data_2ogu
_entry.id                         2ogu

_cell.entry_id                    2ogu
_cell.length_a                    165.889
_cell.length_b                    165.889
_cell.length_c                    82.223
_cell.angle_alpha                 90
_cell.angle_beta                  90
_cell.angle_gamma                 120

_symmetry.entry_id                2ogu
_symmetry.space_group_name_H-M    "H 3 2"
_symmetry.Int_Tables_number       155

loop_
_entity.id
_entity.type
A polymer

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
A 1   ARG ?
A 2   HIS ?
A 3   VAL ?
A 4   VAL ?
A 5   ILE ?
A 6   CYS ?
A 7   GLY ?
A 8   TRP ?
A 9   SER ?
A 10  GLU ?
A 11  SER ?
A 12  THR ?
A 13  LEU ?
A 14  GLU ?
A 15  CYS ?
A 16  LEU ?
A 17  ARG ?
A 18  GLU ?
A 19  LEU ?
A 20  ARG ?
A 21  GLY ?
A 22  SER ?
A 23  GLU ?
A 24  VAL ?
A 25  PHE ?
A 26  VAL ?
A 27  LEU ?
A 28  ALA ?
A 29  GLU ?
A 30  ASP ?
A 31  GLU ?
A 32  ASN ?
A 33  VAL ?
A 34  ARG ?
A 35  LYS ?
A 36  LYS ?
A 37  VAL ?
A 38  LEU ?
A 39  ARG ?
A 40  SER ?
A 41  GLY ?
A 42  ALA ?
A 43  ASN ?
A 44  PHE ?
A 45  VAL ?
A 46  HIS ?
A 47  GLY ?
A 48  ASP ?
A 49  PRO ?
A 50  THR ?
A 51  ARG ?
A 52  VAL ?
A 53  SER ?
A 54  ASP ?
A 55  LEU ?
A 56  GLU ?
A 57  LYS ?
A 58  ALA ?
A 59  ASN ?
A 60  VAL ?
A 61  ARG ?
A 62  GLY ?
A 63  ALA ?
A 64  ARG ?
A 65  ALA ?
A 66  VAL ?
A 67  ILE ?
A 68  VAL ?
A 69  ASP ?
A 70  LEU ?
A 71  GLU ?
A 72  SER ?
A 73  ASP ?
A 74  SER ?
A 75  GLU ?
A 76  THR ?
A 77  ILE ?
A 78  HIS ?
A 79  CYS ?
A 80  ILE ?
A 81  LEU ?
A 82  GLY ?
A 83  ILE ?
A 84  ARG ?
A 85  LYS ?
A 86  ILE ?
A 87  ASP ?
A 88  GLU ?
A 89  SER ?
A 90  VAL ?
A 91  ARG ?
A 92  ILE ?
A 93  ILE ?
A 94  ALA ?
A 95  GLU ?
A 96  ALA ?
A 97  GLU ?
A 98  ARG ?
A 99  TYR ?
A 100 GLU ?
A 101 ASN ?
A 102 ILE ?
A 103 GLU ?
A 104 GLN ?
A 105 LEU ?
A 106 ARG ?
A 107 MET ?
A 108 ALA ?
A 109 GLY ?
A 110 ALA ?
A 111 ASP ?
A 112 GLN ?
A 113 VAL ?
A 114 ILE ?
A 115 SER ?
A 116 PRO ?
A 117 PHE ?
A 118 VAL ?
A 119 ILE ?
A 120 SER ?
A 121 GLY ?
A 122 ARG ?
A 123 LEU ?
A 124 MET ?
A 125 SER ?
A 126 ARG ?
A 127 SER ?
A 128 ILE ?
A 129 ASP ?
A 130 ASP ?
A 131 GLY ?
A 132 TYR ?
A 133 GLU ?
A 134 ALA ?
A 135 MET ?
A 136 PHE ?
A 137 VAL ?
A 138 GLN ?
A 139 ASP ?
A 140 VAL ?
A 141 LEU ?
A 142 ALA ?
A 143 GLU ?
A 144 GLU ?
A 145 SER ?
A 146 THR ?
A 147 ARG ?
A 148 ARG ?
A 149 MET ?
A 150 VAL ?
A 151 GLU ?
A 152 VAL ?
A 153 PRO ?
A 154 ILE ?
A 155 PRO ?
A 156 GLU ?
A 157 GLY ?
A 158 SER ?
A 159 LYS ?
A 160 LEU ?
A 161 GLU ?
A 162 GLY ?
A 163 VAL ?
A 164 SER ?
A 165 VAL ?
A 166 LEU ?
A 167 ASP ?
A 168 ALA ?
A 169 ASP ?
A 170 ILE ?
A 171 HIS ?
A 172 ASP ?
A 173 VAL ?
A 174 THR ?
A 175 GLY ?
A 176 VAL ?
A 177 ILE ?
A 178 ILE ?
A 179 ILE ?
A 180 GLY ?
A 181 VAL ?
A 182 GLY ?
A 183 ARG ?
A 184 GLY ?
A 185 ASP ?
A 186 GLU ?
A 187 LEU ?
A 188 ILE ?
A 189 ILE ?
A 190 ASP ?
A 191 PRO ?
A 192 PRO ?
A 193 ARG ?
A 194 ASP ?
A 195 TYR ?
A 196 SER ?
A 197 PHE ?
A 198 ARG ?
A 199 ALA ?
A 200 GLY ?
A 201 ASP ?
A 202 ILE ?
A 203 ILE ?
A 204 LEU ?
A 205 GLY ?
A 206 ILE ?
A 207 GLY ?
A 208 LYS ?
A 209 PRO ?
A 210 GLU ?
A 211 GLU ?
A 212 ILE ?
A 213 GLU ?
A 214 ARG ?
A 215 LEU ?
A 216 LYS ?
A 217 ASN ?
A 218 TYR ?
A 219 ILE ?
A 220 SER ?
A 221 ALA ?

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                120.327
_refine.aniso_B[1][1]             -4.236
_refine.aniso_B[2][2]             -4.236
_refine.aniso_B[3][3]             13.741
_refine.aniso_B[1][2]             -2.118
_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             3.231
_refine.ls_d_res_low              28.628
_refine.ls_number_reflns_R_work   6398
_refine.ls_number_reflns_R_free   319
_refine.ls_number_reflns_obs      6717
_refine.ls_R_factor_R_work        0.2309
_refine.ls_R_factor_R_free        0.2992
_refine.ls_R_factor_all           0.234
_refine.ls_wR_factor_R_work       0.260
_refine.ls_wR_factor_R_free       0.327
_refine.ls_percent_reflns_obs     95.061
_refine.ls_percent_reflns_R_free  4.749
_refine.correlation_coeff_Fo_to_Fc 0.949
_refine.correlation_coeff_Fo_to_Fc_free 0.905
_refine.pdbx_overall_ESU_R        ?
_refine.pdbx_overall_ESU_R_Free   0.517
_refine.overall_SU_ML             0.462
_refine.overall_SU_B              29.315
_refine.pdbx_average_fsc_overall  ?
_refine.pdbx_average_fsc_work     0.9458
_refine.pdbx_average_fsc_free     0.9181
_refine.entry_id                  2ogu
_refine.pdbx_refine_id            "X-RAY DIFFRACTION"

loop_
_refine_ls_shell.pdbx_total_number_of_bins_used
_refine_ls_shell.d_res_low
_refine_ls_shell.d_res_high
_refine_ls_shell.number_reflns_all
_refine_ls_shell.percent_reflns_obs
_refine_ls_shell.number_reflns_R_work
_refine_ls_shell.R_factor_R_work
_refine_ls_shell.R_factor_all
_refine_ls_shell.number_reflns_R_free
_refine_ls_shell.R_factor_R_free
_refine_ls_shell.wR_factor_R_work
_refine_ls_shell.pdbx_fsc_work
_refine_ls_shell.pdbx_fsc_free
_refine_ls_shell.pdbx_refine_id
20 28.628 12.964 115 81.7391 87  0.263 0.274 7  0.433 0.387 0.950 0.944 "X-RAY DIFFRACTION"
20 12.964 9.677  163 89.5705 142 0.142 0.143 4  0.203 0.181 0.988 0.991 "X-RAY DIFFRACTION"
20 9.677  8.056  195 92.8205 175 0.125 0.127 6  0.201 0.170 0.991 0.975 "X-RAY DIFFRACTION"
20 8.056  7.047  236 93.2203 211 0.171 0.171 9  0.184 0.204 0.979 0.986 "X-RAY DIFFRACTION"
20 7.047  6.341  254 94.8819 230 0.194 0.197 11 0.244 0.233 0.976 0.958 "X-RAY DIFFRACTION"
20 6.341  5.813  284 94.3662 253 0.223 0.228 15 0.306 0.251 0.966 0.940 "X-RAY DIFFRACTION"
20 5.813  5.397  307 94.1368 278 0.270 0.271 11 0.301 0.297 0.956 0.952 "X-RAY DIFFRACTION"
20 5.397  5.060  328 95.4268 304 0.217 0.216 9  0.192 0.244 0.974 0.983 "X-RAY DIFFRACTION"
20 5.060  4.779  339 94.9853 306 0.215 0.219 16 0.275 0.240 0.975 0.953 "X-RAY DIFFRACTION"
20 4.779  4.540  359 95.5432 328 0.225 0.227 15 0.292 0.249 0.971 0.958 "X-RAY DIFFRACTION"
20 4.540  4.334  382 96.3351 351 0.218 0.220 17 0.245 0.239 0.971 0.968 "X-RAY DIFFRACTION"
20 4.334  4.153  403 95.2854 360 0.219 0.226 24 0.324 0.228 0.970 0.946 "X-RAY DIFFRACTION"
20 4.153  3.994  406 95.3202 363 0.253 0.252 24 0.236 0.250 0.959 0.975 "X-RAY DIFFRACTION"
20 3.994  3.851  434 96.5438 404 0.277 0.278 15 0.299 0.270 0.958 0.941 "X-RAY DIFFRACTION"
20 3.851  3.723  437 97.2540 407 0.267 0.269 18 0.323 0.264 0.959 0.960 "X-RAY DIFFRACTION"
20 3.723  3.606  466 95.9227 432 0.288 0.291 15 0.368 0.275 0.950 0.900 "X-RAY DIFFRACTION"
20 3.606  3.500  464 96.1207 427 0.351 0.350 19 0.338 0.324 0.919 0.898 "X-RAY DIFFRACTION"
20 3.500  3.403  488 97.3361 444 0.355 0.362 31 0.472 0.323 0.908 0.869 "X-RAY DIFFRACTION"
20 3.403  3.314  486 96.7078 439 0.387 0.393 31 0.493 0.360 0.882 0.776 "X-RAY DIFFRACTION"
20 3.314  3.231  507 94.4773 457 0.479 0.481 22 0.526 0.458 0.857 0.840 "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               1735 0.007  0.012   "X-RAY DIFFRACTION"
r_bond_other_d                 1689 0.002  0.016   "X-RAY DIFFRACTION"
r_angle_refined_deg            2343 1.741  1.824   "X-RAY DIFFRACTION"
r_angle_other_deg              3885 0.619  1.771   "X-RAY DIFFRACTION"
r_dihedral_angle_1_deg         220  7.692  5.000   "X-RAY DIFFRACTION"
r_dihedral_angle_2_deg         19   5.251  5.000   "X-RAY DIFFRACTION"
r_dihedral_angle_3_deg         316  22.580 10.000  "X-RAY DIFFRACTION"
r_dihedral_angle_6_deg         82   15.534 10.000  "X-RAY DIFFRACTION"
r_chiral_restr                 271  0.085  0.200   "X-RAY DIFFRACTION"
r_gen_planes_refined           2079 0.006  0.020   "X-RAY DIFFRACTION"
r_gen_planes_other             379  0.002  0.020   "X-RAY DIFFRACTION"
r_nbd_refined                  451  0.266  0.200   "X-RAY DIFFRACTION"
r_symmetry_nbd_other           1817 0.231  0.200   "X-RAY DIFFRACTION"
r_nbtor_refined                841  0.186  0.200   "X-RAY DIFFRACTION"
r_symmetry_nbtor_other         1075 0.094  0.200   "X-RAY DIFFRACTION"
r_xyhbond_nbd_refined          61   0.152  0.200   "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_other   3    0.094  0.200   "X-RAY DIFFRACTION"
r_symmetry_nbd_refined         60   0.344  0.200   "X-RAY DIFFRACTION"
r_nbd_other                    153  0.251  0.200   "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_refined 4    0.269  0.200   "X-RAY DIFFRACTION"
r_mcbond_it                    883  13.735 11.503  "X-RAY DIFFRACTION"
r_mcbond_other                 883  13.659 11.505  "X-RAY DIFFRACTION"
r_mcangle_it                   1102 19.953 20.564  "X-RAY DIFFRACTION"
r_mcangle_other                1103 19.944 20.568  "X-RAY DIFFRACTION"
r_scbond_it                    852  13.156 12.635  "X-RAY DIFFRACTION"
r_scbond_other                 853  13.149 12.639  "X-RAY DIFFRACTION"
r_scangle_it                   1241 19.921 22.784  "X-RAY DIFFRACTION"
r_scangle_other                1242 19.913 22.785  "X-RAY DIFFRACTION"
r_lrange_it                    7003 26.609 139.629 "X-RAY DIFFRACTION"
r_lrange_other                 7004 26.607 139.629 "X-RAY DIFFRACTION"

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

loop_
_atom_type.symbol
_atom_type.pdbx_scat_Z
_atom_type.pdbx_N_electrons
_atom_type.scat_Cromer_Mann_a1
_atom_type.scat_Cromer_Mann_b1
_atom_type.scat_Cromer_Mann_a2
_atom_type.scat_Cromer_Mann_b2
_atom_type.scat_Cromer_Mann_a3
_atom_type.scat_Cromer_Mann_b3
_atom_type.scat_Cromer_Mann_a4
_atom_type.scat_Cromer_Mann_b4
_atom_type.scat_Cromer_Mann_c
N 7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379
C 6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156
O 8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508
H 1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030
S 16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 -0.0605

_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    . ARG Axp A 1   ? 81.204  112.709 18.401 1 180.564 ? 116 A 1 .
ATOM 2    C CA   . ARG Axp A 1   ? 82.659  112.963 18.592 1 187.157 ? 116 A 1 .
ATOM 3    C C    . ARG Axp A 1   ? 82.898  114.472 18.479 1 167.709 ? 116 A 1 .
ATOM 4    O O    . ARG Axp A 1   ? 83.577  114.93  17.557 1 154.491 ? 116 A 1 .
ATOM 5    C CB   . ARG Axp A 1   ? 83.567  112.203 17.608 1 196.086 ? 116 A 1 .
ATOM 6    C CG   . ARG Axp A 1   ? 83.039  110.997 16.846 1 197.559 ? 116 A 1 .
ATOM 7    C CD   . ARG Axp A 1   ? 82.565  111.375 15.446 1 206.132 ? 116 A 1 .
ATOM 8    N NE   . ARG Axp A 1   ? 81.817  112.636 15.363 1 212.766 ? 116 A 1 .
ATOM 9    C CZ   . ARG Axp A 1   ? 81.116  113.054 14.315 1 210.917 ? 116 A 1 .
ATOM 10   N NH1  . ARG Axp A 1   ? 81.094  112.344 13.199 1 209.928 ? 116 A 1 .
ATOM 11   N NH2  . ARG Axp A 1   ? 80.443  114.189 14.394 1 206.059 ? 116 A 1 .
ATOM 12   H H    . ARG Axp A 1   ? 81.046  111.872 18.106 1 182.888 ? 116 A 1 c
ATOM 13   H H2   . ARG Axp A 1   ? 80.849  113.298 17.818 1 182.87  ? 116 A 1 c
ATOM 14   H H3   . ARG Axp A 1   ? 80.783  112.81  19.192 1 182.516 ? 116 A 1 c
ATOM 15   H HA   . ARG Axp A 1   ? 82.899  112.678 19.508 1 183.506 ? 116 A 1 c
ATOM 16   H HB3  . ARG Axp A 1   ? 84.34   111.898 18.121 1 194.445 ? 116 A 1 c
ATOM 17   H HB2  . ARG Axp A 1   ? 83.905  112.845 16.949 1 194.142 ? 116 A 1 c
ATOM 18   H HG3  . ARG Axp A 1   ? 82.296  110.589 17.34  1 198.875 ? 116 A 1 c
ATOM 19   H HG2  . ARG Axp A 1   ? 83.752  110.326 16.77  1 199.086 ? 116 A 1 c
ATOM 20   H HD3  . ARG Axp A 1   ? 82      110.65  15.108 1 205.713 ? 116 A 1 c
ATOM 21   H HD2  . ARG Axp A 1   ? 83.347  111.432 14.861 1 205.698 ? 116 A 1 c
ATOM 22   H HE   . ARG Axp A 1   ? 81.845  113.174 16.04  1 209.848 ? 116 A 1 c
ATOM 23   H HH11 . ARG Axp A 1   ? 81.844  112.205 12.752 1 210.232 ? 116 A 1 c
ATOM 24   H HH12 . ARG Axp A 1   ? 80.33   112.011 12.905 1 210.232 ? 116 A 1 c
ATOM 25   H HH21 . ARG Axp A 1   ? 79.981  114.375 15.124 1 207.542 ? 116 A 1 c
ATOM 26   H HH22 . ARG Axp A 1   ? 80.457  114.756 13.716 1 207.542 ? 116 A 1 c
ATOM 27   N N    . HIS Axp A 2   ? 82.313  115.247 19.408 1 153.529 ? 117 A 1 .
ATOM 28   C CA   . HIS Axp A 2   ? 82.638  116.662 19.525 1 151.578 ? 117 A 1 .
ATOM 29   C C    . HIS Axp A 2   ? 82.624  117.122 20.984 1 157.836 ? 117 A 1 .
ATOM 30   O O    . HIS Axp A 2   ? 81.789  116.688 21.775 1 175.605 ? 117 A 1 .
ATOM 31   C CB   . HIS Axp A 2   ? 81.7    117.512 18.665 1 143.501 ? 117 A 1 .
ATOM 32   C CG   . HIS Axp A 2   ? 80.324  117.664 19.221 1 155.087 ? 117 A 1 .
ATOM 33   N ND1  . HIS Axp A 2   ? 79.278  116.82  18.913 1 181.651 ? 117 A 1 .
ATOM 34   C CD2  . HIS Axp A 2   ? 79.817  118.587 20.048 1 150.577 ? 117 A 1 .
ATOM 35   C CE1  . HIS Axp A 2   ? 78.181  117.233 19.539 1 164.702 ? 117 A 1 .
ATOM 36   N NE2  . HIS Axp A 2   ? 78.487  118.302 20.236 1 156.501 ? 117 A 1 .
ATOM 37   H H    . HIS Axp A 2   ? 81.673  114.892 19.954 1 156.894 ? 117 A 1 c
ATOM 38   H HA   . HIS Axp A 2   ? 83.557  116.784 19.179 1 151.627 ? 117 A 1 c
ATOM 39   H HB3  . HIS Axp A 2   ? 81.638  117.105 17.773 1 147.936 ? 117 A 1 c
ATOM 40   H HB2  . HIS Axp A 2   ? 82.098  118.403 18.555 1 147.936 ? 117 A 1 c
ATOM 41   H HD1  . HIS Axp A 2   ? 79.329  116.035 18.363 0 153.63  ? 117 A 1 c
ATOM 42   H HD2  . HIS Axp A 2   ? 80.28   119.305 20.432 1 153.096 ? 117 A 1 c
ATOM 43   H HE1  . HIS Axp A 2   ? 77.335  116.819 19.5   1 166.029 ? 117 A 1 c
ATOM 44   H HE2  . HIS Axp A 2   ? 77.934  118.71  20.685 0 153.79  ? 117 A 1 c
ATOM 45   N N    . VAL Axp A 3   ? 83.536  118.047 21.312 1 149.128 ? 118 A 1 .
ATOM 46   C CA   . VAL Axp A 3   ? 83.788  118.435 22.69  1 138.453 ? 118 A 1 .
ATOM 47   C C    . VAL Axp A 3   ? 83.321  119.868 22.913 1 127.759 ? 118 A 1 .
ATOM 48   O O    . VAL Axp A 3   ? 83.492  120.718 22.045 1 130.083 ? 118 A 1 .
ATOM 49   C CB   . VAL Axp A 3   ? 85.285  118.304 23.015 1 147.165 ? 118 A 1 .
ATOM 50   C CG1  . VAL Axp A 3   ? 85.585  118.749 24.439 1 143.027 ? 118 A 1 .
ATOM 51   C CG2  . VAL Axp A 3   ? 85.804  116.893 22.761 1 169.714 ? 118 A 1 .
ATOM 52   H H    . VAL Axp A 3   ? 84.016  118.453 20.649 1 148.687 ? 118 A 1 c
ATOM 53   H HA   . VAL Axp A 3   ? 83.286  117.843 23.282 1 139.807 ? 118 A 1 c
ATOM 54   H HB   . VAL Axp A 3   ? 85.766  118.913 22.406 1 148.639 ? 118 A 1 c
ATOM 55   H HG11 . VAL Axp A 3   ? 84.833  118.528 25.014 1 144.17  ? 118 A 1 c
ATOM 56   H HG12 . VAL Axp A 3   ? 85.732  119.709 24.456 1 144.195 ? 118 A 1 c
ATOM 57   H HG13 . VAL Axp A 3   ? 86.381  118.295 24.762 1 144.482 ? 118 A 1 c
ATOM 58   H HG21 . VAL Axp A 3   ? 86.731  116.83  23.047 1 162.576 ? 118 A 1 c
ATOM 59   H HG22 . VAL Axp A 3   ? 85.746  116.69  21.812 1 162.625 ? 118 A 1 c
ATOM 60   H HG23 . VAL Axp A 3   ? 85.268  116.254 23.261 1 162.684 ? 118 A 1 c
ATOM 61   N N    . VAL Axp A 4   ? 82.768  120.143 24.098 1 114.38  ? 119 A 1 .
ATOM 62   C CA   . VAL Axp A 4   ? 82.35   121.5   24.399 1 122.804 ? 119 A 1 .
ATOM 63   C C    . VAL Axp A 4   ? 82.808  121.931 25.791 1 119.748 ? 119 A 1 .
ATOM 64   O O    . VAL Axp A 4   ? 82.411  121.38  26.818 1 103.024 ? 119 A 1 .
ATOM 65   C CB   . VAL Axp A 4   ? 80.833  121.668 24.24  1 141.541 ? 119 A 1 .
ATOM 66   C CG1  . VAL Axp A 4   ? 80.354  122.995 24.826 1 154.224 ? 119 A 1 .
ATOM 67   C CG2  . VAL Axp A 4   ? 80.408  121.506 22.787 1 137.233 ? 119 A 1 .
ATOM 68   H H    . VAL Axp A 4   ? 82.65   119.486 24.722 1 119.606 ? 119 A 1 c
ATOM 69   H HA   . VAL Axp A 4   ? 82.778  122.09  23.752 1 123.699 ? 119 A 1 c
ATOM 70   H HB   . VAL Axp A 4   ? 80.408  120.944 24.752 1 138.566 ? 119 A 1 c
ATOM 71   H HG11 . VAL Axp A 4   ? 80.964  123.705 24.565 1 149.879 ? 119 A 1 c
ATOM 72   H HG12 . VAL Axp A 4   ? 80.325  122.933 25.795 1 150.056 ? 119 A 1 c
ATOM 73   H HG13 . VAL Axp A 4   ? 79.464  123.196 24.491 1 150.063 ? 119 A 1 c
ATOM 74   H HG21 . VAL Axp A 4   ? 79.762  122.194 22.556 1 138.538 ? 119 A 1 c
ATOM 75   H HG22 . VAL Axp A 4   ? 80.003  120.631 22.663 1 138.441 ? 119 A 1 c
ATOM 76   H HG23 . VAL Axp A 4   ? 81.182  121.586 22.208 1 138.188 ? 119 A 1 c
ATOM 77   N N    . ILE Axp A 5   ? 83.629  122.98  25.781 1 111.674 ? 120 A 1 .
ATOM 78   C CA   . ILE Axp A 5   ? 83.953  123.728 26.973 1 110.224 ? 120 A 1 .
ATOM 79   C C    . ILE Axp A 5   ? 82.892  124.796 27.112 1 114.69  ? 120 A 1 .
ATOM 80   O O    . ILE Axp A 5   ? 82.519  125.416 26.122 1 121.906 ? 120 A 1 .
ATOM 81   C CB   . ILE Axp A 5   ? 85.32   124.409 26.847 1 117.218 ? 120 A 1 .
ATOM 82   C CG1  . ILE Axp A 5   ? 86.369  123.472 26.288 1 134.196 ? 120 A 1 .
ATOM 83   C CG2  . ILE Axp A 5   ? 85.747  125.002 28.187 1 122.952 ? 120 A 1 .
ATOM 84   C CD1  . ILE Axp A 5   ? 87.742  124.108 26.186 1 157.694 ? 120 A 1 .
ATOM 85   H H    . ILE Axp A 5   ? 83.989  123.25  24.986 1 113.683 ? 120 A 1 c
ATOM 86   H HA   . ILE Axp A 5   ? 83.945  123.139 27.749 1 112.552 ? 120 A 1 c
ATOM 87   H HB   . ILE Axp A 5   ? 85.224  125.149 26.214 1 119.935 ? 120 A 1 c
ATOM 88   H HG12 . ILE Axp A 5   ? 86.094  123.177 25.396 1 134.706 ? 120 A 1 c
ATOM 89   H HG13 . ILE Axp A 5   ? 86.427  122.682 26.863 1 135.067 ? 120 A 1 c
ATOM 90   H HG21 . ILE Axp A 5   ? 86.434  125.674 28.042 1 121.369 ? 120 A 1 c
ATOM 91   H HG22 . ILE Axp A 5   ? 86.101  124.298 28.756 1 121.243 ? 120 A 1 c
ATOM 92   H HG23 . ILE Axp A 5   ? 84.984  125.415 28.623 1 121.139 ? 120 A 1 c
ATOM 93   H HD11 . ILE Axp A 5   ? 87.657  125.013 25.831 1 150.201 ? 120 A 1 c
ATOM 94   H HD12 . ILE Axp A 5   ? 88.304  123.578 25.589 1 150.201 ? 120 A 1 c
ATOM 95   H HD13 . ILE Axp A 5   ? 88.155  124.145 27.069 1 149.731 ? 120 A 1 c
ATOM 96   N N    . CYS Axp A 6   ? 82.464  125.06  28.341 1 115.227 ? 121 A 1 .
ATOM 97   C CA   . CYS Axp A 6   ? 81.647  126.236 28.55  1 116.762 ? 121 A 1 .
ATOM 98   C C    . CYS Axp A 6   ? 82.184  127.007 29.745 1 109.189 ? 121 A 1 .
ATOM 99   O O    . CYS Axp A 6   ? 82.04   126.573 30.886 1 99.093  ? 121 A 1 .
ATOM 100  C CB   . CYS Axp A 6   ? 80.146  125.931 28.534 1 138.827 ? 121 A 1 .
ATOM 101  S SG   . CYS Axp A 6   ? 79.506  124.698 29.701 1 100.955 ? 121 A 1 .
ATOM 102  H H    . CYS Axp A 6   ? 82.674  124.517 29.045 1 115.342 ? 121 A 1 c
ATOM 103  H HA   . CYS Axp A 6   ? 81.774  126.815 27.759 1 118.696 ? 121 A 1 c
ATOM 104  H HB3  . CYS Axp A 6   ? 79.906  125.633 27.628 1 125.349 ? 121 A 1 c
ATOM 105  H HB2  . CYS Axp A 6   ? 79.663  126.771 28.698 1 125.339 ? 121 A 1 c
ATOM 106  H HG   . CYS Axp A 6   ? 78.398  124.831 29.519 0 132.77  ? 121 A 1 c
ATOM 107  N N    . GLY Axp A 7   ? 82.784  128.163 29.43  1 112.805 ? 122 A 1 .
ATOM 108  C CA   . GLY Axp A 7   ? 83.349  129.071 30.415 1 109.107 ? 122 A 1 .
ATOM 109  C C    . GLY Axp A 7   ? 84.829  129.34  30.148 1 105.095 ? 122 A 1 .
ATOM 110  O O    . GLY Axp A 7   ? 85.583  128.431 29.831 1 130.326 ? 122 A 1 .
ATOM 111  H H    . GLY Axp A 7   ? 82.844  128.397 28.549 1 111.204 ? 122 A 1 c
ATOM 112  H HA3  . GLY Axp A 7   ? 83.245  128.682 31.311 1 108.808 ? 122 A 1 c
ATOM 113  H HA2  . GLY Axp A 7   ? 82.849  129.92  30.393 1 109.006 ? 122 A 1 c
ATOM 114  N N    . TRP Axp A 8   ? 85.254  130.591 30.322 1 108.245 ? 123 A 1 .
ATOM 115  C CA   . TRP Axp A 8   ? 86.64   130.969 30.093 1 111.064 ? 123 A 1 .
ATOM 116  C C    . TRP Axp A 8   ? 87.445  131     31.4   1 110.302 ? 123 A 1 .
ATOM 117  O O    . TRP Axp A 8   ? 86.911  131.2   32.5   1 78.659  ? 123 A 1 .
ATOM 118  C CB   . TRP Axp A 8   ? 86.703  132.319 29.366 1 122.541 ? 123 A 1 .
ATOM 119  C CG   . TRP Axp A 8   ? 88.099  132.701 28.967 1 114.74  ? 123 A 1 .
ATOM 120  C CD1  . TRP Axp A 8   ? 88.938  133.563 29.608 1 116.071 ? 123 A 1 .
ATOM 121  C CD2  . TRP Axp A 8   ? 88.843  132.159 27.859 1 98.725  ? 123 A 1 .
ATOM 122  N NE1  . TRP Axp A 8   ? 90.145  133.606 28.962 1 123.933 ? 123 A 1 .
ATOM 123  C CE2  . TRP Axp A 8   ? 90.121  132.755 27.888 1 106.512 ? 123 A 1 .
ATOM 124  C CE3  . TRP Axp A 8   ? 88.553  131.242 26.849 1 90.605  ? 123 A 1 .
ATOM 125  C CZ2  . TRP Axp A 8   ? 91.107  132.459 26.949 1 101.255 ? 123 A 1 .
ATOM 126  C CZ3  . TRP Axp A 8   ? 89.524  130.954 25.914 1 95.182  ? 123 A 1 .
ATOM 127  C CH2  . TRP Axp A 8   ? 90.787  131.546 25.971 1 100.982 ? 123 A 1 .
ATOM 128  H H    . TRP Axp A 8   ? 84.663  131.232 30.595 1 108.125 ? 123 A 1 c
ATOM 129  H HA   . TRP Axp A 8   ? 87.049  130.287 29.496 1 112.519 ? 123 A 1 c
ATOM 130  H HB3  . TRP Axp A 8   ? 86.339  133.012 29.958 1 118.044 ? 123 A 1 c
ATOM 131  H HB2  . TRP Axp A 8   ? 86.142  132.27  28.563 1 118.044 ? 123 A 1 c
ATOM 132  H HD1  . TRP Axp A 8   ? 88.727  134.063 30.38  1 117.298 ? 123 A 1 c
ATOM 133  H HE1  . TRP Axp A 8   ? 90.824  134.1   29.199 1 117.512 ? 123 A 1 c
ATOM 134  H HE3  . TRP Axp A 8   ? 87.706  130.833 26.804 1 93.786  ? 123 A 1 c
ATOM 135  H HZ2  . TRP Axp A 8   ? 91.957  132.865 26.986 1 102.367 ? 123 A 1 c
ATOM 136  H HZ3  . TRP Axp A 8   ? 89.339  130.329 25.233 1 95.917  ? 123 A 1 c
ATOM 137  H HH2  . TRP Axp A 8   ? 91.429  131.327 25.319 1 99.706  ? 123 A 1 c
ATOM 138  N N    . SER Axp A 9   ? 88.765  130.841 31.218 1 122.045 ? 124 A 1 .
ATOM 139  C CA   . SER Axp A 9   ? 89.741  130.543 32.255 1 113.513 ? 124 A 1 .
ATOM 140  C C    . SER Axp A 9   ? 91.118  130.802 31.667 1 107.611 ? 124 A 1 .
ATOM 141  O O    . SER Axp A 9   ? 91.297  130.576 30.467 1 117.014 ? 124 A 1 .
ATOM 142  C CB   . SER Axp A 9   ? 89.632  129.096 32.636 1 129.273 ? 124 A 1 .
ATOM 143  O OG   . SER Axp A 9   ? 89.757  128.885 34.035 1 123.796 ? 124 A 1 .
ATOM 144  H H    . SER Axp A 9   ? 89.077  130.901 30.361 1 116.909 ? 124 A 1 c
ATOM 145  H HA   . SER Axp A 9   ? 89.589  131.123 33.044 1 116.764 ? 124 A 1 c
ATOM 146  H HB3  . SER Axp A 9   ? 90.323  128.588 32.171 1 123.915 ? 124 A 1 c
ATOM 147  H HB2  . SER Axp A 9   ? 88.768  128.758 32.339 1 123.915 ? 124 A 1 c
ATOM 148  H HG   . SER Axp A 9   ? 89.731  127.931 34.031 0 128.23  ? 124 A 1 c
ATOM 149  N N    . GLU Axp A 10  ? 92.087  131.24  32.481 1 108.733 ? 125 A 1 .
ATOM 150  C CA   . GLU Axp A 10  ? 93.46   131.364 31.982 1 122.653 ? 125 A 1 .
ATOM 151  C C    . GLU Axp A 10  ? 94.032  130.018 31.532 1 102.616 ? 125 A 1 .
ATOM 152  O O    . GLU Axp A 10  ? 95.095  129.996 30.916 1 93.941  ? 125 A 1 .
ATOM 153  C CB   . GLU Axp A 10  ? 94.505  131.985 32.911 1 120.468 ? 125 A 1 .
ATOM 154  C CG   . GLU Axp A 10  ? 94.759  133.462 32.626 1 129.58  ? 125 A 1 .
ATOM 155  C CD   . GLU Axp A 10  ? 93.772  134.401 33.309 1 153.278 ? 125 A 1 .
ATOM 156  O OE1  . GLU Axp A 10  ? 93.486  134.178 34.517 1 149.839 ? 125 A 1 .
ATOM 157  O OE2  . GLU Axp A 10  ? 93.299  135.358 32.645 1 146.222 ? 125 A 1 .
ATOM 158  H H    . GLU Axp A 10  ? 91.887  131.529 33.323 1 111.577 ? 125 A 1 c
ATOM 159  H HA   . GLU Axp A 10  ? 93.423  131.943 31.18  1 115.71  ? 125 A 1 c
ATOM 160  H HB3  . GLU Axp A 10  ? 95.351  131.5   32.817 1 122.678 ? 125 A 1 c
ATOM 161  H HB2  . GLU Axp A 10  ? 94.205  131.878 33.837 1 123.125 ? 125 A 1 c
ATOM 162  H HG3  . GLU Axp A 10  ? 94.718  133.616 31.658 1 132.343 ? 125 A 1 c
ATOM 163  H HG2  . GLU Axp A 10  ? 95.664  133.693 32.923 1 132.432 ? 125 A 1 c
ATOM 164  N N    . SER Axp A 11  ? 93.312  128.927 31.821 1 102.527 ? 126 A 1 .
ATOM 165  C CA   . SER Axp A 11  ? 93.718  127.579 31.465 1 120.097 ? 126 A 1 .
ATOM 166  C C    . SER Axp A 11  ? 92.715  127.028 30.468 1 112.885 ? 126 A 1 .
ATOM 167  O O    . SER Axp A 11  ? 92.476  125.82  30.434 1 113.727 ? 126 A 1 .
ATOM 168  C CB   . SER Axp A 11  ? 93.81   126.643 32.661 1 122.316 ? 126 A 1 .
ATOM 169  O OG   . SER Axp A 11  ? 92.553  126.493 33.316 1 99.948  ? 126 A 1 .
ATOM 170  H H    . SER Axp A 11  ? 92.504  129.029 32.228 1 106.586 ? 126 A 1 c
ATOM 171  H HA   . SER Axp A 11  ? 94.605  127.62  31.026 1 115.303 ? 126 A 1 c
ATOM 172  H HB3  . SER Axp A 11  ? 94.474  126.979 33.283 1 116.07  ? 126 A 1 c
ATOM 173  H HB2  . SER Axp A 11  ? 94.115  125.768 32.355 1 116.062 ? 126 A 1 c
ATOM 174  H HG   . SER Axp A 11  ? 92.638  125.769 33.914 0 126.29  ? 126 A 1 c
ATOM 175  N N    . THR Axp A 12  ? 92.082  127.935 29.721 1 96.46   ? 127 A 1 .
ATOM 176  C CA   . THR Axp A 12  ? 91.342  127.486 28.558 1 113.102 ? 127 A 1 .
ATOM 177  C C    . THR Axp A 12  ? 92.314  127.546 27.394 1 110.923 ? 127 A 1 .
ATOM 178  O O    . THR Axp A 12  ? 92.442  126.593 26.629 1 100.254 ? 127 A 1 .
ATOM 179  C CB   . THR Axp A 12  ? 90.088  128.321 28.293 1 103.598 ? 127 A 1 .
ATOM 180  O OG1  . THR Axp A 12  ? 89.335  128.474 29.504 1 82.28   ? 127 A 1 .
ATOM 181  C CG2  . THR Axp A 12  ? 89.269  127.679 27.184 1 96.897  ? 127 A 1 .
ATOM 182  H H    . THR Axp A 12  ? 92.104  128.824 29.929 1 104.004 ? 127 A 1 c
ATOM 183  H HA   . THR Axp A 12  ? 91.072  126.557 28.699 1 107.511 ? 127 A 1 c
ATOM 184  H HB   . THR Axp A 12  ? 90.368  129.215 27.983 1 99.53   ? 127 A 1 c
ATOM 185  H HG1  . THR Axp A 12  ? 89.142  127.609 29.757 0 126.02  ? 127 A 1 c
ATOM 186  H HG21 . THR Axp A 12  ? 88.363  128.029 27.205 1 98.875  ? 127 A 1 c
ATOM 187  H HG22 . THR Axp A 12  ? 89.245  126.716 27.311 1 98.979  ? 127 A 1 c
ATOM 188  H HG23 . THR Axp A 12  ? 89.672  127.881 26.323 1 98.915  ? 127 A 1 c
ATOM 189  N N    . LEU Axp A 13  ? 92.99   128.698 27.306 1 120.526 ? 128 A 1 .
ATOM 190  C CA   . LEU Axp A 13  ? 94.109  128.887 26.404 1 110.176 ? 128 A 1 .
ATOM 191  C C    . LEU Axp A 13  ? 94.94   127.606 26.381 1 108.296 ? 128 A 1 .
ATOM 192  O O    . LEU Axp A 13  ? 95.303  127.145 25.307 1 107.027 ? 128 A 1 .
ATOM 193  C CB   . LEU Axp A 13  ? 94.842  130.149 26.861 1 103.49  ? 128 A 1 .
ATOM 194  C CG   . LEU Axp A 13  ? 96.293  130.36  26.419 1 118.46  ? 128 A 1 .
ATOM 195  C CD1  . LEU Axp A 13  ? 96.426  131.687 25.709 1 127.409 ? 128 A 1 .
ATOM 196  C CD2  . LEU Axp A 13  ? 97.245  130.335 27.623 1 132.991 ? 128 A 1 .
ATOM 197  H H    . LEU Axp A 13  ? 92.723  129.406 27.82  1 115.182 ? 128 A 1 c
ATOM 198  H HA   . LEU Axp A 13  ? 93.747  129.038 25.494 1 110.49  ? 128 A 1 c
ATOM 199  H HB3  . LEU Axp A 13  ? 94.82   130.17  27.846 1 108.698 ? 128 A 1 c
ATOM 200  H HB2  . LEU Axp A 13  ? 94.315  130.925 26.562 1 108.641 ? 128 A 1 c
ATOM 201  H HG   . LEU Axp A 13  ? 96.548  129.635 25.792 1 119.585 ? 128 A 1 c
ATOM 202  H HD11 . LEU Axp A 13  ? 95.855  131.694 24.922 1 124.539 ? 128 A 1 c
ATOM 203  H HD12 . LEU Axp A 13  ? 97.35   131.82  25.439 1 124.628 ? 128 A 1 c
ATOM 204  H HD13 . LEU Axp A 13  ? 96.158  132.405 26.308 1 124.539 ? 128 A 1 c
ATOM 205  H HD21 . LEU Axp A 13  ? 97.168  129.481 28.081 1 128.527 ? 128 A 1 c
ATOM 206  H HD22 . LEU Axp A 13  ? 97.012  131.052 28.237 1 128.416 ? 128 A 1 c
ATOM 207  H HD23 . LEU Axp A 13  ? 98.16   130.456 27.317 1 128.527 ? 128 A 1 c
ATOM 208  N N    . GLU Axp A 14  ? 95.131  126.976 27.547 1 112.568 ? 129 A 1 .
ATOM 209  C CA   . GLU Axp A 14  ? 95.849  125.714 27.633 1 117.817 ? 129 A 1 .
ATOM 210  C C    . GLU Axp A 14  ? 94.947  124.519 27.312 1 115.784 ? 129 A 1 .
ATOM 211  O O    . GLU Axp A 14  ? 95.387  123.585 26.625 1 94.326  ? 129 A 1 .
ATOM 212  C CB   . GLU Axp A 14  ? 96.476  125.559 29.019 1 123.721 ? 129 A 1 .
ATOM 213  C CG   . GLU Axp A 14  ? 97.299  124.28  29.159 1 127.307 ? 129 A 1 .
ATOM 214  C CD   . GLU Axp A 14  ? 98.255  124.018 28.003 1 122.523 ? 129 A 1 .
ATOM 215  O OE1  . GLU Axp A 14  ? 98.805  125     27.449 1 96.576  ? 129 A 1 .
ATOM 216  O OE2  . GLU Axp A 14  ? 98.483  122.831 27.677 1 134.818 ? 129 A 1 .
ATOM 217  H H    . GLU Axp A 14  ? 94.823  127.357 28.319 1 112.783 ? 129 A 1 c
ATOM 218  H HA   . GLU Axp A 14  ? 96.576  125.736 26.964 1 117.221 ? 129 A 1 c
ATOM 219  H HB3  . GLU Axp A 14  ? 95.763  125.557 29.691 1 123.149 ? 129 A 1 c
ATOM 220  H HB2  . GLU Axp A 14  ? 97.052  126.332 29.195 1 123.149 ? 129 A 1 c
ATOM 221  H HG3  . GLU Axp A 14  ? 96.691  123.515 29.239 1 125.333 ? 129 A 1 c
ATOM 222  H HG2  . GLU Axp A 14  ? 97.821  124.328 29.988 1 125.371 ? 129 A 1 c
ATOM 223  N N    . CYS Axp A 15  ? 93.717  124.539 27.865 1 116.281 ? 130 A 1 .
ATOM 224  C CA   . CYS Axp A 15  ? 92.711  123.507 27.613 1 122.05  ? 130 A 1 .
ATOM 225  C C    . CYS Axp A 15  ? 92.556  123.34  26.095 1 130.021 ? 130 A 1 .
ATOM 226  O O    . CYS Axp A 15  ? 92.786  122.265 25.542 1 106.447 ? 130 A 1 .
ATOM 227  C CB   . CYS Axp A 15  ? 91.409  123.846 28.35  1 109.815 ? 130 A 1 .
ATOM 228  S SG   . CYS Axp A 15  ? 90.221  122.481 28.549 1 74.694  ? 130 A 1 .
ATOM 229  H H    . CYS Axp A 15  ? 93.503  125.222 28.433 1 117.185 ? 130 A 1 c
ATOM 230  H HA   . CYS Axp A 15  ? 93.056  122.655 27.983 1 119.961 ? 130 A 1 c
ATOM 231  H HB3  . CYS Axp A 15  ? 90.957  124.572 27.866 1 104.635 ? 130 A 1 c
ATOM 232  H HB2  . CYS Axp A 15  ? 91.633  124.18  29.245 1 104.728 ? 130 A 1 c
ATOM 233  H HG   . CYS Axp A 15  ? 89.414  123.425 29.108 0 127.94  ? 130 A 1 c
ATOM 234  N N    . LEU Axp A 16  ? 92.269  124.464 25.427 1 131.947 ? 131 A 1 .
ATOM 235  C CA   . LEU Axp A 16  ? 91.973  124.542 24.005 1 130.655 ? 131 A 1 .
ATOM 236  C C    . LEU Axp A 16  ? 93.081  123.934 23.148 1 132.73  ? 131 A 1 .
ATOM 237  O O    . LEU Axp A 16  ? 92.818  123.505 22.021 1 129.351 ? 131 A 1 .
ATOM 238  C CB   . LEU Axp A 16  ? 91.822  126.028 23.685 1 141.921 ? 131 A 1 .
ATOM 239  C CG   . LEU Axp A 16  ? 90.785  126.4   22.628 1 156.065 ? 131 A 1 .
ATOM 240  C CD1  . LEU Axp A 16  ? 91.04   125.715 21.293 1 161.702 ? 131 A 1 .
ATOM 241  C CD2  . LEU Axp A 16  ? 89.409  126.08  23.192 1 150.119 ? 131 A 1 .
ATOM 242  H H    . LEU Axp A 16  ? 92.255  125.241 25.905 1 130.716 ? 131 A 1 c
ATOM 243  H HA   . LEU Axp A 16  ? 91.122  124.069 23.827 1 133.46  ? 131 A 1 c
ATOM 244  H HB3  . LEU Axp A 16  ? 92.698  126.37  23.392 1 142.182 ? 131 A 1 c
ATOM 245  H HB2  . LEU Axp A 16  ? 91.591  126.503 24.515 1 141.903 ? 131 A 1 c
ATOM 246  H HG   . LEU Axp A 16  ? 90.833  127.38  22.481 1 153.249 ? 131 A 1 c
ATOM 247  H HD11 . LEU Axp A 16  ? 91.995  125.61  21.159 1 159.35  ? 131 A 1 c
ATOM 248  H HD12 . LEU Axp A 16  ? 90.675  126.259 20.576 1 159.823 ? 131 A 1 c
ATOM 249  H HD13 . LEU Axp A 16  ? 90.613  124.842 21.286 1 159.582 ? 131 A 1 c
ATOM 250  H HD21 . LEU Axp A 16  ? 89.351  126.393 24.111 1 151.663 ? 131 A 1 c
ATOM 251  H HD22 . LEU Axp A 16  ? 89.261  125.12  23.169 1 151.615 ? 131 A 1 c
ATOM 252  H HD23 . LEU Axp A 16  ? 88.729  126.523 22.658 1 151.769 ? 131 A 1 c
ATOM 253  N N    . ARG Axp A 17  ? 94.315  123.956 23.669 1 128.092 ? 132 A 1 .
ATOM 254  C CA   . ARG Axp A 17  ? 95.496  123.618 22.893 1 137.04  ? 132 A 1 .
ATOM 255  C C    . ARG Axp A 17  ? 95.488  122.14  22.509 1 147.765 ? 132 A 1 .
ATOM 256  O O    . ARG Axp A 17  ? 95.178  121.778 21.366 1 113.724 ? 132 A 1 .
ATOM 257  C CB   . ARG Axp A 17  ? 96.74   123.963 23.719 1 140.06  ? 132 A 1 .
ATOM 258  C CG   . ARG Axp A 17  ? 98.067  123.666 23.04  1 141.116 ? 132 A 1 .
ATOM 259  C CD   . ARG Axp A 17  ? 99.228  123.995 23.948 1 138.738 ? 132 A 1 .
ATOM 260  N NE   . ARG Axp A 17  ? 100.481 123.949 23.187 1 159.958 ? 132 A 1 .
ATOM 261  C CZ   . ARG Axp A 17  ? 101.64  124.477 23.575 1 192.068 ? 132 A 1 .
ATOM 262  N NH1  . ARG Axp A 17  ? 101.73  125.082 24.747 1 198.81  ? 132 A 1 .
ATOM 263  N NH2  . ARG Axp A 17  ? 102.706 124.402 22.792 1 196.375 ? 132 A 1 .
ATOM 264  H H    . ARG Axp A 17  ? 94.427  124.21  24.539 1 131.202 ? 132 A 1 c
ATOM 265  H HA   . ARG Axp A 17  ? 95.494  124.164 22.066 1 137.656 ? 132 A 1 c
ATOM 266  H HB3  . ARG Axp A 17  ? 96.706  123.47  24.565 1 139.636 ? 132 A 1 c
ATOM 267  H HB2  . ARG Axp A 17  ? 96.71   124.919 23.936 1 139.614 ? 132 A 1 c
ATOM 268  H HG3  . ARG Axp A 17  ? 98.139  124.198 22.218 1 140.336 ? 132 A 1 c
ATOM 269  H HG2  . ARG Axp A 17  ? 98.108  122.715 22.798 1 140.365 ? 132 A 1 c
ATOM 270  H HD3  . ARG Axp A 17  ? 99.269  123.349 24.683 1 144.072 ? 132 A 1 c
ATOM 271  H HD2  . ARG Axp A 17  ? 99.109  124.889 24.328 1 144.268 ? 132 A 1 c
ATOM 272  H HE   . ARG Axp A 17  ? 100.471 123.542 22.416 1 161.719 ? 132 A 1 c
ATOM 273  H HH11 . ARG Axp A 17  ? 101.27  125.822 24.896 1 196.333 ? 132 A 1 c
ATOM 274  H HH12 . ARG Axp A 17  ? 102.249 124.743 25.377 1 196.623 ? 132 A 1 c
ATOM 275  H HH21 . ARG Axp A 17  ? 102.792 124.961 22.113 1 195.04  ? 132 A 1 c
ATOM 276  H HH22 . ARG Axp A 17  ? 103.326 123.792 22.952 1 195.04  ? 132 A 1 c
ATOM 277  N N    . GLU Axp A 18  ? 95.813  121.3   23.504 1 177.147 ? 133 A 1 .
ATOM 278  C CA   . GLU Axp A 18  ? 96.107  119.892 23.299 1 182.694 ? 133 A 1 .
ATOM 279  C C    . GLU Axp A 18  ? 94.813  119.117 23.058 1 164.029 ? 133 A 1 .
ATOM 280  O O    . GLU Axp A 18  ? 94.78   117.898 23.239 1 123.72  ? 133 A 1 .
ATOM 281  C CB   . GLU Axp A 18  ? 96.844  119.381 24.537 1 164.429 ? 133 A 1 .
ATOM 282  C CG   . GLU Axp A 18  ? 95.964  119.297 25.781 1 135.905 ? 133 A 1 .
ATOM 283  C CD   . GLU Axp A 18  ? 96.654  118.53  26.886 1 141.605 ? 133 A 1 .
ATOM 284  O OE1  . GLU Axp A 18  ? 97.442  119.211 27.559 1 174.4   ? 133 A 1 .
ATOM 285  O OE2  . GLU Axp A 18  ? 96.48   117.297 27.057 1 109.801 ? 133 A 1 .
ATOM 286  H H    . GLU Axp A 18  ? 95.827  121.622 24.358 1 169.528 ? 133 A 1 c
ATOM 287  H HA   . GLU Axp A 18  ? 96.691  119.803 22.503 1 174.551 ? 133 A 1 c
ATOM 288  H HB3  . GLU Axp A 18  ? 97.599  119.978 24.723 1 161.226 ? 133 A 1 c
ATOM 289  H HB2  . GLU Axp A 18  ? 97.208  118.492 24.343 1 161.14  ? 133 A 1 c
ATOM 290  H HG3  . GLU Axp A 18  ? 95.129  118.844 25.556 1 143.307 ? 133 A 1 c
ATOM 291  H HG2  . GLU Axp A 18  ? 95.754  120.2   26.1   1 143.578 ? 133 A 1 c
ATOM 292  N N    . LEU Axp A 19  ? 93.778  119.845 22.618 1 143.707 ? 134 A 1 .
ATOM 293  C CA   . LEU Axp A 19  ? 92.409  119.373 22.633 1 141.639 ? 134 A 1 .
ATOM 294  C C    . LEU Axp A 19  ? 91.859  119.506 21.226 1 149.843 ? 134 A 1 .
ATOM 295  O O    . LEU Axp A 19  ? 90.645  119.58  21.047 1 147.992 ? 134 A 1 .
ATOM 296  C CB   . LEU Axp A 19  ? 91.653  120.256 23.627 1 143.28  ? 134 A 1 .
ATOM 297  C CG   . LEU Axp A 19  ? 90.501  119.631 24.427 1 144.59  ? 134 A 1 .
ATOM 298  C CD1  . LEU Axp A 19  ? 90.218  120.51  25.645 1 128.231 ? 134 A 1 .
ATOM 299  C CD2  . LEU Axp A 19  ? 89.212  119.407 23.642 1 149.772 ? 134 A 1 .
ATOM 300  H H    . LEU Axp A 19  ? 93.937  120.678 22.281 1 148.204 ? 134 A 1 c
ATOM 301  H HA   . LEU Axp A 19  ? 92.382  118.426 22.925 1 143.781 ? 134 A 1 c
ATOM 302  H HB3  . LEU Axp A 19  ? 91.3    121.034 23.136 1 143.166 ? 134 A 1 c
ATOM 303  H HB2  . LEU Axp A 19  ? 92.31   120.607 24.269 1 142.714 ? 134 A 1 c
ATOM 304  H HG   . LEU Axp A 19  ? 90.806  118.748 24.759 1 142.085 ? 134 A 1 c
ATOM 305  H HD11 . LEU Axp A 19  ? 90.974  120.473 26.254 1 132.475 ? 134 A 1 c
ATOM 306  H HD12 . LEU Axp A 19  ? 89.421  120.19  26.1   1 132.939 ? 134 A 1 c
ATOM 307  H HD13 . LEU Axp A 19  ? 90.079  121.428 25.358 1 132.788 ? 134 A 1 c
ATOM 308  H HD21 . LEU Axp A 19  ? 89.307  118.621 23.079 1 148.161 ? 134 A 1 c
ATOM 309  H HD22 . LEU Axp A 19  ? 89.031  120.183 23.086 1 148.162 ? 134 A 1 c
ATOM 310  H HD23 . LEU Axp A 19  ? 88.473  119.273 24.259 1 147.955 ? 134 A 1 c
ATOM 311  N N    . ARG Axp A 20  ? 92.763  119.553 20.241 1 145.303 ? 135 A 1 .
ATOM 312  C CA   . ARG Axp A 20  ? 92.317  119.68  18.872 1 143.287 ? 135 A 1 .
ATOM 313  C C    . ARG Axp A 20  ? 91.639  118.372 18.472 1 131.796 ? 135 A 1 .
ATOM 314  O O    . ARG Axp A 20  ? 92.153  117.633 17.647 1 116.047 ? 135 A 1 .
ATOM 315  C CB   . ARG Axp A 20  ? 93.473  120.124 17.975 1 138.775 ? 135 A 1 .
ATOM 316  C CG   . ARG Axp A 20  ? 92.962  120.655 16.64  1 157.486 ? 135 A 1 .
ATOM 317  C CD   . ARG Axp A 20  ? 92.97   119.631 15.489 1 178.556 ? 135 A 1 .
ATOM 318  N NE   . ARG Axp A 20  ? 92.226  120.023 14.283 1 194.147 ? 135 A 1 .
ATOM 319  C CZ   . ARG Axp A 20  ? 92.672  120.072 13.016 1 189.29  ? 135 A 1 .
ATOM 320  N NH1  . ARG Axp A 20  ? 93.935  119.824 12.705 1 182.318 ? 135 A 1 .
ATOM 321  N NH2  . ARG Axp A 20  ? 91.837  120.391 12.042 1 182.569 ? 135 A 1 .
ATOM 322  H H    . ARG Axp A 20  ? 93.657  119.488 20.417 1 145.92  ? 135 A 1 c
ATOM 323  H HA   . ARG Axp A 20  ? 91.633  120.397 18.845 1 140.937 ? 135 A 1 c
ATOM 324  H HB3  . ARG Axp A 20  ? 94.074  119.366 17.815 1 143.865 ? 135 A 1 c
ATOM 325  H HB2  . ARG Axp A 20  ? 93.984  120.828 18.428 1 143.866 ? 135 A 1 c
ATOM 326  H HG3  . ARG Axp A 20  ? 93.513  121.424 16.377 1 157.355 ? 135 A 1 c
ATOM 327  H HG2  . ARG Axp A 20  ? 92.045  120.986 16.757 1 157.191 ? 135 A 1 c
ATOM 328  H HD3  . ARG Axp A 20  ? 92.604  118.789 15.82  1 176.3   ? 135 A 1 c
ATOM 329  H HD2  . ARG Axp A 20  ? 93.903  119.462 15.244 1 176.992 ? 135 A 1 c
ATOM 330  H HE   . ARG Axp A 20  ? 91.393  120.253 14.399 1 189.216 ? 135 A 1 c
ATOM 331  H HH11 . ARG Axp A 20  ? 94.29   119.04  12.904 1 184.435 ? 135 A 1 c
ATOM 332  H HH12 . ARG Axp A 20  ? 94.417  120.444 12.3   1 184.435 ? 135 A 1 c
ATOM 333  H HH21 . ARG Axp A 20  ? 91.322  121.105 12.122 1 184.611 ? 135 A 1 c
ATOM 334  H HH22 . ARG Axp A 20  ? 91.799  119.89  11.315 1 184.611 ? 135 A 1 c
ATOM 335  N N    . GLY Axp A 21  ? 90.483  118.092 19.084 1 138.372 ? 136 A 1 .
ATOM 336  C CA   . GLY Axp A 21  ? 89.584  117.064 18.6   1 152.7   ? 136 A 1 .
ATOM 337  C C    . GLY Axp A 21  ? 88.719  117.652 17.493 1 169.531 ? 136 A 1 .
ATOM 338  O O    . GLY Axp A 21  ? 88.81   118.849 17.234 1 154.717 ? 136 A 1 .
ATOM 339  H H    . GLY Axp A 21  ? 90.237  118.572 19.821 1 140     ? 136 A 1 c
ATOM 340  H HA3  . GLY Axp A 21  ? 89.015  116.746 19.34  1 152.599 ? 136 A 1 c
ATOM 341  H HA2  . GLY Axp A 21  ? 90.103  116.3   18.255 1 152.309 ? 136 A 1 c
ATOM 342  N N    . SER Axp A 22  ? 87.89   116.797 16.873 1 205.814 ? 137 A 1 .
ATOM 343  C CA   . SER Axp A 22  ? 87.115  117.118 15.679 1 212.348 ? 137 A 1 .
ATOM 344  C C    . SER Axp A 22  ? 86.518  118.522 15.767 1 213.327 ? 137 A 1 .
ATOM 345  O O    . SER Axp A 22  ? 86.647  119.318 14.837 1 233.732 ? 137 A 1 .
ATOM 346  C CB   . SER Axp A 22  ? 86.022  116.088 15.418 1 197.777 ? 137 A 1 .
ATOM 347  O OG   . SER Axp A 22  ? 86.53   114.902 14.817 1 186.17  ? 137 A 1 .
ATOM 348  H H    . SER Axp A 22  ? 87.805  115.956 17.223 1 197.541 ? 137 A 1 c
ATOM 349  H HA   . SER Axp A 22  ? 87.737  117.104 14.907 1 208.636 ? 137 A 1 c
ATOM 350  H HB3  . SER Axp A 22  ? 85.345  116.479 14.833 1 198.109 ? 137 A 1 c
ATOM 351  H HB2  . SER Axp A 22  ? 85.592  115.86  16.263 1 197.825 ? 137 A 1 c
ATOM 352  H HG   . SER Axp A 22  ? 85.768  114.103 14.828 0 143.39  ? 137 A 1 c
ATOM 353  N N    . GLU Axp A 23  ? 85.832  118.81  16.876 1 184.104 ? 138 A 1 .
ATOM 354  C CA   . GLU Axp A 23  ? 85.239  120.118 17.07  1 159.808 ? 138 A 1 .
ATOM 355  C C    . GLU Axp A 23  ? 85.224  120.467 18.552 1 139.904 ? 138 A 1 .
ATOM 356  O O    . GLU Axp A 23  ? 84.833  119.666 19.403 1 131.034 ? 138 A 1 .
ATOM 357  C CB   . GLU Axp A 23  ? 83.855  120.141 16.428 1 160.628 ? 138 A 1 .
ATOM 358  C CG   . GLU Axp A 23  ? 83.885  120.717 15.016 1 165.921 ? 138 A 1 .
ATOM 359  C CD   . GLU Axp A 23  ? 82.911  120.102 14.03  1 169.568 ? 138 A 1 .
ATOM 360  O OE1  . GLU Axp A 23  ? 82.894  118.857 13.917 1 169.204 ? 138 A 1 .
ATOM 361  O OE2  . GLU Axp A 23  ? 82.2    120.868 13.343 1 167.051 ? 138 A 1 .
ATOM 362  H H    . GLU Axp A 23  ? 85.727  118.173 17.523 1 184.649 ? 138 A 1 c
ATOM 363  H HA   . GLU Axp A 23  ? 85.806  120.784 16.605 1 160.683 ? 138 A 1 c
ATOM 364  H HB3  . GLU Axp A 23  ? 83.258  120.683 16.982 1 161.368 ? 138 A 1 c
ATOM 365  H HB2  . GLU Axp A 23  ? 83.499  119.229 16.407 1 161.778 ? 138 A 1 c
ATOM 366  H HG3  . GLU Axp A 23  ? 84.788  120.621 14.651 1 166.051 ? 138 A 1 c
ATOM 367  H HG2  . GLU Axp A 23  ? 83.7    121.679 15.067 1 165.639 ? 138 A 1 c
ATOM 368  N N    . VAL Axp A 24  ? 85.678  121.69  18.827 1 127.202 ? 139 A 1 .
ATOM 369  C CA   . VAL Axp A 24  ? 85.647  122.242 20.168 1 144.852 ? 139 A 1 .
ATOM 370  C C    . VAL Axp A 24  ? 84.809  123.516 20.153 1 142.931 ? 139 A 1 .
ATOM 371  O O    . VAL Axp A 24  ? 85.107  124.455 19.417 1 144.089 ? 139 A 1 .
ATOM 372  C CB   . VAL Axp A 24  ? 87.066  122.516 20.696 1 160.255 ? 139 A 1 .
ATOM 373  C CG1  . VAL Axp A 24  ? 87.033  123.015 22.138 1 147.691 ? 139 A 1 .
ATOM 374  C CG2  . VAL Axp A 24  ? 87.965  121.293 20.54  1 183.168 ? 139 A 1 .
ATOM 375  H H    . VAL Axp A 24  ? 86.02   122.203 18.153 1 134.408 ? 139 A 1 c
ATOM 376  H HA   . VAL Axp A 24  ? 85.222  121.596 20.758 1 143.322 ? 139 A 1 c
ATOM 377  H HB   . VAL Axp A 24  ? 87.446  123.235 20.14  1 158.85  ? 139 A 1 c
ATOM 378  H HG11 . VAL Axp A 24  ? 86.35   122.532 22.633 1 151.258 ? 139 A 1 c
ATOM 379  H HG12 . VAL Axp A 24  ? 86.828  123.965 22.149 1 151.299 ? 139 A 1 c
ATOM 380  H HG13 . VAL Axp A 24  ? 87.899  122.867 22.554 1 151.588 ? 139 A 1 c
ATOM 381  H HG21 . VAL Axp A 24  ? 88.793  121.434 21.029 1 175.659 ? 139 A 1 c
ATOM 382  H HG22 . VAL Axp A 24  ? 88.167  121.154 19.599 1 175.698 ? 139 A 1 c
ATOM 383  H HG23 . VAL Axp A 24  ? 87.512  120.509 20.892 1 175.94  ? 139 A 1 c
ATOM 384  N N    . PHE Axp A 25  ? 83.77   123.54  20.996 1 140.296 ? 140 A 1 .
ATOM 385  C CA   . PHE Axp A 25  ? 82.886  124.686 21.077 1 131.186 ? 140 A 1 .
ATOM 386  C C    . PHE Axp A 25  ? 83.043  125.318 22.447 1 119.266 ? 140 A 1 .
ATOM 387  O O    . PHE Axp A 25  ? 83.126  124.602 23.446 1 112.499 ? 140 A 1 .
ATOM 388  C CB   . PHE Axp A 25  ? 81.438  124.292 20.788 1 135.459 ? 140 A 1 .
ATOM 389  C CG   . PHE Axp A 25  ? 81.247  123.851 19.344 1 149.154 ? 140 A 1 .
ATOM 390  C CD1  . PHE Axp A 25  ? 81.122  124.783 18.317 1 153.494 ? 140 A 1 .
ATOM 391  C CD2  . PHE Axp A 25  ? 81.216  122.503 19.01  1 154.922 ? 140 A 1 .
ATOM 392  C CE1  . PHE Axp A 25  ? 80.96   124.377 17.004 1 148.42  ? 140 A 1 .
ATOM 393  C CE2  . PHE Axp A 25  ? 81.054  122.105 17.693 1 146.495 ? 140 A 1 .
ATOM 394  C CZ   . PHE Axp A 25  ? 80.923  123.042 16.697 1 149.13  ? 140 A 1 .
ATOM 395  H H    . PHE Axp A 25  ? 83.61   122.821 21.537 1 138.878 ? 140 A 1 c
ATOM 396  H HA   . PHE Axp A 25  ? 83.166  125.346 20.392 1 131.359 ? 140 A 1 c
ATOM 397  H HB3  . PHE Axp A 25  ? 80.856  125.064 20.97  1 137.457 ? 140 A 1 c
ATOM 398  H HB2  . PHE Axp A 25  ? 81.183  123.561 21.387 1 137.467 ? 140 A 1 c
ATOM 399  H HD1  . PHE Axp A 25  ? 81.141  125.704 18.523 1 151.076 ? 140 A 1 c
ATOM 400  H HD2  . PHE Axp A 25  ? 81.304  121.853 19.689 1 151.439 ? 140 A 1 c
ATOM 401  H HE1  . PHE Axp A 25  ? 80.869  125.022 16.321 1 149.717 ? 140 A 1 c
ATOM 402  H HE2  . PHE Axp A 25  ? 81.028  121.186 17.481 1 149.117 ? 140 A 1 c
ATOM 403  H HZ   . PHE Axp A 25  ? 80.812  122.766 15.801 1 148.407 ? 140 A 1 c
ATOM 404  N N    . VAL Axp A 26  ? 83.083  126.656 22.458 1 109.908 ? 141 A 1 .
ATOM 405  C CA   . VAL Axp A 26  ? 83.308  127.389 23.689 1 121.561 ? 141 A 1 .
ATOM 406  C C    . VAL Axp A 26  ? 82.159  128.361 23.912 1 112.466 ? 141 A 1 .
ATOM 407  O O    . VAL Axp A 26  ? 81.86   129.17  23.039 1 119.422 ? 141 A 1 .
ATOM 408  C CB   . VAL Axp A 26  ? 84.64   128.151 23.71  1 130.371 ? 141 A 1 .
ATOM 409  C CG1  . VAL Axp A 26  ? 84.985  128.566 25.134 1 132.174 ? 141 A 1 .
ATOM 410  C CG2  . VAL Axp A 26  ? 85.764  127.326 23.105 1 144.21  ? 141 A 1 .
ATOM 411  H H    . VAL Axp A 26  ? 82.963  127.122 21.68  1 114.891 ? 141 A 1 c
ATOM 412  H HA   . VAL Axp A 26  ? 83.315  126.753 24.424 1 118.905 ? 141 A 1 c
ATOM 413  H HB   . VAL Axp A 26  ? 84.526  128.966 23.167 1 131.292 ? 141 A 1 c
ATOM 414  H HG11 . VAL Axp A 26  ? 84.973  127.785 25.712 1 131.535 ? 141 A 1 c
ATOM 415  H HG12 . VAL Axp A 26  ? 84.334  129.214 25.451 1 131.528 ? 141 A 1 c
ATOM 416  H HG13 . VAL Axp A 26  ? 85.871  128.966 25.15  1 131.65  ? 141 A 1 c
ATOM 417  H HG21 . VAL Axp A 26  ? 86.621  127.713 23.35  1 139.825 ? 141 A 1 c
ATOM 418  H HG22 . VAL Axp A 26  ? 85.678  127.32  22.137 1 139.768 ? 141 A 1 c
ATOM 419  H HG23 . VAL Axp A 26  ? 85.714  126.415 23.44  1 139.906 ? 141 A 1 c
ATOM 420  N N    . LEU Axp A 27  ? 81.557  128.289 25.102 1 98.071  ? 142 A 1 .
ATOM 421  C CA   . LEU Axp A 27  ? 80.462  129.172 25.458 1 117.086 ? 142 A 1 .
ATOM 422  C C    . LEU Axp A 27  ? 80.949  130.097 26.565 1 117.082 ? 142 A 1 .
ATOM 423  O O    . LEU Axp A 27  ? 81.352  129.627 27.631 1 123.427 ? 142 A 1 .
ATOM 424  C CB   . LEU Axp A 27  ? 79.237  128.348 25.869 1 129.736 ? 142 A 1 .
ATOM 425  C CG   . LEU Axp A 27  ? 78      129.084 26.414 1 130.432 ? 142 A 1 .
ATOM 426  C CD1  . LEU Axp A 27  ? 77.642  130.249 25.54  1 137.241 ? 142 A 1 .
ATOM 427  C CD2  . LEU Axp A 27  ? 76.776  128.173 26.518 1 125.005 ? 142 A 1 .
ATOM 428  H H    . LEU Axp A 27  ? 81.839  127.67  25.712 1 105.79  ? 142 A 1 c
ATOM 429  H HA   . LEU Axp A 27  ? 80.232  129.715 24.668 1 115.199 ? 142 A 1 c
ATOM 430  H HB3  . LEU Axp A 27  ? 79.527  127.698 26.548 1 126.917 ? 142 A 1 c
ATOM 431  H HB2  . LEU Axp A 27  ? 78.955  127.819 25.087 1 126.889 ? 142 A 1 c
ATOM 432  H HG   . LEU Axp A 27  ? 78.213  129.426 27.321 1 130.478 ? 142 A 1 c
ATOM 433  H HD11 . LEU Axp A 27  ? 78.288  130.964 25.67  1 134.706 ? 142 A 1 c
ATOM 434  H HD12 . LEU Axp A 27  ? 76.755  130.571 25.772 1 134.764 ? 142 A 1 c
ATOM 435  H HD13 . LEU Axp A 27  ? 77.651  129.971 24.61  1 134.736 ? 142 A 1 c
ATOM 436  H HD21 . LEU Axp A 27  ? 76.957  127.462 27.154 1 126.616 ? 142 A 1 c
ATOM 437  H HD22 . LEU Axp A 27  ? 76.584  127.786 25.647 1 126.593 ? 142 A 1 c
ATOM 438  H HD23 . LEU Axp A 27  ? 76.009  128.689 26.819 1 126.626 ? 142 A 1 c
ATOM 439  N N    . ALA Axp A 28  ? 80.904  131.407 26.283 1 108.364 ? 143 A 1 .
ATOM 440  C CA   . ALA Axp A 28  ? 81.206  132.417 27.282 1 119.631 ? 143 A 1 .
ATOM 441  C C    . ALA Axp A 28  ? 80.383  133.689 27.056 1 128.239 ? 143 A 1 .
ATOM 442  O O    . ALA Axp A 28  ? 79.876  133.919 25.957 1 116.552 ? 143 A 1 .
ATOM 443  C CB   . ALA Axp A 28  ? 82.685  132.698 27.255 1 125.042 ? 143 A 1 .
ATOM 444  H H    . ALA Axp A 28  ? 80.679  131.678 25.439 1 113.014 ? 143 A 1 c
ATOM 445  H HA   . ALA Axp A 28  ? 80.964  132.05  28.177 1 119.844 ? 143 A 1 c
ATOM 446  H HB3  . ALA Axp A 28  ? 82.904  133.363 27.929 1 123.406 ? 143 A 1 c
ATOM 447  H HB2  . ALA Axp A 28  ? 82.939  133.033 26.379 1 123.406 ? 143 A 1 c
ATOM 448  H HB1  . ALA Axp A 28  ? 83.176  131.88  27.44  1 123.406 ? 143 A 1 c
ATOM 449  N N    . GLU Axp A 29  ? 80.237  134.49  28.127 1 121.836 ? 144 A 1 .
ATOM 450  C CA   . GLU Axp A 29  ? 79.573  135.782 28.058 1 122.734 ? 144 A 1 .
ATOM 451  C C    . GLU Axp A 29  ? 80.562  136.835 27.564 1 130.485 ? 144 A 1 .
ATOM 452  O O    . GLU Axp A 29  ? 80.293  137.558 26.613 1 139.276 ? 144 A 1 .
ATOM 453  C CB   . GLU Axp A 29  ? 79.027  136.181 29.426 1 123.837 ? 144 A 1 .
ATOM 454  C CG   . GLU Axp A 29  ? 77.818  135.365 29.872 1 126.157 ? 144 A 1 .
ATOM 455  C CD   . GLU Axp A 29  ? 77.237  135.789 31.217 1 127.174 ? 144 A 1 .
ATOM 456  O OE1  . GLU Axp A 29  ? 77.93   135.642 32.253 1 107.332 ? 144 A 1 .
ATOM 457  O OE2  . GLU Axp A 29  ? 76.07   136.249 31.238 1 121.055 ? 144 A 1 .
ATOM 458  H H    . GLU Axp A 29  ? 80.57   134.214 28.933 1 123.488 ? 144 A 1 c
ATOM 459  H HA   . GLU Axp A 29  ? 78.822  135.719 27.414 1 124.116 ? 144 A 1 c
ATOM 460  H HB3  . GLU Axp A 29  ? 78.774  137.128 29.401 1 124.173 ? 144 A 1 c
ATOM 461  H HB2  . GLU Axp A 29  ? 79.739  136.081 30.092 1 124.266 ? 144 A 1 c
ATOM 462  H HG3  . GLU Axp A 29  ? 78.076  134.42  29.929 1 125.851 ? 144 A 1 c
ATOM 463  H HG2  . GLU Axp A 29  ? 77.115  135.439 29.192 1 125.826 ? 144 A 1 c
ATOM 464  N N    . ASP Axp A 30  ? 81.713  136.892 28.234 1 152.888 ? 145 A 1 .
ATOM 465  C CA   . ASP Axp A 30  ? 82.831  137.761 27.888 1 166.669 ? 145 A 1 .
ATOM 466  C C    . ASP Axp A 30  ? 83.222  137.633 26.408 1 145     ? 145 A 1 .
ATOM 467  O O    . ASP Axp A 30  ? 84.087  136.838 26.011 1 107.271 ? 145 A 1 .
ATOM 468  C CB   . ASP Axp A 30  ? 83.977  137.545 28.869 1 192.284 ? 145 A 1 .
ATOM 469  C CG   . ASP Axp A 30  ? 84.086  136.151 29.483 1 185.748 ? 145 A 1 .
ATOM 470  O OD1  . ASP Axp A 30  ? 83.096  135.691 30.107 1 167.658 ? 145 A 1 .
ATOM 471  O OD2  . ASP Axp A 30  ? 85.164  135.537 29.352 1 167.081 ? 145 A 1 .
ATOM 472  H H    . ASP Axp A 30  ? 81.799  136.359 28.971 1 149.852 ? 145 A 1 c
ATOM 473  H HA   . ASP Axp A 30  ? 82.538  138.688 28.038 1 163.813 ? 145 A 1 c
ATOM 474  H HB3  . ASP Axp A 30  ? 83.878  138.187 29.603 1 184.458 ? 145 A 1 c
ATOM 475  H HB2  . ASP Axp A 30  ? 84.823  137.744 28.415 1 183.753 ? 145 A 1 c
ATOM 476  N N    . GLU Axp A 31  ? 82.619  138.505 25.595 1 134.246 ? 146 A 1 .
ATOM 477  C CA   . GLU Axp A 31  ? 82.942  138.596 24.181 1 138.63  ? 146 A 1 .
ATOM 478  C C    . GLU Axp A 31  ? 84.439  138.83  23.975 1 126.516 ? 146 A 1 .
ATOM 479  O O    . GLU Axp A 31  ? 84.966  138.498 22.914 1 118.547 ? 146 A 1 .
ATOM 480  C CB   . GLU Axp A 31  ? 82.126  139.713 23.528 1 153.705 ? 146 A 1 .
ATOM 481  C CG   . GLU Axp A 31  ? 82.39   139.918 22.035 1 174.769 ? 146 A 1 .
ATOM 482  C CD   . GLU Axp A 31  ? 81.804  138.912 21.046 1 172.847 ? 146 A 1 .
ATOM 483  O OE1  . GLU Axp A 31  ? 81.234  137.887 21.459 1 147.616 ? 146 A 1 .
ATOM 484  O OE2  . GLU Axp A 31  ? 81.909  139.159 19.824 1 155.451 ? 146 A 1 .
ATOM 485  H H    . GLU Axp A 31  ? 81.978  139.061 25.934 1 138.225 ? 146 A 1 c
ATOM 486  H HA   . GLU Axp A 31  ? 82.698  137.737 23.753 1 138.058 ? 146 A 1 c
ATOM 487  H HB3  . GLU Axp A 31  ? 82.318  140.554 23.995 1 154.599 ? 146 A 1 c
ATOM 488  H HB2  . GLU Axp A 31  ? 81.174  139.517 23.651 1 154.6   ? 146 A 1 c
ATOM 489  H HG3  . GLU Axp A 31  ? 83.357  139.95  21.89  1 168.644 ? 146 A 1 c
ATOM 490  H HG2  . GLU Axp A 31  ? 82.05   140.804 21.788 1 169.163 ? 146 A 1 c
ATOM 491  N N    . ASN Axp A 32  ? 85.125  139.384 24.986 1 121.465 ? 147 A 1 .
ATOM 492  C CA   . ASN Axp A 32  ? 86.555  139.67  24.912 1 127.39  ? 147 A 1 .
ATOM 493  C C    . ASN Axp A 32  ? 87.374  138.531 24.299 1 127.841 ? 147 A 1 .
ATOM 494  O O    . ASN Axp A 32  ? 88.378  138.774 23.63  1 119.517 ? 147 A 1 .
ATOM 495  C CB   . ASN Axp A 32  ? 87.136  140.035 26.276 1 138.369 ? 147 A 1 .
ATOM 496  C CG   . ASN Axp A 32  ? 87.568  141.483 26.356 1 162.265 ? 147 A 1 .
ATOM 497  O OD1  . ASN Axp A 32  ? 88.735  141.781 26.65  1 153.824 ? 147 A 1 .
ATOM 498  N ND2  . ASN Axp A 32  ? 86.649  142.397 26.084 1 192.146 ? 147 A 1 .
ATOM 499  H H    . ASN Axp A 32  ? 84.676  139.622 25.745 1 124.495 ? 147 A 1 c
ATOM 500  H HA   . ASN Axp A 32  ? 86.666  140.456 24.33  1 128.988 ? 147 A 1 c
ATOM 501  H HB3  . ASN Axp A 32  ? 87.908  139.463 26.459 1 140.814 ? 147 A 1 c
ATOM 502  H HB2  . ASN Axp A 32  ? 86.466  139.864 26.968 1 140.611 ? 147 A 1 c
ATOM 503  H HD21 . ASN Axp A 32  ? 86.506  142.644 25.244 1 181.837 ? 147 A 1 c
ATOM 504  H HD22 . ASN Axp A 32  ? 86.179  142.76  26.742 1 182.265 ? 147 A 1 c
ATOM 505  N N    . VAL Axp A 33  ? 86.957  137.288 24.546 1 146.36  ? 148 A 1 .
ATOM 506  C CA   . VAL Axp A 33  ? 87.748  136.12  24.193 1 145.331 ? 148 A 1 .
ATOM 507  C C    . VAL Axp A 33  ? 87.601  135.777 22.707 1 143.876 ? 148 A 1 .
ATOM 508  O O    . VAL Axp A 33  ? 88.507  135.176 22.134 1 128.139 ? 148 A 1 .
ATOM 509  C CB   . VAL Axp A 33  ? 87.302  134.971 25.122 1 142.827 ? 148 A 1 .
ATOM 510  C CG1  . VAL Axp A 33  ? 87.857  133.618 24.706 1 147.278 ? 148 A 1 .
ATOM 511  C CG2  . VAL Axp A 33  ? 87.664  135.255 26.574 1 138.109 ? 148 A 1 .
ATOM 512  H H    . VAL Axp A 33  ? 86.156  137.162 24.966 1 141.163 ? 148 A 1 c
ATOM 513  H HA   . VAL Axp A 33  ? 88.687  136.316 24.375 1 144.559 ? 148 A 1 c
ATOM 514  H HB   . VAL Axp A 33  ? 86.319  134.916 25.065 1 143.198 ? 148 A 1 c
ATOM 515  H HG11 . VAL Axp A 33  ? 88.828  133.653 24.699 1 145.651 ? 148 A 1 c
ATOM 516  H HG12 . VAL Axp A 33  ? 87.534  133.39  23.819 1 145.466 ? 148 A 1 c
ATOM 517  H HG13 . VAL Axp A 33  ? 87.561  132.943 25.336 1 144.883 ? 148 A 1 c
ATOM 518  H HG21 . VAL Axp A 33  ? 87.105  134.717 27.159 1 139.383 ? 148 A 1 c
ATOM 519  H HG22 . VAL Axp A 33  ? 87.522  136.196 26.769 1 139.535 ? 148 A 1 c
ATOM 520  H HG23 . VAL Axp A 33  ? 88.598  135.031 26.726 1 139.514 ? 148 A 1 c
ATOM 521  N N    . ARG Axp A 34  ? 86.455  136.14  22.109 1 147.775 ? 149 A 1 .
ATOM 522  C CA   . ARG Axp A 34  ? 86.134  135.893 20.71  1 129.08  ? 149 A 1 .
ATOM 523  C C    . ARG Axp A 34  ? 87.386  135.538 19.92  1 122.361 ? 149 A 1 .
ATOM 524  O O    . ARG Axp A 34  ? 87.487  134.418 19.424 1 100.341 ? 149 A 1 .
ATOM 525  C CB   . ARG Axp A 34  ? 85.473  137.136 20.095 1 143.481 ? 149 A 1 .
ATOM 526  C CG   . ARG Axp A 34  ? 85.104  137.052 18.617 1 156.082 ? 149 A 1 .
ATOM 527  C CD   . ARG Axp A 34  ? 83.737  136.427 18.373 1 156.802 ? 149 A 1 .
ATOM 528  N NE   . ARG Axp A 34  ? 83.531  135.954 17.001 1 161.485 ? 149 A 1 .
ATOM 529  C CZ   . ARG Axp A 34  ? 82.404  135.404 16.559 1 171.4   ? 149 A 1 .
ATOM 530  N NH1  . ARG Axp A 34  ? 81.317  135.406 17.316 1 168.436 ? 149 A 1 .
ATOM 531  N NH2  . ARG Axp A 34  ? 82.363  134.873 15.35  1 182.314 ? 149 A 1 .
ATOM 532  H H    . ARG Axp A 34  ? 85.826  136.566 22.616 1 142.435 ? 149 A 1 c
ATOM 533  H HA   . ARG Axp A 34  ? 85.5    135.133 20.664 1 133.544 ? 149 A 1 c
ATOM 534  H HB3  . ARG Axp A 34  ? 86.075  137.9   20.22  1 142.586 ? 149 A 1 c
ATOM 535  H HB2  . ARG Axp A 34  ? 84.656  137.326 20.603 1 142.688 ? 149 A 1 c
ATOM 536  H HG3  . ARG Axp A 34  ? 85.782  136.526 18.142 1 153.162 ? 149 A 1 c
ATOM 537  H HG2  . ARG Axp A 34  ? 85.111  137.956 18.235 1 153.261 ? 149 A 1 c
ATOM 538  H HD3  . ARG Axp A 34  ? 83.049  137.089 18.588 1 157.746 ? 149 A 1 c
ATOM 539  H HD2  . ARG Axp A 34  ? 83.625  135.675 18.988 1 157.602 ? 149 A 1 c
ATOM 540  H HE   . ARG Axp A 34  ? 84.189  136.039 16.435 1 162.692 ? 149 A 1 c
ATOM 541  H HH11 . ARG Axp A 34  ? 81.112  134.689 17.791 1 169.342 ? 149 A 1 c
ATOM 542  H HH12 . ARG Axp A 34  ? 80.801  136.123 17.342 1 169.342 ? 149 A 1 c
ATOM 543  H HH21 . ARG Axp A 34  ? 83.069  134.444 15.035 1 178.882 ? 149 A 1 c
ATOM 544  H HH22 . ARG Axp A 34  ? 81.63   134.949 14.861 1 178.883 ? 149 A 1 c
ATOM 545  N N    . LYS Axp A 35  ? 88.303  136.518 19.806 1 128.176 ? 150 A 1 .
ATOM 546  C CA   . LYS Axp A 35  ? 89.445  136.442 18.906 1 126.369 ? 150 A 1 .
ATOM 547  C C    . LYS Axp A 35  ? 90.318  135.247 19.28  1 126.124 ? 150 A 1 .
ATOM 548  O O    . LYS Axp A 35  ? 90.719  134.494 18.398 1 119.891 ? 150 A 1 .
ATOM 549  C CB   . LYS Axp A 35  ? 90.266  137.739 18.907 1 133.032 ? 150 A 1 .
ATOM 550  C CG   . LYS Axp A 35  ? 90.873  138.131 20.259 1 146.063 ? 150 A 1 .
ATOM 551  C CD   . LYS Axp A 35  ? 92.049  139.101 20.214 1 128.209 ? 150 A 1 .
ATOM 552  C CE   . LYS Axp A 35  ? 92.79   139.057 21.505 1 105.926 ? 150 A 1 .
ATOM 553  N NZ   . LYS Axp A 35  ? 93.913  139.981 21.438 1 106.389 ? 150 A 1 .
ATOM 554  H H    . LYS Axp A 35  ? 88.211  137.265 20.324 1 127.013 ? 150 A 1 c
ATOM 555  H HA   . LYS Axp A 35  ? 89.1    136.298 17.988 1 127.819 ? 150 A 1 c
ATOM 556  H HB3  . LYS Axp A 35  ? 89.691  138.473 18.603 1 134.313 ? 150 A 1 c
ATOM 557  H HB2  . LYS Axp A 35  ? 90.996  137.646 18.257 1 134.269 ? 150 A 1 c
ATOM 558  H HG3  . LYS Axp A 35  ? 91.166  137.316 20.713 1 138.067 ? 150 A 1 c
ATOM 559  H HG2  . LYS Axp A 35  ? 90.162  138.529 20.807 1 138.577 ? 150 A 1 c
ATOM 560  H HD3  . LYS Axp A 35  ? 91.719  140.013 20.058 1 126.147 ? 150 A 1 c
ATOM 561  H HD2  . LYS Axp A 35  ? 92.655  138.853 19.482 1 126.299 ? 150 A 1 c
ATOM 562  H HE3  . LYS Axp A 35  ? 93.125  138.157 21.668 1 110.99  ? 150 A 1 c
ATOM 563  H HE2  . LYS Axp A 35  ? 92.204  139.308 22.239 1 111.084 ? 150 A 1 c
ATOM 564  H HZ1  . LYS Axp A 35  ? 93.623  140.811 21.22  1 106.523 ? 150 A 1 c
ATOM 565  H HZ2  . LYS Axp A 35  ? 94.504  139.699 20.812 1 106.419 ? 150 A 1 c
ATOM 566  H HZ3  . LYS Axp A 35  ? 94.328  140.015 22.243 1 106.332 ? 150 A 1 c
ATOM 567  N N    . LYS Axp A 36  ? 90.557  135.061 20.589 1 123.485 ? 151 A 1 .
ATOM 568  C CA   . LYS Axp A 36  ? 91.518  134.089 21.095 1 128.63  ? 151 A 1 .
ATOM 569  C C    . LYS Axp A 36  ? 91.098  132.665 20.741 1 123.389 ? 151 A 1 .
ATOM 570  O O    . LYS Axp A 36  ? 91.898  131.893 20.201 1 120.256 ? 151 A 1 .
ATOM 571  C CB   . LYS Axp A 36  ? 91.707  134.226 22.613 1 134.265 ? 151 A 1 .
ATOM 572  C CG   . LYS Axp A 36  ? 92.863  135.121 23.012 1 147.694 ? 151 A 1 .
ATOM 573  C CD   . LYS Axp A 36  ? 92.667  135.954 24.271 1 133.872 ? 151 A 1 .
ATOM 574  C CE   . LYS Axp A 36  ? 93.833  136.872 24.425 1 142.737 ? 151 A 1 .
ATOM 575  N NZ   . LYS Axp A 36  ? 93.421  138.178 24.94  1 164.858 ? 151 A 1 .
ATOM 576  H H    . LYS Axp A 36  ? 90.084  135.556 21.195 1 125.726 ? 151 A 1 c
ATOM 577  H HA   . LYS Axp A 36  ? 92.389  134.268 20.658 1 127.775 ? 151 A 1 c
ATOM 578  H HB3  . LYS Axp A 36  ? 91.858  133.335 22.996 1 135.809 ? 151 A 1 c
ATOM 579  H HB2  . LYS Axp A 36  ? 90.884  134.584 23.008 1 135.705 ? 151 A 1 c
ATOM 580  H HG3  . LYS Axp A 36  ? 93.05   135.728 22.263 1 141.154 ? 151 A 1 c
ATOM 581  H HG2  . LYS Axp A 36  ? 93.658  134.557 23.132 1 141.264 ? 151 A 1 c
ATOM 582  H HD3  . LYS Axp A 36  ? 92.608  135.365 25.055 1 138.961 ? 151 A 1 c
ATOM 583  H HD2  . LYS Axp A 36  ? 91.841  136.479 24.199 1 139.17  ? 151 A 1 c
ATOM 584  H HE3  . LYS Axp A 36  ? 94.278  136.999 23.568 1 145.55  ? 151 A 1 c
ATOM 585  H HE2  . LYS Axp A 36  ? 94.475  136.477 25.042 1 145.54  ? 151 A 1 c
ATOM 586  H HZ1  . LYS Axp A 36  ? 92.986  138.073 25.728 1 157.365 ? 151 A 1 c
ATOM 587  H HZ2  . LYS Axp A 36  ? 92.87   138.584 24.348 1 156.854 ? 151 A 1 c
ATOM 588  H HZ3  . LYS Axp A 36  ? 94.152  138.698 25.071 1 157.477 ? 151 A 1 c
ATOM 589  N N    . VAL Axp A 37  ? 89.841  132.333 21.056 1 118.163 ? 152 A 1 .
ATOM 590  C CA   . VAL Axp A 37  ? 89.316  130.989 20.858 1 126.468 ? 152 A 1 .
ATOM 591  C C    . VAL Axp A 37  ? 89.466  130.593 19.387 1 130.35  ? 152 A 1 .
ATOM 592  O O    . VAL Axp A 37  ? 89.923  129.493 19.074 1 97.488  ? 152 A 1 .
ATOM 593  C CB   . VAL Axp A 37  ? 87.85   130.893 21.337 1 132.269 ? 152 A 1 .
ATOM 594  C CG1  . VAL Axp A 37  ? 87.055  129.834 20.58  1 150.046 ? 152 A 1 .
ATOM 595  C CG2  . VAL Axp A 37  ? 87.746  130.666 22.84  1 125.906 ? 152 A 1 .
ATOM 596  H H    . VAL Axp A 37  ? 89.291  132.969 21.414 1 121.458 ? 152 A 1 c
ATOM 597  H HA   . VAL Axp A 37  ? 89.853  130.374 21.396 1 126.526 ? 152 A 1 c
ATOM 598  H HB   . VAL Axp A 37  ? 87.428  131.763 21.144 1 132.913 ? 152 A 1 c
ATOM 599  H HG11 . VAL Axp A 37  ? 87.58   129.02  20.509 1 144.45  ? 152 A 1 c
ATOM 600  H HG12 . VAL Axp A 37  ? 86.84   130.161 19.69  1 144.449 ? 152 A 1 c
ATOM 601  H HG13 . VAL Axp A 37  ? 86.231  129.644 21.06  1 144.415 ? 152 A 1 c
ATOM 602  H HG21 . VAL Axp A 37  ? 86.855  130.908 23.144 1 127.69  ? 152 A 1 c
ATOM 603  H HG22 . VAL Axp A 37  ? 88.404  131.216 23.296 1 127.507 ? 152 A 1 c
ATOM 604  H HG23 . VAL Axp A 37  ? 87.913  129.73  23.04  1 127.69  ? 152 A 1 c
ATOM 605  N N    . LEU Axp A 38  ? 89.049  131.501 18.495 1 145.212 ? 153 A 1 .
ATOM 606  C CA   . LEU Axp A 38  ? 89.095  131.266 17.063 1 142.942 ? 153 A 1 .
ATOM 607  C C    . LEU Axp A 38  ? 90.553  131.145 16.621 1 146.731 ? 153 A 1 .
ATOM 608  O O    . LEU Axp A 38  ? 90.903  130.156 15.97  1 128.637 ? 153 A 1 .
ATOM 609  C CB   . LEU Axp A 38  ? 88.35   132.392 16.341 1 151.544 ? 153 A 1 .
ATOM 610  C CG   . LEU Axp A 38  ? 86.846  132.512 16.628 1 166.65  ? 153 A 1 .
ATOM 611  C CD1  . LEU Axp A 38  ? 86.204  133.635 15.812 1 168.62  ? 153 A 1 .
ATOM 612  C CD2  . LEU Axp A 38  ? 86.118  131.191 16.382 1 174.483 ? 153 A 1 .
ATOM 613  H H    . LEU Axp A 38  ? 88.721  132.299 18.796 1 141.109 ? 153 A 1 c
ATOM 614  H HA   . LEU Axp A 38  ? 88.642  130.406 16.877 1 145.252 ? 153 A 1 c
ATOM 615  H HB3  . LEU Axp A 38  ? 88.47   132.265 15.372 1 152.796 ? 153 A 1 c
ATOM 616  H HB2  . LEU Axp A 38  ? 88.779  133.245 16.581 1 152.796 ? 153 A 1 c
ATOM 617  H HG   . LEU Axp A 38  ? 86.737  132.738 17.587 1 164.897 ? 153 A 1 c
ATOM 618  H HD11 . LEU Axp A 38  ? 86.691  134.463 15.958 1 168.039 ? 153 A 1 c
ATOM 619  H HD12 . LEU Axp A 38  ? 85.28   133.75  16.089 1 168.039 ? 153 A 1 c
ATOM 620  H HD13 . LEU Axp A 38  ? 86.232  133.407 14.867 1 168.039 ? 153 A 1 c
ATOM 621  H HD21 . LEU Axp A 38  ? 86.256  130.598 17.139 1 171.941 ? 153 A 1 c
ATOM 622  H HD22 . LEU Axp A 38  ? 86.466  130.773 15.576 1 171.973 ? 153 A 1 c
ATOM 623  H HD23 . LEU Axp A 38  ? 85.166  131.36  16.273 1 172.053 ? 153 A 1 c
ATOM 624  N N    . ARG Axp A 39  ? 91.379  132.134 17.027 1 158.332 ? 154 A 1 .
ATOM 625  C CA   . ARG Axp A 39  ? 92.812  132.187 16.741 1 157.511 ? 154 A 1 .
ATOM 626  C C    . ARG Axp A 39  ? 93.498  130.893 17.179 1 143.314 ? 154 A 1 .
ATOM 627  O O    . ARG Axp A 39  ? 94.719  130.834 17.207 1 161.037 ? 154 A 1 .
ATOM 628  C CB   . ARG Axp A 39  ? 93.546  133.356 17.427 1 161.384 ? 154 A 1 .
ATOM 629  C CG   . ARG Axp A 39  ? 93.558  134.721 16.747 1 186.153 ? 154 A 1 .
ATOM 630  C CD   . ARG Axp A 39  ? 94.631  134.922 15.671 1 196.046 ? 154 A 1 .
ATOM 631  N NE   . ARG Axp A 39  ? 94.717  136.342 15.295 1 195.759 ? 154 A 1 .
ATOM 632  C CZ   . ARG Axp A 39  ? 94.315  136.9   14.151 1 166.42  ? 154 A 1 .
ATOM 633  N NH1  . ARG Axp A 39  ? 93.889  136.161 13.145 1 154.063 ? 154 A 1 .
ATOM 634  N NH2  . ARG Axp A 39  ? 94.353  138.213 14.01  1 165.996 ? 154 A 1 .
ATOM 635  H H    . ARG Axp A 39  ? 91.018  132.821 17.508 1 155.264 ? 154 A 1 c
ATOM 636  H HA   . ARG Axp A 39  ? 92.925  132.282 15.761 1 155.646 ? 154 A 1 c
ATOM 637  H HB3  . ARG Axp A 39  ? 94.479  133.087 17.564 1 165.626 ? 154 A 1 c
ATOM 638  H HB2  . ARG Axp A 39  ? 93.151  133.468 18.318 1 165.467 ? 154 A 1 c
ATOM 639  H HG3  . ARG Axp A 39  ? 93.675  135.411 17.436 1 182.304 ? 154 A 1 c
ATOM 640  H HG2  . ARG Axp A 39  ? 92.677  134.874 16.34  1 182.303 ? 154 A 1 c
ATOM 641  H HD3  . ARG Axp A 39  ? 94.412  134.386 14.882 1 193.07  ? 154 A 1 c
ATOM 642  H HD2  . ARG Axp A 39  ? 95.498  134.623 16.013 1 193.601 ? 154 A 1 c
ATOM 643  H HE   . ARG Axp A 39  ? 95.07   136.881 15.881 1 188.089 ? 154 A 1 c
ATOM 644  H HH11 . ARG Axp A 39  ? 93.182  135.641 13.251 1 158.019 ? 154 A 1 c
ATOM 645  H HH12 . ARG Axp A 39  ? 94.312  136.189 12.37  1 157.825 ? 154 A 1 c
ATOM 646  H HH21 . ARG Axp A 39  ? 95.067  138.662 14.274 1 166.29  ? 154 A 1 c
ATOM 647  H HH22 . ARG Axp A 39  ? 93.664  138.636 13.652 1 166.165 ? 154 A 1 c
ATOM 648  N N    . SER Axp A 40  ? 92.715  129.866 17.521 1 140.175 ? 155 A 1 .
ATOM 649  C CA   . SER Axp A 40  ? 93.244  128.575 17.91  1 139.27  ? 155 A 1 .
ATOM 650  C C    . SER Axp A 40  ? 92.423  127.445 17.287 1 145.108 ? 155 A 1 .
ATOM 651  O O    . SER Axp A 40  ? 92.394  126.34  17.821 1 113.348 ? 155 A 1 .
ATOM 652  C CB   . SER Axp A 40  ? 93.264  128.483 19.415 1 132.816 ? 155 A 1 .
ATOM 653  O OG   . SER Axp A 40  ? 93.543  127.157 19.839 1 139.747 ? 155 A 1 .
ATOM 654  H H    . SER Axp A 40  ? 91.811  129.984 17.55  1 141.262 ? 155 A 1 c
ATOM 655  H HA   . SER Axp A 40  ? 94.175  128.502 17.577 1 139.41  ? 155 A 1 c
ATOM 656  H HB3  . SER Axp A 40  ? 92.398  128.762 19.768 1 135.652 ? 155 A 1 c
ATOM 657  H HB2  . SER Axp A 40  ? 93.946  129.087 19.767 1 135.841 ? 155 A 1 c
ATOM 658  H HG   . SER Axp A 40  ? 93.496  127.066 20.681 0 135.86  ? 155 A 1 c
ATOM 659  N N    . GLY Axp A 41  ? 91.728  127.723 16.176 1 159.014 ? 156 A 1 .
ATOM 660  C CA   . GLY Axp A 41  ? 90.986  126.692 15.462 1 164.119 ? 156 A 1 .
ATOM 661  C C    . GLY Axp A 41  ? 89.565  126.453 15.987 1 147.664 ? 156 A 1 .
ATOM 662  O O    . GLY Axp A 41  ? 88.628  126.332 15.202 1 147.684 ? 156 A 1 .
ATOM 663  H H    . GLY Axp A 41  ? 91.724  128.574 15.844 1 156.245 ? 156 A 1 c
ATOM 664  H HA3  . GLY Axp A 41  ? 91.492  125.848 15.511 1 158.706 ? 156 A 1 c
ATOM 665  H HA2  . GLY Axp A 41  ? 90.934  126.949 14.511 1 159.02  ? 156 A 1 c
ATOM 666  N N    . ALA Axp A 42  ? 89.39   126.349 17.305 1 136.387 ? 157 A 1 .
ATOM 667  C CA   . ALA Axp A 42  ? 88.093  126.004 17.88  1 149.051 ? 157 A 1 .
ATOM 668  C C    . ALA Axp A 42  ? 87      127.046 17.608 1 144.217 ? 157 A 1 .
ATOM 669  O O    . ALA Axp A 42  ? 87.259  128.106 17.047 1 143.719 ? 157 A 1 .
ATOM 670  C CB   . ALA Axp A 42  ? 88.262  125.806 19.361 1 164.472 ? 157 A 1 .
ATOM 671  H H    . ALA Axp A 42  ? 90.096  126.492 17.867 1 142.199 ? 157 A 1 c
ATOM 672  H HA   . ALA Axp A 42  ? 87.8    125.142 17.474 1 148.303 ? 157 A 1 c
ATOM 673  H HB3  . ALA Axp A 42  ? 87.42   125.53  19.756 1 159.372 ? 157 A 1 c
ATOM 674  H HB2  . ALA Axp A 42  ? 88.55   126.639 19.771 1 159.635 ? 157 A 1 c
ATOM 675  H HB1  . ALA Axp A 42  ? 88.931  125.12  19.523 1 159.641 ? 157 A 1 c
ATOM 676  N N    . ASN Axp A 43  ? 85.77   126.737 18.058 1 141.792 ? 158 A 1 .
ATOM 677  C CA   . ASN Axp A 43  ? 84.57   127.487 17.708 1 142.31  ? 158 A 1 .
ATOM 678  C C    . ASN Axp A 43  ? 84.002  128.212 18.931 1 147.062 ? 158 A 1 .
ATOM 679  O O    . ASN Axp A 43  ? 83.799  127.625 20.001 1 150.779 ? 158 A 1 .
ATOM 680  C CB   . ASN Axp A 43  ? 83.496  126.589 17.103 1 141.795 ? 158 A 1 .
ATOM 681  C CG   . ASN Axp A 43  ? 83.983  125.805 15.905 1 164.861 ? 158 A 1 .
ATOM 682  O OD1  . ASN Axp A 43  ? 83.801  126.236 14.759 1 170.347 ? 158 A 1 .
ATOM 683  N ND2  . ASN Axp A 43  ? 84.612  124.662 16.142 1 172.032 ? 158 A 1 .
ATOM 684  H H    . ASN Axp A 43  ? 85.675  126.011 18.605 1 142.795 ? 158 A 1 c
ATOM 685  H HA   . ASN Axp A 43  ? 84.811  128.156 17.029 1 142.916 ? 158 A 1 c
ATOM 686  H HB3  . ASN Axp A 43  ? 82.732  127.138 16.837 1 146.958 ? 158 A 1 c
ATOM 687  H HB2  . ASN Axp A 43  ? 83.194  125.962 17.786 1 147.135 ? 158 A 1 c
ATOM 688  H HD21 . ASN Axp A 43  ? 84.836  124.133 15.466 1 169.659 ? 158 A 1 c
ATOM 689  H HD22 . ASN Axp A 43  ? 84.807  124.425 16.974 1 169.201 ? 158 A 1 c
ATOM 690  N N    . PHE Axp A 44  ? 83.706  129.503 18.743 1 138.012 ? 159 A 1 .
ATOM 691  C CA   . PHE Axp A 44  ? 83.241  130.358 19.823 1 132.108 ? 159 A 1 .
ATOM 692  C C    . PHE Axp A 44  ? 81.743  130.59  19.684 1 130.011 ? 159 A 1 .
ATOM 693  O O    . PHE Axp A 44  ? 81.272  130.918 18.601 1 135.288 ? 159 A 1 .
ATOM 694  C CB   . PHE Axp A 44  ? 83.94   131.721 19.812 1 132.09  ? 159 A 1 .
ATOM 695  C CG   . PHE Axp A 44  ? 83.446  132.666 20.901 1 129.42  ? 159 A 1 .
ATOM 696  C CD1  . PHE Axp A 44  ? 83.856  132.526 22.223 1 127.016 ? 159 A 1 .
ATOM 697  C CD2  . PHE Axp A 44  ? 82.564  133.693 20.602 1 131.37  ? 159 A 1 .
ATOM 698  C CE1  . PHE Axp A 44  ? 83.395  133.386 23.21  1 107.821 ? 159 A 1 .
ATOM 699  C CE2  . PHE Axp A 44  ? 82.108  134.545 21.596 1 136.476 ? 159 A 1 .
ATOM 700  C CZ   . PHE Axp A 44  ? 82.523  134.394 22.896 1 110.213 ? 159 A 1 .
ATOM 701  H H    . PHE Axp A 44  ? 83.794  129.865 17.908 1 138.8   ? 159 A 1 c
ATOM 702  H HA   . PHE Axp A 44  ? 83.423  129.911 20.691 1 133.041 ? 159 A 1 c
ATOM 703  H HB3  . PHE Axp A 44  ? 83.796  132.14  18.935 1 131.498 ? 159 A 1 c
ATOM 704  H HB2  . PHE Axp A 44  ? 84.906  131.579 19.927 1 131.562 ? 159 A 1 c
ATOM 705  H HD1  . PHE Axp A 44  ? 84.453  131.832 22.452 1 122.809 ? 159 A 1 c
ATOM 706  H HD2  . PHE Axp A 44  ? 82.269  133.809 19.713 1 131.736 ? 159 A 1 c
ATOM 707  H HE1  . PHE Axp A 44  ? 83.684  133.275 24.101 1 112.978 ? 159 A 1 c
ATOM 708  H HE2  . PHE Axp A 44  ? 81.516  135.241 21.373 1 128.755 ? 159 A 1 c
ATOM 709  H HZ   . PHE Axp A 44  ? 82.213  134.982 23.566 1 115.57  ? 159 A 1 c
ATOM 710  N N    . VAL Axp A 45  ? 81.007  130.454 20.792 1 136.529 ? 160 A 1 .
ATOM 711  C CA   . VAL Axp A 45  ? 79.583  130.739 20.781 1 128.846 ? 160 A 1 .
ATOM 712  C C    . VAL Axp A 45  ? 79.226  131.598 22     1 124.112 ? 160 A 1 .
ATOM 713  O O    . VAL Axp A 45  ? 79.486  131.245 23.151 1 106.328 ? 160 A 1 .
ATOM 714  C CB   . VAL Axp A 45  ? 78.755  129.441 20.667 1 120.535 ? 160 A 1 .
ATOM 715  C CG1  . VAL Axp A 45  ? 78.752  128.606 21.944 1 124.024 ? 160 A 1 .
ATOM 716  C CG2  . VAL Axp A 45  ? 77.337  129.742 20.219 1 123.071 ? 160 A 1 .
ATOM 717  H H    . VAL Axp A 45  ? 81.399  130.178 21.571 1 133.131 ? 160 A 1 c
ATOM 718  H HA   . VAL Axp A 45  ? 79.397  131.272 19.984 1 127.738 ? 160 A 1 c
ATOM 719  H HB   . VAL Axp A 45  ? 79.175  128.895 19.962 1 123.163 ? 160 A 1 c
ATOM 720  H HG11 . VAL Axp A 45  ? 78.085  128.955 22.559 1 123.066 ? 160 A 1 c
ATOM 721  H HG12 . VAL Axp A 45  ? 79.627  128.645 22.36  1 122.982 ? 160 A 1 c
ATOM 722  H HG13 . VAL Axp A 45  ? 78.539  127.683 21.727 1 123.001 ? 160 A 1 c
ATOM 723  H HG21 . VAL Axp A 45  ? 76.863  128.908 20.059 1 122.326 ? 160 A 1 c
ATOM 724  H HG22 . VAL Axp A 45  ? 77.359  130.263 19.399 1 122.355 ? 160 A 1 c
ATOM 725  H HG23 . VAL Axp A 45  ? 76.878  130.247 20.91  1 122.332 ? 160 A 1 c
ATOM 726  N N    . HIS Axp A 46  ? 78.627  132.759 21.718 1 118.876 ? 161 A 1 .
ATOM 727  C CA   . HIS Axp A 46  ? 78.538  133.839 22.686 1 131.178 ? 161 A 1 .
ATOM 728  C C    . HIS Axp A 46  ? 77.222  133.742 23.445 1 123.932 ? 161 A 1 .
ATOM 729  O O    . HIS Axp A 46  ? 76.149  133.841 22.853 1 133.265 ? 161 A 1 .
ATOM 730  C CB   . HIS Axp A 46  ? 78.679  135.193 21.979 1 157.404 ? 161 A 1 .
ATOM 731  C CG   . HIS Axp A 46  ? 78.226  136.38  22.772 1 164.545 ? 161 A 1 .
ATOM 732  N ND1  . HIS Axp A 46  ? 77.197  137.205 22.369 1 167.155 ? 161 A 1 .
ATOM 733  C CD2  . HIS Axp A 46  ? 78.699  136.906 23.903 1 155.866 ? 161 A 1 .
ATOM 734  C CE1  . HIS Axp A 46  ? 77.039  138.17  23.261 1 159.222 ? 161 A 1 .
ATOM 735  N NE2  . HIS Axp A 46  ? 77.937  138.003 24.204 1 157.271 ? 161 A 1 .
ATOM 736  H H    . HIS Axp A 46  ? 78.252  132.878 20.893 1 123.297 ? 161 A 1 c
ATOM 737  H HA   . HIS Axp A 46  ? 79.281  133.744 23.332 1 131.141 ? 161 A 1 c
ATOM 738  H HB3  . HIS Axp A 46  ? 78.166  135.162 21.142 1 152.322 ? 161 A 1 c
ATOM 739  H HB2  . HIS Axp A 46  ? 79.616  135.321 21.735 1 152.241 ? 161 A 1 c
ATOM 740  H HD1  . HIS Axp A 46  ? 76.731  137.107 21.608 0 138.5   ? 161 A 1 c
ATOM 741  H HD2  . HIS Axp A 46  ? 79.402  136.568 24.422 1 158.077 ? 161 A 1 c
ATOM 742  H HE1  . HIS Axp A 46  ? 76.395  138.855 23.224 1 160.523 ? 161 A 1 c
ATOM 743  H HE2  . HIS Axp A 46  ? 78.096  138.525 24.869 0 138.1   ? 161 A 1 c
ATOM 744  N N    . GLY Axp A 47  ? 77.31   133.563 24.765 1 112.324 ? 162 A 1 .
ATOM 745  C CA   . GLY Axp A 47  ? 76.101  133.504 25.564 1 115.715 ? 162 A 1 .
ATOM 746  C C    . GLY Axp A 47  ? 76.369  133.128 27.015 1 109.658 ? 162 A 1 .
ATOM 747  O O    . GLY Axp A 47  ? 77.502  133.121 27.478 1 121.777 ? 162 A 1 .
ATOM 748  H H    . GLY Axp A 47  ? 78.124  133.477 25.171 1 115.948 ? 162 A 1 c
ATOM 749  H HA3  . GLY Axp A 47  ? 75.489  132.842 25.166 1 113.741 ? 162 A 1 c
ATOM 750  H HA2  . GLY Axp A 47  ? 75.655  134.383 25.533 1 113.566 ? 162 A 1 c
ATOM 751  N N    . ASP Axp A 48  ? 75.278  132.833 27.718 1 121.787 ? 163 A 1 .
ATOM 752  C CA   . ASP Axp A 48  ? 75.295  132.544 29.137 1 115.689 ? 163 A 1 .
ATOM 753  C C    . ASP Axp A 48  ? 75.243  131.034 29.304 1 110.921 ? 163 A 1 .
ATOM 754  O O    . ASP Axp A 48  ? 74.256  130.404 28.947 1 116.928 ? 163 A 1 .
ATOM 755  C CB   . ASP Axp A 48  ? 74.131  133.211 29.853 1 120.679 ? 163 A 1 .
ATOM 756  C CG   . ASP Axp A 48  ? 74.209  133.2   31.37  1 114.655 ? 163 A 1 .
ATOM 757  O OD1  . ASP Axp A 48  ? 75.09   132.479 31.908 1 97.092  ? 163 A 1 .
ATOM 758  O OD2  . ASP Axp A 48  ? 73.418  133.948 31.986 1 107.36  ? 163 A 1 .
ATOM 759  H H    . ASP Axp A 48  ? 74.473  132.812 27.284 1 117.366 ? 163 A 1 c
ATOM 760  H HA   . ASP Axp A 48  ? 76.129  132.892 29.517 1 116.933 ? 163 A 1 c
ATOM 761  H HB3  . ASP Axp A 48  ? 73.298  132.77  29.587 1 118.093 ? 163 A 1 c
ATOM 762  H HB2  . ASP Axp A 48  ? 74.081  134.145 29.56  1 118.116 ? 163 A 1 c
ATOM 763  N N    . PRO Axp A 49  ? 76.307  130.414 29.848 1 116.974 ? 164 A 1 .
ATOM 764  C CA   . PRO Axp A 49  ? 76.35   128.968 30.026 1 116.431 ? 164 A 1 .
ATOM 765  C C    . PRO Axp A 49  ? 75.385  128.406 31.073 1 111.417 ? 164 A 1 .
ATOM 766  O O    . PRO Axp A 49  ? 75.432  127.207 31.337 1 101.257 ? 164 A 1 .
ATOM 767  C CB   . PRO Axp A 49  ? 77.798  128.709 30.404 1 121.421 ? 164 A 1 .
ATOM 768  C CG   . PRO Axp A 49  ? 78.221  130.02  31.03  1 137.676 ? 164 A 1 .
ATOM 769  C CD   . PRO Axp A 49  ? 77.551  131.079 30.247 1 132.283 ? 164 A 1 .
ATOM 770  H HA   . PRO Axp A 49  ? 76.167  128.538 29.166 1 116.604 ? 164 A 1 c
ATOM 771  H HB3  . PRO Axp A 49  ? 78.336  128.507 29.614 1 123.722 ? 164 A 1 c
ATOM 772  H HB2  . PRO Axp A 49  ? 77.872  127.973 31.042 1 123.543 ? 164 A 1 c
ATOM 773  H HG3  . PRO Axp A 49  ? 79.192  130.127 30.987 1 132.602 ? 164 A 1 c
ATOM 774  H HG2  . PRO Axp A 49  ? 77.943  130.061 31.967 1 132.602 ? 164 A 1 c
ATOM 775  H HD3  . PRO Axp A 49  ? 77.371  131.865 30.797 1 129.358 ? 164 A 1 c
ATOM 776  H HD2  . PRO Axp A 49  ? 78.077  131.338 29.466 1 129.661 ? 164 A 1 c
ATOM 777  N N    . THR Axp A 50  ? 74.499  129.245 31.641 1 109.554 ? 165 A 1 .
ATOM 778  C CA   . THR Axp A 50  ? 73.393  128.752 32.464 1 117.783 ? 165 A 1 .
ATOM 779  C C    . THR Axp A 50  ? 72.067  128.758 31.709 1 104.617 ? 165 A 1 .
ATOM 780  O O    . THR Axp A 50  ? 71.151  128.033 32.087 1 92.936  ? 165 A 1 .
ATOM 781  C CB   . THR Axp A 50  ? 73.241  129.545 33.759 1 114.332 ? 165 A 1 .
ATOM 782  O OG1  . THR Axp A 50  ? 73.305  130.92  33.397 1 144.025 ? 165 A 1 .
ATOM 783  C CG2  . THR Axp A 50  ? 74.324  129.192 34.755 1 109.042 ? 165 A 1 .
ATOM 784  H H    . THR Axp A 50  ? 74.602  130.147 31.543 1 111.846 ? 165 A 1 c
ATOM 785  H HA   . THR Axp A 50  ? 73.594  127.823 32.708 1 112.881 ? 165 A 1 c
ATOM 786  H HB   . THR Axp A 50  ? 72.361  129.355 34.163 1 119.14  ? 165 A 1 c
ATOM 787  H HG1  . THR Axp A 50  ? 74.047  131.115 32.974 0 134.9   ? 165 A 1 c
ATOM 788  H HG21 . THR Axp A 50  ? 74.162  129.66  35.591 1 110.6   ? 165 A 1 c
ATOM 789  H HG22 . THR Axp A 50  ? 75.19   129.454 34.4   1 110.6   ? 165 A 1 c
ATOM 790  H HG23 . THR Axp A 50  ? 74.318  128.233 34.916 1 110.649 ? 165 A 1 c
ATOM 791  N N    . ARG Axp A 51  ? 71.958  129.583 30.667 1 108.656 ? 166 A 1 .
ATOM 792  C CA   . ARG Axp A 51  ? 70.773  129.577 29.827 1 120.5   ? 166 A 1 .
ATOM 793  C C    . ARG Axp A 51  ? 70.739  128.297 28.99  1 121.006 ? 166 A 1 .
ATOM 794  O O    . ARG Axp A 51  ? 71.652  128.002 28.208 1 90.012  ? 166 A 1 .
ATOM 795  C CB   . ARG Axp A 51  ? 70.674  130.855 28.984 1 122.6   ? 166 A 1 .
ATOM 796  C CG   . ARG Axp A 51  ? 69.557  131.769 29.468 1 114.554 ? 166 A 1 .
ATOM 797  C CD   . ARG Axp A 51  ? 69.501  133.135 28.784 1 115.859 ? 166 A 1 .
ATOM 798  N NE   . ARG Axp A 51  ? 70.127  134.211 29.561 1 115.165 ? 166 A 1 .
ATOM 799  C CZ   . ARG Axp A 51  ? 69.574  134.755 30.647 1 151.409 ? 166 A 1 .
ATOM 800  N NH1  . ARG Axp A 51  ? 68.394  134.342 31.089 1 177.736 ? 166 A 1 .
ATOM 801  N NH2  . ARG Axp A 51  ? 70.205  135.712 31.302 1 154.787 ? 166 A 1 .
ATOM 802  H H    . ARG Axp A 51  ? 72.633  130.168 30.476 1 110.439 ? 166 A 1 c
ATOM 803  H HA   . ARG Axp A 51  ? 69.985  129.57  30.426 1 118.353 ? 166 A 1 c
ATOM 804  H HB3  . ARG Axp A 51  ? 70.503  130.61  28.051 1 120.207 ? 166 A 1 c
ATOM 805  H HB2  . ARG Axp A 51  ? 71.525  131.34  29.02  1 120.076 ? 166 A 1 c
ATOM 806  H HG3  . ARG Axp A 51  ? 69.664  131.908 30.434 1 117.077 ? 166 A 1 c
ATOM 807  H HG2  . ARG Axp A 51  ? 68.703  131.317 29.34  1 116.736 ? 166 A 1 c
ATOM 808  H HD3  . ARG Axp A 51  ? 68.565  133.365 28.617 1 115.675 ? 166 A 1 c
ATOM 809  H HD2  . ARG Axp A 51  ? 69.948  133.069 27.915 1 115.49  ? 166 A 1 c
ATOM 810  H HE   . ARG Axp A 51  ? 70.902  134.512 29.301 1 123.296 ? 166 A 1 c
ATOM 811  H HH11 . ARG Axp A 51  ? 68.332  133.575 31.525 1 168.671 ? 166 A 1 c
ATOM 812  H HH12 . ARG Axp A 51  ? 67.674  134.834 30.944 1 169.054 ? 166 A 1 c
ATOM 813  H HH21 . ARG Axp A 51  ? 70.976  135.539 31.698 1 153.74  ? 166 A 1 c
ATOM 814  H HH22 . ARG Axp A 51  ? 69.853  136.522 31.342 1 153.74  ? 166 A 1 c
ATOM 815  N N    . VAL Axp A 52  ? 69.651  127.548 29.188 1 121.095 ? 167 A 1 .
ATOM 816  C CA   . VAL Axp A 52  ? 69.403  126.313 28.469 1 126.721 ? 167 A 1 .
ATOM 817  C C    . VAL Axp A 52  ? 69.512  126.56  26.968 1 115.407 ? 167 A 1 .
ATOM 818  O O    . VAL Axp A 52  ? 70.274  125.874 26.286 1 105.618 ? 167 A 1 .
ATOM 819  C CB   . VAL Axp A 52  ? 68.039  125.699 28.834 1 147.856 ? 167 A 1 .
ATOM 820  C CG1  . VAL Axp A 52  ? 68.212  124.412 29.621 1 147.467 ? 167 A 1 .
ATOM 821  C CG2  . VAL Axp A 52  ? 67.101  126.671 29.552 1 159.088 ? 167 A 1 .
ATOM 822  H H    . VAL Axp A 52  ? 69.048  127.818 29.818 1 123.249 ? 167 A 1 c
ATOM 823  H HA   . VAL Axp A 52  ? 70.1    125.677 28.721 1 127.076 ? 167 A 1 c
ATOM 824  H HB   . VAL Axp A 52  ? 67.6    125.456 27.985 1 145.388 ? 167 A 1 c
ATOM 825  H HG11 . VAL Axp A 52  ? 68.711  124.594 30.436 1 147.546 ? 167 A 1 c
ATOM 826  H HG12 . VAL Axp A 52  ? 68.698  123.765 29.083 1 147.433 ? 167 A 1 c
ATOM 827  H HG13 . VAL Axp A 52  ? 67.339  124.051 29.851 1 147.546 ? 167 A 1 c
ATOM 828  H HG21 . VAL Axp A 52  ? 66.212  126.281 29.603 1 155.363 ? 167 A 1 c
ATOM 829  H HG22 . VAL Axp A 52  ? 67.056  127.504 29.062 1 154.716 ? 167 A 1 c
ATOM 830  H HG23 . VAL Axp A 52  ? 67.428  126.838 30.452 1 154.94  ? 167 A 1 c
ATOM 831  N N    . SER Axp A 53  ? 68.728  127.524 26.474 1 110.454 ? 168 A 1 .
ATOM 832  C CA   . SER Axp A 53  ? 68.728  127.897 25.071 1 121.873 ? 168 A 1 .
ATOM 833  C C    . SER Axp A 53  ? 70.139  127.85  24.51  1 127.733 ? 168 A 1 .
ATOM 834  O O    . SER Axp A 53  ? 70.362  127.32  23.422 1 139.932 ? 168 A 1 .
ATOM 835  C CB   . SER Axp A 53  ? 68.158  129.277 24.888 1 138.379 ? 168 A 1 .
ATOM 836  O OG   . SER Axp A 53  ? 68.849  130.237 25.677 1 125.374 ? 168 A 1 .
ATOM 837  H H    . SER Axp A 53  ? 68.165  127.968 27.041 1 114.82  ? 168 A 1 c
ATOM 838  H HA   . SER Axp A 53  ? 68.167  127.25  24.572 1 123.466 ? 168 A 1 c
ATOM 839  H HB3  . SER Axp A 53  ? 67.215  129.271 25.14  1 131.317 ? 168 A 1 c
ATOM 840  H HB2  . SER Axp A 53  ? 68.219  129.528 23.947 1 131.302 ? 168 A 1 c
ATOM 841  H HG   . SER Axp A 53  ? 68.417  130.802 25.612 0 131.51  ? 168 A 1 c
ATOM 842  N N    . ASP Axp A 54  ? 71.061  128.418 25.297 1 142.043 ? 169 A 1 .
ATOM 843  C CA   . ASP Axp A 54  ? 72.425  128.706 24.884 1 147.33  ? 169 A 1 .
ATOM 844  C C    . ASP Axp A 54  ? 73.25   127.423 24.783 1 135.566 ? 169 A 1 .
ATOM 845  O O    . ASP Axp A 54  ? 73.988  127.222 23.822 1 105.433 ? 169 A 1 .
ATOM 846  C CB   . ASP Axp A 54  ? 73.033  129.719 25.84  1 138.371 ? 169 A 1 .
ATOM 847  C CG   . ASP Axp A 54  ? 72.35   131.081 25.852 1 128.103 ? 169 A 1 .
ATOM 848  O OD1  . ASP Axp A 54  ? 71.102  131.135 25.747 1 113.823 ? 169 A 1 .
ATOM 849  O OD2  . ASP Axp A 54  ? 73.069  132.085 25.972 1 122.329 ? 169 A 1 .
ATOM 850  H H    . ASP Axp A 54  ? 70.816  128.658 26.144 1 138.937 ? 169 A 1 c
ATOM 851  H HA   . ASP Axp A 54  ? 72.392  129.123 23.993 1 142.329 ? 169 A 1 c
ATOM 852  H HB3  . ASP Axp A 54  ? 73.971  129.853 25.592 1 137.737 ? 169 A 1 c
ATOM 853  H HB2  . ASP Axp A 54  ? 73.015  129.357 26.749 1 137.509 ? 169 A 1 c
ATOM 854  N N    . LEU Axp A 55  ? 73.141  126.557 25.791 1 135.034 ? 170 A 1 .
ATOM 855  C CA   . LEU Axp A 55  ? 73.842  125.284 25.76  1 123.617 ? 170 A 1 .
ATOM 856  C C    . LEU Axp A 55  ? 73.455  124.517 24.499 1 112.578 ? 170 A 1 .
ATOM 857  O O    . LEU Axp A 55  ? 74.293  123.864 23.88  1 107.356 ? 170 A 1 .
ATOM 858  C CB   . LEU Axp A 55  ? 73.513  124.484 27.016 1 117.175 ? 170 A 1 .
ATOM 859  C CG   . LEU Axp A 55  ? 74.001  125.071 28.344 1 127.068 ? 170 A 1 .
ATOM 860  C CD1  . LEU Axp A 55  ? 73.489  124.201 29.473 1 136.237 ? 170 A 1 .
ATOM 861  C CD2  . LEU Axp A 55  ? 75.515  125.193 28.419 1 131.46  ? 170 A 1 .
ATOM 862  H H    . LEU Axp A 55  ? 72.619  126.761 26.513 1 132.474 ? 170 A 1 c
ATOM 863  H HA   . LEU Axp A 55  ? 74.814  125.465 25.731 1 122.53  ? 170 A 1 c
ATOM 864  H HB3  . LEU Axp A 55  ? 73.894  123.583 26.916 1 121.104 ? 170 A 1 c
ATOM 865  H HB2  . LEU Axp A 55  ? 72.535  124.382 27.065 1 120.954 ? 170 A 1 c
ATOM 866  H HG   . LEU Axp A 55  ? 73.611  125.976 28.448 1 127.664 ? 170 A 1 c
ATOM 867  H HD11 . LEU Axp A 55  ? 72.541  124.368 29.607 1 133.349 ? 170 A 1 c
ATOM 868  H HD12 . LEU Axp A 55  ? 73.972  124.41  30.29  1 133.323 ? 170 A 1 c
ATOM 869  H HD13 . LEU Axp A 55  ? 73.623  123.265 29.249 1 133.045 ? 170 A 1 c
ATOM 870  H HD21 . LEU Axp A 55  ? 75.833  125.744 27.687 1 129.963 ? 170 A 1 c
ATOM 871  H HD22 . LEU Axp A 55  ? 75.915  124.31  28.355 1 130.075 ? 170 A 1 c
ATOM 872  H HD23 . LEU Axp A 55  ? 75.767  125.601 29.263 1 129.953 ? 170 A 1 c
ATOM 873  N N    . GLU Axp A 56  ? 72.176  124.609 24.125 1 102.518 ? 171 A 1 .
ATOM 874  C CA   . GLU Axp A 56  ? 71.692  123.927 22.938 1 127.379 ? 171 A 1 .
ATOM 875  C C    . GLU Axp A 56  ? 72.343  124.508 21.691 1 125.631 ? 171 A 1 .
ATOM 876  O O    . GLU Axp A 56  ? 72.808  123.752 20.833 1 131.912 ? 171 A 1 .
ATOM 877  C CB   . GLU Axp A 56  ? 70.173  124.007 22.852 1 138.688 ? 171 A 1 .
ATOM 878  C CG   . GLU Axp A 56  ? 69.514  122.911 23.678 1 142.95  ? 171 A 1 .
ATOM 879  C CD   . GLU Axp A 56  ? 68.252  123.367 24.368 1 142.533 ? 171 A 1 .
ATOM 880  O OE1  . GLU Axp A 56  ? 68.347  124.242 25.244 1 149.908 ? 171 A 1 .
ATOM 881  O OE2  . GLU Axp A 56  ? 67.178  122.862 24.014 1 150.166 ? 171 A 1 .
ATOM 882  H H    . GLU Axp A 56  ? 71.588  125.096 24.628 1 110.832 ? 171 A 1 c
ATOM 883  H HA   . GLU Axp A 56  ? 71.951  122.973 23.005 1 123.795 ? 171 A 1 c
ATOM 884  H HB3  . GLU Axp A 56  ? 69.9    123.915 21.915 1 136.88  ? 171 A 1 c
ATOM 885  H HB2  . GLU Axp A 56  ? 69.878  124.886 23.165 1 136.853 ? 171 A 1 c
ATOM 886  H HG3  . GLU Axp A 56  ? 70.145  122.595 24.359 1 141.681 ? 171 A 1 c
ATOM 887  H HG2  . GLU Axp A 56  ? 69.297  122.154 23.094 1 141.888 ? 171 A 1 c
ATOM 888  N N    . LYS Axp A 57  ? 72.366  125.845 21.617 1 116.091 ? 172 A 1 .
ATOM 889  C CA   . LYS Axp A 57  ? 73.044  126.542 20.535 1 125.114 ? 172 A 1 .
ATOM 890  C C    . LYS Axp A 57  ? 74.527  126.159 20.529 1 126.28  ? 172 A 1 .
ATOM 891  O O    . LYS Axp A 57  ? 75.191  126.245 19.492 1 100.448 ? 172 A 1 .
ATOM 892  C CB   . LYS Axp A 57  ? 72.844  128.061 20.62  1 119.482 ? 172 A 1 .
ATOM 893  C CG   . LYS Axp A 57  ? 73.463  128.782 19.422 1 141.564 ? 172 A 1 .
ATOM 894  C CD   . LYS Axp A 57  ? 73.173  130.26  19.199 1 166.763 ? 172 A 1 .
ATOM 895  C CE   . LYS Axp A 57  ? 73.932  130.732 17.98  1 173.653 ? 172 A 1 .
ATOM 896  N NZ   . LYS Axp A 57  ? 73.607  132.095 17.55  1 184.883 ? 172 A 1 .
ATOM 897  H H    . LYS Axp A 57  ? 71.939  126.338 22.257 1 120.224 ? 172 A 1 c
ATOM 898  H HA   . LYS Axp A 57  ? 72.646  126.234 19.682 1 122.582 ? 172 A 1 c
ATOM 899  H HB3  . LYS Axp A 57  ? 73.257  128.399 21.444 1 125.486 ? 172 A 1 c
ATOM 900  H HB2  . LYS Axp A 57  ? 71.885  128.263 20.653 1 125.486 ? 172 A 1 c
ATOM 901  H HG3  . LYS Axp A 57  ? 73.189  128.296 18.614 1 141.403 ? 172 A 1 c
ATOM 902  H HG2  . LYS Axp A 57  ? 74.437  128.679 19.489 1 141.209 ? 172 A 1 c
ATOM 903  H HD3  . LYS Axp A 57  ? 73.457  130.778 19.984 1 162.195 ? 172 A 1 c
ATOM 904  H HD2  . LYS Axp A 57  ? 72.21   130.393 19.058 1 162.195 ? 172 A 1 c
ATOM 905  H HE3  . LYS Axp A 57  ? 73.751  130.125 17.241 1 174.205 ? 172 A 1 c
ATOM 906  H HE2  . LYS Axp A 57  ? 74.887  130.688 18.169 1 174.56  ? 172 A 1 c
ATOM 907  H HZ1  . LYS Axp A 57  ? 73.835  132.684 18.2   1 181.352 ? 172 A 1 c
ATOM 908  H HZ2  . LYS Axp A 57  ? 72.717  132.161 17.389 1 181.352 ? 172 A 1 c
ATOM 909  H HZ3  . LYS Axp A 57  ? 74.062  132.295 16.794 1 181.352 ? 172 A 1 c
ATOM 910  N N    . ALA Axp A 58  ? 75.033  125.727 21.695 1 125.031 ? 173 A 1 .
ATOM 911  C CA   . ALA Axp A 58  ? 76.42   125.322 21.844 1 130.43  ? 173 A 1 .
ATOM 912  C C    . ALA Axp A 58  ? 76.591  123.83  21.551 1 135.866 ? 173 A 1 .
ATOM 913  O O    . ALA Axp A 58  ? 77.639  123.259 21.855 1 131.329 ? 173 A 1 .
ATOM 914  C CB   . ALA Axp A 58  ? 76.892  125.679 23.239 1 124.483 ? 173 A 1 .
ATOM 915  H H    . ALA Axp A 58  ? 74.498  125.718 22.435 1 126.326 ? 173 A 1 c
ATOM 916  H HA   . ALA Axp A 58  ? 76.965  125.83  21.182 1 129.014 ? 173 A 1 c
ATOM 917  H HB3  . ALA Axp A 58  ? 77.862  125.735 23.251 1 126.166 ? 173 A 1 c
ATOM 918  H HB2  . ALA Axp A 58  ? 76.603  124.997 23.868 1 126.115 ? 173 A 1 c
ATOM 919  H HB1  . ALA Axp A 58  ? 76.518  126.537 23.501 1 126.065 ? 173 A 1 c
ATOM 920  N N    . ASN Axp A 59  ? 75.561  123.211 20.954 1 132.642 ? 174 A 1 .
ATOM 921  C CA   . ASN Axp A 59  ? 75.612  121.822 20.52  1 143.73  ? 174 A 1 .
ATOM 922  C C    . ASN Axp A 59  ? 75.955  120.89  21.673 1 138.877 ? 174 A 1 .
ATOM 923  O O    . ASN Axp A 59  ? 76.495  119.803 21.463 1 131.451 ? 174 A 1 .
ATOM 924  C CB   . ASN Axp A 59  ? 76.653  121.576 19.438 1 136.575 ? 174 A 1 .
ATOM 925  C CG   . ASN Axp A 59  ? 76.635  122.683 18.425 1 137.236 ? 174 A 1 .
ATOM 926  O OD1  . ASN Axp A 59  ? 75.55   123.132 18.036 1 139.659 ? 174 A 1 .
ATOM 927  N ND2  . ASN Axp A 59  ? 77.814  123.158 18.048 1 135.578 ? 174 A 1 .
ATOM 928  H H    . ASN Axp A 59  ? 74.787  123.674 20.812 1 135.595 ? 174 A 1 c
ATOM 929  H HA   . ASN Axp A 59  ? 74.732  121.573 20.157 1 139.297 ? 174 A 1 c
ATOM 930  H HB3  . ASN Axp A 59  ? 76.466  120.726 18.992 1 138.262 ? 174 A 1 c
ATOM 931  H HB2  . ASN Axp A 59  ? 77.542  121.522 19.843 1 138.219 ? 174 A 1 c
ATOM 932  H HD21 . ASN Axp A 59  ? 78.015  123.209 17.186 1 136.086 ? 174 A 1 c
ATOM 933  H HD22 . ASN Axp A 59  ? 78.399  123.424 18.659 1 136.086 ? 174 A 1 c
ATOM 934  N N    . VAL Axp A 60  ? 75.612  121.299 22.889 1 125.082 ? 175 A 1 .
ATOM 935  C CA   . VAL Axp A 60  ? 75.748  120.396 24.008 1 135.897 ? 175 A 1 .
ATOM 936  C C    . VAL Axp A 60  ? 75.105  119.064 23.633 1 148.756 ? 175 A 1 .
ATOM 937  O O    . VAL Axp A 60  ? 75.542  118.01  24.098 1 129.852 ? 175 A 1 .
ATOM 938  C CB   . VAL Axp A 60  ? 75.1    121.031 25.247 1 147.508 ? 175 A 1 .
ATOM 939  C CG1  . VAL Axp A 60  ? 74.718  119.98  26.279 1 153.283 ? 175 A 1 .
ATOM 940  C CG2  . VAL Axp A 60  ? 75.999  122.102 25.845 1 139.784 ? 175 A 1 .
ATOM 941  H H    . VAL Axp A 60  ? 75.276  122.137 23.025 1 131.006 ? 175 A 1 c
ATOM 942  H HA   . VAL Axp A 60  ? 76.699  120.253 24.183 1 138.027 ? 175 A 1 c
ATOM 943  H HB   . VAL Axp A 60  ? 74.268  121.468 24.949 1 144.42  ? 175 A 1 c
ATOM 944  H HG11 . VAL Axp A 60  ? 75.496  119.439 26.498 1 151.451 ? 175 A 1 c
ATOM 945  H HG12 . VAL Axp A 60  ? 74.016  119.41  25.923 1 151.448 ? 175 A 1 c
ATOM 946  H HG13 . VAL Axp A 60  ? 74.394  120.42  27.082 1 151.17  ? 175 A 1 c
ATOM 947  H HG21 . VAL Axp A 60  ? 75.643  122.385 26.703 1 141.681 ? 175 A 1 c
ATOM 948  H HG22 . VAL Axp A 60  ? 76.042  122.865 25.245 1 141.687 ? 175 A 1 c
ATOM 949  H HG23 . VAL Axp A 60  ? 76.893  121.742 25.971 1 141.866 ? 175 A 1 c
ATOM 950  N N    . ARG Axp A 61  ? 74.061  119.135 22.789 1 167.011 ? 176 A 1 .
ATOM 951  C CA   . ARG Axp A 61  ? 73.386  117.94  22.309 1 176.676 ? 176 A 1 .
ATOM 952  C C    . ARG Axp A 61  ? 74.373  117.069 21.527 1 155.819 ? 176 A 1 .
ATOM 953  O O    . ARG Axp A 61  ? 74.9    117.483 20.492 1 131.8   ? 176 A 1 .
ATOM 954  C CB   . ARG Axp A 61  ? 72.138  118.239 21.463 1 180.525 ? 176 A 1 .
ATOM 955  C CG   . ARG Axp A 61  ? 71.209  117.031 21.499 1 186.767 ? 176 A 1 .
ATOM 956  C CD   . ARG Axp A 61  ? 70.05   116.959 20.507 1 189.82  ? 176 A 1 .
ATOM 957  N NE   . ARG Axp A 61  ? 69.346  115.681 20.698 1 198.378 ? 176 A 1 .
ATOM 958  C CZ   . ARG Axp A 61  ? 68.387  115.161 19.929 1 182.075 ? 176 A 1 .
ATOM 959  N NH1  . ARG Axp A 61  ? 67.976  115.798 18.848 1 176.169 ? 176 A 1 .
ATOM 960  N NH2  . ARG Axp A 61  ? 67.844  113.994 20.241 1 168.749 ? 176 A 1 .
ATOM 961  H H    . ARG Axp A 61  ? 73.741  119.951 22.532 1 164.014 ? 176 A 1 c
ATOM 962  H HA   . ARG Axp A 61  ? 73.086  117.429 23.103 1 171.037 ? 176 A 1 c
ATOM 963  H HB3  . ARG Axp A 61  ? 72.397  118.428 20.536 1 180.575 ? 176 A 1 c
ATOM 964  H HB2  . ARG Axp A 61  ? 71.671  119.024 21.822 1 180.843 ? 176 A 1 c
ATOM 965  H HG3  . ARG Axp A 61  ? 70.834  116.967 22.405 1 185.904 ? 176 A 1 c
ATOM 966  H HG2  . ARG Axp A 61  ? 71.755  116.224 21.38  1 185.784 ? 176 A 1 c
ATOM 967  H HD3  . ARG Axp A 61  ? 70.387  117.014 19.59  1 191.11  ? 176 A 1 c
ATOM 968  H HD2  . ARG Axp A 61  ? 69.43   117.701 20.658 1 191.11  ? 176 A 1 c
ATOM 969  H HE   . ARG Axp A 61  ? 69.576  115.205 21.391 1 191.995 ? 176 A 1 c
ATOM 970  H HH11 . ARG Axp A 61  ? 68.555  116.005 18.214 1 178.028 ? 176 A 1 c
ATOM 971  H HH12 . ARG Axp A 61  ? 67.123  116.014 18.764 1 177.98  ? 176 A 1 c
ATOM 972  H HH21 . ARG Axp A 61  ? 67.66   113.806 21.085 1 172.888 ? 176 A 1 c
ATOM 973  H HH22 . ARG Axp A 61  ? 67.666  113.408 19.603 1 172.778 ? 176 A 1 c
ATOM 974  N N    . GLY Axp A 62  ? 74.618  115.863 22.061 1 144.66  ? 177 A 1 .
ATOM 975  C CA   . GLY Axp A 62  ? 75.341  114.816 21.361 1 149.353 ? 177 A 1 .
ATOM 976  C C    . GLY Axp A 62  ? 76.826  114.794 21.71  1 146.471 ? 177 A 1 .
ATOM 977  O O    . GLY Axp A 62  ? 77.549  113.94  21.213 1 131.62  ? 177 A 1 .
ATOM 978  H H    . GLY Axp A 62  ? 74.321  115.69  22.908 1 148.688 ? 177 A 1 c
ATOM 979  H HA3  . GLY Axp A 62  ? 75.236  114.946 20.389 1 147.53  ? 177 A 1 c
ATOM 980  H HA2  . GLY Axp A 62  ? 74.94   113.945 21.592 1 147.567 ? 177 A 1 c
ATOM 981  N N    . ALA Axp A 63  ? 77.272  115.705 22.583 1 152.95  ? 178 A 1 .
ATOM 982  C CA   . ALA Axp A 63  ? 78.693  115.976 22.755 1 164.638 ? 178 A 1 .
ATOM 983  C C    . ALA Axp A 63  ? 79.464  114.741 23.219 1 158.401 ? 178 A 1 .
ATOM 984  O O    . ALA Axp A 63  ? 79.016  114.032 24.117 1 154.182 ? 178 A 1 .
ATOM 985  C CB   . ALA Axp A 63  ? 78.881  117.12  23.727 1 182.049 ? 178 A 1 .
ATOM 986  H H    . ALA Axp A 63  ? 76.672  116.167 23.095 1 154.158 ? 178 A 1 c
ATOM 987  H HA   . ALA Axp A 63  ? 79.059  116.248 21.871 1 164.042 ? 178 A 1 c
ATOM 988  H HB3  . ALA Axp A 63  ? 79.806  117.151 24.021 1 176.021 ? 178 A 1 c
ATOM 989  H HB2  . ALA Axp A 63  ? 78.303  116.996 24.497 1 176.05  ? 178 A 1 c
ATOM 990  H HB1  . ALA Axp A 63  ? 78.656  117.959 23.291 1 176.446 ? 178 A 1 c
ATOM 991  N N    . ARG Axp A 64  ? 80.648  114.534 22.615 1 159.474 ? 179 A 1 .
ATOM 992  C CA   . ARG Axp A 64  ? 81.635  113.569 23.082 1 148.938 ? 179 A 1 .
ATOM 993  C C    . ARG Axp A 64  ? 81.849  113.783 24.579 1 138.303 ? 179 A 1 .
ATOM 994  O O    . ARG Axp A 64  ? 82.036  112.824 25.327 1 123.434 ? 179 A 1 .
ATOM 995  C CB   . ARG Axp A 64  ? 82.945  113.747 22.301 1 162.017 ? 179 A 1 .
ATOM 996  C CG   . ARG Axp A 64  ? 83.928  112.584 22.3   1 167.185 ? 179 A 1 .
ATOM 997  C CD   . ARG Axp A 64  ? 85.084  112.864 21.344 1 177.263 ? 179 A 1 .
ATOM 998  N NE   . ARG Axp A 64  ? 85.566  111.634 20.703 1 201.033 ? 179 A 1 .
ATOM 999  C CZ   . ARG Axp A 64  ? 86.225  111.578 19.548 1 203.541 ? 179 A 1 .
ATOM 1000 N NH1  . ARG Axp A 64  ? 86.517  112.686 18.89  1 200.897 ? 179 A 1 .
ATOM 1001 N NH2  . ARG Axp A 64  ? 86.571  110.409 19.038 1 199.577 ? 179 A 1 .
ATOM 1002 H H    . ARG Axp A 64  ? 80.846  115.028 21.873 1 156.961 ? 179 A 1 c
ATOM 1003 H HA   . ARG Axp A 64  ? 81.281  112.656 22.933 1 151.186 ? 179 A 1 c
ATOM 1004 H HB3  . ARG Axp A 64  ? 83.406  114.536 22.659 1 160.005 ? 179 A 1 c
ATOM 1005 H HB2  . ARG Axp A 64  ? 82.714  113.945 21.373 1 160.285 ? 179 A 1 c
ATOM 1006 H HG3  . ARG Axp A 64  ? 83.466  111.764 22.021 1 168.57  ? 179 A 1 c
ATOM 1007 H HG2  . ARG Axp A 64  ? 84.282  112.451 23.207 1 168.287 ? 179 A 1 c
ATOM 1008 H HD3  . ARG Axp A 64  ? 85.819  113.278 21.841 1 180.228 ? 179 A 1 c
ATOM 1009 H HD2  . ARG Axp A 64  ? 84.793  113.495 20.654 1 180.216 ? 179 A 1 c
ATOM 1010 H HE   . ARG Axp A 64  ? 85.414  110.879 21.11  1 195.481 ? 179 A 1 c
ATOM 1011 H HH11 . ARG Axp A 64  ? 86.809  113.396 19.327 1 201.529 ? 179 A 1 c
ATOM 1012 H HH12 . ARG Axp A 64  ? 86.43   112.711 18.01  1 201.603 ? 179 A 1 c
ATOM 1013 H HH21 . ARG Axp A 64  ? 86.019  109.721 19.101 1 200.747 ? 179 A 1 c
ATOM 1014 H HH22 . ARG Axp A 64  ? 87.353  110.319 18.635 1 200.779 ? 179 A 1 c
ATOM 1015 N N    . ALA Axp A 65  ? 81.83   115.063 24.987 1 136.402 ? 180 A 1 .
ATOM 1016 C CA   . ALA Axp A 65  ? 81.802  115.458 26.389 1 132.757 ? 180 A 1 .
ATOM 1017 C C    . ALA Axp A 65  ? 81.667  116.977 26.522 1 127.702 ? 180 A 1 .
ATOM 1018 O O    . ALA Axp A 65  ? 81.793  117.73  25.543 1 115.714 ? 180 A 1 .
ATOM 1019 C CB   . ALA Axp A 65  ? 83.04   114.959 27.108 1 127.683 ? 180 A 1 .
ATOM 1020 H H    . ALA Axp A 65  ? 81.855  115.723 24.355 1 136.31  ? 180 A 1 c
ATOM 1021 H HA   . ALA Axp A 65  ? 80.999  115.041 26.808 1 131.575 ? 180 A 1 c
ATOM 1022 H HB3  . ALA Axp A 65  ? 83.224  115.522 27.879 1 129.038 ? 180 A 1 c
ATOM 1023 H HB2  . ALA Axp A 65  ? 83.801  114.985 26.504 1 129.167 ? 180 A 1 c
ATOM 1024 H HB1  . ALA Axp A 65  ? 82.9    114.046 27.408 1 129.097 ? 180 A 1 c
ATOM 1025 N N    . VAL Axp A 66  ? 81.432  117.413 27.77  1 119.087 ? 181 A 1 .
ATOM 1026 C CA   . VAL Axp A 66  ? 81.316  118.829 28.082 1 119.648 ? 181 A 1 .
ATOM 1027 C C    . VAL Axp A 66  ? 82.087  119.203 29.359 1 122.677 ? 181 A 1 .
ATOM 1028 O O    . VAL Axp A 66  ? 81.948  118.57  30.425 1 88.375  ? 181 A 1 .
ATOM 1029 C CB   . VAL Axp A 66  ? 79.826  119.2   28.152 1 109.718 ? 181 A 1 .
ATOM 1030 C CG1  . VAL Axp A 66  ? 79.561  120.293 29.177 1 117.129 ? 181 A 1 .
ATOM 1031 C CG2  . VAL Axp A 66  ? 79.281  119.576 26.776 1 105.891 ? 181 A 1 .
ATOM 1032 H H    . VAL Axp A 66  ? 81.338  116.805 28.447 1 121.383 ? 181 A 1 c
ATOM 1033 H HA   . VAL Axp A 66  ? 81.71   119.324 27.343 1 117.806 ? 181 A 1 c
ATOM 1034 H HB   . VAL Axp A 66  ? 79.342  118.394 28.45  1 112.169 ? 181 A 1 c
ATOM 1035 H HG11 . VAL Axp A 66  ? 80.244  120.982 29.107 1 114.972 ? 181 A 1 c
ATOM 1036 H HG12 . VAL Axp A 66  ? 79.573  119.913 30.072 1 114.969 ? 181 A 1 c
ATOM 1037 H HG13 . VAL Axp A 66  ? 78.692  120.687 29.008 1 115.013 ? 181 A 1 c
ATOM 1038 H HG21 . VAL Axp A 66  ? 78.346  119.316 26.715 1 107.181 ? 181 A 1 c
ATOM 1039 H HG22 . VAL Axp A 66  ? 79.787  119.119 26.085 1 107.54  ? 181 A 1 c
ATOM 1040 H HG23 . VAL Axp A 66  ? 79.356  120.537 26.649 1 107.392 ? 181 A 1 c
ATOM 1041 N N    . ILE Axp A 67  ? 82.9    120.271 29.222 1 103.491 ? 182 A 1 .
ATOM 1042 C CA   . ILE Axp A 67  ? 83.81   120.673 30.279 1 106.135 ? 182 A 1 .
ATOM 1043 C C    . ILE Axp A 67  ? 83.359  122.023 30.821 1 112.353 ? 182 A 1 .
ATOM 1044 O O    . ILE Axp A 67  ? 83.162  122.974 30.053 1 108.45  ? 182 A 1 .
ATOM 1045 C CB   . ILE Axp A 67  ? 85.266  120.731 29.792 1 116.81  ? 182 A 1 .
ATOM 1046 C CG1  . ILE Axp A 67  ? 85.601  119.599 28.817 1 133.739 ? 182 A 1 .
ATOM 1047 C CG2  . ILE Axp A 67  ? 86.223  120.756 30.992 1 108.538 ? 182 A 1 .
ATOM 1048 C CD1  . ILE Axp A 67  ? 86.652  119.968 27.792 1 151.433 ? 182 A 1 .
ATOM 1049 H H    . ILE Axp A 67  ? 82.879  120.76  28.451 1 108.767 ? 182 A 1 c
ATOM 1050 H HA   . ILE Axp A 67  ? 83.757  120.017 30.996 1 108.274 ? 182 A 1 c
ATOM 1051 H HB   . ILE Axp A 67  ? 85.379  121.574 29.309 1 116.411 ? 182 A 1 c
ATOM 1052 H HG12 . ILE Axp A 67  ? 84.787  119.33  28.346 1 132.82  ? 182 A 1 c
ATOM 1053 H HG13 . ILE Axp A 67  ? 85.918  118.827 29.328 1 133.187 ? 182 A 1 c
ATOM 1054 H HG21 . ILE Axp A 67  ? 87.136  120.629 30.684 1 110.892 ? 182 A 1 c
ATOM 1055 H HG22 . ILE Axp A 67  ? 85.99   120.043 31.611 1 110.877 ? 182 A 1 c
ATOM 1056 H HG23 . ILE Axp A 67  ? 86.153  121.612 31.447 1 110.897 ? 182 A 1 c
ATOM 1057 H HD11 . ILE Axp A 67  ? 86.218  120.311 26.988 1 145.79  ? 182 A 1 c
ATOM 1058 H HD12 . ILE Axp A 67  ? 87.177  119.178 27.564 1 145.848 ? 182 A 1 c
ATOM 1059 H HD13 . ILE Axp A 67  ? 87.242  120.654 28.158 1 145.535 ? 182 A 1 c
ATOM 1060 N N    . VAL Axp A 68  ? 83.229  122.096 32.153 1 98.991  ? 183 A 1 .
ATOM 1061 C CA   . VAL Axp A 68  ? 82.567  123.239 32.756 1 99.847  ? 183 A 1 .
ATOM 1062 C C    . VAL Axp A 68  ? 83.552  123.918 33.697 1 102.271 ? 183 A 1 .
ATOM 1063 O O    . VAL Axp A 68  ? 83.781  123.47  34.816 1 109.196 ? 183 A 1 .
ATOM 1064 C CB   . VAL Axp A 68  ? 81.23   122.92  33.456 1 102.177 ? 183 A 1 .
ATOM 1065 C CG1  . VAL Axp A 68  ? 80.509  124.171 33.943 1 112.708 ? 183 A 1 .
ATOM 1066 C CG2  . VAL Axp A 68  ? 80.284  122.152 32.548 1 105.346 ? 183 A 1 .
ATOM 1067 H H    . VAL Axp A 68  ? 83.558  121.433 32.689 1 102.305 ? 183 A 1 c
ATOM 1068 H HA   . VAL Axp A 68  ? 82.366  123.87  32.039 1 100.682 ? 183 A 1 c
ATOM 1069 H HB   . VAL Axp A 68  ? 81.433  122.355 34.238 1 104.232 ? 183 A 1 c
ATOM 1070 H HG11 . VAL Axp A 68  ? 80.342  124.763 33.19  1 109.558 ? 183 A 1 c
ATOM 1071 H HG12 . VAL Axp A 68  ? 81.059  124.631 34.598 1 109.806 ? 183 A 1 c
ATOM 1072 H HG13 . VAL Axp A 68  ? 79.663  123.922 34.351 1 109.512 ? 183 A 1 c
ATOM 1073 H HG21 . VAL Axp A 68  ? 79.406  122.097 32.963 1 104.473 ? 183 A 1 c
ATOM 1074 H HG22 . VAL Axp A 68  ? 80.629  121.255 32.404 1 104.387 ? 183 A 1 c
ATOM 1075 H HG23 . VAL Axp A 68  ? 80.209  122.61  31.695 1 104.397 ? 183 A 1 c
ATOM 1076 N N    . ASP Axp A 69  ? 84.083  125.043 33.215 1 101.758 ? 184 A 1 .
ATOM 1077 C CA   . ASP Axp A 69  ? 85.072  125.817 33.932 1 99.569  ? 184 A 1 .
ATOM 1078 C C    . ASP Axp A 69  ? 84.482  127.185 34.237 1 97.952  ? 184 A 1 .
ATOM 1079 O O    . ASP Axp A 69  ? 84.566  128.087 33.409 1 85.377  ? 184 A 1 .
ATOM 1080 C CB   . ASP Axp A 69  ? 86.32   125.949 33.08  1 99.733  ? 184 A 1 .
ATOM 1081 C CG   . ASP Axp A 69  ? 87.499  126.619 33.757 1 101.661 ? 184 A 1 .
ATOM 1082 O OD1  . ASP Axp A 69  ? 87.319  127.109 34.905 1 83.529  ? 184 A 1 .
ATOM 1083 O OD2  . ASP Axp A 69  ? 88.579  126.622 33.121 1 117.897 ? 184 A 1 .
ATOM 1084 H H    . ASP Axp A 69  ? 83.814  125.341 32.394 1 101.359 ? 184 A 1 c
ATOM 1085 H HA   . ASP Axp A 69  ? 85.294  125.36  34.774 1 99.742  ? 184 A 1 c
ATOM 1086 H HB3  . ASP Axp A 69  ? 86.104  126.453 32.267 1 100.043 ? 184 A 1 c
ATOM 1087 H HB2  . ASP Axp A 69  ? 86.601  125.051 32.806 1 100.119 ? 184 A 1 c
ATOM 1088 N N    . LEU Axp A 70  ? 83.896  127.343 35.427 1 106.509 ? 185 A 1 .
ATOM 1089 C CA   . LEU Axp A 70  ? 83.182  128.581 35.714 1 111.027 ? 185 A 1 .
ATOM 1090 C C    . LEU Axp A 70  ? 83.691  129.196 37.003 1 106.162 ? 185 A 1 .
ATOM 1091 O O    . LEU Axp A 70  ? 84.209  128.497 37.876 1 103.624 ? 185 A 1 .
ATOM 1092 C CB   . LEU Axp A 70  ? 81.665  128.424 35.794 1 105.531 ? 185 A 1 .
ATOM 1093 C CG   . LEU Axp A 70  ? 80.97   127.878 34.539 1 113.59  ? 185 A 1 .
ATOM 1094 C CD1  . LEU Axp A 70  ? 79.483  127.696 34.791 1 120.376 ? 185 A 1 .
ATOM 1095 C CD2  . LEU Axp A 70  ? 81.158  128.73  33.306 1 103.714 ? 185 A 1 .
ATOM 1096 H H    . LEU Axp A 70  ? 83.937  126.686 36.061 1 105.283 ? 185 A 1 c
ATOM 1097 H HA   . LEU Axp A 70  ? 83.387  129.22  34.987 1 107.945 ? 185 A 1 c
ATOM 1098 H HB3  . LEU Axp A 70  ? 81.276  129.304 36.004 1 108.544 ? 185 A 1 c
ATOM 1099 H HB2  . LEU Axp A 70  ? 81.459  127.824 36.548 1 108.616 ? 185 A 1 c
ATOM 1100 H HG   . LEU Axp A 70  ? 81.353  126.983 34.346 1 111.354 ? 185 A 1 c
ATOM 1101 H HD11 . LEU Axp A 70  ? 79.344  127.376 35.697 1 118.084 ? 185 A 1 c
ATOM 1102 H HD12 . LEU Axp A 70  ? 79.123  127.049 34.161 1 118.239 ? 185 A 1 c
ATOM 1103 H HD13 . LEU Axp A 70  ? 79.027  128.547 34.677 1 118.103 ? 185 A 1 c
ATOM 1104 H HD21 . LEU Axp A 70  ? 82.105  128.862 33.143 1 106.479 ? 185 A 1 c
ATOM 1105 H HD22 . LEU Axp A 70  ? 80.731  129.593 33.439 1 106.602 ? 185 A 1 c
ATOM 1106 H HD23 . LEU Axp A 70  ? 80.757  128.286 32.54  1 106.512 ? 185 A 1 c
ATOM 1107 N N    . GLU Axp A 71  ? 83.476  130.513 37.096 1 105.973 ? 186 A 1 .
ATOM 1108 C CA   . GLU Axp A 71  ? 83.963  131.287 38.224 1 123.803 ? 186 A 1 .
ATOM 1109 C C    . GLU Axp A 71  ? 83.291  130.771 39.493 1 118.473 ? 186 A 1 .
ATOM 1110 O O    . GLU Axp A 71  ? 83.976  130.256 40.367 1 105.398 ? 186 A 1 .
ATOM 1111 C CB   . GLU Axp A 71  ? 83.837  132.802 38.014 1 141.195 ? 186 A 1 .
ATOM 1112 C CG   . GLU Axp A 71  ? 85.181  133.505 37.792 1 138.726 ? 186 A 1 .
ATOM 1113 C CD   . GLU Axp A 71  ? 85.143  135.017 37.609 1 154.596 ? 186 A 1 .
ATOM 1114 O OE1  . GLU Axp A 71  ? 84.523  135.482 36.62  1 149.476 ? 186 A 1 .
ATOM 1115 O OE2  . GLU Axp A 71  ? 85.744  135.734 38.448 1 166.102 ? 186 A 1 .
ATOM 1116 H H    . GLU Axp A 71  ? 83.007  130.94  36.438 1 110.19  ? 186 A 1 c
ATOM 1117 H HA   . GLU Axp A 71  ? 84.932  131.097 38.309 1 122.101 ? 186 A 1 c
ATOM 1118 H HB3  . GLU Axp A 71  ? 83.403  133.196 38.8   1 136.306 ? 186 A 1 c
ATOM 1119 H HB2  . GLU Axp A 71  ? 83.26   132.971 37.241 1 136.05  ? 186 A 1 c
ATOM 1120 H HG3  . GLU Axp A 71  ? 85.607  133.115 36.999 1 142.791 ? 186 A 1 c
ATOM 1121 H HG2  . GLU Axp A 71  ? 85.765  133.306 38.554 1 142.781 ? 186 A 1 c
ATOM 1122 N N    . SER Axp A 72  ? 81.962  130.899 39.585 1 137.521 ? 187 A 1 .
ATOM 1123 C CA   . SER Axp A 72  ? 81.243  130.475 40.777 1 149.308 ? 187 A 1 .
ATOM 1124 C C    . SER Axp A 72  ? 81.13   128.958 40.782 1 153.866 ? 187 A 1 .
ATOM 1125 O O    . SER Axp A 72  ? 81.283  128.3   39.758 1 158.903 ? 187 A 1 .
ATOM 1126 C CB   . SER Axp A 72  ? 79.882  131.12  40.868 1 146.179 ? 187 A 1 .
ATOM 1127 O OG   . SER Axp A 72  ? 79.123  130.641 41.971 1 144.379 ? 187 A 1 .
ATOM 1128 H H    . SER Axp A 72  ? 81.493  131.259 38.888 1 135.177 ? 187 A 1 c
ATOM 1129 H HA   . SER Axp A 72  ? 81.771  130.749 41.57  1 146.663 ? 187 A 1 c
ATOM 1130 H HB3  . SER Axp A 72  ? 79.398  130.939 40.049 1 144.819 ? 187 A 1 c
ATOM 1131 H HB2  . SER Axp A 72  ? 79.99   132.087 40.947 1 146.135 ? 187 A 1 c
ATOM 1132 H HG   . SER Axp A 72  ? 78.353  131.141 41.941 0 129.56  ? 187 A 1 c
ATOM 1133 N N    . ASP Axp A 73  ? 80.844  128.407 41.954 1 134.568 ? 188 A 1 .
ATOM 1134 C CA   . ASP Axp A 73  ? 80.627  126.982 42.044 1 121.893 ? 188 A 1 .
ATOM 1135 C C    . ASP Axp A 73  ? 79.154  126.655 41.827 1 121.689 ? 188 A 1 .
ATOM 1136 O O    . ASP Axp A 73  ? 78.833  125.582 41.341 1 106.592 ? 188 A 1 .
ATOM 1137 C CB   . ASP Axp A 73  ? 81.122  126.491 43.381 1 130.898 ? 188 A 1 .
ATOM 1138 C CG   . ASP Axp A 73  ? 82.017  125.277 43.27  1 127.557 ? 188 A 1 .
ATOM 1139 O OD1  . ASP Axp A 73  ? 82.829  125.259 42.303 1 100.616 ? 188 A 1 .
ATOM 1140 O OD2  . ASP Axp A 73  ? 81.916  124.415 44.179 1 105.153 ? 188 A 1 .
ATOM 1141 H H    . ASP Axp A 73  ? 80.781  128.923 42.706 1 135.798 ? 188 A 1 c
ATOM 1142 H HA   . ASP Axp A 73  ? 81.149  126.542 41.338 1 126.168 ? 188 A 1 c
ATOM 1143 H HB3  . ASP Axp A 73  ? 80.353  126.265 43.943 1 127.458 ? 188 A 1 c
ATOM 1144 H HB2  . ASP Axp A 73  ? 81.627  127.201 43.83  1 128.012 ? 188 A 1 c
ATOM 1145 N N    . SER Axp A 74  ? 78.267  127.58  42.208 1 126.542 ? 189 A 1 .
ATOM 1146 C CA   . SER Axp A 74  ? 76.84   127.433 41.974 1 102.758 ? 189 A 1 .
ATOM 1147 C C    . SER Axp A 74  ? 76.541  127.523 40.482 1 97.114  ? 189 A 1 .
ATOM 1148 O O    . SER Axp A 74  ? 75.733  126.765 39.963 1 116.422 ? 189 A 1 .
ATOM 1149 C CB   . SER Axp A 74  ? 76.079  128.461 42.745 1 85.562  ? 189 A 1 .
ATOM 1150 O OG   . SER Axp A 74  ? 76.438  128.366 44.117 1 87.113  ? 189 A 1 .
ATOM 1151 H H    . SER Axp A 74  ? 78.562  128.329 42.64  1 119.553 ? 189 A 1 c
ATOM 1152 H HA   . SER Axp A 74  ? 76.564  126.536 42.291 1 102.469 ? 189 A 1 c
ATOM 1153 H HB3  . SER Axp A 74  ? 75.121  128.307 42.642 1 89.603  ? 189 A 1 c
ATOM 1154 H HB2  . SER Axp A 74  ? 76.294  129.351 42.407 1 89.603  ? 189 A 1 c
ATOM 1155 H HG   . SER Axp A 74  ? 75.985  129.263 44.558 0 123.52  ? 189 A 1 c
ATOM 1156 N N    . GLU Axp A 75  ? 77.208  128.45  39.798 1 97.703  ? 190 A 1 .
ATOM 1157 C CA   . GLU Axp A 75  ? 77.058  128.615 38.362 1 99.328  ? 190 A 1 .
ATOM 1158 C C    . GLU Axp A 75  ? 77.269  127.282 37.662 1 99.574  ? 190 A 1 .
ATOM 1159 O O    . GLU Axp A 75  ? 76.568  126.918 36.719 1 94.648  ? 190 A 1 .
ATOM 1160 C CB   . GLU Axp A 75  ? 78.085  129.627 37.855 1 103.115 ? 190 A 1 .
ATOM 1161 C CG   . GLU Axp A 75  ? 77.708  131.068 38.188 1 105.067 ? 190 A 1 .
ATOM 1162 C CD   . GLU Axp A 75  ? 78.556  132.127 37.521 1 100.986 ? 190 A 1 .
ATOM 1163 O OE1  . GLU Axp A 75  ? 79.742  132.272 37.882 1 122.184 ? 190 A 1 .
ATOM 1164 O OE2  . GLU Axp A 75  ? 78.028  132.777 36.602 1 91.062  ? 190 A 1 .
ATOM 1165 H H    . GLU Axp A 75  ? 77.773  129.012 40.245 1 98.206  ? 190 A 1 c
ATOM 1166 H HA   . GLU Axp A 75  ? 76.141  128.941 38.172 1 99.749  ? 190 A 1 c
ATOM 1167 H HB3  . GLU Axp A 75  ? 78.169  129.536 36.883 1 102.7   ? 190 A 1 c
ATOM 1168 H HB2  . GLU Axp A 75  ? 78.957  129.421 38.252 1 102.875 ? 190 A 1 c
ATOM 1169 H HG3  . GLU Axp A 75  ? 77.753  131.196 39.157 1 104.151 ? 190 A 1 c
ATOM 1170 H HG2  . GLU Axp A 75  ? 76.774  131.215 37.925 1 103.653 ? 190 A 1 c
ATOM 1171 N N    . THR Axp A 76  ? 78.279  126.565 38.143 1 117.178 ? 191 A 1 .
ATOM 1172 C CA   . THR Axp A 76  ? 78.613  125.276 37.577 1 124.338 ? 191 A 1 .
ATOM 1173 C C    . THR Axp A 76  ? 77.393  124.375 37.72  1 112.187 ? 191 A 1 .
ATOM 1174 O O    . THR Axp A 76  ? 76.846  123.911 36.725 1 94.747  ? 191 A 1 .
ATOM 1175 C CB   . THR Axp A 76  ? 79.846  124.724 38.291 1 145.296 ? 191 A 1 .
ATOM 1176 O OG1  . THR Axp A 76  ? 80.614  125.81  38.813 1 158.131 ? 191 A 1 .
ATOM 1177 C CG2  . THR Axp A 76  ? 80.694  123.879 37.36  1 143.317 ? 191 A 1 .
ATOM 1178 H H    . THR Axp A 76  ? 78.784  126.89  38.831 1 114.094 ? 191 A 1 c
ATOM 1179 H HA   . THR Axp A 76  ? 78.818  125.392 36.625 1 124.08  ? 191 A 1 c
ATOM 1180 H HB   . THR Axp A 76  ? 79.557  124.151 39.041 1 142.528 ? 191 A 1 c
ATOM 1181 H HG1  . THR Axp A 76  ? 80.892  126.243 38.365 0 122.22  ? 191 A 1 c
ATOM 1182 H HG21 . THR Axp A 76  ? 81.173  123.209 37.876 1 143.45  ? 191 A 1 c
ATOM 1183 H HG22 . THR Axp A 76  ? 81.332  124.447 36.898 1 143.534 ? 191 A 1 c
ATOM 1184 H HG23 . THR Axp A 76  ? 80.123  123.437 36.709 1 143.349 ? 191 A 1 c
ATOM 1185 N N    . ILE Axp A 77  ? 76.942  124.193 38.967 1 107.158 ? 192 A 1 .
ATOM 1186 C CA   . ILE Axp A 77  ? 75.8    123.345 39.273 1 91.639  ? 192 A 1 .
ATOM 1187 C C    . ILE Axp A 77  ? 74.664  123.645 38.299 1 87.292  ? 192 A 1 .
ATOM 1188 O O    . ILE Axp A 77  ? 74.14   122.734 37.665 1 73.761  ? 192 A 1 .
ATOM 1189 C CB   . ILE Axp A 77  ? 75.338  123.537 40.727 1 74.825  ? 192 A 1 .
ATOM 1190 C CG1  . ILE Axp A 77  ? 76.465  123.24  41.718 1 82.551  ? 192 A 1 .
ATOM 1191 C CG2  . ILE Axp A 77  ? 74.085  122.708 40.985 1 67.107  ? 192 A 1 .
ATOM 1192 C CD1  . ILE Axp A 77  ? 76.025  123.213 43.176 1 103.68  ? 192 A 1 .
ATOM 1193 H H    . ILE Axp A 77  ? 77.361  124.628 39.653 1 104.619 ? 192 A 1 c
ATOM 1194 H HA   . ILE Axp A 77  ? 76.07   122.413 39.156 1 90.118  ? 192 A 1 c
ATOM 1195 H HB   . ILE Axp A 77  ? 75.095  124.476 40.835 1 77.801  ? 192 A 1 c
ATOM 1196 H HG12 . ILE Axp A 77  ? 77.16   123.919 41.617 1 85.447  ? 192 A 1 c
ATOM 1197 H HG13 . ILE Axp A 77  ? 76.86   122.373 41.493 1 85.137  ? 192 A 1 c
ATOM 1198 H HG21 . ILE Axp A 77  ? 73.891  122.69  41.936 1 69.816  ? 192 A 1 c
ATOM 1199 H HG22 . ILE Axp A 77  ? 74.226  121.799 40.668 1 69.434  ? 192 A 1 c
ATOM 1200 H HG23 . ILE Axp A 77  ? 73.331  123.099 40.513 1 69.502  ? 192 A 1 c
ATOM 1201 H HD11 . ILE Axp A 77  ? 75.315  123.866 43.316 1 96.569  ? 192 A 1 c
ATOM 1202 H HD12 . ILE Axp A 77  ? 76.784  123.428 43.75  1 96.871  ? 192 A 1 c
ATOM 1203 H HD13 . ILE Axp A 77  ? 75.695  122.323 43.396 1 96.889  ? 192 A 1 c
ATOM 1204 N N    . HIS Axp A 78  ? 74.288  124.929 38.232 1 90.627  ? 193 A 1 .
ATOM 1205 C CA   . HIS Axp A 78  ? 73.22   125.374 37.363 1 100.211 ? 193 A 1 .
ATOM 1206 C C    . HIS Axp A 78  ? 73.513  124.84  35.963 1 94.825  ? 193 A 1 .
ATOM 1207 O O    . HIS Axp A 78  ? 72.749  124.049 35.417 1 86.544  ? 193 A 1 .
ATOM 1208 C CB   . HIS Axp A 78  ? 73.049  126.894 37.477 1 117.939 ? 193 A 1 .
ATOM 1209 C CG   . HIS Axp A 78  ? 71.787  127.412 36.854 1 139.195 ? 193 A 1 .
ATOM 1210 N ND1  . HIS Axp A 78  ? 71.079  126.702 35.907 1 144.311 ? 193 A 1 .
ATOM 1211 C CD2  . HIS Axp A 78  ? 71.102  128.548 37.039 1 131.76  ? 193 A 1 .
ATOM 1212 C CE1  . HIS Axp A 78  ? 70.01   127.39  35.549 1 141.25  ? 193 A 1 .
ATOM 1213 N NE2  . HIS Axp A 78  ? 70.007  128.514 36.224 1 137.744 ? 193 A 1 .
ATOM 1214 H H    . HIS Axp A 78  ? 74.716  125.547 38.752 1 92.106  ? 193 A 1 c
ATOM 1215 H HA   . HIS Axp A 78  ? 72.387  124.95  37.682 1 100.048 ? 193 A 1 c
ATOM 1216 H HB3  . HIS Axp A 78  ? 73.817  127.33  37.048 1 117.933 ? 193 A 1 c
ATOM 1217 H HB2  . HIS Axp A 78  ? 73.058  127.142 38.427 1 117.907 ? 193 A 1 c
ATOM 1218 H HD1  . HIS Axp A 78  ? 71.122  125.974 35.762 0 122.85  ? 193 A 1 c
ATOM 1219 H HD2  . HIS Axp A 78  ? 71.297  129.247 37.626 1 134.644 ? 193 A 1 c
ATOM 1220 H HE1  . HIS Axp A 78  ? 69.37   127.125 34.911 1 140.997 ? 193 A 1 c
ATOM 1221 H HE2  . HIS Axp A 78  ? 69.542  129.41  36.212 0 122.52  ? 193 A 1 c
ATOM 1222 N N    . CYS Axp A 79  ? 74.662  125.228 35.414 1 102.158 ? 194 A 1 .
ATOM 1223 C CA   . CYS Axp A 79  ? 75.048  124.801 34.079 1 106.549 ? 194 A 1 .
ATOM 1224 C C    . CYS Axp A 79  ? 74.779  123.308 33.869 1 99.088  ? 194 A 1 .
ATOM 1225 O O    . CYS Axp A 79  ? 74.115  122.928 32.909 1 91.133  ? 194 A 1 .
ATOM 1226 C CB   . CYS Axp A 79  ? 76.504  125.147 33.809 1 96.701  ? 194 A 1 .
ATOM 1227 S SG   . CYS Axp A 79  ? 77.021  124.601 32.165 1 106.014 ? 194 A 1 .
ATOM 1228 H H    . CYS Axp A 79  ? 75.223  125.777 35.882 1 101.322 ? 194 A 1 c
ATOM 1229 H HA   . CYS Axp A 79  ? 74.494  125.307 33.431 1 102.365 ? 194 A 1 c
ATOM 1230 H HB3  . CYS Axp A 79  ? 77.077  124.717 34.48  1 100.655 ? 194 A 1 c
ATOM 1231 H HB2  . CYS Axp A 79  ? 76.628  126.12  33.874 1 100.688 ? 194 A 1 c
ATOM 1232 H HG   . CYS Axp A 79  ? 78.169  124.995 32.52  0 120.86  ? 194 A 1 c
ATOM 1233 N N    . ILE Axp A 80  ? 75.276  122.482 34.795 1 93.553  ? 195 A 1 .
ATOM 1234 C CA   . ILE Axp A 80  ? 75.09   121.039 34.762 1 100.407 ? 195 A 1 .
ATOM 1235 C C    . ILE Axp A 80  ? 73.601  120.703 34.708 1 107.471 ? 195 A 1 .
ATOM 1236 O O    . ILE Axp A 80  ? 73.185  119.884 33.886 1 106.318 ? 195 A 1 .
ATOM 1237 C CB   . ILE Axp A 80  ? 75.749  120.369 35.985 1 111.788 ? 195 A 1 .
ATOM 1238 C CG1  . ILE Axp A 80  ? 77.276  120.56  35.97  1 118.19  ? 195 A 1 .
ATOM 1239 C CG2  . ILE Axp A 80  ? 75.351  118.887 36.099 1 116.237 ? 195 A 1 .
ATOM 1240 C CD1  . ILE Axp A 80  ? 77.969  120.282 37.298 1 117.012 ? 195 A 1 .
ATOM 1241 H H    . ILE Axp A 80  ? 75.748  122.842 35.49  1 96.829  ? 195 A 1 c
ATOM 1242 H HA   . ILE Axp A 80  ? 75.516  120.693 33.954 1 102.282 ? 195 A 1 c
ATOM 1243 H HB   . ILE Axp A 80  ? 75.411  120.822 36.781 1 111.252 ? 195 A 1 c
ATOM 1244 H HG12 . ILE Axp A 80  ? 77.475  121.48  35.704 1 116.027 ? 195 A 1 c
ATOM 1245 H HG13 . ILE Axp A 80  ? 77.657  119.967 35.291 1 116.378 ? 195 A 1 c
ATOM 1246 H HG21 . ILE Axp A 80  ? 75.811  118.482 36.853 1 114.922 ? 195 A 1 c
ATOM 1247 H HG22 . ILE Axp A 80  ? 75.598  118.42  35.283 1 114.901 ? 195 A 1 c
ATOM 1248 H HG23 . ILE Axp A 80  ? 74.393  118.816 36.233 1 114.816 ? 195 A 1 c
ATOM 1249 H HD11 . ILE Axp A 80  ? 77.646  120.91  37.972 1 117.35  ? 195 A 1 c
ATOM 1250 H HD12 . ILE Axp A 80  ? 78.933  120.39  37.191 1 117.35  ? 195 A 1 c
ATOM 1251 H HD13 . ILE Axp A 80  ? 77.776  119.371 37.586 1 117.328 ? 195 A 1 c
ATOM 1252 N N    . LEU Axp A 81  ? 72.807  121.302 35.611 1 99.301  ? 196 A 1 .
ATOM 1253 C CA   . LEU Axp A 81  ? 71.374  121.05  35.645 1 79.48   ? 196 A 1 .
ATOM 1254 C C    . LEU Axp A 81  ? 70.79   121.33  34.267 1 89.601  ? 196 A 1 .
ATOM 1255 O O    . LEU Axp A 81  ? 69.965  120.57  33.758 1 92.084  ? 196 A 1 .
ATOM 1256 C CB   . LEU Axp A 81  ? 70.721  121.908 36.712 1 65.815  ? 196 A 1 .
ATOM 1257 C CG   . LEU Axp A 81  ? 71.152  121.571 38.139 1 79.886  ? 196 A 1 .
ATOM 1258 C CD1  . LEU Axp A 81  ? 70.682  122.632 39.098 1 90.772  ? 196 A 1 .
ATOM 1259 C CD2  . LEU Axp A 81  ? 70.607  120.227 38.585 1 100.903 ? 196 A 1 .
ATOM 1260 H H    . LEU Axp A 81  ? 73.171  121.884 36.214 1 95.776  ? 196 A 1 c
ATOM 1261 H HA   . LEU Axp A 81  ? 71.23   120.094 35.86  1 82.119  ? 196 A 1 c
ATOM 1262 H HB3  . LEU Axp A 81  ? 69.744  121.797 36.645 1 72.079  ? 196 A 1 c
ATOM 1263 H HB2  . LEU Axp A 81  ? 70.938  122.851 36.531 1 72.121  ? 196 A 1 c
ATOM 1264 H HG   . LEU Axp A 81  ? 72.14   121.533 38.172 1 82.579  ? 196 A 1 c
ATOM 1265 H HD11 . LEU Axp A 81  ? 70.98   123.504 38.79  1 87.359  ? 196 A 1 c
ATOM 1266 H HD12 . LEU Axp A 81  ? 71.051  122.459 39.98  1 87.416  ? 196 A 1 c
ATOM 1267 H HD13 . LEU Axp A 81  ? 69.712  122.621 39.145 1 87.383  ? 196 A 1 c
ATOM 1268 H HD21 . LEU Axp A 81  ? 71.078  119.515 38.121 1 94.111  ? 196 A 1 c
ATOM 1269 H HD22 . LEU Axp A 81  ? 69.658  120.176 38.378 1 94.387  ? 196 A 1 c
ATOM 1270 H HD23 . LEU Axp A 81  ? 70.734  120.126 39.543 1 94.129  ? 196 A 1 c
ATOM 1271 N N    . GLY Axp A 82  ? 71.291  122.407 33.656 1 98.78   ? 197 A 1 .
ATOM 1272 C CA   . GLY Axp A 82  ? 70.902  122.78  32.312 1 94.731  ? 197 A 1 .
ATOM 1273 C C    . GLY Axp A 82  ? 71.482  121.827 31.276 1 91.58   ? 197 A 1 .
ATOM 1274 O O    . GLY Axp A 82  ? 70.905  121.636 30.207 1 93.548  ? 197 A 1 .
ATOM 1275 H H    . GLY Axp A 82  ? 71.888  122.937 34.101 1 95.582  ? 197 A 1 c
ATOM 1276 H HA3  . GLY Axp A 82  ? 71.216  123.697 32.129 1 94.957  ? 197 A 1 c
ATOM 1277 H HA2  . GLY Axp A 82  ? 69.918  122.778 32.249 1 94.921  ? 197 A 1 c
ATOM 1278 N N    . ILE Axp A 83  ? 72.638  121.241 31.589 1 97.98   ? 198 A 1 .
ATOM 1279 C CA   . ILE Axp A 83  ? 73.333  120.44  30.598 1 117.415 ? 198 A 1 .
ATOM 1280 C C    . ILE Axp A 83  ? 72.535  119.158 30.369 1 119.97  ? 198 A 1 .
ATOM 1281 O O    . ILE Axp A 83  ? 72.154  118.873 29.236 1 136.088 ? 198 A 1 .
ATOM 1282 C CB   . ILE Axp A 83  ? 74.812  120.204 30.978 1 121.825 ? 198 A 1 .
ATOM 1283 C CG1  . ILE Axp A 83  ? 75.735  120.328 29.766 1 118.687 ? 198 A 1 .
ATOM 1284 C CG2  . ILE Axp A 83  ? 75.05   118.893 31.721 1 132.39  ? 198 A 1 .
ATOM 1285 C CD1  . ILE Axp A 83  ? 76.379  121.699 29.634 1 124.279 ? 198 A 1 .
ATOM 1286 H H    . ILE Axp A 83  ? 73.007  121.353 32.416 1 100.654 ? 198 A 1 c
ATOM 1287 H HA   . ILE Axp A 83  ? 73.326  120.944 29.761 1 114.598 ? 198 A 1 c
ATOM 1288 H HB   . ILE Axp A 83  ? 75.062  120.922 31.592 1 121.81  ? 198 A 1 c
ATOM 1289 H HG12 . ILE Axp A 83  ? 75.223  120.138 28.956 1 120.988 ? 198 A 1 c
ATOM 1290 H HG13 . ILE Axp A 83  ? 76.442  119.654 29.837 1 120.838 ? 198 A 1 c
ATOM 1291 H HG21 . ILE Axp A 83  ? 75.982  118.843 31.993 1 129.048 ? 198 A 1 c
ATOM 1292 H HG22 . ILE Axp A 83  ? 74.848  118.143 31.138 1 128.928 ? 198 A 1 c
ATOM 1293 H HG23 . ILE Axp A 83  ? 74.488  118.852 32.508 1 128.687 ? 198 A 1 c
ATOM 1294 H HD11 . ILE Axp A 83  ? 75.716  122.389 29.823 1 122.731 ? 198 A 1 c
ATOM 1295 H HD12 . ILE Axp A 83  ? 76.719  121.817 28.727 1 122.687 ? 198 A 1 c
ATOM 1296 H HD13 . ILE Axp A 83  ? 77.116  121.777 30.269 1 122.593 ? 198 A 1 c
ATOM 1297 N N    . ARG Axp A 84  ? 72.208  118.438 31.449 1 111.64  ? 199 A 1 .
ATOM 1298 C CA   . ARG Axp A 84  ? 71.608  117.115 31.32  1 120.619 ? 199 A 1 .
ATOM 1299 C C    . ARG Axp A 84  ? 70.11   117.262 31.055 1 112.52  ? 199 A 1 .
ATOM 1300 O O    . ARG Axp A 84  ? 69.464  116.309 30.64  1 113.889 ? 199 A 1 .
ATOM 1301 C CB   . ARG Axp A 84  ? 71.929  116.187 32.506 1 133.538 ? 199 A 1 .
ATOM 1302 C CG   . ARG Axp A 84  ? 71.872  116.868 33.868 1 153.489 ? 199 A 1 .
ATOM 1303 C CD   . ARG Axp A 84  ? 71.238  116.018 34.959 1 182.21  ? 199 A 1 .
ATOM 1304 N NE   . ARG Axp A 84  ? 70.736  116.826 36.081 1 198.913 ? 199 A 1 .
ATOM 1305 C CZ   . ARG Axp A 84  ? 69.795  116.464 36.958 1 199.407 ? 199 A 1 .
ATOM 1306 N NH1  . ARG Axp A 84  ? 69.151  115.316 36.814 1 208.892 ? 199 A 1 .
ATOM 1307 N NH2  . ARG Axp A 84  ? 69.477  117.267 37.963 1 176.304 ? 199 A 1 .
ATOM 1308 H H    . ARG Axp A 84  ? 72.344  118.787 32.282 1 116.187 ? 199 A 1 c
ATOM 1309 H HA   . ARG Axp A 84  ? 72.01   116.684 30.526 1 120.073 ? 199 A 1 c
ATOM 1310 H HB3  . ARG Axp A 84  ? 72.827  115.815 32.377 1 134.803 ? 199 A 1 c
ATOM 1311 H HB2  . ARG Axp A 84  ? 71.294  115.439 32.498 1 135.111 ? 199 A 1 c
ATOM 1312 H HG3  . ARG Axp A 84  ? 71.361  117.702 33.789 1 153.825 ? 199 A 1 c
ATOM 1313 H HG2  . ARG Axp A 84  ? 72.784  117.107 34.143 1 154.495 ? 199 A 1 c
ATOM 1314 H HD3  . ARG Axp A 84  ? 71.902  115.381 35.294 1 178.894 ? 199 A 1 c
ATOM 1315 H HD2  . ARG Axp A 84  ? 70.497  115.506 34.576 1 178.715 ? 199 A 1 c
ATOM 1316 H HE   . ARG Axp A 84  ? 71.084  117.618 36.188 1 194.581 ? 199 A 1 c
ATOM 1317 H HH11 . ARG Axp A 84  ? 69.599  114.554 36.852 1 205.926 ? 199 A 1 c
ATOM 1318 H HH12 . ARG Axp A 84  ? 68.277  115.316 36.682 1 205.926 ? 199 A 1 c
ATOM 1319 H HH21 . ARG Axp A 84  ? 68.942  117.956 37.821 1 182.095 ? 199 A 1 c
ATOM 1320 H HH22 . ARG Axp A 84  ? 69.801  117.11  38.77  1 182.876 ? 199 A 1 c
ATOM 1321 N N    . LYS Axp A 85  ? 69.549  118.452 31.298 1 118.918 ? 200 A 1 .
ATOM 1322 C CA   . LYS Axp A 85  ? 68.201  118.735 30.84  1 118.951 ? 200 A 1 .
ATOM 1323 C C    . LYS Axp A 85  ? 68.161  118.535 29.331 1 114.669 ? 200 A 1 .
ATOM 1324 O O    . LYS Axp A 85  ? 67.11   118.272 28.776 1 131.209 ? 200 A 1 .
ATOM 1325 C CB   . LYS Axp A 85  ? 67.716  120.135 31.221 1 136.987 ? 200 A 1 .
ATOM 1326 C CG   . LYS Axp A 85  ? 67.142  120.233 32.635 1 163.527 ? 200 A 1 .
ATOM 1327 C CD   . LYS Axp A 85  ? 65.8    119.552 32.879 1 161.196 ? 200 A 1 .
ATOM 1328 C CE   . LYS Axp A 85  ? 65.244  119.95  34.217 1 167.529 ? 200 A 1 .
ATOM 1329 N NZ   . LYS Axp A 85  ? 63.833  119.595 34.385 1 173.54  ? 200 A 1 .
ATOM 1330 H H    . LYS Axp A 85  ? 70.003  119.09  31.768 1 117.617 ? 200 A 1 c
ATOM 1331 H HA   . LYS Axp A 85  ? 67.592  118.074 31.256 1 121.585 ? 200 A 1 c
ATOM 1332 H HB3  . LYS Axp A 85  ? 67.024  120.416 30.584 1 137.964 ? 200 A 1 c
ATOM 1333 H HB2  . LYS Axp A 85  ? 68.466  120.762 31.144 1 137.961 ? 200 A 1 c
ATOM 1334 H HG3  . LYS Axp A 85  ? 67.055  121.184 32.861 1 156.54  ? 200 A 1 c
ATOM 1335 H HG2  . LYS Axp A 85  ? 67.797  119.848 33.255 1 155.964 ? 200 A 1 c
ATOM 1336 H HD3  . LYS Axp A 85  ? 65.916  118.577 32.853 1 162.852 ? 200 A 1 c
ATOM 1337 H HD2  . LYS Axp A 85  ? 65.169  119.812 32.173 1 163.156 ? 200 A 1 c
ATOM 1338 H HE3  . LYS Axp A 85  ? 65.337  120.913 34.331 1 167.4   ? 200 A 1 c
ATOM 1339 H HE2  . LYS Axp A 85  ? 65.761  119.516 34.919 1 167.477 ? 200 A 1 c
ATOM 1340 H HZ1  . LYS Axp A 85  ? 63.747  119.001 35.064 1 171.577 ? 200 A 1 c
ATOM 1341 H HZ2  . LYS Axp A 85  ? 63.508  119.22  33.626 1 171.513 ? 200 A 1 c
ATOM 1342 H HZ3  . LYS Axp A 85  ? 63.351  120.338 34.575 1 171.578 ? 200 A 1 c
ATOM 1343 N N    . ILE Axp A 86  ? 69.322  118.615 28.679 1 118.323 ? 201 A 1 .
ATOM 1344 C CA   . ILE Axp A 86  ? 69.448  118.333 27.259 1 137.004 ? 201 A 1 .
ATOM 1345 C C    . ILE Axp A 86  ? 69.979  116.912 27.027 1 157.563 ? 201 A 1 .
ATOM 1346 O O    . ILE Axp A 86  ? 69.664  116.329 25.989 1 195.035 ? 201 A 1 .
ATOM 1347 C CB   . ILE Axp A 86  ? 70.345  119.39  26.587 1 140.451 ? 201 A 1 .
ATOM 1348 C CG1  . ILE Axp A 86  ? 70.058  120.78  27.145 1 142.721 ? 201 A 1 .
ATOM 1349 C CG2  . ILE Axp A 86  ? 70.214  119.347 25.062 1 141.795 ? 201 A 1 .
ATOM 1350 C CD1  . ILE Axp A 86  ? 71.175  121.777 26.931 1 146.167 ? 201 A 1 .
ATOM 1351 H H    . ILE Axp A 86  ? 70.071  118.872 29.136 1 121.716 ? 201 A 1 c
ATOM 1352 H HA   . ILE Axp A 86  ? 68.56   118.395 26.856 1 137.083 ? 201 A 1 c
ATOM 1353 H HB   . ILE Axp A 86  ? 71.272  119.172 26.808 1 140.538 ? 201 A 1 c
ATOM 1354 H HG12 . ILE Axp A 86  ? 69.883  120.71  28.103 1 142.218 ? 201 A 1 c
ATOM 1355 H HG13 . ILE Axp A 86  ? 69.247  121.124 26.719 1 142.835 ? 201 A 1 c
ATOM 1356 H HG21 . ILE Axp A 86  ? 70.653  120.122 24.673 1 141.459 ? 201 A 1 c
ATOM 1357 H HG22 . ILE Axp A 86  ? 69.274  119.354 24.815 1 141.398 ? 201 A 1 c
ATOM 1358 H HG23 . ILE Axp A 86  ? 70.63   118.537 24.721 1 141.476 ? 201 A 1 c
ATOM 1359 H HD11 . ILE Axp A 86  ? 71.795  121.736 27.683 1 144.768 ? 201 A 1 c
ATOM 1360 H HD12 . ILE Axp A 86  ? 70.8    122.676 26.87  1 145.037 ? 201 A 1 c
ATOM 1361 H HD13 . ILE Axp A 86  ? 71.653  121.57  26.107 1 144.986 ? 201 A 1 c
ATOM 1362 N N    . ASP Axp A 87  ? 70.802  116.348 27.935 1 132.553 ? 202 A 1 .
ATOM 1363 C CA   . ASP Axp A 87  ? 71.376  115.028 27.676 1 134.587 ? 202 A 1 .
ATOM 1364 C C    . ASP Axp A 87  ? 71.771  114.257 28.932 1 144.904 ? 202 A 1 .
ATOM 1365 O O    . ASP Axp A 87  ? 72.892  114.386 29.435 1 167.893 ? 202 A 1 .
ATOM 1366 C CB   . ASP Axp A 87  ? 72.59   115.098 26.77  1 140.349 ? 202 A 1 .
ATOM 1367 C CG   . ASP Axp A 87  ? 72.385  114.587 25.357 1 161.572 ? 202 A 1 .
ATOM 1368 O OD1  . ASP Axp A 87  ? 71.389  113.874 25.151 1 206.401 ? 202 A 1 .
ATOM 1369 O OD2  . ASP Axp A 87  ? 73.226  114.904 24.486 1 150.544 ? 202 A 1 .
ATOM 1370 H H    . ASP Axp A 87  ? 71.028  116.795 28.697 1 137.846 ? 202 A 1 c
ATOM 1371 H HA   . ASP Axp A 87  ? 70.696  114.497 27.206 1 137.978 ? 202 A 1 c
ATOM 1372 H HB3  . ASP Axp A 87  ? 73.273  114.531 27.168 1 144.463 ? 202 A 1 c
ATOM 1373 H HB2  . ASP Axp A 87  ? 72.909  116.023 26.729 1 143.981 ? 202 A 1 c
ATOM 1374 N N    . GLU Axp A 88  ? 70.89   113.325 29.318 1 134.174 ? 203 A 1 .
ATOM 1375 C CA   . GLU Axp A 88  ? 71.129  112.439 30.448 1 129.78  ? 203 A 1 .
ATOM 1376 C C    . GLU Axp A 88  ? 72.375  111.585 30.201 1 133.958 ? 203 A 1 .
ATOM 1377 O O    . GLU Axp A 88  ? 72.835  110.841 31.073 1 90.832  ? 203 A 1 .
ATOM 1378 C CB   . GLU Axp A 88  ? 69.869  111.595 30.626 1 122.818 ? 203 A 1 .
ATOM 1379 C CG   . GLU Axp A 88  ? 68.65   112.423 31.02  1 131.547 ? 203 A 1 .
ATOM 1380 C CD   . GLU Axp A 88  ? 68.676  113.07  32.403 1 134.508 ? 203 A 1 .
ATOM 1381 O OE1  . GLU Axp A 88  ? 69.438  112.658 33.312 1 136.046 ? 203 A 1 .
ATOM 1382 O OE2  . GLU Axp A 88  ? 67.891  114.028 32.563 1 118.633 ? 203 A 1 .
ATOM 1383 H H    . GLU Axp A 88  ? 70.112  113.233 28.848 1 135.41  ? 203 A 1 c
ATOM 1384 H HA   . GLU Axp A 88  ? 71.275  112.992 31.257 1 130.094 ? 203 A 1 c
ATOM 1385 H HB3  . GLU Axp A 88  ? 70.035  110.92  31.316 1 126.383 ? 203 A 1 c
ATOM 1386 H HB2  . GLU Axp A 88  ? 69.681  111.125 29.787 1 126.391 ? 203 A 1 c
ATOM 1387 H HG3  . GLU Axp A 88  ? 67.857  111.849 30.972 1 130.165 ? 203 A 1 c
ATOM 1388 H HG2  . GLU Axp A 88  ? 68.524  113.134 30.357 1 130.159 ? 203 A 1 c
ATOM 1389 N N    . SER Axp A 89  ? 72.956  111.782 29.012 1 153.909 ? 204 A 1 .
ATOM 1390 C CA   . SER Axp A 89  ? 73.869  110.847 28.385 1 142.004 ? 204 A 1 .
ATOM 1391 C C    . SER Axp A 89  ? 75.301  111.388 28.343 1 153.254 ? 204 A 1 .
ATOM 1392 O O    . SER Axp A 89  ? 76.224  110.622 28.599 1 120.266 ? 204 A 1 .
ATOM 1393 C CB   . SER Axp A 89  ? 73.367  110.534 27.006 1 133.949 ? 204 A 1 .
ATOM 1394 O OG   . SER Axp A 89  ? 73.245  111.73  26.243 1 127.741 ? 204 A 1 .
ATOM 1395 H H    . SER Axp A 89  ? 72.767  112.551 28.558 1 146.094 ? 204 A 1 c
ATOM 1396 H HA   . SER Axp A 89  ? 73.869  110.009 28.914 1 144.075 ? 204 A 1 c
ATOM 1397 H HB3  . SER Axp A 89  ? 72.498  110.095 27.068 1 134.218 ? 204 A 1 c
ATOM 1398 H HB2  . SER Axp A 89  ? 73.99   109.926 26.564 1 134.218 ? 204 A 1 c
ATOM 1399 H HG   . SER Axp A 89  ? 72.724  111.522 25.531 0 135.57  ? 204 A 1 c
ATOM 1400 N N    . VAL Axp A 90  ? 75.465  112.696 28.078 1 159.856 ? 205 A 1 .
ATOM 1401 C CA   . VAL Axp A 90  ? 76.768  113.31  27.854 1 137.281 ? 205 A 1 .
ATOM 1402 C C    . VAL Axp A 90  ? 77.64   113.17  29.093 1 119.179 ? 205 A 1 .
ATOM 1403 O O    . VAL Axp A 90  ? 77.157  113.059 30.218 1 116.012 ? 205 A 1 .
ATOM 1404 C CB   . VAL Axp A 90  ? 76.716  114.809 27.523 1 151.184 ? 205 A 1 .
ATOM 1405 C CG1  . VAL Axp A 90  ? 77.86   115.23  26.621 1 150.164 ? 205 A 1 .
ATOM 1406 C CG2  . VAL Axp A 90  ? 75.409  115.216 26.89  1 174.289 ? 205 A 1 .
ATOM 1407 H H    . VAL Axp A 90  ? 74.725  113.229 28.057 1 153.045 ? 205 A 1 c
ATOM 1408 H HA   . VAL Axp A 90  ? 77.2    112.842 27.113 1 140.142 ? 205 A 1 c
ATOM 1409 H HB   . VAL Axp A 90  ? 76.804  115.301 28.373 1 152.126 ? 205 A 1 c
ATOM 1410 H HG11 . VAL Axp A 90  ? 77.552  115.26  25.7   1 150.757 ? 205 A 1 c
ATOM 1411 H HG12 . VAL Axp A 90  ? 78.59   114.596 26.694 1 149.881 ? 205 A 1 c
ATOM 1412 H HG13 . VAL Axp A 90  ? 78.172  116.112 26.884 1 150.409 ? 205 A 1 c
ATOM 1413 H HG21 . VAL Axp A 90  ? 75.532  116.038 26.385 1 166.458 ? 205 A 1 c
ATOM 1414 H HG22 . VAL Axp A 90  ? 74.756  115.366 27.589 1 166.045 ? 205 A 1 c
ATOM 1415 H HG23 . VAL Axp A 90  ? 75.105  114.514 26.292 1 166.007 ? 205 A 1 c
ATOM 1416 N N    . ARG Axp A 91  ? 78.948  113.228 28.845 1 126.997 ? 206 A 1 .
ATOM 1417 C CA   . ARG Axp A 91  ? 79.946  113.244 29.898 1 128.013 ? 206 A 1 .
ATOM 1418 C C    . ARG Axp A 91  ? 80.115  114.667 30.409 1 122.12  ? 206 A 1 .
ATOM 1419 O O    . ARG Axp A 91  ? 80.319  115.616 29.647 1 101.674 ? 206 A 1 .
ATOM 1420 C CB   . ARG Axp A 91  ? 81.328  112.725 29.478 1 130.204 ? 206 A 1 .
ATOM 1421 C CG   . ARG Axp A 91  ? 81.63   111.274 29.822 1 121.277 ? 206 A 1 .
ATOM 1422 C CD   . ARG Axp A 91  ? 83.123  111.032 29.969 1 104.051 ? 206 A 1 .
ATOM 1423 N NE   . ARG Axp A 91  ? 83.515  110.994 31.379 1 95.875  ? 206 A 1 .
ATOM 1424 C CZ   . ARG Axp A 91  ? 84.723  111.282 31.846 1 111.058 ? 206 A 1 .
ATOM 1425 N NH1  . ARG Axp A 91  ? 85.609  111.865 31.061 1 109.696 ? 206 A 1 .
ATOM 1426 N NH2  . ARG Axp A 91  ? 85.038  111.024 33.108 1 114.341 ? 206 A 1 .
ATOM 1427 H H    . ARG Axp A 91  ? 79.235  113.234 27.978 1 125.893 ? 206 A 1 c
ATOM 1428 H HA   . ARG Axp A 91  ? 79.617  112.676 30.639 1 126.74  ? 206 A 1 c
ATOM 1429 H HB3  . ARG Axp A 91  ? 82.01   113.292 29.897 1 127.254 ? 206 A 1 c
ATOM 1430 H HB2  . ARG Axp A 91  ? 81.413  112.834 28.507 1 127.538 ? 206 A 1 c
ATOM 1431 H HG3  . ARG Axp A 91  ? 81.279  110.692 29.113 1 118.961 ? 206 A 1 c
ATOM 1432 H HG2  . ARG Axp A 91  ? 81.18   111.036 30.662 1 118.764 ? 206 A 1 c
ATOM 1433 H HD3  . ARG Axp A 91  ? 83.61   111.746 29.513 1 106.006 ? 206 A 1 c
ATOM 1434 H HD2  . ARG Axp A 91  ? 83.36   110.183 29.544 1 105.712 ? 206 A 1 c
ATOM 1435 H HE   . ARG Axp A 91  ? 82.913  110.76  31.964 1 101.602 ? 206 A 1 c
ATOM 1436 H HH11 . ARG Axp A 91  ? 85.385  112.573 30.581 1 110.04  ? 206 A 1 c
ATOM 1437 H HH12 . ARG Axp A 91  ? 86.433  111.549 31.037 1 110.096 ? 206 A 1 c
ATOM 1438 H HH21 . ARG Axp A 91  ? 84.69   110.319 33.512 1 113.217 ? 206 A 1 c
ATOM 1439 H HH22 . ARG Axp A 91  ? 85.594  111.558 33.54  1 113.271 ? 206 A 1 c
ATOM 1440 N N    . ILE Axp A 92  ? 80.065  114.77  31.735 1 117.912 ? 207 A 1 .
ATOM 1441 C CA   . ILE Axp A 92  ? 80.229  116.037 32.41  1 120.779 ? 207 A 1 .
ATOM 1442 C C    . ILE Axp A 92  ? 81.568  115.991 33.131 1 112.676 ? 207 A 1 .
ATOM 1443 O O    . ILE Axp A 92  ? 81.839  115.053 33.881 1 98.867  ? 207 A 1 .
ATOM 1444 C CB   . ILE Axp A 92  ? 79.054  116.315 33.368 1 130.054 ? 207 A 1 .
ATOM 1445 C CG1  . ILE Axp A 92  ? 77.679  116.401 32.625 1 142.773 ? 207 A 1 .
ATOM 1446 C CG2  . ILE Axp A 92  ? 79.34   117.564 34.203 1 114.644 ? 207 A 1 .
ATOM 1447 C CD1  . ILE Axp A 92  ? 76.781  115.165 32.735 1 140.332 ? 207 A 1 .
ATOM 1448 H H    . ILE Axp A 92  ? 79.924  114.021 32.24  1 119.629 ? 207 A 1 c
ATOM 1449 H HA   . ILE Axp A 92  ? 80.255  116.748 31.741 1 120.063 ? 207 A 1 c
ATOM 1450 H HB   . ILE Axp A 92  ? 79.002  115.559 33.986 1 127.475 ? 207 A 1 c
ATOM 1451 H HG12 . ILE Axp A 92  ? 77.852  116.572 31.677 1 139.092 ? 207 A 1 c
ATOM 1452 H HG13 . ILE Axp A 92  ? 77.186  117.17  32.976 1 138.87  ? 207 A 1 c
ATOM 1453 H HG21 . ILE Axp A 92  ? 78.526  117.852 34.649 1 119.072 ? 207 A 1 c
ATOM 1454 H HG22 . ILE Axp A 92  ? 79.658  118.277 33.623 1 118.979 ? 207 A 1 c
ATOM 1455 H HG23 . ILE Axp A 92  ? 80.017  117.365 34.87  1 118.917 ? 207 A 1 c
ATOM 1456 H HD11 . ILE Axp A 92  ? 77.283  114.416 33.11  1 140.732 ? 207 A 1 c
ATOM 1457 H HD12 . ILE Axp A 92  ? 76.457  114.924 31.846 1 140.791 ? 207 A 1 c
ATOM 1458 H HD13 . ILE Axp A 92  ? 76.02   115.367 33.31  1 140.804 ? 207 A 1 c
ATOM 1459 N N    . ILE Axp A 93  ? 82.416  116.979 32.828 1 112.151 ? 208 A 1 .
ATOM 1460 C CA   . ILE Axp A 93  ? 83.566  117.253 33.665 1 106.258 ? 208 A 1 .
ATOM 1461 C C    . ILE Axp A 93  ? 83.467  118.696 34.113 1 100.017 ? 208 A 1 .
ATOM 1462 O O    . ILE Axp A 93  ? 83.286  119.597 33.283 1 80.3    ? 208 A 1 .
ATOM 1463 C CB   . ILE Axp A 93  ? 84.918  117.042 32.97  1 112.846 ? 208 A 1 .
ATOM 1464 C CG1  . ILE Axp A 93  ? 84.964  115.797 32.087 1 123.466 ? 208 A 1 .
ATOM 1465 C CG2  . ILE Axp A 93  ? 86.027  117.061 34.019 1 122.013 ? 208 A 1 .
ATOM 1466 C CD1  . ILE Axp A 93  ? 84.805  116.075 30.598 1 124.34  ? 208 A 1 .
ATOM 1467 H H    . ILE Axp A 93  ? 82.277  117.49  32.083 1 110.987 ? 208 A 1 c
ATOM 1468 H HA   . ILE Axp A 93  ? 83.525  116.675 34.449 1 107.208 ? 208 A 1 c
ATOM 1469 H HB   . ILE Axp A 93  ? 85.063  117.812 32.384 1 114.912 ? 208 A 1 c
ATOM 1470 H HG12 . ILE Axp A 93  ? 84.254  115.185 32.368 1 120.979 ? 208 A 1 c
ATOM 1471 H HG13 . ILE Axp A 93  ? 85.819  115.342 32.227 1 121.116 ? 208 A 1 c
ATOM 1472 H HG21 . ILE Axp A 93  ? 86.704  116.4   33.796 1 119.17  ? 208 A 1 c
ATOM 1473 H HG22 . ILE Axp A 93  ? 85.657  116.858 34.893 1 118.752 ? 208 A 1 c
ATOM 1474 H HG23 . ILE Axp A 93  ? 86.436  117.942 34.042 1 119.133 ? 208 A 1 c
ATOM 1475 H HD11 . ILE Axp A 93  ? 83.974  116.562 30.443 1 124.082 ? 208 A 1 c
ATOM 1476 H HD12 . ILE Axp A 93  ? 84.782  115.231 30.108 1 124.082 ? 208 A 1 c
ATOM 1477 H HD13 . ILE Axp A 93  ? 85.558  116.611 30.283 1 124.082 ? 208 A 1 c
ATOM 1478 N N    . ALA Axp A 94  ? 83.656  118.872 35.424 1 96.068  ? 209 A 1 .
ATOM 1479 C CA   . ALA Axp A 94  ? 83.593  120.185 36.034 1 97.818  ? 209 A 1 .
ATOM 1480 C C    . ALA Axp A 94  ? 84.834  120.421 36.87  1 91.822  ? 209 A 1 .
ATOM 1481 O O    . ALA Axp A 94  ? 85.307  119.535 37.57  1 92.636  ? 209 A 1 .
ATOM 1482 C CB   . ALA Axp A 94  ? 82.363  120.317 36.882 1 109.065 ? 209 A 1 .
ATOM 1483 H H    . ALA Axp A 94  ? 83.831  118.149 35.956 1 97.503  ? 209 A 1 c
ATOM 1484 H HA   . ALA Axp A 94  ? 83.565  120.868 35.31  1 98.211  ? 209 A 1 c
ATOM 1485 H HB3  . ALA Axp A 94  ? 82.341  121.199 37.291 1 105.714 ? 209 A 1 c
ATOM 1486 H HB2  . ALA Axp A 94  ? 82.372  119.64  37.58  1 105.608 ? 209 A 1 c
ATOM 1487 H HB1  . ALA Axp A 94  ? 81.571  120.199 36.331 1 105.608 ? 209 A 1 c
ATOM 1488 N N    . GLU Axp A 95  ? 85.362  121.63  36.738 1 95.395  ? 210 A 1 .
ATOM 1489 C CA   . GLU Axp A 95  ? 86.361  122.112 37.66  1 100.651 ? 210 A 1 .
ATOM 1490 C C    . GLU Axp A 95  ? 85.577  122.699 38.817 1 87.458  ? 210 A 1 .
ATOM 1491 O O    . GLU Axp A 95  ? 84.627  123.429 38.58  1 81.81   ? 210 A 1 .
ATOM 1492 C CB   . GLU Axp A 95  ? 87.274  123.109 36.949 1 110.432 ? 210 A 1 .
ATOM 1493 C CG   . GLU Axp A 95  ? 88.406  123.648 37.82  1 105.064 ? 210 A 1 .
ATOM 1494 C CD   . GLU Axp A 95  ? 88.168  125.015 38.436 1 101.745 ? 210 A 1 .
ATOM 1495 O OE1  . GLU Axp A 95  ? 87.049  125.6   38.39  1 104.294 ? 210 A 1 .
ATOM 1496 O OE2  . GLU Axp A 95  ? 89.205  125.517 38.927 1 95.98   ? 210 A 1 .
ATOM 1497 H H    . GLU Axp A 95  ? 85.093  122.172 36.053 1 95.819  ? 210 A 1 c
ATOM 1498 H HA   . GLU Axp A 95  ? 86.896  121.345 37.981 1 98.896  ? 210 A 1 c
ATOM 1499 H HB3  . GLU Axp A 95  ? 86.73   123.857 36.627 1 106.861 ? 210 A 1 c
ATOM 1500 H HB2  . GLU Axp A 95  ? 87.667  122.677 36.17  1 106.897 ? 210 A 1 c
ATOM 1501 H HG3  . GLU Axp A 95  ? 89.225  123.693 37.281 1 105.49  ? 210 A 1 c
ATOM 1502 H HG2  . GLU Axp A 95  ? 88.574  123.014 38.547 1 105.845 ? 210 A 1 c
ATOM 1503 N N    . ALA Axp A 96  ? 85.97   122.335 40.038 1 85.33   ? 211 A 1 .
ATOM 1504 C CA   . ALA Axp A 96  ? 85.242  122.713 41.233 1 97.335  ? 211 A 1 .
ATOM 1505 C C    . ALA Axp A 96  ? 86.138  123.507 42.183 1 97.395  ? 211 A 1 .
ATOM 1506 O O    . ALA Axp A 96  ? 87.341  123.606 42.005 1 106.16  ? 211 A 1 .
ATOM 1507 C CB   . ALA Axp A 96  ? 84.707  121.462 41.889 1 115.048 ? 211 A 1 .
ATOM 1508 H H    . ALA Axp A 96  ? 86.73   121.836 40.13  1 88.733  ? 211 A 1 c
ATOM 1509 H HA   . ALA Axp A 96  ? 84.477  123.295 40.968 1 97.675  ? 211 A 1 c
ATOM 1510 H HB3  . ALA Axp A 96  ? 84.111  121.704 42.618 1 109.443 ? 211 A 1 c
ATOM 1511 H HB2  . ALA Axp A 96  ? 85.444  120.935 42.239 1 109.467 ? 211 A 1 c
ATOM 1512 H HB1  . ALA Axp A 96  ? 84.217  120.935 41.236 1 109.467 ? 211 A 1 c
ATOM 1513 N N    . GLU Axp A 97  ? 85.539  124.063 43.229 1 104.705 ? 212 A 1 .
ATOM 1514 C CA   . GLU Axp A 97  ? 86.247  124.964 44.111 1 113.965 ? 212 A 1 .
ATOM 1515 C C    . GLU Axp A 97  ? 86.148  124.488 45.551 1 122.595 ? 212 A 1 .
ATOM 1516 O O    . GLU Axp A 97  ? 87.14   124.001 46.096 1 134.333 ? 212 A 1 .
ATOM 1517 C CB   . GLU Axp A 97  ? 85.674  126.372 44.01  1 135.807 ? 212 A 1 .
ATOM 1518 C CG   . GLU Axp A 97  ? 86.273  127.206 42.883 1 143.077 ? 212 A 1 .
ATOM 1519 C CD   . GLU Axp A 97  ? 86.287  128.675 43.268 1 173.198 ? 212 A 1 .
ATOM 1520 O OE1  . GLU Axp A 97  ? 85.283  129.154 43.864 1 189.552 ? 212 A 1 .
ATOM 1521 O OE2  . GLU Axp A 97  ? 87.29   129.348 42.946 1 199.86  ? 212 A 1 .
ATOM 1522 H H    . GLU Axp A 97  ? 84.66   123.877 43.399 1 104.942 ? 212 A 1 c
ATOM 1523 H HA   . GLU Axp A 97  ? 87.202  124.983 43.851 1 117.498 ? 212 A 1 c
ATOM 1524 H HB3  . GLU Axp A 97  ? 85.824  126.835 44.861 1 132.21  ? 212 A 1 c
ATOM 1525 H HB2  . GLU Axp A 97  ? 84.707  126.31  43.871 1 131.581 ? 212 A 1 c
ATOM 1526 H HG3  . GLU Axp A 97  ? 85.739  127.091 42.067 1 147.688 ? 212 A 1 c
ATOM 1527 H HG2  . GLU Axp A 97  ? 87.191  126.911 42.702 1 147.545 ? 212 A 1 c
ATOM 1528 N N    . ARG Axp A 98  ? 84.97   124.677 46.167 1 107.214 ? 213 A 1 .
ATOM 1529 C CA   . ARG Axp A 98  ? 84.783  124.252 47.546 1 127.661 ? 213 A 1 .
ATOM 1530 C C    . ARG Axp A 98  ? 84.798  122.718 47.605 1 151.046 ? 213 A 1 .
ATOM 1531 O O    . ARG Axp A 98  ? 84.572  122.017 46.603 1 123.992 ? 213 A 1 .
ATOM 1532 C CB   . ARG Axp A 98  ? 83.507  124.838 48.165 1 118.717 ? 213 A 1 .
ATOM 1533 C CG   . ARG Axp A 98  ? 83.124  126.232 47.685 1 113.656 ? 213 A 1 .
ATOM 1534 C CD   . ARG Axp A 98  ? 82.349  127.278 47.75  0 136.32  ? 213 A 1 .
ATOM 1535 N NE   . ARG Axp A 98  ? 82.456  128.652 47.234 0 148.79  ? 213 A 1 .
ATOM 1536 C CZ   . ARG Axp A 98  ? 81.478  129.547 47.305 0 156.79  ? 213 A 1 .
ATOM 1537 N NH1  . ARG Axp A 98  ? 80.313  129.214 47.842 0 160.46  ? 213 A 1 .
ATOM 1538 N NH2  . ARG Axp A 98  ? 81.666  130.772 46.838 0 160.43  ? 213 A 1 .
ATOM 1539 H H    . ARG Axp A 98  ? 84.269  125.049 45.715 1 115.378 ? 213 A 1 c
ATOM 1540 H HA   . ARG Axp A 98  ? 85.552  124.588 48.074 1 125.733 ? 213 A 1 c
ATOM 1541 H HB3  . ARG Axp A 98  ? 83.621  124.866 49.139 1 119.524 ? 213 A 1 c
ATOM 1542 H HB2  . ARG Axp A 98  ? 82.762  124.229 47.974 1 119.651 ? 213 A 1 c
ATOM 1543 H HG3  . ARG Axp A 98  ? 83.94   126.754 47.521 1 115.07  ? 213 A 1 c
ATOM 1544 H HG2  . ARG Axp A 98  ? 82.611  126.687 48.389 1 115.109 ? 213 A 1 c
ATOM 1545 H HD3  . ARG Axp A 98  ? 81.932  127.4   48.627 0 136.32  ? 213 A 1 c
ATOM 1546 H HD2  . ARG Axp A 98  ? 81.687  126.867 47.157 0 136.32  ? 213 A 1 c
ATOM 1547 H HE   . ARG Axp A 98  ? 83.204  128.896 46.859 0 148.79  ? 213 A 1 c
ATOM 1548 H HH11 . ARG Axp A 98  ? 80.19   128.395 48.152 0 160.46  ? 213 A 1 c
ATOM 1549 H HH12 . ARG Axp A 98  ? 79.664  129.812 47.888 0 160.46  ? 213 A 1 c
ATOM 1550 H HH21 . ARG Axp A 98  ? 82.444  130.991 46.48  0 160.43  ? 213 A 1 c
ATOM 1551 H HH22 . ARG Axp A 98  ? 81.013  131.366 46.887 0 160.43  ? 213 A 1 c
ATOM 1552 N N    . TYR Axp A 99  ? 85.1    122.192 48.799 1 151.441 ? 214 A 1 .
ATOM 1553 C CA   . TYR Axp A 99  ? 85.035  120.758 49.029 1 156.856 ? 214 A 1 .
ATOM 1554 C C    . TYR Axp A 99  ? 83.58   120.443 49.33  1 142.994 ? 214 A 1 .
ATOM 1555 O O    . TYR Axp A 99  ? 83.028  119.48  48.803 1 146.553 ? 214 A 1 .
ATOM 1556 C CB   . TYR Axp A 99  ? 85.96   120.251 50.144 1 166.042 ? 214 A 1 .
ATOM 1557 C CG   . TYR Axp A 99  ? 86.308  118.765 50.084 1 160.135 ? 214 A 1 .
ATOM 1558 C CD1  . TYR Axp A 99  ? 87.242  118.27  49.172 1 160.852 ? 214 A 1 .
ATOM 1559 C CD2  . TYR Axp A 99  ? 85.737  117.859 50.968 1 139.608 ? 214 A 1 .
ATOM 1560 C CE1  . TYR Axp A 99  ? 87.562  116.921 49.112 1 152.421 ? 214 A 1 .
ATOM 1561 C CE2  . TYR Axp A 99  ? 86.07   116.509 50.936 1 139.512 ? 214 A 1 .
ATOM 1562 C CZ   . TYR Axp A 99  ? 86.978  116.035 50     1 146.105 ? 214 A 1 .
ATOM 1563 O OH   . TYR Axp A 99  ? 87.312  114.708 49.946 1 120.343 ? 214 A 1 .
ATOM 1564 H H    . TYR Axp A 99  ? 85.361  122.739 49.483 1 151.96  ? 214 A 1 c
ATOM 1565 H HA   . TYR Axp A 99  ? 85.288  120.295 48.187 1 154.477 ? 214 A 1 c
ATOM 1566 H HB3  . TYR Axp A 99  ? 85.533  120.439 51.009 1 162.189 ? 214 A 1 c
ATOM 1567 H HB2  . TYR Axp A 99  ? 86.795  120.77  50.11  1 162.489 ? 214 A 1 c
ATOM 1568 H HD1  . TYR Axp A 99  ? 87.642  118.863 48.558 1 158.157 ? 214 A 1 c
ATOM 1569 H HD2  . TYR Axp A 99  ? 85.115  118.165 51.609 1 144.42  ? 214 A 1 c
ATOM 1570 H HE1  . TYR Axp A 99  ? 88.189  116.611 48.482 1 152.529 ? 214 A 1 c
ATOM 1571 H HE2  . TYR Axp A 99  ? 85.66   115.91  51.536 1 141.204 ? 214 A 1 c
ATOM 1572 H HH   . TYR Axp A 99  ? 88.213  114.731 48.989 0 142.87  ? 214 A 1 c
ATOM 1573 N N    . GLU Axp A 100 ? 82.952  121.322 50.119 1 124.345 ? 215 A 1 .
ATOM 1574 C CA   . GLU Axp A 100 ? 81.63   121.042 50.647 1 140.945 ? 215 A 1 .
ATOM 1575 C C    . GLU Axp A 100 ? 80.68   120.751 49.485 1 119.941 ? 215 A 1 .
ATOM 1576 O O    . GLU Axp A 100 ? 79.637  120.126 49.651 1 110.446 ? 215 A 1 .
ATOM 1577 C CB   . GLU Axp A 100 ? 81.191  122.205 51.542 1 165.266 ? 215 A 1 .
ATOM 1578 C CG   . GLU Axp A 100 ? 80.219  121.78  52.643 1 180.863 ? 215 A 1 .
ATOM 1579 C CD   . GLU Axp A 100 ? 79.94   122.81  53.724 1 167.593 ? 215 A 1 .
ATOM 1580 O OE1  . GLU Axp A 100 ? 80.918  123.428 54.2   1 140.729 ? 215 A 1 .
ATOM 1581 O OE2  . GLU Axp A 100 ? 78.756  122.981 54.103 1 149.71  ? 215 A 1 .
ATOM 1582 H H    . GLU Axp A 100 ? 83.358  122.111 50.336 1 133.127 ? 215 A 1 c
ATOM 1583 H HA   . GLU Axp A 100 ? 81.692  120.227 51.207 1 137.902 ? 215 A 1 c
ATOM 1584 H HB3  . GLU Axp A 100 ? 80.767  122.891 50.985 1 162.291 ? 215 A 1 c
ATOM 1585 H HB2  . GLU Axp A 100 ? 81.984  122.604 51.957 1 162.002 ? 215 A 1 c
ATOM 1586 H HG3  . GLU Axp A 100 ? 80.569  120.973 53.076 1 173.806 ? 215 A 1 c
ATOM 1587 H HG2  . GLU Axp A 100 ? 79.365  121.535 52.227 1 173.904 ? 215 A 1 c
ATOM 1588 N N    . ASN Axp A 101 ? 81.059  121.215 48.295 1 118.827 ? 216 A 1 .
ATOM 1589 C CA   . ASN Axp A 101 ? 80.171  121.196 47.151 1 107.707 ? 216 A 1 .
ATOM 1590 C C    . ASN Axp A 101 ? 80.358  119.918 46.378 1 98.29   ? 216 A 1 .
ATOM 1591 O O    . ASN Axp A 101 ? 79.382  119.399 45.879 1 116.043 ? 216 A 1 .
ATOM 1592 C CB   . ASN Axp A 101 ? 80.399  122.356 46.193 1 116.142 ? 216 A 1 .
ATOM 1593 C CG   . ASN Axp A 101 ? 79.829  123.649 46.723 1 117.578 ? 216 A 1 .
ATOM 1594 O OD1  . ASN Axp A 101 ? 79.075  123.658 47.709 1 107.915 ? 216 A 1 .
ATOM 1595 N ND2  . ASN Axp A 101 ? 80.189  124.746 46.076 1 97.24   ? 216 A 1 .
ATOM 1596 H H    . ASN Axp A 101 ? 81.886  121.59  48.195 1 116.86  ? 216 A 1 c
ATOM 1597 H HA   . ASN Axp A 101 ? 79.241  121.242 47.469 1 109.574 ? 216 A 1 c
ATOM 1598 H HB3  . ASN Axp A 101 ? 79.976  122.153 45.336 1 114.137 ? 216 A 1 c
ATOM 1599 H HB2  . ASN Axp A 101 ? 81.359  122.465 46.041 1 114.438 ? 216 A 1 c
ATOM 1600 H HD21 . ASN Axp A 101 ? 79.571  125.328 45.82  1 103.329 ? 216 A 1 c
ATOM 1601 H HD22 . ASN Axp A 101 ? 81.045  124.9   45.908 1 103.273 ? 216 A 1 c
ATOM 1602 N N    . ILE Axp A 102 ? 81.593  119.425 46.313 1 120.315 ? 217 A 1 .
ATOM 1603 C CA   . ILE Axp A 102 ? 81.941  118.326 45.424 1 137.274 ? 217 A 1 .
ATOM 1604 C C    . ILE Axp A 102 ? 80.767  117.348 45.333 1 125.152 ? 217 A 1 .
ATOM 1605 O O    . ILE Axp A 102 ? 80.279  117.058 44.235 1 105.584 ? 217 A 1 .
ATOM 1606 C CB   . ILE Axp A 102 ? 83.26   117.65  45.855 1 134.832 ? 217 A 1 .
ATOM 1607 C CG1  . ILE Axp A 102 ? 84.428  118.637 45.851 1 151.574 ? 217 A 1 .
ATOM 1608 C CG2  . ILE Axp A 102 ? 83.572  116.458 44.955 1 129.644 ? 217 A 1 .
ATOM 1609 C CD1  . ILE Axp A 102 ? 85.744  118.045 46.309 1 151.14  ? 217 A 1 .
ATOM 1610 H H    . ILE Axp A 102 ? 82.244  119.782 46.845 1 118.667 ? 217 A 1 c
ATOM 1611 H HA   . ILE Axp A 102 ? 82.082  118.702 44.534 1 130.476 ? 217 A 1 c
ATOM 1612 H HB   . ILE Axp A 102 ? 83.147  117.32  46.769 1 137.26  ? 217 A 1 c
ATOM 1613 H HG12 . ILE Axp A 102 ? 84.207  119.391 46.431 1 146.981 ? 217 A 1 c
ATOM 1614 H HG13 . ILE Axp A 102 ? 84.54   118.984 44.942 1 147.398 ? 217 A 1 c
ATOM 1615 H HG21 . ILE Axp A 102 ? 84.515  116.234 45.016 1 131.35  ? 217 A 1 c
ATOM 1616 H HG22 . ILE Axp A 102 ? 83.354  116.681 44.036 1 130.571 ? 217 A 1 c
ATOM 1617 H HG23 . ILE Axp A 102 ? 83.042  115.692 45.234 1 131.049 ? 217 A 1 c
ATOM 1618 H HD11 . ILE Axp A 102 ? 85.584  117.391 47.014 1 151.296 ? 217 A 1 c
ATOM 1619 H HD12 . ILE Axp A 102 ? 86.313  118.76  46.651 1 151.336 ? 217 A 1 c
ATOM 1620 H HD13 . ILE Axp A 102 ? 86.191  117.61  45.558 1 151.136 ? 217 A 1 c
ATOM 1621 N N    . GLU Axp A 103 ? 80.3    116.867 46.493 1 123.145 ? 218 A 1 .
ATOM 1622 C CA   . GLU Axp A 103 ? 79.184  115.934 46.536 1 128.285 ? 218 A 1 .
ATOM 1623 C C    . GLU Axp A 103 ? 78.015  116.483 45.709 1 109.353 ? 218 A 1 .
ATOM 1624 O O    . GLU Axp A 103 ? 77.702  115.93  44.653 1 69.77   ? 218 A 1 .
ATOM 1625 C CB   . GLU Axp A 103 ? 78.843  115.664 48     1 142.554 ? 218 A 1 .
ATOM 1626 C CG   . GLU Axp A 103 ? 77.758  114.606 48.173 1 159.885 ? 218 A 1 .
ATOM 1627 C CD   . GLU Axp A 103 ? 76.618  115.121 49.031 1 170.74  ? 218 A 1 .
ATOM 1628 O OE1  . GLU Axp A 103 ? 76.072  116.147 48.574 1 192.183 ? 218 A 1 .
ATOM 1629 O OE2  . GLU Axp A 103 ? 76.273  114.556 50.103 1 143.261 ? 218 A 1 .
ATOM 1630 H H    . GLU Axp A 103 ? 80.69   117.127 47.277 1 125.06  ? 218 A 1 c
ATOM 1631 H HA   . GLU Axp A 103 ? 79.482  115.082 46.125 1 125.565 ? 218 A 1 c
ATOM 1632 H HB3  . GLU Axp A 103 ? 78.566  116.503 48.422 1 142.829 ? 218 A 1 c
ATOM 1633 H HB2  . GLU Axp A 103 ? 79.653  115.355 48.458 1 142.743 ? 218 A 1 c
ATOM 1634 H HG3  . GLU Axp A 103 ? 78.143  113.81  48.599 1 158.056 ? 218 A 1 c
ATOM 1635 H HG2  . GLU Axp A 103 ? 77.406  114.345 47.296 1 157.669 ? 218 A 1 c
ATOM 1636 N N    . GLN Axp A 104 ? 77.418  117.594 46.181 1 113.801 ? 219 A 1 .
ATOM 1637 C CA   . GLN Axp A 104 ? 76.332  118.308 45.504 1 133.464 ? 219 A 1 .
ATOM 1638 C C    . GLN Axp A 104 ? 76.589  118.431 43.992 1 117.016 ? 219 A 1 .
ATOM 1639 O O    . GLN Axp A 104 ? 75.732  118.143 43.154 1 98.45   ? 219 A 1 .
ATOM 1640 C CB   . GLN Axp A 104 ? 76.138  119.671 46.197 1 128.13  ? 219 A 1 .
ATOM 1641 C CG   . GLN Axp A 104 ? 75.027  120.556 45.626 1 126.658 ? 219 A 1 .
ATOM 1642 C CD   . GLN Axp A 104 ? 73.663  119.886 45.607 1 146.946 ? 219 A 1 .
ATOM 1643 O OE1  . GLN Axp A 104 ? 73.021  119.673 46.649 1 135.036 ? 219 A 1 .
ATOM 1644 N NE2  . GLN Axp A 104 ? 73.202  119.541 44.408 1 135.452 ? 219 A 1 .
ATOM 1645 H H    . GLN Axp A 104 ? 77.716  117.933 46.975 1 117.435 ? 219 A 1 c
ATOM 1646 H HA   . GLN Axp A 104 ? 75.502  117.782 45.63  1 125.461 ? 219 A 1 c
ATOM 1647 H HB3  . GLN Axp A 104 ? 76.983  120.164 46.147 1 128.885 ? 219 A 1 c
ATOM 1648 H HB2  . GLN Axp A 104 ? 75.95   119.509 47.145 1 128.885 ? 219 A 1 c
ATOM 1649 H HG3  . GLN Axp A 104 ? 75.26   120.813 44.711 1 131.006 ? 219 A 1 c
ATOM 1650 H HG2  . GLN Axp A 104 ? 74.965  121.378 46.158 1 131.321 ? 219 A 1 c
ATOM 1651 H HE21 . GLN Axp A 104 ? 72.348  119.673 44.208 1 138.861 ? 219 A 1 c
ATOM 1652 H HE22 . GLN Axp A 104 ? 73.749  119.181 43.81  1 138.765 ? 219 A 1 c
ATOM 1653 N N    . LEU Axp A 105 ? 77.784  118.904 43.649 1 106.142 ? 220 A 1 .
ATOM 1654 C CA   . LEU Axp A 105 ? 78.202  119.03  42.271 1 92.71   ? 220 A 1 .
ATOM 1655 C C    . LEU Axp A 105 ? 77.959  117.747 41.52  1 94.766  ? 220 A 1 .
ATOM 1656 O O    . LEU Axp A 105 ? 77.477  117.778 40.394 1 95.564  ? 220 A 1 .
ATOM 1657 C CB   . LEU Axp A 105 ? 79.691  119.31  42.264 1 101.189 ? 220 A 1 .
ATOM 1658 C CG   . LEU Axp A 105 ? 80.033  120.789 42.173 1 100.715 ? 220 A 1 .
ATOM 1659 C CD1  . LEU Axp A 105 ? 81.188  121.004 43.155 1 93.977  ? 220 A 1 .
ATOM 1660 C CD2  . LEU Axp A 105 ? 80.301  121.103 40.685 1 92.701  ? 220 A 1 .
ATOM 1661 H H    . LEU Axp A 105 ? 78.358  119.172 44.308 1 105.477 ? 220 A 1 c
ATOM 1662 H HA   . LEU Axp A 105 ? 77.708  119.775 41.842 1 97.122  ? 220 A 1 c
ATOM 1663 H HB3  . LEU Axp A 105 ? 80.094  118.845 41.494 1 98.99   ? 220 A 1 c
ATOM 1664 H HB2  . LEU Axp A 105 ? 80.086  118.943 43.085 1 99.24   ? 220 A 1 c
ATOM 1665 H HG   . LEU Axp A 105 ? 79.251  121.317 42.478 1 97.994  ? 220 A 1 c
ATOM 1666 H HD11 . LEU Axp A 105 ? 80.938  120.67  44.029 1 96.524  ? 220 A 1 c
ATOM 1667 H HD12 . LEU Axp A 105 ? 81.388  121.953 43.218 1 96.096  ? 220 A 1 c
ATOM 1668 H HD13 . LEU Axp A 105 ? 81.975  120.528 42.841 1 96.061  ? 220 A 1 c
ATOM 1669 H HD21 . LEU Axp A 105 ? 79.575  120.753 40.142 1 95.032  ? 220 A 1 c
ATOM 1670 H HD22 . LEU Axp A 105 ? 81.137  120.69  40.411 1 95.006  ? 220 A 1 c
ATOM 1671 H HD23 . LEU Axp A 105 ? 80.361  122.065 40.562 1 94.986  ? 220 A 1 c
ATOM 1672 N N    . ARG Axp A 106 ? 78.378  116.645 42.139 1 95.5    ? 221 A 1 .
ATOM 1673 C CA   . ARG Axp A 106 ? 78.248  115.35  41.504 1 110.579 ? 221 A 1 .
ATOM 1674 C C    . ARG Axp A 106 ? 76.762  115.002 41.394 1 104.837 ? 221 A 1 .
ATOM 1675 O O    . ARG Axp A 106 ? 76.281  114.739 40.294 1 87.936  ? 221 A 1 .
ATOM 1676 C CB   . ARG Axp A 106 ? 79.131  114.342 42.245 1 116.603 ? 221 A 1 .
ATOM 1677 C CG   . ARG Axp A 106 ? 79.276  113.002 41.544 1 113.093 ? 221 A 1 .
ATOM 1678 C CD   . ARG Axp A 106 ? 80.235  112.103 42.291 1 119.771 ? 221 A 1 .
ATOM 1679 N NE   . ARG Axp A 106 ? 81.629  112.403 41.951 1 125.237 ? 221 A 1 .
ATOM 1680 C CZ   . ARG Axp A 106 ? 82.355  111.688 41.092 1 142.014 ? 221 A 1 .
ATOM 1681 N NH1  . ARG Axp A 106 ? 81.816  110.656 40.468 1 155.579 ? 221 A 1 .
ATOM 1682 N NH2  . ARG Axp A 106 ? 83.609  112.014 40.832 1 143.928 ? 221 A 1 .
ATOM 1683 H H    . ARG Axp A 106 ? 78.76   116.7   42.967 1 98.726  ? 221 A 1 c
ATOM 1684 H HA   . ARG Axp A 106 ? 78.606  115.425 40.587 1 107.336 ? 221 A 1 c
ATOM 1685 H HB3  . ARG Axp A 106 ? 78.754  114.189 43.137 1 114.102 ? 221 A 1 c
ATOM 1686 H HB2  . ARG Axp A 106 ? 80.023  114.733 42.363 1 114.347 ? 221 A 1 c
ATOM 1687 H HG3  . ARG Axp A 106 ? 79.611  113.144 40.633 1 115.445 ? 221 A 1 c
ATOM 1688 H HG2  . ARG Axp A 106 ? 78.399  112.564 41.489 1 115.35  ? 221 A 1 c
ATOM 1689 H HD3  . ARG Axp A 106 ? 80.039  111.168 42.077 1 119.773 ? 221 A 1 c
ATOM 1690 H HD2  . ARG Axp A 106 ? 80.107  112.223 43.254 1 119.484 ? 221 A 1 c
ATOM 1691 H HE   . ARG Axp A 106 ? 82.007  113.089 42.332 1 127.818 ? 221 A 1 c
ATOM 1692 H HH11 . ARG Axp A 106 ? 81.174  110.788 39.875 1 151.271 ? 221 A 1 c
ATOM 1693 H HH12 . ARG Axp A 106 ? 82.1    109.838 40.646 1 151.271 ? 221 A 1 c
ATOM 1694 H HH21 . ARG Axp A 106 ? 84.122  112.335 41.476 1 143.357 ? 221 A 1 c
ATOM 1695 H HH22 . ARG Axp A 106 ? 83.93   111.909 40.015 1 143.422 ? 221 A 1 c
ATOM 1696 N N    . MET Axp A 107 ? 76.04   115.035 42.526 1 111.058 ? 222 A 1 .
ATOM 1697 C CA   . MET Axp A 107 ? 74.616  114.705 42.564 1 116.005 ? 222 A 1 .
ATOM 1698 C C    . MET Axp A 107 ? 73.923  115.369 41.371 1 101.446 ? 222 A 1 .
ATOM 1699 O O    . MET Axp A 107 ? 73.066  114.764 40.733 1 90.671  ? 222 A 1 .
ATOM 1700 C CB   . MET Axp A 107 ? 73.95   115.148 43.885 1 117.973 ? 222 A 1 .
ATOM 1701 C CG   . MET Axp A 107 ? 73.075  114.079 44.567 1 121.04  ? 222 A 1 .
ATOM 1702 S SD   . MET Axp A 107 ? 71.747  113.347 43.578 1 123.261 ? 222 A 1 .
ATOM 1703 C CE   . MET Axp A 107 ? 71.716  111.625 44.112 1 131.043 ? 222 A 1 .
ATOM 1704 H H    . MET Axp A 107 ? 76.455  115.267 43.307 1 110.629 ? 222 A 1 c
ATOM 1705 H HA   . MET Axp A 107 ? 74.527  113.723 42.467 1 112.645 ? 222 A 1 c
ATOM 1706 H HB3  . MET Axp A 107 ? 73.395  115.937 43.704 1 118.078 ? 222 A 1 c
ATOM 1707 H HB2  . MET Axp A 107 ? 74.653  115.421 44.511 1 118.083 ? 222 A 1 c
ATOM 1708 H HG3  . MET Axp A 107 ? 72.671  114.475 45.362 1 120.745 ? 222 A 1 c
ATOM 1709 H HG2  . MET Axp A 107 ? 73.657  113.354 44.871 1 120.728 ? 222 A 1 c
ATOM 1710 H HE3  . MET Axp A 107 ? 71.567  111.587 45.075 1 129.063 ? 222 A 1 c
ATOM 1711 H HE2  . MET Axp A 107 ? 72.568  111.203 43.898 1 129.063 ? 222 A 1 c
ATOM 1712 H HE1  . MET Axp A 107 ? 70.995  111.156 43.653 1 129.063 ? 222 A 1 c
ATOM 1713 N N    . ALA Axp A 108 ? 74.32   116.622 41.098 1 111.048 ? 223 A 1 .
ATOM 1714 C CA   . ALA Axp A 108 ? 73.747  117.471 40.065 1 96.714  ? 223 A 1 .
ATOM 1715 C C    . ALA Axp A 108 ? 73.882  116.845 38.681 1 97.465  ? 223 A 1 .
ATOM 1716 O O    . ALA Axp A 108 ? 73.258  117.303 37.73  1 105.447 ? 223 A 1 .
ATOM 1717 C CB   . ALA Axp A 108 ? 74.414  118.835 40.113 1 88.869  ? 223 A 1 .
ATOM 1718 H H    . ALA Axp A 108 ? 74.988  116.976 41.611 1 105.179 ? 223 A 1 c
ATOM 1719 H HA   . ALA Axp A 108 ? 72.775  117.58  40.26  1 97.976  ? 223 A 1 c
ATOM 1720 H HB3  . ALA Axp A 108 ? 73.871  119.48  39.628 1 91.164  ? 223 A 1 c
ATOM 1721 H HB2  . ALA Axp A 108 ? 75.293  118.785 39.702 1 91.209  ? 223 A 1 c
ATOM 1722 H HB1  . ALA Axp A 108 ? 74.505  119.124 41.036 1 91.266  ? 223 A 1 c
ATOM 1723 N N    . GLY Axp A 109 ? 74.716  115.815 38.553 1 105.805 ? 224 A 1 .
ATOM 1724 C CA   . GLY Axp A 109 ? 74.857  115.131 37.28  1 118.558 ? 224 A 1 .
ATOM 1725 C C    . GLY Axp A 109 ? 76.293  115.155 36.766 1 116.575 ? 224 A 1 .
ATOM 1726 O O    . GLY Axp A 109 ? 76.53   114.662 35.663 1 119.566 ? 224 A 1 .
ATOM 1727 H H    . GLY Axp A 109 ? 75.206  115.527 39.267 1 106.335 ? 224 A 1 c
ATOM 1728 H HA3  . GLY Axp A 109 ? 74.266  115.554 36.615 1 114.773 ? 224 A 1 c
ATOM 1729 H HA2  . GLY Axp A 109 ? 74.566  114.196 37.388 1 114.91  ? 224 A 1 c
ATOM 1730 N N    . ALA Axp A 110 ? 77.22   115.712 37.568 1 99.185  ? 225 A 1 .
ATOM 1731 C CA   . ALA Axp A 110 ? 78.641  115.744 37.238 1 113.159 ? 225 A 1 .
ATOM 1732 C C    . ALA Axp A 110 ? 79.251  114.347 37.298 1 120.968 ? 225 A 1 .
ATOM 1733 O O    . ALA Axp A 110 ? 78.897  113.572 38.18  1 128.66  ? 225 A 1 .
ATOM 1734 C CB   . ALA Axp A 110 ? 79.382  116.676 38.174 1 118.532 ? 225 A 1 .
ATOM 1735 H H    . ALA Axp A 110 ? 76.954  116.095 38.353 1 106.423 ? 225 A 1 c
ATOM 1736 H HA   . ALA Axp A 110 ? 78.732  116.082 36.307 1 112.909 ? 225 A 1 c
ATOM 1737 H HB3  . ALA Axp A 110 ? 80.227  116.938 37.772 1 116.846 ? 225 A 1 c
ATOM 1738 H HB2  . ALA Axp A 110 ? 79.555  116.227 39.017 1 116.792 ? 225 A 1 c
ATOM 1739 H HB1  . ALA Axp A 110 ? 78.847  117.47  38.336 1 116.68  ? 225 A 1 c
ATOM 1740 N N    . ASP Axp A 111 ? 80.188  114.052 36.379 1 125.757 ? 226 A 1 .
ATOM 1741 C CA   . ASP Axp A 111 ? 80.896  112.774 36.354 1 113.047 ? 226 A 1 .
ATOM 1742 C C    . ASP Axp A 111 ? 82.27   112.92  37.02  1 116.494 ? 226 A 1 .
ATOM 1743 O O    . ASP Axp A 111 ? 82.609  112.146 37.921 1 93.329  ? 226 A 1 .
ATOM 1744 C CB   . ASP Axp A 111 ? 80.976  112.207 34.946 1 100.895 ? 226 A 1 .
ATOM 1745 C CG   . ASP Axp A 111 ? 79.643  112.079 34.227 1 111.485 ? 226 A 1 .
ATOM 1746 O OD1  . ASP Axp A 111 ? 78.795  111.279 34.684 1 114.735 ? 226 A 1 .
ATOM 1747 O OD2  . ASP Axp A 111 ? 79.462  112.786 33.222 1 115.958 ? 226 A 1 .
ATOM 1748 H H    . ASP Axp A 111 ? 80.395  114.674 35.742 1 121.509 ? 226 A 1 c
ATOM 1749 H HA   . ASP Axp A 111 ? 80.374  112.127 36.88  1 113.568 ? 226 A 1 c
ATOM 1750 H HB3  . ASP Axp A 111 ? 81.375  111.314 34.997 1 105.96  ? 226 A 1 c
ATOM 1751 H HB2  . ASP Axp A 111 ? 81.57   112.766 34.406 1 105.949 ? 226 A 1 c
ATOM 1752 N N    . GLN Axp A 112 ? 83.049  113.928 36.584 1 114.428 ? 227 A 1 .
ATOM 1753 C CA   . GLN Axp A 112 ? 84.321  114.234 37.218 1 107.179 ? 227 A 1 .
ATOM 1754 C C    . GLN Axp A 112 ? 84.359  115.673 37.738 1 102.401 ? 227 A 1 .
ATOM 1755 O O    . GLN Axp A 112 ? 84.122  116.632 36.995 1 85.183  ? 227 A 1 .
ATOM 1756 C CB   . GLN Axp A 112 ? 85.469  114.017 36.243 1 110.958 ? 227 A 1 .
ATOM 1757 C CG   . GLN Axp A 112 ? 86.796  113.749 36.939 1 103.686 ? 227 A 1 .
ATOM 1758 C CD   . GLN Axp A 112 ? 86.911  112.303 37.342 1 108.527 ? 227 A 1 .
ATOM 1759 O OE1  . GLN Axp A 112 ? 86.504  111.416 36.585 1 95.901  ? 227 A 1 .
ATOM 1760 N NE2  . GLN Axp A 112 ? 87.433  112.058 38.536 1 126.464 ? 227 A 1 .
ATOM 1761 H H    . GLN Axp A 112 ? 82.778  114.433 35.872 1 113.305 ? 227 A 1 c
ATOM 1762 H HA   . GLN Axp A 112 ? 84.444  113.619 37.984 1 108.02  ? 227 A 1 c
ATOM 1763 H HB3  . GLN Axp A 112 ? 85.56   114.81  35.678 1 108.353 ? 227 A 1 c
ATOM 1764 H HB2  . GLN Axp A 112 ? 85.251  113.26  35.66  1 108.347 ? 227 A 1 c
ATOM 1765 H HG3  . GLN Axp A 112 ? 86.868  114.311 37.737 1 106.667 ? 227 A 1 c
ATOM 1766 H HG2  . GLN Axp A 112 ? 87.536  113.979 36.337 1 106.449 ? 227 A 1 c
ATOM 1767 H HE21 . GLN Axp A 112 ? 88.077  111.453 38.622 1 120.612 ? 227 A 1 c
ATOM 1768 H HE22 . GLN Axp A 112 ? 87.138  112.497 39.248 1 120.524 ? 227 A 1 c
ATOM 1769 N N    . VAL Axp A 113 ? 84.667  115.787 39.038 1 86.822  ? 228 A 1 .
ATOM 1770 C CA   . VAL Axp A 113 ? 85.029  117.046 39.665 1 108.567 ? 228 A 1 .
ATOM 1771 C C    . VAL Axp A 113 ? 86.544  117.199 39.46  1 134.641 ? 228 A 1 .
ATOM 1772 O O    . VAL Axp A 113 ? 87.108  116.386 38.727 1 120.318 ? 228 A 1 .
ATOM 1773 C CB   . VAL Axp A 113 ? 84.578  117.093 41.147 1 109.565 ? 228 A 1 .
ATOM 1774 C CG1  . VAL Axp A 113 ? 83.052  117.191 41.301 1 95.122  ? 228 A 1 .
ATOM 1775 C CG2  . VAL Axp A 113 ? 85.146  115.933 41.966 1 116.06  ? 228 A 1 .
ATOM 1776 H H    . VAL Axp A 113 ? 84.64   115.036 39.557 1 95.553  ? 228 A 1 c
ATOM 1777 H HA   . VAL Axp A 113 ? 84.579  117.767 39.186 1 107.961 ? 228 A 1 c
ATOM 1778 H HB   . VAL Axp A 113 ? 84.952  117.92  41.53  1 107.942 ? 228 A 1 c
ATOM 1779 H HG11 . VAL Axp A 113 ? 82.672  116.299 41.364 1 99.413  ? 228 A 1 c
ATOM 1780 H HG12 . VAL Axp A 113 ? 82.677  117.646 40.528 1 99.348  ? 228 A 1 c
ATOM 1781 H HG13 . VAL Axp A 113 ? 82.838  117.692 42.105 1 99.426  ? 228 A 1 c
ATOM 1782 H HG21 . VAL Axp A 113 ? 85.769  116.278 42.627 1 114.024 ? 228 A 1 c
ATOM 1783 H HG22 . VAL Axp A 113 ? 85.609  115.313 41.381 1 113.792 ? 228 A 1 c
ATOM 1784 H HG23 . VAL Axp A 113 ? 84.424  115.466 42.419 1 113.971 ? 228 A 1 c
ATOM 1785 N N    . ILE Axp A 114 ? 87.2    118.223 40.064 1 134.827 ? 229 A 1 .
ATOM 1786 C CA   . ILE Axp A 114 ? 88.647  118.372 39.931 1 116.602 ? 229 A 1 .
ATOM 1787 C C    . ILE Axp A 114 ? 89.278  119.141 41.105 1 101.215 ? 229 A 1 .
ATOM 1788 O O    . ILE Axp A 114 ? 90.434  118.881 41.432 1 104.095 ? 229 A 1 .
ATOM 1789 C CB   . ILE Axp A 114 ? 88.981  118.976 38.549 1 128.338 ? 229 A 1 .
ATOM 1790 C CG1  . ILE Axp A 114 ? 89.992  118.135 37.779 1 117.562 ? 229 A 1 .
ATOM 1791 C CG2  . ILE Axp A 114 ? 89.435  120.427 38.633 1 147.914 ? 229 A 1 .
ATOM 1792 C CD1  . ILE Axp A 114 ? 89.39   116.937 37.075 1 130.438 ? 229 A 1 .
ATOM 1793 H H    . ILE Axp A 114 ? 86.729  118.834 40.554 1 129.382 ? 229 A 1 c
ATOM 1794 H HA   . ILE Axp A 114 ? 89.026  117.472 39.948 1 119.006 ? 229 A 1 c
ATOM 1795 H HB   . ILE Axp A 114 ? 88.154  118.97  38.028 1 127.481 ? 229 A 1 c
ATOM 1796 H HG12 . ILE Axp A 114 ? 90.68   117.822 38.401 1 122.827 ? 229 A 1 c
ATOM 1797 H HG13 . ILE Axp A 114 ? 90.429  118.703 37.112 1 122.96  ? 229 A 1 c
ATOM 1798 H HG21 . ILE Axp A 114 ? 89.457  120.812 37.741 1 141.417 ? 229 A 1 c
ATOM 1799 H HG22 . ILE Axp A 114 ? 90.325  120.467 39.021 1 141.22  ? 229 A 1 c
ATOM 1800 H HG23 . ILE Axp A 114 ? 88.814  120.93  39.184 1 140.258 ? 229 A 1 c
ATOM 1801 H HD11 . ILE Axp A 114 ? 89.351  116.181 37.691 1 126.445 ? 229 A 1 c
ATOM 1802 H HD12 . ILE Axp A 114 ? 89.949  116.7   36.311 1 126.468 ? 229 A 1 c
ATOM 1803 H HD13 . ILE Axp A 114 ? 88.49   117.149 36.762 1 126.459 ? 229 A 1 c
ATOM 1804 N N    . SER Axp A 115 ? 88.574  120.128 41.678 1 97.379  ? 230 A 1 .
ATOM 1805 C CA   . SER Axp A 115 ? 88.902  120.753 42.966 1 118.906 ? 230 A 1 .
ATOM 1806 C C    . SER Axp A 115 ? 90.337  121.288 43.123 1 123.225 ? 230 A 1 .
ATOM 1807 O O    . SER Axp A 115 ? 90.903  121.147 44.213 1 91.999  ? 230 A 1 .
ATOM 1808 C CB   . SER Axp A 115 ? 88.577  119.793 44.098 1 123.207 ? 230 A 1 .
ATOM 1809 O OG   . SER Axp A 115 ? 89.423  118.65  44.11  1 121.773 ? 230 A 1 .
ATOM 1810 H H    . SER Axp A 115 ? 87.842  120.443 41.233 1 103.42  ? 230 A 1 c
ATOM 1811 H HA   . SER Axp A 115 ? 88.297  121.53  43.065 1 115.832 ? 230 A 1 c
ATOM 1812 H HB3  . SER Axp A 115 ? 87.65   119.501 44.009 1 121.934 ? 230 A 1 c
ATOM 1813 H HB2  . SER Axp A 115 ? 88.657  120.26  44.946 1 122.151 ? 230 A 1 c
ATOM 1814 H HG   . SER Axp A 115 ? 89.076  118.366 44.844 0 131.16  ? 230 A 1 c
ATOM 1815 N N    . PRO Axp A 116 ? 90.947  122.013 42.138 1 146.597 ? 231 A 1 .
ATOM 1816 C CA   . PRO Axp A 116 ? 92.373  122.334 42.186 1 148.871 ? 231 A 1 .
ATOM 1817 C C    . PRO Axp A 116 ? 92.705  123.329 43.285 1 119.672 ? 231 A 1 .
ATOM 1818 O O    . PRO Axp A 116 ? 93.854  123.453 43.719 1 107.349 ? 231 A 1 .
ATOM 1819 C CB   . PRO Axp A 116 ? 92.668  122.928 40.821 1 138.395 ? 231 A 1 .
ATOM 1820 C CG   . PRO Axp A 116 ? 91.349  123.635 40.537 1 142.543 ? 231 A 1 .
ATOM 1821 C CD   . PRO Axp A 116 ? 90.3    122.67  40.991 1 144.046 ? 231 A 1 .
ATOM 1822 H HA   . PRO Axp A 116 ? 92.891  121.514 42.315 1 139.505 ? 231 A 1 c
ATOM 1823 H HB3  . PRO Axp A 116 ? 92.857  122.227 40.172 1 141.544 ? 231 A 1 c
ATOM 1824 H HB2  . PRO Axp A 116 ? 93.412  123.56  40.857 1 141.474 ? 231 A 1 c
ATOM 1825 H HG3  . PRO Axp A 116 ? 91.248  123.833 39.587 1 141.773 ? 231 A 1 c
ATOM 1826 H HG2  . PRO Axp A 116 ? 91.287  124.471 41.038 1 141.286 ? 231 A 1 c
ATOM 1827 H HD3  . PRO Axp A 116 ? 89.488  123.131 41.267 1 143.978 ? 231 A 1 c
ATOM 1828 H HD2  . PRO Axp A 116 ? 90.087  122.029 40.301 1 144.194 ? 231 A 1 c
ATOM 1829 N N    . PHE Axp A 117 ? 91.657  124.037 43.696 1 95.966  ? 232 A 1 .
ATOM 1830 C CA   . PHE Axp A 117 ? 91.651  124.685 44.989 1 141.026 ? 232 A 1 .
ATOM 1831 C C    . PHE Axp A 117 ? 92.291  123.759 46.023 1 145.426 ? 232 A 1 .
ATOM 1832 O O    . PHE Axp A 117 ? 93.438  123.975 46.423 1 172.425 ? 232 A 1 .
ATOM 1833 C CB   . PHE Axp A 117 ? 90.208  125.045 45.368 1 158.927 ? 232 A 1 .
ATOM 1834 C CG   . PHE Axp A 117 ? 90.072  126.507 45.756 1 139.102 ? 232 A 1 .
ATOM 1835 C CD1  . PHE Axp A 117 ? 90.527  126.944 46.982 1 108.076 ? 232 A 1 .
ATOM 1836 C CD2  . PHE Axp A 117 ? 89.543  127.443 44.867 1 148.797 ? 232 A 1 .
ATOM 1837 C CE1  . PHE Axp A 117 ? 90.448  128.279 47.318 1 140.57  ? 232 A 1 .
ATOM 1838 C CE2  . PHE Axp A 117 ? 89.446  128.78  45.217 1 143.105 ? 232 A 1 .
ATOM 1839 C CZ   . PHE Axp A 117 ? 89.897  129.195 46.446 1 155.928 ? 232 A 1 .
ATOM 1840 H H    . PHE Axp A 117 ? 90.932  124.137 43.151 1 112.078 ? 232 A 1 c
ATOM 1841 H HA   . PHE Axp A 117 ? 92.187  125.52  44.929 1 134.268 ? 232 A 1 c
ATOM 1842 H HB3  . PHE Axp A 117 ? 89.923  124.486 46.125 1 149.667 ? 232 A 1 c
ATOM 1843 H HB2  . PHE Axp A 117 ? 89.618  124.858 44.605 1 149.198 ? 232 A 1 c
ATOM 1844 H HD1  . PHE Axp A 117 ? 90.901  126.33  47.577 1 122.637 ? 232 A 1 c
ATOM 1845 H HD2  . PHE Axp A 117 ? 89.231  127.158 44.023 1 145.049 ? 232 A 1 c
ATOM 1846 H HE1  . PHE Axp A 117 ? 90.752  128.562 48.151 1 135.525 ? 232 A 1 c
ATOM 1847 H HE2  . PHE Axp A 117 ? 89.077  129.402 44.614 1 147.374 ? 232 A 1 c
ATOM 1848 H HZ   . PHE Axp A 117 ? 89.838  130.105 46.69  1 148.768 ? 232 A 1 c
ATOM 1849 N N    . VAL Axp A 118 ? 91.546  122.7   46.387 1 135.141 ? 233 A 1 .
ATOM 1850 C CA   . VAL Axp A 118 ? 91.82   121.88  47.559 1 123.641 ? 233 A 1 .
ATOM 1851 C C    . VAL Axp A 118 ? 93.25   121.366 47.484 1 108.098 ? 233 A 1 .
ATOM 1852 O O    . VAL Axp A 118 ? 93.913  121.216 48.516 1 76.902  ? 233 A 1 .
ATOM 1853 C CB   . VAL Axp A 118 ? 90.859  120.683 47.661 1 149.54  ? 233 A 1 .
ATOM 1854 C CG1  . VAL Axp A 118 ? 90.962  120.005 49.031 1 175.084 ? 233 A 1 .
ATOM 1855 C CG2  . VAL Axp A 118 ? 89.416  121.061 47.331 1 147.359 ? 233 A 1 .
ATOM 1856 H H    . VAL Axp A 118 ? 90.852  122.46  45.844 1 135.369 ? 233 A 1 c
ATOM 1857 H HA   . VAL Axp A 118 ? 91.724  122.434 48.358 1 127.267 ? 233 A 1 c
ATOM 1858 H HB   . VAL Axp A 118 ? 91.149  120.024 46.987 1 147.975 ? 233 A 1 c
ATOM 1859 H HG11 . VAL Axp A 118 ? 91.006  120.683 49.727 1 166.727 ? 233 A 1 c
ATOM 1860 H HG12 . VAL Axp A 118 ? 91.763  119.456 49.063 1 166.71  ? 233 A 1 c
ATOM 1861 H HG13 . VAL Axp A 118 ? 90.18   119.445 49.175 1 166.88  ? 233 A 1 c
ATOM 1862 H HG21 . VAL Axp A 118 ? 88.867  120.26  47.319 1 147.771 ? 233 A 1 c
ATOM 1863 H HG22 . VAL Axp A 118 ? 89.377  121.488 46.462 1 147.509 ? 233 A 1 c
ATOM 1864 H HG23 . VAL Axp A 118 ? 89.079  121.673 48.006 1 147.859 ? 233 A 1 c
ATOM 1865 N N    . ILE Axp A 119 ? 93.656  121.092 46.231 1 106.065 ? 234 A 1 .
ATOM 1866 C CA   . ILE Axp A 119 ? 94.971  120.586 45.861 1 93.602  ? 234 A 1 .
ATOM 1867 C C    . ILE Axp A 119 ? 96.04   121.546 46.379 1 103.017 ? 234 A 1 .
ATOM 1868 O O    . ILE Axp A 119 ? 96.845  121.18  47.252 1 75.238  ? 234 A 1 .
ATOM 1869 C CB   . ILE Axp A 119 ? 95.04   120.379 44.33  1 79.625  ? 234 A 1 .
ATOM 1870 C CG1  . ILE Axp A 119 ? 94.071  119.256 43.876 1 75.462  ? 234 A 1 .
ATOM 1871 C CG2  . ILE Axp A 119 ? 96.471  120.113 43.87  1 80.299  ? 234 A 1 .
ATOM 1872 C CD1  . ILE Axp A 119 ? 94.035  118.934 42.39  1 66.224  ? 234 A 1 .
ATOM 1873 H H    . ILE Axp A 119 ? 93.054  121.22  45.556 1 103.268 ? 234 A 1 c
ATOM 1874 H HA   . ILE Axp A 119 ? 95.097  119.72  46.294 1 94.787  ? 234 A 1 c
ATOM 1875 H HB   . ILE Axp A 119 ? 94.744  121.207 43.907 1 81.781  ? 234 A 1 c
ATOM 1876 H HG12 . ILE Axp A 119 ? 93.166  119.503 44.153 1 74.433  ? 234 A 1 c
ATOM 1877 H HG13 . ILE Axp A 119 ? 94.309  118.438 44.358 1 74.172  ? 234 A 1 c
ATOM 1878 H HG21 . ILE Axp A 119 ? 96.461  119.671 43.005 1 79.971  ? 234 A 1 c
ATOM 1879 H HG22 . ILE Axp A 119 ? 96.921  119.543 44.516 1 80.246  ? 234 A 1 c
ATOM 1880 H HG23 . ILE Axp A 119 ? 96.951  120.955 43.794 1 80.195  ? 234 A 1 c
ATOM 1881 H HD11 . ILE Axp A 119 ? 94.357  119.701 41.88  1 69.253  ? 234 A 1 c
ATOM 1882 H HD12 . ILE Axp A 119 ? 93.12   118.729 42.123 1 68.925  ? 234 A 1 c
ATOM 1883 H HD13 . ILE Axp A 119 ? 94.606  118.163 42.209 1 68.925  ? 234 A 1 c
ATOM 1884 N N    . SER Axp A 120 ? 95.995  122.78  45.848 1 112.339 ? 235 A 1 .
ATOM 1885 C CA   . SER Axp A 120 ? 97.002  123.794 46.123 1 106.84  ? 235 A 1 .
ATOM 1886 C C    . SER Axp A 120 ? 97.176  123.987 47.629 1 95.619  ? 235 A 1 .
ATOM 1887 O O    . SER Axp A 120 ? 98.268  123.799 48.154 1 101.57  ? 235 A 1 .
ATOM 1888 C CB   . SER Axp A 120 ? 96.673  125.083 45.403 1 101.854 ? 235 A 1 .
ATOM 1889 O OG   . SER Axp A 120 ? 96.898  124.922 44.005 1 89.547  ? 235 A 1 .
ATOM 1890 H H    . SER Axp A 120 ? 95.301  122.997 45.293 1 108.135 ? 235 A 1 c
ATOM 1891 H HA   . SER Axp A 120 ? 97.863  123.461 45.764 1 104.755 ? 235 A 1 c
ATOM 1892 H HB3  . SER Axp A 120 ? 97.236  125.803 45.746 1 99.829  ? 235 A 1 c
ATOM 1893 H HB2  . SER Axp A 120 ? 95.738  125.316 45.56  1 99.889  ? 235 A 1 c
ATOM 1894 H HG   . SER Axp A 120 ? 96.655  125.645 43.598 0 123.05  ? 235 A 1 c
ATOM 1895 N N    . GLY Axp A 121 ? 96.084  124.319 48.316 1 105.8   ? 236 A 1 .
ATOM 1896 C CA   . GLY Axp A 121 ? 96.075  124.488 49.761 1 131.029 ? 236 A 1 .
ATOM 1897 C C    . GLY Axp A 121 ? 96.921  123.45  50.504 1 139.251 ? 236 A 1 .
ATOM 1898 O O    . GLY Axp A 121 ? 97.691  123.796 51.4   1 134.011 ? 236 A 1 .
ATOM 1899 H H    . GLY Axp A 121 ? 95.302  124.449 47.861 1 108.398 ? 236 A 1 c
ATOM 1900 H HA3  . GLY Axp A 121 ? 95.144  124.433 50.08  1 126.174 ? 236 A 1 c
ATOM 1901 H HA2  . GLY Axp A 121 ? 96.41   125.39  49.975 1 126.175 ? 236 A 1 c
ATOM 1902 N N    . ARG Axp A 122 ? 96.771  122.173 50.139 1 143.698 ? 237 A 1 .
ATOM 1903 C CA   . ARG Axp A 122 ? 97.544  121.111 50.77  1 143.223 ? 237 A 1 .
ATOM 1904 C C    . ARG Axp A 122 ? 99.01   121.239 50.352 1 126.137 ? 237 A 1 .
ATOM 1905 O O    . ARG Axp A 122 ? 99.911  121.37  51.188 1 116.186 ? 237 A 1 .
ATOM 1906 C CB   . ARG Axp A 122 ? 96.96   119.724 50.446 1 162.718 ? 237 A 1 .
ATOM 1907 C CG   . ARG Axp A 122 ? 95.793  119.259 51.316 1 184.748 ? 237 A 1 .
ATOM 1908 C CD   . ARG Axp A 122 ? 95.376  117.788 51.151 1 179.525 ? 237 A 1 .
ATOM 1909 N NE   . ARG Axp A 122 ? 96.526  116.873 51.072 1 197.904 ? 237 A 1 .
ATOM 1910 C CZ   . ARG Axp A 122 ? 97.13   116.232 52.082 1 161.517 ? 237 A 1 .
ATOM 1911 N NH1  . ARG Axp A 122 ? 96.681  116.367 53.314 1 143.472 ? 237 A 1 .
ATOM 1912 N NH2  . ARG Axp A 122 ? 98.193  115.469 51.857 1 139.546 ? 237 A 1 .
ATOM 1913 H H    . ARG Axp A 122 ? 96.171  121.956 49.484 1 142.16  ? 237 A 1 c
ATOM 1914 H HA   . ARG Axp A 122 ? 97.492  121.237 51.752 1 143.443 ? 237 A 1 c
ATOM 1915 H HB3  . ARG Axp A 122 ? 97.683  119.066 50.522 1 162.506 ? 237 A 1 c
ATOM 1916 H HB2  . ARG Axp A 122 ? 96.666  119.726 49.511 1 161.873 ? 237 A 1 c
ATOM 1917 H HG3  . ARG Axp A 122 ? 95.015  119.825 51.121 1 178.258 ? 237 A 1 c
ATOM 1918 H HG2  . ARG Axp A 122 ? 96.025  119.412 52.256 1 178.054 ? 237 A 1 c
ATOM 1919 H HD3  . ARG Axp A 122 ? 94.84   117.7   50.336 1 184.79  ? 237 A 1 c
ATOM 1920 H HD2  . ARG Axp A 122 ? 94.812  117.533 51.908 1 184.376 ? 237 A 1 c
ATOM 1921 H HE   . ARG Axp A 122 ? 96.853  116.728 50.278 1 183.68  ? 237 A 1 c
ATOM 1922 H HH11 . ARG Axp A 122 ? 95.861  116.104 53.514 1 149.058 ? 237 A 1 c
ATOM 1923 H HH12 . ARG Axp A 122 ? 97.203  116.719 53.935 1 148.862 ? 237 A 1 c
ATOM 1924 H HH21 . ARG Axp A 122 ? 98.691  115.609 51.14  1 146.219 ? 237 A 1 c
ATOM 1925 H HH22 . ARG Axp A 122 ? 98.398  114.824 52.426 1 146.014 ? 237 A 1 c
ATOM 1926 N N    . LEU Axp A 123 ? 99.244  121.22  49.035 1 114.211 ? 238 A 1 .
ATOM 1927 C CA   . LEU Axp A 123 ? 100.603 121.248 48.518 1 95.511  ? 238 A 1 .
ATOM 1928 C C    . LEU Axp A 123 ? 101.447 122.182 49.358 1 101.001 ? 238 A 1 .
ATOM 1929 O O    . LEU Axp A 123 ? 102.48  121.776 49.876 1 100.673 ? 238 A 1 .
ATOM 1930 C CB   . LEU Axp A 123 ? 100.607 121.637 47.049 1 74.235  ? 238 A 1 .
ATOM 1931 C CG   . LEU Axp A 123 ? 100.418 120.406 46.172 1 82.759  ? 238 A 1 .
ATOM 1932 C CD1  . LEU Axp A 123 ? 99.87   120.588 44.774 1 80.892  ? 238 A 1 .
ATOM 1933 C CD2  . LEU Axp A 123 ? 101.797 119.75  46.171 1 95.531  ? 238 A 1 .
ATOM 1934 H H    . LEU Axp A 123 ? 98.544  121.181 48.448 1 112.079 ? 238 A 1 c
ATOM 1935 H HA   . LEU Axp A 123 ? 100.977 120.338 48.613 1 95.26   ? 238 A 1 c
ATOM 1936 H HB3  . LEU Axp A 123 ? 101.467 122.065 46.832 1 80.955  ? 238 A 1 c
ATOM 1937 H HB2  . LEU Axp A 123 ? 99.868  122.265 46.883 1 81.112  ? 238 A 1 c
ATOM 1938 H HG   . LEU Axp A 123 ? 99.801  119.792 46.647 1 83.082  ? 238 A 1 c
ATOM 1939 H HD11 . LEU Axp A 123 ? 99.135  121.224 44.793 1 81.441  ? 238 A 1 c
ATOM 1940 H HD12 . LEU Axp A 123 ? 99.55   119.735 44.437 1 81.441  ? 238 A 1 c
ATOM 1941 H HD13 . LEU Axp A 123 ? 100.572 120.923 44.191 1 81.441  ? 238 A 1 c
ATOM 1942 H HD21 . LEU Axp A 123 ? 101.965 119.337 47.033 1 91.721  ? 238 A 1 c
ATOM 1943 H HD22 . LEU Axp A 123 ? 102.48  120.419 45.994 1 91.384  ? 238 A 1 c
ATOM 1944 H HD23 . LEU Axp A 123 ? 101.829 119.069 45.478 1 91.425  ? 238 A 1 c
ATOM 1945 N N    . MET Axp A 124 ? 100.916 123.392 49.525 1 104.724 ? 239 A 1 .
ATOM 1946 C CA   . MET Axp A 124 ? 101.635 124.494 50.119 1 117.908 ? 239 A 1 .
ATOM 1947 C C    . MET Axp A 124 ? 101.745 124.249 51.622 1 119.704 ? 239 A 1 .
ATOM 1948 O O    . MET Axp A 124 ? 102.829 124.365 52.205 1 119.458 ? 239 A 1 .
ATOM 1949 C CB   . MET Axp A 124 ? 100.935 125.81  49.745 1 125.426 ? 239 A 1 .
ATOM 1950 C CG   . MET Axp A 124 ? 100.806 126.028 48.221 1 127.989 ? 239 A 1 .
ATOM 1951 S SD   . MET Axp A 124 ? 100.092 127.608 47.702 1 124.884 ? 239 A 1 .
ATOM 1952 C CE   . MET Axp A 124 ? 98.436  127.429 48.384 1 147.128 ? 239 A 1 .
ATOM 1953 H H    . MET Axp A 124 ? 100.056 123.535 49.251 1 107.113 ? 239 A 1 c
ATOM 1954 H HA   . MET Axp A 124 ? 102.551 124.499 49.741 1 116.652 ? 239 A 1 c
ATOM 1955 H HB3  . MET Axp A 124 ? 101.44  126.556 50.133 1 124.28  ? 239 A 1 c
ATOM 1956 H HB2  . MET Axp A 124 ? 100.039 125.813 50.145 1 124.439 ? 239 A 1 c
ATOM 1957 H HG3  . MET Axp A 124 ? 100.259 125.313 47.847 1 126.319 ? 239 A 1 c
ATOM 1958 H HG2  . MET Axp A 124 ? 101.695 125.952 47.821 1 126.688 ? 239 A 1 c
ATOM 1959 H HE3  . MET Axp A 124 ? 98.486  127.404 49.358 1 141.028 ? 239 A 1 c
ATOM 1960 H HE2  . MET Axp A 124 ? 98.038  126.601 48.058 1 140.903 ? 239 A 1 c
ATOM 1961 H HE1  . MET Axp A 124 ? 97.887  128.185 48.107 1 141.125 ? 239 A 1 c
ATOM 1962 N N    . SER Axp A 125 ? 100.625 123.855 52.233 1 120.387 ? 240 A 1 .
ATOM 1963 C CA   . SER Axp A 125 ? 100.658 123.44  53.624 1 139.213 ? 240 A 1 .
ATOM 1964 C C    . SER Axp A 125 ? 101.817 122.469 53.822 1 134.674 ? 240 A 1 .
ATOM 1965 O O    . SER Axp A 125 ? 102.594 122.615 54.772 1 106.717 ? 240 A 1 .
ATOM 1966 C CB   . SER Axp A 125 ? 99.35   122.822 54.045 1 165.003 ? 240 A 1 .
ATOM 1967 O OG   . SER Axp A 125 ? 99.472  122.225 55.329 1 168.768 ? 240 A 1 .
ATOM 1968 H H    . SER Axp A 125 ? 99.829  123.851 51.783 1 124.277 ? 240 A 1 c
ATOM 1969 H HA   . SER Axp A 125 ? 100.823 124.242 54.183 1 138.826 ? 240 A 1 c
ATOM 1970 H HB3  . SER Axp A 125 ? 99.085  122.146 53.395 1 159.306 ? 240 A 1 c
ATOM 1971 H HB2  . SER Axp A 125 ? 98.66   123.511 54.07  1 159.549 ? 240 A 1 c
ATOM 1972 H HG   . SER Axp A 125 ? 98.678  121.701 55.423 0 127.07  ? 240 A 1 c
ATOM 1973 N N    . ARG Axp A 126 ? 101.91  121.514 52.874 1 137.284 ? 241 A 1 .
ATOM 1974 C CA   . ARG Axp A 126 ? 102.877 120.425 52.896 1 125.051 ? 241 A 1 .
ATOM 1975 C C    . ARG Axp A 126 ? 104.265 120.931 52.485 1 122.207 ? 241 A 1 .
ATOM 1976 O O    . ARG Axp A 126 ? 105.271 120.462 53.023 1 110.796 ? 241 A 1 .
ATOM 1977 C CB   . ARG Axp A 126 ? 102.425 119.228 52.035 1 124.871 ? 241 A 1 .
ATOM 1978 C CG   . ARG Axp A 126 ? 101.457 118.255 52.701 1 139.374 ? 241 A 1 .
ATOM 1979 C CD   . ARG Axp A 126 ? 101.311 116.867 52.025 1 141.803 ? 241 A 1 .
ATOM 1980 N NE   . ARG Axp A 126 ? 102.429 115.914 52.16  1 144.944 ? 241 A 1 .
ATOM 1981 C CZ   . ARG Axp A 126 ? 102.844 115.267 53.267 1 146.461 ? 241 A 1 .
ATOM 1982 N NH1  . ARG Axp A 126 ? 102.304 115.513 54.444 1 152.415 ? 241 A 1 .
ATOM 1983 N NH2  . ARG Axp A 126 ? 103.821 114.371 53.214 1 146.773 ? 241 A 1 .
ATOM 1984 H H    . ARG Axp A 126 ? 101.318 121.54  52.179 1 133.35  ? 241 A 1 c
ATOM 1985 H HA   . ARG Axp A 126 ? 102.942 120.103 53.831 1 126.772 ? 241 A 1 c
ATOM 1986 H HB3  . ARG Axp A 126 ? 103.223 118.729 51.759 1 128.039 ? 241 A 1 c
ATOM 1987 H HB2  . ARG Axp A 126 ? 102.002 119.575 51.221 1 127.962 ? 241 A 1 c
ATOM 1988 H HG3  . ARG Axp A 126 ? 100.571 118.675 52.739 1 136.422 ? 241 A 1 c
ATOM 1989 H HG2  . ARG Axp A 126 ? 101.744 118.117 53.63  1 136.368 ? 241 A 1 c
ATOM 1990 H HD3  . ARG Axp A 126 ? 101.144 117.018 51.074 1 141.69  ? 241 A 1 c
ATOM 1991 H HD2  . ARG Axp A 126 ? 100.506 116.451 52.393 1 141.945 ? 241 A 1 c
ATOM 1992 H HE   . ARG Axp A 126 ? 102.881 115.744 51.436 1 144.438 ? 241 A 1 c
ATOM 1993 H HH11 . ARG Axp A 126 ? 101.429 115.444 54.548 1 150.509 ? 241 A 1 c
ATOM 1994 H HH12 . ARG Axp A 126 ? 102.819 115.746 55.124 1 150.546 ? 241 A 1 c
ATOM 1995 H HH21 . ARG Axp A 126 ? 104.531 114.525 52.71  1 146.677 ? 241 A 1 c
ATOM 1996 H HH22 . ARG Axp A 126 ? 103.757 113.624 53.682 1 146.677 ? 241 A 1 c
ATOM 1997 N N    . SER Axp A 127 ? 104.322 121.907 51.563 1 119.45  ? 242 A 1 .
ATOM 1998 C CA   . SER Axp A 127 ? 105.567 122.252 50.889 1 105.635 ? 242 A 1 .
ATOM 1999 C C    . SER Axp A 127 ? 106.341 123.323 51.641 1 98.234  ? 242 A 1 .
ATOM 2000 O O    . SER Axp A 127 ? 107.085 124.06  51.007 1 90.648  ? 242 A 1 .
ATOM 2001 C CB   . SER Axp A 127 ? 105.323 122.688 49.469 1 99.226  ? 242 A 1 .
ATOM 2002 O OG   . SER Axp A 127 ? 104.909 121.573 48.688 1 118.345 ? 242 A 1 .
ATOM 2003 H H    . SER Axp A 127 ? 103.563 122.364 51.341 1 116.728 ? 242 A 1 c
ATOM 2004 H HA   . SER Axp A 127 ? 106.131 121.438 50.861 1 105.623 ? 242 A 1 c
ATOM 2005 H HB3  . SER Axp A 127 ? 106.142 123.062 49.092 1 104.843 ? 242 A 1 c
ATOM 2006 H HB2  . SER Axp A 127 ? 104.631 123.376 49.452 1 105.052 ? 242 A 1 c
ATOM 2007 H HG   . SER Axp A 127 ? 104.805 121.92  47.885 0 123.55  ? 242 A 1 c
ATOM 2008 N N    . ILE Axp A 128 ? 106.189 123.373 52.973 1 102.458 ? 243 A 1 .
ATOM 2009 C CA   . ILE Axp A 128 ? 106.898 124.345 53.794 1 101.1   ? 243 A 1 .
ATOM 2010 C C    . ILE Axp A 128 ? 108.398 124.049 53.84  1 111.287 ? 243 A 1 .
ATOM 2011 O O    . ILE Axp A 128 ? 109.202 124.951 53.613 1 107.958 ? 243 A 1 .
ATOM 2012 C CB   . ILE Axp A 128 ? 106.299 124.419 55.208 1 93.272  ? 243 A 1 .
ATOM 2013 C CG1  . ILE Axp A 128 ? 104.905 125.044 55.167 1 97.798  ? 243 A 1 .
ATOM 2014 C CG2  . ILE Axp A 128 ? 107.246 125.154 56.171 1 87.878  ? 243 A 1 .
ATOM 2015 C CD1  . ILE Axp A 128 ? 104.418 125.561 56.512 1 111.132 ? 243 A 1 .
ATOM 2016 H H    . ILE Axp A 128 ? 105.631 122.78  53.386 1 101.309 ? 243 A 1 c
ATOM 2017 H HA   . ILE Axp A 128 ? 106.781 125.222 53.378 1 101.587 ? 243 A 1 c
ATOM 2018 H HB   . ILE Axp A 128 ? 106.2   123.502 55.533 1 94.516  ? 243 A 1 c
ATOM 2019 H HG12 . ILE Axp A 128 ? 104.271 124.376 54.839 1 99.673  ? 243 A 1 c
ATOM 2020 H HG13 . ILE Axp A 128 ? 104.911 125.788 54.53  1 99.66   ? 243 A 1 c
ATOM 2021 H HG21 . ILE Axp A 128 ? 106.93  125.047 57.084 1 89.724  ? 243 A 1 c
ATOM 2022 H HG22 . ILE Axp A 128 ? 107.268 126.099 55.947 1 89.555  ? 243 A 1 c
ATOM 2023 H HG23 . ILE Axp A 128 ? 108.141 124.785 56.1   1 89.815  ? 243 A 1 c
ATOM 2024 H HD11 . ILE Axp A 128 ? 104.615 124.906 57.208 1 106.767 ? 243 A 1 c
ATOM 2025 H HD12 . ILE Axp A 128 ? 103.454 125.709 56.472 1 106.939 ? 243 A 1 c
ATOM 2026 H HD13 . ILE Axp A 128 ? 104.864 126.403 56.724 1 106.865 ? 243 A 1 c
ATOM 2027 N N    . ASP Axp A 129 ? 108.773 122.809 54.178 1 118.613 ? 244 A 1 .
ATOM 2028 C CA   . ASP Axp A 129 ? 110.168 122.468 54.421 1 119.378 ? 244 A 1 .
ATOM 2029 C C    . ASP Axp A 129 ? 110.869 122.184 53.095 1 113.608 ? 244 A 1 .
ATOM 2030 O O    . ASP Axp A 129 ? 112.017 122.585 52.899 1 104.006 ? 244 A 1 .
ATOM 2031 C CB   . ASP Axp A 129 ? 110.282 121.354 55.451 1 120.77  ? 244 A 1 .
ATOM 2032 C CG   . ASP Axp A 129 ? 109.828 121.767 56.841 1 118.254 ? 244 A 1 .
ATOM 2033 O OD1  . ASP Axp A 129 ? 109.782 122.995 57.078 1 113.747 ? 244 A 1 .
ATOM 2034 O OD2  . ASP Axp A 129 ? 109.479 120.868 57.644 1 126.989 ? 244 A 1 .
ATOM 2035 H H    . ASP Axp A 129 ? 108.139 122.155 54.261 1 116.808 ? 244 A 1 c
ATOM 2036 H HA   . ASP Axp A 129 ? 110.604 123.253 54.822 1 118.276 ? 244 A 1 c
ATOM 2037 H HB3  . ASP Axp A 129 ? 111.216 121.061 55.503 1 119.872 ? 244 A 1 c
ATOM 2038 H HB2  . ASP Axp A 129 ? 109.738 120.592 55.16  1 119.872 ? 244 A 1 c
ATOM 2039 N N    . ASP Axp A 130 ? 110.172 121.5   52.183 1 105.905 ? 245 A 1 .
ATOM 2040 C CA   . ASP Axp A 130 ? 110.715 121.267 50.856 1 119.22  ? 245 A 1 .
ATOM 2041 C C    . ASP Axp A 130 ? 109.586 121.05  49.854 1 118.594 ? 245 A 1 .
ATOM 2042 O O    . ASP Axp A 130 ? 108.571 120.401 50.123 1 136.173 ? 245 A 1 .
ATOM 2043 C CB   . ASP Axp A 130 ? 111.733 120.14  50.857 1 134.153 ? 245 A 1 .
ATOM 2044 C CG   . ASP Axp A 130 ? 111.308 118.894 51.62  1 143.04  ? 245 A 1 .
ATOM 2045 O OD1  . ASP Axp A 130 ? 110.263 118.318 51.221 1 96.468  ? 245 A 1 .
ATOM 2046 O OD2  . ASP Axp A 130 ? 112.025 118.522 52.592 1 137.487 ? 245 A 1 .
ATOM 2047 H H    . ASP Axp A 130 ? 109.349 121.164 52.393 1 110.763 ? 245 A 1 c
ATOM 2048 H HA   . ASP Axp A 130 ? 111.204 122.077 50.586 1 118.685 ? 245 A 1 c
ATOM 2049 H HB3  . ASP Axp A 130 ? 112.567 120.472 51.251 1 132.509 ? 245 A 1 c
ATOM 2050 H HB2  . ASP Axp A 130 ? 111.919 119.886 49.93  1 132.343 ? 245 A 1 c
ATOM 2051 N N    . GLY Axp A 131 ? 109.792 121.61  48.667 1 99.584  ? 246 A 1 .
ATOM 2052 C CA   . GLY Axp A 131 ? 108.795 121.511 47.628 1 109.033 ? 246 A 1 .
ATOM 2053 C C    . GLY Axp A 131 ? 109.034 120.27  46.782 1 111.864 ? 246 A 1 .
ATOM 2054 O O    . GLY Axp A 131 ? 108.488 120.197 45.672 1 86.366  ? 246 A 1 .
ATOM 2055 H H    . GLY Axp A 131 ? 110.57  122.059 48.497 1 106.164 ? 246 A 1 c
ATOM 2056 H HA3  . GLY Axp A 131 ? 108.84  122.312 47.059 1 107.348 ? 246 A 1 c
ATOM 2057 H HA2  . GLY Axp A 131 ? 107.897 121.473 48.033 1 107.527 ? 246 A 1 c
ATOM 2058 N N    . TYR Axp A 132 ? 109.856 119.333 47.311 1 112.224 ? 247 A 1 .
ATOM 2059 C CA   . TYR Axp A 132 ? 110.086 118.047 46.655 1 100.114 ? 247 A 1 .
ATOM 2060 C C    . TYR Axp A 132 ? 108.722 117.518 46.195 1 92.825  ? 247 A 1 .
ATOM 2061 O O    . TYR Axp A 132 ? 108.516 117.235 45.016 1 77.059  ? 247 A 1 .
ATOM 2062 C CB   . TYR Axp A 132 ? 110.864 117.03  47.505 1 82.752  ? 247 A 1 .
ATOM 2063 C CG   . TYR Axp A 132 ? 112.292 117.387 47.935 1 92.472  ? 247 A 1 .
ATOM 2064 C CD1  . TYR Axp A 132 ? 113.272 117.778 47.029 1 95.049  ? 247 A 1 .
ATOM 2065 C CD2  . TYR Axp A 132 ? 112.69  117.285 49.266 1 114.056 ? 247 A 1 .
ATOM 2066 C CE1  . TYR Axp A 132 ? 114.568 118.088 47.437 1 93.781  ? 247 A 1 .
ATOM 2067 C CE2  . TYR Axp A 132 ? 113.981 117.583 49.686 1 108.082 ? 247 A 1 .
ATOM 2068 C CZ   . TYR Axp A 132 ? 114.925 118.004 48.774 1 99.688  ? 247 A 1 .
ATOM 2069 O OH   . TYR Axp A 132 ? 116.165 118.297 49.291 1 95.308  ? 247 A 1 .
ATOM 2070 H H    . TYR Axp A 132 ? 110.292 119.503 48.094 1 109.171 ? 247 A 1 c
ATOM 2071 H HA   . TYR Axp A 132 ? 110.626 118.225 45.84  1 97.493  ? 247 A 1 c
ATOM 2072 H HB3  . TYR Axp A 132 ? 110.899 116.186 47.004 1 88.685  ? 247 A 1 c
ATOM 2073 H HB2  . TYR Axp A 132 ? 110.337 116.852 48.315 1 88.875  ? 247 A 1 c
ATOM 2074 H HD1  . TYR Axp A 132 ? 113.048 117.858 46.116 1 94.222  ? 247 A 1 c
ATOM 2075 H HD2  . TYR Axp A 132 ? 112.059 117.007 49.908 1 106.853 ? 247 A 1 c
ATOM 2076 H HE1  . TYR Axp A 132 ? 115.202 118.375 46.802 1 95.521  ? 247 A 1 c
ATOM 2077 H HE2  . TYR Axp A 132 ? 114.204 117.524 50.599 1 107.013 ? 247 A 1 c
ATOM 2078 H HH   . TYR Axp A 132 ? 116.706 118.362 48.423 0 110.07  ? 247 A 1 c
ATOM 2079 N N    . GLU Axp A 133 ? 107.744 117.473 47.101 1 102.034 ? 248 A 1 .
ATOM 2080 C CA   . GLU Axp A 133 ? 106.404 117.08  46.702 1 110.792 ? 248 A 1 .
ATOM 2081 C C    . GLU Axp A 133 ? 105.941 117.961 45.549 1 99.406  ? 248 A 1 .
ATOM 2082 O O    . GLU Axp A 133 ? 105.57  117.443 44.482 1 87.354  ? 248 A 1 .
ATOM 2083 C CB   . GLU Axp A 133 ? 105.396 117.189 47.843 1 125.158 ? 248 A 1 .
ATOM 2084 C CG   . GLU Axp A 133 ? 103.988 116.786 47.412 1 121.291 ? 248 A 1 .
ATOM 2085 C CD   . GLU Axp A 133 ? 103.127 116.342 48.577 1 118.774 ? 248 A 1 .
ATOM 2086 O OE1  . GLU Axp A 133 ? 103.597 115.484 49.36  1 130.375 ? 248 A 1 .
ATOM 2087 O OE2  . GLU Axp A 133 ? 101.991 116.839 48.686 1 98.42   ? 248 A 1 .
ATOM 2088 H H    . GLU Axp A 133 ? 107.911 117.684 47.975 1 101.807 ? 248 A 1 c
ATOM 2089 H HA   . GLU Axp A 133 ? 106.431 116.143 46.392 1 109.151 ? 248 A 1 c
ATOM 2090 H HB3  . GLU Axp A 133 ? 105.39  118.108 48.181 1 120.432 ? 248 A 1 c
ATOM 2091 H HB2  . GLU Axp A 133 ? 105.682 116.603 48.57  1 120.812 ? 248 A 1 c
ATOM 2092 H HG3  . GLU Axp A 133 ? 104.045 116.053 46.764 1 121.409 ? 248 A 1 c
ATOM 2093 H HG2  . GLU Axp A 133 ? 103.553 117.548 46.972 1 121.06  ? 248 A 1 c
ATOM 2094 N N    . ALA Axp A 134 ? 105.986 119.283 45.797 1 86.528  ? 249 A 1 .
ATOM 2095 C CA   . ALA Axp A 134 ? 105.541 120.27  44.821 1 87.039  ? 249 A 1 .
ATOM 2096 C C    . ALA Axp A 134 ? 106.185 120.007 43.464 1 97.099  ? 249 A 1 .
ATOM 2097 O O    . ALA Axp A 134 ? 105.459 119.846 42.46  1 60.703  ? 249 A 1 .
ATOM 2098 C CB   . ALA Axp A 134 ? 105.857 121.663 45.282 1 75.873  ? 249 A 1 .
ATOM 2099 H H    . ALA Axp A 134 ? 106.3   119.575 46.604 1 90.04   ? 249 A 1 c
ATOM 2100 H HA   . ALA Axp A 134 ? 104.553 120.179 44.718 1 86.288  ? 249 A 1 c
ATOM 2101 H HB3  . ALA Axp A 134 ? 105.216 122.285 44.9   1 79.188  ? 249 A 1 c
ATOM 2102 H HB2  . ALA Axp A 134 ? 106.752 121.911 44.996 1 79.389  ? 249 A 1 c
ATOM 2103 H HB1  . ALA Axp A 134 ? 105.807 121.708 46.251 1 79.421  ? 249 A 1 c
ATOM 2104 N N    . MET Axp A 135 ? 107.534 119.918 43.503 1 90.939  ? 250 A 1 .
ATOM 2105 C CA   . MET Axp A 135 ? 108.381 119.712 42.336 1 80.613  ? 250 A 1 .
ATOM 2106 C C    . MET Axp A 135 ? 107.765 118.655 41.418 1 78.043  ? 250 A 1 .
ATOM 2107 O O    . MET Axp A 135 ? 107.475 118.907 40.245 1 79.891  ? 250 A 1 .
ATOM 2108 C CB   . MET Axp A 135 ? 109.804 119.279 42.728 1 74.222  ? 250 A 1 .
ATOM 2109 C CG   . MET Axp A 135 ? 110.841 120.379 42.757 1 80.434  ? 250 A 1 .
ATOM 2110 S SD   . MET Axp A 135 ? 111.302 121.001 44.39  1 92.595  ? 250 A 1 .
ATOM 2111 C CE   . MET Axp A 135 ? 113.051 120.606 44.488 1 84.06   ? 250 A 1 .
ATOM 2112 H H    . MET Axp A 135 ? 107.944 119.997 44.315 1 89.526  ? 250 A 1 c
ATOM 2113 H HA   . MET Axp A 135 ? 108.425 120.566 41.836 1 80.907  ? 250 A 1 c
ATOM 2114 H HB3  . MET Axp A 135 ? 110.102 118.59  42.097 1 77.087  ? 250 A 1 c
ATOM 2115 H HB2  . MET Axp A 135 ? 109.767 118.865 43.616 1 77.266  ? 250 A 1 c
ATOM 2116 H HG3  . MET Axp A 135 ? 110.512 121.133 42.229 1 81.03   ? 250 A 1 c
ATOM 2117 H HG2  . MET Axp A 135 ? 111.652 120.051 42.319 1 81.03   ? 250 A 1 c
ATOM 2118 H HE3  . MET Axp A 135 ? 113.502 120.933 43.688 1 86.131  ? 250 A 1 c
ATOM 2119 H HE2  . MET Axp A 135 ? 113.163 119.64  44.552 1 86.173  ? 250 A 1 c
ATOM 2120 H HE1  . MET Axp A 135 ? 113.437 121.032 45.276 1 86.131  ? 250 A 1 c
ATOM 2121 N N    . PHE Axp A 136 ? 107.559 117.459 41.971 1 73.554  ? 251 A 1 .
ATOM 2122 C CA   . PHE Axp A 136 ? 107.062 116.364 41.162 1 81.959  ? 251 A 1 .
ATOM 2123 C C    . PHE Axp A 136 ? 105.771 116.798 40.476 1 83.928  ? 251 A 1 .
ATOM 2124 O O    . PHE Axp A 136 ? 105.616 116.602 39.256 1 75.674  ? 251 A 1 .
ATOM 2125 C CB   . PHE Axp A 136 ? 106.842 115.127 42.025 1 77.668  ? 251 A 1 .
ATOM 2126 C CG   . PHE Axp A 136 ? 105.988 114.071 41.34  1 73.231  ? 251 A 1 .
ATOM 2127 C CD1  . PHE Axp A 136 ? 104.608 114.227 41.19  1 68.085  ? 251 A 1 .
ATOM 2128 C CD2  . PHE Axp A 136 ? 106.562 112.891 40.886 1 82.36   ? 251 A 1 .
ATOM 2129 C CE1  . PHE Axp A 136 ? 103.828 113.222 40.619 1 79.103  ? 251 A 1 .
ATOM 2130 C CE2  . PHE Axp A 136 ? 105.78  111.887 40.299 1 86.226  ? 251 A 1 .
ATOM 2131 C CZ   . PHE Axp A 136 ? 104.417 112.056 40.157 1 86.031  ? 251 A 1 .
ATOM 2132 H H    . PHE Axp A 136 ? 107.731 117.323 42.858 1 76.55   ? 251 A 1 c
ATOM 2133 H HA   . PHE Axp A 136 ? 107.739 116.152 40.466 1 79.806  ? 251 A 1 c
ATOM 2134 H HB3  . PHE Axp A 136 ? 106.404 115.4   42.862 1 77.583  ? 251 A 1 c
ATOM 2135 H HB2  . PHE Axp A 136 ? 107.711 114.737 42.249 1 77.632  ? 251 A 1 c
ATOM 2136 H HD1  . PHE Axp A 136 ? 104.19  115.007 41.517 1 72.137  ? 251 A 1 c
ATOM 2137 H HD2  . PHE Axp A 136 ? 107.492 112.76  40.985 1 80.903  ? 251 A 1 c
ATOM 2138 H HE1  . PHE Axp A 136 ? 102.898 113.35  40.517 1 77.965  ? 251 A 1 c
ATOM 2139 H HE2  . PHE Axp A 136 ? 106.191 111.097 39.985 1 85.035  ? 251 A 1 c
ATOM 2140 H HZ   . PHE Axp A 136 ? 103.894 111.386 39.748 1 84.203  ? 251 A 1 c
ATOM 2141 N N    . VAL Axp A 137 ? 104.879 117.391 41.291 1 85.904  ? 252 A 1 .
ATOM 2142 C CA   . VAL Axp A 137 ? 103.549 117.778 40.845 1 102.643 ? 252 A 1 .
ATOM 2143 C C    . VAL Axp A 137 ? 103.703 118.85  39.766 1 108.008 ? 252 A 1 .
ATOM 2144 O O    . VAL Axp A 137 ? 103.074 118.817 38.688 1 77.814  ? 252 A 1 .
ATOM 2145 C CB   . VAL Axp A 137 ? 102.695 118.3   42.016 1 91      ? 252 A 1 .
ATOM 2146 C CG1  . VAL Axp A 137 ? 101.212 118.264 41.652 1 97.027  ? 252 A 1 .
ATOM 2147 C CG2  . VAL Axp A 137 ? 102.967 117.55  43.314 1 82.243  ? 252 A 1 .
ATOM 2148 H H    . VAL Axp A 137 ? 105.124 117.576 42.151 1 88.614  ? 252 A 1 c
ATOM 2149 H HA   . VAL Axp A 137 ? 103.115 117.001 40.462 1 98.512  ? 252 A 1 c
ATOM 2150 H HB   . VAL Axp A 137 ? 102.942 119.243 42.159 1 92.265  ? 252 A 1 c
ATOM 2151 H HG11 . VAL Axp A 137 ? 100.878 117.356 41.747 1 95.382  ? 252 A 1 c
ATOM 2152 H HG12 . VAL Axp A 137 ? 101.093 118.558 40.734 1 95.535  ? 252 A 1 c
ATOM 2153 H HG13 . VAL Axp A 137 ? 100.718 118.853 42.247 1 95.308  ? 252 A 1 c
ATOM 2154 H HG21 . VAL Axp A 137 ? 102.13  117.405 43.786 1 84.974  ? 252 A 1 c
ATOM 2155 H HG22 . VAL Axp A 137 ? 103.561 118.077 43.871 1 84.919  ? 252 A 1 c
ATOM 2156 H HG23 . VAL Axp A 137 ? 103.377 116.691 43.12  1 84.943  ? 252 A 1 c
ATOM 2157 N N    . GLN Axp A 138 ? 104.601 119.782 40.096 1 89.733  ? 253 A 1 .
ATOM 2158 C CA   . GLN Axp A 138 ? 104.944 120.89  39.231 1 84.394  ? 253 A 1 .
ATOM 2159 C C    . GLN Axp A 138 ? 105.388 120.357 37.87  1 90.283  ? 253 A 1 .
ATOM 2160 O O    . GLN Axp A 138 ? 105.177 121.018 36.862 1 104.363 ? 253 A 1 .
ATOM 2161 C CB   . GLN Axp A 138 ? 106.02  121.728 39.931 1 96.42   ? 253 A 1 .
ATOM 2162 C CG   . GLN Axp A 138 ? 105.507 122.643 41.04  1 91.715  ? 253 A 1 .
ATOM 2163 C CD   . GLN Axp A 138 ? 104.638 123.786 40.542 1 100.197 ? 253 A 1 .
ATOM 2164 O OE1  . GLN Axp A 138 ? 105.12  124.913 40.373 1 99.312  ? 253 A 1 .
ATOM 2165 N NE2  . GLN Axp A 138 ? 103.361 123.516 40.276 1 93.704  ? 253 A 1 .
ATOM 2166 H H    . GLN Axp A 138 ? 105.01  119.727 40.912 1 92.139  ? 253 A 1 c
ATOM 2167 H HA   . GLN Axp A 138 ? 104.139 121.441 39.107 1 89.046  ? 253 A 1 c
ATOM 2168 H HB3  . GLN Axp A 138 ? 106.468 122.276 39.257 1 92.619  ? 253 A 1 c
ATOM 2169 H HB2  . GLN Axp A 138 ? 106.69  121.125 40.309 1 92.267  ? 253 A 1 c
ATOM 2170 H HG3  . GLN Axp A 138 ? 106.272 123.021 41.524 1 94.611  ? 253 A 1 c
ATOM 2171 H HG2  . GLN Axp A 138 ? 104.985 122.115 41.679 1 94.405  ? 253 A 1 c
ATOM 2172 H HE21 . GLN Axp A 138 ? 102.929 123.987 39.661 1 95.694  ? 253 A 1 c
ATOM 2173 H HE22 . GLN Axp A 138 ? 102.945 122.867 40.714 1 95.63   ? 253 A 1 c
ATOM 2174 N N    . ASP Axp A 139 ? 105.969 119.146 37.837 1 102.489 ? 254 A 1 .
ATOM 2175 C CA   . ASP Axp A 139 ? 106.614 118.62  36.642 1 96.018  ? 254 A 1 .
ATOM 2176 C C    . ASP Axp A 139 ? 105.685 117.719 35.828 1 105.867 ? 254 A 1 .
ATOM 2177 O O    . ASP Axp A 139 ? 105.52  117.927 34.628 1 117.207 ? 254 A 1 .
ATOM 2178 C CB   . ASP Axp A 139 ? 107.92  117.949 37.014 1 87.414  ? 254 A 1 .
ATOM 2179 C CG   . ASP Axp A 139 ? 108.979 118.909 37.538 1 97.458  ? 254 A 1 .
ATOM 2180 O OD1  . ASP Axp A 139 ? 108.632 120.048 37.963 1 102.938 ? 254 A 1 .
ATOM 2181 O OD2  . ASP Axp A 139 ? 110.158 118.531 37.475 1 117.799 ? 254 A 1 .
ATOM 2182 H H    . ASP Axp A 139 ? 105.984 118.638 38.595 1 97.676  ? 254 A 1 c
ATOM 2183 H HA   . ASP Axp A 139 ? 106.86  119.384 36.072 1 97.372  ? 254 A 1 c
ATOM 2184 H HB3  . ASP Axp A 139 ? 108.28  117.466 36.246 1 92.833  ? 254 A 1 c
ATOM 2185 H HB2  . ASP Axp A 139 ? 107.738 117.292 37.718 1 91.769  ? 254 A 1 c
ATOM 2186 N N    . VAL Axp A 140 ? 105.087 116.712 36.467 1 108.673 ? 255 A 1 .
ATOM 2187 C CA   . VAL Axp A 140 ? 104.25  115.755 35.757 1 118.004 ? 255 A 1 .
ATOM 2188 C C    . VAL Axp A 140 ? 102.88  116.371 35.491 1 122.157 ? 255 A 1 .
ATOM 2189 O O    . VAL Axp A 140 ? 102.122 115.901 34.63  1 96.272  ? 255 A 1 .
ATOM 2190 C CB   . VAL Axp A 140 ? 104.113 114.46  36.579 1 120.127 ? 255 A 1 .
ATOM 2191 C CG1  . VAL Axp A 140 ? 103.316 113.381 35.853 1 95.76   ? 255 A 1 .
ATOM 2192 C CG2  . VAL Axp A 140 ? 105.466 113.918 37.024 1 137.217 ? 255 A 1 .
ATOM 2193 H H    . VAL Axp A 140 ? 105.189 116.629 37.372 1 110.318 ? 255 A 1 c
ATOM 2194 H HA   . VAL Axp A 140 ? 104.669 115.543 34.906 1 117.315 ? 255 A 1 c
ATOM 2195 H HB   . VAL Axp A 140 ? 103.618 114.691 37.393 1 117.952 ? 255 A 1 c
ATOM 2196 H HG11 . VAL Axp A 140 ? 103.774 113.14  35.035 1 102.635 ? 255 A 1 c
ATOM 2197 H HG12 . VAL Axp A 140 ? 102.427 113.711 35.645 1 102.486 ? 255 A 1 c
ATOM 2198 H HG13 . VAL Axp A 140 ? 103.242 112.597 36.423 1 102.457 ? 255 A 1 c
ATOM 2199 H HG21 . VAL Axp A 140 ? 105.332 113.233 37.699 1 130.68  ? 255 A 1 c
ATOM 2200 H HG22 . VAL Axp A 140 ? 106.002 114.636 37.398 1 131.23  ? 255 A 1 c
ATOM 2201 H HG23 . VAL Axp A 140 ? 105.928 113.534 36.261 1 131.152 ? 255 A 1 c
ATOM 2202 N N    . LEU Axp A 141 ? 102.568 117.392 36.299 1 115.854 ? 256 A 1 .
ATOM 2203 C CA   . LEU Axp A 141 ? 101.229 117.939 36.345 1 126.244 ? 256 A 1 .
ATOM 2204 C C    . LEU Axp A 141 ? 101.249 119.392 35.88  1 122.675 ? 256 A 1 .
ATOM 2205 O O    . LEU Axp A 141 ? 100.478 119.731 34.985 1 132.982 ? 256 A 1 .
ATOM 2206 C CB   . LEU Axp A 141 ? 100.629 117.765 37.741 1 131.975 ? 256 A 1 .
ATOM 2207 C CG   . LEU Axp A 141 ? 100.429 116.318 38.21  1 125.685 ? 256 A 1 .
ATOM 2208 C CD1  . LEU Axp A 141 ? 101.692 115.734 38.788 1 135.039 ? 256 A 1 .
ATOM 2209 C CD2  . LEU Axp A 141 ? 99.329  116.167 39.224 1 121.898 ? 256 A 1 .
ATOM 2210 H H    . LEU Axp A 141 ? 103.205 117.751 36.846 1 119.501 ? 256 A 1 c
ATOM 2211 H HA   . LEU Axp A 141 ? 100.671 117.43  35.704 1 124.333 ? 256 A 1 c
ATOM 2212 H HB3  . LEU Axp A 141 ? 99.754  118.218 37.755 1 128.984 ? 256 A 1 c
ATOM 2213 H HB2  . LEU Axp A 141 ? 101.205 118.228 38.389 1 128.28  ? 256 A 1 c
ATOM 2214 H HG   . LEU Axp A 141 ? 100.183 115.774 37.418 1 127.801 ? 256 A 1 c
ATOM 2215 H HD11 . LEU Axp A 141 ? 102.458 116.255 38.499 1 131.028 ? 256 A 1 c
ATOM 2216 H HD12 . LEU Axp A 141 ? 101.791 114.817 38.483 1 131.7   ? 256 A 1 c
ATOM 2217 H HD13 . LEU Axp A 141 ? 101.64  115.744 39.758 1 131.434 ? 256 A 1 c
ATOM 2218 H HD21 . LEU Axp A 141 ? 98.474  116.373 38.809 1 122.958 ? 256 A 1 c
ATOM 2219 H HD22 . LEU Axp A 141 ? 99.482  116.778 39.964 1 122.682 ? 256 A 1 c
ATOM 2220 H HD23 . LEU Axp A 141 ? 99.314  115.254 39.557 1 123.052 ? 256 A 1 c
ATOM 2221 N N    . ALA Axp A 142 ? 102.125 120.24  36.453 1 123.161 ? 257 A 1 .
ATOM 2222 C CA   . ALA Axp A 142 ? 102.176 121.659 36.079 1 130.218 ? 257 A 1 .
ATOM 2223 C C    . ALA Axp A 142 ? 102.882 121.851 34.731 1 146.477 ? 257 A 1 .
ATOM 2224 O O    . ALA Axp A 142 ? 103.027 122.982 34.255 1 127.987 ? 257 A 1 .
ATOM 2225 C CB   . ALA Axp A 142 ? 102.808 122.526 37.169 1 104.502 ? 257 A 1 .
ATOM 2226 H H    . ALA Axp A 142 ? 102.695 119.932 37.097 1 124.143 ? 257 A 1 c
ATOM 2227 H HA   . ALA Axp A 142 ? 101.234 121.964 35.96  1 126.435 ? 257 A 1 c
ATOM 2228 H HB3  . ALA Axp A 142 ? 102.431 123.42  37.13  1 111.346 ? 257 A 1 c
ATOM 2229 H HB2  . ALA Axp A 142 ? 103.767 122.582 37.035 1 111.207 ? 257 A 1 c
ATOM 2230 H HB1  . ALA Axp A 142 ? 102.623 122.14  38.04  1 110.972 ? 257 A 1 c
ATOM 2231 N N    . GLU Axp A 143 ? 103.351 120.727 34.164 1 156.783 ? 258 A 1 .
ATOM 2232 C CA   . GLU Axp A 143 ? 103.807 120.599 32.788 1 142.502 ? 258 A 1 .
ATOM 2233 C C    . GLU Axp A 143 ? 105.224 121.151 32.603 1 131.356 ? 258 A 1 .
ATOM 2234 O O    . GLU Axp A 143 ? 105.742 121.158 31.489 1 121.995 ? 258 A 1 .
ATOM 2235 C CB   . GLU Axp A 143 ? 102.759 121.177 31.837 1 151.431 ? 258 A 1 .
ATOM 2236 C CG   . GLU Axp A 143 ? 102.811 120.523 30.463 1 148.279 ? 258 A 1 .
ATOM 2237 C CD   . GLU Axp A 143 ? 103.151 119.053 30.579 1 134.241 ? 258 A 1 .
ATOM 2238 O OE1  . GLU Axp A 143 ? 102.419 118.306 31.254 1 134.239 ? 258 A 1 .
ATOM 2239 O OE2  . GLU Axp A 143 ? 104.187 118.667 30.012 1 132.069 ? 258 A 1 .
ATOM 2240 H H    . GLU Axp A 143 ? 103.42  119.986 34.692 1 150.311 ? 258 A 1 c
ATOM 2241 H HA   . GLU Axp A 143 ? 103.86  119.632 32.603 1 144.475 ? 258 A 1 c
ATOM 2242 H HB3  . GLU Axp A 143 ? 102.908 122.141 31.745 1 148.534 ? 258 A 1 c
ATOM 2243 H HB2  . GLU Axp A 143 ? 101.868 121.046 32.224 1 148.66  ? 258 A 1 c
ATOM 2244 H HG3  . GLU Axp A 143 ? 103.491 120.967 29.913 1 145.534 ? 258 A 1 c
ATOM 2245 H HG2  . GLU Axp A 143 ? 101.942 120.617 30.02  1 145.607 ? 258 A 1 c
ATOM 2246 N N    . GLU Axp A 144 ? 105.889 121.514 33.705 1 119.866 ? 259 A 1 .
ATOM 2247 C CA   . GLU Axp A 144 ? 107.241 122.053 33.667 1 124.879 ? 259 A 1 .
ATOM 2248 C C    . GLU Axp A 144 ? 108.284 121.02  33.233 1 132.095 ? 259 A 1 .
ATOM 2249 O O    . GLU Axp A 144 ? 109.448 121.362 33.077 1 128.068 ? 259 A 1 .
ATOM 2250 C CB   . GLU Axp A 144 ? 107.611 122.549 35.062 1 124.614 ? 259 A 1 .
ATOM 2251 C CG   . GLU Axp A 144 ? 106.885 123.838 35.418 1 125.259 ? 259 A 1 .
ATOM 2252 C CD   . GLU Axp A 144 ? 107.176 124.31  36.82  1 119.529 ? 259 A 1 .
ATOM 2253 O OE1  . GLU Axp A 144 ? 107.721 123.523 37.644 1 129.409 ? 259 A 1 .
ATOM 2254 O OE2  . GLU Axp A 144 ? 106.828 125.485 37.048 1 103.357 ? 259 A 1 .
ATOM 2255 H H    . GLU Axp A 144 ? 105.489 121.41  34.52  1 124.147 ? 259 A 1 c
ATOM 2256 H HA   . GLU Axp A 144 ? 107.259 122.814 33.033 1 125.109 ? 259 A 1 c
ATOM 2257 H HB3  . GLU Axp A 144 ? 108.577 122.707 35.102 1 124.86  ? 259 A 1 c
ATOM 2258 H HB2  . GLU Axp A 144 ? 107.394 121.852 35.716 1 124.733 ? 259 A 1 c
ATOM 2259 H HG3  . GLU Axp A 144 ? 105.918 123.7   35.327 1 123.722 ? 259 A 1 c
ATOM 2260 H HG2  . GLU Axp A 144 ? 107.149 124.542 34.788 1 123.629 ? 259 A 1 c
ATOM 2261 N N    . SER Axp A 145 ? 107.878 119.756 33.079 1 143.907 ? 260 A 1 .
ATOM 2262 C CA   . SER Axp A 145 ? 108.744 118.678 32.625 1 144.591 ? 260 A 1 .
ATOM 2263 C C    . SER Axp A 145 ? 108.191 118.135 31.309 1 124.564 ? 260 A 1 .
ATOM 2264 O O    . SER Axp A 145 ? 107.241 118.684 30.776 1 99.563  ? 260 A 1 .
ATOM 2265 C CB   . SER Axp A 145 ? 108.801 117.616 33.711 1 174.374 ? 260 A 1 .
ATOM 2266 O OG   . SER Axp A 145 ? 109.321 116.374 33.27  1 178.058 ? 260 A 1 .
ATOM 2267 H H    . SER Axp A 145 ? 107.014 119.546 33.289 1 140.962 ? 260 A 1 c
ATOM 2268 H HA   . SER Axp A 145 ? 109.655 119.034 32.469 1 145.306 ? 260 A 1 c
ATOM 2269 H HB3  . SER Axp A 145 ? 107.903 117.474 34.058 1 166.021 ? 260 A 1 c
ATOM 2270 H HB2  . SER Axp A 145 ? 109.353 117.947 34.443 1 166.797 ? 260 A 1 c
ATOM 2271 H HG   . SER Axp A 145 ? 109.439 115.753 33.945 0 134.23  ? 260 A 1 c
ATOM 2272 N N    . THR Axp A 146 ? 108.768 117.049 30.788 1 123.97  ? 261 A 1 .
ATOM 2273 C CA   . THR Axp A 146 ? 108.058 116.209 29.827 1 141.03  ? 261 A 1 .
ATOM 2274 C C    . THR Axp A 146 ? 107.65  114.891 30.496 1 164.796 ? 261 A 1 .
ATOM 2275 O O    . THR Axp A 146 ? 106.842 114.151 29.931 1 167.01  ? 261 A 1 .
ATOM 2276 C CB   . THR Axp A 146 ? 108.815 116.013 28.497 1 146.226 ? 261 A 1 .
ATOM 2277 O OG1  . THR Axp A 146 ? 108.34  114.833 27.834 1 118.055 ? 261 A 1 .
ATOM 2278 C CG2  . THR Axp A 146 ? 110.335 115.956 28.599 1 150.67  ? 261 A 1 .
ATOM 2279 H H    . THR Axp A 146 ? 109.621 116.835 31.033 1 129.056 ? 261 A 1 c
ATOM 2280 H HA   . THR Axp A 146 ? 107.226 116.679 29.603 1 142.086 ? 261 A 1 c
ATOM 2281 H HB   . THR Axp A 146 ? 108.605 116.789 27.925 1 140.123 ? 261 A 1 c
ATOM 2282 H HG1  . THR Axp A 146 ? 108.849 114.147 28.178 0 130.83  ? 261 A 1 c
ATOM 2283 H HG21 . THR Axp A 146 ? 110.722 116.176 27.734 1 149.34  ? 261 A 1 c
ATOM 2284 H HG22 . THR Axp A 146 ? 110.612 115.062 28.851 1 149.437 ? 261 A 1 c
ATOM 2285 H HG23 . THR Axp A 146 ? 110.647 116.595 29.258 1 149.23  ? 261 A 1 c
ATOM 2286 N N    . ARG Axp A 147 ? 108.157 114.615 31.715 1 155.777 ? 262 A 1 .
ATOM 2287 C CA   . ARG Axp A 147 ? 107.662 113.504 32.517 1 154.894 ? 262 A 1 .
ATOM 2288 C C    . ARG Axp A 147 ? 106.185 113.785 32.776 1 147.986 ? 262 A 1 .
ATOM 2289 O O    . ARG Axp A 147 ? 105.852 114.842 33.307 1 135.134 ? 262 A 1 .
ATOM 2290 C CB   . ARG Axp A 147 ? 108.459 113.28  33.818 1 152.727 ? 262 A 1 .
ATOM 2291 C CG   . ARG Axp A 147 ? 109.454 112.123 33.736 1 145.686 ? 262 A 1 .
ATOM 2292 C CD   . ARG Axp A 147 ? 110.407 111.867 34.919 1 113.343 ? 262 A 1 .
ATOM 2293 N NE   . ARG Axp A 147 ? 111.791 111.645 34.473 1 100.593 ? 262 A 1 .
ATOM 2294 C CZ   . ARG Axp A 147 ? 112.859 112.396 34.82  1 118.074 ? 262 A 1 .
ATOM 2295 N NH1  . ARG Axp A 147 ? 112.805 113.239 35.843 1 98.644  ? 262 A 1 .
ATOM 2296 N NH2  . ARG Axp A 147 ? 114.004 112.283 34.157 1 134.744 ? 262 A 1 .
ATOM 2297 H H    . ARG Axp A 147 ? 108.795 115.16  32.074 1 156.975 ? 262 A 1 c
ATOM 2298 H HA   . ARG Axp A 147 ? 107.736 112.683 31.972 1 152.767 ? 262 A 1 c
ATOM 2299 H HB3  . ARG Axp A 147 ? 107.828 113.101 34.548 1 151.587 ? 262 A 1 c
ATOM 2300 H HB2  . ARG Axp A 147 ? 108.946 114.1   34.041 1 151.757 ? 262 A 1 c
ATOM 2301 H HG3  . ARG Axp A 147 ? 110     112.257 32.937 1 138.736 ? 262 A 1 c
ATOM 2302 H HG2  . ARG Axp A 147 ? 108.945 111.299 33.577 1 139.055 ? 262 A 1 c
ATOM 2303 H HD3  . ARG Axp A 147 ? 110.098 111.078 35.408 1 116.537 ? 262 A 1 c
ATOM 2304 H HD2  . ARG Axp A 147 ? 110.377 112.631 35.528 1 116.383 ? 262 A 1 c
ATOM 2305 H HE   . ARG Axp A 147 ? 111.938 110.973 33.939 1 107.575 ? 262 A 1 c
ATOM 2306 H HH11 . ARG Axp A 147 ? 112.256 113.931 35.816 1 104.361 ? 262 A 1 c
ATOM 2307 H HH12 . ARG Axp A 147 ? 113.326 113.107 36.545 1 104.285 ? 262 A 1 c
ATOM 2308 H HH21 . ARG Axp A 147 ? 113.994 112.186 33.278 1 129.374 ? 262 A 1 c
ATOM 2309 H HH22 . ARG Axp A 147 ? 114.77  112.305 34.597 1 129.374 ? 262 A 1 c
ATOM 2310 N N    . ARG Axp A 148 ? 105.327 112.853 32.343 1 129.355 ? 263 A 1 .
ATOM 2311 C CA   . ARG Axp A 148 ? 103.885 113.043 32.354 1 124.32  ? 263 A 1 .
ATOM 2312 C C    . ARG Axp A 148 ? 103.193 111.764 32.811 1 97.188  ? 263 A 1 .
ATOM 2313 O O    . ARG Axp A 148 ? 103.773 110.693 32.796 1 82.359  ? 263 A 1 .
ATOM 2314 C CB   . ARG Axp A 148 ? 103.36  113.328 30.94  1 139.234 ? 263 A 1 .
ATOM 2315 C CG   . ARG Axp A 148 ? 103.695 114.709 30.404 1 141.736 ? 263 A 1 .
ATOM 2316 C CD   . ARG Axp A 148 ? 103.425 114.791 28.913 1 138.677 ? 263 A 1 .
ATOM 2317 N NE   . ARG Axp A 148 ? 103.855 116.098 28.403 1 145.554 ? 263 A 1 .
ATOM 2318 C CZ   . ARG Axp A 148 ? 103.184 116.837 27.527 1 150.931 ? 263 A 1 .
ATOM 2319 N NH1  . ARG Axp A 148 ? 102.105 116.346 26.948 1 154.077 ? 263 A 1 .
ATOM 2320 N NH2  . ARG Axp A 148 ? 103.615 118.039 27.18  1 163.014 ? 263 A 1 .
ATOM 2321 H H    . ARG Axp A 148 ? 105.657 112.061 32.028 1 132.43  ? 263 A 1 c
ATOM 2322 H HA   . ARG Axp A 148 ? 103.653 113.786 32.966 1 122.062 ? 263 A 1 c
ATOM 2323 H HB3  . ARG Axp A 148 ? 102.385 113.222 30.939 1 135.738 ? 263 A 1 c
ATOM 2324 H HB2  . ARG Axp A 148 ? 103.731 112.656 30.33  1 136.2   ? 263 A 1 c
ATOM 2325 H HG3  . ARG Axp A 148 ? 104.64  114.909 30.574 1 140.65  ? 263 A 1 c
ATOM 2326 H HG2  . ARG Axp A 148 ? 103.149 115.381 30.868 1 140.5   ? 263 A 1 c
ATOM 2327 H HD3  . ARG Axp A 148 ? 102.468 114.67  28.745 1 141.077 ? 263 A 1 c
ATOM 2328 H HD2  . ARG Axp A 148 ? 103.913 114.082 28.446 1 140.95  ? 263 A 1 c
ATOM 2329 H HE   . ARG Axp A 148 ? 104.61  116.417 28.696 1 145.374 ? 263 A 1 c
ATOM 2330 H HH11 . ARG Axp A 148 ? 102.17  115.629 26.435 1 153.102 ? 263 A 1 c
ATOM 2331 H HH12 . ARG Axp A 148 ? 101.322 116.737 27.075 1 153.102 ? 263 A 1 c
ATOM 2332 H HH21 . ARG Axp A 148 ? 104.015 118.552 27.779 1 159.073 ? 263 A 1 c
ATOM 2333 H HH22 . ARG Axp A 148 ? 103.501 118.325 26.352 1 159.131 ? 263 A 1 c
ATOM 2334 N N    . MET Axp A 149 ? 101.92  111.876 33.173 1 95.057  ? 264 A 1 .
ATOM 2335 C CA   . MET Axp A 149 ? 101.125 110.704 33.476 1 93.561  ? 264 A 1 .
ATOM 2336 C C    . MET Axp A 149 ? 100.593 110.185 32.161 1 77.753  ? 264 A 1 .
ATOM 2337 O O    . MET Axp A 149 ? 100.619 110.882 31.169 1 108.243 ? 264 A 1 .
ATOM 2338 C CB   . MET Axp A 149 ? 99.986  111.033 34.447 1 119.327 ? 264 A 1 .
ATOM 2339 C CG   . MET Axp A 149 ? 100.425 111.045 35.912 1 123.129 ? 264 A 1 .
ATOM 2340 S SD   . MET Axp A 149 ? 99.066  110.998 37.095 1 104.167 ? 264 A 1 .
ATOM 2341 C CE   . MET Axp A 149 ? 99.894  109.987 38.327 1 117.083 ? 264 A 1 .
ATOM 2342 H H    . MET Axp A 149 ? 101.535 112.703 33.232 1 95.842  ? 264 A 1 c
ATOM 2343 H HA   . MET Axp A 149 ? 101.714 110.017 33.878 1 94.407  ? 264 A 1 c
ATOM 2344 H HB3  . MET Axp A 149 ? 99.273  110.369 34.333 1 113.222 ? 264 A 1 c
ATOM 2345 H HB2  . MET Axp A 149 ? 99.618  111.912 34.216 1 113.473 ? 264 A 1 c
ATOM 2346 H HG3  . MET Axp A 149 ? 100.951 111.852 36.079 1 118.194 ? 264 A 1 c
ATOM 2347 H HG2  . MET Axp A 149 ? 101.006 110.276 36.073 1 118.096 ? 264 A 1 c
ATOM 2348 H HE3  . MET Axp A 149 ? 100.188 110.552 39.065 1 113.379 ? 264 A 1 c
ATOM 2349 H HE2  . MET Axp A 149 ? 100.668 109.551 37.928 1 112.664 ? 264 A 1 c
ATOM 2350 H HE1  . MET Axp A 149 ? 99.276  109.311 38.661 1 113.435 ? 264 A 1 c
ATOM 2351 N N    . VAL Axp A 150 ? 100.131 108.953 32.144 1 79.955  ? 265 A 1 .
ATOM 2352 C CA   . VAL Axp A 150 ? 99.889  108.267 30.889 1 81.971  ? 265 A 1 .
ATOM 2353 C C    . VAL Axp A 150 ? 98.68   107.428 31.139 1 80.446  ? 265 A 1 .
ATOM 2354 O O    . VAL Axp A 150 ? 98.44   107.057 32.273 1 113.333 ? 265 A 1 .
ATOM 2355 C CB   . VAL Axp A 150 ? 100.957 107.264 30.435 1 91.15   ? 265 A 1 .
ATOM 2356 C CG1  . VAL Axp A 150 ? 100.905 107.005 28.95  1 109.807 ? 265 A 1 .
ATOM 2357 C CG2  . VAL Axp A 150 ? 102.35  107.708 30.811 1 95.738  ? 265 A 1 .
ATOM 2358 H H    . VAL Axp A 150 ? 99.963  108.519 32.931 1 79.96   ? 265 A 1 c
ATOM 2359 H HA   . VAL Axp A 150 ? 99.705  108.912 30.178 1 83.079  ? 265 A 1 c
ATOM 2360 H HB   . VAL Axp A 150 ? 100.778 106.412 30.898 1 93.333  ? 265 A 1 c
ATOM 2361 H HG11 . VAL Axp A 150 ? 101.303 107.755 28.475 1 103.442 ? 265 A 1 c
ATOM 2362 H HG12 . VAL Axp A 150 ? 99.984  106.898 28.666 1 103.242 ? 265 A 1 c
ATOM 2363 H HG13 . VAL Axp A 150 ? 101.4   106.195 28.746 1 103.352 ? 265 A 1 c
ATOM 2364 H HG21 . VAL Axp A 150 ? 102.98  106.998 30.609 1 94.226  ? 265 A 1 c
ATOM 2365 H HG22 . VAL Axp A 150 ? 102.384 107.907 31.761 1 93.752  ? 265 A 1 c
ATOM 2366 H HG23 . VAL Axp A 150 ? 102.585 108.504 30.305 1 94.228  ? 265 A 1 c
ATOM 2367 N N    . GLU Axp A 151 ? 97.996  107.083 30.076 1 74.629  ? 266 A 1 .
ATOM 2368 C CA   . GLU Axp A 151 ? 97.12   105.938 30.157 1 95.114  ? 266 A 1 .
ATOM 2369 C C    . GLU Axp A 151 ? 97.507  105.076 28.971 1 94.776  ? 266 A 1 .
ATOM 2370 O O    . GLU Axp A 151 ? 97.799  105.593 27.9   1 114.615 ? 266 A 1 .
ATOM 2371 C CB   . GLU Axp A 151 ? 95.634  106.312 30.202 1 88.351  ? 266 A 1 .
ATOM 2372 C CG   . GLU Axp A 151 ? 95.22   106.978 31.512 1 95.247  ? 266 A 1 .
ATOM 2373 C CD   . GLU Axp A 151 ? 93.983  107.875 31.471 1 109.798 ? 266 A 1 .
ATOM 2374 O OE1  . GLU Axp A 151 ? 92.962  107.361 30.967 1 89.663  ? 266 A 1 .
ATOM 2375 O OE2  . GLU Axp A 151 ? 93.999  109.048 31.945 1 100.773 ? 266 A 1 .
ATOM 2376 H H    . GLU Axp A 151 ? 98.047  107.566 29.302 1 80.561  ? 266 A 1 c
ATOM 2377 H HA   . GLU Axp A 151 ? 97.333  105.442 30.983 1 89.308  ? 266 A 1 c
ATOM 2378 H HB3  . GLU Axp A 151 ? 95.101  105.504 30.066 1 91.091  ? 266 A 1 c
ATOM 2379 H HB2  . GLU Axp A 151 ? 95.441  106.924 29.462 1 91.335  ? 266 A 1 c
ATOM 2380 H HG3  . GLU Axp A 151 ? 95.97   107.517 31.838 1 96.608  ? 266 A 1 c
ATOM 2381 H HG2  . GLU Axp A 151 ? 95.064  106.277 32.181 1 96.707  ? 266 A 1 c
ATOM 2382 N N    . VAL Axp A 152 ? 97.547  103.769 29.166 1 78.695  ? 267 A 1 .
ATOM 2383 C CA   . VAL Axp A 152 ? 97.832  102.928 28.037 1 67.129  ? 267 A 1 .
ATOM 2384 C C    . VAL Axp A 152 ? 96.851  101.77  27.956 1 72.936  ? 267 A 1 .
ATOM 2385 O O    . VAL Axp A 152 ? 96.89   100.805 28.716 1 75.403  ? 267 A 1 .
ATOM 2386 C CB   . VAL Axp A 152 ? 99.279  102.437 28.037 1 66.189  ? 267 A 1 .
ATOM 2387 C CG1  . VAL Axp A 152 ? 99.513  101.597 26.793 1 78.921  ? 267 A 1 .
ATOM 2388 C CG2  . VAL Axp A 152 ? 100.26  103.603 28.1   1 62.989  ? 267 A 1 .
ATOM 2389 H H    . VAL Axp A 152 ? 97.399  103.402 29.99  1 79.539  ? 267 A 1 c
ATOM 2390 H HA   . VAL Axp A 152 ? 97.718  103.468 27.24  1 70.924  ? 267 A 1 c
ATOM 2391 H HB   . VAL Axp A 152 ? 99.403  101.87  28.834 1 67.946  ? 267 A 1 c
ATOM 2392 H HG11 . VAL Axp A 152 ? 99.029  101.981 26.043 1 74.841  ? 267 A 1 c
ATOM 2393 H HG12 . VAL Axp A 152 ? 99.2    100.69  26.949 1 75.053  ? 267 A 1 c
ATOM 2394 H HG13 . VAL Axp A 152 ? 100.462 101.577 26.587 1 74.783  ? 267 A 1 c
ATOM 2395 H HG21 . VAL Axp A 152 ? 101.165 103.275 27.965 1 64.085  ? 267 A 1 c
ATOM 2396 H HG22 . VAL Axp A 152 ? 100.201 104.032 28.97  1 64.175  ? 267 A 1 c
ATOM 2397 H HG23 . VAL Axp A 152 ? 100.044 104.248 27.406 1 64.193  ? 267 A 1 c
ATOM 2398 N N    . PRO Axp A 153 ? 95.989  101.81  26.933 1 83.674  ? 268 A 1 .
ATOM 2399 C CA   . PRO Axp A 153 ? 95.083  100.708 26.637 1 89.507  ? 268 A 1 .
ATOM 2400 C C    . PRO Axp A 153 ? 95.784  99.406  26.282 1 78.85   ? 268 A 1 .
ATOM 2401 O O    . PRO Axp A 153 ? 96.456  99.292  25.268 1 88.518  ? 268 A 1 .
ATOM 2402 C CB   . PRO Axp A 153 ? 94.264  101.202 25.453 1 101.438 ? 268 A 1 .
ATOM 2403 C CG   . PRO Axp A 153 ? 95.191  102.25  24.85  1 117.031 ? 268 A 1 .
ATOM 2404 C CD   . PRO Axp A 153 ? 95.864  102.929 25.999 1 94.62   ? 268 A 1 .
ATOM 2405 H HA   . PRO Axp A 153 ? 94.49   100.563 27.402 1 88.084  ? 268 A 1 c
ATOM 2406 H HB3  . PRO Axp A 153 ? 93.422  101.6   25.747 1 101.797 ? 268 A 1 c
ATOM 2407 H HB2  . PRO Axp A 153 ? 94.084  100.48  24.819 1 101.615 ? 268 A 1 c
ATOM 2408 H HG3  . PRO Axp A 153 ? 94.681  102.898 24.324 1 107.916 ? 268 A 1 c
ATOM 2409 H HG2  . PRO Axp A 153 ? 95.854  101.83  24.268 1 107.916 ? 268 A 1 c
ATOM 2410 H HD3  . PRO Axp A 153 ? 96.735  103.281 25.74  1 96.041  ? 268 A 1 c
ATOM 2411 H HD2  . PRO Axp A 153 ? 95.314  103.644 26.375 1 96.386  ? 268 A 1 c
ATOM 2412 N N    . ILE Axp A 154 ? 95.571  98.417  27.132 1 80.428  ? 269 A 1 .
ATOM 2413 C CA   . ILE Axp A 154 ? 95.931  97.048  26.841 1 92.302  ? 269 A 1 .
ATOM 2414 C C    . ILE Axp A 154 ? 95.02   96.523  25.733 1 103.813 ? 269 A 1 .
ATOM 2415 O O    . ILE Axp A 154 ? 93.82   96.368  25.965 1 109.637 ? 269 A 1 .
ATOM 2416 C CB   . ILE Axp A 154 ? 95.882  96.213  28.135 1 87.76   ? 269 A 1 .
ATOM 2417 C CG1  . ILE Axp A 154 ? 97.101  96.615  29.021 1 94.356  ? 269 A 1 .
ATOM 2418 C CG2  . ILE Axp A 154 ? 95.791  94.703  27.877 1 63.389  ? 269 A 1 .
ATOM 2419 C CD1  . ILE Axp A 154 ? 97.28   95.783  30.283 1 104.454 ? 269 A 1 .
ATOM 2420 H H    . ILE Axp A 154 ? 95.186  98.604  27.94  1 82.743  ? 269 A 1 c
ATOM 2421 H HA   . ILE Axp A 154 ? 96.848  97.042  26.521 1 91.098  ? 269 A 1 c
ATOM 2422 H HB   . ILE Axp A 154 ? 95.074  96.474  28.619 1 84.379  ? 269 A 1 c
ATOM 2423 H HG12 . ILE Axp A 154 ? 96.999  97.554  29.28  1 95.052  ? 269 A 1 c
ATOM 2424 H HG13 . ILE Axp A 154 ? 97.913  96.544  28.483 1 95.491  ? 269 A 1 c
ATOM 2425 H HG21 . ILE Axp A 154 ? 95.493  94.253  28.686 1 70.383  ? 269 A 1 c
ATOM 2426 H HG22 . ILE Axp A 154 ? 96.666  94.363  27.625 1 70.039  ? 269 A 1 c
ATOM 2427 H HG23 . ILE Axp A 154 ? 95.16   94.527  27.162 1 70.606  ? 269 A 1 c
ATOM 2428 H HD11 . ILE Axp A 154 ? 96.412  95.451  30.581 1 101.118 ? 269 A 1 c
ATOM 2429 H HD12 . ILE Axp A 154 ? 97.674  96.333  30.987 1 101.209 ? 269 A 1 c
ATOM 2430 H HD13 . ILE Axp A 154 ? 97.868  95.027  30.096 1 101.294 ? 269 A 1 c
ATOM 2431 N N    . PRO Axp A 155 ? 95.598  96.203  24.54  1 100.049 ? 270 A 1 .
ATOM 2432 C CA   . PRO Axp A 155 ? 94.867  95.756  23.361 1 101.098 ? 270 A 1 .
ATOM 2433 C C    . PRO Axp A 155 ? 94.597  94.257  23.277 1 97.114  ? 270 A 1 .
ATOM 2434 O O    . PRO Axp A 155 ? 95.487  93.486  23.602 1 74.38   ? 270 A 1 .
ATOM 2435 C CB   . PRO Axp A 155 ? 95.825  96.1    22.219 1 111.398 ? 270 A 1 .
ATOM 2436 C CG   . PRO Axp A 155 ? 97.037  96.78   22.847 1 103.703 ? 270 A 1 .
ATOM 2437 C CD   . PRO Axp A 155 ? 97.035  96.291  24.246 1 97.252  ? 270 A 1 .
ATOM 2438 H HA   . PRO Axp A 155 ? 94.031  96.259  23.273 1 102.199 ? 270 A 1 c
ATOM 2439 H HB3  . PRO Axp A 155 ? 95.393  96.697  21.579 1 107.189 ? 270 A 1 c
ATOM 2440 H HB2  . PRO Axp A 155 ? 96.097  95.292  21.741 1 106.97  ? 270 A 1 c
ATOM 2441 H HG3  . PRO Axp A 155 ? 96.949  97.753  22.819 1 103.811 ? 270 A 1 c
ATOM 2442 H HG2  . PRO Axp A 155 ? 97.862  96.521  22.39  1 103.811 ? 270 A 1 c
ATOM 2443 H HD3  . PRO Axp A 155 ? 97.456  95.418  24.32  1 99.886  ? 270 A 1 c
ATOM 2444 H HD2  . PRO Axp A 155 ? 97.484  96.92   24.838 1 99.273  ? 270 A 1 c
ATOM 2445 N N    . GLU Axp A 156 ? 93.417  93.9    22.728 1 122.095 ? 271 A 1 .
ATOM 2446 C CA   . GLU Axp A 156 ? 92.9    92.543  22.536 1 141.401 ? 271 A 1 .
ATOM 2447 C C    . GLU Axp A 156 ? 94      91.491  22.34  1 136.051 ? 271 A 1 .
ATOM 2448 O O    . GLU Axp A 156 ? 94.593  91.386  21.268 1 182.523 ? 271 A 1 .
ATOM 2449 C CB   . GLU Axp A 156 ? 92.005  92.434  21.292 1 161.689 ? 271 A 1 .
ATOM 2450 C CG   . GLU Axp A 156 ? 91.089  93.625  21.008 1 173.262 ? 271 A 1 .
ATOM 2451 C CD   . GLU Axp A 156 ? 89.77   93.643  21.763 1 177.07  ? 271 A 1 .
ATOM 2452 O OE1  . GLU Axp A 156 ? 89.73   93.217  22.936 1 165.057 ? 271 A 1 .
ATOM 2453 O OE2  . GLU Axp A 156 ? 88.772  94.108  21.169 1 158.687 ? 271 A 1 .
ATOM 2454 H H    . GLU Axp A 156 ? 92.878  94.588  22.462 1 119.982 ? 271 A 1 c
ATOM 2455 H HA   . GLU Axp A 156 ? 92.364  92.3    23.333 1 139.51  ? 271 A 1 c
ATOM 2456 H HB3  . GLU Axp A 156 ? 91.446  91.634  21.381 1 159.443 ? 271 A 1 c
ATOM 2457 H HB2  . GLU Axp A 156 ? 92.573  92.31   20.503 1 159.4   ? 271 A 1 c
ATOM 2458 H HG3  . GLU Axp A 156 ? 90.888  93.639  20.048 1 171.16  ? 271 A 1 c
ATOM 2459 H HG2  . GLU Axp A 156 ? 91.567  94.455  21.207 1 170.489 ? 271 A 1 c
ATOM 2460 N N    . GLY Axp A 157 ? 94.2    90.65   23.356 1 114.577 ? 272 A 1 .
ATOM 2461 C CA   . GLY Axp A 157 ? 95.165  89.565  23.304 1 116.263 ? 272 A 1 .
ATOM 2462 C C    . GLY Axp A 157 ? 96.578  90.107  23.13  1 123.39  ? 272 A 1 .
ATOM 2463 O O    . GLY Axp A 157 ? 97.283  89.692  22.228 1 150.56  ? 272 A 1 .
ATOM 2464 H H    . GLY Axp A 157 ? 93.711  90.759  24.121 1 120.063 ? 272 A 1 c
ATOM 2465 H HA3  . GLY Axp A 157 ? 94.943  88.968  22.552 1 117.416 ? 272 A 1 c
ATOM 2466 H HA2  . GLY Axp A 157 ? 95.11   89.042  24.138 1 117.461 ? 272 A 1 c
ATOM 2467 N N    . SER Axp A 158 ? 96.959  91.066  23.976 1 132.765 ? 273 A 1 .
ATOM 2468 C CA   . SER Axp A 158 ? 98.321  91.572  24.05  1 129.147 ? 273 A 1 .
ATOM 2469 C C    . SER Axp A 158 ? 99.273  90.483  24.54  1 144.329 ? 273 A 1 .
ATOM 2470 O O    . SER Axp A 158 ? 98.848  89.379  24.887 1 107.408 ? 273 A 1 .
ATOM 2471 C CB   . SER Axp A 158 ? 98.376  92.786  24.938 1 129.587 ? 273 A 1 .
ATOM 2472 O OG   . SER Axp A 158 ? 99.527  92.796  25.77  1 138.373 ? 273 A 1 .
ATOM 2473 H H    . SER Axp A 158 ? 96.334  91.421  24.541 1 129.475 ? 273 A 1 c
ATOM 2474 H HA   . SER Axp A 158 ? 98.599  91.839  23.142 1 132.992 ? 273 A 1 c
ATOM 2475 H HB3  . SER Axp A 158 ? 97.577  92.815  25.497 1 131.467 ? 273 A 1 c
ATOM 2476 H HB2  . SER Axp A 158 ? 98.378  93.583  24.38  1 131.27  ? 273 A 1 c
ATOM 2477 H HG   . SER Axp A 158 ? 99.462  93.45   26.31  0 109.44  ? 273 A 1 c
ATOM 2478 N N    . LYS Axp A 159 ? 100.571 90.821  24.566 1 176.441 ? 274 A 1 .
ATOM 2479 C CA   . LYS Axp A 159 ? 101.603 89.96   25.132 1 170.333 ? 274 A 1 .
ATOM 2480 C C    . LYS Axp A 159 ? 101.445 89.891  26.656 1 170.838 ? 274 A 1 .
ATOM 2481 O O    . LYS Axp A 159 ? 101.739 88.856  27.256 1 182.539 ? 274 A 1 .
ATOM 2482 C CB   . LYS Axp A 159 ? 102.996 90.45   24.704 1 173.995 ? 274 A 1 .
ATOM 2483 C CG   . LYS Axp A 159 ? 103.3   90.343  23.196 1 190.588 ? 274 A 1 .
ATOM 2484 C CD   . LYS Axp A 159 ? 104.399 91.275  22.679 1 189.286 ? 274 A 1 .
ATOM 2485 C CE   . LYS Axp A 159 ? 104.212 91.823  21.277 1 193.289 ? 274 A 1 .
ATOM 2486 N NZ   . LYS Axp A 159 ? 104.634 90.931  20.193 1 196.119 ? 274 A 1 .
ATOM 2487 H H    . LYS Axp A 159 ? 100.822 91.625  24.211 1 166.367 ? 274 A 1 c
ATOM 2488 H HA   . LYS Axp A 159 ? 101.475 89.048  24.767 1 171.687 ? 274 A 1 c
ATOM 2489 H HB3  . LYS Axp A 159 ? 103.672 89.933  25.192 1 176.683 ? 274 A 1 c
ATOM 2490 H HB2  . LYS Axp A 159 ? 103.091 91.389  24.973 1 176.328 ? 274 A 1 c
ATOM 2491 H HG3  . LYS Axp A 159 ? 102.472 90.527  22.701 1 186.014 ? 274 A 1 c
ATOM 2492 H HG2  . LYS Axp A 159 ? 103.558 89.416  23     1 186.329 ? 274 A 1 c
ATOM 2493 H HD3  . LYS Axp A 159 ? 105.251 90.787  22.711 1 190.315 ? 274 A 1 c
ATOM 2494 H HD2  . LYS Axp A 159 ? 104.48  92.03   23.299 1 189.574 ? 274 A 1 c
ATOM 2495 H HE3  . LYS Axp A 159 ? 104.714 92.655  21.202 1 192.915 ? 274 A 1 c
ATOM 2496 H HE2  . LYS Axp A 159 ? 103.274 92.038  21.142 1 192.399 ? 274 A 1 c
ATOM 2497 H HZ1  . LYS Axp A 159 ? 104.245 90.12   20.295 1 195.244 ? 274 A 1 c
ATOM 2498 H HZ2  . LYS Axp A 159 ? 105.535 90.834  20.21  1 195.244 ? 274 A 1 c
ATOM 2499 H HZ3  . LYS Axp A 159 ? 104.388 91.282  19.395 1 195.244 ? 274 A 1 c
ATOM 2500 N N    . LEU Axp A 160 ? 100.952 90.987  27.265 1 164.631 ? 275 A 1 .
ATOM 2501 C CA   . LEU Axp A 160 ? 100.787 91.098  28.712 1 106.707 ? 275 A 1 .
ATOM 2502 C C    . LEU Axp A 160 ? 99.456  90.509  29.156 1 93.543  ? 275 A 1 .
ATOM 2503 O O    . LEU Axp A 160 ? 99.226  90.405  30.344 1 102.026 ? 275 A 1 .
ATOM 2504 C CB   . LEU Axp A 160 ? 100.902 92.54   29.197 1 84.742  ? 275 A 1 .
ATOM 2505 C CG   . LEU Axp A 160 ? 102.302 93.157  29.082 1 123.154 ? 275 A 1 .
ATOM 2506 C CD1  . LEU Axp A 160 ? 102.407 94.556  29.681 1 127.075 ? 275 A 1 .
ATOM 2507 C CD2  . LEU Axp A 160 ? 103.345 92.262  29.747 1 154.993 ? 275 A 1 .
ATOM 2508 H H    . LEU Axp A 160 ? 100.715 91.705  26.751 1 150.093 ? 275 A 1 c
ATOM 2509 H HA   . LEU Axp A 160 ? 101.504 90.563  29.137 1 109.978 ? 275 A 1 c
ATOM 2510 H HB3  . LEU Axp A 160 ? 100.626 92.572  30.142 1 97.29   ? 275 A 1 c
ATOM 2511 H HB2  . LEU Axp A 160 ? 100.272 93.09   28.68  1 97.435  ? 275 A 1 c
ATOM 2512 H HG   . LEU Axp A 160 ? 102.529 93.222  28.118 1 120.568 ? 275 A 1 c
ATOM 2513 H HD11 . LEU Axp A 160 ? 101.571 95.031  29.546 1 125.782 ? 275 A 1 c
ATOM 2514 H HD12 . LEU Axp A 160 ? 103.128 95.041  29.247 1 125.797 ? 275 A 1 c
ATOM 2515 H HD13 . LEU Axp A 160 ? 102.59  94.49   30.633 1 125.862 ? 275 A 1 c
ATOM 2516 H HD21 . LEU Axp A 160 ? 103.648 91.59   29.114 1 144.279 ? 275 A 1 c
ATOM 2517 H HD22 . LEU Axp A 160 ? 102.952 91.823  30.52  1 143.915 ? 275 A 1 c
ATOM 2518 H HD23 . LEU Axp A 160 ? 104.102 92.8    30.033 1 144.141 ? 275 A 1 c
ATOM 2519 N N    . GLU Axp A 161 ? 98.585  90.115  28.23  1 92.88   ? 276 A 1 .
ATOM 2520 C CA   . GLU Axp A 161 ? 97.278  89.605  28.606 1 102.829 ? 276 A 1 .
ATOM 2521 C C    . GLU Axp A 161 ? 97.441  88.343  29.448 1 95.846  ? 276 A 1 .
ATOM 2522 O O    . GLU Axp A 161 ? 98.113  87.414  29.03  1 108.107 ? 276 A 1 .
ATOM 2523 C CB   . GLU Axp A 161 ? 96.432  89.466  27.336 1 118.367 ? 276 A 1 .
ATOM 2524 C CG   . GLU Axp A 161 ? 95.581  88.2    27.227 1 127.694 ? 276 A 1 .
ATOM 2525 C CD   . GLU Axp A 161 ? 94.54   87.966  28.309 1 131.861 ? 276 A 1 .
ATOM 2526 O OE1  . GLU Axp A 161 ? 93.683  88.858  28.553 1 129.629 ? 276 A 1 .
ATOM 2527 O OE2  . GLU Axp A 161 ? 94.594  86.858  28.893 1 126.409 ? 276 A 1 .
ATOM 2528 H H    . GLU Axp A 161 ? 98.804  90.167  27.345 1 96.573  ? 276 A 1 c
ATOM 2529 H HA   . GLU Axp A 161 ? 96.84   90.293  29.169 1 102.279 ? 276 A 1 c
ATOM 2530 H HB3  . GLU Axp A 161 ? 97.022  89.494  26.557 1 116.252 ? 276 A 1 c
ATOM 2531 H HB2  . GLU Axp A 161 ? 95.832  90.238  27.278 1 116.57  ? 276 A 1 c
ATOM 2532 H HG3  . GLU Axp A 161 ? 96.179  87.423  27.206 1 126.157 ? 276 A 1 c
ATOM 2533 H HG2  . GLU Axp A 161 ? 95.115  88.217  26.364 1 126.329 ? 276 A 1 c
ATOM 2534 N N    . GLY Axp A 162 ? 96.809  88.33   30.631 1 119.53  ? 277 A 1 .
ATOM 2535 C CA   . GLY Axp A 162 ? 96.737  87.16   31.501 1 121.711 ? 277 A 1 .
ATOM 2536 C C    . GLY Axp A 162 ? 97.983  87.015  32.372 1 117.895 ? 277 A 1 .
ATOM 2537 O O    . GLY Axp A 162 ? 98.338  85.907  32.745 1 122.526 ? 277 A 1 .
ATOM 2538 H H    . GLY Axp A 162 ? 96.4    89.097  30.912 1 113.66  ? 277 A 1 c
ATOM 2539 H HA3  . GLY Axp A 162 ? 96.628  86.352  30.947 1 120.119 ? 277 A 1 c
ATOM 2540 H HA2  . GLY Axp A 162 ? 95.942  87.239  32.079 1 120.291 ? 277 A 1 c
ATOM 2541 N N    . VAL Axp A 163 ? 98.6    88.151  32.722 1 108.493 ? 278 A 1 .
ATOM 2542 C CA   . VAL Axp A 163 ? 99.923  88.212  33.321 1 118.443 ? 278 A 1 .
ATOM 2543 C C    . VAL Axp A 163 ? 99.859  89.019  34.616 1 134.737 ? 278 A 1 .
ATOM 2544 O O    . VAL Axp A 163 ? 99.3    90.116  34.658 1 163.148 ? 278 A 1 .
ATOM 2545 C CB   . VAL Axp A 163 ? 100.89  88.859  32.306 1 121.397 ? 278 A 1 .
ATOM 2546 C CG1  . VAL Axp A 163 ? 102.3   89.122  32.856 1 108.223 ? 278 A 1 .
ATOM 2547 C CG2  . VAL Axp A 163 ? 100.934 88.042  31.02  1 126.027 ? 278 A 1 .
ATOM 2548 H H    . VAL Axp A 163 ? 98.159  88.94   32.585 1 113.113 ? 278 A 1 c
ATOM 2549 H HA   . VAL Axp A 163 ? 100.227 87.306  33.518 1 119.725 ? 278 A 1 c
ATOM 2550 H HB   . VAL Axp A 163 ? 100.511 89.738  32.079 1 118.975 ? 278 A 1 c
ATOM 2551 H HG11 . VAL Axp A 163 ? 102.544 88.413  33.475 1 111.945 ? 278 A 1 c
ATOM 2552 H HG12 . VAL Axp A 163 ? 102.313 89.975  33.321 1 111.894 ? 278 A 1 c
ATOM 2553 H HG13 . VAL Axp A 163 ? 102.937 89.144  32.123 1 112.068 ? 278 A 1 c
ATOM 2554 H HG21 . VAL Axp A 163 ? 101.534 88.468  30.384 1 124.425 ? 278 A 1 c
ATOM 2555 H HG22 . VAL Axp A 163 ? 100.045 87.987  30.636 1 124.095 ? 278 A 1 c
ATOM 2556 H HG23 . VAL Axp A 163 ? 101.257 87.146  31.216 1 124.496 ? 278 A 1 c
ATOM 2557 N N    . SER Axp A 164 ? 100.481 88.466  35.657 1 119.771 ? 279 A 1 .
ATOM 2558 C CA   . SER Axp A 164 ? 100.672 89.141  36.924 1 95.821  ? 279 A 1 .
ATOM 2559 C C    . SER Axp A 164 ? 101.517 90.41   36.756 1 80.294  ? 279 A 1 .
ATOM 2560 O O    . SER Axp A 164 ? 102.46  90.456  35.968 1 85.764  ? 279 A 1 .
ATOM 2561 C CB   . SER Axp A 164 ? 101.33  88.199  37.903 1 103.154 ? 279 A 1 .
ATOM 2562 O OG   . SER Axp A 164 ? 102.747 88.324  37.844 1 98.318  ? 279 A 1 .
ATOM 2563 H H    . SER Axp A 164 ? 100.809 87.618  35.566 1 116.832 ? 279 A 1 c
ATOM 2564 H HA   . SER Axp A 164 ? 99.783  89.396  37.278 1 97.966  ? 279 A 1 c
ATOM 2565 H HB3  . SER Axp A 164 ? 101.074 87.28   37.695 1 100.538 ? 279 A 1 c
ATOM 2566 H HB2  . SER Axp A 164 ? 101.022 88.404  38.805 1 100.414 ? 279 A 1 c
ATOM 2567 H HG   . SER Axp A 164 ? 102.996 87.803  38.526 0 103.66  ? 279 A 1 c
ATOM 2568 N N    . VAL Axp A 165 ? 101.168 91.439  37.529 1 71.584  ? 280 A 1 .
ATOM 2569 C CA   . VAL Axp A 165 ? 101.935 92.671  37.624 1 77.057  ? 280 A 1 .
ATOM 2570 C C    . VAL Axp A 165 ? 103.376 92.384  38.053 1 85.883  ? 280 A 1 .
ATOM 2571 O O    . VAL Axp A 165 ? 104.265 93.138  37.674 1 89.863  ? 280 A 1 .
ATOM 2572 C CB   . VAL Axp A 165 ? 101.274 93.602  38.664 1 90.858  ? 280 A 1 .
ATOM 2573 C CG1  . VAL Axp A 165 ? 102.031 94.929  38.853 1 83.025  ? 280 A 1 .
ATOM 2574 C CG2  . VAL Axp A 165 ? 99.777  93.792  38.407 1 93.79   ? 280 A 1 .
ATOM 2575 H H    . VAL Axp A 165 ? 100.412 91.36   38.036 1 75.455  ? 280 A 1 c
ATOM 2576 H HA   . VAL Axp A 165 ? 101.939 93.112  36.753 1 79.819  ? 280 A 1 c
ATOM 2577 H HB   . VAL Axp A 165 ? 101.337 93.134  39.525 1 87.593  ? 280 A 1 c
ATOM 2578 H HG11 . VAL Axp A 165 ? 102.35  95.247  37.991 1 85.263  ? 280 A 1 c
ATOM 2579 H HG12 . VAL Axp A 165 ? 102.789 94.79   39.446 1 85.265  ? 280 A 1 c
ATOM 2580 H HG13 . VAL Axp A 165 ? 101.437 95.593  39.242 1 85.342  ? 280 A 1 c
ATOM 2581 H HG21 . VAL Axp A 165 ? 99.509  94.686  38.675 1 92.797  ? 280 A 1 c
ATOM 2582 H HG22 . VAL Axp A 165 ? 99.278  93.138  38.921 1 93.07   ? 280 A 1 c
ATOM 2583 H HG23 . VAL Axp A 165 ? 99.591  93.669  37.461 1 92.717  ? 280 A 1 c
ATOM 2584 N N    . LEU Axp A 166 ? 103.582 91.385  38.934 1 94.022  ? 281 A 1 .
ATOM 2585 C CA   . LEU Axp A 166 ? 104.912 90.976  39.348 1 106.013 ? 281 A 1 .
ATOM 2586 C C    . LEU Axp A 166 ? 105.681 90.63   38.09  1 104.335 ? 281 A 1 .
ATOM 2587 O O    . LEU Axp A 166 ? 106.701 91.263  37.818 1 119.257 ? 281 A 1 .
ATOM 2588 C CB   . LEU Axp A 166 ? 104.963 89.773  40.288 1 127.525 ? 281 A 1 .
ATOM 2589 C CG   . LEU Axp A 166 ? 106.379 89.326  40.683 1 140.651 ? 281 A 1 .
ATOM 2590 C CD1  . LEU Axp A 166 ? 106.793 89.869  42.058 1 139.615 ? 281 A 1 .
ATOM 2591 C CD2  . LEU Axp A 166 ? 106.508 87.805  40.59  1 137.906 ? 281 A 1 .
ATOM 2592 H H    . LEU Axp A 166 ? 102.862 90.953  39.294 1 94.168  ? 281 A 1 c
ATOM 2593 H HA   . LEU Axp A 166 ? 105.352 91.749  39.786 1 106.853 ? 281 A 1 c
ATOM 2594 H HB3  . LEU Axp A 166 ? 104.506 89.018  39.851 1 124.774 ? 281 A 1 c
ATOM 2595 H HB2  . LEU Axp A 166 ? 104.464 89.988  41.105 1 125.436 ? 281 A 1 c
ATOM 2596 H HG   . LEU Axp A 166 ? 107.011 89.709  40.023 1 136.932 ? 281 A 1 c
ATOM 2597 H HD11 . LEU Axp A 166 ? 106.465 90.778  42.161 1 139.814 ? 281 A 1 c
ATOM 2598 H HD12 . LEU Axp A 166 ? 107.763 89.865  42.13  1 139.893 ? 281 A 1 c
ATOM 2599 H HD13 . LEU Axp A 166 ? 106.416 89.308  42.756 1 139.893 ? 281 A 1 c
ATOM 2600 H HD21 . LEU Axp A 166 ? 106.377 87.523  39.669 1 138.706 ? 281 A 1 c
ATOM 2601 H HD22 . LEU Axp A 166 ? 105.837 87.386  41.155 1 138.706 ? 281 A 1 c
ATOM 2602 H HD23 . LEU Axp A 166 ? 107.394 87.535  40.888 1 138.706 ? 281 A 1 c
ATOM 2603 N N    . ASP Axp A 167 ? 105.147 89.64   37.351 1 95.975  ? 282 A 1 .
ATOM 2604 C CA   . ASP Axp A 167 ? 105.779 89.091  36.157 1 98.318  ? 282 A 1 .
ATOM 2605 C C    . ASP Axp A 167 ? 106.076 90.187  35.139 1 95.264  ? 282 A 1 .
ATOM 2606 O O    . ASP Axp A 167 ? 107.176 90.259  34.6   1 110.536 ? 282 A 1 .
ATOM 2607 C CB   . ASP Axp A 167 ? 104.894 88.055  35.487 1 96.635  ? 282 A 1 .
ATOM 2608 C CG   . ASP Axp A 167 ? 104.823 86.745  36.241 1 116.995 ? 282 A 1 .
ATOM 2609 O OD1  . ASP Axp A 167 ? 104.874 86.794  37.489 1 157.585 ? 282 A 1 .
ATOM 2610 O OD2  . ASP Axp A 167 ? 104.705 85.704  35.578 1 137.749 ? 282 A 1 .
ATOM 2611 H H    . ASP Axp A 167 ? 104.34  89.294  37.605 1 98.881  ? 282 A 1 c
ATOM 2612 H HA   . ASP Axp A 167 ? 106.625 88.663  36.421 1 97.08   ? 282 A 1 c
ATOM 2613 H HB3  . ASP Axp A 167 ? 105.236 87.873  34.586 1 101.534 ? 282 A 1 c
ATOM 2614 H HB2  . ASP Axp A 167 ? 103.987 88.413  35.402 1 101.317 ? 282 A 1 c
ATOM 2615 N N    . ALA Axp A 168 ? 105.047 90.979  34.84  1 81.082  ? 283 A 1 .
ATOM 2616 C CA   . ALA Axp A 168 ? 105.147 92.101  33.932 1 75.554  ? 283 A 1 .
ATOM 2617 C C    . ALA Axp A 168 ? 106.46  92.851  34.142 1 69.796  ? 283 A 1 .
ATOM 2618 O O    . ALA Axp A 168 ? 107.227 93.03   33.22  1 97.122  ? 283 A 1 .
ATOM 2619 C CB   . ALA Axp A 168 ? 103.954 93.005  34.138 1 89.73   ? 283 A 1 .
ATOM 2620 H H    . ALA Axp A 168 ? 104.235 90.8    35.221 1 83.221  ? 283 A 1 c
ATOM 2621 H HA   . ALA Axp A 168 ? 105.134 91.749  32.999 1 78.023  ? 283 A 1 c
ATOM 2622 H HB3  . ALA Axp A 168 ? 103.667 93.363  33.282 1 85.287  ? 283 A 1 c
ATOM 2623 H HB2  . ALA Axp A 168 ? 104.194 93.739  34.728 1 85.043  ? 283 A 1 c
ATOM 2624 H HB1  . ALA Axp A 168 ? 103.222 92.503  34.533 1 85.191  ? 283 A 1 c
ATOM 2625 N N    . ASP Axp A 169 ? 106.714 93.306  35.352 1 70.364  ? 284 A 1 .
ATOM 2626 C CA   . ASP Axp A 169 ? 107.895 94.077  35.671 1 87.021  ? 284 A 1 .
ATOM 2627 C C    . ASP Axp A 169 ? 108.048 95.248  34.691 1 88.657  ? 284 A 1 .
ATOM 2628 O O    . ASP Axp A 169 ? 109.119 95.455  34.125 1 92.886  ? 284 A 1 .
ATOM 2629 C CB   . ASP Axp A 169 ? 109.106 93.171  35.849 1 89.163  ? 284 A 1 .
ATOM 2630 C CG   . ASP Axp A 169 ? 110.337 93.9    36.385 1 112.665 ? 284 A 1 .
ATOM 2631 O OD1  . ASP Axp A 169 ? 110.169 95.036  36.855 1 102.76  ? 284 A 1 .
ATOM 2632 O OD2  . ASP Axp A 169 ? 111.46  93.363  36.3   1 130.547 ? 284 A 1 .
ATOM 2633 H H    . ASP Axp A 169 ? 106.118 93.129  36.022 1 73.925  ? 284 A 1 c
ATOM 2634 H HA   . ASP Axp A 169 ? 107.748 94.468  36.562 1 84.289  ? 284 A 1 c
ATOM 2635 H HB3  . ASP Axp A 169 ? 109.335 92.769  34.986 1 93.554  ? 284 A 1 c
ATOM 2636 H HB2  . ASP Axp A 169 ? 108.877 92.449  36.472 1 93.554  ? 284 A 1 c
ATOM 2637 N N    . ILE Axp A 170 ? 107.016 96.094  34.591 1 78.265  ? 285 A 1 .
ATOM 2638 C CA   . ILE Axp A 170 ? 107.041 97.208  33.656 1 80.6    ? 285 A 1 .
ATOM 2639 C C    . ILE Axp A 170 ? 108.249 98.129  33.93  1 73.087  ? 285 A 1 .
ATOM 2640 O O    . ILE Axp A 170 ? 108.909 98.556  32.995 1 97.252  ? 285 A 1 .
ATOM 2641 C CB   . ILE Axp A 170 ? 105.664 97.926  33.635 1 76.812  ? 285 A 1 .
ATOM 2642 C CG1  . ILE Axp A 170 ? 104.72  97.391  32.566 1 81.483  ? 285 A 1 .
ATOM 2643 C CG2  . ILE Axp A 170 ? 105.77  99.441  33.474 1 80.166  ? 285 A 1 .
ATOM 2644 C CD1  . ILE Axp A 170 ? 104.13  96.02   32.857 1 95.822  ? 285 A 1 .
ATOM 2645 H H    . ILE Axp A 170 ? 106.281 95.973  35.12  1 81.085  ? 285 A 1 c
ATOM 2646 H HA   . ILE Axp A 170 ? 107.174 96.825  32.767 1 78.216  ? 285 A 1 c
ATOM 2647 H HB   . ILE Axp A 170 ? 105.24  97.76   34.5   1 79.079  ? 285 A 1 c
ATOM 2648 H HG12 . ILE Axp A 170 ? 105.205 97.347  31.716 1 83.392  ? 285 A 1 c
ATOM 2649 H HG13 . ILE Axp A 170 ? 103.984 98.026  32.453 1 83.386  ? 285 A 1 c
ATOM 2650 H HG21 . ILE Axp A 170 ? 104.879 99.827  33.421 1 79.29   ? 285 A 1 c
ATOM 2651 H HG22 . ILE Axp A 170 ? 106.258 99.65   32.663 1 79.421  ? 285 A 1 c
ATOM 2652 H HG23 . ILE Axp A 170 ? 106.236 99.818  34.238 1 79.348  ? 285 A 1 c
ATOM 2653 H HD11 . ILE Axp A 170 ? 104.751 95.328  32.559 1 91.321  ? 285 A 1 c
ATOM 2654 H HD12 . ILE Axp A 170 ? 103.284 95.921  32.381 1 91.513  ? 285 A 1 c
ATOM 2655 H HD13 . ILE Axp A 170 ? 103.975 95.925  33.816 1 91.254  ? 285 A 1 c
ATOM 2656 N N    . HIS Axp A 171 ? 108.523 98.537  35.169 1 70.135  ? 286 A 1 .
ATOM 2657 C CA   . HIS Axp A 171 ? 109.448 99.644  35.358 1 74.166  ? 286 A 1 .
ATOM 2658 C C    . HIS Axp A 171 ? 110.852 99.176  34.999 1 100.442 ? 286 A 1 .
ATOM 2659 O O    . HIS Axp A 171 ? 111.629 99.889  34.337 1 91.479  ? 286 A 1 .
ATOM 2660 C CB   . HIS Axp A 171 ? 109.402 100.208 36.779 1 64.962  ? 286 A 1 .
ATOM 2661 C CG   . HIS Axp A 171 ? 110.431 101.257 37.032 1 60.934  ? 286 A 1 .
ATOM 2662 N ND1  . HIS Axp A 171 ? 110.152 102.61  36.919 1 81.375  ? 286 A 1 .
ATOM 2663 C CD2  . HIS Axp A 171 ? 111.711 101.182 37.43  1 68.051  ? 286 A 1 .
ATOM 2664 C CE1  . HIS Axp A 171 ? 111.247 103.315 37.201 1 70.084  ? 286 A 1 .
ATOM 2665 N NE2  . HIS Axp A 171 ? 112.198 102.476 37.545 1 80.35   ? 286 A 1 .
ATOM 2666 H H    . HIS Axp A 171 ? 108.14  98.134  35.895 1 71.711  ? 286 A 1 c
ATOM 2667 H HA   . HIS Axp A 171 ? 109.195 100.365 34.73  1 75.994  ? 286 A 1 c
ATOM 2668 H HB3  . HIS Axp A 171 ? 109.534 99.471  37.415 1 65.947  ? 286 A 1 c
ATOM 2669 H HB2  . HIS Axp A 171 ? 108.511 100.589 36.938 1 65.947  ? 286 A 1 c
ATOM 2670 H HD1  . HIS Axp A 171 ? 109.233 102.856 36.734 0 92.76   ? 286 A 1 c
ATOM 2671 H HD2  . HIS Axp A 171 ? 112.195 100.4   37.606 1 68.909  ? 286 A 1 c
ATOM 2672 H HE1  . HIS Axp A 171 ? 111.313 104.226 37.212 1 74.805  ? 286 A 1 c
ATOM 2673 H HE2  . HIS Axp A 171 ? 112.946 102.79  37.714 0 91.32   ? 286 A 1 c
ATOM 2674 N N    . ASP Axp A 172 ? 111.16  97.945  35.426 1 117.242 ? 287 A 1 .
ATOM 2675 C CA   . ASP Axp A 172 ? 112.504 97.439  35.207 1 133.662 ? 287 A 1 .
ATOM 2676 C C    . ASP Axp A 172 ? 112.746 97.213  33.714 1 132.639 ? 287 A 1 .
ATOM 2677 O O    . ASP Axp A 172 ? 113.857 97.517  33.252 1 117.757 ? 287 A 1 .
ATOM 2678 C CB   . ASP Axp A 172 ? 112.878 96.324  36.172 1 111.688 ? 287 A 1 .
ATOM 2679 C CG   . ASP Axp A 172 ? 113.759 96.822  37.304 1 104.594 ? 287 A 1 .
ATOM 2680 O OD1  . ASP Axp A 172 ? 114.936 97.127  37.041 1 98.778  ? 287 A 1 .
ATOM 2681 O OD2  . ASP Axp A 172 ? 113.231 96.993  38.412 1 132.722 ? 287 A 1 .
ATOM 2682 H H    . ASP Axp A 172 ? 110.543 97.426  35.856 1 115.528 ? 287 A 1 c
ATOM 2683 H HA   . ASP Axp A 172 ? 113.118 98.162  35.471 1 125.046 ? 287 A 1 c
ATOM 2684 H HB3  . ASP Axp A 172 ? 113.353 95.616  35.689 1 114.703 ? 287 A 1 c
ATOM 2685 H HB2  . ASP Axp A 172 ? 112.072 95.945  36.565 1 114.69  ? 287 A 1 c
ATOM 2686 N N    . VAL Axp A 173 ? 111.71  96.755  32.979 1 91.914  ? 288 A 1 .
ATOM 2687 C CA   . VAL Axp A 173 ? 111.826 96.564  31.537 1 81.113  ? 288 A 1 .
ATOM 2688 C C    . VAL Axp A 173 ? 111.829 97.892  30.757 1 101.892 ? 288 A 1 .
ATOM 2689 O O    . VAL Axp A 173 ? 112.645 98.077  29.85  1 94.756  ? 288 A 1 .
ATOM 2690 C CB   . VAL Axp A 173 ? 110.677 95.679  31.041 1 75.596  ? 288 A 1 .
ATOM 2691 C CG1  . VAL Axp A 173 ? 110.581 95.74   29.522 1 78.72   ? 288 A 1 .
ATOM 2692 C CG2  . VAL Axp A 173 ? 110.769 94.264  31.599 1 69.021  ? 288 A 1 .
ATOM 2693 H H    . VAL Axp A 173 ? 110.919 96.552  33.39  1 97.602  ? 288 A 1 c
ATOM 2694 H HA   . VAL Axp A 173 ? 112.667 96.1    31.358 1 85.883  ? 288 A 1 c
ATOM 2695 H HB   . VAL Axp A 173 ? 109.844 96.072  31.394 1 76.002  ? 288 A 1 c
ATOM 2696 H HG11 . VAL Axp A 173 ? 111.474 95.76   29.138 1 78.06   ? 288 A 1 c
ATOM 2697 H HG12 . VAL Axp A 173 ? 110.095 96.538  29.257 1 77.987  ? 288 A 1 c
ATOM 2698 H HG13 . VAL Axp A 173 ? 110.11  94.954  29.197 1 78.006  ? 288 A 1 c
ATOM 2699 H HG21 . VAL Axp A 173 ? 109.946 93.784  31.405 1 70.952  ? 288 A 1 c
ATOM 2700 H HG22 . VAL Axp A 173 ? 110.902 94.299  32.56  1 71.112  ? 288 A 1 c
ATOM 2701 H HG23 . VAL Axp A 173 ? 111.517 93.801  31.186 1 70.967  ? 288 A 1 c
ATOM 2702 N N    . THR Axp A 174 ? 110.889 98.803  31.077 1 114.32  ? 289 A 1 .
ATOM 2703 C CA   . THR Axp A 174 ? 110.52  99.9    30.194 1 94.509  ? 289 A 1 .
ATOM 2704 C C    . THR Axp A 174 ? 110.906 101.24  30.803 1 83.297  ? 289 A 1 .
ATOM 2705 O O    . THR Axp A 174 ? 111.239 102.172 30.082 1 89.795  ? 289 A 1 .
ATOM 2706 C CB   . THR Axp A 174 ? 109.027 99.83   29.895 1 95.801  ? 289 A 1 .
ATOM 2707 O OG1  . THR Axp A 174 ? 108.805 100.555 28.688 1 129.919 ? 289 A 1 .
ATOM 2708 C CG2  . THR Axp A 174 ? 108.196 100.445 30.997 1 98.744  ? 289 A 1 .
ATOM 2709 H H    . THR Axp A 174 ? 110.45  98.72   31.874 1 106.122 ? 289 A 1 c
ATOM 2710 H HA   . THR Axp A 174 ? 111.006 99.793  29.348 1 96.264  ? 289 A 1 c
ATOM 2711 H HB   . THR Axp A 174 ? 108.756 98.889  29.768 1 102.036 ? 289 A 1 c
ATOM 2712 H HG1  . THR Axp A 174 ? 109.091 101.386 28.705 0 93.54   ? 289 A 1 c
ATOM 2713 H HG21 . THR Axp A 174 ? 107.297 100.082 30.958 1 97.828  ? 289 A 1 c
ATOM 2714 H HG22 . THR Axp A 174 ? 108.158 101.408 30.874 1 97.785  ? 289 A 1 c
ATOM 2715 H HG23 . THR Axp A 174 ? 108.587 100.242 31.858 1 97.673  ? 289 A 1 c
ATOM 2716 N N    . GLY Axp A 175 ? 110.884 101.352 32.128 1 99.095  ? 290 A 1 .
ATOM 2717 C CA   . GLY Axp A 175 ? 111.42  102.547 32.767 1 109.046 ? 290 A 1 .
ATOM 2718 C C    . GLY Axp A 175 ? 110.317 103.533 33.143 1 94.617  ? 290 A 1 .
ATOM 2719 O O    . GLY Axp A 175 ? 110.619 104.636 33.592 1 65.379  ? 290 A 1 .
ATOM 2720 H H    . GLY Axp A 175 ? 110.54  100.684 32.647 1 97.244  ? 290 A 1 c
ATOM 2721 H HA3  . GLY Axp A 175 ? 112.059 102.986 32.157 1 103.038 ? 290 A 1 c
ATOM 2722 H HA2  . GLY Axp A 175 ? 111.913 102.284 33.578 1 103.155 ? 290 A 1 c
ATOM 2723 N N    . VAL Axp A 176 ? 109.057 103.097 32.968 1 83.069  ? 291 A 1 .
ATOM 2724 C CA   . VAL Axp A 176 ? 107.899 103.867 33.37  1 89.611  ? 291 A 1 .
ATOM 2725 C C    . VAL Axp A 176 ? 107.377 103.25  34.662 1 109.797 ? 291 A 1 .
ATOM 2726 O O    . VAL Axp A 176 ? 107.188 102.029 34.752 1 107.513 ? 291 A 1 .
ATOM 2727 C CB   . VAL Axp A 176 ? 106.794 103.913 32.293 1 95.249  ? 291 A 1 .
ATOM 2728 C CG1  . VAL Axp A 176 ? 105.547 103.116 32.672 1 88.858  ? 291 A 1 .
ATOM 2729 C CG2  . VAL Axp A 176 ? 106.398 105.353 31.96  1 87.107  ? 291 A 1 .
ATOM 2730 H H    . VAL Axp A 176 ? 108.919 102.276 32.599 1 87.703  ? 291 A 1 c
ATOM 2731 H HA   . VAL Axp A 176 ? 108.187 104.781 33.557 1 92.562  ? 291 A 1 c
ATOM 2732 H HB   . VAL Axp A 176 ? 107.169 103.51  31.475 1 91.42   ? 291 A 1 c
ATOM 2733 H HG11 . VAL Axp A 176 ? 105.275 103.339 33.578 1 91.124  ? 291 A 1 c
ATOM 2734 H HG12 . VAL Axp A 176 ? 105.736 102.165 32.613 1 91.057  ? 291 A 1 c
ATOM 2735 H HG13 . VAL Axp A 176 ? 104.827 103.339 32.062 1 91.618  ? 291 A 1 c
ATOM 2736 H HG21 . VAL Axp A 176 ? 105.889 105.365 31.132 1 89.527  ? 291 A 1 c
ATOM 2737 H HG22 . VAL Axp A 176 ? 107.197 105.894 31.854 1 89.818  ? 291 A 1 c
ATOM 2738 H HG23 . VAL Axp A 176 ? 105.854 105.713 32.678 1 89.568  ? 291 A 1 c
ATOM 2739 N N    . ILE Axp A 177 ? 107.084 104.136 35.627 1 103.386 ? 292 A 1 .
ATOM 2740 C CA   . ILE Axp A 177 ? 106.575 103.743 36.928 1 76.617  ? 292 A 1 .
ATOM 2741 C C    . ILE Axp A 177 ? 105.092 103.421 36.808 1 74.434  ? 292 A 1 .
ATOM 2742 O O    . ILE Axp A 177 ? 104.271 104.307 36.609 1 84.874  ? 292 A 1 .
ATOM 2743 C CB   . ILE Axp A 177 ? 106.814 104.858 37.947 1 66.154  ? 292 A 1 .
ATOM 2744 C CG1  . ILE Axp A 177 ? 108.256 105.415 37.87  1 70.932  ? 292 A 1 .
ATOM 2745 C CG2  . ILE Axp A 177 ? 106.48  104.299 39.308 1 76.841  ? 292 A 1 .
ATOM 2746 C CD1  . ILE Axp A 177 ? 108.579 106.591 38.799 1 66.794  ? 292 A 1 .
ATOM 2747 H H    . ILE Axp A 177 ? 107.178 105.027 35.447 1 97.07   ? 292 A 1 c
ATOM 2748 H HA   . ILE Axp A 177 ? 107.053 102.943 37.223 1 78.83   ? 292 A 1 c
ATOM 2749 H HB   . ILE Axp A 177 ? 106.194 105.589 37.753 1 70.92   ? 292 A 1 c
ATOM 2750 H HG12 . ILE Axp A 177 ? 108.424 105.702 36.951 1 69.266  ? 292 A 1 c
ATOM 2751 H HG13 . ILE Axp A 177 ? 108.877 104.686 38.07  1 69.01   ? 292 A 1 c
ATOM 2752 H HG21 . ILE Axp A 177 ? 106.55  105.001 39.976 1 73.417  ? 292 A 1 c
ATOM 2753 H HG22 . ILE Axp A 177 ? 107.101 103.584 39.528 1 73.502  ? 292 A 1 c
ATOM 2754 H HG23 . ILE Axp A 177 ? 105.574 103.948 39.307 1 73.447  ? 292 A 1 c
ATOM 2755 H HD11 . ILE Axp A 177 ? 108.146 107.398 38.464 1 67.998  ? 292 A 1 c
ATOM 2756 H HD12 . ILE Axp A 177 ? 109.544 106.73  38.827 1 67.998  ? 292 A 1 c
ATOM 2757 H HD13 . ILE Axp A 177 ? 108.257 106.403 39.701 1 68.058  ? 292 A 1 c
ATOM 2758 N N    . ILE Axp A 178 ? 104.761 102.138 36.885 1 71.468  ? 293 A 1 .
ATOM 2759 C CA   . ILE Axp A 178 ? 103.369 101.71  36.933 1 80.257  ? 293 A 1 .
ATOM 2760 C C    . ILE Axp A 178 ? 102.765 102.167 38.27  1 93.778  ? 293 A 1 .
ATOM 2761 O O    . ILE Axp A 178 ? 103.286 101.784 39.326 1 106.911 ? 293 A 1 .
ATOM 2762 C CB   . ILE Axp A 178 ? 103.262 100.179 36.726 1 93.242  ? 293 A 1 .
ATOM 2763 C CG1  . ILE Axp A 178 ? 101.929 99.638  37.207 1 96.83   ? 293 A 1 .
ATOM 2764 C CG2  . ILE Axp A 178 ? 104.42  99.394  37.367 1 108.996 ? 293 A 1 .
ATOM 2765 C CD1  . ILE Axp A 178 ? 100.737 100.255 36.503 1 123.478 ? 293 A 1 .
ATOM 2766 H H    . ILE Axp A 178 ? 105.422 101.507 36.897 1 74.891  ? 293 A 1 c
ATOM 2767 H HA   . ILE Axp A 178 ? 102.887 102.15  36.206 1 83.008  ? 293 A 1 c
ATOM 2768 H HB   . ILE Axp A 178 ? 103.305 100.018 35.762 1 94.145  ? 293 A 1 c
ATOM 2769 H HG12 . ILE Axp A 178 ? 101.847 99.796  38.169 1 101.502 ? 293 A 1 c
ATOM 2770 H HG13 . ILE Axp A 178 ? 101.911 98.671  37.06  1 101.538 ? 293 A 1 c
ATOM 2771 H HG21 . ILE Axp A 178 ? 104.135 98.482  37.549 1 103.898 ? 293 A 1 c
ATOM 2772 H HG22 . ILE Axp A 178 ? 104.683 99.819  38.201 1 103.597 ? 293 A 1 c
ATOM 2773 H HG23 . ILE Axp A 178 ? 105.179 99.376  36.761 1 103.725 ? 293 A 1 c
ATOM 2774 H HD11 . ILE Axp A 178 ? 100.501 101.103 36.924 1 114.348 ? 293 A 1 c
ATOM 2775 H HD12 . ILE Axp A 178 ? 99.976  99.645  36.557 1 114.594 ? 293 A 1 c
ATOM 2776 H HD13 . ILE Axp A 178 ? 100.961 100.41  35.565 1 113.888 ? 293 A 1 c
ATOM 2777 N N    . ILE Axp A 179 ? 101.698 103.004 38.23  1 80.129  ? 294 A 1 .
ATOM 2778 C CA   . ILE Axp A 179 ? 100.986 103.42  39.439 1 58.769  ? 294 A 1 .
ATOM 2779 C C    . ILE Axp A 179 ? 99.48   103.333 39.238 1 53.897  ? 294 A 1 .
ATOM 2780 O O    . ILE Axp A 179 ? 98.768  104.323 39.172 1 53.369  ? 294 A 1 .
ATOM 2781 C CB   . ILE Axp A 179 ? 101.413 104.805 39.97  1 60.158  ? 294 A 1 .
ATOM 2782 C CG1  . ILE Axp A 179 ? 100.563 105.97  39.505 1 61.194  ? 294 A 1 .
ATOM 2783 C CG2  . ILE Axp A 179 ? 102.893 105.083 39.704 1 66.536  ? 294 A 1 .
ATOM 2784 C CD1  . ILE Axp A 179 ? 100.844 106.434 38.101 1 62.491  ? 294 A 1 .
ATOM 2785 H H    . ILE Axp A 179 ? 101.41  103.32  37.422 1 77.439  ? 294 A 1 c
ATOM 2786 H HA   . ILE Axp A 179 ? 101.213 102.774 40.136 1 62.047  ? 294 A 1 c
ATOM 2787 H HB   . ILE Axp A 179 ? 101.311 104.767 40.942 1 61.241  ? 294 A 1 c
ATOM 2788 H HG12 . ILE Axp A 179 ? 100.725 106.721 40.11  1 61.242  ? 294 A 1 c
ATOM 2789 H HG13 . ILE Axp A 179 ? 99.619  105.736 39.58  1 61.129  ? 294 A 1 c
ATOM 2790 H HG21 . ILE Axp A 179 ? 103.101 105.999 39.952 1 64.655  ? 294 A 1 c
ATOM 2791 H HG22 . ILE Axp A 179 ? 103.09  104.953 38.763 1 64.888  ? 294 A 1 c
ATOM 2792 H HG23 . ILE Axp A 179 ? 103.437 104.476 40.233 1 64.713  ? 294 A 1 c
ATOM 2793 H HD11 . ILE Axp A 179 ? 101.804 106.499 37.959 1 62.7    ? 294 A 1 c
ATOM 2794 H HD12 . ILE Axp A 179 ? 100.438 107.308 37.959 1 63.096  ? 294 A 1 c
ATOM 2795 H HD13 . ILE Axp A 179 ? 100.471 105.794 37.468 1 62.801  ? 294 A 1 c
ATOM 2796 N N    . GLY Axp A 180 ? 98.945  102.127 39.211 1 60.049  ? 295 A 1 .
ATOM 2797 C CA   . GLY Axp A 180 ? 97.497  102.022 39.208 1 68.008  ? 295 A 1 .
ATOM 2798 C C    . GLY Axp A 180 ? 96.985  101.548 37.851 1 77.381  ? 295 A 1 .
ATOM 2799 O O    . GLY Axp A 180 ? 97.622  101.766 36.813 1 64.802  ? 295 A 1 .
ATOM 2800 H H    . GLY Axp A 180 ? 99.462  101.374 39.191 1 60.313  ? 295 A 1 c
ATOM 2801 H HA3  . GLY Axp A 180 ? 97.1    102.896 39.425 1 68.094  ? 295 A 1 c
ATOM 2802 H HA2  . GLY Axp A 180 ? 97.222  101.382 39.906 1 68.028  ? 295 A 1 c
ATOM 2803 N N    . VAL Axp A 181 ? 95.834  100.868 37.897 1 71.937  ? 296 A 1 .
ATOM 2804 C CA   . VAL Axp A 181 ? 95.239  100.271 36.724 1 73.241  ? 296 A 1 .
ATOM 2805 C C    . VAL Axp A 181 ? 93.737  100.53  36.673 1 87.55   ? 296 A 1 .
ATOM 2806 O O    . VAL Axp A 181 ? 92.973  100.116 37.553 1 89.566  ? 296 A 1 .
ATOM 2807 C CB   . VAL Axp A 181 ? 95.485  98.764  36.663 1 76.017  ? 296 A 1 .
ATOM 2808 C CG1  . VAL Axp A 181 ? 94.623  98.126  35.561 1 91.944  ? 296 A 1 .
ATOM 2809 C CG2  . VAL Axp A 181 ? 96.972  98.492  36.494 1 75.188  ? 296 A 1 .
ATOM 2810 H H    . VAL Axp A 181 ? 95.407  100.771 38.7   1 73.822  ? 296 A 1 c
ATOM 2811 H HA   . VAL Axp A 181 ? 95.647  100.677 35.935 1 76.103  ? 296 A 1 c
ATOM 2812 H HB   . VAL Axp A 181 ? 95.202  98.386  37.529 1 78.028  ? 296 A 1 c
ATOM 2813 H HG11 . VAL Axp A 181 ? 94.566  98.729  34.801 1 86.849  ? 296 A 1 c
ATOM 2814 H HG12 . VAL Axp A 181 ? 93.731  97.951  35.904 1 86.916  ? 296 A 1 c
ATOM 2815 H HG13 . VAL Axp A 181 ? 95.028  97.289  35.278 1 86.79   ? 296 A 1 c
ATOM 2816 H HG21 . VAL Axp A 181 ? 97.113  97.541  36.347 1 75.581  ? 296 A 1 c
ATOM 2817 H HG22 . VAL Axp A 181 ? 97.447  98.768  37.295 1 75.494  ? 296 A 1 c
ATOM 2818 H HG23 . VAL Axp A 181 ? 97.309  98.99   35.73  1 75.476  ? 296 A 1 c
ATOM 2819 N N    . GLY Axp A 182 ? 93.33   101.117 35.543 1 94.433  ? 297 A 1 .
ATOM 2820 C CA   . GLY Axp A 182 ? 91.936  101.333 35.218 1 92.603  ? 297 A 1 .
ATOM 2821 C C    . GLY Axp A 182 ? 91.339  100.07  34.619 1 92.198  ? 297 A 1 .
ATOM 2822 O O    . GLY Axp A 182 ? 91.981  99.404  33.811 1 112.842 ? 297 A 1 .
ATOM 2823 H H    . GLY Axp A 182 ? 93.96   101.399 34.944 1 92.008  ? 297 A 1 c
ATOM 2824 H HA3  . GLY Axp A 182 ? 91.862  102.075 34.573 1 92.957  ? 297 A 1 c
ATOM 2825 H HA2  . GLY Axp A 182 ? 91.444  101.585 36.035 1 93.006  ? 297 A 1 c
ATOM 2826 N N    . ARG Axp A 183 ? 90.115  99.765  35.056 1 101.084 ? 298 A 1 .
ATOM 2827 C CA   . ARG Axp A 183 ? 89.248  98.783  34.429 1 111.991 ? 298 A 1 .
ATOM 2828 C C    . ARG Axp A 183 ? 87.817  99.178  34.771 1 117.294 ? 298 A 1 .
ATOM 2829 O O    . ARG Axp A 183 ? 87.57   99.589  35.909 1 107.517 ? 298 A 1 .
ATOM 2830 C CB   . ARG Axp A 183 ? 89.516  97.379  34.985 1 131.956 ? 298 A 1 .
ATOM 2831 C CG   . ARG Axp A 183 ? 88.566  96.294  34.493 1 140.618 ? 298 A 1 .
ATOM 2832 C CD   . ARG Axp A 183 ? 88.483  95.145  35.479 1 162.632 ? 298 A 1 .
ATOM 2833 N NE   . ARG Axp A 183 ? 89.776  94.487  35.703 1 160.517 ? 298 A 1 .
ATOM 2834 C CZ   . ARG Axp A 183 ? 90.059  93.253  35.315 1 149.108 ? 298 A 1 .
ATOM 2835 N NH1  . ARG Axp A 183 ? 89.147  92.521  34.69  1 133.959 ? 298 A 1 .
ATOM 2836 N NH2  . ARG Axp A 183 ? 91.257  92.759  35.557 1 155.963 ? 298 A 1 .
ATOM 2837 H H    . ARG Axp A 183 ? 89.804  100.196 35.8   1 101.191 ? 298 A 1 c
ATOM 2838 H HA   . ARG Axp A 183 ? 89.381  98.808  33.447 1 113.952 ? 298 A 1 c
ATOM 2839 H HB3  . ARG Axp A 183 ? 89.464  97.42   35.964 1 129.287 ? 298 A 1 c
ATOM 2840 H HB2  . ARG Axp A 183 ? 90.433  97.122  34.751 1 128.885 ? 298 A 1 c
ATOM 2841 H HG3  . ARG Axp A 183 ? 88.877  95.954  33.627 1 142.995 ? 298 A 1 c
ATOM 2842 H HG2  . ARG Axp A 183 ? 87.669  96.671  34.367 1 143.019 ? 298 A 1 c
ATOM 2843 H HD3  . ARG Axp A 183 ? 87.837  94.49   35.147 1 156.625 ? 298 A 1 c
ATOM 2844 H HD2  . ARG Axp A 183 ? 88.146  95.486  36.333 1 156.627 ? 298 A 1 c
ATOM 2845 H HE   . ARG Axp A 183 ? 90.397  94.933  36.12  1 158.041 ? 298 A 1 c
ATOM 2846 H HH11 . ARG Axp A 183 ? 88.951  92.692  33.845 1 138.666 ? 298 A 1 c
ATOM 2847 H HH12 . ARG Axp A 183 ? 88.738  91.868  35.122 1 138.666 ? 298 A 1 c
ATOM 2848 H HH21 . ARG Axp A 183 ? 91.971  93.144  35.204 1 153.762 ? 298 A 1 c
ATOM 2849 H HH22 . ARG Axp A 183 ? 91.342  92.045  36.071 1 153.807 ? 298 A 1 c
ATOM 2850 N N    . GLY Axp A 184 ? 86.898  99.068  33.795 1 128.333 ? 299 A 1 .
ATOM 2851 C CA   . GLY Axp A 184 ? 85.473  99.259  34.042 1 140.653 ? 299 A 1 .
ATOM 2852 C C    . GLY Axp A 184 ? 85.192  100.361 35.074 1 147.882 ? 299 A 1 .
ATOM 2853 O O    . GLY Axp A 184 ? 84.352  100.201 35.962 1 146.634 ? 299 A 1 .
ATOM 2854 H H    . GLY Axp A 184 ? 87.172  98.868  32.946 1 127.986 ? 299 A 1 c
ATOM 2855 H HA3  . GLY Axp A 184 ? 85.089  98.409  34.361 1 139.15  ? 299 A 1 c
ATOM 2856 H HA2  . GLY Axp A 184 ? 85.031  99.489  33.192 1 139.15  ? 299 A 1 c
ATOM 2857 N N    . ASP Axp A 185 ? 85.929  101.474 34.951 1 141.712 ? 300 A 1 .
ATOM 2858 C CA   . ASP Axp A 185 ? 85.645  102.723 35.635 1 132.253 ? 300 A 1 .
ATOM 2859 C C    . ASP Axp A 185 ? 86.024  102.704 37.117 1 129.612 ? 300 A 1 .
ATOM 2860 O O    . ASP Axp A 185 ? 85.487  103.519 37.865 1 138.282 ? 300 A 1 .
ATOM 2861 C CB   . ASP Axp A 185 ? 84.182  103.112 35.491 1 145.92  ? 300 A 1 .
ATOM 2862 C CG   . ASP Axp A 185 ? 83.595  102.944 34.099 1 164.922 ? 300 A 1 .
ATOM 2863 O OD1  . ASP Axp A 185 ? 83.832  103.826 33.248 1 180.787 ? 300 A 1 .
ATOM 2864 O OD2  . ASP Axp A 185 ? 82.933  101.91  33.871 1 175.956 ? 300 A 1 .
ATOM 2865 H H    . ASP Axp A 185 ? 86.648  101.455 34.387 1 140.659 ? 300 A 1 c
ATOM 2866 H HA   . ASP Axp A 185 ? 86.17   103.431 35.197 1 136.026 ? 300 A 1 c
ATOM 2867 H HB3  . ASP Axp A 185 ? 84.09   104.056 35.736 1 146.726 ? 300 A 1 c
ATOM 2868 H HB2  . ASP Axp A 185 ? 83.642  102.59  36.12  1 146.786 ? 300 A 1 c
ATOM 2869 N N    . GLU Axp A 186 ? 86.94   101.826 37.573 1 107.416 ? 301 A 1 .
ATOM 2870 C CA   . GLU Axp A 186 ? 87.466  101.991 38.927 1 106.035 ? 301 A 1 .
ATOM 2871 C C    . GLU Axp A 186 ? 88.979  101.745 38.987 1 81.798  ? 301 A 1 .
ATOM 2872 O O    . GLU Axp A 186 ? 89.468  100.649 38.82  1 79.846  ? 301 A 1 .
ATOM 2873 C CB   . GLU Axp A 186 ? 86.663  101.226 39.982 1 124.747 ? 301 A 1 .
ATOM 2874 C CG   . GLU Axp A 186 ? 86.594  99.713  39.771 1 137.722 ? 301 A 1 .
ATOM 2875 C CD   . GLU Axp A 186 ? 86.198  98.923  41.004 1 147.144 ? 301 A 1 .
ATOM 2876 O OE1  . GLU Axp A 186 ? 86.925  98.976  42.039 1 134.343 ? 301 A 1 .
ATOM 2877 O OE2  . GLU Axp A 186 ? 85.145  98.243  40.902 1 134.978 ? 301 A 1 .
ATOM 2878 H H    . GLU Axp A 186 ? 87.235  101.137 37.051 1 112.386 ? 301 A 1 c
ATOM 2879 H HA   . GLU Axp A 186 ? 87.333  102.942 39.168 1 104.519 ? 301 A 1 c
ATOM 2880 H HB3  . GLU Axp A 186 ? 85.749  101.579 39.995 1 122.989 ? 301 A 1 c
ATOM 2881 H HB2  . GLU Axp A 186 ? 87.06   101.4   40.862 1 123.124 ? 301 A 1 c
ATOM 2882 H HG3  . GLU Axp A 186 ? 87.468  99.391  39.467 1 135.938 ? 301 A 1 c
ATOM 2883 H HG2  . GLU Axp A 186 ? 85.947  99.522  39.059 1 136.57  ? 301 A 1 c
ATOM 2884 N N    . LEU Axp A 187 ? 89.732  102.802 39.253 1 84.035  ? 302 A 1 .
ATOM 2885 C CA   . LEU Axp A 187 ? 91.184  102.764 39.24  1 101.571 ? 302 A 1 .
ATOM 2886 C C    . LEU Axp A 187 ? 91.669  102.098 40.522 1 93.848  ? 302 A 1 .
ATOM 2887 O O    . LEU Axp A 187 ? 91.329  102.488 41.637 1 115.143 ? 302 A 1 .
ATOM 2888 C CB   . LEU Axp A 187 ? 91.782  104.17  39.075 1 115.711 ? 302 A 1 .
ATOM 2889 C CG   . LEU Axp A 187 ? 93.266  104.356 39.437 1 121.779 ? 302 A 1 .
ATOM 2890 C CD1  . LEU Axp A 187 ? 94.128  103.558 38.489 1 132.947 ? 302 A 1 .
ATOM 2891 C CD2  . LEU Axp A 187 ? 93.767  105.8   39.466 1 115.436 ? 302 A 1 .
ATOM 2892 H H    . LEU Axp A 187 ? 89.322  103.593 39.457 1 87.792  ? 302 A 1 c
ATOM 2893 H HA   . LEU Axp A 187 ? 91.466  102.207 38.47  1 98.288  ? 302 A 1 c
ATOM 2894 H HB3  . LEU Axp A 187 ? 91.253  104.792 39.625 1 113.443 ? 302 A 1 c
ATOM 2895 H HB2  . LEU Axp A 187 ? 91.659  104.443 38.137 1 113.685 ? 302 A 1 c
ATOM 2896 H HG   . LEU Axp A 187 ? 93.403  103.983 40.341 1 120.504 ? 302 A 1 c
ATOM 2897 H HD11 . LEU Axp A 187 ? 93.999  102.611 38.654 1 127.231 ? 302 A 1 c
ATOM 2898 H HD12 . LEU Axp A 187 ? 95.063  103.785 38.629 1 128.307 ? 302 A 1 c
ATOM 2899 H HD13 . LEU Axp A 187 ? 93.88   103.764 37.572 1 128.747 ? 302 A 1 c
ATOM 2900 H HD21 . LEU Axp A 187 ? 93.147  106.35  39.974 1 117.232 ? 302 A 1 c
ATOM 2901 H HD22 . LEU Axp A 187 ? 93.832  106.14  38.558 1 117.234 ? 302 A 1 c
ATOM 2902 H HD23 . LEU Axp A 187 ? 94.642  105.827 39.884 1 117.131 ? 302 A 1 c
ATOM 2903 N N    . ILE Axp A 188 ? 92.521  101.106 40.33  1 79.532  ? 303 A 1 .
ATOM 2904 C CA   . ILE Axp A 188 ? 93.035  100.336 41.432 1 74.185  ? 303 A 1 .
ATOM 2905 C C    . ILE Axp A 188 ? 94.456  100.809 41.694 1 60.58   ? 303 A 1 .
ATOM 2906 O O    . ILE Axp A 188 ? 95.385  100.021 41.635 1 57.031  ? 303 A 1 .
ATOM 2907 C CB   . ILE Axp A 188 ? 92.922  98.826  41.12  1 83.301  ? 303 A 1 .
ATOM 2908 C CG1  . ILE Axp A 188 ? 91.455  98.42   40.753 1 88.793  ? 303 A 1 .
ATOM 2909 C CG2  . ILE Axp A 188 ? 93.485  97.998  42.277 1 87.259  ? 303 A 1 .
ATOM 2910 C CD1  . ILE Axp A 188 ? 91.277  97.048  40.104 1 84.531  ? 303 A 1 .
ATOM 2911 H H    . ILE Axp A 188 ? 92.789  100.894 39.482 1 82.013  ? 303 A 1 c
ATOM 2912 H HA   . ILE Axp A 188 ? 92.496  100.524 42.223 1 74.339  ? 303 A 1 c
ATOM 2913 H HB   . ILE Axp A 188 ? 93.476  98.649  40.335 1 83.043  ? 303 A 1 c
ATOM 2914 H HG12 . ILE Axp A 188 ? 91.092  99.094  40.145 1 86.472  ? 303 A 1 c
ATOM 2915 H HG13 . ILE Axp A 188 ? 90.917  98.444  41.571 1 86.538  ? 303 A 1 c
ATOM 2916 H HG21 . ILE Axp A 188 ? 92.902  97.24   42.45  1 85.956  ? 303 A 1 c
ATOM 2917 H HG22 . ILE Axp A 188 ? 93.542  98.547  43.077 1 85.711  ? 303 A 1 c
ATOM 2918 H HG23 . ILE Axp A 188 ? 94.372  97.674  42.045 1 85.765  ? 303 A 1 c
ATOM 2919 H HD11 . ILE Axp A 188 ? 91.881  96.967  39.341 1 85.76   ? 303 A 1 c
ATOM 2920 H HD12 . ILE Axp A 188 ? 90.355  96.948  39.799 1 85.76   ? 303 A 1 c
ATOM 2921 H HD13 . ILE Axp A 188 ? 91.48   96.349  40.754 1 85.761  ? 303 A 1 c
ATOM 2922 N N    . ILE Axp A 189 ? 94.604  102.091 42.028 1 62.029  ? 304 A 1 .
ATOM 2923 C CA   . ILE Axp A 189 ? 95.888  102.647 42.472 1 79.046  ? 304 A 1 .
ATOM 2924 C C    . ILE Axp A 189 ? 96.743  101.635 43.249 1 74.084  ? 304 A 1 .
ATOM 2925 O O    . ILE Axp A 189 ? 96.249  100.988 44.165 1 80.266  ? 304 A 1 .
ATOM 2926 C CB   . ILE Axp A 189 ? 95.647  103.883 43.36  1 91.11   ? 304 A 1 .
ATOM 2927 C CG1  . ILE Axp A 189 ? 94.814  104.955 42.637 1 107.901 ? 304 A 1 .
ATOM 2928 C CG2  . ILE Axp A 189 ? 96.967  104.446 43.894 1 70.836  ? 304 A 1 .
ATOM 2929 C CD1  . ILE Axp A 189 ? 94.068  105.888 43.567 1 116.648 ? 304 A 1 .
ATOM 2930 H H    . ILE Axp A 189 ? 93.873  102.636 42.008 1 66.465  ? 304 A 1 c
ATOM 2931 H HA   . ILE Axp A 189 ? 96.386  102.931 41.682 1 76.429  ? 304 A 1 c
ATOM 2932 H HB   . ILE Axp A 189 ? 95.126  103.587 44.128 1 87.504  ? 304 A 1 c
ATOM 2933 H HG12 . ILE Axp A 189 ? 94.165  104.516 42.054 1 104.993 ? 304 A 1 c
ATOM 2934 H HG13 . ILE Axp A 189 ? 95.411  105.487 42.072 1 105.66  ? 304 A 1 c
ATOM 2935 H HG21 . ILE Axp A 189 ? 96.802  105.29  44.347 1 76.489  ? 304 A 1 c
ATOM 2936 H HG22 . ILE Axp A 189 ? 97.582  104.593 43.155 1 76.327  ? 304 A 1 c
ATOM 2937 H HG23 . ILE Axp A 189 ? 97.363  103.818 44.52  1 76.32   ? 304 A 1 c
ATOM 2938 H HD11 . ILE Axp A 189 ? 93.488  105.368 44.155 1 113.913 ? 304 A 1 c
ATOM 2939 H HD12 . ILE Axp A 189 ? 93.525  106.507 43.043 1 113.913 ? 304 A 1 c
ATOM 2940 H HD13 . ILE Axp A 189 ? 94.706  106.393 44.105 1 113.672 ? 304 A 1 c
ATOM 2941 N N    . ASP Axp A 190 ? 98.053  101.592 42.944 1 83.394  ? 305 A 1 .
ATOM 2942 C CA   . ASP Axp A 190 ? 99.014  100.629 43.486 1 80.612  ? 305 A 1 .
ATOM 2943 C C    . ASP Axp A 190 ? 98.456  99.207  43.473 1 90.436  ? 305 A 1 .
ATOM 2944 O O    . ASP Axp A 190 ? 98.026  98.698  44.505 1 89.366  ? 305 A 1 .
ATOM 2945 C CB   . ASP Axp A 190 ? 99.483  100.963 44.889 1 66.791  ? 305 A 1 .
ATOM 2946 C CG   . ASP Axp A 190 ? 100.61  100.061 45.385 1 78.483  ? 305 A 1 .
ATOM 2947 O OD1  . ASP Axp A 190 ? 100.353 98.855  45.637 1 70.346  ? 305 A 1 .
ATOM 2948 O OD2  . ASP Axp A 190 ? 101.764 100.554 45.498 1 67.378  ? 305 A 1 .
ATOM 2949 H H    . ASP Axp A 190 ? 98.369  102.214 42.354 1 80.409  ? 305 A 1 c
ATOM 2950 H HA   . ASP Axp A 190 ? 99.815  100.651 42.916 1 79.986  ? 305 A 1 c
ATOM 2951 H HB3  . ASP Axp A 190 ? 98.73   100.896 45.511 1 72.41   ? 305 A 1 c
ATOM 2952 H HB2  . ASP Axp A 190 ? 99.803  101.89  44.902 1 72.326  ? 305 A 1 c
ATOM 2953 N N    . PRO Axp A 191 ? 98.436  98.498  42.325 1 91.593  ? 306 A 1 .
ATOM 2954 C CA   . PRO Axp A 191 ? 97.782  97.204  42.268 1 89.563  ? 306 A 1 .
ATOM 2955 C C    . PRO Axp A 191 ? 98.762  96.13   42.726 1 102.057 ? 306 A 1 .
ATOM 2956 O O    . PRO Axp A 191 ? 99.987  96.29   42.605 1 86.741  ? 306 A 1 .
ATOM 2957 C CB   . PRO Axp A 191 ? 97.303  97.098  40.82  1 77.215  ? 306 A 1 .
ATOM 2958 C CG   . PRO Axp A 191 ? 98.01   98.262  40.113 1 83.529  ? 306 A 1 .
ATOM 2959 C CD   . PRO Axp A 191 ? 99.05   98.847  41.045 1 80.263  ? 306 A 1 .
ATOM 2960 H HA   . PRO Axp A 191 ? 97.003  97.211  42.861 1 89.678  ? 306 A 1 c
ATOM 2961 H HB3  . PRO Axp A 191 ? 96.333  97.193  40.765 1 81.302  ? 306 A 1 c
ATOM 2962 H HB2  . PRO Axp A 191 ? 97.562  96.241  40.428 1 81.362  ? 306 A 1 c
ATOM 2963 H HG3  . PRO Axp A 191 ? 97.36   98.95   39.868 1 81.317  ? 306 A 1 c
ATOM 2964 H HG2  . PRO Axp A 191 ? 98.44   97.945  39.294 1 81.285  ? 306 A 1 c
ATOM 2965 H HD3  . PRO Axp A 191 ? 99.922  98.42   40.939 1 83.493  ? 306 A 1 c
ATOM 2966 H HD2  . PRO Axp A 191 ? 99.134  99.813  40.938 1 83.301  ? 306 A 1 c
ATOM 2967 N N    . PRO Axp A 192 ? 98.234  95.033  43.31  1 98.031  ? 307 A 1 .
ATOM 2968 C CA   . PRO Axp A 192 ? 99.071  93.967  43.852 1 102.71  ? 307 A 1 .
ATOM 2969 C C    . PRO Axp A 192 ? 99.716  93.097  42.779 1 121.581 ? 307 A 1 .
ATOM 2970 O O    . PRO Axp A 192 ? 99.086  92.829  41.762 1 147.031 ? 307 A 1 .
ATOM 2971 C CB   . PRO Axp A 192 ? 98.075  93.159  44.675 1 96.275  ? 307 A 1 .
ATOM 2972 C CG   . PRO Axp A 192 ? 96.785  93.332  43.883 1 88.161  ? 307 A 1 .
ATOM 2973 C CD   . PRO Axp A 192 ? 96.792  94.767  43.461 1 86.04   ? 307 A 1 .
ATOM 2974 H HA   . PRO Axp A 192 ? 99.761  94.349  44.434 1 103.81  ? 307 A 1 c
ATOM 2975 H HB3  . PRO Axp A 192 ? 97.986  93.523  45.577 1 95.843  ? 307 A 1 c
ATOM 2976 H HB2  . PRO Axp A 192 ? 98.338  92.224  44.727 1 96.141  ? 307 A 1 c
ATOM 2977 H HG3  . PRO Axp A 192 ? 96.005  93.139  44.44  1 89.504  ? 307 A 1 c
ATOM 2978 H HG2  . PRO Axp A 192 ? 96.772  92.741  43.104 1 89.874  ? 307 A 1 c
ATOM 2979 H HD3  . PRO Axp A 192 ? 96.321  94.893  42.614 1 89.174  ? 307 A 1 c
ATOM 2980 H HD2  . PRO Axp A 192 ? 96.398  95.344  44.143 1 89.176  ? 307 A 1 c
ATOM 2981 N N    . ARG Axp A 193 ? 100.934 92.598  43.035 1 131.466 ? 308 A 1 .
ATOM 2982 C CA   . ARG Axp A 193 ? 101.689 91.811  42.057 1 130.43  ? 308 A 1 .
ATOM 2983 C C    . ARG Axp A 193 ? 101.027 90.459  41.727 1 111.871 ? 308 A 1 .
ATOM 2984 O O    . ARG Axp A 193 ? 101.611 89.648  41.017 1 115.653 ? 308 A 1 .
ATOM 2985 C CB   . ARG Axp A 193 ? 103.153 91.653  42.499 1 125.612 ? 308 A 1 .
ATOM 2986 C CG   . ARG Axp A 193 ? 103.408 90.58   43.551 1 153.728 ? 308 A 1 .
ATOM 2987 C CD   . ARG Axp A 193 ? 103.145 91.002  45.009 1 160.196 ? 308 A 1 .
ATOM 2988 N NE   . ARG Axp A 193 ? 102.44  89.959  45.768 1 172.973 ? 308 A 1 .
ATOM 2989 C CZ   . ARG Axp A 193 ? 102.875 88.72   45.98  1 169.709 ? 308 A 1 .
ATOM 2990 N NH1  . ARG Axp A 193 ? 104.109 88.379  45.657 1 180.681 ? 308 A 1 .
ATOM 2991 N NH2  . ARG Axp A 193 ? 102.088 87.83   46.551 1 159.2   ? 308 A 1 .
ATOM 2992 H H    . ARG Axp A 193 ? 101.313 92.764  43.849 1 128.855 ? 308 A 1 c
ATOM 2993 H HA   . ARG Axp A 193 ? 101.712 92.334  41.221 1 125.511 ? 308 A 1 c
ATOM 2994 H HB3  . ARG Axp A 193 ? 103.458 92.513  42.857 1 132.631 ? 308 A 1 c
ATOM 2995 H HB2  . ARG Axp A 193 ? 103.694 91.459  41.71  1 132.437 ? 308 A 1 c
ATOM 2996 H HG3  . ARG Axp A 193 ? 104.342 90.289  43.477 1 147.897 ? 308 A 1 c
ATOM 2997 H HG2  . ARG Axp A 193 ? 102.853 89.797  43.348 1 147.909 ? 308 A 1 c
ATOM 2998 H HD3  . ARG Axp A 193 ? 102.617 91.823  45.024 1 160.93  ? 308 A 1 c
ATOM 2999 H HD2  . ARG Axp A 193 ? 104.002 91.19   45.443 1 161.501 ? 308 A 1 c
ATOM 3000 H HE   . ARG Axp A 193 ? 101.667 90.168  46.111 1 169.093 ? 308 A 1 c
ATOM 3001 H HH11 . ARG Axp A 193 ? 104.787 88.892  45.899 1 177.125 ? 308 A 1 c
ATOM 3002 H HH12 . ARG Axp A 193 ? 104.252 87.637  45.198 1 177.206 ? 308 A 1 c
ATOM 3003 H HH21 . ARG Axp A 193 ? 101.622 88.052  47.269 1 162.363 ? 308 A 1 c
ATOM 3004 H HH22 . ARG Axp A 193 ? 102.031 87.015  46.214 1 162.363 ? 308 A 1 c
ATOM 3005 N N    . ASP Axp A 194 ? 99.814  90.217  42.232 1 105.941 ? 309 A 1 .
ATOM 3006 C CA   . ASP Axp A 194 ? 99.029  89.023  41.955 1 105.583 ? 309 A 1 .
ATOM 3007 C C    . ASP Axp A 194 ? 97.844  89.401  41.074 1 106.814 ? 309 A 1 .
ATOM 3008 O O    . ASP Axp A 194 ? 96.879  88.635  40.95  1 104.781 ? 309 A 1 .
ATOM 3009 C CB   . ASP Axp A 194 ? 98.477  88.416  43.244 1 129.387 ? 309 A 1 .
ATOM 3010 C CG   . ASP Axp A 194 ? 97.711  89.376  44.158 1 136.485 ? 309 A 1 .
ATOM 3011 O OD1  . ASP Axp A 194 ? 98.332  90.389  44.575 1 124.621 ? 309 A 1 .
ATOM 3012 O OD2  . ASP Axp A 194 ? 96.5    89.118  44.446 1 107.171 ? 309 A 1 .
ATOM 3013 H H    . ASP Axp A 194 ? 99.456  90.833  42.802 1 107.865 ? 309 A 1 c
ATOM 3014 H HA   . ASP Axp A 194 ? 99.59   88.365  41.487 1 109.911 ? 309 A 1 c
ATOM 3015 H HB3  . ASP Axp A 194 ? 99.231  88.056  43.757 1 124.957 ? 309 A 1 c
ATOM 3016 H HB2  . ASP Axp A 194 ? 97.887  87.666  43.023 1 124.707 ? 309 A 1 c
ATOM 3017 N N    . TYR Axp A 195 ? 97.893  90.621  40.52  1 112.291 ? 310 A 1 .
ATOM 3018 C CA   . TYR Axp A 195 ? 96.787  91.137  39.72  1 125.846 ? 310 A 1 .
ATOM 3019 C C    . TYR Axp A 195 ? 97.037  90.777  38.256 1 123.62  ? 310 A 1 .
ATOM 3020 O O    . TYR Axp A 195 ? 98.004  91.254  37.649 1 113.273 ? 310 A 1 .
ATOM 3021 C CB   . TYR Axp A 195 ? 96.589  92.647  39.912 1 126.292 ? 310 A 1 .
ATOM 3022 C CG   . TYR Axp A 195 ? 95.526  93.271  39.022 1 127.688 ? 310 A 1 .
ATOM 3023 C CD1  . TYR Axp A 195 ? 95.853  93.734  37.757 1 140.392 ? 310 A 1 .
ATOM 3024 C CD2  . TYR Axp A 195 ? 94.197  93.368  39.426 1 140.629 ? 310 A 1 .
ATOM 3025 C CE1  . TYR Axp A 195 ? 94.891  94.281  36.922 1 148.755 ? 310 A 1 .
ATOM 3026 C CE2  . TYR Axp A 195 ? 93.225  93.918  38.601 1 143.6   ? 310 A 1 .
ATOM 3027 C CZ   . TYR Axp A 195 ? 93.573  94.374  37.34  1 143.163 ? 310 A 1 .
ATOM 3028 O OH   . TYR Axp A 195 ? 92.635  94.909  36.5   1 110.13  ? 310 A 1 .
ATOM 3029 H H    . TYR Axp A 195 ? 98.633  91.144  40.632 1 113.658 ? 310 A 1 c
ATOM 3030 H HA   . TYR Axp A 195 ? 95.954  90.682  40.015 1 122.377 ? 310 A 1 c
ATOM 3031 H HB3  . TYR Axp A 195 ? 97.443  93.097  39.744 1 126.016 ? 310 A 1 c
ATOM 3032 H HB2  . TYR Axp A 195 ? 96.348  92.81   40.85  1 126.117 ? 310 A 1 c
ATOM 3033 H HD1  . TYR Axp A 195 ? 96.745  93.67   37.455 1 139.125 ? 310 A 1 c
ATOM 3034 H HD2  . TYR Axp A 195 ? 93.951  93.054  40.281 1 138.157 ? 310 A 1 c
ATOM 3035 H HE1  . TYR Axp A 195 ? 95.133  94.59   36.065 1 144.994 ? 310 A 1 c
ATOM 3036 H HE2  . TYR Axp A 195 ? 92.331  93.974  38.893 1 142.448 ? 310 A 1 c
ATOM 3037 H HH   . TYR Axp A 195 ? 93.013  95.106  35.793 0 112.84  ? 310 A 1 c
ATOM 3038 N N    . SER Axp A 196 ? 96.162  89.911  37.724 1 107.311 ? 311 A 1 .
ATOM 3039 C CA   . SER Axp A 196 ? 96.162  89.557  36.319 1 114.441 ? 311 A 1 .
ATOM 3040 C C    . SER Axp A 196 ? 95.795  90.793  35.511 1 115.251 ? 311 A 1 .
ATOM 3041 O O    . SER Axp A 196 ? 94.858  91.492  35.877 1 149.832 ? 311 A 1 .
ATOM 3042 C CB   . SER Axp A 196 ? 95.179  88.428  36.04  1 128.48  ? 311 A 1 .
ATOM 3043 O OG   . SER Axp A 196 ? 94.698  88.467  34.7   1 121.903 ? 311 A 1 .
ATOM 3044 H H    . SER Axp A 196 ? 95.54   89.524  38.27  1 112.979 ? 311 A 1 c
ATOM 3045 H HA   . SER Axp A 196 ? 97.073  89.264  36.064 1 115.359 ? 311 A 1 c
ATOM 3046 H HB3  . SER Axp A 196 ? 94.425  88.498  36.655 1 123.438 ? 311 A 1 c
ATOM 3047 H HB2  . SER Axp A 196 ? 95.621  87.572  36.2   1 123.586 ? 311 A 1 c
ATOM 3048 H HG   . SER Axp A 196 ? 94.403  87.669  34.575 0 108.77  ? 311 A 1 c
ATOM 3049 N N    . PHE Axp A 197 ? 96.516  91.04   34.413 1 99.777  ? 312 A 1 .
ATOM 3050 C CA   . PHE Axp A 197 ? 96.06   91.992  33.422 1 88.852  ? 312 A 1 .
ATOM 3051 C C    . PHE Axp A 197 ? 94.987  91.318  32.584 1 100.134 ? 312 A 1 .
ATOM 3052 O O    . PHE Axp A 197 ? 95.13   90.175  32.169 1 87.025  ? 312 A 1 .
ATOM 3053 C CB   . PHE Axp A 197 ? 97.15   92.524  32.504 1 69.167  ? 312 A 1 .
ATOM 3054 C CG   . PHE Axp A 197 ? 98.099  93.471  33.213 1 79.316  ? 312 A 1 .
ATOM 3055 C CD1  . PHE Axp A 197 ? 97.664  94.726  33.643 1 83.332  ? 312 A 1 .
ATOM 3056 C CD2  . PHE Axp A 197 ? 99.438  93.135  33.413 1 97.461  ? 312 A 1 .
ATOM 3057 C CE1  . PHE Axp A 197 ? 98.533  95.617  34.289 1 84.375  ? 312 A 1 .
ATOM 3058 C CE2  . PHE Axp A 197 ? 100.314 94.039  34.029 1 107.261 ? 312 A 1 .
ATOM 3059 C CZ   . PHE Axp A 197 ? 99.86   95.283  34.468 1 91.533  ? 312 A 1 .
ATOM 3060 H H    . PHE Axp A 197 ? 97.309  90.606  34.28  1 100.799 ? 312 A 1 c
ATOM 3061 H HA   . PHE Axp A 197 ? 95.653  92.764  33.897 1 89.428  ? 312 A 1 c
ATOM 3062 H HB3  . PHE Axp A 197 ? 96.728  92.995  31.751 1 75.725  ? 312 A 1 c
ATOM 3063 H HB2  . PHE Axp A 197 ? 97.66   91.764  32.145 1 75.805  ? 312 A 1 c
ATOM 3064 H HD1  . PHE Axp A 197 ? 96.761  94.968  33.518 1 82.8    ? 312 A 1 c
ATOM 3065 H HD2  . PHE Axp A 197 ? 99.761  92.302  33.109 1 94.835  ? 312 A 1 c
ATOM 3066 H HE1  . PHE Axp A 197 ? 98.216  96.459  34.574 1 85.797  ? 312 A 1 c
ATOM 3067 H HE2  . PHE Axp A 197 ? 101.215 93.794  34.166 1 100.57  ? 312 A 1 c
ATOM 3068 H HZ   . PHE Axp A 197 ? 100.449 95.879  34.903 1 93.012  ? 312 A 1 c
ATOM 3069 N N    . ARG Axp A 198 ? 93.887  92.043  32.396 1 129.123 ? 313 A 1 .
ATOM 3070 C CA   . ARG Axp A 198 ? 92.833  91.623  31.499 1 141.534 ? 313 A 1 .
ATOM 3071 C C    . ARG Axp A 198 ? 92.881  92.573  30.308 1 141.038 ? 313 A 1 .
ATOM 3072 O O    . ARG Axp A 198 ? 92.874  93.8    30.443 1 137.484 ? 313 A 1 .
ATOM 3073 C CB   . ARG Axp A 198 ? 91.456  91.553  32.175 1 151.214 ? 313 A 1 .
ATOM 3074 C CG   . ARG Axp A 198 ? 91.336  90.66   33.406 1 163.581 ? 313 A 1 .
ATOM 3075 C CD   . ARG Axp A 198 ? 91.278  89.14   33.22  1 171.689 ? 313 A 1 .
ATOM 3076 N NE   . ARG Axp A 198 ? 90.934  88.459  34.48  1 155.472 ? 313 A 1 .
ATOM 3077 C CZ   . ARG Axp A 198 ? 90.979  87.148  34.717 1 129.942 ? 313 A 1 .
ATOM 3078 N NH1  . ARG Axp A 198 ? 91.362  86.301  33.788 1 156.761 ? 313 A 1 .
ATOM 3079 N NH2  . ARG Axp A 198 ? 90.648  86.667  35.89  1 113.435 ? 313 A 1 .
ATOM 3080 H H    . ARG Axp A 198 ? 93.787  92.832  32.847 1 123.317 ? 313 A 1 c
ATOM 3081 H HA   . ARG Axp A 198 ? 93.048  90.711  31.178 1 139.887 ? 313 A 1 c
ATOM 3082 H HB3  . ARG Axp A 198 ? 90.806  91.244  31.507 1 151.66  ? 313 A 1 c
ATOM 3083 H HB2  . ARG Axp A 198 ? 91.197  92.464  32.431 1 151.66  ? 313 A 1 c
ATOM 3084 H HG3  . ARG Axp A 198 ? 90.53   90.926  33.891 1 161.69  ? 313 A 1 c
ATOM 3085 H HG2  . ARG Axp A 198 ? 92.09   90.861  34     1 162.081 ? 313 A 1 c
ATOM 3086 H HD3  . ARG Axp A 198 ? 92.147  88.818  32.905 1 165.917 ? 313 A 1 c
ATOM 3087 H HD2  . ARG Axp A 198 ? 90.607  88.921  32.541 1 165.917 ? 313 A 1 c
ATOM 3088 H HE   . ARG Axp A 198 ? 90.674  88.96   35.144 1 152.26  ? 313 A 1 c
ATOM 3089 H HH11 . ARG Axp A 198 ? 90.92   86.259  33.024 1 147.954 ? 313 A 1 c
ATOM 3090 H HH12 . ARG Axp A 198 ? 92.059  85.778  33.932 1 147.954 ? 313 A 1 c
ATOM 3091 H HH21 . ARG Axp A 198 ? 90.93   87.069  36.625 1 118.339 ? 313 A 1 c
ATOM 3092 H HH22 . ARG Axp A 198 ? 90.144  85.942  35.941 1 118.527 ? 313 A 1 c
ATOM 3093 N N    . ALA Axp A 199 ? 92.96   91.962  29.129 1 139.36  ? 314 A 1 .
ATOM 3094 C CA   . ALA Axp A 199 ? 92.86   92.681  27.877 1 126.242 ? 314 A 1 .
ATOM 3095 C C    . ALA Axp A 199 ? 91.653  93.612  27.929 1 111.852 ? 314 A 1 .
ATOM 3096 O O    . ALA Axp A 199 ? 90.508  93.157  27.997 1 105.53  ? 314 A 1 .
ATOM 3097 C CB   . ALA Axp A 199 ? 92.75   91.673  26.765 1 131.378 ? 314 A 1 .
ATOM 3098 H H    . ALA Axp A 199 ? 93.085  91.057  29.103 1 136.628 ? 314 A 1 c
ATOM 3099 H HA   . ALA Axp A 199 ? 93.679  93.222  27.755 1 124.839 ? 314 A 1 c
ATOM 3100 H HB3  . ALA Axp A 199 ? 92.668  92.134  25.913 1 129.837 ? 314 A 1 c
ATOM 3101 H HB2  . ALA Axp A 199 ? 91.966  91.116  26.905 1 129.837 ? 314 A 1 c
ATOM 3102 H HB1  . ALA Axp A 199 ? 93.544  91.113  26.752 1 129.871 ? 314 A 1 c
ATOM 3103 N N    . GLY Axp A 200 ? 91.922  94.919  27.923 1 101.785 ? 315 A 1 .
ATOM 3104 C CA   . GLY Axp A 200 ? 90.86   95.906  28.049 1 99.567  ? 315 A 1 .
ATOM 3105 C C    . GLY Axp A 200 ? 91.163  96.869  29.189 1 94.032  ? 315 A 1 .
ATOM 3106 O O    . GLY Axp A 200 ? 90.526  97.917  29.373 1 76.25   ? 315 A 1 .
ATOM 3107 H H    . GLY Axp A 200 ? 92.782  95.205  27.805 1 103.732 ? 315 A 1 c
ATOM 3108 H HA3  . GLY Axp A 200 ? 90.002  95.451  28.218 1 98.932  ? 315 A 1 c
ATOM 3109 H HA2  . GLY Axp A 200 ? 90.78   96.407  27.203 1 98.843  ? 315 A 1 c
ATOM 3110 N N    . ASP Axp A 201 ? 92.168  96.478  29.967 1 92.546  ? 316 A 1 .
ATOM 3111 C CA   . ASP Axp A 201 ? 92.58   97.29   31.09  1 98.751  ? 316 A 1 .
ATOM 3112 C C    . ASP Axp A 201 ? 93.285  98.508  30.517 1 73.572  ? 316 A 1 .
ATOM 3113 O O    . ASP Axp A 201 ? 93.546  98.568  29.331 1 84.667  ? 316 A 1 .
ATOM 3114 C CB   . ASP Axp A 201 ? 93.363  96.477  32.115 1 108.632 ? 316 A 1 .
ATOM 3115 C CG   . ASP Axp A 201 ? 92.535  95.453  32.883 1 108.195 ? 316 A 1 .
ATOM 3116 O OD1  . ASP Axp A 201 ? 91.289  95.626  32.957 1 104.724 ? 316 A 1 .
ATOM 3117 O OD2  . ASP Axp A 201 ? 93.125  94.455  33.344 1 102.863 ? 316 A 1 .
ATOM 3118 H H    . ASP Axp A 201 ? 92.596  95.685  29.813 1 94.631  ? 316 A 1 c
ATOM 3119 H HA   . ASP Axp A 201 ? 91.768  97.604  31.549 1 94.002  ? 316 A 1 c
ATOM 3120 H HB3  . ASP Axp A 201 ? 93.77   97.088  32.764 1 105.74  ? 316 A 1 c
ATOM 3121 H HB2  . ASP Axp A 201 ? 94.086  96.003  31.655 1 106.036 ? 316 A 1 c
ATOM 3122 N N    . ILE Axp A 202 ? 93.617  99.438  31.395 1 73.831  ? 317 A 1 .
ATOM 3123 C CA   . ILE Axp A 202 ? 94.323  100.649 31.045 1 76.84   ? 317 A 1 .
ATOM 3124 C C    . ILE Axp A 202 ? 95.354  100.915 32.137 1 76.821  ? 317 A 1 .
ATOM 3125 O O    . ILE Axp A 202 ? 95.039  101.284 33.267 1 78.992  ? 317 A 1 .
ATOM 3126 C CB   . ILE Axp A 202 ? 93.362  101.849 30.9   1 76.654  ? 317 A 1 .
ATOM 3127 C CG1  . ILE Axp A 202 ? 92.43   101.7   29.689 1 66.661  ? 317 A 1 .
ATOM 3128 C CG2  . ILE Axp A 202 ? 94.122  103.194 30.895 1 69.067  ? 317 A 1 .
ATOM 3129 C CD1  . ILE Axp A 202 ? 91.328  100.67  29.851 1 64.807  ? 317 A 1 .
ATOM 3130 H H    . ILE Axp A 202 ? 93.381  99.315  32.269 1 74.972  ? 317 A 1 c
ATOM 3131 H HA   . ILE Axp A 202 ? 94.784  100.513 30.196 1 76.125  ? 317 A 1 c
ATOM 3132 H HB   . ILE Axp A 202 ? 92.792  101.85  31.694 1 73.217  ? 317 A 1 c
ATOM 3133 H HG12 . ILE Axp A 202 ? 92.97   101.457 28.91  1 68.488  ? 317 A 1 c
ATOM 3134 H HG13 . ILE Axp A 202 ? 92.018  102.568 29.504 1 68.409  ? 317 A 1 c
ATOM 3135 H HG21 . ILE Axp A 202 ? 93.564  103.881 30.496 1 71.299  ? 317 A 1 c
ATOM 3136 H HG22 . ILE Axp A 202 ? 94.941  103.105 30.378 1 71.255  ? 317 A 1 c
ATOM 3137 H HG23 . ILE Axp A 202 ? 94.342  103.449 31.807 1 71.286  ? 317 A 1 c
ATOM 3138 H HD11 . ILE Axp A 202 ? 91.365  100.256 30.733 1 65.601  ? 317 A 1 c
ATOM 3139 H HD12 . ILE Axp A 202 ? 91.428  99.987  29.163 1 65.613  ? 317 A 1 c
ATOM 3140 H HD13 . ILE Axp A 202 ? 90.464  101.112 29.741 1 65.45   ? 317 A 1 c
ATOM 3141 N N    . ILE Axp A 203 ? 96.604  100.823 31.744 1 68.242  ? 318 A 1 .
ATOM 3142 C CA   . ILE Axp A 203 ? 97.699  101.138 32.632 1 63.556  ? 318 A 1 .
ATOM 3143 C C    . ILE Axp A 203 ? 97.799  102.64  32.82  1 59.136  ? 318 A 1 .
ATOM 3144 O O    . ILE Axp A 203 ? 98.029  103.38  31.881 1 78.312  ? 318 A 1 .
ATOM 3145 C CB   . ILE Axp A 203 ? 98.984  100.53  32.053 1 60.745  ? 318 A 1 .
ATOM 3146 C CG1  . ILE Axp A 203 ? 98.878  99.006  32.103 1 69.397  ? 318 A 1 .
ATOM 3147 C CG2  . ILE Axp A 203 ? 100.241 101.061 32.737 1 55.845  ? 318 A 1 .
ATOM 3148 C CD1  . ILE Axp A 203 ? 99.664  98.294  31.018 1 81.01   ? 318 A 1 .
ATOM 3149 H H    . ILE Axp A 203 ? 96.79   100.554 30.891 1 69.065  ? 318 A 1 c
ATOM 3150 H HA   . ILE Axp A 203 ? 97.526  100.722 33.498 1 63.336  ? 318 A 1 c
ATOM 3151 H HB   . ILE Axp A 203 ? 99.032  100.788 31.111 1 61.96   ? 318 A 1 c
ATOM 3152 H HG12 . ILE Axp A 203 ? 97.936  98.75   32.025 1 69.71   ? 318 A 1 c
ATOM 3153 H HG13 . ILE Axp A 203 ? 99.198  98.698  32.975 1 69.673  ? 318 A 1 c
ATOM 3154 H HG21 . ILE Axp A 203 ? 100.948 100.397 32.68  1 57.397  ? 318 A 1 c
ATOM 3155 H HG22 . ILE Axp A 203 ? 100.05  101.248 33.671 1 57.624  ? 318 A 1 c
ATOM 3156 H HG23 . ILE Axp A 203 ? 100.531 101.878 32.298 1 57.354  ? 318 A 1 c
ATOM 3157 H HD11 . ILE Axp A 203 ? 99.149  98.291  30.189 1 77.461  ? 318 A 1 c
ATOM 3158 H HD12 . ILE Axp A 203 ? 99.841  97.375  31.292 1 77.406  ? 318 A 1 c
ATOM 3159 H HD13 . ILE Axp A 203 ? 100.51  98.757  30.871 1 77.406  ? 318 A 1 c
ATOM 3160 N N    . LEU Axp A 204 ? 97.694  103.061 34.07  1 71.246  ? 319 A 1 .
ATOM 3161 C CA   . LEU Axp A 204 ? 98.033  104.42  34.442 1 81.96   ? 319 A 1 .
ATOM 3162 C C    . LEU Axp A 204 ? 99.439  104.42  35.013 1 65.649  ? 319 A 1 .
ATOM 3163 O O    . LEU Axp A 204 ? 99.658  103.876 36.091 1 82.453  ? 319 A 1 .
ATOM 3164 C CB   . LEU Axp A 204 ? 97.037  104.976 35.455 1 87.898  ? 319 A 1 .
ATOM 3165 C CG   . LEU Axp A 204 ? 97.1    106.49  35.689 1 96.023  ? 319 A 1 .
ATOM 3166 C CD1  . LEU Axp A 204 ? 95.73   106.857 36.245 1 111.896 ? 319 A 1 .
ATOM 3167 C CD2  . LEU Axp A 204 ? 98.24   107.025 36.581 1 77.886  ? 319 A 1 .
ATOM 3168 H H    . LEU Axp A 204 ? 97.398  102.488 34.718 1 70.227  ? 319 A 1 c
ATOM 3169 H HA   . LEU Axp A 204 ? 98.015  104.983 33.63  1 77.271  ? 319 A 1 c
ATOM 3170 H HB3  . LEU Axp A 204 ? 97.184  104.522 36.317 1 88.128  ? 319 A 1 c
ATOM 3171 H HB2  . LEU Axp A 204 ? 96.131  104.745 35.148 1 88.469  ? 319 A 1 c
ATOM 3172 H HG   . LEU Axp A 204 ? 97.188  106.928 34.803 1 93.53   ? 319 A 1 c
ATOM 3173 H HD11 . LEU Axp A 204 ? 95.117  107.016 35.509 1 106.802 ? 319 A 1 c
ATOM 3174 H HD12 . LEU Axp A 204 ? 95.801  107.66  36.786 1 106.497 ? 319 A 1 c
ATOM 3175 H HD13 . LEU Axp A 204 ? 95.393  106.129 36.794 1 106.646 ? 319 A 1 c
ATOM 3176 H HD21 . LEU Axp A 204 ? 99.078  106.985 36.093 1 82.188  ? 319 A 1 c
ATOM 3177 H HD22 . LEU Axp A 204 ? 98.303  106.481 37.384 1 82.255  ? 319 A 1 c
ATOM 3178 H HD23 . LEU Axp A 204 ? 98.055  107.946 36.829 1 82.714  ? 319 A 1 c
ATOM 3179 N N    . GLY Axp A 205 ? 100.362 105.053 34.296 1 54.598  ? 320 A 1 .
ATOM 3180 C CA   . GLY Axp A 205 ? 101.748 105.109 34.749 1 59.665  ? 320 A 1 .
ATOM 3181 C C    . GLY Axp A 205 ? 102.312 106.53  34.671 1 52.871  ? 320 A 1 .
ATOM 3182 O O    . GLY Axp A 205 ? 101.576 107.477 34.309 1 42.721  ? 320 A 1 .
ATOM 3183 H H    . GLY Axp A 205 ? 100.134 105.46  33.51  1 58.493  ? 320 A 1 c
ATOM 3184 H HA3  . GLY Axp A 205 ? 102.293 104.508 34.189 1 56.953  ? 320 A 1 c
ATOM 3185 H HA2  . GLY Axp A 205 ? 101.802 104.788 35.678 1 57.297  ? 320 A 1 c
ATOM 3186 N N    . ILE Axp A 206 ? 103.601 106.691 35.023 1 45.279  ? 321 A 1 .
ATOM 3187 C CA   . ILE Axp A 206 ? 104.169 108.014 34.845 1 69.808  ? 321 A 1 .
ATOM 3188 C C    . ILE Axp A 206 ? 105.586 107.86  34.314 1 99.47   ? 321 A 1 .
ATOM 3189 O O    . ILE Axp A 206 ? 106.341 107.053 34.848 1 89.97   ? 321 A 1 .
ATOM 3190 C CB   . ILE Axp A 206 ? 104.169 108.946 36.083 1 76.2    ? 321 A 1 .
ATOM 3191 C CG1  . ILE Axp A 206 ? 105.595 109.165 36.627 1 83.457  ? 321 A 1 .
ATOM 3192 C CG2  . ILE Axp A 206 ? 103.195 108.555 37.193 1 75.744  ? 321 A 1 .
ATOM 3193 C CD1  . ILE Axp A 206 ? 105.877 110.606 37.018 1 80.208  ? 321 A 1 .
ATOM 3194 H H    . ILE Axp A 206 ? 104.104 106.007 35.361 1 52.062  ? 321 A 1 c
ATOM 3195 H HA   . ILE Axp A 206 ? 103.648 108.462 34.152 1 69.955  ? 321 A 1 c
ATOM 3196 H HB   . ILE Axp A 206 ? 103.87  109.819 35.758 1 76.191  ? 321 A 1 c
ATOM 3197 H HG12 . ILE Axp A 206 ? 106.247 108.899 35.951 1 81.384  ? 321 A 1 c
ATOM 3198 H HG13 . ILE Axp A 206 ? 105.726 108.594 37.411 1 81.029  ? 321 A 1 c
ATOM 3199 H HG21 . ILE Axp A 206 ? 103.141 109.272 37.847 1 75.835  ? 321 A 1 c
ATOM 3200 H HG22 . ILE Axp A 206 ? 103.508 107.745 37.628 1 75.767  ? 321 A 1 c
ATOM 3201 H HG23 . ILE Axp A 206 ? 102.315 108.4   36.812 1 75.767  ? 321 A 1 c
ATOM 3202 H HD11 . ILE Axp A 206 ? 105.866 111.169 36.221 1 81.715  ? 321 A 1 c
ATOM 3203 H HD12 . ILE Axp A 206 ? 106.752 110.665 37.445 1 81.345  ? 321 A 1 c
ATOM 3204 H HD13 . ILE Axp A 206 ? 105.191 110.913 37.64  1 81.596  ? 321 A 1 c
ATOM 3205 N N    . GLY Axp A 207 ? 105.916 108.676 33.289 1 138.151 ? 322 A 1 .
ATOM 3206 C CA   . GLY Axp A 207 ? 107.28  108.823 32.805 1 151.183 ? 322 A 1 .
ATOM 3207 C C    . GLY Axp A 207 ? 107.42  109.727 31.576 1 144.593 ? 322 A 1 .
ATOM 3208 O O    . GLY Axp A 207 ? 106.598 110.607 31.334 1 119.418 ? 322 A 1 .
ATOM 3209 H H    . GLY Axp A 207 ? 105.256 109.158 32.879 1 129.045 ? 322 A 1 c
ATOM 3210 H HA3  . GLY Axp A 207 ? 107.629 107.93  32.589 1 145.899 ? 322 A 1 c
ATOM 3211 H HA2  . GLY Axp A 207 ? 107.834 109.187 33.536 1 146.335 ? 322 A 1 c
ATOM 3212 N N    . LYS Axp A 208 ? 108.512 109.47  30.832 1 154.855 ? 323 A 1 .
ATOM 3213 C CA   . LYS Axp A 208 ? 108.901 110.146 29.602 1 126.864 ? 323 A 1 .
ATOM 3214 C C    . LYS Axp A 208 ? 108.494 109.322 28.374 1 132.11  ? 323 A 1 .
ATOM 3215 O O    . LYS Axp A 208 ? 108.209 108.12  28.484 1 95.376  ? 323 A 1 .
ATOM 3216 C CB   . LYS Axp A 208 ? 110.425 110.26  29.563 1 111.039 ? 323 A 1 .
ATOM 3217 C CG   . LYS Axp A 208 ? 111.057 111.215 30.532 1 119.375 ? 323 A 1 .
ATOM 3218 C CD   . LYS Axp A 208 ? 110.646 112.671 30.34  1 140.025 ? 323 A 1 .
ATOM 3219 C CE   . LYS Axp A 208 ? 111.566 113.577 31.105 1 154.211 ? 323 A 1 .
ATOM 3220 N NZ   . LYS Axp A 208 ? 111.095 114.955 31.262 1 163.052 ? 323 A 1 .
ATOM 3221 H H    . LYS Axp A 208 ? 109.063 108.805 31.13  1 144.949 ? 323 A 1 c
ATOM 3222 H HA   . LYS Axp A 208 ? 108.473 111.038 29.569 1 129.409 ? 323 A 1 c
ATOM 3223 H HB3  . LYS Axp A 208 ? 110.696 110.525 28.66  1 116.201 ? 323 A 1 c
ATOM 3224 H HB2  . LYS Axp A 208 ? 110.801 109.369 29.729 1 116.532 ? 323 A 1 c
ATOM 3225 H HG3  . LYS Axp A 208 ? 112.032 111.146 30.442 1 121.889 ? 323 A 1 c
ATOM 3226 H HG2  . LYS Axp A 208 ? 110.822 110.933 31.442 1 121.855 ? 323 A 1 c
ATOM 3227 H HD3  . LYS Axp A 208 ? 109.725 112.796 30.656 1 138.496 ? 323 A 1 c
ATOM 3228 H HD2  . LYS Axp A 208 ? 110.684 112.897 29.385 1 138.253 ? 323 A 1 c
ATOM 3229 H HE3  . LYS Axp A 208 ? 112.426 113.599 30.647 1 152.843 ? 323 A 1 c
ATOM 3230 H HE2  . LYS Axp A 208 ? 111.721 113.202 31.99  1 152.602 ? 323 A 1 c
ATOM 3231 H HZ1  . LYS Axp A 208 ? 110.973 115.138 32.14  1 159.846 ? 323 A 1 c
ATOM 3232 H HZ2  . LYS Axp A 208 ? 110.323 115.042 30.826 1 159.005 ? 323 A 1 c
ATOM 3233 H HZ3  . LYS Axp A 208 ? 111.709 115.529 30.925 1 159.712 ? 323 A 1 c
ATOM 3234 N N    . PRO Axp A 209 ? 108.489 109.93  27.152 1 119.45  ? 324 A 1 .
ATOM 3235 C CA   . PRO Axp A 209 ? 107.781 109.343 26.011 1 104.121 ? 324 A 1 .
ATOM 3236 C C    . PRO Axp A 209 ? 108.469 108.131 25.381 1 98.984  ? 324 A 1 .
ATOM 3237 O O    . PRO Axp A 209 ? 107.781 107.269 24.82  1 75.164  ? 324 A 1 .
ATOM 3238 C CB   . PRO Axp A 209 ? 107.579 110.521 25.063 1 100.086 ? 324 A 1 .
ATOM 3239 C CG   . PRO Axp A 209 ? 108.162 111.749 25.781 1 103.652 ? 324 A 1 .
ATOM 3240 C CD   . PRO Axp A 209 ? 109.094 111.236 26.825 1 95.67   ? 324 A 1 .
ATOM 3241 H HA   . PRO Axp A 209 ? 106.895 109.06  26.317 1 105.12  ? 324 A 1 c
ATOM 3242 H HB3  . PRO Axp A 209 ? 106.63  110.651 24.874 1 101.775 ? 324 A 1 c
ATOM 3243 H HB2  . PRO Axp A 209 ? 108.042 110.366 24.217 1 101.761 ? 324 A 1 c
ATOM 3244 H HG3  . PRO Axp A 209 ? 107.448 112.276 26.193 1 100.957 ? 324 A 1 c
ATOM 3245 H HG2  . PRO Axp A 209 ? 108.643 112.32  25.149 1 100.957 ? 324 A 1 c
ATOM 3246 H HD3  . PRO Axp A 209 ? 109.996 111.128 26.478 1 102.597 ? 324 A 1 c
ATOM 3247 H HD2  . PRO Axp A 209 ? 109.111 111.823 27.604 1 102.969 ? 324 A 1 c
ATOM 3248 N N    . GLU Axp A 210 ? 109.812 108.07  25.477 1 92.708  ? 325 A 1 .
ATOM 3249 C CA   . GLU Axp A 210 ? 110.545 106.847 25.177 1 110.115 ? 325 A 1 .
ATOM 3250 C C    . GLU Axp A 210 ? 109.931 105.704 26.004 1 127.857 ? 325 A 1 .
ATOM 3251 O O    . GLU Axp A 210 ? 109.356 104.727 25.457 1 78.078  ? 325 A 1 .
ATOM 3252 C CB   . GLU Axp A 210 ? 112.042 106.978 25.507 1 117.467 ? 325 A 1 .
ATOM 3253 C CG   . GLU Axp A 210 ? 112.809 108.025 24.699 1 117.038 ? 325 A 1 .
ATOM 3254 C CD   . GLU Axp A 210 ? 112.842 109.418 25.327 1 126.185 ? 325 A 1 .
ATOM 3255 O OE1  . GLU Axp A 210 ? 111.792 109.767 25.892 1 84.347  ? 325 A 1 .
ATOM 3256 O OE2  . GLU Axp A 210 ? 113.851 110.177 25.242 1 111.739 ? 325 A 1 .
ATOM 3257 H H    . GLU Axp A 210 ? 110.278 108.812 25.735 1 98.412  ? 325 A 1 c
ATOM 3258 H HA   . GLU Axp A 210 ? 110.436 106.642 24.213 1 110.671 ? 325 A 1 c
ATOM 3259 H HB3  . GLU Axp A 210 ? 112.469 106.107 25.362 1 115.731 ? 325 A 1 c
ATOM 3260 H HB2  . GLU Axp A 210 ? 112.14  107.2   26.455 1 115.701 ? 325 A 1 c
ATOM 3261 H HG3  . GLU Axp A 210 ? 112.405 108.097 23.808 1 119.166 ? 325 A 1 c
ATOM 3262 H HG2  . GLU Axp A 210 ? 113.733 107.718 24.578 1 119.166 ? 325 A 1 c
ATOM 3263 N N    . GLU Axp A 211 ? 110.085 105.888 27.34  1 133.859 ? 326 A 1 .
ATOM 3264 C CA   . GLU Axp A 211 ? 109.549 105.038 28.394 1 100.907 ? 326 A 1 .
ATOM 3265 C C    . GLU Axp A 211 ? 108.142 104.593 27.971 1 93.096  ? 326 A 1 .
ATOM 3266 O O    . GLU Axp A 211 ? 107.772 103.407 28     1 65.665  ? 326 A 1 .
ATOM 3267 C CB   . GLU Axp A 211 ? 109.559 105.797 29.734 1 95.152  ? 326 A 1 .
ATOM 3268 C CG   . GLU Axp A 211 ? 110.93  106.175 30.316 1 122.054 ? 326 A 1 .
ATOM 3269 C CD   . GLU Axp A 211 ? 111     106.817 31.73  1 121.538 ? 326 A 1 .
ATOM 3270 O OE1  . GLU Axp A 211 ? 110.001 107.481 32.041 1 133.647 ? 326 A 1 .
ATOM 3271 O OE2  . GLU Axp A 211 ? 111.966 106.699 32.559 1 80.086  ? 326 A 1 .
ATOM 3272 H H    . GLU Axp A 211 ? 110.554 106.626 27.604 1 123.349 ? 326 A 1 c
ATOM 3273 H HA   . GLU Axp A 211 ? 110.126 104.236 28.472 1 104.035 ? 326 A 1 c
ATOM 3274 H HB3  . GLU Axp A 211 ? 109.101 105.245 30.401 1 102.099 ? 326 A 1 c
ATOM 3275 H HB2  . GLU Axp A 211 ? 109.042 106.618 29.631 1 102.043 ? 326 A 1 c
ATOM 3276 H HG3  . GLU Axp A 211 ? 111.365 106.793 29.692 1 115.238 ? 326 A 1 c
ATOM 3277 H HG2  . GLU Axp A 211 ? 111.486 105.367 30.332 1 115.188 ? 326 A 1 c
ATOM 3278 N N    . ILE Axp A 212 ? 107.335 105.57  27.533 1 83.964  ? 327 A 1 .
ATOM 3279 C CA   . ILE Axp A 212 ? 105.939 105.265 27.273 1 98.642  ? 327 A 1 .
ATOM 3280 C C    . ILE Axp A 212 ? 105.846 104.411 26.008 1 104.237 ? 327 A 1 .
ATOM 3281 O O    . ILE Axp A 212 ? 105.139 103.384 25.97  1 67.196  ? 327 A 1 .
ATOM 3282 C CB   . ILE Axp A 212 ? 105.049 106.527 27.263 1 95.804  ? 327 A 1 .
ATOM 3283 C CG1  . ILE Axp A 212 ? 105.2   107.354 28.599 1 103.162 ? 327 A 1 .
ATOM 3284 C CG2  . ILE Axp A 212 ? 103.6   106.084 27.047 1 83.753  ? 327 A 1 .
ATOM 3285 C CD1  . ILE Axp A 212 ? 104.918 108.844 28.542 1 82.311  ? 327 A 1 .
ATOM 3286 H H    . ILE Axp A 212 ? 107.644 106.421 27.413 1 89.896  ? 327 A 1 c
ATOM 3287 H HA   . ILE Axp A 212 ? 105.626 104.71  28.014 1 95.796  ? 327 A 1 c
ATOM 3288 H HB   . ILE Axp A 212 ? 105.32  107.094 26.513 1 95.187  ? 327 A 1 c
ATOM 3289 H HG12 . ILE Axp A 212 ? 106.11  107.232 28.933 1 96.149  ? 327 A 1 c
ATOM 3290 H HG13 . ILE Axp A 212 ? 104.599 106.96  29.262 1 96.163  ? 327 A 1 c
ATOM 3291 H HG21 . ILE Axp A 212 ? 103.009 106.848 27.146 1 87.553  ? 327 A 1 c
ATOM 3292 H HG22 . ILE Axp A 212 ? 103.364 105.407 27.704 1 87.436  ? 327 A 1 c
ATOM 3293 H HG23 . ILE Axp A 212 ? 103.5   105.715 26.154 1 87.582  ? 327 A 1 c
ATOM 3294 H HD11 . ILE Axp A 212 ? 105.71  109.32  28.232 1 88.302  ? 327 A 1 c
ATOM 3295 H HD12 . ILE Axp A 212 ? 104.677 109.164 29.432 1 88.114  ? 327 A 1 c
ATOM 3296 H HD13 . ILE Axp A 212 ? 104.178 109.012 27.927 1 88.082  ? 327 A 1 c
ATOM 3297 N N    . GLU Axp A 213 ? 106.612 104.826 24.994 1 119.868 ? 328 A 1 .
ATOM 3298 C CA   . GLU Axp A 213 ? 106.64  104.092 23.743 1 135.662 ? 328 A 1 .
ATOM 3299 C C    . GLU Axp A 213 ? 106.923 102.627 24.06  1 121.189 ? 328 A 1 .
ATOM 3300 O O    . GLU Axp A 213 ? 106.11  101.732 23.765 1 104.252 ? 328 A 1 .
ATOM 3301 C CB   . GLU Axp A 213 ? 107.711 104.638 22.798 1 144.126 ? 328 A 1 .
ATOM 3302 C CG   . GLU Axp A 213 ? 107.183 104.954 21.402 1 153.372 ? 328 A 1 .
ATOM 3303 C CD   . GLU Axp A 213 ? 105.962 104.164 20.953 1 146.773 ? 328 A 1 .
ATOM 3304 O OE1  . GLU Axp A 213 ? 106.028 102.905 20.95  1 103.452 ? 328 A 1 .
ATOM 3305 O OE2  . GLU Axp A 213 ? 104.946 104.828 20.621 1 155.007 ? 328 A 1 .
ATOM 3306 H H    . GLU Axp A 213 ? 107.115 105.584 25.079 1 119.003 ? 328 A 1 c
ATOM 3307 H HA   . GLU Axp A 213 ? 105.747 104.162 23.325 1 131.173 ? 328 A 1 c
ATOM 3308 H HB3  . GLU Axp A 213 ? 108.433 103.981 22.715 1 143.226 ? 328 A 1 c
ATOM 3309 H HB2  . GLU Axp A 213 ? 108.094 105.453 23.181 1 142.626 ? 328 A 1 c
ATOM 3310 H HG3  . GLU Axp A 213 ? 107.903 104.79  20.759 1 149.701 ? 328 A 1 c
ATOM 3311 H HG2  . GLU Axp A 213 ? 106.965 105.909 21.356 1 149.734 ? 328 A 1 c
ATOM 3312 N N    . ARG Axp A 214 ? 108.089 102.437 24.699 1 104.1   ? 329 A 1 .
ATOM 3313 C CA   . ARG Axp A 214 ? 108.57  101.119 25.086 1 103.503 ? 329 A 1 .
ATOM 3314 C C    . ARG Axp A 214 ? 107.379 100.312 25.626 1 102.317 ? 329 A 1 .
ATOM 3315 O O    . ARG Axp A 214 ? 107.116 99.153  25.23  1 60.878  ? 329 A 1 .
ATOM 3316 C CB   . ARG Axp A 214 ? 109.745 101.301 26.062 1 90.938  ? 329 A 1 .
ATOM 3317 C CG   . ARG Axp A 214 ? 111     102.022 25.576 1 95.748  ? 329 A 1 .
ATOM 3318 C CD   . ARG Axp A 214 ? 112.129 102.141 26.617 1 93.159  ? 329 A 1 .
ATOM 3319 N NE   . ARG Axp A 214 ? 112.93  103.374 26.524 1 95.221  ? 329 A 1 .
ATOM 3320 C CZ   . ARG Axp A 214 ? 113.6   103.994 27.518 1 111.169 ? 329 A 1 .
ATOM 3321 N NH1  . ARG Axp A 214 ? 113.566 103.492 28.743 1 135.91  ? 329 A 1 .
ATOM 3322 N NH2  . ARG Axp A 214 ? 114.279 105.128 27.312 1 104.176 ? 329 A 1 .
ATOM 3323 H H    . ARG Axp A 214 ? 108.6   103.165 24.91  1 108.137 ? 329 A 1 c
ATOM 3324 H HA   . ARG Axp A 214 ? 108.909 100.666 24.273 1 100.996 ? 329 A 1 c
ATOM 3325 H HB3  . ARG Axp A 214 ? 110.012 100.411 26.375 1 94.939  ? 329 A 1 c
ATOM 3326 H HB2  . ARG Axp A 214 ? 109.406 101.79  26.84  1 94.824  ? 329 A 1 c
ATOM 3327 H HG3  . ARG Axp A 214 ? 110.755 102.922 25.278 1 94.022  ? 329 A 1 c
ATOM 3328 H HG2  . ARG Axp A 214 ? 111.349 101.546 24.791 1 94.039  ? 329 A 1 c
ATOM 3329 H HD3  . ARG Axp A 214 ? 112.723 101.369 26.517 1 94.379  ? 329 A 1 c
ATOM 3330 H HD2  . ARG Axp A 214 ? 111.729 102.088 27.508 1 94.39   ? 329 A 1 c
ATOM 3331 H HE   . ARG Axp A 214 ? 112.98  103.749 25.74  1 98.32   ? 329 A 1 c
ATOM 3332 H HH11 . ARG Axp A 214 ? 113.634 102.621 28.872 1 127.028 ? 329 A 1 c
ATOM 3333 H HH12 . ARG Axp A 214 ? 113.474 104.036 29.433 1 127.579 ? 329 A 1 c
ATOM 3334 H HH21 . ARG Axp A 214 ? 114.693 105.257 26.541 1 106.28  ? 329 A 1 c
ATOM 3335 H HH22 . ARG Axp A 214 ? 114.312 105.742 27.946 1 106.28  ? 329 A 1 c
ATOM 3336 N N    . LEU Axp A 215 ? 106.633 100.986 26.513 1 105.574 ? 330 A 1 .
ATOM 3337 C CA   . LEU Axp A 215 ? 105.469 100.395 27.142 1 116.714 ? 330 A 1 .
ATOM 3338 C C    . LEU Axp A 215 ? 104.51  99.927  26.051 1 117.381 ? 330 A 1 .
ATOM 3339 O O    . LEU Axp A 215 ? 104.182 98.741  25.966 1 95.542  ? 330 A 1 .
ATOM 3340 C CB   . LEU Axp A 215 ? 104.828 101.428 28.065 1 123.442 ? 330 A 1 .
ATOM 3341 C CG   . LEU Axp A 215 ? 104.491 100.972 29.488 1 135.731 ? 330 A 1 .
ATOM 3342 C CD1  . LEU Axp A 215 ? 103.6   102.052 30.078 1 146.77  ? 330 A 1 .
ATOM 3343 C CD2  . LEU Axp A 215 ? 103.838 99.597  29.631 1 122.758 ? 330 A 1 .
ATOM 3344 H H    . LEU Axp A 215 ? 106.875 101.836 26.746 1 107.461 ? 330 A 1 c
ATOM 3345 H HA   . LEU Axp A 215 ? 105.763 99.612  27.672 1 115.829 ? 330 A 1 c
ATOM 3346 H HB3  . LEU Axp A 215 ? 103.999 101.747 27.64  1 124.042 ? 330 A 1 c
ATOM 3347 H HB2  . LEU Axp A 215 ? 105.433 102.202 28.131 1 123.283 ? 330 A 1 c
ATOM 3348 H HG   . LEU Axp A 215 ? 105.334 100.96  30.011 1 132.574 ? 330 A 1 c
ATOM 3349 H HD11 . LEU Axp A 215 ? 104.029 102.918 29.979 1 142.622 ? 330 A 1 c
ATOM 3350 H HD12 . LEU Axp A 215 ? 103.45  101.87  31.021 1 142.713 ? 330 A 1 c
ATOM 3351 H HD13 . LEU Axp A 215 ? 102.747 102.059 29.612 1 142.891 ? 330 A 1 c
ATOM 3352 H HD21 . LEU Axp A 215 ? 104.332 99.07   30.282 1 126.092 ? 330 A 1 c
ATOM 3353 H HD22 . LEU Axp A 215 ? 103.846 99.139  28.776 1 125.98  ? 330 A 1 c
ATOM 3354 H HD23 . LEU Axp A 215 ? 102.92  99.701  29.933 1 126.375 ? 330 A 1 c
ATOM 3355 N N    . LYS Axp A 216 ? 104.126 100.874 25.183 1 121.578 ? 331 A 1 .
ATOM 3356 C CA   . LYS Axp A 216 ? 103.104 100.649 24.169 1 125.297 ? 331 A 1 .
ATOM 3357 C C    . LYS Axp A 216 ? 103.411 99.39   23.363 1 113.638 ? 331 A 1 .
ATOM 3358 O O    . LYS Axp A 216 ? 102.506 98.584  23.102 1 74.325  ? 331 A 1 .
ATOM 3359 C CB   . LYS Axp A 216 ? 103.003 101.881 23.263 1 130.025 ? 331 A 1 .
ATOM 3360 C CG   . LYS Axp A 216 ? 102.514 103.16  23.96  1 130.842 ? 331 A 1 .
ATOM 3361 C CD   . LYS Axp A 216 ? 102.341 104.362 23.029 1 142.07  ? 331 A 1 .
ATOM 3362 C CE   . LYS Axp A 216 ? 101.172 105.279 23.345 1 137.668 ? 331 A 1 .
ATOM 3363 N NZ   . LYS Axp A 216 ? 101.499 106.513 24.066 1 131.153 ? 331 A 1 .
ATOM 3364 H H    . LYS Axp A 216 ? 104.52  101.697 25.229 1 121.449 ? 331 A 1 c
ATOM 3365 H HA   . LYS Axp A 216 ? 102.235 100.523 24.629 1 123.18  ? 331 A 1 c
ATOM 3366 H HB3  . LYS Axp A 216 ? 102.388 101.677 22.527 1 129.054 ? 331 A 1 c
ATOM 3367 H HB2  . LYS Axp A 216 ? 103.884 102.059 22.871 1 128.939 ? 331 A 1 c
ATOM 3368 H HG3  . LYS Axp A 216 ? 103.154 103.396 24.664 1 132.413 ? 331 A 1 c
ATOM 3369 H HG2  . LYS Axp A 216 ? 101.655 102.966 24.393 1 133.034 ? 331 A 1 c
ATOM 3370 H HD3  . LYS Axp A 216 ? 102.237 104.029 22.111 1 138.314 ? 331 A 1 c
ATOM 3371 H HD2  . LYS Axp A 216 ? 103.168 104.89  23.051 1 138.372 ? 331 A 1 c
ATOM 3372 H HE3  . LYS Axp A 216 ? 100.517 104.785 23.87  1 136.996 ? 331 A 1 c
ATOM 3373 H HE2  . LYS Axp A 216 ? 100.741 105.523 22.507 1 137.054 ? 331 A 1 c
ATOM 3374 H HZ1  . LYS Axp A 216 ? 102.265 106.87  23.74  1 133.068 ? 331 A 1 c
ATOM 3375 H HZ2  . LYS Axp A 216 ? 101.604 106.334 24.947 1 132.732 ? 331 A 1 c
ATOM 3376 H HZ3  . LYS Axp A 216 ? 100.827 107.112 23.964 1 133.039 ? 331 A 1 c
ATOM 3377 N N    . ASN Axp A 217 ? 104.705 99.252  23.02  1 121.476 ? 332 A 1 .
ATOM 3378 C CA   . ASN Axp A 217 ? 105.208 98.188  22.166 1 114.759 ? 332 A 1 .
ATOM 3379 C C    . ASN Axp A 217 ? 105.155 96.863  22.905 1 116.816 ? 332 A 1 .
ATOM 3380 O O    . ASN Axp A 217 ? 104.829 95.826  22.321 1 109.927 ? 332 A 1 .
ATOM 3381 C CB   . ASN Axp A 217 ? 106.658 98.435  21.779 1 116.24  ? 332 A 1 .
ATOM 3382 C CG   . ASN Axp A 217 ? 106.831 99.689  20.958 1 121.283 ? 332 A 1 .
ATOM 3383 O OD1  . ASN Axp A 217 ? 106.445 99.712  19.783 1 154.985 ? 332 A 1 .
ATOM 3384 N ND2  . ASN Axp A 217 ? 107.447 100.717 21.525 1 93.307  ? 332 A 1 .
ATOM 3385 H H    . ASN Axp A 217 ? 105.305 99.865  23.336 1 118.106 ? 332 A 1 c
ATOM 3386 H HA   . ASN Axp A 217 ? 104.667 98.142  21.346 1 116.746 ? 332 A 1 c
ATOM 3387 H HB3  . ASN Axp A 217 ? 106.987 97.67   21.265 1 116.907 ? 332 A 1 c
ATOM 3388 H HB2  . ASN Axp A 217 ? 107.198 98.507  22.591 1 116.367 ? 332 A 1 c
ATOM 3389 H HD21 . ASN Axp A 217 ? 107.146 101.54  21.391 1 101.503 ? 332 A 1 c
ATOM 3390 H HD22 . ASN Axp A 217 ? 108.161 100.581 22.033 1 101.356 ? 332 A 1 c
ATOM 3391 N N    . TYR Axp A 218 ? 105.517 96.939  24.193 1 113.141 ? 333 A 1 .
ATOM 3392 C CA   . TYR Axp A 218 ? 105.663 95.771  25.045 1 122.43  ? 333 A 1 .
ATOM 3393 C C    . TYR Axp A 218 ? 104.299 95.09   25.159 1 135.032 ? 333 A 1 .
ATOM 3394 O O    . TYR Axp A 218 ? 104.18  93.862  25.05  1 100.801 ? 333 A 1 .
ATOM 3395 C CB   . TYR Axp A 218 ? 106.366 96.284  26.317 1 101.586 ? 333 A 1 .
ATOM 3396 C CG   . TYR Axp A 218 ? 106.566 95.279  27.447 1 113.231 ? 333 A 1 .
ATOM 3397 C CD1  . TYR Axp A 218 ? 106.186 93.947  27.314 1 125.26  ? 333 A 1 .
ATOM 3398 C CD2  . TYR Axp A 218 ? 107.134 95.659  28.657 1 120.314 ? 333 A 1 .
ATOM 3399 C CE1  . TYR Axp A 218 ? 106.333 93.034  28.343 1 123.637 ? 333 A 1 .
ATOM 3400 C CE2  . TYR Axp A 218 ? 107.287 94.751  29.697 1 130.656 ? 333 A 1 .
ATOM 3401 C CZ   . TYR Axp A 218 ? 106.887 93.437  29.538 1 125.343 ? 333 A 1 .
ATOM 3402 O OH   . TYR Axp A 218 ? 107.019 92.5    30.512 1 126.662 ? 333 A 1 .
ATOM 3403 H H    . TYR Axp A 218 ? 105.689 97.762  24.553 1 115.921 ? 333 A 1 c
ATOM 3404 H HA   . TYR Axp A 218 ? 106.282 95.14   24.59  1 118.614 ? 333 A 1 c
ATOM 3405 H HB3  . TYR Axp A 218 ? 105.849 97.041  26.668 1 108.568 ? 333 A 1 c
ATOM 3406 H HB2  . TYR Axp A 218 ? 107.247 96.635  26.056 1 108.293 ? 333 A 1 c
ATOM 3407 H HD1  . TYR Axp A 218 ? 105.8   93.656  26.508 1 121.817 ? 333 A 1 c
ATOM 3408 H HD2  . TYR Axp A 218 ? 107.395 96.558  28.785 1 120.911 ? 333 A 1 c
ATOM 3409 H HE1  . TYR Axp A 218 ? 106.065 92.139  28.225 1 124.315 ? 333 A 1 c
ATOM 3410 H HE2  . TYR Axp A 218 ? 107.666 95.03   30.513 1 126.755 ? 333 A 1 c
ATOM 3411 H HH   . TYR Axp A 218 ? 106.992 91.466  30.298 0 101.73  ? 333 A 1 c
ATOM 3412 N N    . ILE Axp A 219 ? 103.27  95.928  25.329 1 145.265 ? 334 A 1 .
ATOM 3413 C CA   . ILE Axp A 219 ? 101.917 95.468  25.569 1 129.438 ? 334 A 1 .
ATOM 3414 C C    . ILE Axp A 219 ? 101.155 95.42   24.263 1 137.481 ? 334 A 1 .
ATOM 3415 O O    . ILE Axp A 219 ? 99.942  95.585  24.293 1 143.598 ? 334 A 1 .
ATOM 3416 C CB   . ILE Axp A 219 ? 101.145 96.431  26.473 1 120.15  ? 334 A 1 .
ATOM 3417 C CG1  . ILE Axp A 219 ? 102.048 97.298  27.347 1 114.328 ? 334 A 1 .
ATOM 3418 C CG2  . ILE Axp A 219 ? 100.114 95.639  27.267 1 125.036 ? 334 A 1 .
ATOM 3419 C CD1  . ILE Axp A 219 ? 101.49  98.68   27.6   1 109.054 ? 334 A 1 .
ATOM 3420 H H    . ILE Axp A 219 ? 103.417 96.826  25.249 1 138.158 ? 334 A 1 c
ATOM 3421 H HA   . ILE Axp A 219 ? 101.938 94.579  25.972 1 131.768 ? 334 A 1 c
ATOM 3422 H HB   . ILE Axp A 219 ? 100.651 97.04   25.89  1 121.673 ? 334 A 1 c
ATOM 3423 H HG12 . ILE Axp A 219 ? 102.923 97.383  26.926 1 114.737 ? 334 A 1 c
ATOM 3424 H HG13 . ILE Axp A 219 ? 102.174 96.852  28.207 1 114.746 ? 334 A 1 c
ATOM 3425 H HG21 . ILE Axp A 219 ? 100.003 96.04   28.145 1 123.119 ? 334 A 1 c
ATOM 3426 H HG22 . ILE Axp A 219 ? 100.412 94.722  27.369 1 123.176 ? 334 A 1 c
ATOM 3427 H HG23 . ILE Axp A 219 ? 99.263  95.651  26.798 1 123.303 ? 334 A 1 c
ATOM 3428 H HD11 . ILE Axp A 219 ? 100.641 98.789  27.13  1 110.486 ? 334 A 1 c
ATOM 3429 H HD12 . ILE Axp A 219 ? 102.117 99.358  27.289 1 110.63  ? 334 A 1 c
ATOM 3430 H HD13 . ILE Axp A 219 ? 101.342 98.793  28.558 1 110.731 ? 334 A 1 c
ATOM 3431 N N    . SER Axp A 220 ? 101.858 95.294  23.137 1 142.764 ? 335 A 1 .
ATOM 3432 C CA   . SER Axp A 220 ? 101.184 95.204  21.86  1 124.237 ? 335 A 1 .
ATOM 3433 C C    . SER Axp A 220 ? 100.743 93.768  21.649 1 136.573 ? 335 A 1 .
ATOM 3434 O O    . SER Axp A 220 ? 101.356 92.859  22.195 1 122.975 ? 335 A 1 .
ATOM 3435 C CB   . SER Axp A 220 ? 102.055 95.673  20.777 1 117.329 ? 335 A 1 .
ATOM 3436 O OG   . SER Axp A 220 ? 102.369 97.032  21.025 1 129.165 ? 335 A 1 .
ATOM 3437 H H    . SER Axp A 220 ? 102.77  95.255  23.161 1 136.85  ? 335 A 1 c
ATOM 3438 H HA   . SER Axp A 220 ? 100.378 95.781  21.887 1 128.725 ? 335 A 1 c
ATOM 3439 H HB3  . SER Axp A 220 ? 101.594 95.589  19.921 1 121.616 ? 335 A 1 c
ATOM 3440 H HB2  . SER Axp A 220 ? 102.871 95.14   20.753 1 121.562 ? 335 A 1 c
ATOM 3441 H HG   . SER Axp A 220 ? 102.875 97.365  20.471 0 105.74  ? 335 A 1 c
ATOM 3442 N N    . ALA Axp A 221 ? 99.638  93.597  20.918 1 162.79  ? 336 A 1 .
ATOM 3443 C CA   . ALA Axp A 221 ? 99.239  92.293  20.428 1 158.131 ? 336 A 1 .
ATOM 3444 C C    . ALA Axp A 221 ? 100.45  91.643  19.747 1 160.891 ? 336 A 1 .
ATOM 3445 O O    . ALA Axp A 221 ? 100.693 90.442  20.023 1 117.782 ? 336 A 1 .
ATOM 3446 C CB   . ALA Axp A 221 ? 98.059  92.448  19.492 1 159.717 ? 336 A 1 .
ATOM 3447 O OXT  . ALA Axp A 221 ? 101.142 92.378  18.986 1 173     ? 336 A 1 .
ATOM 3448 H H    . ALA Axp A 221 ? 99.115  94.321  20.72  1 154.647 ? 336 A 1 c
ATOM 3449 H HA   . ALA Axp A 221 ? 98.974  91.729  21.202 1 159.269 ? 336 A 1 c
ATOM 3450 H HB3  . ALA Axp A 221 ? 97.794  91.577  19.153 1 159.245 ? 336 A 1 c
ATOM 3451 H HB2  . ALA Axp A 221 ? 98.307  93.021  18.746 1 159.245 ? 336 A 1 c
ATOM 3452 H HB1  . ALA Axp A 221 ? 97.313  92.848  19.97  1 159.245 ? 336 A 1 c




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_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_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_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_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_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_TRP
_chem_comp.id                     TRP
_chem_comp.group                  peptide

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

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
TRP N   CA  single n 1.486 0.01   1.486 0.01
TRP CA  C   single n 1.532 0.0129 1.532 0.0129
TRP CA  CB  single n 1.535 0.01   1.535 0.01
TRP C   O   double n 1.251 0.0183 1.251 0.0183
TRP C   OXT single n 1.251 0.0183 1.251 0.0183
TRP CB  CG  single n 1.506 0.01   1.506 0.01
TRP CG  CD1 double y 1.364 0.01   1.364 0.01
TRP CG  CD2 single y 1.445 0.01   1.445 0.01
TRP CD1 NE1 single y 1.369 0.01   1.369 0.01
TRP CD2 CE2 double y 1.412 0.01   1.412 0.01
TRP CD2 CE3 single y 1.399 0.01   1.399 0.01
TRP NE1 CE2 single y 1.37  0.01   1.37  0.01
TRP CE2 CZ2 single y 1.393 0.01   1.393 0.01
TRP CE3 CZ3 double y 1.377 0.01   1.377 0.01
TRP CZ2 CH2 double y 1.376 0.0101 1.376 0.0101
TRP CZ3 CH2 single y 1.394 0.012  1.394 0.012
TRP N   H   single n 0.902 0.0102 1.018 0.052
TRP N   H2  single n 0.902 0.0102 1.018 0.052
TRP N   H3  single n 0.902 0.0102 1.018 0.052
TRP CA  HA  single n 0.995 0.02   1.092 0.01
TRP CB  HB3 single n 0.981 0.01   1.092 0.01
TRP CB  HB2 single n 0.981 0.01   1.092 0.01
TRP CD1 HD1 single n 0.944 0.0195 1.085 0.015
TRP NE1 HE1 single n 0.873 0.02   1.013 0.012
TRP CE3 HE3 single n 0.942 0.0199 1.085 0.015
TRP CZ2 HZ2 single n 0.942 0.0181 1.085 0.015
TRP CZ3 HZ3 single n 0.943 0.0167 1.085 0.015
TRP CH2 HH2 single n 0.941 0.0176 1.085 0.015

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
TRP CA  N   H   109.786 3
TRP CA  N   H2  109.786 3
TRP CA  N   H3  109.786 3
TRP H   N   H2  109.032 3
TRP H   N   H3  109.032 3
TRP H2  N   H3  109.032 3
TRP N   CA  C   109.79  1.5
TRP N   CA  CB  110.346 1.5
TRP N   CA  HA  108.404 1.5
TRP C   CA  CB  111.156 1.5
TRP C   CA  HA  108.682 1.5
TRP CB  CA  HA  108.429 1.5
TRP CA  C   O   117.155 2.01
TRP CA  C   OXT 117.155 2.01
TRP O   C   OXT 125.691 1.5
TRP CA  CB  CG  113.87  1.5
TRP CA  CB  HB3 108.522 1.5
TRP CA  CB  HB2 108.522 1.5
TRP CG  CB  HB3 108.877 1.5
TRP CG  CB  HB2 108.877 1.5
TRP HB3 CB  HB2 107.959 3
TRP CB  CG  CD1 126.94  2.13
TRP CB  CG  CD2 126.837 1.66
TRP CD1 CG  CD2 106.223 1.5
TRP CG  CD1 NE1 110.303 1.5
TRP CG  CD1 HD1 125.325 2.99
TRP NE1 CD1 HD1 124.372 1.81
TRP CG  CD2 CE2 106.978 1.5
TRP CG  CD2 CE3 134.327 1.5
TRP CE2 CD2 CE3 118.695 1.5
TRP CD1 NE1 CE2 109.057 1.5
TRP CD1 NE1 HE1 125.366 3
TRP CE2 NE1 HE1 125.577 3
TRP CD2 CE2 NE1 107.438 1.5
TRP CD2 CE2 CZ2 122.273 1.5
TRP NE1 CE2 CZ2 130.289 1.5
TRP CD2 CE3 CZ3 118.811 1.5
TRP CD2 CE3 HE3 120.479 1.5
TRP CZ3 CE3 HE3 120.709 1.5
TRP CE2 CZ2 CH2 117.418 1.5
TRP CE2 CZ2 HZ2 121.196 1.5
TRP CH2 CZ2 HZ2 121.386 1.5
TRP CE3 CZ3 CH2 121.228 1.5
TRP CE3 CZ3 HZ3 119.424 1.5
TRP CH2 CZ3 HZ3 119.348 1.5
TRP CZ2 CH2 CZ3 121.574 1.5
TRP CZ2 CH2 HH2 119.154 1.5
TRP CZ3 CH2 HH2 119.272 1.5

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
TRP chi1      N   CA  CB  CG  -60 10 3
TRP chi2      CA  CB  CG  CD1 90  10 6
TRP CONST_1   CB  CG  CD1 NE1 0   0  1
TRP CONST_2   CG  CD1 NE1 CE2 0   0  1
TRP CONST_3   NE1 CE2 CD2 CE3 0   0  1
TRP CONST_4   CE2 CD2 CE3 CZ3 0   0  1
TRP CONST_5   CD1 NE1 CE2 CD2 0   0  1
TRP CONST_6   CD2 CE3 CZ3 CH2 0   0  1
TRP CONST_7   CZ3 CH2 CZ2 CE2 0   0  1
TRP CONST_8   CE3 CZ3 CH2 CZ2 0   0  1
TRP sp3_sp3_1 C   CA  N   H   180 10 3
TRP const_33  CE2 CD2 CG  CD1 0   0  1
TRP const_17  CD2 CE2 CZ2 CH2 0   0  1
TRP sp2_sp3_1 O   C   CA  N   0   10 6

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

loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
TRP plan-1 CD2 0.02
TRP plan-1 CE2 0.02
TRP plan-1 CE3 0.02
TRP plan-1 CG  0.02
TRP plan-1 CH2 0.02
TRP plan-1 CZ2 0.02
TRP plan-1 CZ3 0.02
TRP plan-1 HE3 0.02
TRP plan-1 HH2 0.02
TRP plan-1 HZ2 0.02
TRP plan-1 HZ3 0.02
TRP plan-1 NE1 0.02
TRP plan-2 CB  0.02
TRP plan-2 CD1 0.02
TRP plan-2 CD2 0.02
TRP plan-2 CE2 0.02
TRP plan-2 CE3 0.02
TRP plan-2 CG  0.02
TRP plan-2 CZ2 0.02
TRP plan-2 HD1 0.02
TRP plan-2 HE1 0.02
TRP plan-2 NE1 0.02
TRP plan-3 C   0.02
TRP plan-3 CA  0.02
TRP plan-3 O   0.02
TRP plan-3 OXT 0.02

data_SER
_chem_comp.id                     SER
_chem_comp.group                  peptide

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

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
SER N  CA  single n 1.487 0.01   1.487 0.01
SER CA C   single n 1.536 0.01   1.536 0.01
SER CA CB  single n 1.508 0.019  1.508 0.019
SER C  O   double n 1.251 0.0183 1.251 0.0183
SER C  OXT single n 1.251 0.0183 1.251 0.0183
SER CB OG  single n 1.421 0.0108 1.421 0.0108
SER N  H   single n 0.902 0.0102 1.018 0.052
SER N  H2  single n 0.902 0.0102 1.018 0.052
SER N  H3  single n 0.902 0.0102 1.018 0.052
SER CA HA  single n 0.991 0.02   1.092 0.01
SER CB HB3 single n 0.976 0.018  1.092 0.01
SER CB HB2 single n 0.976 0.018  1.092 0.01
SER OG HG  single n 0.846 0.02   0.972 0.018

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
SER CA  N  H   109.696 3
SER CA  N  H2  109.696 3
SER CA  N  H3  109.696 3
SER H   N  H2  109.032 3
SER H   N  H3  109.032 3
SER H2  N  H3  109.032 3
SER N   CA C   109.839 1.5
SER N   CA CB  111.152 1.5
SER N   CA HA  108.129 1.5
SER C   CA CB  111.3   1.5
SER C   CA HA  108.235 1.5
SER CB  CA HA  108.445 1.5
SER CA  C  O   117.199 1.5
SER CA  C  OXT 117.189 1.5
SER O   C  OXT 125.593 1.5
SER CA  CB OG  110.934 1.86
SER CA  CB HB3 109.238 1.5
SER CA  CB HB2 109.238 1.5
SER OG  CB HB3 109.353 1.5
SER OG  CB HB2 109.353 1.5
SER HB3 CB HB2 108.095 1.88
SER CB  OG HG  108.539 3

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
SER chi1      N  CA CB OG -60 10 3
SER hh1       CA CB OG HG 180 10 3
SER sp3_sp3_1 C  CA N  H  180 10 3
SER sp2_sp3_1 O  C  CA N  0   10 6

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

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

data_GLU
_chem_comp.id                     GLU
_chem_comp.group                  peptide

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

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
GLU N  CA  single n 1.487 0.01   1.487 0.01
GLU CA C   single n 1.538 0.0113 1.538 0.0113
GLU CA CB  single n 1.529 0.01   1.529 0.01
GLU C  O   double n 1.251 0.0183 1.251 0.0183
GLU C  OXT single n 1.251 0.0183 1.251 0.0183
GLU CB CG  single n 1.526 0.01   1.526 0.01
GLU CG CD  single n 1.518 0.0135 1.518 0.0135
GLU CD OE1 double n 1.249 0.0161 1.249 0.0161
GLU CD OE2 single n 1.249 0.0161 1.249 0.0161
GLU N  H   single n 0.902 0.0102 1.018 0.052
GLU N  H2  single n 0.902 0.0102 1.018 0.052
GLU N  H3  single n 0.902 0.0102 1.018 0.052
GLU CA HA  single n 0.991 0.02   1.092 0.01
GLU CB HB3 single n 0.98  0.0168 1.092 0.01
GLU CB HB2 single n 0.98  0.0168 1.092 0.01
GLU CG HG3 single n 0.981 0.0172 1.092 0.01
GLU CG HG2 single n 0.981 0.0172 1.092 0.01

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
GLU CA  N  H   109.99  3
GLU CA  N  H2  109.99  3
GLU CA  N  H3  109.99  3
GLU H   N  H2  109.032 3
GLU H   N  H3  109.032 3
GLU H2  N  H3  109.032 3
GLU N   CA C   109.258 1.5
GLU N   CA CB  110.44  2.46
GLU N   CA HA  108.387 1.58
GLU C   CA CB  111.059 3
GLU C   CA HA  108.774 1.79
GLU CB  CA HA  109.08  2.33
GLU CA  C  O   117.148 1.6
GLU CA  C  OXT 117.148 1.6
GLU O   C  OXT 125.704 1.5
GLU CA  CB CG  113.294 1.61
GLU CA  CB HB3 108.677 1.74
GLU CA  CB HB2 108.677 1.74
GLU CG  CB HB3 108.696 2.8
GLU CG  CB HB2 108.696 2.8
GLU HB3 CB HB2 107.655 1.5
GLU CB  CG CD  114.14  3
GLU CB  CG HG3 108.968 1.5
GLU CB  CG HG2 108.968 1.5
GLU CD  CG HG3 108.472 1.5
GLU CD  CG HG2 108.472 1.5
GLU HG3 CG HG2 107.541 1.92
GLU CG  CD OE1 118.251 3
GLU CG  CD OE2 118.251 3
GLU OE1 CD OE2 123.498 1.82

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
GLU chi1      N  CA CB CG  -60 10 3
GLU chi2      CA CB CG CD  180 10 3
GLU chi3      CB CG CD OE1 180 10 6
GLU sp3_sp3_1 C  CA N  H   180 10 3
GLU sp2_sp3_1 O  C  CA N   0   10 6

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

loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
GLU plan-1 C   0.02
GLU plan-1 CA  0.02
GLU plan-1 O   0.02
GLU plan-1 OXT 0.02
GLU plan-2 CD  0.02
GLU plan-2 CG  0.02
GLU plan-2 OE1 0.02
GLU plan-2 OE2 0.02

data_THR
_chem_comp.id                     THR
_chem_comp.group                  peptide

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

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
THR N   CA   single n 1.48  0.0122 1.48  0.0122
THR CA  C    single n 1.515 0.0129 1.515 0.0129
THR CA  CB   single n 1.528 0.01   1.528 0.01
THR C   O    double n 1.251 0.0183 1.251 0.0183
THR C   OXT  single n 1.251 0.0183 1.251 0.0183
THR CB  OG1  single n 1.424 0.01   1.424 0.01
THR CB  CG2  single n 1.518 0.01   1.518 0.01
THR N   H    single n 0.902 0.0102 1.018 0.052
THR N   H2   single n 0.902 0.0102 1.018 0.052
THR N   H3   single n 0.902 0.0102 1.018 0.052
THR CA  HA   single n 0.982 0.02   1.092 0.01
THR CB  HB   single n 0.987 0.01   1.092 0.01
THR OG1 HG1  single n 0.864 0.02   0.972 0.018
THR CG2 HG21 single n 0.972 0.0156 1.092 0.01
THR CG2 HG22 single n 0.972 0.0156 1.092 0.01
THR CG2 HG23 single n 0.972 0.0156 1.092 0.01

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
THR CA   N   H    109.577 1.5
THR CA   N   H2   109.577 1.5
THR CA   N   H3   109.577 1.5
THR H    N   H2   109.032 3
THR H    N   H3   109.032 3
THR H2   N   H3   109.032 3
THR N    CA  C    109.121 1.5
THR N    CA  CB   109.645 1.84
THR N    CA  HA   108.639 1.5
THR C    CA  CB   111.778 1.58
THR C    CA  HA   109.055 1.5
THR CB   CA  HA   108.87  1.5
THR CA   C   O    117.098 1.5
THR CA   C   OXT  117.098 1.5
THR O    C   OXT  125.804 1.5
THR CA   CB  OG1  105.245 3
THR CA   CB  CG2  112.544 1.5
THR CA   CB  HB   109.595 2.39
THR OG1  CB  CG2  109.974 3
THR OG1  CB  HB   109.323 1.86
THR CG2  CB  HB   109.17  2.61
THR CB   OG1 HG1  109.544 3
THR CB   CG2 HG21 109.532 1.5
THR CB   CG2 HG22 109.532 1.5
THR CB   CG2 HG23 109.532 1.5
THR HG21 CG2 HG22 109.425 1.5
THR HG21 CG2 HG23 109.425 1.5
THR HG22 CG2 HG23 109.425 1.5

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
THR chi1      N  CA CB  CG2  -60 10 3
THR hh1       CA CB OG1 HG1  -60 10 3
THR hh2       CA CB CG2 HG23 -60 10 3
THR sp3_sp3_1 C  CA N   H    180 10 3
THR sp2_sp3_1 O  C  CA  N    0   10 6

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

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

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

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

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

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

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

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

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

data_GLN
_chem_comp.id                     GLN
_chem_comp.group                  peptide

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

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
GLN N   CA   single n 1.487 0.01   1.487 0.01
GLN CA  C    single n 1.538 0.0113 1.538 0.0113
GLN CA  CB   single n 1.529 0.01   1.529 0.01
GLN C   O    double n 1.251 0.0183 1.251 0.0183
GLN C   OXT  single n 1.251 0.0183 1.251 0.0183
GLN CB  CG   single n 1.525 0.01   1.525 0.01
GLN CG  CD   single n 1.513 0.01   1.513 0.01
GLN CD  OE1  double n 1.236 0.01   1.236 0.01
GLN CD  NE2  single n 1.325 0.01   1.325 0.01
GLN N   H    single n 0.902 0.0102 1.018 0.052
GLN N   H2   single n 0.902 0.0102 1.018 0.052
GLN N   H3   single n 0.902 0.0102 1.018 0.052
GLN CA  HA   single n 0.991 0.02   1.092 0.01
GLN CB  HB3  single n 0.98  0.0168 1.092 0.01
GLN CB  HB2  single n 0.98  0.0168 1.092 0.01
GLN CG  HG3  single n 0.981 0.0172 1.092 0.01
GLN CG  HG2  single n 0.981 0.0172 1.092 0.01
GLN NE2 HE21 single n 0.887 0.02   1.013 0.012
GLN NE2 HE22 single n 0.887 0.02   1.013 0.012

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
GLN CA   N   H    109.99  3
GLN CA   N   H2   109.99  3
GLN CA   N   H3   109.99  3
GLN H    N   H2   109.032 3
GLN H    N   H3   109.032 3
GLN H2   N   H3   109.032 3
GLN N    CA  C    109.258 1.5
GLN N    CA  CB   110.44  2.46
GLN N    CA  HA   108.387 1.58
GLN C    CA  CB   111.059 3
GLN C    CA  HA   108.774 1.79
GLN CB   CA  HA   109.08  2.33
GLN CA   C   O    117.148 1.6
GLN CA   C   OXT  117.148 1.6
GLN O    C   OXT  125.704 1.5
GLN CA   CB  CG   113.998 1.5
GLN CA   CB  HB3  108.677 1.74
GLN CA   CB  HB2  108.677 1.74
GLN CG   CB  HB3  108.907 1.5
GLN CG   CB  HB2  108.907 1.5
GLN HB3  CB  HB2  107.655 1.5
GLN CB   CG  CD   113.265 1.5
GLN CB   CG  HG3  109.355 1.5
GLN CB   CG  HG2  109.355 1.5
GLN CD   CG  HG3  108.958 1.89
GLN CD   CG  HG2  108.958 1.89
GLN HG3  CG  HG2  107.827 1.56
GLN CG   CD  OE1  121.487 1.5
GLN CG   CD  NE2  116.074 1.76
GLN OE1  CD  NE2  122.439 1.5
GLN CD   NE2 HE21 119.917 2.87
GLN CD   NE2 HE22 119.917 2.87
GLN HE21 NE2 HE22 120.165 3

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
GLN chi1      N  CA CB  CG   -60 10 3
GLN chi2      CA CB CG  CD   180 10 3
GLN chi3      CB CG CD  NE2  180 10 6
GLN hh1       CG CD NE2 HE22 180 5  2
GLN sp3_sp3_1 C  CA N   H    180 10 3
GLN sp2_sp3_1 O  C  CA  N    0   10 6

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

loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
GLN plan-1 C    0.02
GLN plan-1 CA   0.02
GLN plan-1 O    0.02
GLN plan-1 OXT  0.02
GLN plan-2 CD   0.02
GLN plan-2 CG   0.02
GLN plan-2 NE2  0.02
GLN plan-2 OE1  0.02
GLN plan-3 CD   0.02
GLN plan-3 HE21 0.02
GLN plan-3 HE22 0.02
GLN plan-3 NE2  0.02

data_MET
_chem_comp.id                     MET
_chem_comp.group                  peptide

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

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

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

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

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

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

data_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_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
