    124 ? 30.87  54.448 53.769 1   95.402  ? 124 A 1 c
ATOM 2056 H HG   . SER Axp A    124 ? 31.836 53.81  51.93  0   54.85   ? 124 A 1 c
ATOM 2057 N N    . LYS Axp A    125 ? 31.783 57.584 52.014 1   86.252  ? 125 A 1 .
ATOM 2058 C CA   . LYS Axp A    125 ? 33.026 58.315 51.868 1   85.577  ? 125 A 1 .
ATOM 2059 C C    . LYS Axp A    125 ? 32.723 59.795 51.749 1   69.491  ? 125 A 1 .
ATOM 2060 O O    . LYS Axp A    125 ? 33.633 60.592 51.918 1   66.454  ? 125 A 1 .
ATOM 2061 C CB   . LYS Axp A    125 ? 33.814 57.867 50.631 1   99.273  ? 125 A 1 .
ATOM 2062 C CG   . LYS Axp A    125 ? 34.189 56.386 50.635 1   112.839 ? 125 A 1 .
ATOM 2063 C CD   . LYS Axp A    125 ? 35.116 55.97  49.497 1   116.567 ? 125 A 1 .
ATOM 2064 C CE   . LYS Axp A    125 ? 34.368 55.809 48.207 1   119.906 ? 125 A 1 .
ATOM 2065 N NZ   . LYS Axp A    125 ? 35.274 55.511 47.094 1   113.76  ? 125 A 1 .
ATOM 2066 H H    . LYS Axp A    125 ? 31.32  57.368 51.256 1   84.913  ? 125 A 1 c
ATOM 2067 H HA   . LYS Axp A    125 ? 33.58  58.165 52.676 1   84.631  ? 125 A 1 c
ATOM 2068 H HB3  . LYS Axp A    125 ? 34.638 58.397 50.571 1   98.674  ? 125 A 1 c
ATOM 2069 H HB2  . LYS Axp A    125 ? 33.279 58.052 49.83  1   98.913  ? 125 A 1 c
ATOM 2070 H HG3  . LYS Axp A    125 ? 33.365 55.857 50.58  1   110.295 ? 125 A 1 c
ATOM 2071 H HG2  . LYS Axp A    125 ? 34.622 56.176 51.491 1   110.382 ? 125 A 1 c
ATOM 2072 H HD3  . LYS Axp A    125 ? 35.549 55.119 49.727 1   116.472 ? 125 A 1 c
ATOM 2073 H HD2  . LYS Axp A    125 ? 35.814 56.651 49.383 1   116.472 ? 125 A 1 c
ATOM 2074 H HE3  . LYS Axp A    125 ? 33.881 56.629 48.008 1   117.479 ? 125 A 1 c
ATOM 2075 H HE2  . LYS Axp A    125 ? 33.722 55.085 48.293 1   117.358 ? 125 A 1 c
ATOM 2076 H HZ1  . LYS Axp A    125 ? 35.677 54.712 47.234 1   115.618 ? 125 A 1 c
ATOM 2077 H HZ2  . LYS Axp A    125 ? 35.906 56.157 47.033 1   115.622 ? 125 A 1 c
ATOM 2078 H HZ3  . LYS Axp A    125 ? 34.806 55.478 46.319 1   115.618 ? 125 A 1 c
ATOM 2079 N N    . LEU Axp A    126 ? 31.457 60.135 51.474 1   56.91   ? 126 A 1 .
ATOM 2080 C CA   . LEU Axp A    126 ? 31.079 61.525 51.284 1   51.809  ? 126 A 1 .
ATOM 2081 C C    . LEU Axp A    126 ? 31.552 62.367 52.471 1   51.52   ? 126 A 1 .
ATOM 2082 O O    . LEU Axp A    126 ? 32.344 63.279 52.288 1   49.443  ? 126 A 1 .
ATOM 2083 C CB   . LEU Axp A    126 ? 29.58  61.666 51.02  1   49.353  ? 126 A 1 .
ATOM 2084 C CG   . LEU Axp A    126 ? 29.029 63.096 50.955 1   49.979  ? 126 A 1 .
ATOM 2085 C CD1  . LEU Axp A    126 ? 29.782 63.911 49.931 1   52.43   ? 126 A 1 .
ATOM 2086 C CD2  . LEU Axp A    126 ? 27.554 63.174 50.601 1   51.498  ? 126 A 1 .
ATOM 2087 H H    . LEU Axp A    126 ? 30.815 59.49  51.399 1   58.955  ? 126 A 1 c
ATOM 2088 H HA   . LEU Axp A    126 ? 31.564 61.851 50.484 1   52.229  ? 126 A 1 c
ATOM 2089 H HB3  . LEU Axp A    126 ? 29.088 61.17  51.711 1   50.199  ? 126 A 1 c
ATOM 2090 H HB2  . LEU Axp A    126 ? 29.382 61.223 50.162 1   50.077  ? 126 A 1 c
ATOM 2091 H HG   . LEU Axp A    126 ? 29.155 63.516 51.842 1   50.586  ? 126 A 1 c
ATOM 2092 H HD11 . LEU Axp A    126 ? 30.665 64.129 50.273 1   51.686  ? 126 A 1 c
ATOM 2093 H HD12 . LEU Axp A    126 ? 29.297 64.733 49.746 1   51.681  ? 126 A 1 c
ATOM 2094 H HD13 . LEU Axp A    126 ? 29.872 63.399 49.11  1   51.675  ? 126 A 1 c
ATOM 2095 H HD21 . LEU Axp A    126 ? 27.051 62.568 51.17  1   51.048  ? 126 A 1 c
ATOM 2096 H HD22 . LEU Axp A    126 ? 27.429 62.922 49.67  1   51.054  ? 126 A 1 c
ATOM 2097 H HD23 . LEU Axp A    126 ? 27.235 64.083 50.735 1   51.051  ? 126 A 1 c
ATOM 2098 N N    . PRO Axp A    127 ? 31.088 62.119 53.716 1   57.672  ? 127 A 1 .
ATOM 2099 C CA   . PRO Axp A    127 ? 31.449 62.922 54.877 1   56.657  ? 127 A 1 .
ATOM 2100 C C    . PRO Axp A    127 ? 32.924 63.19  55.084 1   55.55   ? 127 A 1 .
ATOM 2101 O O    . PRO Axp A    127 ? 33.278 64.224 55.634 1   51.651  ? 127 A 1 .
ATOM 2102 C CB   . PRO Axp A    127 ? 30.958 62.095 56.049 1   58.141  ? 127 A 1 .
ATOM 2103 C CG   . PRO Axp A    127 ? 29.677 61.555 55.446 1   60.537  ? 127 A 1 .
ATOM 2104 C CD   . PRO Axp A    127 ? 30.083 61.115 54.077 1   62.81   ? 127 A 1 .
ATOM 2105 H HA   . PRO Axp A    127 ? 30.963 63.773 54.848 1   56.915  ? 127 A 1 c
ATOM 2106 H HB3  . PRO Axp A    127 ? 30.781 62.65  56.833 1   58.401  ? 127 A 1 c
ATOM 2107 H HB2  . PRO Axp A    127 ? 31.583 61.376 56.27  1   58.33   ? 127 A 1 c
ATOM 2108 H HG3  . PRO Axp A    127 ? 28.992 62.25  55.397 1   60.504  ? 127 A 1 c
ATOM 2109 H HG2  . PRO Axp A    127 ? 29.332 60.805 55.963 1   60.523  ? 127 A 1 c
ATOM 2110 H HD3  . PRO Axp A    127 ? 30.472 60.219 54.087 1   61.018  ? 127 A 1 c
ATOM 2111 H HD2  . PRO Axp A    127 ? 29.328 61.136 53.467 1   60.832  ? 127 A 1 c
ATOM 2112 N N    . GLU Axp A    128 ? 33.767 62.245 54.678 1   63.74   ? 128 A 1 .
ATOM 2113 C CA   . GLU Axp A    128 ? 35.202 62.449 54.8   1   77.209  ? 128 A 1 .
ATOM 2114 C C    . GLU Axp A    128 ? 35.654 63.657 53.979 1   66.603  ? 128 A 1 .
ATOM 2115 O O    . GLU Axp A    128 ? 36.632 64.304 54.32  1   57.717  ? 128 A 1 .
ATOM 2116 C CB   . GLU Axp A    128 ? 36.013 61.206 54.429 1   92.048  ? 128 A 1 .
ATOM 2117 C CG   . GLU Axp A    128 ? 36.492 60.448 55.661 1   107.707 ? 128 A 1 .
ATOM 2118 C CD   . GLU Axp A    128 ? 37.288 59.18  55.397 1   120.382 ? 128 A 1 .
ATOM 2119 O OE1  . GLU Axp A    128 ? 38.415 59.314 54.862 1   112.328 ? 128 A 1 .
ATOM 2120 O OE2  . GLU Axp A    128 ? 36.796 58.072 55.736 1   123.515 ? 128 A 1 .
ATOM 2121 H H    . GLU Axp A    128 ? 33.453 61.459 54.334 1   64.563  ? 128 A 1 c
ATOM 2122 H HA   . GLU Axp A    128 ? 35.394 62.648 55.752 1   74.862  ? 128 A 1 c
ATOM 2123 H HB3  . GLU Axp A    128 ? 36.789 61.477 53.895 1   91.373  ? 128 A 1 c
ATOM 2124 H HB2  . GLU Axp A    128 ? 35.461 60.615 53.876 1   91.038  ? 128 A 1 c
ATOM 2125 H HG3  . GLU Axp A    128 ? 35.712 60.21  56.206 1   106.661 ? 128 A 1 c
ATOM 2126 H HG2  . GLU Axp A    128 ? 37.048 61.048 56.203 1   106.378 ? 128 A 1 c
ATOM 2127 N N    . MET Axp A    129 ? 34.942 63.947 52.891 1   68.233  ? 129 A 1 .
ATOM 2128 C CA   . MET Axp A    129 ? 35.296 65.029 51.987 1   68.951  ? 129 A 1 .
ATOM 2129 C C    . MET Axp A    129 ? 34.704 66.307 52.558 1   61.985  ? 129 A 1 .
ATOM 2130 O O    . MET Axp A    129 ? 35.439 67.233 52.894 1   58.876  ? 129 A 1 .
ATOM 2131 C CB   . MET Axp A    129 ? 34.721 64.806 50.575 1   72.821  ? 129 A 1 .
ATOM 2132 C CG   . MET Axp A    129 ? 34.606 63.347 50.162 1   75.11   ? 129 A 1 .
ATOM 2133 S SD   . MET Axp A    129 ? 34.146 63.123 48.433 1   77.258  ? 129 A 1 .
ATOM 2134 C CE   . MET Axp A    129 ? 34.888 61.506 48.167 1   83.047  ? 129 A 1 .
ATOM 2135 H H    . MET Axp A    129 ? 34.195 63.454 52.707 1   67.982  ? 129 A 1 c
ATOM 2136 H HA   . MET Axp A    129 ? 36.283 65.109 51.944 1   68.072  ? 129 A 1 c
ATOM 2137 H HB3  . MET Axp A    129 ? 35.298 65.269 49.931 1   72.374  ? 129 A 1 c
ATOM 2138 H HB2  . MET Axp A    129 ? 33.833 65.218 50.524 1   72.102  ? 129 A 1 c
ATOM 2139 H HG3  . MET Axp A    129 ? 33.937 62.907 50.714 1   74.574  ? 129 A 1 c
ATOM 2140 H HG2  . MET Axp A    129 ? 35.462 62.901 50.318 1   74.88   ? 129 A 1 c
ATOM 2141 H HE3  . MET Axp A    129 ? 34.604 60.899 48.875 1   81.564  ? 129 A 1 c
ATOM 2142 H HE2  . MET Axp A    129 ? 35.859 61.589 48.18  1   81.564  ? 129 A 1 c
ATOM 2143 H HE1  . MET Axp A    129 ? 34.602 61.156 47.303 1   81.564  ? 129 A 1 c
ATOM 2144 N N    . LEU Axp A    130 ? 33.368 66.29  52.681 1   54.867  ? 130 A 1 .
ATOM 2145 C CA   . LEU Axp A    130 ? 32.594 67.401 53.195 1   50.761  ? 130 A 1 .
ATOM 2146 C C    . LEU Axp A    130 ? 33.274 68.002 54.416 1   50.663  ? 130 A 1 .
ATOM 2147 O O    . LEU Axp A    130 ? 33.539 69.192 54.427 1   54.438  ? 130 A 1 .
ATOM 2148 C CB   . LEU Axp A    130 ? 31.189 66.923 53.525 1   48.418  ? 130 A 1 .
ATOM 2149 C CG   . LEU Axp A    130 ? 30.189 66.987 52.372 1   48.821  ? 130 A 1 .
ATOM 2150 C CD1  . LEU Axp A    130 ? 29.014 66.069 52.637 1   50.239  ? 130 A 1 .
ATOM 2151 C CD2  . LEU Axp A    130 ? 29.705 68.408 52.156 1   49.301  ? 130 A 1 .
ATOM 2152 H H    . LEU Axp A    130 ? 32.919 65.533 52.435 1   55.759  ? 130 A 1 c
ATOM 2153 H HA   . LEU Axp A    130 ? 32.544 68.094 52.489 1   51.078  ? 130 A 1 c
ATOM 2154 H HB3  . LEU Axp A    130 ? 30.842 67.47  54.267 1   49.066  ? 130 A 1 c
ATOM 2155 H HB2  . LEU Axp A    130 ? 31.245 65.992 53.842 1   49.131  ? 130 A 1 c
ATOM 2156 H HG   . LEU Axp A    130 ? 30.645 66.682 51.545 1   49.097  ? 130 A 1 c
ATOM 2157 H HD11 . LEU Axp A    130 ? 29.321 65.27  53.095 1   49.807  ? 130 A 1 c
ATOM 2158 H HD12 . LEU Axp A    130 ? 28.601 65.819 51.793 1   49.818  ? 130 A 1 c
ATOM 2159 H HD13 . LEU Axp A    130 ? 28.361 66.527 53.192 1   49.808  ? 130 A 1 c
ATOM 2160 H HD21 . LEU Axp A    130 ? 30.458 69.021 52.204 1   49.307  ? 130 A 1 c
ATOM 2161 H HD22 . LEU Axp A    130 ? 29.057 68.639 52.842 1   49.36   ? 130 A 1 c
ATOM 2162 H HD23 . LEU Axp A    130 ? 29.287 68.479 51.281 1   49.226  ? 130 A 1 c
ATOM 2163 N N    . LYS Axp A    131 ? 33.595 67.173 55.409 1   52.167  ? 131 A 1 .
ATOM 2164 C CA   . LYS Axp A    131 ? 34.207 67.645 56.639 1   55.06   ? 131 A 1 .
ATOM 2165 C C    . LYS Axp A    131 ? 35.431 68.509 56.358 1   47.56   ? 131 A 1 .
ATOM 2166 O O    . LYS Axp A    131 ? 35.59  69.573 56.946 1   46.45   ? 131 A 1 .
ATOM 2167 C CB   . LYS Axp A    131 ? 34.658 66.488 57.537 1   65.579  ? 131 A 1 .
ATOM 2168 C CG   . LYS Axp A    131 ? 34.675 66.868 59.014 1   77.547  ? 131 A 1 .
ATOM 2169 C CD   . LYS Axp A    131 ? 35.295 65.852 59.966 1   83.243  ? 131 A 1 .
ATOM 2170 C CE   . LYS Axp A    131 ? 36.754 66.086 60.135 1   89.433  ? 131 A 1 .
ATOM 2171 N NZ   . LYS Axp A    131 ? 37.013 67.473 60.535 1   93.017  ? 131 A 1 .
ATOM 2172 H H    . LYS Axp A    131 ? 33.424 66.279 55.317 1   52.616  ? 131 A 1 c
ATOM 2173 H HA   . LYS Axp A    131 ? 33.54  68.191 57.129 1   54.859  ? 131 A 1 c
ATOM 2174 H HB3  . LYS Axp A    131 ? 35.558 66.199 57.273 1   65.225  ? 131 A 1 c
ATOM 2175 H HB2  . LYS Axp A    131 ? 34.049 65.729 57.417 1   65.266  ? 131 A 1 c
ATOM 2176 H HG3  . LYS Axp A    131 ? 33.75  67.03  59.295 1   75.758  ? 131 A 1 c
ATOM 2177 H HG2  . LYS Axp A    131 ? 35.15  67.72  59.101 1   76.029  ? 131 A 1 c
ATOM 2178 H HD3  . LYS Axp A    131 ? 35.152 64.947 59.613 1   83.315  ? 131 A 1 c
ATOM 2179 H HD2  . LYS Axp A    131 ? 34.854 65.916 60.841 1   83.355  ? 131 A 1 c
ATOM 2180 H HE3  . LYS Axp A    131 ? 37.215 65.904 59.297 1   88.789  ? 131 A 1 c
ATOM 2181 H HE2  . LYS Axp A    131 ? 37.107 65.486 60.816 1   88.789  ? 131 A 1 c
ATOM 2182 H HZ1  . LYS Axp A    131 ? 36.325 67.801 61.027 1   91.491  ? 131 A 1 c
ATOM 2183 H HZ2  . LYS Axp A    131 ? 37.135 67.984 59.799 1   91.441  ? 131 A 1 c
ATOM 2184 H HZ3  . LYS Axp A    131 ? 37.767 67.503 61.037 1   91.734  ? 131 A 1 c
ATOM 2185 N N    . MET Axp A    132 ? 36.313 68.021 55.485 1   45.981  ? 132 A 1 .
ATOM 2186 C CA   . MET Axp A    132 ? 37.501 68.776 55.11  1   45.413  ? 132 A 1 .
ATOM 2187 C C    . MET Axp A    132 ? 37.104 70.23  54.813 1   44.098  ? 132 A 1 .
ATOM 2188 O O    . MET Axp A    132 ? 37.769 71.154 55.26  1   43.778  ? 132 A 1 .
ATOM 2189 C CB   . MET Axp A    132 ? 38.247 68.165 53.912 1   40.516  ? 132 A 1 .
ATOM 2190 C CG   . MET Axp A    132 ? 38.523 66.694 54.007 0.5 37.238  ? 132 A 1 .
ATOM 2191 S SD   . MET Axp A    132 ? 39.493 66.234 52.565 0.5 33.707  ? 132 A 1 .
ATOM 2192 C CE   . MET Axp A    132 ? 40.566 65.052 53.382 0.5 34.988  ? 132 A 1 .
ATOM 2193 H H    . MET Axp A    132 ? 36.17  67.199 55.111 1   46.124  ? 132 A 1 c
ATOM 2194 H HA   . MET Axp A    132 ? 38.109 68.783 55.893 1   44.354  ? 132 A 1 c
ATOM 2195 H HB3  . MET Axp A    132 ? 39.101 68.637 53.81  1   40.75   ? 132 A 1 c
ATOM 2196 H HB2  . MET Axp A    132 ? 37.721 68.334 53.102 1   40.864  ? 132 A 1 c
ATOM 2197 H HG3  . MET Axp A    132 ? 37.69  66.194 54.014 0.5 37.534  ? 132 A 1 c
ATOM 2198 H HG2  . MET Axp A    132 ? 39.024 66.492 54.823 0.5 37.341  ? 132 A 1 c
ATOM 2199 H HE3  . MET Axp A    132 ? 40.184 64.158 53.304 0.5 34.664  ? 132 A 1 c
ATOM 2200 H HE2  . MET Axp A    132 ? 40.652 65.288 54.324 0.5 34.664  ? 132 A 1 c
ATOM 2201 H HE1  . MET Axp A    132 ? 41.445 65.068 52.962 0.5 34.666  ? 132 A 1 c
ATOM 2202 N N    . PHE Axp A    133 ? 36.006 70.444 54.083 1   43.081  ? 133 A 1 .
ATOM 2203 C CA   . PHE Axp A    133 ? 35.52  71.789 53.827 1   42.414  ? 133 A 1 .
ATOM 2204 C C    . PHE Axp A    133 ? 35.086 72.443 55.129 1   44.307  ? 133 A 1 .
ATOM 2205 O O    . PHE Axp A    133 ? 35.508 73.548 55.44  1   47.968  ? 133 A 1 .
ATOM 2206 C CB   . PHE Axp A    133 ? 34.339 71.824 52.857 1   43.334  ? 133 A 1 .
ATOM 2207 C CG   . PHE Axp A    133 ? 34.76  71.612 51.414 1   42.386  ? 133 A 1 .
ATOM 2208 C CD1  . PHE Axp A    133 ? 35.481 72.592 50.756 1   44.854  ? 133 A 1 .
ATOM 2209 C CD2  . PHE Axp A    133 ? 34.434 70.454 50.725 1   43.118  ? 133 A 1 .
ATOM 2210 C CE1  . PHE Axp A    133 ? 35.885 72.405 49.447 1   47.829  ? 133 A 1 .
ATOM 2211 C CE2  . PHE Axp A    133 ? 34.838 70.278 49.416 1   47.938  ? 133 A 1 .
ATOM 2212 C CZ   . PHE Axp A    133 ? 35.565 71.252 48.779 1   47.681  ? 133 A 1 .
ATOM 2213 H H    . PHE Axp A    133 ? 35.553 69.735 53.728 1   43.255  ? 133 A 1 c
ATOM 2214 H HA   . PHE Axp A    133 ? 36.263 72.322 53.438 1   43.094  ? 133 A 1 c
ATOM 2215 H HB3  . PHE Axp A    133 ? 33.892 72.696 52.934 1   43.013  ? 133 A 1 c
ATOM 2216 H HB2  . PHE Axp A    133 ? 33.697 71.126 53.111 1   43.003  ? 133 A 1 c
ATOM 2217 H HD1  . PHE Axp A    133 ? 35.716 73.384 51.211 1   44.961  ? 133 A 1 c
ATOM 2218 H HD2  . PHE Axp A    133 ? 33.943 69.775 51.16  1   44.074  ? 133 A 1 c
ATOM 2219 H HE1  . PHE Axp A    133 ? 36.381 73.077 49.01  1   47.172  ? 133 A 1 c
ATOM 2220 H HE2  . PHE Axp A    133 ? 34.615 69.484 48.959 1   46.629  ? 133 A 1 c
ATOM 2221 H HZ   . PHE Axp A    133 ? 35.834 71.133 47.883 1   47.563  ? 133 A 1 c
ATOM 2222 N N    . GLU Axp A    134 ? 34.231 71.755 55.878 1   47.664  ? 134 A 1 .
ATOM 2223 C CA   . GLU Axp A    134 ? 33.798 72.241 57.173 1   48.356  ? 134 A 1 .
ATOM 2224 C C    . GLU Axp A    134 ? 34.966 72.921 57.892 1   53.362  ? 134 A 1 .
ATOM 2225 O O    . GLU Axp A    134 ? 34.915 74.113 58.194 1   60.481  ? 134 A 1 .
ATOM 2226 C CB   . GLU Axp A    134 ? 33.257 71.035 57.927 1   49.716  ? 134 A 1 .
ATOM 2227 C CG   . GLU Axp A    134 ? 32.627 71.403 59.257 1   54.095  ? 134 A 1 .
ATOM 2228 C CD   . GLU Axp A    134 ? 31.34  72.143 59.029 1   57.268  ? 134 A 1 .
ATOM 2229 O OE1  . GLU Axp A    134 ? 30.393 71.593 58.452 1   60.679  ? 134 A 1 .
ATOM 2230 O OE2  . GLU Axp A    134 ? 31.289 73.299 59.442 1   61.055  ? 134 A 1 .
ATOM 2231 H H    . GLU Axp A    134 ? 33.901 70.96  55.57  1   46.964  ? 134 A 1 c
ATOM 2232 H HA   . GLU Axp A    134 ? 33.074 72.903 57.034 1   49.374  ? 134 A 1 c
ATOM 2233 H HB3  . GLU Axp A    134 ? 33.986 70.408 58.097 1   50.404  ? 134 A 1 c
ATOM 2234 H HB2  . GLU Axp A    134 ? 32.593 70.58  57.368 1   50.428  ? 134 A 1 c
ATOM 2235 H HG3  . GLU Axp A    134 ? 33.24  71.968 59.773 1   53.816  ? 134 A 1 c
ATOM 2236 H HG2  . GLU Axp A    134 ? 32.443 70.588 59.772 1   53.782  ? 134 A 1 c
ATOM 2237 N N    . ASP Axp A    135 ? 36.055 72.171 58.108 1   54.861  ? 135 A 1 .
ATOM 2238 C CA   . ASP Axp A    135 ? 37.253 72.668 58.777 1   56.807  ? 135 A 1 .
ATOM 2239 C C    . ASP Axp A    135 ? 37.879 73.882 58.087 1   54.537  ? 135 A 1 .
ATOM 2240 O O    . ASP Axp A    135 ? 38.645 74.611 58.712 1   57.815  ? 135 A 1 .
ATOM 2241 C CB   . ASP Axp A    135 ? 38.312 71.585 58.859 1   62.179  ? 135 A 1 .
ATOM 2242 C CG   . ASP Axp A    135 ? 38.026 70.509 59.888 1   65.699  ? 135 A 1 .
ATOM 2243 O OD1  . ASP Axp A    135 ? 36.901 69.964 59.879 1   62.221  ? 135 A 1 .
ATOM 2244 O OD2  . ASP Axp A    135 ? 38.931 70.249 60.693 1   82.355  ? 135 A 1 .
ATOM 2245 H H    . ASP Axp A    135 ? 36.053 71.304 57.818 1   54.866  ? 135 A 1 c
ATOM 2246 H HA   . ASP Axp A    135 ? 37.008 72.923 59.696 1   56.996  ? 135 A 1 c
ATOM 2247 H HB3  . ASP Axp A    135 ? 39.174 71.996 59.079 1   61.731  ? 135 A 1 c
ATOM 2248 H HB2  . ASP Axp A    135 ? 38.396 71.157 57.982 1   61.649  ? 135 A 1 c
ATOM 2249 N N    . ARG Axp A    136 ? 37.597 74.073 56.797 1   52.648  ? 136 A 1 .
ATOM 2250 C CA   . ARG Axp A    136 ? 38.138 75.197 56.052 1   51.794  ? 136 A 1 .
ATOM 2251 C C    . ARG Axp A    136 ? 37.355 76.443 56.437 1   53.386  ? 136 A 1 .
ATOM 2252 O O    . ARG Axp A    136 ? 37.957 77.45  56.818 1   58.63   ? 136 A 1 .
ATOM 2253 C CB   . ARG Axp A    136 ? 38.048 74.91  54.549 1   53.275  ? 136 A 1 .
ATOM 2254 C CG   . ARG Axp A    136 ? 38.534 75.977 53.58  1   51.032  ? 136 A 1 .
ATOM 2255 C CD   . ARG Axp A    136 ? 40.029 76.019 53.461 1   49.446  ? 136 A 1 .
ATOM 2256 N NE   . ARG Axp A    136 ? 40.452 77.116 52.582 1   48.587  ? 136 A 1 .
ATOM 2257 C CZ   . ARG Axp A    136 ? 41.67  77.24  52.061 1   52.63   ? 136 A 1 .
ATOM 2258 N NH1  . ARG Axp A    136 ? 42.523 76.233 52.106 1   55.957  ? 136 A 1 .
ATOM 2259 N NH2  . ARG Axp A    136 ? 42.027 78.355 51.457 1   52.293  ? 136 A 1 .
ATOM 2260 H H    . ARG Axp A    136 ? 37.072 73.47  56.357 1   52.875  ? 136 A 1 c
ATOM 2261 H HA   . ARG Axp A    136 ? 39.088 75.32  56.306 1   52.588  ? 136 A 1 c
ATOM 2262 H HB3  . ARG Axp A    136 ? 37.111 74.721 54.336 1   52.379  ? 136 A 1 c
ATOM 2263 H HB2  . ARG Axp A    136 ? 38.554 74.089 54.372 1   52.391  ? 136 A 1 c
ATOM 2264 H HG3  . ARG Axp A    136 ? 38.214 76.856 53.878 1   51.158  ? 136 A 1 c
ATOM 2265 H HG2  . ARG Axp A    136 ? 38.15  75.804 52.694 1   51.158  ? 136 A 1 c
ATOM 2266 H HD3  . ARG Axp A    136 ? 40.348 75.168 53.099 1   49.665  ? 136 A 1 c
ATOM 2267 H HD2  . ARG Axp A    136 ? 40.425 76.143 54.348 1   49.611  ? 136 A 1 c
ATOM 2268 H HE   . ARG Axp A    136 ? 39.867 77.731 52.385 1   49.754  ? 136 A 1 c
ATOM 2269 H HH11 . ARG Axp A    136 ? 42.274 75.429 51.837 1   54.833  ? 136 A 1 c
ATOM 2270 H HH12 . ARG Axp A    136 ? 43.345 76.374 52.397 1   54.894  ? 136 A 1 c
ATOM 2271 H HH21 . ARG Axp A    136 ? 41.491 78.719 50.855 1   52.396  ? 136 A 1 c
ATOM 2272 H HH22 . ARG Axp A    136 ? 42.801 78.734 51.656 1   52.396  ? 136 A 1 c
ATOM 2273 N N    . LEU Axp A    137 ? 36.018 76.326 56.359 1   53.383  ? 137 A 1 .
ATOM 2274 C CA   . LEU Axp A    137 ? 35.097 77.418 56.631 1   59.226  ? 137 A 1 .
ATOM 2275 C C    . LEU Axp A    137 ? 34.977 77.704 58.13  1   69.674  ? 137 A 1 .
ATOM 2276 O O    . LEU Axp A    137 ? 34.086 78.433 58.554 1   72.274  ? 137 A 1 .
ATOM 2277 C CB   . LEU Axp A    137 ? 33.743 77.051 56.025 1   51.41   ? 137 A 1 .
ATOM 2278 C CG   . LEU Axp A    137 ? 33.639 77.223 54.513 1   54.205  ? 137 A 1 .
ATOM 2279 C CD1  . LEU Axp A    137 ? 32.251 76.748 54.093 1   60.111  ? 137 A 1 .
ATOM 2280 C CD2  . LEU Axp A    137 ? 33.894 78.691 54.059 1   58.935  ? 137 A 1 .
ATOM 2281 H H    . LEU Axp A    137 ? 35.667 75.517 56.117 1   54.591  ? 137 A 1 c
ATOM 2282 H HA   . LEU Axp A    137 ? 35.444 78.232 56.185 1   58.251  ? 137 A 1 c
ATOM 2283 H HB3  . LEU Axp A    137 ? 33.052 77.61  56.448 1   53.921  ? 137 A 1 c
ATOM 2284 H HB2  . LEU Axp A    137 ? 33.547 76.112 56.248 1   53.809  ? 137 A 1 c
ATOM 2285 H HG   . LEU Axp A    137 ? 34.314 76.638 54.083 1   55.552  ? 137 A 1 c
ATOM 2286 H HD11 . LEU Axp A    137 ? 32.152 75.807 54.309 1   58.257  ? 137 A 1 c
ATOM 2287 H HD12 . LEU Axp A    137 ? 32.14  76.874 53.136 1   58.193  ? 137 A 1 c
ATOM 2288 H HD13 . LEU Axp A    137 ? 31.576 77.262 54.567 1   58.198  ? 137 A 1 c
ATOM 2289 H HD21 . LEU Axp A    137 ? 34.849 78.84  53.963 1   57.539  ? 137 A 1 c
ATOM 2290 H HD22 . LEU Axp A    137 ? 33.537 79.303 54.724 1   57.535  ? 137 A 1 c
ATOM 2291 H HD23 . LEU Axp A    137 ? 33.455 78.849 53.206 1   57.55   ? 137 A 1 c
ATOM 2292 N N    . CYS Axp A    138 ? 35.857 77.134 58.951 1   73.88   ? 138 A 1 .
ATOM 2293 C CA   . CYS Axp A    138 ? 35.747 77.356 60.377 1   74.865  ? 138 A 1 .
ATOM 2294 C C    . CYS Axp A    138 ? 35.988 78.834 60.698 1   79.145  ? 138 A 1 .
ATOM 2295 O O    . CYS Axp A    138 ? 35.13  79.484 61.285 1   82.243  ? 138 A 1 .
ATOM 2296 C CB   . CYS Axp A    138 ? 36.671 76.418 61.129 1   73.598  ? 138 A 1 .
ATOM 2297 S SG   . CYS Axp A    138 ? 36.331 76.448 62.902 1   86.775  ? 138 A 1 .
ATOM 2298 H H    . CYS Axp A    138 ? 36.526 76.602 58.631 1   72.621  ? 138 A 1 c
ATOM 2299 H HA   . CYS Axp A    138 ? 34.819 77.132 60.644 1   75.235  ? 138 A 1 c
ATOM 2300 H HB3  . CYS Axp A    138 ? 37.605 76.685 60.979 1   76.243  ? 138 A 1 c
ATOM 2301 H HB2  . CYS Axp A    138 ? 36.553 75.501 60.796 1   76.243  ? 138 A 1 c
ATOM 2302 H HG   . CYS Axp A    138 ? 36.861 75.262 63.044 0   58.52   ? 138 A 1 c
ATOM 2303 N N    . HIS Axp A    139 ? 37.144 79.379 60.297 1   80.849  ? 139 A 1 .
ATOM 2304 C CA   . HIS Axp A    139 ? 37.487 80.762 60.605 1   79.161  ? 139 A 1 .
ATOM 2305 C C    . HIS Axp A    139 ? 37.612 81.525 59.296 1   75.256  ? 139 A 1 .
ATOM 2306 O O    . HIS Axp A    139 ? 38.573 82.247 59.051 1   81.428  ? 139 A 1 .
ATOM 2307 C CB   . HIS Axp A    139 ? 38.755 80.843 61.463 1   83.589  ? 139 A 1 .
ATOM 2308 C CG   . HIS Axp A    139 ? 38.52  80.367 62.85  1   92.504  ? 139 A 1 .
ATOM 2309 N ND1  . HIS Axp A    139 ? 37.498 80.847 63.642 1   104.641 ? 139 A 1 .
ATOM 2310 C CD2  . HIS Axp A    139 ? 39.169 79.46  63.58  1   90.969  ? 139 A 1 .
ATOM 2311 C CE1  . HIS Axp A    139 ? 37.527 80.224 64.81  1   103.874 ? 139 A 1 .
ATOM 2312 N NE2  . HIS Axp A    139 ? 38.543 79.385 64.797 1   99.921  ? 139 A 1 .
ATOM 2313 H H    . HIS Axp A    139 ? 37.736 78.873 59.818 1   79.985  ? 139 A 1 c
ATOM 2314 H HA   . HIS Axp A    139 ? 36.742 81.16  61.117 1   79.718  ? 139 A 1 c
ATOM 2315 H HB3  . HIS Axp A    139 ? 39.062 81.775 61.492 1   84.487  ? 139 A 1 c
ATOM 2316 H HB2  . HIS Axp A    139 ? 39.456 80.296 61.048 1   84.54   ? 139 A 1 c
ATOM 2317 H HD1  . HIS Axp A    139 ? 36.99  81.16  63.482 0   63.84   ? 139 A 1 c
ATOM 2318 H HD2  . HIS Axp A    139 ? 39.915 78.957 63.316 1   93.351  ? 139 A 1 c
ATOM 2319 H HE1  . HIS Axp A    139 ? 36.941 80.374 65.532 1   102.933 ? 139 A 1 c
ATOM 2320 H HE2  . HIS Axp A    139 ? 38.63  78.255 65.32  0   65.58   ? 139 A 1 c
ATOM 2321 N N    . LYS Axp A    140 ? 36.618 81.326 58.445 1   68.905  ? 140 A 1 .
ATOM 2322 C CA   . LYS Axp A    140 ? 36.621 81.929 57.133 1   71.622  ? 140 A 1 .
ATOM 2323 C C    . LYS Axp A    140 ? 35.172 82.03  56.684 1   68.753  ? 140 A 1 .
ATOM 2324 O O    . LYS Axp A    140 ? 34.353 81.202 57.045 1   65.48   ? 140 A 1 .
ATOM 2325 C CB   . LYS Axp A    140 ? 37.445 81.076 56.165 1   75.546  ? 140 A 1 .
ATOM 2326 C CG   . LYS Axp A    140 ? 38.946 81.02  56.407 1   74.753  ? 140 A 1 .
ATOM 2327 C CD   . LYS Axp A    140 ? 39.695 80.425 55.222 1   75.412  ? 140 A 1 .
ATOM 2328 C CE   . LYS Axp A    140 ? 41.17  80.635 55.278 1   78.703  ? 140 A 1 .
ATOM 2329 N NZ   . LYS Axp A    140 ? 41.76  79.751 56.281 1   81.702  ? 140 A 1 .
ATOM 2330 H H    . LYS Axp A    140 ? 35.908 80.806 58.69  1   71.13   ? 140 A 1 c
ATOM 2331 H HA   . LYS Axp A    140 ? 37.007 82.839 57.197 1   71.239  ? 140 A 1 c
ATOM 2332 H HB3  . LYS Axp A    140 ? 37.296 81.416 55.257 1   74.438  ? 140 A 1 c
ATOM 2333 H HB2  . LYS Axp A    140 ? 37.098 80.159 56.194 1   74.451  ? 140 A 1 c
ATOM 2334 H HG3  . LYS Axp A    140 ? 39.12  80.474 57.204 1   75.162  ? 140 A 1 c
ATOM 2335 H HG2  . LYS Axp A    140 ? 39.276 81.929 56.576 1   75.151  ? 140 A 1 c
ATOM 2336 H HD3  . LYS Axp A    140 ? 39.35  80.827 54.395 1   76.01   ? 140 A 1 c
ATOM 2337 H HD2  . LYS Axp A    140 ? 39.512 79.462 55.183 1   76.043  ? 140 A 1 c
ATOM 2338 H HE3  . LYS Axp A    140 ? 41.366 81.56  55.509 1   78.607  ? 140 A 1 c
ATOM 2339 H HE2  . LYS Axp A    140 ? 41.565 80.443 54.409 1   78.625  ? 140 A 1 c
ATOM 2340 H HZ1  . LYS Axp A    140 ? 41.564 78.888 56.088 1   80.685  ? 140 A 1 c
ATOM 2341 H HZ2  . LYS Axp A    140 ? 41.437 79.954 57.103 1   80.683  ? 140 A 1 c
ATOM 2342 H HZ3  . LYS Axp A    140 ? 42.66  79.855 56.285 1   80.736  ? 140 A 1 c
ATOM 2343 N N    . THR Axp A    141 ? 34.864 83.08  55.934 1   66.498  ? 141 A 1 .
ATOM 2344 C CA   . THR Axp A    141 ? 33.517 83.318 55.463 1   60.753  ? 141 A 1 .
ATOM 2345 C C    . THR Axp A    141 ? 33.312 82.553 54.174 1   56.106  ? 141 A 1 .
ATOM 2346 O O    . THR Axp A    141 ? 32.214 82.089 53.912 1   56.888  ? 141 A 1 .
ATOM 2347 C CB   . THR Axp A    141 ? 33.348 84.805 55.2   1   67.251  ? 141 A 1 .
ATOM 2348 O OG1  . THR Axp A    141 ? 33.978 85.478 56.283 1   74.434  ? 141 A 1 .
ATOM 2349 C CG2  . THR Axp A    141 ? 31.891 85.195 55.087 1   72.375  ? 141 A 1 .
ATOM 2350 H H    . THR Axp A    141 ? 35.519 83.676 55.709 1   65.66   ? 141 A 1 c
ATOM 2351 H HA   . THR Axp A    141 ? 32.869 83.022 56.14  1   62.184  ? 141 A 1 c
ATOM 2352 H HB   . THR Axp A    141 ? 33.808 85.044 54.36  1   68.181  ? 141 A 1 c
ATOM 2353 H HG1  . THR Axp A    141 ? 33.707 85.46  56.949 0   39.32   ? 141 A 1 c
ATOM 2354 H HG21 . THR Axp A    141 ? 31.798 86.151 55.235 1   70.693  ? 141 A 1 c
ATOM 2355 H HG22 . THR Axp A    141 ? 31.373 84.713 55.753 1   70.455  ? 141 A 1 c
ATOM 2356 H HG23 . THR Axp A    141 ? 31.566 84.973 54.198 1   70.542  ? 141 A 1 c
ATOM 2357 N N    . TYR Axp A    142 ? 34.371 82.502 53.36  1   52.65   ? 142 A 1 .
ATOM 2358 C CA   . TYR Axp A    142 ? 34.354 81.751 52.121 1   55.704  ? 142 A 1 .
ATOM 2359 C C    . TYR Axp A    142 ? 35.66  80.974 52.013 1   52.651  ? 142 A 1 .
ATOM 2360 O O    . TYR Axp A    142 ? 36.663 81.391 52.575 1   55.881  ? 142 A 1 .
ATOM 2361 C CB   . TYR Axp A    142 ? 34.131 82.716 50.949 1   58.187  ? 142 A 1 .
ATOM 2362 C CG   . TYR Axp A    142 ? 32.862 83.569 50.98  1   52.34   ? 142 A 1 .
ATOM 2363 C CD1  . TYR Axp A    142 ? 31.595 83.021 50.81  1   48.489  ? 142 A 1 .
ATOM 2364 C CD2  . TYR Axp A    142 ? 32.948 84.944 51.082 1   49.47   ? 142 A 1 .
ATOM 2365 C CE1  . TYR Axp A    142 ? 30.455 83.806 50.819 1   47.172  ? 142 A 1 .
ATOM 2366 C CE2  . TYR Axp A    142 ? 31.822 85.743 51.068 1   50.559  ? 142 A 1 .
ATOM 2367 C CZ   . TYR Axp A    142 ? 30.571 85.178 50.948 1   49.324  ? 142 A 1 .
ATOM 2368 O OH   . TYR Axp A    142 ? 29.518 86.05  50.965 1   52.506  ? 142 A 1 .
ATOM 2369 H H    . TYR Axp A    142 ? 35.128 82.965 53.578 1   54.344  ? 142 A 1 c
ATOM 2370 H HA   . TYR Axp A    142 ? 33.601 81.104 52.148 1   54.872  ? 142 A 1 c
ATOM 2371 H HB3  . TYR Axp A    142 ? 34.129 82.192 50.123 1   56.212  ? 142 A 1 c
ATOM 2372 H HB2  . TYR Axp A    142 ? 34.908 83.318 50.901 1   56.156  ? 142 A 1 c
ATOM 2373 H HD1  . TYR Axp A    142 ? 31.505 82.088 50.729 1   48.958  ? 142 A 1 c
ATOM 2374 H HD2  . TYR Axp A    142 ? 33.797 85.348 51.173 1   50.627  ? 142 A 1 c
ATOM 2375 H HE1  . TYR Axp A    142 ? 29.606 83.411 50.727 1   48.122  ? 142 A 1 c
ATOM 2376 H HE2  . TYR Axp A    142 ? 31.906 86.676 51.17  1   50.037  ? 142 A 1 c
ATOM 2377 H HH   . TYR Axp A    142 ? 28.694 85.507 50.983 0   34.06   ? 142 A 1 c
ATOM 2378 N N    . LEU Axp A    143 ? 35.642 79.899 51.222 1   52.035  ? 143 A 1 .
ATOM 2379 C CA   . LEU Axp A    143 ? 36.75  78.969 51.079 1   56.529  ? 143 A 1 .
ATOM 2380 C C    . LEU Axp A    143 ? 38.11  79.65  50.934 1   59.385  ? 143 A 1 .
ATOM 2381 O O    . LEU Axp A    143 ? 39.122 78.963 51.083 1   48.073  ? 143 A 1 .
ATOM 2382 C CB   . LEU Axp A    143 ? 36.498 78.072 49.87  1   58.564  ? 143 A 1 .
ATOM 2383 C CG   . LEU Axp A    143 ? 35.72  76.786 50.146 1   60.586  ? 143 A 1 .
ATOM 2384 C CD1  . LEU Axp A    143 ? 34.305 77.064 50.535 1   62.204  ? 143 A 1 .
ATOM 2385 C CD2  . LEU Axp A    143 ? 35.731 75.924 48.91  1   68.266  ? 143 A 1 .
ATOM 2386 H H    . LEU Axp A    143 ? 34.888 79.747 50.73  1   53.393  ? 143 A 1 c
ATOM 2387 H HA   . LEU Axp A    143 ? 36.777 78.404 51.893 1   56.492  ? 143 A 1 c
ATOM 2388 H HB3  . LEU Axp A    143 ? 37.368 77.832 49.479 1   58.365  ? 143 A 1 c
ATOM 2389 H HB2  . LEU Axp A    143 ? 36.01  78.593 49.192 1   58.427  ? 143 A 1 c
ATOM 2390 H HG   . LEU Axp A    143 ? 36.166 76.296 50.884 1   61.872  ? 143 A 1 c
ATOM 2391 H HD11 . LEU Axp A    143 ? 34.285 77.72  51.25  1   61.435  ? 143 A 1 c
ATOM 2392 H HD12 . LEU Axp A    143 ? 33.89  76.244 50.845 1   61.192  ? 143 A 1 c
ATOM 2393 H HD13 . LEU Axp A    143 ? 33.816 77.406 49.768 1   61.526  ? 143 A 1 c
ATOM 2394 H HD21 . LEU Axp A    143 ? 36.393 75.221 49.012 1   65.131  ? 143 A 1 c
ATOM 2395 H HD22 . LEU Axp A    143 ? 35.953 76.466 48.134 1   65.456  ? 143 A 1 c
ATOM 2396 H HD23 . LEU Axp A    143 ? 34.855 75.524 48.782 1   65.122  ? 143 A 1 c
ATOM 2397 N N    . ASN Axp A    144 ? 38.16  80.957 50.617 1   65.722  ? 144 A 1 .
ATOM 2398 C CA   . ASN Axp A    144 ? 39.455 81.601 50.457 1   63.699  ? 144 A 1 .
ATOM 2399 C C    . ASN Axp A    144 ? 39.642 82.82  51.366 1   65.912  ? 144 A 1 .
ATOM 2400 O O    . ASN Axp A    144 ? 40.779 83.186 51.64  1   59.99   ? 144 A 1 .
ATOM 2401 C CB   . ASN Axp A    144 ? 39.723 81.913 48.992 1   64.979  ? 144 A 1 .
ATOM 2402 C CG   . ASN Axp A    144 ? 41.198 81.905 48.645 1   63.604  ? 144 A 1 .
ATOM 2403 O OD1  . ASN Axp A    144 ? 41.906 80.949 48.961 1   59.975  ? 144 A 1 .
ATOM 2404 N ND2  . ASN Axp A    144 ? 41.691 82.935 47.974 1   61.055  ? 144 A 1 .
ATOM 2405 H H    . ASN Axp A    144 ? 37.397 81.432 50.455 1   63.615  ? 144 A 1 c
ATOM 2406 H HA   . ASN Axp A    144 ? 40.137 80.949 50.73  1   64.534  ? 144 A 1 c
ATOM 2407 H HB3  . ASN Axp A    144 ? 39.349 82.791 48.777 1   64.315  ? 144 A 1 c
ATOM 2408 H HB2  . ASN Axp A    144 ? 39.267 81.248 48.44  1   64.148  ? 144 A 1 c
ATOM 2409 H HD21 . ASN Axp A    144 ? 42.504 83.237 48.161 1   61.829  ? 144 A 1 c
ATOM 2410 H HD22 . ASN Axp A    144 ? 41.207 83.322 47.34  1   61.829  ? 144 A 1 c
ATOM 2411 N N    . GLY Axp A    145 ? 38.57  83.441 51.87  1   71.03   ? 145 A 1 .
ATOM 2412 C CA   . GLY Axp A    145 ? 38.731 84.509 52.846 1   72.864  ? 145 A 1 .
ATOM 2413 C C    . GLY Axp A    145 ? 37.454 85.323 53.014 1   76.661  ? 145 A 1 .
ATOM 2414 O O    . GLY Axp A    145 ? 36.403 84.751 53.282 1   80.875  ? 145 A 1 .
ATOM 2415 H H    . GLY Axp A    145 ? 37.729 83.206 51.599 1   70.117  ? 145 A 1 c
ATOM 2416 H HA3  . GLY Axp A    145 ? 39.463 85.103 52.557 1   73.148  ? 145 A 1 c
ATOM 2417 H HA2  . GLY Axp A    145 ? 38.985 84.115 53.714 1   73.23   ? 145 A 1 c
ATOM 2418 N N    . ASP Axp A    146 ? 37.555 86.652 52.863 1   74.695  ? 146 A 1 .
ATOM 2419 C CA   . ASP Axp A    146 ? 36.379 87.506 52.901 1   76.283  ? 146 A 1 .
ATOM 2420 C C    . ASP Axp A    146 ? 35.848 87.693 51.493 1   82.647  ? 146 A 1 .
ATOM 2421 O O    . ASP Axp A    146 ? 34.651 87.869 51.313 1   92.347  ? 146 A 1 .
ATOM 2422 C CB   . ASP Axp A    146 ? 36.655 88.863 53.515 1   78.602  ? 146 A 1 .
ATOM 2423 C CG   . ASP Axp A    146 ? 36.883 88.811 55.013 1   87.677  ? 146 A 1 .
ATOM 2424 O OD1  . ASP Axp A    146 ? 35.952 88.397 55.733 1   79.001  ? 146 A 1 .
ATOM 2425 O OD2  . ASP Axp A    146 ? 38.002 89.147 55.436 1   114.299 ? 146 A 1 .
ATOM 2426 H H    . ASP Axp A    146 ? 38.378 87.035 52.749 1   75.567  ? 146 A 1 c
ATOM 2427 H HA   . ASP Axp A    146 ? 35.687 87.064 53.442 1   77.601  ? 146 A 1 c
ATOM 2428 H HB3  . ASP Axp A    146 ? 35.896 89.458 53.34  1   80.107  ? 146 A 1 c
ATOM 2429 H HB2  . ASP Axp A    146 ? 37.45  89.251 53.091 1   80.238  ? 146 A 1 c
ATOM 2430 N N    . HIS Axp A    147 ? 36.761 87.673 50.517 1   87.123  ? 147 A 1 .
ATOM 2431 C CA   . HIS Axp A    147 ? 36.403 87.798 49.115 1   87.92   ? 147 A 1 .
ATOM 2432 C C    . HIS Axp A    147 ? 35.78  86.477 48.655 1   76.79   ? 147 A 1 .
ATOM 2433 O O    . HIS Axp A    147 ? 36.068 85.416 49.208 1   68.096  ? 147 A 1 .
ATOM 2434 C CB   . HIS Axp A    147 ? 37.644 88.16  48.288 1   97.057  ? 147 A 1 .
ATOM 2435 C CG   . HIS Axp A    147 ? 38.52  89.222 48.876 1   111.35  ? 147 A 1 .
ATOM 2436 N ND1  . HIS Axp A    147 ? 38.807 89.391 50.217 1   123.836 ? 147 A 1 .
ATOM 2437 C CD2  . HIS Axp A    147 ? 39.204 90.17  48.243 1   116.261 ? 147 A 1 .
ATOM 2438 C CE1  . HIS Axp A    147 ? 39.612 90.427 50.383 1   114.011 ? 147 A 1 .
ATOM 2439 N NE2  . HIS Axp A    147 ? 39.873 90.914 49.191 1   119.896 ? 147 A 1 .
ATOM 2440 H H    . HIS Axp A    147 ? 37.638 87.541 50.733 1   86.413  ? 147 A 1 c
ATOM 2441 H HA   . HIS Axp A    147 ? 35.728 88.515 49.023 1   87.043  ? 147 A 1 c
ATOM 2442 H HB3  . HIS Axp A    147 ? 37.349 88.453 47.398 1   97.973  ? 147 A 1 c
ATOM 2443 H HB2  . HIS Axp A    147 ? 38.179 87.346 48.159 1   97.868  ? 147 A 1 c
ATOM 2444 H HD1  . HIS Axp A    147 ? 38.916 88.49  50.584 0   62.44   ? 147 A 1 c
ATOM 2445 H HD2  . HIS Axp A    147 ? 39.222 90.322 47.319 1   115.818 ? 147 A 1 c
ATOM 2446 H HE1  . HIS Axp A    147 ? 39.95  90.747 51.202 1   117.498 ? 147 A 1 c
ATOM 2447 H HE2  . HIS Axp A    147 ? 40.069 91.9   49.341 0   63.42   ? 147 A 1 c
ATOM 2448 N N    . VAL Axp A    148 ? 34.934 86.545 47.624 1   68.914  ? 148 A 1 .
ATOM 2449 C CA   . VAL Axp A    148 ? 34.407 85.341 47.008 1   67.287  ? 148 A 1 .
ATOM 2450 C C    . VAL Axp A    148 ? 35.478 84.831 46.045 1   70.758  ? 148 A 1 .
ATOM 2451 O O    . VAL Axp A    148 ? 36.508 85.467 45.857 1   89.193  ? 148 A 1 .
ATOM 2452 C CB   . VAL Axp A    148 ? 33.068 85.586 46.28  1   62.517  ? 148 A 1 .
ATOM 2453 C CG1  . VAL Axp A    148 ? 32.316 84.291 45.997 1   57.125  ? 148 A 1 .
ATOM 2454 C CG2  . VAL Axp A    148 ? 32.171 86.553 47.042 1   65.316  ? 148 A 1 .
ATOM 2455 H H    . VAL Axp A    148 ? 34.701 87.36  47.283 1   70.473  ? 148 A 1 c
ATOM 2456 H HA   . VAL Axp A    148 ? 34.265 84.67  47.703 1   67.315  ? 148 A 1 c
ATOM 2457 H HB   . VAL Axp A    148 ? 33.282 86.002 45.411 1   62.867  ? 148 A 1 c
ATOM 2458 H HG11 . VAL Axp A    148 ? 32.574 83.614 46.645 1   58.779  ? 148 A 1 c
ATOM 2459 H HG12 . VAL Axp A    148 ? 32.528 83.98  45.101 1   58.695  ? 148 A 1 c
ATOM 2460 H HG13 . VAL Axp A    148 ? 31.359 84.448 46.062 1   58.766  ? 148 A 1 c
ATOM 2461 H HG21 . VAL Axp A    148 ? 31.292 86.578 46.628 1   64.371  ? 148 A 1 c
ATOM 2462 H HG22 . VAL Axp A    148 ? 32.559 87.443 47.024 1   64.39   ? 148 A 1 c
ATOM 2463 H HG23 . VAL Axp A    148 ? 32.085 86.257 47.964 1   64.441  ? 148 A 1 c
ATOM 2464 N N    . THR Axp A    149 ? 35.228 83.683 45.414 1   58.215  ? 149 A 1 .
ATOM 2465 C CA   . THR Axp A    149 ? 36.158 83.099 44.469 1   45.526  ? 149 A 1 .
ATOM 2466 C C    . THR Axp A    149 ? 35.446 81.896 43.889 1   42.209  ? 149 A 1 .
ATOM 2467 O O    . THR Axp A    149 ? 34.756 81.211 44.621 1   40.776  ? 149 A 1 .
ATOM 2468 C CB   . THR Axp A    149 ? 37.444 82.751 45.215 1   43.442  ? 149 A 1 .
ATOM 2469 O OG1  . THR Axp A    149 ? 38.012 81.655 44.512 1   45.39   ? 149 A 1 .
ATOM 2470 C CG2  . THR Axp A    149 ? 37.2   82.401 46.674 1   42.427  ? 149 A 1 .
ATOM 2471 H H    . THR Axp A    149 ? 34.462 83.227 45.608 1   57.628  ? 149 A 1 c
ATOM 2472 H HA   . THR Axp A    149 ? 36.352 83.747 43.758 1   46.879  ? 149 A 1 c
ATOM 2473 H HB   . THR Axp A    149 ? 38.065 83.517 45.172 1   44.178  ? 149 A 1 c
ATOM 2474 H HG1  . THR Axp A    149 ? 37.328 80.926 44.571 0   25.86   ? 149 A 1 c
ATOM 2475 H HG21 . THR Axp A    149 ? 37.931 81.852 46.995 1   43.147  ? 149 A 1 c
ATOM 2476 H HG22 . THR Axp A    149 ? 36.372 81.906 46.753 1   43.184  ? 149 A 1 c
ATOM 2477 H HG23 . THR Axp A    149 ? 37.15  83.213 47.205 1   43.239  ? 149 A 1 c
ATOM 2478 N N    . HIS Axp A    150 ? 35.608 81.626 42.596 1   47.888  ? 150 A 1 .
ATOM 2479 C CA   . HIS Axp A    150 ? 34.712 80.672 41.931 1   52.595  ? 150 A 1 .
ATOM 2480 C C    . HIS Axp A    150 ? 34.559 79.329 42.665 1   46.752  ? 150 A 1 .
ATOM 2481 O O    . HIS Axp A    150 ? 33.474 78.756 42.707 1   38.961  ? 150 A 1 .
ATOM 2482 C CB   . HIS Axp A    150 ? 35.099 80.454 40.463 1   52.758  ? 150 A 1 .
ATOM 2483 C CG   . HIS Axp A    150 ? 36.397 79.77  40.249 1   46.87   ? 150 A 1 .
ATOM 2484 N ND1  . HIS Axp A    150 ? 37.587 80.416 40.493 1   45.766  ? 150 A 1 .
ATOM 2485 C CD2  . HIS Axp A    150 ? 36.688 78.528 39.836 1   41.896  ? 150 A 1 .
ATOM 2486 C CE1  . HIS Axp A    150 ? 38.565 79.568 40.21  1   50.323  ? 150 A 1 .
ATOM 2487 N NE2  . HIS Axp A    150 ? 38.04  78.416 39.807 1   42.522  ? 150 A 1 .
ATOM 2488 H H    . HIS Axp A    150 ? 36.269 82.036 42.116 1   47.442  ? 150 A 1 c
ATOM 2489 H HA   . HIS Axp A    150 ? 33.823 81.105 41.924 1   50.573  ? 150 A 1 c
ATOM 2490 H HB3  . HIS Axp A    150 ? 35.127 81.328 40.017 1   51.24   ? 150 A 1 c
ATOM 2491 H HB2  . HIS Axp A    150 ? 34.391 79.93  40.029 1   51.27   ? 150 A 1 c
ATOM 2492 H HD1  . HIS Axp A    150 ? 37.674 81.289 40.878 0   15.03   ? 150 A 1 c
ATOM 2493 H HD2  . HIS Axp A    150 ? 36.077 77.86  39.594 1   43.237  ? 150 A 1 c
ATOM 2494 H HE1  . HIS Axp A    150 ? 39.484 79.757 40.287 1   47.289  ? 150 A 1 c
ATOM 2495 H HE2  . HIS Axp A    150 ? 38.56  77.824 39.566 0   15.03   ? 150 A 1 c
ATOM 2496 N N    . PRO Axp A    151 ? 35.602 78.759 43.296 1   46.378  ? 151 A 1 .
ATOM 2497 C CA   . PRO Axp A    151 ? 35.405 77.519 44.02  1   42.342  ? 151 A 1 .
ATOM 2498 C C    . PRO Axp A    151 ? 34.244 77.607 44.989 1   38.193  ? 151 A 1 .
ATOM 2499 O O    . PRO Axp A    151 ? 33.6   76.605 45.206 1   37.778  ? 151 A 1 .
ATOM 2500 C CB   . PRO Axp A    151 ? 36.738 77.294 44.707 1   48.023  ? 151 A 1 .
ATOM 2501 C CG   . PRO Axp A    151 ? 37.732 78.083 43.857 1   48.848  ? 151 A 1 .
ATOM 2502 C CD   . PRO Axp A    151 ? 36.974 79.281 43.414 1   50.724  ? 151 A 1 .
ATOM 2503 H HA   . PRO Axp A    151 ? 35.241 76.794 43.381 1   43.252  ? 151 A 1 c
ATOM 2504 H HB3  . PRO Axp A    151 ? 36.968 76.344 44.72  1   46.84   ? 151 A 1 c
ATOM 2505 H HB2  . PRO Axp A    151 ? 36.72  77.63  45.624 1   46.797  ? 151 A 1 c
ATOM 2506 H HG3  . PRO Axp A    151 ? 38.03  77.557 43.088 1   49.08   ? 151 A 1 c
ATOM 2507 H HG2  . PRO Axp A    151 ? 38.511 78.343 44.386 1   49.04   ? 151 A 1 c
ATOM 2508 H HD3  . PRO Axp A    151 ? 37.017 79.983 44.08  1   49.111  ? 151 A 1 c
ATOM 2509 H HD2  . PRO Axp A    151 ? 37.299 79.615 42.567 1   49.202  ? 151 A 1 c
ATOM 2510 N N    . ASP Axp A    152 ? 33.99  78.802 45.542 1   41.034  ? 152 A 1 .
ATOM 2511 C CA   . ASP Axp A    152 ? 32.838 79.04  46.404 1   42.026  ? 152 A 1 .
ATOM 2512 C C    . ASP Axp A    152 ? 31.567 78.664 45.66  1   39.417  ? 152 A 1 .
ATOM 2513 O O    . ASP Axp A    152 ? 30.75  77.934 46.208 1   40.777  ? 152 A 1 .
ATOM 2514 C CB   . ASP Axp A    152 ? 32.747 80.465 46.935 1   44.09   ? 152 A 1 .
ATOM 2515 C CG   . ASP Axp A    152 ? 33.878 80.851 47.881 1   51.375  ? 152 A 1 .
ATOM 2516 O OD1  . ASP Axp A    152 ? 34.096 80.105 48.835 1   51.22   ? 152 A 1 .
ATOM 2517 O OD2  . ASP Axp A    152 ? 34.566 81.873 47.648 1   65.959  ? 152 A 1 .
ATOM 2518 H H    . ASP Axp A    152 ? 34.57  79.493 45.393 1   40.709  ? 152 A 1 c
ATOM 2519 H HA   . ASP Axp A    152 ? 32.921 78.446 47.184 1   41.754  ? 152 A 1 c
ATOM 2520 H HB3  . ASP Axp A    152 ? 31.899 80.57  47.415 1   45.135  ? 152 A 1 c
ATOM 2521 H HB2  . ASP Axp A    152 ? 32.743 81.09  46.181 1   45.238  ? 152 A 1 c
ATOM 2522 N N    . PHE Axp A    153 ? 31.444 79.104 44.401 1   37.192  ? 153 A 1 .
ATOM 2523 C CA   . PHE Axp A    153 ? 30.232 78.867 43.627 1   36.171  ? 153 A 1 .
ATOM 2524 C C    . PHE Axp A    153 ? 30.158 77.397 43.238 1   35.487  ? 153 A 1 .
ATOM 2525 O O    . PHE Axp A    153 ? 29.074 76.822 43.232 1   34.889  ? 153 A 1 .
ATOM 2526 C CB   . PHE Axp A    153 ? 30.103 79.794 42.414 1   35.414  ? 153 A 1 .
ATOM 2527 C CG   . PHE Axp A    153 ? 29.82  81.229 42.831 1   37.414  ? 153 A 1 .
ATOM 2528 C CD1  . PHE Axp A    153 ? 28.662 81.546 43.534 1   39.334  ? 153 A 1 .
ATOM 2529 C CD2  . PHE Axp A    153 ? 30.729 82.253 42.584 1   40.222  ? 153 A 1 .
ATOM 2530 C CE1  . PHE Axp A    153 ? 28.42  82.844 43.978 1   40.117  ? 153 A 1 .
ATOM 2531 C CE2  . PHE Axp A    153 ? 30.47  83.558 43.008 1   41.754  ? 153 A 1 .
ATOM 2532 C CZ   . PHE Axp A    153 ? 29.319 83.849 43.71  1   39.848  ? 153 A 1 .
ATOM 2533 H H    . PHE Axp A    153 ? 32.127 79.574 44.017 1   37.56   ? 153 A 1 c
ATOM 2534 H HA   . PHE Axp A    153 ? 29.46  79.053 44.225 1   36.177  ? 153 A 1 c
ATOM 2535 H HB3  . PHE Axp A    153 ? 29.37  79.471 41.844 1   36.038  ? 153 A 1 c
ATOM 2536 H HB2  . PHE Axp A    153 ? 30.94  79.763 41.9   1   36.077  ? 153 A 1 c
ATOM 2537 H HD1  . PHE Axp A    153 ? 28.044 80.862 43.737 1   39.042  ? 153 A 1 c
ATOM 2538 H HD2  . PHE Axp A    153 ? 31.526 82.064 42.114 1   39.842  ? 153 A 1 c
ATOM 2539 H HE1  . PHE Axp A    153 ? 27.621 83.04  44.441 1   39.861  ? 153 A 1 c
ATOM 2540 H HE2  . PHE Axp A    153 ? 31.094 84.242 42.823 1   40.892  ? 153 A 1 c
ATOM 2541 H HZ   . PHE Axp A    153 ? 29.142 84.733 43.988 1   40.336  ? 153 A 1 c
ATOM 2542 N N    . MET Axp A    154 ? 31.316 76.798 42.958 1   37.416  ? 154 A 1 .
ATOM 2543 C CA   . MET Axp A    154 ? 31.371 75.395 42.579 1   40.775  ? 154 A 1 .
ATOM 2544 C C    . MET Axp A    154 ? 30.847 74.52  43.711 1   42.519  ? 154 A 1 .
ATOM 2545 O O    . MET Axp A    154 ? 30.248 73.481 43.441 1   50.213  ? 154 A 1 .
ATOM 2546 C CB   . MET Axp A    154 ? 32.799 74.948 42.254 1   41.238  ? 154 A 1 .
ATOM 2547 C CG   . MET Axp A    154 ? 33.429 75.731 41.129 1   43.98   ? 154 A 1 .
ATOM 2548 S SD   . MET Axp A    154 ? 35.107 75.186 40.773 1   45.61   ? 154 A 1 .
ATOM 2549 C CE   . MET Axp A    154 ? 34.663 73.51  40.294 1   52.2    ? 154 A 1 .
ATOM 2550 H H    . MET Axp A    154 ? 32.094 77.273 43.007 1   37.76   ? 154 A 1 c
ATOM 2551 H HA   . MET Axp A    154 ? 30.795 75.263 41.786 1   40.593  ? 154 A 1 c
ATOM 2552 H HB3  . MET Axp A    154 ? 32.781 73.998 42.015 1   41.899  ? 154 A 1 c
ATOM 2553 H HB2  . MET Axp A    154 ? 33.35  75.045 43.059 1   41.759  ? 154 A 1 c
ATOM 2554 H HG3  . MET Axp A    154 ? 33.451 76.677 41.362 1   43.5    ? 154 A 1 c
ATOM 2555 H HG2  . MET Axp A    154 ? 32.887 75.632 40.321 1   43.626  ? 154 A 1 c
ATOM 2556 H HE3  . MET Axp A    154 ? 33.77  73.509 39.902 1   50.293  ? 154 A 1 c
ATOM 2557 H HE2  . MET Axp A    154 ? 34.675 72.934 41.08  1   50.363  ? 154 A 1 c
ATOM 2558 H HE1  . MET Axp A    154 ? 35.305 73.179 39.639 1   50.414  ? 154 A 1 c
ATOM 2559 N N    . LEU Axp A    155 ? 31.127 74.933 44.957 1   39.352  ? 155 A 1 .
ATOM 2560 C CA   . LEU Axp A    155 ? 30.769 74.175 46.143 1   37.272  ? 155 A 1 .
ATOM 2561 C C    . LEU Axp A    155 ? 29.268 74.303 46.331 1   35.101  ? 155 A 1 .
ATOM 2562 O O    . LEU Axp A    155 ? 28.566 73.321 46.575 1   32.32   ? 155 A 1 .
ATOM 2563 C CB   . LEU Axp A    155 ? 31.529 74.685 47.373 1   36.649  ? 155 A 1 .
ATOM 2564 C CG   . LEU Axp A    155 ? 31.429 73.839 48.653 1   36.538  ? 155 A 1 .
ATOM 2565 C CD1  . LEU Axp A    155 ? 31.579 72.358 48.396 1   38.015  ? 155 A 1 .
ATOM 2566 C CD2  . LEU Axp A    155 ? 32.448 74.228 49.688 1   34.856  ? 155 A 1 .
ATOM 2567 H H    . LEU Axp A    155 ? 31.573 75.722 45.069 1   39.541  ? 155 A 1 c
ATOM 2568 H HA   . LEU Axp A    155 ? 30.994 73.224 45.986 1   37.245  ? 155 A 1 c
ATOM 2569 H HB3  . LEU Axp A    155 ? 31.206 75.592 47.575 1   36.79   ? 155 A 1 c
ATOM 2570 H HB2  . LEU Axp A    155 ? 32.48  74.765 47.13  1   36.77   ? 155 A 1 c
ATOM 2571 H HG   . LEU Axp A    155 ? 30.53  73.986 49.045 1   36.505  ? 155 A 1 c
ATOM 2572 H HD11 . LEU Axp A    155 ? 30.751 72.007 48.028 1   37.561  ? 155 A 1 c
ATOM 2573 H HD12 . LEU Axp A    155 ? 31.78  71.9   49.229 1   37.54   ? 155 A 1 c
ATOM 2574 H HD13 . LEU Axp A    155 ? 32.301 72.21  47.764 1   37.572  ? 155 A 1 c
ATOM 2575 H HD21 . LEU Axp A    155 ? 32.438 75.191 49.801 1   35.695  ? 155 A 1 c
ATOM 2576 H HD22 . LEU Axp A    155 ? 33.331 73.944 49.399 1   35.643  ? 155 A 1 c
ATOM 2577 H HD23 . LEU Axp A    155 ? 32.232 73.801 50.534 1   35.485  ? 155 A 1 c
ATOM 2578 N N    . TYR Axp A    156 ? 28.804 75.541 46.186 1   34.421  ? 156 A 1 .
ATOM 2579 C CA   . TYR Axp A    156 ? 27.401 75.839 46.357 1   36.153  ? 156 A 1 .
ATOM 2580 C C    . TYR Axp A    156 ? 26.588 74.93  45.449 1   37.128  ? 156 A 1 .
ATOM 2581 O O    . TYR Axp A    156 ? 25.403 74.721 45.689 1   34.852  ? 156 A 1 .
ATOM 2582 C CB   . TYR Axp A    156 ? 27.118 77.308 46.043 1   36.991  ? 156 A 1 .
ATOM 2583 C CG   . TYR Axp A    156 ? 25.619 77.487 45.973 1   35.684  ? 156 A 1 .
ATOM 2584 C CD1  . TYR Axp A    156 ? 24.859 77.541 47.13  1   35.362  ? 156 A 1 .
ATOM 2585 C CD2  . TYR Axp A    156 ? 24.971 77.466 44.754 1   34.331  ? 156 A 1 .
ATOM 2586 C CE1  . TYR Axp A    156 ? 23.488 77.677 47.074 1   34.151  ? 156 A 1 .
ATOM 2587 C CE2  . TYR Axp A    156 ? 23.598 77.57  44.684 1   33.717  ? 156 A 1 .
ATOM 2588 C CZ   . TYR Axp A    156 ? 22.867 77.675 45.847 1   33.066  ? 156 A 1 .
ATOM 2589 O OH   . TYR Axp A    156 ? 21.53  77.771 45.764 1   34.822  ? 156 A 1 .
ATOM 2590 H H    . TYR Axp A    156 ? 29.38  76.223 45.985 1   35.028  ? 156 A 1 c
ATOM 2591 H HA   . TYR Axp A    156 ? 27.15  75.659 47.301 1   36.133  ? 156 A 1 c
ATOM 2592 H HB3  . TYR Axp A    156 ? 27.524 77.545 45.18  1   36.467  ? 156 A 1 c
ATOM 2593 H HB2  . TYR Axp A    156 ? 27.489 77.874 46.756 1   36.494  ? 156 A 1 c
ATOM 2594 H HD1  . TYR Axp A    156 ? 25.291 77.548 47.969 1   35.135  ? 156 A 1 c
ATOM 2595 H HD2  . TYR Axp A    156 ? 25.474 77.391 43.961 1   34.766  ? 156 A 1 c
ATOM 2596 H HE1  . TYR Axp A    156 ? 22.982 77.736 47.863 1   34.693  ? 156 A 1 c
ATOM 2597 H HE2  . TYR Axp A    156 ? 23.163 77.58  43.848 1   33.747  ? 156 A 1 c
ATOM 2598 H HH   . TYR Axp A    156 ? 21.044 77.441 46.361 0   18.27   ? 156 A 1 c
ATOM 2599 N N    . ASP Axp A    157 ? 27.254 74.409 44.412 1   41.997  ? 157 A 1 .
ATOM 2600 C CA   . ASP Axp A    157 ? 26.637 73.519 43.443 1   45.064  ? 157 A 1 .
ATOM 2601 C C    . ASP Axp A    157 ? 26.579 72.109 44.02  1   42.121  ? 157 A 1 .
ATOM 2602 O O    . ASP Axp A    157 ? 25.51  71.599 44.314 1   36.668  ? 157 A 1 .
ATOM 2603 C CB   . ASP Axp A    157 ? 27.392 73.576 42.124 1   46.626  ? 157 A 1 .
ATOM 2604 C CG   . ASP Axp A    157 ? 26.867 72.64  41.053 1   47.729  ? 157 A 1 .
ATOM 2605 O OD1  . ASP Axp A    157 ? 25.731 72.879 40.585 1   49.323  ? 157 A 1 .
ATOM 2606 O OD2  . ASP Axp A    157 ? 27.593 71.678 40.718 1   49.332  ? 157 A 1 .
ATOM 2607 H H    . ASP Axp A    157 ? 28.124 74.65  44.277 1   41.361  ? 157 A 1 c
ATOM 2608 H HA   . ASP Axp A    157 ? 25.718 73.829 43.278 1   44.039  ? 157 A 1 c
ATOM 2609 H HB3  . ASP Axp A    157 ? 28.333 73.363 42.275 1   46.524  ? 157 A 1 c
ATOM 2610 H HB2  . ASP Axp A    157 ? 27.344 74.491 41.776 1   46.517  ? 157 A 1 c
ATOM 2611 N N    . ALA Axp A    158 ? 27.752 71.505 44.208 1   45.815  ? 158 A 1 .
ATOM 2612 C CA   . ALA Axp A    158 ? 27.868 70.18  44.795 1   54.124  ? 158 A 1 .
ATOM 2613 C C    . ALA Axp A    158 ? 26.825 69.981 45.89  1   56.78   ? 158 A 1 .
ATOM 2614 O O    . ALA Axp A    158 ? 26.204 68.917 45.98  1   57.149  ? 158 A 1 .
ATOM 2615 C CB   . ALA Axp A    158 ? 29.267 69.98  45.348 1   56.479  ? 158 A 1 .
ATOM 2616 H H    . ALA Axp A    158 ? 28.519 71.942 43.969 1   46.686  ? 158 A 1 c
ATOM 2617 H HA   . ALA Axp A    158 ? 27.7   69.507 44.079 1   53.212  ? 158 A 1 c
ATOM 2618 H HB3  . ALA Axp A    158 ? 29.345 69.088 45.725 1   55.65   ? 158 A 1 c
ATOM 2619 H HB2  . ALA Axp A    158 ? 29.441 70.638 46.042 1   55.743  ? 158 A 1 c
ATOM 2620 H HB1  . ALA Axp A    158 ? 29.919 70.085 44.635 1   55.743  ? 158 A 1 c
ATOM 2621 N N    . LEU Axp A    159 ? 26.685 71.017 46.728 1   55.543  ? 159 A 1 .
ATOM 2622 C CA   . LEU Axp A    159 ? 25.805 70.988 47.878 1   49.752  ? 159 A 1 .
ATOM 2623 C C    . LEU Axp A    159 ? 24.365 70.885 47.413 1   48.108  ? 159 A 1 .
ATOM 2624 O O    . LEU Axp A    159 ? 23.705 69.907 47.741 1   44.51   ? 159 A 1 .
ATOM 2625 C CB   . LEU Axp A    159 ? 26.078 72.234 48.711 1   49.543  ? 159 A 1 .
ATOM 2626 C CG   . LEU Axp A    159 ? 27.383 72.184 49.511 1   49.408  ? 159 A 1 .
ATOM 2627 C CD1  . LEU Axp A    159 ? 27.799 73.497 50.091 1   48.986  ? 159 A 1 .
ATOM 2628 C CD2  . LEU Axp A    159 ? 27.208 71.21  50.647 1   51.379  ? 159 A 1 .
ATOM 2629 H H    . LEU Axp A    159 ? 27.183 71.77  46.584 1   54.223  ? 159 A 1 c
ATOM 2630 H HA   . LEU Axp A    159 ? 26.024 70.189 48.412 1   50.424  ? 159 A 1 c
ATOM 2631 H HB3  . LEU Axp A    159 ? 25.328 72.36  49.337 1   49.59   ? 159 A 1 c
ATOM 2632 H HB2  . LEU Axp A    159 ? 26.107 73.013 48.108 1   49.662  ? 159 A 1 c
ATOM 2633 H HG   . LEU Axp A    159 ? 28.106 71.854 48.918 1   49.741  ? 159 A 1 c
ATOM 2634 H HD11 . LEU Axp A    159 ? 27.824 74.168 49.389 1   49.118  ? 159 A 1 c
ATOM 2635 H HD12 . LEU Axp A    159 ? 28.682 73.411 50.488 1   49.126  ? 159 A 1 c
ATOM 2636 H HD13 . LEU Axp A    159 ? 27.162 73.767 50.773 1   49.128  ? 159 A 1 c
ATOM 2637 H HD21 . LEU Axp A    159 ? 27.16  70.305 50.297 1   50.775  ? 159 A 1 c
ATOM 2638 H HD22 . LEU Axp A    159 ? 26.389 71.415 51.128 1   50.792  ? 159 A 1 c
ATOM 2639 H HD23 . LEU Axp A    159 ? 27.963 71.28  51.255 1   50.764  ? 159 A 1 c
ATOM 2640 N N    . ASP Axp A    160 ? 23.913 71.876 46.628 1   56.257  ? 160 A 1 .
ATOM 2641 C CA   . ASP Axp A    160 ? 22.55  71.898 46.095 1   61.878  ? 160 A 1 .
ATOM 2642 C C    . ASP Axp A    160 ? 22.179 70.537 45.511 1   56.339  ? 160 A 1 .
ATOM 2643 O O    . ASP Axp A    160 ? 21.034 70.118 45.631 1   62.994  ? 160 A 1 .
ATOM 2644 C CB   . ASP Axp A    160 ? 22.309 72.981 45.047 1   63.116  ? 160 A 1 .
ATOM 2645 C CG   . ASP Axp A    160 ? 20.964 72.885 44.335 1   64.999  ? 160 A 1 .
ATOM 2646 O OD1  . ASP Axp A    160 ? 19.925 73.037 45.008 1   65.857  ? 160 A 1 .
ATOM 2647 O OD2  . ASP Axp A    160 ? 20.959 72.617 43.115 1   73.238  ? 160 A 1 .
ATOM 2648 H H    . ASP Axp A    160 ? 24.475 72.565 46.414 1   55.295  ? 160 A 1 c
ATOM 2649 H HA   . ASP Axp A    160 ? 21.938 72.086 46.843 1   59.93   ? 160 A 1 c
ATOM 2650 H HB3  . ASP Axp A    160 ? 23.019 72.931 44.373 1   63.314  ? 160 A 1 c
ATOM 2651 H HB2  . ASP Axp A    160 ? 22.364 73.858 45.48  1   63.268  ? 160 A 1 c
ATOM 2652 N N    . VAL Axp A    161 ? 23.161 69.871 44.895 1   48.604  ? 161 A 1 .
ATOM 2653 C CA   . VAL Axp A    161 ? 22.958 68.585 44.27  1   41.676  ? 161 A 1 .
ATOM 2654 C C    . VAL Axp A    161 ? 22.84  67.519 45.34  1   41.627  ? 161 A 1 .
ATOM 2655 O O    . VAL Axp A    161 ? 21.78  66.942 45.467 1   52.154  ? 161 A 1 .
ATOM 2656 C CB   . VAL Axp A    161 ? 24.119 68.264 43.33  1   42.391  ? 161 A 1 .
ATOM 2657 C CG1  . VAL Axp A    161 ? 24.107 66.806 42.925 1   40.697  ? 161 A 1 .
ATOM 2658 C CG2  . VAL Axp A    161 ? 24.121 69.185 42.122 1   46.29   ? 161 A 1 .
ATOM 2659 H H    . VAL Axp A    161 ? 23.991 70.25  44.847 1   48.641  ? 161 A 1 c
ATOM 2660 H HA   . VAL Axp A    161 ? 22.129 68.612 43.753 1   43.265  ? 161 A 1 c
ATOM 2661 H HB   . VAL Axp A    161 ? 24.952 68.428 43.828 1   42.722  ? 161 A 1 c
ATOM 2662 H HG11 . VAL Axp A    161 ? 23.192 66.517 42.772 1   41.212  ? 161 A 1 c
ATOM 2663 H HG12 . VAL Axp A    161 ? 24.504 66.268 43.631 1   41.214  ? 161 A 1 c
ATOM 2664 H HG13 . VAL Axp A    161 ? 24.622 66.692 42.108 1   41.251  ? 161 A 1 c
ATOM 2665 H HG21 . VAL Axp A    161 ? 25.026 69.494 41.952 1   45.163  ? 161 A 1 c
ATOM 2666 H HG22 . VAL Axp A    161 ? 23.547 69.951 42.294 1   45.104  ? 161 A 1 c
ATOM 2667 H HG23 . VAL Axp A    161 ? 23.792 68.705 41.344 1   45.062  ? 161 A 1 c
ATOM 2668 N N    . VAL Axp A    162 ? 23.915 67.243 46.075 1   40.246  ? 162 A 1 .
ATOM 2669 C CA   . VAL Axp A    162 ? 23.892 66.209 47.098 1   46.265  ? 162 A 1 .
ATOM 2670 C C    . VAL Axp A    162 ? 22.615 66.252 47.939 1   54.369  ? 162 A 1 .
ATOM 2671 O O    . VAL Axp A    162 ? 22.064 65.213 48.29  1   68.233  ? 162 A 1 .
ATOM 2672 C CB   . VAL Axp A    162 ? 25.116 66.298 48.016 1   47.085  ? 162 A 1 .
ATOM 2673 C CG1  . VAL Axp A    162 ? 26.355 65.804 47.292 1   48.204  ? 162 A 1 .
ATOM 2674 C CG2  . VAL Axp A    162 ? 25.287 67.707 48.565 1   48.919  ? 162 A 1 .
ATOM 2675 H H    . VAL Axp A    162 ? 24.69  67.703 45.928 1   42.072  ? 162 A 1 c
ATOM 2676 H HA   . VAL Axp A    162 ? 23.922 65.344 46.644 1   46.553  ? 162 A 1 c
ATOM 2677 H HB   . VAL Axp A    162 ? 24.953 65.695 48.779 1   47.51   ? 162 A 1 c
ATOM 2678 H HG11 . VAL Axp A    162 ? 26.452 66.279 46.45  1   47.83   ? 162 A 1 c
ATOM 2679 H HG12 . VAL Axp A    162 ? 26.271 64.852 47.117 1   47.862  ? 162 A 1 c
ATOM 2680 H HG13 . VAL Axp A    162 ? 27.139 65.963 47.844 1   47.864  ? 162 A 1 c
ATOM 2681 H HG21 . VAL Axp A    162 ? 26.14  67.773 49.026 1   48.374  ? 162 A 1 c
ATOM 2682 H HG22 . VAL Axp A    162 ? 24.569 67.904 49.189 1   48.444  ? 162 A 1 c
ATOM 2683 H HG23 . VAL Axp A    162 ? 25.267 68.34  47.838 1   48.333  ? 162 A 1 c
ATOM 2684 N N    . LEU Axp A    163 ? 22.129 67.446 48.265 1   55.307  ? 163 A 1 .
ATOM 2685 C CA   . LEU Axp A    163 ? 20.95  67.565 49.11  1   61.004  ? 163 A 1 .
ATOM 2686 C C    . LEU Axp A    163 ? 19.662 67.088 48.419 1   60.303  ? 163 A 1 .
ATOM 2687 O O    . LEU Axp A    163 ? 18.561 67.306 48.92  1   68.855  ? 163 A 1 .
ATOM 2688 C CB   . LEU Axp A    163 ? 20.868 69.036 49.521 1   68.738  ? 163 A 1 .
ATOM 2689 C CG   . LEU Axp A    163 ? 21.881 69.523 50.568 1   67.971  ? 163 A 1 .
ATOM 2690 C CD1  . LEU Axp A    163 ? 21.707 71.038 50.785 1   68.362  ? 163 A 1 .
ATOM 2691 C CD2  . LEU Axp A    163 ? 21.744 68.745 51.873 1   64.245  ? 163 A 1 .
ATOM 2692 H H    . LEU Axp A    163 ? 22.543 68.205 47.969 1   56.073  ? 163 A 1 c
ATOM 2693 H HA   . LEU Axp A    163 ? 21.092 67.011 49.919 1   61.044  ? 163 A 1 c
ATOM 2694 H HB3  . LEU Axp A    163 ? 19.963 69.206 49.87  1   66.654  ? 163 A 1 c
ATOM 2695 H HB2  . LEU Axp A    163 ? 20.97  69.588 48.712 1   66.552  ? 163 A 1 c
ATOM 2696 H HG   . LEU Axp A    163 ? 22.794 69.367 50.212 1   67.327  ? 163 A 1 c
ATOM 2697 H HD11 . LEU Axp A    163 ? 21.816 71.503 49.938 1   68.201  ? 163 A 1 c
ATOM 2698 H HD12 . LEU Axp A    163 ? 22.375 71.355 51.416 1   68.054  ? 163 A 1 c
ATOM 2699 H HD13 . LEU Axp A    163 ? 20.819 71.216 51.139 1   68.201  ? 163 A 1 c
ATOM 2700 H HD21 . LEU Axp A    163 ? 22.366 68.001 51.874 1   65.263  ? 163 A 1 c
ATOM 2701 H HD22 . LEU Axp A    163 ? 20.836 68.407 51.957 1   65.293  ? 163 A 1 c
ATOM 2702 H HD23 . LEU Axp A    163 ? 21.94  69.331 52.624 1   65.286  ? 163 A 1 c
ATOM 2703 N N    . TYR Axp A    164 ? 19.785 66.475 47.241 1   60.352  ? 164 A 1 .
ATOM 2704 C CA   . TYR Axp A    164 ? 18.677 65.806 46.572 1   59.899  ? 164 A 1 .
ATOM 2705 C C    . TYR Axp A    164 ? 18.881 64.313 46.761 1   70.752  ? 164 A 1 .
ATOM 2706 O O    . TYR Axp A    164 ? 17.955 63.517 46.671 1   85.456  ? 164 A 1 .
ATOM 2707 C CB   . TYR Axp A    164 ? 18.575 66.141 45.079 1   49.575  ? 164 A 1 .
ATOM 2708 C CG   . TYR Axp A    164 ? 17.984 67.516 44.827 1   53.52   ? 164 A 1 .
ATOM 2709 C CD1  . TYR Axp A    164 ? 16.61  67.725 44.864 1   56.046  ? 164 A 1 .
ATOM 2710 C CD2  . TYR Axp A    164 ? 18.791 68.617 44.563 1   63.155  ? 164 A 1 .
ATOM 2711 C CE1  . TYR Axp A    164 ? 16.062 68.983 44.645 1   57.318  ? 164 A 1 .
ATOM 2712 C CE2  . TYR Axp A    164 ? 18.26  69.883 44.36  1   63.95   ? 164 A 1 .
ATOM 2713 C CZ   . TYR Axp A    164 ? 16.89  70.062 44.387 1   59.087  ? 164 A 1 .
ATOM 2714 O OH   . TYR Axp A    164 ? 16.409 71.31  44.159 1   65.444  ? 164 A 1 .
ATOM 2715 H H    . TYR Axp A    164 ? 20.582 66.528 46.799 1   60.234  ? 164 A 1 c
ATOM 2716 H HA   . TYR Axp A    164 ? 17.827 66.07  47.014 1   59.781  ? 164 A 1 c
ATOM 2717 H HB3  . TYR Axp A    164 ? 18.012 65.465 44.64  1   52.747  ? 164 A 1 c
ATOM 2718 H HB2  . TYR Axp A    164 ? 19.473 66.098 44.682 1   52.673  ? 164 A 1 c
ATOM 2719 H HD1  . TYR Axp A    164 ? 16.037 66.997 45.04  1   55.824  ? 164 A 1 c
ATOM 2720 H HD2  . TYR Axp A    164 ? 19.727 68.503 44.541 1   60.847  ? 164 A 1 c
ATOM 2721 H HE1  . TYR Axp A    164 ? 15.128 69.103 44.671 1   57.489  ? 164 A 1 c
ATOM 2722 H HE2  . TYR Axp A    164 ? 18.827 70.612 44.172 1   62.47   ? 164 A 1 c
ATOM 2723 H HH   . TYR Axp A    164 ? 15.633 71.445 44.208 0   35.28   ? 164 A 1 c
ATOM 2724 N N    . MET Axp A    165 ? 20.13  63.975 47.053 1   74.298  ? 165 A 1 .
ATOM 2725 C CA   . MET Axp A    165 ? 20.554 62.609 47.198 1   71.85   ? 165 A 1 .
ATOM 2726 C C    . MET Axp A    165 ? 20.487 62.197 48.668 1   83.662  ? 165 A 1 .
ATOM 2727 O O    . MET Axp A    165 ? 20.566 61.01  48.961 1   104.945 ? 165 A 1 .
ATOM 2728 C CB   . MET Axp A    165 ? 21.966 62.485 46.63  1   64.031  ? 165 A 1 .
ATOM 2729 C CG   . MET Axp A    165 ? 22.608 61.172 46.926 1   66.152  ? 165 A 1 .
ATOM 2730 S SD   . MET Axp A    165 ? 24.088 60.884 45.948 1   69.315  ? 165 A 1 .
ATOM 2731 C CE   . MET Axp A    165 ? 24.698 59.69  47.142 1   78.937  ? 165 A 1 .
ATOM 2732 H H    . MET Axp A    165 ? 20.755 64.63  47.161 1   72.304  ? 165 A 1 c
ATOM 2733 H HA   . MET Axp A    165 ? 19.94  62.03  46.679 1   72.882  ? 165 A 1 c
ATOM 2734 H HB3  . MET Axp A    165 ? 22.523 63.201 47.001 1   66.274  ? 165 A 1 c
ATOM 2735 H HB2  . MET Axp A    165 ? 21.926 62.609 45.657 1   66.232  ? 165 A 1 c
ATOM 2736 H HG3  . MET Axp A    165 ? 21.969 60.452 46.75  1   66.464  ? 165 A 1 c
ATOM 2737 H HG2  . MET Axp A    165 ? 22.848 61.138 47.873 1   66.658  ? 165 A 1 c
ATOM 2738 H HE3  . MET Axp A    165 ? 23.945 59.249 47.576 1   76.068  ? 165 A 1 c
ATOM 2739 H HE2  . MET Axp A    165 ? 25.237 60.151 47.81  1   75.964  ? 165 A 1 c
ATOM 2740 H HE1  . MET Axp A    165 ? 25.236 59.02  46.683 1   76.228  ? 165 A 1 c
ATOM 2741 N N    . ASP Axp A    166 ? 20.338 63.147 49.602 1   80.624  ? 166 A 1 .
ATOM 2742 C CA   . ASP Axp A    166 ? 20.319 62.774 51.006 1   71.55   ? 166 A 1 .
ATOM 2743 C C    . ASP Axp A    166 ? 20.278 64.023 51.858 1   62.81   ? 166 A 1 .
ATOM 2744 O O    . ASP Axp A    166 ? 21.312 64.551 52.234 1   70.839  ? 166 A 1 .
ATOM 2745 C CB   . ASP Axp A    166 ? 21.56  62.018 51.439 1   69.023  ? 166 A 1 .
ATOM 2746 C CG   . ASP Axp A    166 ? 21.49  61.557 52.879 1   67.89   ? 166 A 1 .
ATOM 2747 O OD1  . ASP Axp A    166 ? 20.375 61.56  53.431 1   64.471  ? 166 A 1 .
ATOM 2748 O OD2  . ASP Axp A    166 ? 22.548 61.241 53.435 1   74.369  ? 166 A 1 .
ATOM 2749 H H    . ASP Axp A    166 ? 20.25  64.026 49.368 1   78.964  ? 166 A 1 c
ATOM 2750 H HA   . ASP Axp A    166 ? 19.521 62.225 51.179 1   70.8    ? 166 A 1 c
ATOM 2751 H HB3  . ASP Axp A    166 ? 22.355 62.581 51.324 1   69.347  ? 166 A 1 c
ATOM 2752 H HB2  . ASP Axp A    166 ? 21.679 61.219 50.888 1   69.593  ? 166 A 1 c
ATOM 2753 N N    . PRO Axp A    167 ? 19.085 64.573 52.094 1   54.954  ? 167 A 1 .
ATOM 2754 C CA   . PRO Axp A    167 ? 18.934 65.802 52.858 1   59.891  ? 167 A 1 .
ATOM 2755 C C    . PRO Axp A    167 ? 19.346 65.741 54.323 1   68.225  ? 167 A 1 .
ATOM 2756 O O    . PRO Axp A    167 ? 18.763 66.434 55.15  1   75.349  ? 167 A 1 .
ATOM 2757 C CB   . PRO Axp A    167 ? 17.454 66.107 52.708 1   55.777  ? 167 A 1 .
ATOM 2758 C CG   . PRO Axp A    167 ? 17.195 65.511 51.328 1   59.224  ? 167 A 1 .
ATOM 2759 C CD   . PRO Axp A    167 ? 17.853 64.187 51.412 1   55.551  ? 167 A 1 .
ATOM 2760 H HA   . PRO Axp A    167 ? 19.446 66.511 52.416 1   59.623  ? 167 A 1 c
ATOM 2761 H HB3  . PRO Axp A    167 ? 17.285 67.07  52.721 1   57.472  ? 167 A 1 c
ATOM 2762 H HB2  . PRO Axp A    167 ? 16.924 65.66  53.396 1   57.583  ? 167 A 1 c
ATOM 2763 H HG3  . PRO Axp A    167 ? 17.596 66.057 50.627 1   57.648  ? 167 A 1 c
ATOM 2764 H HG2  . PRO Axp A    167 ? 16.237 65.416 51.156 1   57.592  ? 167 A 1 c
ATOM 2765 H HD3  . PRO Axp A    167 ? 17.335 63.553 51.944 1   56.284  ? 167 A 1 c
ATOM 2766 H HD2  . PRO Axp A    167 ? 18.03  63.816 50.528 1   56.539  ? 167 A 1 c
ATOM 2767 N N    . MET Axp A    168 ? 20.383 64.968 54.64  1   72.716  ? 168 A 1 .
ATOM 2768 C CA   . MET Axp A    168 ? 20.844 64.887 56.011 1   81.986  ? 168 A 1 .
ATOM 2769 C C    . MET Axp A    168 ? 22.36  64.938 56.07  1   77.413  ? 168 A 1 .
ATOM 2770 O O    . MET Axp A    168 ? 22.913 65.086 57.156 1   81.478  ? 168 A 1 .
ATOM 2771 C CB   . MET Axp A    168 ? 20.355 63.602 56.686 1   97.274  ? 168 A 1 .
ATOM 2772 C CG   . MET Axp A    168 ? 18.84  63.411 56.612 1   108.943 ? 168 A 1 .
ATOM 2773 S SD   . MET Axp A    168 ? 18.124 62.255 57.803 1   101.983 ? 168 A 1 .
ATOM 2774 C CE   . MET Axp A    168 ? 17.88  63.35  59.208 1   106.276 ? 168 A 1 .
ATOM 2775 H H    . MET Axp A    168 ? 20.784 64.452 54.004 1   73.322  ? 168 A 1 c
ATOM 2776 H HA   . MET Axp A    168 ? 20.491 65.669 56.507 1   81.606  ? 168 A 1 c
ATOM 2777 H HB3  . MET Axp A    168 ? 20.629 63.617 57.628 1   95.98   ? 168 A 1 c
ATOM 2778 H HB2  . MET Axp A    168 ? 20.794 62.836 56.259 1   95.891  ? 168 A 1 c
ATOM 2779 H HG3  . MET Axp A    168 ? 18.609 63.102 55.714 1   104.669 ? 168 A 1 c
ATOM 2780 H HG2  . MET Axp A    168 ? 18.411 64.28  56.739 1   104.521 ? 168 A 1 c
ATOM 2781 H HE3  . MET Axp A    168 ? 17.315 64.099 58.941 1   105.189 ? 168 A 1 c
ATOM 2782 H HE2  . MET Axp A    168 ? 18.743 63.686 59.512 1   105.189 ? 168 A 1 c
ATOM 2783 H HE1  . MET Axp A    168 ? 17.448 62.859 59.931 1   105.189 ? 168 A 1 c
ATOM 2784 N N    . CYS Axp A    169 ? 23.005 64.856 54.902 1   75.516  ? 169 A 1 .
ATOM 2785 C CA   . CYS Axp A    169 ? 24.45  64.741 54.812 1   78.297  ? 169 A 1 .
ATOM 2786 C C    . CYS Axp A    169 ? 25.113 65.957 55.446 1   89.686  ? 169 A 1 .
ATOM 2787 O O    . CYS Axp A    169 ? 26.301 65.894 55.767 1   90.558  ? 169 A 1 .
ATOM 2788 C CB   . CYS Axp A    169 ? 24.919 64.62  53.367 1   74.483  ? 169 A 1 .
ATOM 2789 S SG   . CYS Axp A    169 ? 24.23  65.848 52.219 1   65.682  ? 169 A 1 .
ATOM 2790 H H    . CYS Axp A    169 ? 22.529 64.887 54.124 1   76.54   ? 169 A 1 c
ATOM 2791 H HA   . CYS Axp A    169 ? 24.727 63.933 55.313 1   78.989  ? 169 A 1 c
ATOM 2792 H HB3  . CYS Axp A    169 ? 24.684 63.726 53.033 1   73.621  ? 169 A 1 c
ATOM 2793 H HB2  . CYS Axp A    169 ? 25.899 64.697 53.344 1   73.688  ? 169 A 1 c
ATOM 2794 H HG   . CYS Axp A    169 ? 24.748 65.427 51.383 0   49.83   ? 169 A 1 c
ATOM 2795 N N    . LEU Axp A    170 ? 24.324 67.038 55.617 1   83.625  ? 170 A 1 .
ATOM 2796 C CA   . LEU Axp A    170 ? 24.826 68.332 56.058 1   70.893  ? 170 A 1 .
ATOM 2797 C C    . LEU Axp A    170 ? 24.529 68.648 57.52  1   72.767  ? 170 A 1 .
ATOM 2798 O O    . LEU Axp A    170 ? 25.041 69.64  58.037 1   68.456  ? 170 A 1 .
ATOM 2799 C CB   . LEU Axp A    170 ? 24.2   69.404 55.178 1   62.153  ? 170 A 1 .
ATOM 2800 C CG   . LEU Axp A    170 ? 24.704 69.451 53.736 1   58.225  ? 170 A 1 .
ATOM 2801 C CD1  . LEU Axp A    170 ? 24.504 70.889 53.319 1   53.682  ? 170 A 1 .
ATOM 2802 C CD2  . LEU Axp A    170 ? 26.154 69.003 53.494 1   58.704  ? 170 A 1 .
ATOM 2803 H H    . LEU Axp A    170 ? 23.434 66.97  55.424 1   81.457  ? 170 A 1 c
ATOM 2804 H HA   . LEU Axp A    170 ? 25.808 68.344 55.935 1   71.74   ? 170 A 1 c
ATOM 2805 H HB3  . LEU Axp A    170 ? 24.369 70.28  55.596 1   62.951  ? 170 A 1 c
ATOM 2806 H HB2  . LEU Axp A    170 ? 23.226 69.262 55.164 1   63.19   ? 170 A 1 c
ATOM 2807 H HG   . LEU Axp A    170 ? 24.112 68.882 53.183 1   58.246  ? 170 A 1 c
ATOM 2808 H HD11 . LEU Axp A    170 ? 23.634 71.2   53.623 1   55.113  ? 170 A 1 c
ATOM 2809 H HD12 . LEU Axp A    170 ? 24.546 70.953 52.35  1   55.074  ? 170 A 1 c
ATOM 2810 H HD13 . LEU Axp A    170 ? 25.201 71.441 53.71  1   55.078  ? 170 A 1 c
ATOM 2811 H HD21 . LEU Axp A    170 ? 26.223 68.041 53.618 1   58.712  ? 170 A 1 c
ATOM 2812 H HD22 . LEU Axp A    170 ? 26.743 69.453 54.122 1   58.674  ? 170 A 1 c
ATOM 2813 H HD23 . LEU Axp A    170 ? 26.416 69.23  52.586 1   58.581  ? 170 A 1 c
ATOM 2814 N N    . ASP Axp A    171 ? 23.674 67.847 58.172 1   83.658  ? 171 A 1 .
ATOM 2815 C CA   . ASP Axp A    171 ? 23.291 68.103 59.555 1   77.956  ? 171 A 1 .
ATOM 2816 C C    . ASP Axp A    171 ? 24.562 68.148 60.401 1   70.693  ? 171 A 1 .
ATOM 2817 O O    . ASP Axp A    171 ? 24.936 69.209 60.895 1   72.113  ? 171 A 1 .
ATOM 2818 C CB   . ASP Axp A    171 ? 22.224 67.127 60.029 1   76.751  ? 171 A 1 .
ATOM 2819 C CG   . ASP Axp A    171 ? 20.938 67.11  59.206 1   75.368  ? 171 A 1 .
ATOM 2820 O OD1  . ASP Axp A    171 ? 20.689 68.092 58.468 1   78.207  ? 171 A 1 .
ATOM 2821 O OD2  . ASP Axp A    171 ? 20.204 66.098 59.273 1   62.068  ? 171 A 1 .
ATOM 2822 H H    . ASP Axp A    171 ? 23.324 67.119 57.746 1   79.575  ? 171 A 1 c
ATOM 2823 H HA   . ASP Axp A    171 ? 22.879 68.996 59.589 1   77.365  ? 171 A 1 c
ATOM 2824 H HB3  . ASP Axp A    171 ? 21.99  67.346 60.955 1   76.689  ? 171 A 1 c
ATOM 2825 H HB2  . ASP Axp A    171 ? 22.601 66.222 60.021 1   76.623  ? 171 A 1 c
ATOM 2826 N N    . ALA Axp A    172 ? 25.283 67.023 60.458 1   64.628  ? 172 A 1 .
ATOM 2827 C CA   . ALA Axp A    172 ? 26.575 66.941 61.138 1   61.502  ? 172 A 1 .
ATOM 2828 C C    . ALA Axp A    172 ? 27.474 68.157 60.897 1   56.104  ? 172 A 1 .
ATOM 2829 O O    . ALA Axp A    172 ? 28.319 68.456 61.729 1   49.094  ? 172 A 1 .
ATOM 2830 C CB   . ALA Axp A    172 ? 27.306 65.691 60.698 1   60.626  ? 172 A 1 .
ATOM 2831 H H    . ALA Axp A    172 ? 24.956 66.271 60.054 1   65.441  ? 172 A 1 c
ATOM 2832 H HA   . ALA Axp A    172 ? 26.4   66.881 62.118 1   60.902  ? 172 A 1 c
ATOM 2833 H HB3  . ALA Axp A    172 ? 28.137 65.607 61.195 1   60.892  ? 172 A 1 c
ATOM 2834 H HB2  . ALA Axp A    172 ? 27.504 65.745 59.748 1   60.892  ? 172 A 1 c
ATOM 2835 H HB1  . ALA Axp A    172 ? 26.751 64.911 60.866 1   60.914  ? 172 A 1 c
ATOM 2836 N N    . PHE Axp A    173 ? 27.322 68.817 59.742 1   60.374  ? 173 A 1 .
ATOM 2837 C CA   . PHE Axp A    173 ? 28.217 69.873 59.307 1   56.356  ? 173 A 1 .
ATOM 2838 C C    . PHE Axp A    173 ? 27.468 71.199 59.23  1   57.356  ? 173 A 1 .
ATOM 2839 O O    . PHE Axp A    173 ? 26.976 71.57  58.165 1   51.185  ? 173 A 1 .
ATOM 2840 C CB   . PHE Axp A    173 ? 28.774 69.502 57.935 1   57.008  ? 173 A 1 .
ATOM 2841 C CG   . PHE Axp A    173 ? 29.385 68.117 57.893 1   60.038  ? 173 A 1 .
ATOM 2842 C CD1  . PHE Axp A    173 ? 30.466 67.806 58.701 1   63.576  ? 173 A 1 .
ATOM 2843 C CD2  . PHE Axp A    173 ? 28.876 67.141 57.047 1   66.639  ? 173 A 1 .
ATOM 2844 C CE1  . PHE Axp A    173 ? 31.027 66.543 58.665 1   66.945  ? 173 A 1 .
ATOM 2845 C CE2  . PHE Axp A    173 ? 29.437 65.874 57.017 1   70.927  ? 173 A 1 .
ATOM 2846 C CZ   . PHE Axp A    173 ? 30.523 65.587 57.815 1   70.404  ? 173 A 1 .
ATOM 2847 H H    . PHE Axp A    173 ? 26.642 68.576 59.183 1   58.627  ? 173 A 1 c
ATOM 2848 H HA   . PHE Axp A    173 ? 28.969 69.953 59.947 1   57.458  ? 173 A 1 c
ATOM 2849 H HB3  . PHE Axp A    173 ? 29.454 70.157 57.676 1   57.579  ? 173 A 1 c
ATOM 2850 H HB2  . PHE Axp A    173 ? 28.045 69.546 57.277 1   57.603  ? 173 A 1 c
ATOM 2851 H HD1  . PHE Axp A    173 ? 30.821 68.461 59.279 1   63.573  ? 173 A 1 c
ATOM 2852 H HD2  . PHE Axp A    173 ? 28.141 67.343 56.491 1   66.057  ? 173 A 1 c
ATOM 2853 H HE1  . PHE Axp A    173 ? 31.762 66.339 59.218 1   66.971  ? 173 A 1 c
ATOM 2854 H HE2  . PHE Axp A    173 ? 29.091 65.217 56.434 1   69.636  ? 173 A 1 c
ATOM 2855 H HZ   . PHE Axp A    173 ? 30.903 64.724 57.8   1   69.463  ? 173 A 1 c
ATOM 2856 N N    . PRO Axp A    174 ? 27.41  71.958 60.352 1   63.088  ? 174 A 1 .
ATOM 2857 C CA   . PRO Axp A    174 ? 26.709 73.24  60.402 1   59.307  ? 174 A 1 .
ATOM 2858 C C    . PRO Axp A    174 ? 27.301 74.367 59.542 1   54.746  ? 174 A 1 .
ATOM 2859 O O    . PRO Axp A    174 ? 26.543 75.043 58.835 1   45.251  ? 174 A 1 .
ATOM 2860 C CB   . PRO Axp A    174 ? 26.716 73.569 61.904 1   57.461  ? 174 A 1 .
ATOM 2861 C CG   . PRO Axp A    174 ? 27.914 72.842 62.465 1   56.559  ? 174 A 1 .
ATOM 2862 C CD   . PRO Axp A    174 ? 28.007 71.59  61.653 1   63.234  ? 174 A 1 .
ATOM 2863 H HA   . PRO Axp A    174 ? 25.779 73.096 60.126 1   58.722  ? 174 A 1 c
ATOM 2864 H HB3  . PRO Axp A    174 ? 25.893 73.259 62.33  1   57.656  ? 174 A 1 c
ATOM 2865 H HB2  . PRO Axp A    174 ? 26.797 74.532 62.048 1   57.642  ? 174 A 1 c
ATOM 2866 H HG3  . PRO Axp A    174 ? 27.784 72.631 63.411 1   58.229  ? 174 A 1 c
ATOM 2867 H HG2  . PRO Axp A    174 ? 28.726 73.378 62.368 1   58.214  ? 174 A 1 c
ATOM 2868 H HD3  . PRO Axp A    174 ? 28.938 71.315 61.542 1   61.535  ? 174 A 1 c
ATOM 2869 H HD2  . PRO Axp A    174 ? 27.505 70.863 62.068 1   61.505  ? 174 A 1 c
ATOM 2870 N N    . LYS Axp A    175 ? 28.628 74.599 59.623 1   53.509  ? 175 A 1 .
ATOM 2871 C CA   . LYS Axp A    175 ? 29.266 75.703 58.914 1   59.633  ? 175 A 1 .
ATOM 2872 C C    . LYS Axp A    175 ? 28.934 75.641 57.42  1   58.456  ? 175 A 1 .
ATOM 2873 O O    . LYS Axp A    175 ? 28.788 76.682 56.771 1   56.373  ? 175 A 1 .
ATOM 2874 C CB   . LYS Axp A    175 ? 30.792 75.787 59.078 1   68.98   ? 175 A 1 .
ATOM 2875 C CG   . LYS Axp A    175 ? 31.406 75.793 60.489 1   75.044  ? 175 A 1 .
ATOM 2876 C CD   . LYS Axp A    175 ? 30.88  76.908 61.382 1   93.032  ? 175 A 1 .
ATOM 2877 C CE   . LYS Axp A    175 ? 31.831 77.378 62.455 1   113.053 ? 175 A 1 .
ATOM 2878 N NZ   . LYS Axp A    175 ? 32.187 76.392 63.479 1   124.921 ? 175 A 1 .
ATOM 2879 H H    . LYS Axp A    175 ? 29.147 74.05  60.137 1   55.456  ? 175 A 1 c
ATOM 2880 H HA   . LYS Axp A    175 ? 28.887 76.545 59.272 1   59.755  ? 175 A 1 c
ATOM 2881 H HB3  . LYS Axp A    175 ? 31.083 76.611 58.633 1   67.977  ? 175 A 1 c
ATOM 2882 H HB2  . LYS Axp A    175 ? 31.189 75.044 58.579 1   67.843  ? 175 A 1 c
ATOM 2883 H HG3  . LYS Axp A    175 ? 32.38  75.882 60.406 1   77.45   ? 175 A 1 c
ATOM 2884 H HG2  . LYS Axp A    175 ? 31.219 74.932 60.919 1   77.082  ? 175 A 1 c
ATOM 2885 H HD3  . LYS Axp A    175 ? 30.053 76.598 61.81  1   92.615  ? 175 A 1 c
ATOM 2886 H HD2  . LYS Axp A    175 ? 30.644 77.674 60.815 1   92.493  ? 175 A 1 c
ATOM 2887 H HE3  . LYS Axp A    175 ? 31.435 78.149 62.9   1   110.704 ? 175 A 1 c
ATOM 2888 H HE2  . LYS Axp A    175 ? 32.651 77.683 62.027 1   110.705 ? 175 A 1 c
ATOM 2889 H HZ1  . LYS Axp A    175 ? 32.671 75.724 63.105 1   121.141 ? 175 A 1 c
ATOM 2890 H HZ2  . LYS Axp A    175 ? 31.434 76.046 63.846 1   121.141 ? 175 A 1 c
ATOM 2891 H HZ3  . LYS Axp A    175 ? 32.679 76.789 64.128 1   121.141 ? 175 A 1 c
ATOM 2892 N N    . LEU Axp A    176 ? 28.793 74.421 56.881 1   58.415  ? 176 A 1 .
ATOM 2893 C CA   . LEU Axp A    176 ? 28.44  74.245 55.477 1   57.92   ? 176 A 1 .
ATOM 2894 C C    . LEU Axp A    176 ? 27.021 74.756 55.233 1   58.588  ? 176 A 1 .
ATOM 2895 O O    . LEU Axp A    176 ? 26.741 75.468 54.266 1   56.076  ? 176 A 1 .
ATOM 2896 C CB   . LEU Axp A    176 ? 28.579 72.783 55.055 1   58.015  ? 176 A 1 .
ATOM 2897 C CG   . LEU Axp A    176 ? 30.012 72.233 54.945 1   61.495  ? 176 A 1 .
ATOM 2898 C CD1  . LEU Axp A    176 ? 29.931 70.807 54.445 1   66.389  ? 176 A 1 .
ATOM 2899 C CD2  . LEU Axp A    176 ? 30.959 73.019 54.05  1   55.629  ? 176 A 1 .
ATOM 2900 H H    . LEU Axp A    176 ? 28.937 73.679 57.395 1   58.267  ? 176 A 1 c
ATOM 2901 H HA   . LEU Axp A    176 ? 29.061 74.795 54.935 1   58.136  ? 176 A 1 c
ATOM 2902 H HB3  . LEU Axp A    176 ? 28.139 72.674 54.181 1   58.807  ? 176 A 1 c
ATOM 2903 H HB2  . LEU Axp A    176 ? 28.085 72.23  55.703 1   58.803  ? 176 A 1 c
ATOM 2904 H HG   . LEU Axp A    176 ? 30.403 72.214 55.856 1   60.58   ? 176 A 1 c
ATOM 2905 H HD11 . LEU Axp A    176 ? 29.322 70.299 55.008 1   64.722  ? 176 A 1 c
ATOM 2906 H HD12 . LEU Axp A    176 ? 30.813 70.4   54.475 1   64.743  ? 176 A 1 c
ATOM 2907 H HD13 . LEU Axp A    176 ? 29.603 70.804 53.531 1   64.529  ? 176 A 1 c
ATOM 2908 H HD21 . LEU Axp A    176 ? 31.253 73.819 54.514 1   57.288  ? 176 A 1 c
ATOM 2909 H HD22 . LEU Axp A    176 ? 30.499 73.271 53.231 1   57.281  ? 176 A 1 c
ATOM 2910 H HD23 . LEU Axp A    176 ? 31.731 72.47  53.832 1   57.211  ? 176 A 1 c
ATOM 2911 N N    . VAL Axp A    177 ? 26.126 74.411 56.153 1   56.308  ? 177 A 1 .
ATOM 2912 C CA   . VAL Axp A    177 ? 24.737 74.793 56.032 1   53.611  ? 177 A 1 .
ATOM 2913 C C    . VAL Axp A    177 ? 24.619 76.317 56.057 1   53.744  ? 177 A 1 .
ATOM 2914 O O    . VAL Axp A    177 ? 23.624 76.862 55.583 1   60.275  ? 177 A 1 .
ATOM 2915 C CB   . VAL Axp A    177 ? 23.897 74.109 57.132 1   54.633  ? 177 A 1 .
ATOM 2916 C CG1  . VAL Axp A    177 ? 22.407 74.439 57.004 1   55.731  ? 177 A 1 .
ATOM 2917 C CG2  . VAL Axp A    177 ? 24.102 72.591 57.141 1   56.154  ? 177 A 1 .
ATOM 2918 H H    . VAL Axp A    177 ? 26.391 73.927 56.882 1   56.219  ? 177 A 1 c
ATOM 2919 H HA   . VAL Axp A    177 ? 24.413 74.478 55.166 1   54.367  ? 177 A 1 c
ATOM 2920 H HB   . VAL Axp A    177 ? 24.209 74.461 57.997 1   54.864  ? 177 A 1 c
ATOM 2921 H HG11 . VAL Axp A    177 ? 22.138 74.369 56.073 1   55.412  ? 177 A 1 c
ATOM 2922 H HG12 . VAL Axp A    177 ? 22.246 75.344 57.32  1   55.425  ? 177 A 1 c
ATOM 2923 H HG13 . VAL Axp A    177 ? 21.888 73.814 57.539 1   55.417  ? 177 A 1 c
ATOM 2924 H HG21 . VAL Axp A    177 ? 24.349 72.303 58.036 1   55.713  ? 177 A 1 c
ATOM 2925 H HG22 . VAL Axp A    177 ? 24.81  72.352 56.519 1   55.746  ? 177 A 1 c
ATOM 2926 H HG23 . VAL Axp A    177 ? 23.279 72.149 56.875 1   55.712  ? 177 A 1 c
ATOM 2927 N N    . CYS Axp A    178 ? 25.608 77.012 56.629 1   57.07   ? 178 A 1 .
ATOM 2928 C CA   . CYS Axp A    178 ? 25.587 78.471 56.634 1   61.805  ? 178 A 1 .
ATOM 2929 C C    . CYS Axp A    178 ? 26.149 79.015 55.329 1   58.113  ? 178 A 1 .
ATOM 2930 O O    . CYS Axp A    178 ? 25.632 79.984 54.772 1   56.813  ? 178 A 1 .
ATOM 2931 C CB   . CYS Axp A    178 ? 26.357 79.051 57.809 1   62.402  ? 178 A 1 .
ATOM 2932 S SG   . CYS Axp A    178 ? 25.426 78.919 59.357 1   66.353  ? 178 A 1 .
ATOM 2933 H H    . CYS Axp A    178 ? 26.293 76.578 57.048 1   57.308  ? 178 A 1 c
ATOM 2934 H HA   . CYS Axp A    178 ? 24.643 78.765 56.711 1   60.267  ? 178 A 1 c
ATOM 2935 H HB3  . CYS Axp A    178 ? 26.545 79.999 57.637 1   63.152  ? 178 A 1 c
ATOM 2936 H HB2  . CYS Axp A    178 ? 27.213 78.578 57.909 1   62.944  ? 178 A 1 c
ATOM 2937 H HG   . CYS Axp A    178 ? 26.44  79.261 60.053 0   40.26   ? 178 A 1 c
ATOM 2938 N N    . PHE Axp A    179 ? 27.213 78.355 54.871 1   54.799  ? 179 A 1 .
ATOM 2939 C CA   . PHE Axp A    179 ? 27.81  78.653 53.588 1   51.748  ? 179 A 1 .
ATOM 2940 C C    . PHE Axp A    179 ? 26.721 78.77  52.534 1   54.509  ? 179 A 1 .
ATOM 2941 O O    . PHE Axp A    179 ? 26.743 79.674 51.699 1   52.893  ? 179 A 1 .
ATOM 2942 C CB   . PHE Axp A    179 ? 28.79  77.548 53.195 1   48.829  ? 179 A 1 .
ATOM 2943 C CG   . PHE Axp A    179 ? 29.657 77.933 52.012 1   41.934  ? 179 A 1 .
ATOM 2944 C CD1  . PHE Axp A    179 ? 30.402 79.106 52.048 1   39.552  ? 179 A 1 .
ATOM 2945 C CD2  . PHE Axp A    179 ? 29.709 77.135 50.883 1   38.073  ? 179 A 1 .
ATOM 2946 C CE1  . PHE Axp A    179 ? 31.175 79.477 50.969 1   40.671  ? 179 A 1 .
ATOM 2947 C CE2  . PHE Axp A    179 ? 30.493 77.5   49.81  1   41.433  ? 179 A 1 .
ATOM 2948 C CZ   . PHE Axp A    179 ? 31.216 78.676 49.847 1   43.622  ? 179 A 1 .
ATOM 2949 H H    . PHE Axp A    179 ? 27.587 77.699 55.386 1   54.828  ? 179 A 1 c
ATOM 2950 H HA   . PHE Axp A    179 ? 28.292 79.508 53.643 1   52.617  ? 179 A 1 c
ATOM 2951 H HB3  . PHE Axp A    179 ? 28.282 76.739 52.969 1   47.814  ? 179 A 1 c
ATOM 2952 H HB2  . PHE Axp A    179 ? 29.366 77.346 53.965 1   47.897  ? 179 A 1 c
ATOM 2953 H HD1  . PHE Axp A    179 ? 30.368 79.658 52.812 1   40.559  ? 179 A 1 c
ATOM 2954 H HD2  . PHE Axp A    179 ? 29.205 76.338 50.848 1   39.855  ? 179 A 1 c
ATOM 2955 H HE1  . PHE Axp A    179 ? 31.683 80.266 51.003 1   41.285  ? 179 A 1 c
ATOM 2956 H HE2  . PHE Axp A    179 ? 30.52  76.955 49.042 1   41.08   ? 179 A 1 c
ATOM 2957 H HZ   . PHE Axp A    179 ? 31.758 78.918 49.115 1   42.425  ? 179 A 1 c
ATOM 2958 N N    . LYS Axp A    180 ? 25.785 77.82  52.584 1   58.432  ? 180 A 1 .
ATOM 2959 C CA   . LYS Axp A    180 ? 24.737 77.772 51.59  1   58.838  ? 180 A 1 .
ATOM 2960 C C    . LYS Axp A    180 ? 23.849 79.013 51.714 1   55.228  ? 180 A 1 .
ATOM 2961 O O    . LYS Axp A    180 ? 23.704 79.746 50.738 1   53.63   ? 180 A 1 .
ATOM 2962 C CB   . LYS Axp A    180 ? 24.036 76.418 51.644 1   59.62   ? 180 A 1 .
ATOM 2963 C CG   . LYS Axp A    180 ? 23.044 76.281 50.508 1   64.317  ? 180 A 1 .
ATOM 2964 C CD   . LYS Axp A    180 ? 22.659 74.845 50.174 1   67.194  ? 180 A 1 .
ATOM 2965 C CE   . LYS Axp A    180 ? 21.504 74.772 49.231 1   65.99   ? 180 A 1 .
ATOM 2966 N NZ   . LYS Axp A    180 ? 20.34  75.484 49.764 1   67.327  ? 180 A 1 .
ATOM 2967 H H    . LYS Axp A    180 ? 25.807 77.182 53.239 1   57.518  ? 180 A 1 c
ATOM 2968 H HA   . LYS Axp A    180 ? 25.176 77.817 50.702 1   58.178  ? 180 A 1 c
ATOM 2969 H HB3  . LYS Axp A    180 ? 23.562 76.325 52.498 1   60.485  ? 180 A 1 c
ATOM 2970 H HB2  . LYS Axp A    180 ? 24.701 75.699 51.579 1   60.485  ? 180 A 1 c
ATOM 2971 H HG3  . LYS Axp A    180 ? 23.431 76.697 49.709 1   63.246  ? 180 A 1 c
ATOM 2972 H HG2  . LYS Axp A    180 ? 22.235 76.784 50.743 1   63.667  ? 180 A 1 c
ATOM 2973 H HD3  . LYS Axp A    180 ? 22.427 74.373 51.004 1   66.258  ? 180 A 1 c
ATOM 2974 H HD2  . LYS Axp A    180 ? 23.431 74.391 49.771 1   66.255  ? 180 A 1 c
ATOM 2975 H HE3  . LYS Axp A    180 ? 21.264 73.84  49.08  1   66.578  ? 180 A 1 c
ATOM 2976 H HE2  . LYS Axp A    180 ? 21.754 75.166 48.377 1   66.578  ? 180 A 1 c
ATOM 2977 H HZ1  . LYS Axp A    180 ? 20.352 76.341 49.483 1   66.597  ? 180 A 1 c
ATOM 2978 H HZ2  . LYS Axp A    180 ? 20.341 75.462 50.67  1   66.804  ? 180 A 1 c
ATOM 2979 H HZ3  . LYS Axp A    180 ? 19.583 75.088 49.463 1   66.832  ? 180 A 1 c
ATOM 2980 N N    . LYS Axp A    181 ? 23.308 79.282 52.91  1   55.535  ? 181 A 1 .
ATOM 2981 C CA   . LYS Axp A    181 ? 22.535 80.504 53.114 1   65.984  ? 181 A 1 .
ATOM 2982 C C    . LYS Axp A    181 ? 23.365 81.719 52.681 1   58.672  ? 181 A 1 .
ATOM 2983 O O    . LYS Axp A    181 ? 22.904 82.535 51.876 1   50.393  ? 181 A 1 .
ATOM 2984 C CB   . LYS Axp A    181 ? 22.098 80.825 54.552 1   81.213  ? 181 A 1 .
ATOM 2985 C CG   . LYS Axp A    181 ? 21.165 79.873 55.303 1   95.091  ? 181 A 1 .
ATOM 2986 C CD   . LYS Axp A    181 ? 20.604 80.492 56.591 1   109.383 ? 181 A 1 .
ATOM 2987 C CE   . LYS Axp A    181 ? 20.41  79.577 57.79  1   115.394 ? 181 A 1 .
ATOM 2988 N NZ   . LYS Axp A    181 ? 19.444 78.487 57.614 1   116.611 ? 181 A 1 .
ATOM 2989 H H    . LYS Axp A    181 ? 23.419 78.7   53.607 1   57.657  ? 181 A 1 c
ATOM 2990 H HA   . LYS Axp A    181 ? 21.727 80.456 52.543 1   64.865  ? 181 A 1 c
ATOM 2991 H HB3  . LYS Axp A    181 ? 21.667 81.707 54.538 1   80.057  ? 181 A 1 c
ATOM 2992 H HB2  . LYS Axp A    181 ? 22.913 80.916 55.09  1   79.733  ? 181 A 1 c
ATOM 2993 H HG3  . LYS Axp A    181 ? 21.661 79.055 55.526 1   94.68   ? 181 A 1 c
ATOM 2994 H HG2  . LYS Axp A    181 ? 20.421 79.628 54.711 1   94.681  ? 181 A 1 c
ATOM 2995 H HD3  . LYS Axp A    181 ? 19.739 80.902 56.374 1   107.219 ? 181 A 1 c
ATOM 2996 H HD2  . LYS Axp A    181 ? 21.201 81.225 56.858 1   107.079 ? 181 A 1 c
ATOM 2997 H HE3  . LYS Axp A    181 ? 20.125 80.119 58.548 1   114.288 ? 181 A 1 c
ATOM 2998 H HE2  . LYS Axp A    181 ? 21.272 79.187 58.022 1   114.288 ? 181 A 1 c
ATOM 2999 H HZ1  . LYS Axp A    181 ? 19.616 78.044 56.842 1   116.125 ? 181 A 1 c
ATOM 3000 H HZ2  . LYS Axp A    181 ? 18.604 78.824 57.582 1   116.209 ? 181 A 1 c
ATOM 3001 H HZ3  . LYS Axp A    181 ? 19.506 77.908 58.309 1   116.209 ? 181 A 1 c
ATOM 3002 N N    . ARG Axp A    182 ? 24.585 81.82  53.236 1   56.494  ? 182 A 1 .
ATOM 3003 C CA   . ARG Axp A    182 ? 25.499 82.93  52.984 1   56.291  ? 182 A 1 .
ATOM 3004 C C    . ARG Axp A    182 ? 25.588 83.244 51.485 1   56.924  ? 182 A 1 .
ATOM 3005 O O    . ARG Axp A    182 ? 25.503 84.402 51.075 1   52.784  ? 182 A 1 .
ATOM 3006 C CB   . ARG Axp A    182 ? 26.88  82.623 53.581 1   57.025  ? 182 A 1 .
ATOM 3007 C CG   . ARG Axp A    182 ? 27.906 83.75  53.523 1   56.599  ? 182 A 1 .
ATOM 3008 C CD   . ARG Axp A    182 ? 29.091 83.557 54.462 1   56.115  ? 182 A 1 .
ATOM 3009 N NE   . ARG Axp A    182 ? 28.758 83.081 55.816 1   62.266  ? 182 A 1 .
ATOM 3010 C CZ   . ARG Axp A    182 ? 28.636 81.804 56.206 1   73.822  ? 182 A 1 .
ATOM 3011 N NH1  . ARG Axp A    182 ? 28.847 80.813 55.368 1   81.538  ? 182 A 1 .
ATOM 3012 N NH2  . ARG Axp A    182 ? 28.301 81.489 57.442 1   73.572  ? 182 A 1 .
ATOM 3013 H H    . ARG Axp A    182 ? 24.859 81.158 53.803 1   57.265  ? 182 A 1 c
ATOM 3014 H HA   . ARG Axp A    182 ? 25.139 83.73  53.444 1   56.58   ? 182 A 1 c
ATOM 3015 H HB3  . ARG Axp A    182 ? 27.249 81.844 53.115 1   56.902  ? 182 A 1 c
ATOM 3016 H HB2  . ARG Axp A    182 ? 26.75  82.369 54.518 1   56.995  ? 182 A 1 c
ATOM 3017 H HG3  . ARG Axp A    182 ? 27.461 84.596 53.746 1   56.564  ? 182 A 1 c
ATOM 3018 H HG2  . ARG Axp A    182 ? 28.241 83.827 52.604 1   56.479  ? 182 A 1 c
ATOM 3019 H HD3  . ARG Axp A    182 ? 29.535 84.422 54.538 1   57.916  ? 182 A 1 c
ATOM 3020 H HD2  . ARG Axp A    182 ? 29.725 82.937 54.05  1   57.899  ? 182 A 1 c
ATOM 3021 H HE   . ARG Axp A    182 ? 28.626 83.687 56.427 1   63.36   ? 182 A 1 c
ATOM 3022 H HH11 . ARG Axp A    182 ? 28.906 80.972 54.505 1   77.47   ? 182 A 1 c
ATOM 3023 H HH12 . ARG Axp A    182 ? 28.961 79.996 55.685 1   77.969  ? 182 A 1 c
ATOM 3024 H HH21 . ARG Axp A    182 ? 27.664 81.946 57.85  1   73.525  ? 182 A 1 c
ATOM 3025 H HH22 . ARG Axp A    182 ? 28.719 80.83  57.858 1   73.616  ? 182 A 1 c
ATOM 3026 N N    . ILE Axp A    183 ? 25.779 82.2   50.674 1   56.346  ? 183 A 1 .
ATOM 3027 C CA   . ILE Axp A    183 ? 25.792 82.346 49.232 1   51.177  ? 183 A 1 .
ATOM 3028 C C    . ILE Axp A    183 ? 24.429 82.827 48.772 1   48.037  ? 183 A 1 .
ATOM 3029 O O    . ILE Axp A    183 ? 24.335 83.882 48.184 1   45.555  ? 183 A 1 .
ATOM 3030 C CB   . ILE Axp A    183 ? 26.187 81.033 48.544 1   55.071  ? 183 A 1 .
ATOM 3031 C CG1  . ILE Axp A    183 ? 27.696 80.96  48.326 1   61.854  ? 183 A 1 .
ATOM 3032 C CG2  . ILE Axp A    183 ? 25.419 80.856 47.235 1   50.343  ? 183 A 1 .
ATOM 3033 C CD1  . ILE Axp A    183 ? 28.222 82.066 47.427 1   67.733  ? 183 A 1 .
ATOM 3034 H H    . ILE Axp A    183 ? 25.911 81.371 51.035 1   55.275  ? 183 A 1 c
ATOM 3035 H HA   . ILE Axp A    183 ? 26.452 83.027 49.002 1   52.409  ? 183 A 1 c
ATOM 3036 H HB   . ILE Axp A    183 ? 25.938 80.297 49.137 1   54.617  ? 183 A 1 c
ATOM 3037 H HG12 . ILE Axp A    183 ? 27.918 80.094 47.928 1   61.437  ? 183 A 1 c
ATOM 3038 H HG13 . ILE Axp A    183 ? 28.145 81.017 49.195 1   61.493  ? 183 A 1 c
ATOM 3039 H HG21 . ILE Axp A    183 ? 25.911 80.257 46.65  1   51.725  ? 183 A 1 c
ATOM 3040 H HG22 . ILE Axp A    183 ? 25.314 81.716 46.794 1   51.749  ? 183 A 1 c
ATOM 3041 H HG23 . ILE Axp A    183 ? 24.543 80.476 47.417 1   51.697  ? 183 A 1 c
ATOM 3042 H HD11 . ILE Axp A    183 ? 27.487 82.538 46.993 1   65.452  ? 183 A 1 c
ATOM 3043 H HD12 . ILE Axp A    183 ? 28.801 81.675 46.745 1   65.794  ? 183 A 1 c
ATOM 3044 H HD13 . ILE Axp A    183 ? 28.739 82.697 47.963 1   65.676  ? 183 A 1 c
ATOM 3045 N N    . GLU Axp A    184 ? 23.374 82.075 49.096 1   53.381  ? 184 A 1 .
ATOM 3046 C CA   . GLU Axp A    184 ? 22.023 82.387 48.64  1   56.426  ? 184 A 1 .
ATOM 3047 C C    . GLU Axp A    184 ? 21.562 83.735 49.179 1   50.859  ? 184 A 1 .
ATOM 3048 O O    . GLU Axp A    184 ? 20.447 84.151 48.889 1   47.921  ? 184 A 1 .
ATOM 3049 C CB   . GLU Axp A    184 ? 20.99  81.345 49.081 1   56.784  ? 184 A 1 .
ATOM 3050 C CG   . GLU Axp A    184 ? 21.335 79.942 48.593 1   55.044  ? 184 A 1 .
ATOM 3051 C CD   . GLU Axp A    184 ? 20.497 78.847 49.203 1   52.889  ? 184 A 1 .
ATOM 3052 O OE1  . GLU Axp A    184 ? 19.69  79.167 50.104 1   52.572  ? 184 A 1 .
ATOM 3053 O OE2  . GLU Axp A    184 ? 20.648 77.698 48.741 1   50.409  ? 184 A 1 .
ATOM 3054 H H    . GLU Axp A    184 ? 23.499 81.346 49.633 1   52.774  ? 184 A 1 c
ATOM 3055 H HA   . GLU Axp A    184 ? 22.032 82.428 47.65  1   54.829  ? 184 A 1 c
ATOM 3056 H HB3  . GLU Axp A    184 ? 20.11  81.599 48.731 1   56.211  ? 184 A 1 c
ATOM 3057 H HB2  . GLU Axp A    184 ? 20.936 81.349 50.059 1   56.235  ? 184 A 1 c
ATOM 3058 H HG3  . GLU Axp A    184 ? 22.275 79.756 48.785 1   54.716  ? 184 A 1 c
ATOM 3059 H HG2  . GLU Axp A    184 ? 21.223 79.909 47.619 1   54.883  ? 184 A 1 c
ATOM 3060 N N    . ALA Axp A    185 ? 22.421 84.386 49.97  1   47.933  ? 185 A 1 .
ATOM 3061 C CA   . ALA Axp A    185 ? 22.083 85.658 50.58  1   47.463  ? 185 A 1 .
ATOM 3062 C C    . ALA Axp A    185 ? 22.929 86.778 49.997 1   47.057  ? 185 A 1 .
ATOM 3063 O O    . ALA Axp A    185 ? 23.089 87.812 50.633 1   46.354  ? 185 A 1 .
ATOM 3064 C CB   . ALA Axp A    185 ? 22.3   85.571 52.062 1   50.216  ? 185 A 1 .
ATOM 3065 H H    . ALA Axp A    185 ? 23.234 84.018 50.159 1   48.632  ? 185 A 1 c
ATOM 3066 H HA   . ALA Axp A    185 ? 21.124 85.859 50.398 1   47.991  ? 185 A 1 c
ATOM 3067 H HB3  . ALA Axp A    185 ? 22.024 86.402 52.483 1   49.383  ? 185 A 1 c
ATOM 3068 H HB2  . ALA Axp A    185 ? 23.241 85.414 52.246 1   49.368  ? 185 A 1 c
ATOM 3069 H HB1  . ALA Axp A    185 ? 21.775 84.838 52.426 1   49.382  ? 185 A 1 c
ATOM 3070 N N    . ILE Axp A    186 ? 23.517 86.526 48.826 1   49.933  ? 186 A 1 .
ATOM 3071 C CA   . ILE Axp A    186 ? 24.162 87.547 48.016 1   47.869  ? 186 A 1 .
ATOM 3072 C C    . ILE Axp A    186 ? 23.084 88.108 47.093 1   50.748  ? 186 A 1 .
ATOM 3073 O O    . ILE Axp A    186 ? 22.509 87.375 46.283 1   59.69   ? 186 A 1 .
ATOM 3074 C CB   . ILE Axp A    186 ? 25.328 86.959 47.193 1   46.657  ? 186 A 1 .
ATOM 3075 C CG1  . ILE Axp A    186 ? 26.446 86.343 48.037 1   48.859  ? 186 A 1 .
ATOM 3076 C CG2  . ILE Axp A    186 ? 25.899 87.995 46.241 1   45.655  ? 186 A 1 .
ATOM 3077 C CD1  . ILE Axp A    186 ? 27.473 85.549 47.232 1   46.67   ? 186 A 1 .
ATOM 3078 H H    . ILE Axp A    186 ? 23.521 85.668 48.512 1   48.744  ? 186 A 1 c
ATOM 3079 H HA   . ILE Axp A    186 ? 24.503 88.251 48.596 1   48.602  ? 186 A 1 c
ATOM 3080 H HB   . ILE Axp A    186 ? 24.955 86.241 46.648 1   47.32   ? 186 A 1 c
ATOM 3081 H HG12 . ILE Axp A    186 ? 26.046 85.751 48.705 1   47.845  ? 186 A 1 c
ATOM 3082 H HG13 . ILE Axp A    186 ? 26.909 87.061 48.514 1   47.846  ? 186 A 1 c
ATOM 3083 H HG21 . ILE Axp A    186 ? 26.77  87.706 45.924 1   46.086  ? 186 A 1 c
ATOM 3084 H HG22 . ILE Axp A    186 ? 25.992 88.844 46.704 1   46.246  ? 186 A 1 c
ATOM 3085 H HG23 . ILE Axp A    186 ? 25.302 88.102 45.482 1   46.229  ? 186 A 1 c
ATOM 3086 H HD11 . ILE Axp A    186 ? 27.038 85.127 46.466 1   47.345  ? 186 A 1 c
ATOM 3087 H HD12 . ILE Axp A    186 ? 27.867 84.861 47.8   1   47.494  ? 186 A 1 c
ATOM 3088 H HD13 . ILE Axp A    186 ? 28.177 86.147 46.915 1   47.338  ? 186 A 1 c
ATOM 3089 N N    . PRO Axp A    187 ? 22.84  89.432 47.118 1   50.415  ? 187 A 1 .
ATOM 3090 C CA   . PRO Axp A    187 ? 21.767 90.025 46.332 1   52.831  ? 187 A 1 .
ATOM 3091 C C    . PRO Axp A    187 ? 21.683 89.422 44.937 1   54.066  ? 187 A 1 .
ATOM 3092 O O    . PRO Axp A    187 ? 20.654 88.856 44.588 1   50.435  ? 187 A 1 .
ATOM 3093 C CB   . PRO Axp A    187 ? 22.134 91.507 46.284 1   55.026  ? 187 A 1 .
ATOM 3094 C CG   . PRO Axp A    187 ? 22.933 91.701 47.554 1   55.12   ? 187 A 1 .
ATOM 3095 C CD   . PRO Axp A    187 ? 23.691 90.431 47.771 1   52.828  ? 187 A 1 .
ATOM 3096 H HA   . PRO Axp A    187 ? 20.914 89.907 46.796 1   52.952  ? 187 A 1 c
ATOM 3097 H HB3  . PRO Axp A    187 ? 21.332 92.066 46.285 1   54.66   ? 187 A 1 c
ATOM 3098 H HB2  . PRO Axp A    187 ? 22.668 91.715 45.497 1   55.122  ? 187 A 1 c
ATOM 3099 H HG3  . PRO Axp A    187 ? 22.339 91.877 48.311 1   54.564  ? 187 A 1 c
ATOM 3100 H HG2  . PRO Axp A    187 ? 23.55  92.454 47.461 1   54.564  ? 187 A 1 c
ATOM 3101 H HD3  . PRO Axp A    187 ? 24.572 90.466 47.354 1   52.845  ? 187 A 1 c
ATOM 3102 H HD2  . PRO Axp A    187 ? 23.79  90.239 48.721 1   52.728  ? 187 A 1 c
ATOM 3103 N N    . GLN Axp A    188 ? 22.821 89.462 44.228 1   55.729  ? 188 A 1 .
ATOM 3104 C CA   . GLN Axp A    188 ? 22.958 89.01  42.854 1   58.221  ? 188 A 1 .
ATOM 3105 C C    . GLN Axp A    188 ? 22.394 87.598 42.756 1   65.634  ? 188 A 1 .
ATOM 3106 O O    . GLN Axp A    188 ? 21.407 87.366 42.07  1   72.142  ? 188 A 1 .
ATOM 3107 C CB   . GLN Axp A    188 ? 24.429 88.987 42.426 1   59.311  ? 188 A 1 .
ATOM 3108 C CG   . GLN Axp A    188 ? 25.173 90.309 42.56  1   62.138  ? 188 A 1 .
ATOM 3109 C CD   . GLN Axp A    188 ? 24.941 90.978 43.895 1   79.232  ? 188 A 1 .
ATOM 3110 O OE1  . GLN Axp A    188 ? 25.302 90.452 44.945 1   83.429  ? 188 A 1 .
ATOM 3111 N NE2  . GLN Axp A    188 ? 24.284 92.128 43.884 1   105.498 ? 188 A 1 .
ATOM 3112 H H    . GLN Axp A    188 ? 23.572 89.749 44.659 1   56.309  ? 188 A 1 c
ATOM 3113 H HA   . GLN Axp A    188 ? 22.44  89.614 42.264 1   59.201  ? 188 A 1 c
ATOM 3114 H HB3  . GLN Axp A    188 ? 24.472 88.698 41.491 1   59.712  ? 188 A 1 c
ATOM 3115 H HB2  . GLN Axp A    188 ? 24.898 88.313 42.961 1   59.791  ? 188 A 1 c
ATOM 3116 H HG3  . GLN Axp A    188 ? 24.884 90.917 41.845 1   65.393  ? 188 A 1 c
ATOM 3117 H HG2  . GLN Axp A    188 ? 26.134 90.153 42.448 1   65.058  ? 188 A 1 c
ATOM 3118 H HE21 . GLN Axp A    188 ? 24.545 92.792 44.411 1   96.4    ? 188 A 1 c
ATOM 3119 H HE22 . GLN Axp A    188 ? 23.584 92.233 43.349 1   95.83   ? 188 A 1 c
ATOM 3120 N N    . ILE Axp A    189 ? 22.975 86.681 43.533 1   65.281  ? 189 A 1 .
ATOM 3121 C CA   . ILE Axp A    189 ? 22.571 85.29  43.515 1   63.299  ? 189 A 1 .
ATOM 3122 C C    . ILE Axp A    189 ? 21.088 85.172 43.801 1   62.695  ? 189 A 1 .
ATOM 3123 O O    . ILE Axp A    189 ? 20.445 84.255 43.313 1   66.345  ? 189 A 1 .
ATOM 3124 C CB   . ILE Axp A    189 ? 23.357 84.463 44.538 1   62.703  ? 189 A 1 .
ATOM 3125 C CG1  . ILE Axp A    189 ? 24.857 84.607 44.306 1   64.513  ? 189 A 1 .
ATOM 3126 C CG2  . ILE Axp A    189 ? 22.892 83.005 44.503 1   63.865  ? 189 A 1 .
ATOM 3127 C CD1  . ILE Axp A    189 ? 25.276 84.52  42.846 1   60.871  ? 189 A 1 .
ATOM 3128 H H    . ILE Axp A    189 ? 23.631 86.941 44.113 1   64.694  ? 189 A 1 c
ATOM 3129 H HA   . ILE Axp A    189 ? 22.742 84.93  42.624 1   63.433  ? 189 A 1 c
ATOM 3130 H HB   . ILE Axp A    189 ? 23.157 84.821 45.426 1   63.365  ? 189 A 1 c
ATOM 3131 H HG12 . ILE Axp A    189 ? 25.321 83.906 44.808 1   63.228  ? 189 A 1 c
ATOM 3132 H HG13 . ILE Axp A    189 ? 25.149 85.47  44.663 1   63.123  ? 189 A 1 c
ATOM 3133 H HG21 . ILE Axp A    189 ? 23.609 82.425 44.812 1   63.508  ? 189 A 1 c
ATOM 3134 H HG22 . ILE Axp A    189 ? 22.651 82.759 43.594 1   63.512  ? 189 A 1 c
ATOM 3135 H HG23 . ILE Axp A    189 ? 22.12  82.895 45.083 1   63.44   ? 189 A 1 c
ATOM 3136 H HD11 . ILE Axp A    189 ? 24.767 83.816 42.4   1   61.913  ? 189 A 1 c
ATOM 3137 H HD12 . ILE Axp A    189 ? 26.228 84.311 42.795 1   61.803  ? 189 A 1 c
ATOM 3138 H HD13 . ILE Axp A    189 ? 25.108 85.372 42.402 1   61.917  ? 189 A 1 c
ATOM 3139 N N    . ASP Axp A    190 ? 20.564 86.076 44.62  1   64.29   ? 190 A 1 .
ATOM 3140 C CA   . ASP Axp A    190 ? 19.156 86.036 44.945 1   62.635  ? 190 A 1 .
ATOM 3141 C C    . ASP Axp A    190 ? 18.351 86.388 43.697 1   64.227  ? 190 A 1 .
ATOM 3142 O O    . ASP Axp A    190 ? 17.594 85.562 43.193 1   57.214  ? 190 A 1 .
ATOM 3143 C CB   . ASP Axp A    190 ? 18.89  86.898 46.163 1   62.964  ? 190 A 1 .
ATOM 3144 C CG   . ASP Axp A    190 ? 17.489 86.773 46.717 1   60.469  ? 190 A 1 .
ATOM 3145 O OD1  . ASP Axp A    190 ? 16.631 87.524 46.223 1   58.139  ? 190 A 1 .
ATOM 3146 O OD2  . ASP Axp A    190 ? 17.278 85.9   47.591 1   58.721  ? 190 A 1 .
ATOM 3147 H H    . ASP Axp A    190 ? 21.093 86.713 45.005 1   63.493  ? 190 A 1 c
ATOM 3148 H HA   . ASP Axp A    190 ? 18.93  85.113 45.203 1   63.279  ? 190 A 1 c
ATOM 3149 H HB3  . ASP Axp A    190 ? 19.037 87.838 45.934 1   62.188  ? 190 A 1 c
ATOM 3150 H HB2  . ASP Axp A    190 ? 19.524 86.654 46.87  1   62.283  ? 190 A 1 c
ATOM 3151 N N    . LYS Axp A    191 ? 18.561 87.603 43.173 1   69.713  ? 191 A 1 .
ATOM 3152 C CA   . LYS Axp A    191 ? 17.83  88.085 42.015 1   67.194  ? 191 A 1 .
ATOM 3153 C C    . LYS Axp A    191 ? 17.738 86.995 40.952 1   63.063  ? 191 A 1 .
ATOM 3154 O O    . LYS Axp A    191 ? 16.732 86.937 40.256 1   64.059  ? 191 A 1 .
ATOM 3155 C CB   . LYS Axp A    191 ? 18.471 89.347 41.434 1   70.98   ? 191 A 1 .
ATOM 3156 C CG   . LYS Axp A    191 ? 17.547 90.068 40.477 1   86.438  ? 191 A 1 .
ATOM 3157 C CD   . LYS Axp A    191 ? 18.217 91.159 39.641 1   103.465 ? 191 A 1 .
ATOM 3158 C CE   . LYS Axp A    191 ? 17.488 91.473 38.351 1   107.024 ? 191 A 1 .
ATOM 3159 N NZ   . LYS Axp A    191 ? 18.391 91.807 37.24  1   103.939 ? 191 A 1 .
ATOM 3160 H H    . LYS Axp A    191 ? 19.184 88.15  43.557 1   67.805  ? 191 A 1 c
ATOM 3161 H HA   . LYS Axp A    191 ? 16.91  88.312 42.306 1   67.568  ? 191 A 1 c
ATOM 3162 H HB3  . LYS Axp A    191 ? 19.295 89.104 40.96  1   73.453  ? 191 A 1 c
ATOM 3163 H HB2  . LYS Axp A    191 ? 18.709 89.957 42.165 1   73.349  ? 191 A 1 c
ATOM 3164 H HG3  . LYS Axp A    191 ? 16.817 90.471 40.997 1   86.021  ? 191 A 1 c
ATOM 3165 H HG2  . LYS Axp A    191 ? 17.148 89.407 39.872 1   85.988  ? 191 A 1 c
ATOM 3166 H HD3  . LYS Axp A    191 ? 19.133 90.876 39.429 1   99.942  ? 191 A 1 c
ATOM 3167 H HD2  . LYS Axp A    191 ? 18.275 91.977 40.18  1   100.066 ? 191 A 1 c
ATOM 3168 H HE3  . LYS Axp A    191 ? 16.888 92.225 38.501 1   105.419 ? 191 A 1 c
ATOM 3169 H HE2  . LYS Axp A    191 ? 16.945 90.708 38.088 1   105.197 ? 191 A 1 c
ATOM 3170 H HZ1  . LYS Axp A    191 ? 18.927 91.1   37.057 1   104.845 ? 191 A 1 c
ATOM 3171 H HZ2  . LYS Axp A    191 ? 18.904 92.519 37.465 1   104.87  ? 191 A 1 c
ATOM 3172 H HZ3  . LYS Axp A    191 ? 17.906 92.011 36.502 1   104.87  ? 191 A 1 c
ATOM 3173 N N    . TYR Axp A    192 ? 18.796 86.173 40.828 1   62.426  ? 192 A 1 .
ATOM 3174 C CA   . TYR Axp A    192 ? 18.873 85.091 39.853 1   64.362  ? 192 A 1 .
ATOM 3175 C C    . TYR Axp A    192 ? 17.905 83.971 40.238 1   70.204  ? 192 A 1 .
ATOM 3176 O O    . TYR Axp A    192 ? 16.843 83.844 39.644 1   76.878  ? 192 A 1 .
ATOM 3177 C CB   . TYR Axp A    192 ? 20.325 84.613 39.715 1   60.61   ? 192 A 1 .
ATOM 3178 C CG   . TYR Axp A    192 ? 20.578 83.613 38.593 1   65.434  ? 192 A 1 .
ATOM 3179 C CD1  . TYR Axp A    192 ? 20.695 84.04  37.273 1   70.672  ? 192 A 1 .
ATOM 3180 C CD2  . TYR Axp A    192 ? 20.722 82.249 38.838 1   64.111  ? 192 A 1 .
ATOM 3181 C CE1  . TYR Axp A    192 ? 20.947 83.154 36.235 1   72.526  ? 192 A 1 .
ATOM 3182 C CE2  . TYR Axp A    192 ? 20.972 81.353 37.809 1   65.904  ? 192 A 1 .
ATOM 3183 C CZ   . TYR Axp A    192 ? 21.095 81.806 36.504 1   72.666  ? 192 A 1 .
ATOM 3184 O OH   . TYR Axp A    192 ? 21.331 80.964 35.453 1   76.072  ? 192 A 1 .
ATOM 3185 H H    . TYR Axp A    192 ? 19.521 86.312 41.368 1   63.075  ? 192 A 1 c
ATOM 3186 H HA   . TYR Axp A    192 ? 18.587 85.454 38.973 1   64.358  ? 192 A 1 c
ATOM 3187 H HB3  . TYR Axp A    192 ? 20.603 84.21  40.566 1   62.606  ? 192 A 1 c
ATOM 3188 H HB2  . TYR Axp A    192 ? 20.894 85.401 39.566 1   62.542  ? 192 A 1 c
ATOM 3189 H HD1  . TYR Axp A    192 ? 20.602 84.958 37.079 1   69.633  ? 192 A 1 c
ATOM 3190 H HD2  . TYR Axp A    192 ? 20.656 81.929 39.724 1   64.944  ? 192 A 1 c
ATOM 3191 H HE1  . TYR Axp A    192 ? 21.02  83.469 35.351 1   71.997  ? 192 A 1 c
ATOM 3192 H HE2  . TYR Axp A    192 ? 21.07  80.435 37.997 1   67.055  ? 192 A 1 c
ATOM 3193 H HH   . TYR Axp A    192 ? 21.417 81.351 34.637 0   56.78   ? 192 A 1 c
ATOM 3194 N N    . LEU Axp A    193 ? 18.252 83.193 41.265 1   70.049  ? 193 A 1 .
ATOM 3195 C CA   . LEU Axp A    193 ? 17.479 82.042 41.706 1   63.921  ? 193 A 1 .
ATOM 3196 C C    . LEU Axp A    193 ? 15.979 82.315 41.681 1   76.009  ? 193 A 1 .
ATOM 3197 O O    . LEU Axp A    193 ? 15.199 81.374 41.558 1   82.963  ? 193 A 1 .
ATOM 3198 C CB   . LEU Axp A    193 ? 17.941 81.687 43.117 1   55.933  ? 193 A 1 .
ATOM 3199 C CG   . LEU Axp A    193 ? 19.429 81.364 43.223 1   56.272  ? 193 A 1 .
ATOM 3200 C CD1  . LEU Axp A    193 ? 19.93  81.169 44.624 1   56.965  ? 193 A 1 .
ATOM 3201 C CD2  . LEU Axp A    193 ? 19.678 80.135 42.391 1   65.835  ? 193 A 1 .
ATOM 3202 H H    . LEU Axp A    193 ? 19.003 83.415 41.734 1   68.211  ? 193 A 1 c
ATOM 3203 H HA   . LEU Axp A    193 ? 17.671 81.285 41.097 1   65.552  ? 193 A 1 c
ATOM 3204 H HB3  . LEU Axp A    193 ? 17.424 80.908 43.428 1   57.818  ? 193 A 1 c
ATOM 3205 H HB2  . LEU Axp A    193 ? 17.742 82.449 43.709 1   57.758  ? 193 A 1 c
ATOM 3206 H HG   . LEU Axp A    193 ? 19.942 82.106 42.82  1   58.233  ? 193 A 1 c
ATOM 3207 H HD11 . LEU Axp A    193 ? 19.804 81.988 45.131 1   56.784  ? 193 A 1 c
ATOM 3208 H HD12 . LEU Axp A    193 ? 20.876 80.944 44.604 1   56.871  ? 193 A 1 c
ATOM 3209 H HD13 . LEU Axp A    193 ? 19.436 80.447 45.048 1   56.784  ? 193 A 1 c
ATOM 3210 H HD21 . LEU Axp A    193 ? 19.764 80.387 41.456 1   62.811  ? 193 A 1 c
ATOM 3211 H HD22 . LEU Axp A    193 ? 18.935 79.516 42.49  1   62.73   ? 193 A 1 c
ATOM 3212 H HD23 . LEU Axp A    193 ? 20.498 79.704 42.683 1   62.73   ? 193 A 1 c
ATOM 3213 N N    . LYS Axp A    194 ? 15.588 83.59  41.845 1   79.852  ? 194 A 1 .
ATOM 3214 C CA   . LYS Axp A    194 ? 14.187 83.978 41.912 1   86.593  ? 194 A 1 .
ATOM 3215 C C    . LYS Axp A    194 ? 13.608 84.284 40.532 1   86.828  ? 194 A 1 .
ATOM 3216 O O    . LYS Axp A    194 ? 12.394 84.434 40.405 1   95.316  ? 194 A 1 .
ATOM 3217 C CB   . LYS Axp A    194 ? 14.03  85.165 42.872 1   92.742  ? 194 A 1 .
ATOM 3218 C CG   . LYS Axp A    194 ? 14.081 84.715 44.325 1   98.158  ? 194 A 1 .
ATOM 3219 C CD   . LYS Axp A    194 ? 14.074 85.752 45.443 1   93.383  ? 194 A 1 .
ATOM 3220 C CE   . LYS Axp A    194 ? 14.434 85.047 46.729 1   91.622  ? 194 A 1 .
ATOM 3221 N NZ   . LYS Axp A    194 ? 14.703 85.911 47.882 1   92.567  ? 194 A 1 .
ATOM 3222 H H    . LYS Axp A    194 ? 16.222 84.24  41.948 1   80.264  ? 194 A 1 c
ATOM 3223 H HA   . LYS Axp A    194 ? 13.677 83.219 42.294 1   86.394  ? 194 A 1 c
ATOM 3224 H HB3  . LYS Axp A    194 ? 13.172 85.61  42.706 1   92.48   ? 194 A 1 c
ATOM 3225 H HB2  . LYS Axp A    194 ? 14.748 85.815 42.713 1   92.42   ? 194 A 1 c
ATOM 3226 H HG3  . LYS Axp A    194 ? 14.887 84.165 44.43  1   95.633  ? 194 A 1 c
ATOM 3227 H HG2  . LYS Axp A    194 ? 13.318 84.114 44.471 1   95.692  ? 194 A 1 c
ATOM 3228 H HD3  . LYS Axp A    194 ? 13.181 86.153 45.525 1   93.965  ? 194 A 1 c
ATOM 3229 H HD2  . LYS Axp A    194 ? 14.731 86.455 45.253 1   93.713  ? 194 A 1 c
ATOM 3230 H HE3  . LYS Axp A    194 ? 15.223 84.497 46.576 1   92.087  ? 194 A 1 c
ATOM 3231 H HE2  . LYS Axp A    194 ? 13.705 84.445 46.964 1   92.215  ? 194 A 1 c
ATOM 3232 H HZ1  . LYS Axp A    194 ? 14.003 85.876 48.456 1   92.19   ? 194 A 1 c
ATOM 3233 H HZ2  . LYS Axp A    194 ? 14.818 86.767 47.611 1   92.057  ? 194 A 1 c
ATOM 3234 H HZ3  . LYS Axp A    194 ? 15.449 85.628 48.312 1   92.044  ? 194 A 1 c
ATOM 3235 N N    . SER Axp A    195 ? 14.465 84.342 39.505 1   81.015  ? 195 A 1 .
ATOM 3236 C CA   . SER Axp A    195 ? 14.074 84.811 38.187 1   77.241  ? 195 A 1 .
ATOM 3237 C C    . SER Axp A    195 ? 13.728 83.639 37.275 1   81.486  ? 195 A 1 .
ATOM 3238 O O    . SER Axp A    195 ? 13.376 82.554 37.733 1   82.057  ? 195 A 1 .
ATOM 3239 C CB   . SER Axp A    195 ? 15.16  85.66  37.591 1   72.411  ? 195 A 1 .
ATOM 3240 O OG   . SER Axp A    195 ? 16.328 84.876 37.399 1   61.927  ? 195 A 1 .
ATOM 3241 H H    . SER Axp A    195 ? 15.328 84.073 39.629 1   81.282  ? 195 A 1 c
ATOM 3242 H HA   . SER Axp A    195 ? 13.264 85.373 38.286 1   77.923  ? 195 A 1 c
ATOM 3243 H HB3  . SER Axp A    195 ? 15.36  86.399 38.194 1   70.803  ? 195 A 1 c
ATOM 3244 H HB2  . SER Axp A    195 ? 14.865 86.033 36.741 1   71.022  ? 195 A 1 c
ATOM 3245 H HG   . SER Axp A    195 ? 16.739 85.452 37.065 0   61.27   ? 195 A 1 c
ATOM 3246 N N    . SER Axp A    196 ? 13.793 83.918 35.967 1   90.633  ? 196 A 1 .
ATOM 3247 C CA   . SER Axp A    196 ? 13.323 83.04  34.909 1   89.91   ? 196 A 1 .
ATOM 3248 C C    . SER Axp A    196 ? 14.488 82.241 34.336 1   90.072  ? 196 A 1 .
ATOM 3249 O O    . SER Axp A    196 ? 14.324 81.071 34.001 1   84.329  ? 196 A 1 .
ATOM 3250 C CB   . SER Axp A    196 ? 12.686 83.867 33.832 1   87.791  ? 196 A 1 .
ATOM 3251 O OG   . SER Axp A    196 ? 13.618 84.849 33.39  1   83.837  ? 196 A 1 .
ATOM 3252 H H    . SER Axp A    196 ? 14.139 84.725 35.717 1   87.775  ? 196 A 1 c
ATOM 3253 H HA   . SER Axp A    196 ? 12.651 82.414 35.28  1   89.592  ? 196 A 1 c
ATOM 3254 H HB3  . SER Axp A    196 ? 11.887 84.304 34.182 1   87.308  ? 196 A 1 c
ATOM 3255 H HB2  . SER Axp A    196 ? 12.43  83.294 33.085 1   87.32   ? 196 A 1 c
ATOM 3256 H HG   . SER Axp A    196 ? 13.024 85.078 32.672 0   59.49   ? 196 A 1 c
ATOM 3257 N N    . LYS Axp A    197 ? 15.645 82.914 34.229 1   87.496  ? 197 A 1 .
ATOM 3258 C CA   . LYS Axp A    197 ? 16.875 82.372 33.67  1   80.296  ? 197 A 1 .
ATOM 3259 C C    . LYS Axp A    197 ? 17.289 81.106 34.412 1   73.659  ? 197 A 1 .
ATOM 3260 O O    . LYS Axp A    197 ? 17.901 80.218 33.826 1   77.413  ? 197 A 1 .
ATOM 3261 C CB   . LYS Axp A    197 ? 17.991 83.422 33.776 1   79.181  ? 197 A 1 .
ATOM 3262 C CG   . LYS Axp A    197 ? 17.691 84.729 33.049 1   83.901  ? 197 A 1 .
ATOM 3263 C CD   . LYS Axp A    197 ? 18.637 85.9   33.297 1   84.579  ? 197 A 1 .
ATOM 3264 C CE   . LYS Axp A    197 ? 18.135 87.128 32.586 1   85.087  ? 197 A 1 .
ATOM 3265 N NZ   . LYS Axp A    197 ? 18.903 88.324 32.931 1   86.984  ? 197 A 1 .
ATOM 3266 H H    . LYS Axp A    197 ? 15.664 83.774 34.535 1   86.365  ? 197 A 1 c
ATOM 3267 H HA   . LYS Axp A    197 ? 16.719 82.151 32.717 1   80.174  ? 197 A 1 c
ATOM 3268 H HB3  . LYS Axp A    197 ? 18.818 83.044 33.409 1   80.491  ? 197 A 1 c
ATOM 3269 H HB2  . LYS Axp A    197 ? 18.148 83.622 34.724 1   80.491  ? 197 A 1 c
ATOM 3270 H HG3  . LYS Axp A    197 ? 16.784 85.013 33.291 1   83.018  ? 197 A 1 c
ATOM 3271 H HG2  . LYS Axp A    197 ? 17.681 84.541 32.085 1   82.961  ? 197 A 1 c
ATOM 3272 H HD3  . LYS Axp A    197 ? 19.534 85.675 32.965 1   84.544  ? 197 A 1 c
ATOM 3273 H HD2  . LYS Axp A    197 ? 18.693 86.08  34.26  1   84.554  ? 197 A 1 c
ATOM 3274 H HE3  . LYS Axp A    197 ? 17.201 87.277 32.819 1   85.401  ? 197 A 1 c
ATOM 3275 H HE2  . LYS Axp A    197 ? 18.186 86.987 31.624 1   85.414  ? 197 A 1 c
ATOM 3276 H HZ1  . LYS Axp A    197 ? 19.752 88.242 32.624 1   86.393  ? 197 A 1 c
ATOM 3277 H HZ2  . LYS Axp A    197 ? 18.921 88.428 33.831 1   86.383  ? 197 A 1 c
ATOM 3278 H HZ3  . LYS Axp A    197 ? 18.52  89.053 32.554 1   86.393  ? 197 A 1 c
ATOM 3279 N N    . TYR Axp A    198 ? 16.947 81.045 35.703 1   66.838  ? 198 A 1 .
ATOM 3280 C CA   . TYR Axp A    198 ? 17.397 79.98  36.576 1   69.025  ? 198 A 1 .
ATOM 3281 C C    . TYR Axp A    198 ? 16.836 78.634 36.118 1   63.563  ? 198 A 1 .
ATOM 3282 O O    . TYR Axp A    198 ? 15.636 78.467 35.949 1   54.849  ? 198 A 1 .
ATOM 3283 C CB   . TYR Axp A    198 ? 16.993 80.324 38.016 1   74.84   ? 198 A 1 .
ATOM 3284 C CG   . TYR Axp A    198 ? 17.205 79.165 38.983 1   82.04   ? 198 A 1 .
ATOM 3285 C CD1  . TYR Axp A    198 ? 18.493 78.744 39.317 1   92.504  ? 198 A 1 .
ATOM 3286 C CD2  . TYR Axp A    198 ? 16.133 78.469 39.532 1   69.329  ? 198 A 1 .
ATOM 3287 C CE1  . TYR Axp A    198 ? 18.71  77.676 40.172 1   80.508  ? 198 A 1 .
ATOM 3288 C CE2  . TYR Axp A    198 ? 16.335 77.403 40.392 1   67.239  ? 198 A 1 .
ATOM 3289 C CZ   . TYR Axp A    198 ? 17.625 77.013 40.713 1   73.187  ? 198 A 1 .
ATOM 3290 O OH   . TYR Axp A    198 ? 17.856 75.986 41.574 1   84.304  ? 198 A 1 .
ATOM 3291 H H    . TYR Axp A    198 ? 16.426 81.706 36.058 1   69.302  ? 198 A 1 c
ATOM 3292 H HA   . TYR Axp A    198 ? 18.389 79.942 36.531 1   68.549  ? 198 A 1 c
ATOM 3293 H HB3  . TYR Axp A    198 ? 16.044 80.579 38.025 1   74.94   ? 198 A 1 c
ATOM 3294 H HB2  . TYR Axp A    198 ? 17.523 81.095 38.316 1   75.015  ? 198 A 1 c
ATOM 3295 H HD1  . TYR Axp A    198 ? 19.235 79.194 38.947 1   86.679  ? 198 A 1 c
ATOM 3296 H HD2  . TYR Axp A    198 ? 15.251 78.729 39.317 1   71.785  ? 198 A 1 c
ATOM 3297 H HE1  . TYR Axp A    198 ? 19.587 77.415 40.398 1   81.212  ? 198 A 1 c
ATOM 3298 H HE2  . TYR Axp A    198 ? 15.599 76.952 40.768 1   69.459  ? 198 A 1 c
ATOM 3299 H HH   . TYR Axp A    198 ? 18.607 75.779 41.737 0   56.37   ? 198 A 1 c
ATOM 3300 N N    . ILE Axp A    199 ? 17.719 77.646 35.992 1   66.68   ? 199 A 1 .
ATOM 3301 C CA   . ILE Axp A    199 ? 17.3   76.295 35.68  1   71.394  ? 199 A 1 .
ATOM 3302 C C    . ILE Axp A    199 ? 17.27  75.493 36.971 1   74.282  ? 199 A 1 .
ATOM 3303 O O    . ILE Axp A    199 ? 18.317 75.264 37.563 1   82.316  ? 199 A 1 .
ATOM 3304 C CB   . ILE Axp A    199 ? 18.271 75.664 34.675 1   78.852  ? 199 A 1 .
ATOM 3305 C CG1  . ILE Axp A    199 ? 18.292 76.449 33.368 1   75.25   ? 199 A 1 .
ATOM 3306 C CG2  . ILE Axp A    199 ? 17.952 74.176 34.473 1   80.086  ? 199 A 1 .
ATOM 3307 C CD1  . ILE Axp A    199 ? 19.339 75.94  32.397 1   79.614  ? 199 A 1 .
ATOM 3308 H H    . ILE Axp A    199 ? 18.61  77.817 36.102 1   66.979  ? 199 A 1 c
ATOM 3309 H HA   . ILE Axp A    199 ? 16.406 76.315 35.288 1   72.119  ? 199 A 1 c
ATOM 3310 H HB   . ILE Axp A    199 ? 19.168 75.721 35.061 1   76.983  ? 199 A 1 c
ATOM 3311 H HG12 . ILE Axp A    199 ? 18.471 77.391 33.564 1   76.979  ? 199 A 1 c
ATOM 3312 H HG13 . ILE Axp A    199 ? 17.41  76.389 32.947 1   77.03   ? 199 A 1 c
ATOM 3313 H HG21 . ILE Axp A    199 ? 18.314 73.873 33.625 1   79.66   ? 199 A 1 c
ATOM 3314 H HG22 . ILE Axp A    199 ? 16.988 74.046 34.475 1   79.63   ? 199 A 1 c
ATOM 3315 H HG23 . ILE Axp A    199 ? 18.348 73.657 35.193 1   79.667  ? 199 A 1 c
ATOM 3316 H HD11 . ILE Axp A    199 ? 20.159 75.735 32.885 1   78.134  ? 199 A 1 c
ATOM 3317 H HD12 . ILE Axp A    199 ? 19.524 76.625 31.727 1   78.25   ? 199 A 1 c
ATOM 3318 H HD13 . ILE Axp A    199 ? 19.018 75.133 31.954 1   78.205  ? 199 A 1 c
ATOM 3319 N N    . ALA Axp A    200 ? 16.086 75.04  37.386 1   75.595  ? 200 A 1 .
ATOM 3320 C CA   . ALA Axp A    200 ? 15.959 74.321 38.645 1   72.523  ? 200 A 1 .
ATOM 3321 C C    . ALA Axp A    200 ? 16.105 72.812 38.443 1   62.81   ? 200 A 1 .
ATOM 3322 O O    . ALA Axp A    200 ? 16.349 72.072 39.387 1   59.22   ? 200 A 1 .
ATOM 3323 C CB   . ALA Axp A    200 ? 14.646 74.68  39.313 1   75.018  ? 200 A 1 .
ATOM 3324 H H    . ALA Axp A    200 ? 15.339 75.181 36.878 1   74.463  ? 200 A 1 c
ATOM 3325 H HA   . ALA Axp A    200 ? 16.701 74.617 39.242 1   71.725  ? 200 A 1 c
ATOM 3326 H HB3  . ALA Axp A    200 ? 14.712 74.522 40.27  1   74.24   ? 200 A 1 c
ATOM 3327 H HB2  . ALA Axp A    200 ? 13.932 74.132 38.946 1   74.185  ? 200 A 1 c
ATOM 3328 H HB1  . ALA Axp A    200 ? 14.444 75.617 39.156 1   74.195  ? 200 A 1 c
ATOM 3329 N N    . TRP Axp A    201 ? 15.935 72.327 37.218 1   65.097  ? 201 A 1 .
ATOM 3330 C CA   . TRP Axp A    201 ? 15.974 70.888 37.011 1   66.118  ? 201 A 1 .
ATOM 3331 C C    . TRP Axp A    201 ? 16.162 70.593 35.524 1   65.953  ? 201 A 1 .
ATOM 3332 O O    . TRP Axp A    201 ? 15.776 71.397 34.679 1   66.734  ? 201 A 1 .
ATOM 3333 C CB   . TRP Axp A    201 ? 14.703 70.228 37.579 1   63.621  ? 201 A 1 .
ATOM 3334 C CG   . TRP Axp A    201 ? 14.894 68.755 37.804 1   66.009  ? 201 A 1 .
ATOM 3335 C CD1  . TRP Axp A    201 ? 14.633 67.737 36.934 1   73.766  ? 201 A 1 .
ATOM 3336 C CD2  . TRP Axp A    201 ? 15.516 68.141 38.947 1   73.091  ? 201 A 1 .
ATOM 3337 N NE1  . TRP Axp A    201 ? 15.026 66.532 37.455 1   74.228  ? 201 A 1 .
ATOM 3338 C CE2  . TRP Axp A    201 ? 15.574 66.748 38.689 1   73.318  ? 201 A 1 .
ATOM 3339 C CE3  . TRP Axp A    201 ? 16.027 68.632 40.152 1   79.471  ? 201 A 1 .
ATOM 3340 C CZ2  . TRP Axp A    201 ? 16.125 65.846 39.595 1   69.43   ? 201 A 1 .
ATOM 3341 C CZ3  . TRP Axp A    201 ? 16.582 67.739 41.045 1   78.605  ? 201 A 1 .
ATOM 3342 C CH2  . TRP Axp A    201 ? 16.641 66.37  40.76  1   71.234  ? 201 A 1 .
ATOM 3343 H H    . TRP Axp A    201 ? 15.79  72.883 36.507 1   64.97   ? 201 A 1 c
ATOM 3344 H HA   . TRP Axp A    201 ? 16.758 70.529 37.505 1   65.469  ? 201 A 1 c
ATOM 3345 H HB3  . TRP Axp A    201 ? 13.967 70.363 36.945 1   64.721  ? 201 A 1 c
ATOM 3346 H HB2  . TRP Axp A    201 ? 14.471 70.655 38.43  1   64.68   ? 201 A 1 c
ATOM 3347 H HD1  . TRP Axp A    201 ? 14.234 67.843 36.084 1   72.004  ? 201 A 1 c
ATOM 3348 H HE1  . TRP Axp A    201 ? 14.931 65.756 37.068 1   73.815  ? 201 A 1 c
ATOM 3349 H HE3  . TRP Axp A    201 ? 16.001 69.554 40.344 1   77.463  ? 201 A 1 c
ATOM 3350 H HZ2  . TRP Axp A    201 ? 16.169 64.925 39.405 1   70.833  ? 201 A 1 c
ATOM 3351 H HZ3  . TRP Axp A    201 ? 16.93  68.056 41.861 1   76.901  ? 201 A 1 c
ATOM 3352 H HH2  . TRP Axp A    201 ? 17.011 65.786 41.398 1   72.492  ? 201 A 1 c
ATOM 3353 N N    . PRO Axp A    202 ? 16.782 69.463 35.124 1   66.429  ? 202 A 1 .
ATOM 3354 C CA   . PRO Axp A    202 ? 17.483 68.539 36.022 1   73.655  ? 202 A 1 .
ATOM 3355 C C    . PRO Axp A    202 ? 18.938 68.888 36.338 1   70.479  ? 202 A 1 .
ATOM 3356 O O    . PRO Axp A    202 ? 19.486 69.867 35.844 1   73.518  ? 202 A 1 .
ATOM 3357 C CB   . PRO Axp A    202 ? 17.448 67.215 35.26  1   79.233  ? 202 A 1 .
ATOM 3358 C CG   . PRO Axp A    202 ? 17.56  67.724 33.827 1   80.911  ? 202 A 1 .
ATOM 3359 C CD   . PRO Axp A    202 ? 16.744 68.982 33.739 1   68.219  ? 202 A 1 .
ATOM 3360 H HA   . PRO Axp A    202 ? 16.992 68.447 36.851 1   72.468  ? 202 A 1 c
ATOM 3361 H HB3  . PRO Axp A    202 ? 16.608 66.74  35.404 1   78.23   ? 202 A 1 c
ATOM 3362 H HB2  . PRO Axp A    202 ? 18.203 66.642 35.495 1   78.096  ? 202 A 1 c
ATOM 3363 H HG3  . PRO Axp A    202 ? 17.222 67.055 33.198 1   77.327  ? 202 A 1 c
ATOM 3364 H HG2  . PRO Axp A    202 ? 18.488 67.911 33.61  1   76.88   ? 202 A 1 c
ATOM 3365 H HD3  . PRO Axp A    202 ? 17.139 69.632 33.134 1   70.077  ? 202 A 1 c
ATOM 3366 H HD2  . PRO Axp A    202 ? 15.826 68.795 33.461 1   70.381  ? 202 A 1 c
ATOM 3367 N N    . LEU Axp A    203 ? 19.582 68.047 37.151 1   65.748  ? 203 A 1 .
ATOM 3368 C CA   . LEU Axp A    203 ? 20.937 68.326 37.597 1   65.25   ? 203 A 1 .
ATOM 3369 C C    . LEU Axp A    203 ? 21.913 67.776 36.562 1   69.88   ? 203 A 1 .
ATOM 3370 O O    . LEU Axp A    203 ? 23.011 68.32  36.413 1   78.776  ? 203 A 1 .
ATOM 3371 C CB   . LEU Axp A    203 ? 21.192 67.753 38.994 1   60.79   ? 203 A 1 .
ATOM 3372 C CG   . LEU Axp A    203 ? 20.093 68.024 40.035 1   54.671  ? 203 A 1 .
ATOM 3373 C CD1  . LEU Axp A    203 ? 20.276 67.242 41.332 1   52.408  ? 203 A 1 .
ATOM 3374 C CD2  . LEU Axp A    203 ? 19.992 69.5   40.332 1   52.504  ? 203 A 1 .
ATOM 3375 H H    . LEU Axp A    203 ? 19.166 67.287 37.441 1   66.764  ? 203 A 1 c
ATOM 3376 H HA   . LEU Axp A    203 ? 21.051 69.309 37.635 1   65.282  ? 203 A 1 c
ATOM 3377 H HB3  . LEU Axp A    203 ? 22.039 68.127 39.331 1   60.314  ? 203 A 1 c
ATOM 3378 H HB2  . LEU Axp A    203 ? 21.304 66.78  38.912 1   60.557  ? 203 A 1 c
ATOM 3379 H HG   . LEU Axp A    203 ? 19.227 67.741 39.644 1   55.017  ? 203 A 1 c
ATOM 3380 H HD11 . LEU Axp A    203 ? 20.393 66.298 41.129 1   53.064  ? 203 A 1 c
ATOM 3381 H HD12 . LEU Axp A    203 ? 19.492 67.357 41.895 1   53.065  ? 203 A 1 c
ATOM 3382 H HD13 . LEU Axp A    203 ? 21.061 67.57  41.802 1   53.064  ? 203 A 1 c
ATOM 3383 H HD21 . LEU Axp A    203 ? 19.561 69.952 39.587 1   53.176  ? 203 A 1 c
ATOM 3384 H HD22 . LEU Axp A    203 ? 20.882 69.867 40.463 1   53.241  ? 203 A 1 c
ATOM 3385 H HD23 . LEU Axp A    203 ? 19.466 69.635 41.139 1   53.161  ? 203 A 1 c
ATOM 3386 N N    . GLN Axp A    204 ? 21.487 66.712 35.854 1   73.264  ? 204 A 1 .
ATOM 3387 C CA   . GLN Axp A    204 ? 22.287 66.109 34.794 1   79.751  ? 204 A 1 .
ATOM 3388 C C    . GLN Axp A    204 ? 21.462 65.965 33.515 1   83.44   ? 204 A 1 .
ATOM 3389 O O    . GLN Axp A    204 ? 20.493 66.687 33.287 1   76.877  ? 204 A 1 .
ATOM 3390 C CB   . GLN Axp A    204 ? 22.888 64.762 35.205 1   76.158  ? 204 A 1 .
ATOM 3391 C CG   . GLN Axp A    204 ? 24.109 64.879 36.103 1   79.817  ? 204 A 1 .
ATOM 3392 C CD   . GLN Axp A    204 ? 23.714 65.276 37.497 1   82.301  ? 204 A 1 .
ATOM 3393 O OE1  . GLN Axp A    204 ? 22.529 65.256 37.824 1   95.106  ? 204 A 1 .
ATOM 3394 N NE2  . GLN Axp A    204 ? 24.688 65.603 38.33  1   88.044  ? 204 A 1 .
ATOM 3395 H H    . GLN Axp A    204 ? 20.674 66.342 36.048 1   73.651  ? 204 A 1 c
ATOM 3396 H HA   . GLN Axp A    204 ? 23.041 66.719 34.596 1   78.391  ? 204 A 1 c
ATOM 3397 H HB3  . GLN Axp A    204 ? 23.143 64.264 34.405 1   78.048  ? 204 A 1 c
ATOM 3398 H HB2  . GLN Axp A    204 ? 22.2   64.24  35.668 1   77.958  ? 204 A 1 c
ATOM 3399 H HG3  . GLN Axp A    204 ? 24.725 65.549 35.736 1   79.526  ? 204 A 1 c
ATOM 3400 H HG2  . GLN Axp A    204 ? 24.579 64.018 36.132 1   79.532  ? 204 A 1 c
ATOM 3401 H HE21 . GLN Axp A    204 ? 24.515 66.153 39.002 1   84.725  ? 204 A 1 c
ATOM 3402 H HE22 . GLN Axp A    204 ? 25.497 65.259 38.217 1   85.284  ? 204 A 1 c
ATOM 3403 N N    . GLY Axp A    205 ? 21.917 65.074 32.634 1   92.146  ? 205 A 1 .
ATOM 3404 C CA   . GLY Axp A    205 ? 21.186 64.784 31.419 1   98.719  ? 205 A 1 .
ATOM 3405 C C    . GLY Axp A    205 ? 19.814 64.199 31.739 1   93.739  ? 205 A 1 .
ATOM 3406 O O    . GLY Axp A    205 ? 19.694 63.264 32.533 1   96.437  ? 205 A 1 .
ATOM 3407 H H    . GLY Axp A    205 ? 22.72  64.662 32.769 1   91.058  ? 205 A 1 c
ATOM 3408 H HA3  . GLY Axp A    205 ? 21.702 64.146 30.877 1   96.145  ? 205 A 1 c
ATOM 3409 H HA2  . GLY Axp A    205 ? 21.083 65.614 30.897 1   95.673  ? 205 A 1 c
ATOM 3410 N N    . TRP Axp A    206 ? 18.782 64.755 31.107 1   77.168  ? 206 A 1 .
ATOM 3411 C CA   . TRP Axp A    206 ? 17.454 64.175 31.182 1   74.938  ? 206 A 1 .
ATOM 3412 C C    . TRP Axp A    206 ? 17.506 62.638 31.19  1   88.239  ? 206 A 1 .
ATOM 3413 O O    . TRP Axp A    206 ? 16.807 61.992 31.96  1   85.525  ? 206 A 1 .
ATOM 3414 C CB   . TRP Axp A    206 ? 16.637 64.7   30.005 1   64.229  ? 206 A 1 .
ATOM 3415 C CG   . TRP Axp A    206 ? 16.554 66.197 29.965 1   59.956  ? 206 A 1 .
ATOM 3416 C CD1  . TRP Axp A    206 ? 15.61  66.973 30.564 1   60.723  ? 206 A 1 .
ATOM 3417 C CD2  . TRP Axp A    206 ? 17.41  67.103 29.244 1   64.527  ? 206 A 1 .
ATOM 3418 N NE1  . TRP Axp A    206 ? 15.812 68.296 30.281 1   60.061  ? 206 A 1 .
ATOM 3419 C CE2  . TRP Axp A    206 ? 16.904 68.407 29.464 1   68.442  ? 206 A 1 .
ATOM 3420 C CE3  . TRP Axp A    206 ? 18.543 66.953 28.441 1   64.47   ? 206 A 1 .
ATOM 3421 C CZ2  . TRP Axp A    206 ? 17.499 69.542 28.914 1   73.199  ? 206 A 1 .
ATOM 3422 C CZ3  . TRP Axp A    206 ? 19.121 68.079 27.889 1   68.294  ? 206 A 1 .
ATOM 3423 C CH2  . TRP Axp A    206 ? 18.611 69.357 28.123 1   70.263  ? 206 A 1 .
ATOM 3424 H H    . TRP Axp A    206 ? 18.911 65.517 30.622 1   80.052  ? 206 A 1 c
ATOM 3425 H HA   . TRP Axp A    206 ? 17.024 64.483 32.025 1   75.467  ? 206 A 1 c
ATOM 3426 H HB3  . TRP Axp A    206 ? 15.73  64.331 30.064 1   65.472  ? 206 A 1 c
ATOM 3427 H HB2  . TRP Axp A    206 ? 17.047 64.38  29.173 1   65.472  ? 206 A 1 c
ATOM 3428 H HD1  . TRP Axp A    206 ? 14.904 66.646 31.099 1   60.512  ? 206 A 1 c
ATOM 3429 H HE1  . TRP Axp A    206 ? 15.321 68.958 30.569 1   62.143  ? 206 A 1 c
ATOM 3430 H HE3  . TRP Axp A    206 ? 18.898 66.097 28.272 1   65.406  ? 206 A 1 c
ATOM 3431 H HZ2  . TRP Axp A    206 ? 17.147 70.401 29.07  1   71.133  ? 206 A 1 c
ATOM 3432 H HZ3  . TRP Axp A    206 ? 19.885 67.983 27.344 1   67.811  ? 206 A 1 c
ATOM 3433 H HH2  . TRP Axp A    206 ? 19.029 70.101 27.732 1   70.468  ? 206 A 1 c
ATOM 3434 N N    . GLN Axp A    207 ? 18.364 62.057 30.342 1   102.274 ? 207 A 1 .
ATOM 3435 C CA   . GLN Axp A    207 ? 18.541 60.616 30.205 1   99.962  ? 207 A 1 .
ATOM 3436 C C    . GLN Axp A    207 ? 18.888 59.955 31.545 1   97.26   ? 207 A 1 .
ATOM 3437 O O    . GLN Axp A    207 ? 18.458 58.839 31.802 1   104.659 ? 207 A 1 .
ATOM 3438 C CB   . GLN Axp A    207 ? 19.645 60.261 29.198 1   107.575 ? 207 A 1 .
ATOM 3439 C CG   . GLN Axp A    207 ? 19.971 61.329 28.149 1   114.285 ? 207 A 1 .
ATOM 3440 C CD   . GLN Axp A    207 ? 21.039 62.327 28.573 1   118.158 ? 207 A 1 .
ATOM 3441 O OE1  . GLN Axp A    207 ? 21.723 62.157 29.586 1   135.711 ? 207 A 1 .
ATOM 3442 N NE2  . GLN Axp A    207 ? 21.241 63.37  27.779 1   112.955 ? 207 A 1 .
ATOM 3443 H H    . GLN Axp A    207 ? 18.863 62.604 29.809 1   98.294  ? 207 A 1 c
ATOM 3444 H HA   . GLN Axp A    207 ? 17.688 60.231 29.879 1   101.254 ? 207 A 1 c
ATOM 3445 H HB3  . GLN Axp A    207 ? 19.376 59.443 28.731 1   107.286 ? 207 A 1 c
ATOM 3446 H HB2  . GLN Axp A    207 ? 20.463 60.053 29.697 1   107.406 ? 207 A 1 c
ATOM 3447 H HG3  . GLN Axp A    207 ? 19.153 61.82  27.922 1   113.389 ? 207 A 1 c
ATOM 3448 H HG2  . GLN Axp A    207 ? 20.279 60.884 27.331 1   113.558 ? 207 A 1 c
ATOM 3449 H HE21 . GLN Axp A    207 ? 22.003 63.822 27.827 1   114.681 ? 207 A 1 c
ATOM 3450 H HE22 . GLN Axp A    207 ? 20.614 63.614 27.201 1   114.565 ? 207 A 1 c
ATOM 3451 N N    . ALA Axp A    208 ? 19.682 60.632 32.385 1   96.861  ? 208 A 1 .
ATOM 3452 C CA   . ALA Axp A    208 ? 20.177 60.095 33.648 1   98.896  ? 208 A 1 .
ATOM 3453 C C    . ALA Axp A    208 ? 19.062 59.604 34.575 1   91.057  ? 208 A 1 .
ATOM 3454 O O    . ALA Axp A    208 ? 17.886 59.84  34.338 1   100.127 ? 208 A 1 .
ATOM 3455 C CB   . ALA Axp A    208 ? 20.964 61.171 34.35  1   108.221 ? 208 A 1 .
ATOM 3456 H H    . ALA Axp A    208 ? 19.938 61.477 32.149 1   97.531  ? 208 A 1 c
ATOM 3457 H HA   . ALA Axp A    208 ? 20.777 59.326 33.447 1   98.624  ? 208 A 1 c
ATOM 3458 H HB3  . ALA Axp A    208 ? 21.661 60.766 34.893 1   105.12  ? 208 A 1 c
ATOM 3459 H HB2  . ALA Axp A    208 ? 20.372 61.686 34.925 1   105.15  ? 208 A 1 c
ATOM 3460 H HB1  . ALA Axp A    208 ? 21.367 61.764 33.7   1   104.967 ? 208 A 1 c
ATOM 3461 N N    . THR Axp A    209 ? 19.471 58.969 35.679 1   87.703  ? 209 A 1 .
ATOM 3462 C CA   . THR Axp A    209 ? 18.59  58.52  36.753 1   88.752  ? 209 A 1 .
ATOM 3463 C C    . THR Axp A    209 ? 18.197 59.675 37.692 1   108.693 ? 209 A 1 .
ATOM 3464 O O    . THR Axp A    209 ? 16.97  59.772 37.944 1   106.075 ? 209 A 1 .
ATOM 3465 C CB   . THR Axp A    209 ? 19.303 57.401 37.519 1   78.258  ? 209 A 1 .
ATOM 3466 O OG1  . THR Axp A    209 ? 19.767 56.415 36.591 1   68.621  ? 209 A 1 .
ATOM 3467 C CG2  . THR Axp A    209 ? 18.438 56.838 38.631 1   70.801  ? 209 A 1 .
ATOM 3468 O OXT  . THR Axp A    209 ? 19.117 60.432 38.2   1   111.294 ? 209 A 1 .
ATOM 3469 H H    . THR Axp A    209 ? 20.366 58.803 35.767 1   88.813  ? 209 A 1 c
ATOM 3470 H HA   . THR Axp A    209 ? 17.774 58.15  36.349 1   89.931  ? 209 A 1 c
ATOM 3471 H HB   . THR Axp A    209 ? 20.089 57.799 37.963 1   76.691  ? 209 A 1 c
ATOM 3472 H HG1  . THR Axp A    209 ? 19.424 55.86  35.448 0   72.06   ? 209 A 1 c
ATOM 3473 H HG21 . THR Axp A    209 ? 18.684 55.913 38.796 1   72.984  ? 209 A 1 c
ATOM 3474 H HG22 . THR Axp A    209 ? 17.503 56.882 38.37  1   73.049  ? 209 A 1 c
ATOM 3475 H HG23 . THR Axp A    209 ? 18.572 57.358 39.441 1   73.087  ? 209 A 1 c
ATOM 3476 C CB1  . GSH Ax1 GSH! .   ? 33.666 67.527 28.721 1   63.827  ? 500 A 1 .
ATOM 3477 C CB2  . GSH Ax1 GSH! .   ? 27.734 67.66  28.812 1   64.963  ? 500 A 1 .
ATOM 3478 C CG1  . GSH Ax1 GSH! .   ? 32.298 67.97  28.274 1   65.887  ? 500 A 1 .
ATOM 3479 S SG2  . GSH Ax1 GSH! .   ? 26.915 66.725 30.127 1   77.63   ? 500 A 1 .
ATOM 3480 C CD1  . GSH Ax1 GSH! .   ? 31.151 67.03  28.552 1   65.674  ? 500 A 1 .
ATOM 3481 O OE1  . GSH Ax1 GSH! .   ? 31.277 65.973 29.172 1   75.225  ? 500 A 1 .
ATOM 3482 C C1   . GSH Ax1 GSH! .   ? 34.349 69.564 30.08  1   49.396  ? 500 A 1 .
ATOM 3483 C C2   . GSH Ax1 GSH! .   ? 28.234 66.789 26.472 1   66.182  ? 500 A 1 .
ATOM 3484 C C3   . GSH Ax1 GSH! .   ? 29.217 66.189 23.069 1   80.572  ? 500 A 1 .
ATOM 3485 C CA1  . GSH Ax1 GSH! .   ? 34.028 68.086 30.064 1   56.652  ? 500 A 1 .
ATOM 3486 C CA2  . GSH Ax1 GSH! .   ? 28.716 66.879 27.945 1   65.151  ? 500 A 1 .
ATOM 3487 C CA3  . GSH Ax1 GSH! .   ? 28.703 67.213 24.102 1   78.226  ? 500 A 1 .
ATOM 3488 N N1   . GSH Ax1 GSH! .   ? 34.889 67.25  30.908 1   64.863  ? 500 A 1 .
ATOM 3489 N N2   . GSH Ax1 GSH! .   ? 30.007 67.515 28.07  1   62.263  ? 500 A 1 .
ATOM 3490 N N3   . GSH Ax1 GSH! .   ? 29.114 67.003 25.484 1   73.372  ? 500 A 1 .
ATOM 3491 O O11  . GSH Ax1 GSH! .   ? 33.548 70.32  29.522 1   48.366  ? 500 A 1 .
ATOM 3492 O O12  . GSH Ax1 GSH! .   ? 35.41  69.903 30.591 1   51.563  ? 500 A 1 .
ATOM 3493 O O2   . GSH Ax1 GSH! .   ? 27.078 66.474 26.232 1   63.238  ? 500 A 1 .
ATOM 3494 O O31  . GSH Ax1 GSH! .   ? 29.684 66.644 21.996 1   66.991  ? 500 A 1 .
ATOM 3495 O O32  . GSH Ax1 GSH! .   ? 29.08  64.964 23.314 1   85.017  ? 500 A 1 .
ATOM 3496 H HB12 . GSH Ax1 GSH! .   ? 33.697 66.549 28.766 1   62.62   ? 500 A 1 c
ATOM 3497 H HB13 . GSH Ax1 GSH! .   ? 34.333 67.822 28.066 1   62.557  ? 500 A 1 c
ATOM 3498 H HB22 . GSH Ax1 GSH! .   ? 27.046 68.041 28.229 1   67.17   ? 500 A 1 c
ATOM 3499 H HB23 . GSH Ax1 GSH! .   ? 28.219 68.403 29.224 1   67.007  ? 500 A 1 c
ATOM 3500 H HG12 . GSH Ax1 GSH! .   ? 32.33  68.13  27.314 1   65.209  ? 500 A 1 c
ATOM 3501 H HG13 . GSH Ax1 GSH! .   ? 32.093 68.826 28.699 1   64.899  ? 500 A 1 c
ATOM 3502 H HSG  . GSH Ax1 GSH! .   ? 26.363 67.024 30.644 0   55.8    ? 500 A 1 c
ATOM 3503 H HA1  . GSH Ax1 GSH! .   ? 33.171 68.05  30.55  1   58.02   ? 500 A 1 c
ATOM 3504 H HA2  . GSH Ax1 GSH! .   ? 28.788 65.965 28.301 1   64.836  ? 500 A 1 c
ATOM 3505 H HA31 . GSH Ax1 GSH! .   ? 29.008 68.098 23.823 1   77.447  ? 500 A 1 c
ATOM 3506 H HA32 . GSH Ax1 GSH! .   ? 27.727 67.216 24.062 1   77.364  ? 500 A 1 c
ATOM 3507 H HN11 . GSH Ax1 GSH! .   ? 34.526 66.419 30.998 1   62.2    ? 500 A 1 c
ATOM 3508 H HN12 . GSH Ax1 GSH! .   ? 34.977 67.625 31.733 1   62.136  ? 500 A 1 c
ATOM 3509 H H13  . GSH Ax1 GSH! .   ? 35.715 67.171 30.53  1   62.197  ? 500 A 1 c
ATOM 3510 H HN2  . GSH Ax1 GSH! .   ? 30.001 68.337 27.773 1   63.793  ? 500 A 1 c
ATOM 3511 H HN3  . GSH Ax1 GSH! .   ? 29.965 67.011 25.675 1   72.537  ? 500 A 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 55  LEU A 55  ? Axp 56  PRO A 56  ? . 0.00201597407
2 1 Axp 201 TRP A 201 ? Axp 202 PRO A 202 ? . -0.00237648524

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_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_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_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_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_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_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_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_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_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_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_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_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_TYR
_chem_comp.id                     TYR
_chem_comp.group                  peptide

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

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
TYR N   CA  single n 1.489 0.01   1.489 0.01
TYR CA  C   single n 1.531 0.0171 1.531 0.0171
TYR CA  CB  single n 1.532 0.01   1.532 0.01
TYR C   O   double n 1.251 0.0183 1.251 0.0183
TYR C   OXT single n 1.251 0.0183 1.251 0.0183
TYR CB  CG  single n 1.523 0.01   1.523 0.01
TYR CG  CD1 double y 1.39  0.0116 1.39  0.0116
TYR CG  CD2 single y 1.39  0.0116 1.39  0.0116
TYR CD1 CE1 single y 1.385 0.01   1.385 0.01
TYR CD2 CE2 double y 1.385 0.01   1.385 0.01
TYR CE1 CZ  double y 1.383 0.01   1.383 0.01
TYR CE2 CZ  single y 1.383 0.01   1.383 0.01
TYR CZ  OH  single n 1.365 0.0137 1.365 0.0137
TYR N   H   single n 0.902 0.0102 1.018 0.052
TYR N   H2  single n 0.902 0.0102 1.018 0.052
TYR N   H3  single n 0.902 0.0102 1.018 0.052
TYR CA  HA  single n 0.994 0.02   1.092 0.01
TYR CB  HB3 single n 0.983 0.0163 1.092 0.01
TYR CB  HB2 single n 0.983 0.0163 1.092 0.01
TYR CD1 HD1 single n 0.944 0.0143 1.085 0.015
TYR CD2 HD2 single n 0.944 0.0143 1.085 0.015
TYR CE1 HE1 single n 0.942 0.0174 1.085 0.015
TYR CE2 HE2 single n 0.942 0.0174 1.085 0.015
TYR OH  HH  single n 0.858 0.02   0.966 0.0059

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
TYR CA  N   H   109.791 3
TYR CA  N   H2  109.791 3
TYR CA  N   H3  109.791 3
TYR H   N   H2  109.032 3
TYR H   N   H3  109.032 3
TYR H2  N   H3  109.032 3
TYR N   CA  C   109.085 1.5
TYR N   CA  CB  109.965 3
TYR N   CA  HA  108.547 1.5
TYR C   CA  CB  111.98  3
TYR C   CA  HA  108.746 1.5
TYR CB  CA  HA  108.686 1.5
TYR CA  C   O   117.219 3
TYR CA  C   OXT 117.219 3
TYR O   C   OXT 125.562 1.5
TYR CA  CB  CG  114.693 2.05
TYR CA  CB  HB3 108.494 1.5
TYR CA  CB  HB2 108.494 1.5
TYR CG  CB  HB3 108.859 1.5
TYR CG  CB  HB2 108.859 1.5
TYR HB3 CB  HB2 107.843 2.16
TYR CB  CG  CD1 121.06  1.5
TYR CB  CG  CD2 121.06  1.5
TYR CD1 CG  CD2 117.879 1.5
TYR CG  CD1 CE1 121.468 1.5
TYR CG  CD1 HD1 119.327 1.5
TYR CE1 CD1 HD1 119.205 1.5
TYR CG  CD2 CE2 121.468 1.5
TYR CG  CD2 HD2 119.327 1.5
TYR CE2 CD2 HD2 119.205 1.5
TYR CD1 CE1 CZ  119.794 1.5
TYR CD1 CE1 HE1 120.177 1.5
TYR CZ  CE1 HE1 120.029 1.5
TYR CD2 CE2 CZ  119.794 1.5
TYR CD2 CE2 HE2 120.177 1.5
TYR CZ  CE2 HE2 120.029 1.5
TYR CE1 CZ  CE2 119.597 1.5
TYR CE1 CZ  OH  120.202 3
TYR CE2 CZ  OH  120.202 3
TYR CZ  OH  HH  109.97  3

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
TYR chi1      N   CA  CB  CG  -60 10 3
TYR chi2      CA  CB  CG  CD1 90  10 6
TYR CONST_1   CB  CG  CD1 CE1 0   0  1
TYR CONST_2   CG  CD1 CE1 CZ  0   0  1
TYR CONST_3   CZ  CE2 CD2 CG  0   0  1
TYR CONST_4   CD1 CE1 CZ  CE2 0   0  1
TYR CONST_5   CE1 CZ  CE2 CD2 0   0  1
TYR hh1       CE1 CZ  OH  HH  0   5  2
TYR sp3_sp3_1 C   CA  N   H   180 10 3
TYR const_21  CE2 CD2 CG  CD1 0   0  1
TYR sp2_sp3_1 O   C   CA  N   0   10 6

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

loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
TYR plan-1 CB  0.02
TYR plan-1 CD1 0.02
TYR plan-1 CD2 0.02
TYR plan-1 CE1 0.02
TYR plan-1 CE2 0.02
TYR plan-1 CG  0.02
TYR plan-1 CZ  0.02
TYR plan-1 HD1 0.02
TYR plan-1 HD2 0.02
TYR plan-1 HE1 0.02
TYR plan-1 HE2 0.02
TYR plan-1 OH  0.02
TYR plan-2 C   0.02
TYR plan-2 CA  0.02
TYR plan-2 O   0.02
TYR plan-2 OXT 0.02

data_HIS
_chem_comp.id                     HIS
_chem_comp.group                  peptide

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

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

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

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

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

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

data_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_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_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_CYS
_chem_comp.id                     CYS
_chem_comp.group                  peptide

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

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

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

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

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

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

data_GSH
_chem_comp.id                     GSH
_chem_comp.group                  non-polymer

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
GSH N1   N NT3  1
GSH CA1  C CH1  0
GSH C1   C C    0
GSH O11  O O    0
GSH O12  O OC   -1
GSH CB1  C CH2  0
GSH CG1  C CH2  0
GSH CD1  C C    0
GSH OE1  O O    0
GSH N2   N NH1  0
GSH CA2  C CH1  0
GSH C2   C C    0
GSH O2   O O    0
GSH CB2  C CH2  0
GSH SG2  S SH1  0
GSH N3   N NH1  0
GSH CA3  C CH2  0
GSH C3   C C    0
GSH O31  O O    0
GSH O32  O OC   -1
GSH HN11 H H    0
GSH HN12 H H    0
GSH H13  H H    0
GSH HA1  H H    0
GSH HB12 H H    0
GSH HB13 H H    0
GSH HG12 H H    0
GSH HG13 H H    0
GSH HN2  H H    0
GSH HA2  H H    0
GSH HB22 H H    0
GSH HB23 H H    0
GSH HSG  H HSH1 0
GSH HN3  H H    0
GSH HA31 H H    0
GSH HA32 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
GSH N1  CA1  single n 1.488 0.01   1.488 0.01
GSH CA1 C1   single n 1.533 0.01   1.533 0.01
GSH CA1 CB1  single n 1.53  0.0105 1.53  0.0105
GSH C1  O11  double n 1.247 0.0187 1.247 0.0187
GSH C1  O12  single n 1.247 0.0187 1.247 0.0187
GSH CB1 CG1  single n 1.522 0.0131 1.522 0.0131
GSH CG1 CD1  single n 1.514 0.01   1.514 0.01
GSH CD1 OE1  double n 1.229 0.0102 1.229 0.0102
GSH CD1 N2   single n 1.334 0.01   1.334 0.01
GSH N2  CA2  single n 1.452 0.01   1.452 0.01
GSH CA2 C2   single n 1.528 0.0129 1.528 0.0129
GSH CA2 CB2  single n 1.52  0.01   1.52  0.01
GSH C2  O2   double n 1.229 0.0102 1.229 0.0102
GSH C2  N3   single n 1.333 0.01   1.333 0.01
GSH CB2 SG2  single n 1.812 0.01   1.812 0.01
GSH N3  CA3  single n 1.445 0.01   1.445 0.01
GSH CA3 C3   single n 1.527 0.0103 1.527 0.0103
GSH C3  O31  double n 1.247 0.0187 1.247 0.0187
GSH C3  O32  single n 1.247 0.0187 1.247 0.0187
GSH N1  HN11 single n 0.911 0.02   1.036 0.016
GSH N1  HN12 single n 0.911 0.02   1.036 0.016
GSH N1  H13  single n 0.911 0.02   1.036 0.016
GSH CA1 HA1  single n 0.985 0.02   1.089 0.01
GSH CB1 HB12 single n 0.98  0.0178 1.089 0.01
GSH CB1 HB13 single n 0.98  0.0178 1.089 0.01
GSH CG1 HG12 single n 0.981 0.0185 1.089 0.01
GSH CG1 HG13 single n 0.981 0.0185 1.089 0.01
GSH N2  HN2  single n 0.873 0.02   1.016 0.01
GSH CA2 HA2  single n 0.983 0.01   1.089 0.01
GSH CB2 HB22 single n 0.979 0.0172 1.089 0.01
GSH CB2 HB23 single n 0.979 0.0172 1.089 0.01
GSH SG2 HSG  single n 1.203 0.02   1.338 0.01
GSH N3  HN3  single n 0.873 0.02   1.016 0.01
GSH CA3 HA31 single n 0.977 0.0124 1.089 0.01
GSH CA3 HA32 single n 0.977 0.0124 1.089 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
GSH CA1  N1  HN11 110.062 1.93
GSH CA1  N1  HN12 110.062 1.93
GSH CA1  N1  H13  110.062 1.93
GSH HN11 N1  HN12 109.028 2.41
GSH HN11 N1  H13  109.028 2.41
GSH HN12 N1  H13  109.028 2.41
GSH N1   CA1 C1   109.241 1.5
GSH N1   CA1 CB1  110.374 1.62
GSH N1   CA1 HA1  108.487 1.5
GSH C1   CA1 CB1  111.037 2.4
GSH C1   CA1 HA1  108.824 1.5
GSH CB1  CA1 HA1  108.967 1.5
GSH CA1  C1  O11  117.124 1.5
GSH CA1  C1  O12  117.124 1.5
GSH O11  C1  O12  125.752 1.5
GSH CA1  CB1 CG1  113.607 1.5
GSH CA1  CB1 HB12 108.549 1.5
GSH CA1  CB1 HB13 108.549 1.5
GSH CG1  CB1 HB12 109.107 1.5
GSH CG1  CB1 HB13 109.107 1.5
GSH HB12 CB1 HB13 107.844 1.5
GSH CB1  CG1 CD1  111.9   2.98
GSH CB1  CG1 HG12 109.204 1.5
GSH CB1  CG1 HG13 109.204 1.5
GSH CD1  CG1 HG12 108.93  1.5
GSH CD1  CG1 HG13 108.93  1.5
GSH HG12 CG1 HG13 107.846 1.5
GSH CG1  CD1 OE1  121.831 1.5
GSH CG1  CD1 N2   116.136 1.5
GSH OE1  CD1 N2   122.033 1.5
GSH CD1  N2  CA2  122.636 1.76
GSH CD1  N2  HN2  119.391 1.5
GSH CA2  N2  HN2  117.973 3
GSH N2   CA2 C2   114.061 1.5
GSH N2   CA2 CB2  111.529 1.5
GSH N2   CA2 HA2  107.419 1.5
GSH C2   CA2 CB2  109.498 1.55
GSH C2   CA2 HA2  107.555 1.5
GSH CB2  CA2 HA2  107.802 1.5
GSH CA2  C2  O2   119.561 1.5
GSH CA2  C2  N3   116.95  1.5
GSH O2   C2  N3   123.489 1.5
GSH CA2  CB2 SG2  114.532 1.5
GSH CA2  CB2 HB22 108.209 1.5
GSH CA2  CB2 HB23 108.209 1.5
GSH SG2  CB2 HB22 108.544 1.5
GSH SG2  CB2 HB23 108.544 1.5
GSH HB22 CB2 HB23 107.93  1.5
GSH CB2  SG2 HSG  97.249  3
GSH C2   N3  CA3  121.705 1.5
GSH C2   N3  HN3  118.99  1.52
GSH CA3  N3  HN3  119.305 1.57
GSH N3   CA3 C3   112.537 1.5
GSH N3   CA3 HA31 109.066 1.5
GSH N3   CA3 HA32 109.066 1.5
GSH C3   CA3 HA31 108.59  1.5
GSH C3   CA3 HA32 108.59  1.5
GSH HA31 CA3 HA32 107.999 1.5
GSH CA3  C3  O31  117.139 1.8
GSH CA3  C3  O32  117.139 1.8
GSH O31  C3  O32  125.722 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
GSH sp3_sp3_1  C1  CA1 N1  HN11 180 10 3
GSH sp2_sp3_19 O2  C2  CA2 N2   0   10 6
GSH sp3_sp3_28 N2  CA2 CB2 SG2  180 10 3
GSH sp2_sp2_5  CA2 C2  N3  CA3  180 5  2
GSH sp3_sp3_37 CA2 CB2 SG2 HSG  180 10 3
GSH sp2_sp3_26 C2  N3  CA3 C3   120 10 6
GSH sp2_sp3_32 O31 C3  CA3 N3   120 10 6
GSH sp2_sp3_1  O11 C1  CA1 N1   0   10 6
GSH sp3_sp3_10 N1  CA1 CB1 CG1  180 10 3
GSH sp3_sp3_19 CA1 CB1 CG1 CD1  180 10 3
GSH sp2_sp3_8  OE1 CD1 CG1 CB1  120 10 6
GSH sp2_sp2_1  CG1 CD1 N2  CA2  180 5  2
GSH sp2_sp3_13 CD1 N2  CA2 C2   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
GSH chir_1 CA1 N1 C1  CB1 positive
GSH chir_2 CA2 N2 CB2 C2  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
GSH plan-1 C1  0.02
GSH plan-1 CA1 0.02
GSH plan-1 O11 0.02
GSH plan-1 O12 0.02
GSH plan-2 CD1 0.02
GSH plan-2 CG1 0.02
GSH plan-2 N2  0.02
GSH plan-2 OE1 0.02
GSH plan-3 CA2 0.02
GSH plan-3 CD1 0.02
GSH plan-3 HN2 0.02
GSH plan-3 N2  0.02
GSH plan-4 C2  0.02
GSH plan-4 CA2 0.02
GSH plan-4 N3  0.02
GSH plan-4 O2  0.02
GSH plan-5 C2  0.02
GSH plan-5 CA3 0.02
GSH plan-5 HN3 0.02
GSH plan-5 N3  0.02
GSH plan-6 C3  0.02
GSH plan-6 CA3 0.02
GSH plan-6 O31 0.02
GSH plan-6 O32 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
