data_4iy2
_entry.id                         4iy2

_cell.entry_id                    4iy2
_cell.length_a                    102.513
_cell.length_b                    104.593
_cell.length_c                    105.694
_cell.angle_alpha                 90
_cell.angle_beta                  90
_cell.angle_gamma                 90

_symmetry.entry_id                4iy2
_symmetry.space_group_name_H-M    "I 21 21 21"
_symmetry.Int_Tables_number       24

loop_
_entity.id
_entity.type
A polymer
C polymer

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

loop_
_software.pdbx_ordinal
_software.classification
_software.name
_software.version
_software.date
_software.description
1 refinement refmac '5.8.0430 (refmacat 0.4.77)' 2024-05-20 '(un)restrained refinement or idealisation of macromolecular structures'

_refine.details                   "Hydrogens have been added in their riding positions"
_refine.B_iso_mean                117.964
_refine.aniso_B[1][1]             -4.543
_refine.aniso_B[2][2]             1.548
_refine.aniso_B[3][3]             2.995
_refine.aniso_B[1][2]             0.000
_refine.aniso_B[1][3]             -0.000
_refine.aniso_B[2][3]             0.000
_refine.solvent_model_details     "MASK BULK SOLVENT"
_refine.pdbx_solvent_vdw_probe_radii 1.200
_refine.pdbx_solvent_ion_probe_radii 0.800
_refine.pdbx_solvent_shrinkage_radii 0.800
_refine.ls_d_res_high             3.602
_refine.ls_d_res_low              42.850
_refine.ls_number_reflns_R_work   6354
_refine.ls_number_reflns_R_free   316
_refine.ls_number_reflns_obs      6670
_refine.ls_R_factor_R_work        0.2060
_refine.ls_R_factor_R_free        0.2535
_refine.ls_R_factor_all           0.208
_refine.ls_wR_factor_R_work       0.209
_refine.ls_wR_factor_R_free       0.260
_refine.ls_percent_reflns_obs     97.358
_refine.ls_percent_reflns_R_free  4.738
_refine.correlation_coeff_Fo_to_Fc 0.908
_refine.correlation_coeff_Fo_to_Fc_free 0.913
_refine.pdbx_overall_ESU_R        ?
_refine.pdbx_overall_ESU_R_Free   0.580
_refine.overall_SU_ML             0.458
_refine.overall_SU_B              30.406
_refine.pdbx_average_fsc_overall  ?
_refine.pdbx_average_fsc_work     0.9709
_refine.pdbx_average_fsc_free     0.9468
_refine.entry_id                  4iy2
_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 42.850 15.127 106 100.0000 104 0.547 0.557 2  27.354 0.663 0.781 0.030 "X-RAY DIFFRACTION"
20 15.127 11.046 165 99.3939  160 0.190 0.188 4  0.097  0.234 0.976 0.986 "X-RAY DIFFRACTION"
20 11.046 9.121  191 100.0000 182 0.163 0.166 9  0.208  0.209 0.982 0.984 "X-RAY DIFFRACTION"
20 9.121  7.944  232 100.0000 223 0.221 0.222 9  0.250  0.247 0.969 0.957 "X-RAY DIFFRACTION"
20 7.944  7.130  253 100.0000 241 0.243 0.242 12 0.224  0.273 0.959 0.965 "X-RAY DIFFRACTION"
20 7.130  6.523  270 98.5185  254 0.241 0.248 12 0.399  0.248 0.962 0.922 "X-RAY DIFFRACTION"
20 6.523  6.050  297 100.0000 280 0.200 0.204 17 0.280  0.196 0.972 0.934 "X-RAY DIFFRACTION"
20 6.050  5.666  310 99.6774  300 0.198 0.196 9  0.134  0.196 0.974 0.984 "X-RAY DIFFRACTION"
20 5.666  5.347  337 99.7033  319 0.190 0.199 17 0.372  0.184 0.974 0.913 "X-RAY DIFFRACTION"
20 5.347  5.077  355 99.7183  333 0.155 0.160 21 0.242  0.159 0.983 0.962 "X-RAY DIFFRACTION"
20 5.077  4.843  371 98.9218  348 0.166 0.168 19 0.201  0.171 0.983 0.977 "X-RAY DIFFRACTION"
20 4.843  4.640  388 99.7423  372 0.153 0.156 15 0.227  0.149 0.984 0.976 "X-RAY DIFFRACTION"
20 4.640  4.460  392 99.4898  368 0.169 0.174 22 0.258  0.163 0.981 0.964 "X-RAY DIFFRACTION"
20 4.460  4.299  408 100.0000 395 0.148 0.149 13 0.199  0.135 0.985 0.974 "X-RAY DIFFRACTION"
20 4.299  4.155  436 99.3119  409 0.155 0.158 24 0.201  0.145 0.985 0.977 "X-RAY DIFFRACTION"
20 4.155  4.024  448 100.0000 431 0.183 0.185 17 0.248  0.157 0.976 0.942 "X-RAY DIFFRACTION"
20 4.024  3.905  446 99.3274  415 0.169 0.174 28 0.239  0.144 0.979 0.958 "X-RAY DIFFRACTION"
20 3.905  3.796  467 99.3576  439 0.190 0.197 25 0.318  0.159 0.973 0.919 "X-RAY DIFFRACTION"
20 3.796  3.695  484 99.1736  449 0.253 0.256 31 0.304  0.214 0.951 0.938 "X-RAY DIFFRACTION"
20 3.695  3.602  485 70.5155  332 0.300 0.301 10 0.320  0.272 0.955 0.922 "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               2480  0.008  0.012   "X-RAY DIFFRACTION"
r_bond_other_d                 2370  0.001  0.016   "X-RAY DIFFRACTION"
r_angle_refined_deg            3354  1.738  1.836   "X-RAY DIFFRACTION"
r_angle_other_deg              5490  0.550  1.752   "X-RAY DIFFRACTION"
r_dihedral_angle_1_deg         302   6.596  5.000   "X-RAY DIFFRACTION"
r_dihedral_angle_2_deg         10    10.149 5.000   "X-RAY DIFFRACTION"
r_dihedral_angle_3_deg         424   16.167 10.000  "X-RAY DIFFRACTION"
r_dihedral_angle_6_deg         120   14.444 10.000  "X-RAY DIFFRACTION"
r_chiral_restr                 390   0.072  0.200   "X-RAY DIFFRACTION"
r_gen_planes_refined           2816  0.005  0.020   "X-RAY DIFFRACTION"
r_gen_planes_other             512   0.001  0.020   "X-RAY DIFFRACTION"
r_nbd_refined                  602   0.213  0.200   "X-RAY DIFFRACTION"
r_symmetry_nbd_other           2404  0.208  0.200   "X-RAY DIFFRACTION"
r_nbtor_refined                1271  0.181  0.200   "X-RAY DIFFRACTION"
r_symmetry_nbtor_other         1407  0.087  0.200   "X-RAY DIFFRACTION"
r_xyhbond_nbd_refined          62    0.189  0.200   "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_other   1     0.021  0.200   "X-RAY DIFFRACTION"
r_symmetry_nbd_refined         8     0.268  0.200   "X-RAY DIFFRACTION"
r_nbd_other                    10    0.202  0.200   "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_refined 4     0.262  0.200   "X-RAY DIFFRACTION"
r_mcbond_it                    1214  14.147 11.183  "X-RAY DIFFRACTION"
r_mcbond_other                 1214  14.089 11.185  "X-RAY DIFFRACTION"
r_mcangle_it                   1514  21.075 20.028  "X-RAY DIFFRACTION"
r_mcangle_other                1515  21.069 20.041  "X-RAY DIFFRACTION"
r_scbond_it                    1266  16.872 12.490  "X-RAY DIFFRACTION"
r_scbond_other                 1265  16.743 12.494  "X-RAY DIFFRACTION"
r_scangle_it                   1840  24.503 22.422  "X-RAY DIFFRACTION"
r_scangle_other                1841  24.496 22.427  "X-RAY DIFFRACTION"
r_lrange_it                    10158 29.655 135.453 "X-RAY DIFFRACTION"
r_lrange_other                 10159 29.669 135.453 "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
SE 34 34 17.0064 2.4098  5.8216 0.2726  3.9744 15.2372 4.3558 43.8163 -6.8014
H  1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030
S  16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.0496

_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    . MSE Axp A 1   ? 22.975 7.087   77.199  1   125.215 ? 429 A 1 .
ATOM 2    C  CA   . MSE Axp A 1   ? 21.734 7.898   77.277  1   117.996 ? 429 A 1 .
ATOM 3    C  C    . MSE Axp A 1   ? 21.264 8.046   78.736  1   115.963 ? 429 A 1 .
ATOM 4    O  O    . MSE Axp A 1   ? 21.399 7.145   79.589  1   73.747  ? 429 A 1 .
ATOM 5    C  CB   . MSE Axp A 1   ? 20.646 7.249   76.412  1   118.848 ? 429 A 1 .
ATOM 6    C  CG   . MSE Axp A 1   ? 20.76  7.472   74.929  1   136.691 ? 429 A 1 .
ATOM 7    SE SE   . MSE Axp A 1   ? 19.153 6.88    73.931  1   218.852 ? 429 A 1 .
ATOM 8    C  CE   . MSE Axp A 1   ? 19.505 4.957   73.497  1   124.617 ? 429 A 1 .
ATOM 9    H  H    . MSE Axp A 1   ? 23.233 6.993   76.33   1   122.984 ? 429 A 1 c
ATOM 10   H  H2   . MSE Axp A 1   ? 22.831 6.261   77.555  1   122.954 ? 429 A 1 c
ATOM 11   H  H3   . MSE Axp A 1   ? 23.644 7.496   77.662  1   122.956 ? 429 A 1 c
ATOM 12   H  HA   . MSE Axp A 1   ? 21.932 8.794   76.919  1   119.324 ? 429 A 1 c
ATOM 13   H  HB2  . MSE Axp A 1   ? 19.804 7.585   76.693  1   122.924 ? 429 A 1 c
ATOM 14   H  HB3  . MSE Axp A 1   ? 20.65  6.312   76.572  1   122.62  ? 429 A 1 c
ATOM 15   H  HG2  . MSE Axp A 1   ? 21.54  6.985   74.59   1   143.223 ? 429 A 1 c
ATOM 16   H  HG3  . MSE Axp A 1   ? 20.905 8.427   74.757  1   143.223 ? 429 A 1 c
ATOM 17   H  HE1  . MSE Axp A 1   ? 19.185 4.765   72.601  1   141.477 ? 429 A 1 c
ATOM 18   H  HE2  . MSE Axp A 1   ? 19.04  4.393   74.135  1   141.324 ? 429 A 1 c
ATOM 19   H  HE3  . MSE Axp A 1   ? 20.458 4.785   73.545  1   141.323 ? 429 A 1 c
ATOM 20   N  N    . GLU Axp A 2   ? 20.683 9.226   79.007  1   133.79  ? 430 A 1 .
ATOM 21   C  CA   . GLU Axp A 2   ? 20.01  9.498   80.267  1   162.953 ? 430 A 1 .
ATOM 22   C  C    . GLU Axp A 2   ? 18.895 8.482   80.474  1   151.67  ? 430 A 1 .
ATOM 23   O  O    . GLU Axp A 2   ? 18.666 8.003   81.591  1   137.804 ? 430 A 1 .
ATOM 24   C  CB   . GLU Axp A 2   ? 19.298 10.855  80.278  1   166.491 ? 430 A 1 .
ATOM 25   C  CG   . GLU Axp A 2   ? 20.233 12.045  80.417  1   170.32  ? 430 A 1 .
ATOM 26   C  CD   . GLU Axp A 2   ? 20.936 12.119  81.758  1   179.666 ? 430 A 1 .
ATOM 27   O  OE1  . GLU Axp A 2   ? 20.862 11.199  82.609  1   171.589 ? 430 A 1 .
ATOM 28   O  OE2  . GLU Axp A 2   ? 21.566 13.172  81.952  1   198.325 ? 430 A 1 .
ATOM 29   H  H    . GLU Axp A 2   ? 20.711 9.888   78.378  1   135.127 ? 430 A 1 c
ATOM 30   H  HA   . GLU Axp A 2   ? 20.664 9.426   81.005  1   155.519 ? 430 A 1 c
ATOM 31   H  HB3  . GLU Axp A 2   ? 18.66  10.872  81.023  1   166.425 ? 430 A 1 c
ATOM 32   H  HB2  . GLU Axp A 2   ? 18.788 10.95   79.447  1   166.366 ? 430 A 1 c
ATOM 33   H  HG3  . GLU Axp A 2   ? 19.722 12.872  80.285  1   171.547 ? 430 A 1 c
ATOM 34   H  HG2  . GLU Axp A 2   ? 20.912 11.997  79.712  1   171.612 ? 430 A 1 c
ATOM 35   N  N    . GLU Axp A 3   ? 18.141 8.288   79.387  1   136.568 ? 431 A 1 .
ATOM 36   C  CA   . GLU Axp A 3   ? 16.955 7.453   79.378  1   124.85  ? 431 A 1 .
ATOM 37   C  C    . GLU Axp A 3   ? 17.358 6.064   79.837  1   112.288 ? 431 A 1 .
ATOM 38   O  O    . GLU Axp A 3   ? 16.635 5.43    80.594  1   114.231 ? 431 A 1 .
ATOM 39   C  CB   . GLU Axp A 3   ? 16.234 7.428   78.029  1   121.777 ? 431 A 1 .
ATOM 40   C  CG   . GLU Axp A 3   ? 17.068 7.954   76.862  1   152.827 ? 431 A 1 .
ATOM 41   C  CD   . GLU Axp A 3   ? 17.203 9.473   76.728  1   169.554 ? 431 A 1 .
ATOM 42   O  OE1  . GLU Axp A 3   ? 16.163 10.159  76.69   1   183.199 ? 431 A 1 .
ATOM 43   O  OE2  . GLU Axp A 3   ? 18.336 9.99    76.626  1   184.316 ? 431 A 1 .
ATOM 44   H  H    . GLU Axp A 3   ? 18.382 8.712   78.617  1   137.81  ? 431 A 1 c
ATOM 45   H  HA   . GLU Axp A 3   ? 16.322 7.822   80.045  1   123.878 ? 431 A 1 c
ATOM 46   H  HB3  . GLU Axp A 3   ? 15.42  7.968   78.1    1   129.205 ? 431 A 1 c
ATOM 47   H  HB2  . GLU Axp A 3   ? 15.964 6.507   77.832  1   128.93  ? 431 A 1 c
ATOM 48   H  HG3  . GLU Axp A 3   ? 16.676 7.614   76.029  1   148.492 ? 431 A 1 c
ATOM 49   H  HG2  . GLU Axp A 3   ? 17.964 7.569   76.922  1   148.177 ? 431 A 1 c
ATOM 50   N  N    . LEU Axp A 4   ? 18.534 5.619   79.408  1   96.571  ? 432 A 1 .
ATOM 51   C  CA   . LEU Axp A 4   ? 18.97  4.276   79.744  1   94.749  ? 432 A 1 .
ATOM 52   C  C    . LEU Axp A 4   ? 19.34  4.194   81.216  1   92.938  ? 432 A 1 .
ATOM 53   O  O    . LEU Axp A 4   ? 19.035 3.205   81.883  1   81.295  ? 432 A 1 .
ATOM 54   C  CB   . LEU Axp A 4   ? 20.138 3.9     78.85   1   99.732  ? 432 A 1 .
ATOM 55   C  CG   . LEU Axp A 4   ? 19.748 3.552   77.412  1   105.7   ? 432 A 1 .
ATOM 56   C  CD1  . LEU Axp A 4   ? 21.003 3.542   76.54   1   119.592 ? 432 A 1 .
ATOM 57   C  CD2  . LEU Axp A 4   ? 18.986 2.22    77.351  1   92.212  ? 432 A 1 .
ATOM 58   H  H    . LEU Axp A 4   ? 19.066 6.146   78.885  1   100.373 ? 432 A 1 c
ATOM 59   H  HA   . LEU Axp A 4   ? 18.219 3.653   79.574  1   95.813  ? 432 A 1 c
ATOM 60   H  HB3  . LEU Axp A 4   ? 20.596 3.124   79.247  1   99.817  ? 432 A 1 c
ATOM 61   H  HB2  . LEU Axp A 4   ? 20.771 4.654   78.832  1   99.91   ? 432 A 1 c
ATOM 62   H  HG   . LEU Axp A 4   ? 19.147 4.265   77.075  1   104.335 ? 432 A 1 c
ATOM 63   H  HD11 . LEU Axp A 4   ? 21.568 4.299   76.768  1   115.247 ? 432 A 1 c
ATOM 64   H  HD12 . LEU Axp A 4   ? 20.749 3.6     75.604  1   115.648 ? 432 A 1 c
ATOM 65   H  HD13 . LEU Axp A 4   ? 21.495 2.717   76.69   1   115.373 ? 432 A 1 c
ATOM 66   H  HD21 . LEU Axp A 4   ? 18.058 2.365   77.602  1   96.008  ? 432 A 1 c
ATOM 67   H  HD22 . LEU Axp A 4   ? 19.391 1.584   77.965  1   96.044  ? 432 A 1 c
ATOM 68   H  HD23 . LEU Axp A 4   ? 19.024 1.865   76.447  1   96.103  ? 432 A 1 c
ATOM 69   N  N    . ASN Axp A 5   ? 20.007 5.245   81.697  1   98.531  ? 433 A 1 .
ATOM 70   C  CA   . ASN Axp A 5   ? 20.323 5.386   83.109  1   113.59  ? 433 A 1 .
ATOM 71   C  C    . ASN Axp A 5   ? 19.088 5.199   83.979  1   108.702 ? 433 A 1 .
ATOM 72   O  O    . ASN Axp A 5   ? 19.096 4.452   84.957  1   107.457 ? 433 A 1 .
ATOM 73   C  CB   . ASN Axp A 5   ? 20.842 6.783   83.42   1   135.15  ? 433 A 1 .
ATOM 74   C  CG   . ASN Axp A 5   ? 22.343 6.821   83.407  1   159.658 ? 433 A 1 .
ATOM 75   O  OD1  . ASN Axp A 5   ? 22.972 6.202   84.279  1   139.638 ? 433 A 1 .
ATOM 76   N  ND2  . ASN Axp A 5   ? 22.904 7.544   82.444  1   208.578 ? 433 A 1 .
ATOM 77   H  H    . ASN Axp A 5   ? 20.289 5.895   81.119  1   100.734 ? 433 A 1 c
ATOM 78   H  HA   . ASN Axp A 5   ? 21.012 4.728   83.358  1   113.542 ? 433 A 1 c
ATOM 79   H  HB3  . ASN Axp A 5   ? 20.522 7.061   84.301  1   134.879 ? 433 A 1 c
ATOM 80   H  HB2  . ASN Axp A 5   ? 20.499 7.414   82.759  1   135.154 ? 433 A 1 c
ATOM 81   H  HD21 . ASN Axp A 5   ? 23.578 8.088   82.636  1   191.931 ? 433 A 1 c
ATOM 82   H  HD22 . ASN Axp A 5   ? 22.605 7.481   81.612  1   191.518 ? 433 A 1 c
ATOM 83   N  N    . ILE Axp A 6   ? 18.059 5.972   83.63   1   98.701  ? 434 A 1 .
ATOM 84   C  CA   . ILE Axp A 6   ? 16.803 5.999   84.354  1   99.462  ? 434 A 1 .
ATOM 85   C  C    . ILE Axp A 6   ? 16.133 4.631   84.316  1   94.391  ? 434 A 1 .
ATOM 86   O  O    . ILE Axp A 6   ? 15.568 4.152   85.292  1   84.626  ? 434 A 1 .
ATOM 87   C  CB   . ILE Axp A 6   ? 15.891 7.069   83.737  1   99.84   ? 434 A 1 .
ATOM 88   C  CG1  . ILE Axp A 6   ? 16.545 8.45    83.831  1   103.389 ? 434 A 1 .
ATOM 89   C  CG2  . ILE Axp A 6   ? 14.505 7.015   84.387  1   99.392  ? 434 A 1 .
ATOM 90   C  CD1  . ILE Axp A 6   ? 15.957 9.479   82.895  1   104.758 ? 434 A 1 .
ATOM 91   H  H    . ILE Axp A 6   ? 18.141 6.496   82.886  1   101.41  ? 434 A 1 c
ATOM 92   H  HA   . ILE Axp A 6   ? 16.982 6.238   85.284  1   98.43   ? 434 A 1 c
ATOM 93   H  HB   . ILE Axp A 6   ? 15.784 6.856   82.789  1   100.371 ? 434 A 1 c
ATOM 94   H  HG12 . ILE Axp A 6   ? 17.501 8.366   83.644  1   103.025 ? 434 A 1 c
ATOM 95   H  HG13 . ILE Axp A 6   ? 16.451 8.776   84.749  1   102.912 ? 434 A 1 c
ATOM 96   H  HG21 . ILE Axp A 6   ? 14.038 7.852   84.229  1   99.582  ? 434 A 1 c
ATOM 97   H  HG22 . ILE Axp A 6   ? 14.599 6.875   85.345  1   99.544  ? 434 A 1 c
ATOM 98   H  HG23 . ILE Axp A 6   ? 13.992 6.284   84.004  1   99.692  ? 434 A 1 c
ATOM 99   H  HD11 . ILE Axp A 6   ? 15.802 9.076   82.019  1   104.451 ? 434 A 1 c
ATOM 100  H  HD12 . ILE Axp A 6   ? 16.576 10.227  82.802  1   104.405 ? 434 A 1 c
ATOM 101  H  HD13 . ILE Axp A 6   ? 15.11  9.803   83.256  1   104.38  ? 434 A 1 c
ATOM 102  N  N    . ILE Axp A 7   ? 16.163 4.012   83.142  1   101.846 ? 435 A 1 .
ATOM 103  C  CA   . ILE Axp A 7   ? 15.448 2.77    82.943  1   96.407  ? 435 A 1 .
ATOM 104  C  C    . ILE Axp A 7   ? 16.081 1.716   83.835  1   93.017  ? 435 A 1 .
ATOM 105  O  O    . ILE Axp A 7   ? 15.406 0.969   84.553  1   80.095  ? 435 A 1 .
ATOM 106  C  CB   . ILE Axp A 7   ? 15.47  2.4     81.454  1   86.157  ? 435 A 1 .
ATOM 107  C  CG1  . ILE Axp A 7   ? 14.567 3.329   80.683  1   90.652  ? 435 A 1 .
ATOM 108  C  CG2  . ILE Axp A 7   ? 15.066 0.945   81.243  1   93.031  ? 435 A 1 .
ATOM 109  C  CD1  . ILE Axp A 7   ? 14.733 3.257   79.18   1   118.395 ? 435 A 1 .
ATOM 110  H  H    . ILE Axp A 7   ? 16.633 4.372   82.446  1   98.626  ? 435 A 1 c
ATOM 111  H  HA   . ILE Axp A 7   ? 14.519 2.898   83.218  1   94.753  ? 435 A 1 c
ATOM 112  H  HB   . ILE Axp A 7   ? 16.383 2.517   81.123  1   90.254  ? 435 A 1 c
ATOM 113  H  HG12 . ILE Axp A 7   ? 14.734 4.248   80.975  1   95.437  ? 435 A 1 c
ATOM 114  H  HG13 . ILE Axp A 7   ? 13.639 3.113   80.904  1   95.309  ? 435 A 1 c
ATOM 115  H  HG21 . ILE Axp A 7   ? 14.791 0.809   80.321  1   91.204  ? 435 A 1 c
ATOM 116  H  HG22 . ILE Axp A 7   ? 14.327 0.723   81.834  1   91.052  ? 435 A 1 c
ATOM 117  H  HG23 . ILE Axp A 7   ? 15.821 0.365   81.439  1   91.029  ? 435 A 1 c
ATOM 118  H  HD11 . ILE Axp A 7   ? 15.662 3.056   78.96   1   109.053 ? 435 A 1 c
ATOM 119  H  HD12 . ILE Axp A 7   ? 14.484 4.113   78.783  1   109.271 ? 435 A 1 c
ATOM 120  H  HD13 . ILE Axp A 7   ? 14.157 2.555   78.822  1   109.17  ? 435 A 1 c
ATOM 121  N  N    . GLN Axp A 8   ? 17.405 1.668   83.766  1   90.601  ? 436 A 1 .
ATOM 122  C  CA   . GLN Axp A 8   ? 18.12  0.68    84.538  1   102.824 ? 436 A 1 .
ATOM 123  C  C    . GLN Axp A 8   ? 17.862 0.865   86.036  1   103.988 ? 436 A 1 .
ATOM 124  O  O    . GLN Axp A 8   ? 17.666 -0.099  86.77   1   107.599 ? 436 A 1 .
ATOM 125  C  CB   . GLN Axp A 8   ? 19.584 0.845   84.168  1   95.989  ? 436 A 1 .
ATOM 126  C  CG   . GLN Axp A 8   ? 20.467 -0.156  84.88   1   107.106 ? 436 A 1 .
ATOM 127  C  CD   . GLN Axp A 8   ? 21.906 0.231   84.736  1   131.757 ? 436 A 1 .
ATOM 128  O  OE1  . GLN Axp A 8   ? 22.223 1.299   84.2    1   175.89  ? 436 A 1 .
ATOM 129  N  NE2  . GLN Axp A 8   ? 22.775 -0.64   85.221  1   171.871 ? 436 A 1 .
ATOM 130  H  H    . GLN Axp A 8   ? 17.868 2.247   83.231  1   93.992  ? 436 A 1 c
ATOM 131  H  HA   . GLN Axp A 8   ? 17.809 -0.22   84.264  1   99.119  ? 436 A 1 c
ATOM 132  H  HB3  . GLN Axp A 8   ? 19.868 1.753   84.402  1   100.459 ? 436 A 1 c
ATOM 133  H  HB2  . GLN Axp A 8   ? 19.686 0.734   83.2    1   100.033 ? 436 A 1 c
ATOM 134  H  HG3  . GLN Axp A 8   ? 20.329 -1.049  84.499  1   109.6   ? 436 A 1 c
ATOM 135  H  HG2  . GLN Axp A 8   ? 20.235 -0.19   85.832  1   109.589 ? 436 A 1 c
ATOM 136  H  HE21 . GLN Axp A 8   ? 23.487 -0.867  84.743  1   158.232 ? 436 A 1 c
ATOM 137  H  HE22 . GLN Axp A 8   ? 22.644 -0.996  86.022  1   157.907 ? 436 A 1 c
ATOM 138  N  N    . GLY Axp A 9   ? 17.9   2.11    86.506  1   95.182  ? 437 A 1 .
ATOM 139  C  CA   . GLY Axp A 9   ? 17.682 2.373   87.916  1   97.086  ? 437 A 1 .
ATOM 140  C  C    . GLY Axp A 9   ? 16.313 1.878   88.362  1   95.151  ? 437 A 1 .
ATOM 141  O  O    . GLY Axp A 9   ? 16.142 1.285   89.434  1   121.754 ? 437 A 1 .
ATOM 142  H  H    . GLY Axp A 9   ? 18.07  2.81    85.943  1   97.631  ? 437 A 1 c
ATOM 143  H  HA3  . GLY Axp A 9   ? 17.752 3.343   88.079  1   96.196  ? 437 A 1 c
ATOM 144  H  HA2  . GLY Axp A 9   ? 18.384 1.924   88.442  1   96.196  ? 437 A 1 c
ATOM 145  N  N    . ALA Axp A 10  ? 15.329 2.155   87.516  1   96.459  ? 438 A 1 .
ATOM 146  C  CA   . ALA Axp A 10  ? 13.969 1.751   87.801  1   92.385  ? 438 A 1 .
ATOM 147  C  C    . ALA Axp A 10  ? 13.935 0.237   87.909  1   89.141  ? 438 A 1 .
ATOM 148  O  O    . ALA Axp A 10  ? 13.214 -0.284  88.744  1   87.487  ? 438 A 1 .
ATOM 149  C  CB   . ALA Axp A 10  ? 13.042 2.257   86.718  1   102.292 ? 438 A 1 .
ATOM 150  H  H    . ALA Axp A 10  ? 15.504 2.612   86.744  1   95.303  ? 438 A 1 c
ATOM 151  H  HA   . ALA Axp A 10  ? 13.7   2.139   88.678  1   94.444  ? 438 A 1 c
ATOM 152  H  HB3  . ALA Axp A 10  ? 12.12  2.175   87.013  1   99.265  ? 438 A 1 c
ATOM 153  H  HB2  . ALA Axp A 10  ? 13.168 1.735   85.908  1   99.219  ? 438 A 1 c
ATOM 154  H  HB1  . ALA Axp A 10  ? 13.238 3.191   86.532  1   99.363  ? 438 A 1 c
ATOM 155  N  N    . LEU Axp A 11  ? 14.703 -0.451  87.047  1   102.203 ? 439 A 1 .
ATOM 156  C  CA   . LEU Axp A 11  ? 14.729 -1.908  87.027  1   117.025 ? 439 A 1 .
ATOM 157  C  C    . LEU Axp A 11  ? 15.306 -2.44   88.343  1   133.575 ? 439 A 1 .
ATOM 158  O  O    . LEU Axp A 11  ? 14.873 -3.481  88.842  1   165.229 ? 439 A 1 .
ATOM 159  C  CB   . LEU Axp A 11  ? 15.506 -2.442  85.819  1   109.124 ? 439 A 1 .
ATOM 160  C  CG   . LEU Axp A 11  ? 14.922 -2.144  84.432  1   119.713 ? 439 A 1 .
ATOM 161  C  CD1  . LEU Axp A 11  ? 15.723 -2.915  83.397  1   134.506 ? 439 A 1 .
ATOM 162  C  CD2  . LEU Axp A 11  ? 13.439 -2.448  84.282  1   123.617 ? 439 A 1 .
ATOM 163  H  H    . LEU Axp A 11  ? 15.213 0.004   86.441  1   101.901 ? 439 A 1 c
ATOM 164  H  HA   . LEU Axp A 11  ? 13.792 -2.223  86.963  1   115.082 ? 439 A 1 c
ATOM 165  H  HB3  . LEU Axp A 11  ? 15.586 -3.419  85.917  1   113.435 ? 439 A 1 c
ATOM 166  H  HB2  . LEU Axp A 11  ? 16.418 -2.074  85.855  1   113.239 ? 439 A 1 c
ATOM 167  H  HG   . LEU Axp A 11  ? 15.049 -1.181  84.249  1   120.635 ? 439 A 1 c
ATOM 168  H  HD11 . LEU Axp A 11  ? 16.667 -2.7    83.491  1   129.939 ? 439 A 1 c
ATOM 169  H  HD12 . LEU Axp A 11  ? 15.423 -2.67   82.506  1   129.9   ? 439 A 1 c
ATOM 170  H  HD13 . LEU Axp A 11  ? 15.594 -3.869  83.53   1   129.939 ? 439 A 1 c
ATOM 171  H  HD21 . LEU Axp A 11  ? 12.921 -1.79   84.776  1   122.403 ? 439 A 1 c
ATOM 172  H  HD22 . LEU Axp A 11  ? 13.251 -3.335  84.631  1   122.461 ? 439 A 1 c
ATOM 173  H  HD23 . LEU Axp A 11  ? 13.193 -2.412  83.342  1   122.549 ? 439 A 1 c
ATOM 174  N  N    . GLU Axp A 12  ? 16.284 -1.72   88.905  1   112.865 ? 440 A 1 .
ATOM 175  C  CA   . GLU Axp A 12  ? 17.012 -2.2    90.062  1   94.532  ? 440 A 1 .
ATOM 176  C  C    . GLU Axp A 12  ? 16.235 -1.961  91.352  1   102.475 ? 440 A 1 .
ATOM 177  O  O    . GLU Axp A 12  ? 16.649 -2.449  92.406  1   119.151 ? 440 A 1 .
ATOM 178  C  CB   . GLU Axp A 12  ? 18.356 -1.484  90.094  1   100.442 ? 440 A 1 .
ATOM 179  C  CG   . GLU Axp A 12  ? 19.285 -2.011  89.011  1   127.461 ? 440 A 1 .
ATOM 180  C  CD   . GLU Axp A 12  ? 20.612 -1.303  88.85   1   138.399 ? 440 A 1 .
ATOM 181  O  OE1  . GLU Axp A 12  ? 20.751 -0.113  89.184  1   119.283 ? 440 A 1 .
ATOM 182  O  OE2  . GLU Axp A 12  ? 21.525 -2.007  88.374  1   176.24  ? 440 A 1 .
ATOM 183  H  H    . GLU Axp A 12  ? 16.511 -0.911  88.546  1   112.412 ? 440 A 1 c
ATOM 184  H  HA   . GLU Axp A 12  ? 17.167 -3.173  89.957  1   100.984 ? 440 A 1 c
ATOM 185  H  HB3  . GLU Axp A 12  ? 18.77  -1.617  90.972  1   104.678 ? 440 A 1 c
ATOM 186  H  HB2  . GLU Axp A 12  ? 18.212 -0.522  89.971  1   104.715 ? 440 A 1 c
ATOM 187  H  HG3  . GLU Axp A 12  ? 18.816 -1.975  88.151  1   122.922 ? 440 A 1 c
ATOM 188  H  HG2  . GLU Axp A 12  ? 19.467 -2.958  89.194  1   123.261 ? 440 A 1 c
ATOM 189  N  N    . LEU Axp A 13  ? 15.15  -1.178  91.282  1   90.323  ? 441 A 1 .
ATOM 190  C  CA   . LEU Axp A 13  ? 14.335 -0.888  92.452  1   93.164  ? 441 A 1 .
ATOM 191  C  C    . LEU Axp A 13  ? 13.844 -2.186  93.096  1   120.461 ? 441 A 1 .
ATOM 192  O  O    . LEU Axp A 13  ? 13.5   -2.216  94.274  1   99.162  ? 441 A 1 .
ATOM 193  C  CB   . LEU Axp A 13  ? 13.145 -0.033  92.027  1   93.144  ? 441 A 1 .
ATOM 194  C  CG   . LEU Axp A 13  ? 13.395 1.426   91.65   1   97      ? 441 A 1 .
ATOM 195  C  CD1  . LEU Axp A 13  ? 12.09  2.096   91.263  1   96.717  ? 441 A 1 .
ATOM 196  C  CD2  . LEU Axp A 13  ? 14.023 2.185   92.784  1   109.953 ? 441 A 1 .
ATOM 197  H  H    . LEU Axp A 13  ? 14.917 -0.801  90.483  1   94.049  ? 441 A 1 c
ATOM 198  H  HA   . LEU Axp A 13  ? 14.886 -0.39   93.107  1   97.169  ? 441 A 1 c
ATOM 199  H  HB3  . LEU Axp A 13  ? 12.489 -0.046  92.761  1   94.247  ? 441 A 1 c
ATOM 200  H  HB2  . LEU Axp A 13  ? 12.711 -0.477  91.263  1   94.039  ? 441 A 1 c
ATOM 201  H  HG   . LEU Axp A 13  ? 14.009 1.451   90.872  1   98.609  ? 441 A 1 c
ATOM 202  H  HD11 . LEU Axp A 13  ? 11.637 1.559   90.59   1   96.795  ? 441 A 1 c
ATOM 203  H  HD12 . LEU Axp A 13  ? 12.273 2.979   90.902  1   96.853  ? 441 A 1 c
ATOM 204  H  HD13 . LEU Axp A 13  ? 11.522 2.178   92.047  1   96.809  ? 441 A 1 c
ATOM 205  H  HD21 . LEU Axp A 13  ? 14.967 1.961   92.84   1   105.775 ? 441 A 1 c
ATOM 206  H  HD22 . LEU Axp A 13  ? 13.584 1.945   93.617  1   105.762 ? 441 A 1 c
ATOM 207  H  HD23 . LEU Axp A 13  ? 13.926 3.139   92.631  1   105.652 ? 441 A 1 c
ATOM 208  N  N    . ARG Axp A 14  ? 13.74  -3.251  92.29   1   145.328 ? 442 A 1 .
ATOM 209  C  CA   . ARG Axp A 14  ? 13.232 -4.527  92.762  1   139.287 ? 442 A 1 .
ATOM 210  C  C    . ARG Axp A 14  ? 14.234 -5.188  93.71   1   108.322 ? 442 A 1 .
ATOM 211  O  O    . ARG Axp A 14  ? 13.822 -5.857  94.654  1   88.357  ? 442 A 1 .
ATOM 212  C  CB   . ARG Axp A 14  ? 12.907 -5.414  91.554  1   135.087 ? 442 A 1 .
ATOM 213  C  CG   . ARG Axp A 14  ? 12.097 -6.659  91.901  1   134.397 ? 442 A 1 .
ATOM 214  C  CD   . ARG Axp A 14  ? 12.137 -7.77   90.86   1   127.27  ? 442 A 1 .
ATOM 215  N  NE   . ARG Axp A 14  ? 13.191 -8.773  91.073  1   150.013 ? 442 A 1 .
ATOM 216  C  CZ   . ARG Axp A 14  ? 14.22  -9.082  90.26   1   166.823 ? 442 A 1 .
ATOM 217  N  NH1  . ARG Axp A 14  ? 14.521 -8.34   89.204  1   147.923 ? 442 A 1 .
ATOM 218  N  NH2  . ARG Axp A 14  ? 14.98  -10.135 90.529  1   177.037 ? 442 A 1 .
ATOM 219  H  H    . ARG Axp A 14  ? 13.972 -3.173  91.41   1   136.523 ? 442 A 1 c
ATOM 220  H  HA   . ARG Axp A 14  ? 12.393 -4.361  93.261  1   132.86  ? 442 A 1 c
ATOM 221  H  HB3  . ARG Axp A 14  ? 13.747 -5.692  91.131  1   135.869 ? 442 A 1 c
ATOM 222  H  HB2  . ARG Axp A 14  ? 12.404 -4.884  90.899  1   135.872 ? 442 A 1 c
ATOM 223  H  HG3  . ARG Axp A 14  ? 11.161 -6.396  92.04   1   132.805 ? 442 A 1 c
ATOM 224  H  HG2  . ARG Axp A 14  ? 12.422 -7.021  92.754  1   132.458 ? 442 A 1 c
ATOM 225  H  HD3  . ARG Axp A 14  ? 12.258 -7.362  89.978  1   134.179 ? 442 A 1 c
ATOM 226  H  HD2  . ARG Axp A 14  ? 11.268 -8.22   90.857  1   133.995 ? 442 A 1 c
ATOM 227  H  HE   . ARG Axp A 14  ? 13.15  -9.226  91.816  1   148.236 ? 442 A 1 c
ATOM 228  H  HH11 . ARG Axp A 14  ? 14.563 -7.46   89.283  1   153.502 ? 442 A 1 c
ATOM 229  H  HH12 . ARG Axp A 14  ? 14.678 -8.728  88.425  1   153.502 ? 442 A 1 c
ATOM 230  H  HH21 . ARG Axp A 14  ? 15.275 -10.266 91.352  1   173.829 ? 442 A 1 c
ATOM 231  H  HH22 . ARG Axp A 14  ? 15.188 -10.703 89.883  1   173.829 ? 442 A 1 c
ATOM 232  N  N    . THR Axp A 15  ? 15.539 -5.001  93.456  1   93.931  ? 443 A 1 .
ATOM 233  C  CA   . THR Axp A 15  ? 16.567 -5.762  94.155  1   111.426 ? 443 A 1 .
ATOM 234  C  C    . THR Axp A 15  ? 17.132 -4.994  95.346  1   116.469 ? 443 A 1 .
ATOM 235  O  O    . THR Axp A 15  ? 17.485 -5.607  96.355  1   111.941 ? 443 A 1 .
ATOM 236  C  CB   . THR Axp A 15  ? 17.705 -6.15   93.216  1   117.012 ? 443 A 1 .
ATOM 237  O  OG1  . THR Axp A 15  ? 18.29  -4.95   92.718  1   96.878  ? 443 A 1 .
ATOM 238  C  CG2  . THR Axp A 15  ? 17.224 -7.052  92.099  1   117.97  ? 443 A 1 .
ATOM 239  H  H    . THR Axp A 15  ? 15.794 -4.393  92.824  1   101.515 ? 443 A 1 c
ATOM 240  H  HA   . THR Axp A 15  ? 16.158 -6.589  94.49   1   109.499 ? 443 A 1 c
ATOM 241  H  HB   . THR Axp A 15  ? 18.385 -6.644  93.733  1   111.974 ? 443 A 1 c
ATOM 242  H  HG1  . THR Axp A 15  ? 17.797 -4.7    92.221  0   111.82  ? 443 A 1 c
ATOM 243  H  HG21 . THR Axp A 15  ? 17.989 -7.419  91.626  1   117.653 ? 443 A 1 c
ATOM 244  H  HG22 . THR Axp A 15  ? 16.676 -6.54   91.481  1   117.549 ? 443 A 1 c
ATOM 245  H  HG23 . THR Axp A 15  ? 16.696 -7.778  92.472  1   117.653 ? 443 A 1 c
ATOM 246  N  N    . LYS Axp A 16  ? 17.263 -3.671  95.209  1   101.033 ? 444 A 1 .
ATOM 247  C  CA   . LYS Axp A 16  ? 17.766 -2.867  96.308  1   104.853 ? 444 A 1 .
ATOM 248  C  C    . LYS Axp A 16  ? 16.718 -2.759  97.415  1   99.555  ? 444 A 1 .
ATOM 249  O  O    . LYS Axp A 16  ? 15.518 -2.719  97.136  1   114.455 ? 444 A 1 .
ATOM 250  C  CB   . LYS Axp A 16  ? 18.2   -1.507  95.761  1   111.705 ? 444 A 1 .
ATOM 251  C  CG   . LYS Axp A 16  ? 19.576 -1.567  95.134  1   120.748 ? 444 A 1 .
ATOM 252  C  CD   . LYS Axp A 16  ? 19.888 -0.427  94.179  1   113.415 ? 444 A 1 .
ATOM 253  C  CE   . LYS Axp A 16  ? 21.307 -0.495  93.738  1   122.488 ? 444 A 1 .
ATOM 254  N  NZ   . LYS Axp A 16  ? 21.555 0.463   92.661  1   140.573 ? 444 A 1 .
ATOM 255  H  H    . LYS Axp A 16  ? 17.044 -3.265  94.42   1   105.417 ? 444 A 1 c
ATOM 256  H  HA   . LYS Axp A 16  ? 18.566 -3.319  96.679  1   104.293 ? 444 A 1 c
ATOM 257  H  HB3  . LYS Axp A 16  ? 18.213 -0.852  96.491  1   112.014 ? 444 A 1 c
ATOM 258  H  HB2  . LYS Axp A 16  ? 17.555 -1.202  95.088  1   111.977 ? 444 A 1 c
ATOM 259  H  HG3  . LYS Axp A 16  ? 19.659 -2.417  94.649  1   116.86  ? 444 A 1 c
ATOM 260  H  HG2  . LYS Axp A 16  ? 20.245 -1.57   95.853  1   116.942 ? 444 A 1 c
ATOM 261  H  HD3  . LYS Axp A 16  ? 19.728 0.432   94.628  1   117.128 ? 444 A 1 c
ATOM 262  H  HD2  . LYS Axp A 16  ? 19.299 -0.487  93.396  1   117.226 ? 444 A 1 c
ATOM 263  H  HE3  . LYS Axp A 16  ? 21.511 -1.393  93.421  1   124.309 ? 444 A 1 c
ATOM 264  H  HE2  . LYS Axp A 16  ? 21.895 -0.293  94.488  1   124.324 ? 444 A 1 c
ATOM 265  H  HZ1  . LYS Axp A 16  ? 21.838 1.248   93.013  1   134.776 ? 444 A 1 c
ATOM 266  H  HZ2  . LYS Axp A 16  ? 20.802 0.607   92.179  1   134.467 ? 444 A 1 c
ATOM 267  H  HZ3  . LYS Axp A 16  ? 22.199 0.139   92.112  1   134.692 ? 444 A 1 c
ATOM 268  N  N    . THR Axp A 17  ? 17.204 -2.659  98.663  1   80.465  ? 445 A 1 .
ATOM 269  C  CA   . THR Axp A 17  ? 16.346 -2.457  99.823  1   85.689  ? 445 A 1 .
ATOM 270  C  C    . THR Axp A 17  ? 16.478 -1.033  100.372 1   85.065  ? 445 A 1 .
ATOM 271  O  O    . THR Axp A 17  ? 17.378 -0.296  99.979  1   105.77  ? 445 A 1 .
ATOM 272  C  CB   . THR Axp A 17  ? 16.714 -3.493  100.885 1   97.503  ? 445 A 1 .
ATOM 273  O  OG1  . THR Axp A 17  ? 15.758 -3.332  101.927 1   120.581 ? 445 A 1 .
ATOM 274  C  CG2  . THR Axp A 17  ? 18.112 -3.343  101.465 1   89.025  ? 445 A 1 .
ATOM 275  H  H    . THR Axp A 17  ? 18.107 -2.716  98.793  1   86.332  ? 445 A 1 c
ATOM 276  H  HA   . THR Axp A 17  ? 15.418 -2.606  99.553  1   86.852  ? 445 A 1 c
ATOM 277  H  HB   . THR Axp A 17  ? 16.626 -4.398  100.501 1   97.65   ? 445 A 1 c
ATOM 278  H  HG1  . THR Axp A 17  ? 15.865 -2.639  102.259 0   99.52   ? 445 A 1 c
ATOM 279  H  HG21 . THR Axp A 17  ? 18.152 -3.788  102.328 1   91.974  ? 445 A 1 c
ATOM 280  H  HG22 . THR Axp A 17  ? 18.322 -2.404  101.576 1   91.828  ? 445 A 1 c
ATOM 281  H  HG23 . THR Axp A 17  ? 18.757 -3.75   100.863 1   91.904  ? 445 A 1 c
ATOM 282  N  N    . VAL Axp A 18  ? 15.608 -0.676  101.332 1   84.593  ? 446 A 1 .
ATOM 283  C  CA   . VAL Axp A 18  ? 15.639 0.614   102.035 1   93.249  ? 446 A 1 .
ATOM 284  C  C    . VAL Axp A 18  ? 16.944 0.794   102.805 1   91.561  ? 446 A 1 .
ATOM 285  O  O    . VAL Axp A 18  ? 17.46  1.903   102.984 1   104.759 ? 446 A 1 .
ATOM 286  C  CB   . VAL Axp A 18  ? 14.459 0.83    103.008 1   86.471  ? 446 A 1 .
ATOM 287  C  CG1  . VAL Axp A 18  ? 13.152 0.976   102.245 1   102.101 ? 446 A 1 .
ATOM 288  C  CG2  . VAL Axp A 18  ? 14.339 -0.265  104.059 1   78.222  ? 446 A 1 .
ATOM 289  H  H    . VAL Axp A 18  ? 14.95  -1.27   101.555 1   86.469  ? 446 A 1 c
ATOM 290  H  HA   . VAL Axp A 18  ? 15.596 1.316   101.358 1   90.013  ? 446 A 1 c
ATOM 291  H  HB   . VAL Axp A 18  ? 14.625 1.68    103.48  1   88.79   ? 446 A 1 c
ATOM 292  H  HG11 . VAL Axp A 18  ? 13.079 0.266   101.585 1   97.042  ? 446 A 1 c
ATOM 293  H  HG12 . VAL Axp A 18  ? 13.133 1.838   101.796 1   97.148  ? 446 A 1 c
ATOM 294  H  HG13 . VAL Axp A 18  ? 12.406 0.918   102.865 1   96.737  ? 446 A 1 c
ATOM 295  H  HG21 . VAL Axp A 18  ? 13.554 -0.102  104.608 1   80.711  ? 446 A 1 c
ATOM 296  H  HG22 . VAL Axp A 18  ? 15.131 -0.265  104.622 1   80.687  ? 446 A 1 c
ATOM 297  H  HG23 . VAL Axp A 18  ? 14.253 -1.128  103.623 1   80.679  ? 446 A 1 c
ATOM 298  N  N    . GLU Axp A 19  ? 17.457 -0.322  103.295 1   85.389  ? 447 A 1 .
ATOM 299  C  CA   . GLU Axp A 19  ? 18.705 -0.291  104.013 1   96.168  ? 447 A 1 .
ATOM 300  C  C    . GLU Axp A 19  ? 19.83  0.204   103.109 1   85.518  ? 447 A 1 .
ATOM 301  O  O    . GLU Axp A 19  ? 20.745 0.855   103.579 1   81.884  ? 447 A 1 .
ATOM 302  C  CB   . GLU Axp A 19  ? 18.909 -1.719  104.495 1   134.087 ? 447 A 1 .
ATOM 303  C  CG   . GLU Axp A 19  ? 20.159 -1.897  105.342 1   149.824 ? 447 A 1 .
ATOM 304  C  CD   . GLU Axp A 19  ? 20.101 -3.254  105.997 1   145.09  ? 447 A 1 .
ATOM 305  O  OE1  . GLU Axp A 19  ? 19.7   -4.198  105.27  1   133.253 ? 447 A 1 .
ATOM 306  O  OE2  . GLU Axp A 19  ? 20.44  -3.343  107.201 1   137.824 ? 447 A 1 .
ATOM 307  H  H    . GLU Axp A 19  ? 17.017 -1.116  103.193 1   89.926  ? 447 A 1 c
ATOM 308  H  HA   . GLU Axp A 19  ? 18.614 0.318   104.788 1   97.801  ? 447 A 1 c
ATOM 309  H  HB3  . GLU Axp A 19  ? 18.974 -2.307  103.719 1   126.159 ? 447 A 1 c
ATOM 310  H  HB2  . GLU Axp A 19  ? 18.125 -1.993  105.016 1   126.483 ? 447 A 1 c
ATOM 311  H  HG3  . GLU Axp A 19  ? 20.199 -1.201  106.033 1   144.93  ? 447 A 1 c
ATOM 312  H  HG2  . GLU Axp A 19  ? 20.959 -1.841  104.778 1   144.677 ? 447 A 1 c
ATOM 313  N  N    . ASP Axp A 20  ? 19.763 -0.125  101.819 1   93.745  ? 448 A 1 .
ATOM 314  C  CA   . ASP Axp A 20  ? 20.831 0.154   100.88  1   98.726  ? 448 A 1 .
ATOM 315  C  C    . ASP Axp A 20  ? 20.928 1.645   100.585 1   101.747 ? 448 A 1 .
ATOM 316  O  O    . ASP Axp A 20  ? 21.993 2.12    100.203 1   147.736 ? 448 A 1 .
ATOM 317  C  CB   . ASP Axp A 20  ? 20.612 -0.593  99.577  1   118.006 ? 448 A 1 .
ATOM 318  C  CG   . ASP Axp A 20  ? 20.734 -2.101  99.687  1   128.343 ? 448 A 1 .
ATOM 319  O  OD1  . ASP Axp A 20  ? 21.432 -2.55   100.624 1   135.09  ? 448 A 1 .
ATOM 320  O  OD2  . ASP Axp A 20  ? 20.105 -2.794  98.855  1   123.019 ? 448 A 1 .
ATOM 321  H  H    . ASP Axp A 20  ? 19.012 -0.54   101.506 1   93.006  ? 448 A 1 c
ATOM 322  H  HA   . ASP Axp A 20  ? 21.68  -0.144  101.277 1   101.532 ? 448 A 1 c
ATOM 323  H  HB3  . ASP Axp A 20  ? 21.275 -0.285  98.924  1   115.378 ? 448 A 1 c
ATOM 324  H  HB2  . ASP Axp A 20  ? 19.724 -0.378  99.226  1   115.269 ? 448 A 1 c
ATOM 325  N  N    . VAL Axp A 21  ? 19.843 2.403   100.759 1   81.23   ? 449 A 1 .
ATOM 326  C  CA   . VAL Axp A 21  ? 19.917 3.811   100.409 1   87.449  ? 449 A 1 .
ATOM 327  C  C    . VAL Axp A 21  ? 19.756 4.739   101.611 1   93.618  ? 449 A 1 .
ATOM 328  O  O    . VAL Axp A 21  ? 20.1   5.916   101.502 1   109.573 ? 449 A 1 .
ATOM 329  C  CB   . VAL Axp A 21  ? 18.877 4.114   99.325  1   94.069  ? 449 A 1 .
ATOM 330  C  CG1  . VAL Axp A 21  ? 19.238 3.428   98.011  1   100.465 ? 449 A 1 .
ATOM 331  C  CG2  . VAL Axp A 21  ? 17.477 3.723   99.774  1   93.992  ? 449 A 1 .
ATOM 332  H  H    . VAL Axp A 21  ? 19.064 2.051   101.082 1   87.186  ? 449 A 1 c
ATOM 333  H  HA   . VAL Axp A 21  ? 20.799 3.979   100.025 1   88.957  ? 449 A 1 c
ATOM 334  H  HB   . VAL Axp A 21  ? 18.888 5.088   99.172  1   93.924  ? 449 A 1 c
ATOM 335  H  HG11 . VAL Axp A 21  ? 19.163 2.464   98.117  1   98.422  ? 449 A 1 c
ATOM 336  H  HG12 . VAL Axp A 21  ? 20.15  3.656   97.765  1   98.445  ? 449 A 1 c
ATOM 337  H  HG13 . VAL Axp A 21  ? 18.63  3.724   97.313  1   98.497  ? 449 A 1 c
ATOM 338  H  HG21 . VAL Axp A 21  ? 16.829 4.04    99.122  1   94.011  ? 449 A 1 c
ATOM 339  H  HG22 . VAL Axp A 21  ? 17.287 4.124   100.638 1   94.009  ? 449 A 1 c
ATOM 340  H  HG23 . VAL Axp A 21  ? 17.416 2.757   99.845  1   94      ? 449 A 1 c
ATOM 341  N  N    . MSE Axp A 22  ? 19.259 4.216   102.736 1   76.884  ? 450 A 1 .
ATOM 342  C  CA   . MSE Axp A 22  ? 18.929 5.043   103.877 1   85.715  ? 450 A 1 .
ATOM 343  C  C    . MSE Axp A 22  ? 20.104 5.919   104.301 1   97.57   ? 450 A 1 .
ATOM 344  O  O    . MSE Axp A 22  ? 21.258 5.644   103.985 1   94.013  ? 450 A 1 .
ATOM 345  C  CB   . MSE Axp A 22  ? 18.502 4.178   105.056 1   92.256  ? 450 A 1 .
ATOM 346  C  CG   . MSE Axp A 22  ? 19.6   3.389   105.679 1   100.994 ? 450 A 1 .
ATOM 347  SE SE   . MSE Axp A 22  ? 18.918 2.241   107.129 1   108.899 ? 450 A 1 .
ATOM 348  C  CE   . MSE Axp A 22  ? 20.518 2.344   108.246 1   123.44  ? 450 A 1 .
ATOM 349  H  H    . MSE Axp A 22  ? 19.125 3.314   102.796 1   82.78   ? 450 A 1 c
ATOM 350  H  HA   . MSE Axp A 22  ? 18.178 5.628   103.623 1   87.186  ? 450 A 1 c
ATOM 351  H  HB2  . MSE Axp A 22  ? 17.826 3.573   104.765 1   92.659  ? 450 A 1 c
ATOM 352  H  HB3  . MSE Axp A 22  ? 18.123 4.737   105.726 1   92.546  ? 450 A 1 c
ATOM 353  H  HG2  . MSE Axp A 22  ? 20.277 3.996   106.046 1   99.978  ? 450 A 1 c
ATOM 354  H  HG3  . MSE Axp A 22  ? 20.029 2.829   105     1   99.886  ? 450 A 1 c
ATOM 355  H  HE1  . MSE Axp A 22  ? 20.665 1.49    108.679 1   119.634 ? 450 A 1 c
ATOM 356  H  HE2  . MSE Axp A 22  ? 20.399 3.033   108.913 1   119.263 ? 450 A 1 c
ATOM 357  H  HE3  . MSE Axp A 22  ? 21.284 2.561   107.691 1   119.749 ? 450 A 1 c
ATOM 358  N  N    . THR Axp A 23  ? 19.753 7.017   104.984 1   109.142 ? 451 A 1 .
ATOM 359  C  CA   . THR Axp A 23  ? 20.694 7.774   105.781 1   88.612  ? 451 A 1 .
ATOM 360  C  C    . THR Axp A 23  ? 20.711 7.093   107.142 1   81.671  ? 451 A 1 .
ATOM 361  O  O    . THR Axp A 23  ? 19.708 7.052   107.835 1   90.392  ? 451 A 1 .
ATOM 362  C  CB   . THR Axp A 23  ? 20.317 9.25    105.9   1   93.205  ? 451 A 1 .
ATOM 363  O  OG1  . THR Axp A 23  ? 19.992 9.736   104.598 1   110.54  ? 451 A 1 .
ATOM 364  C  CG2  . THR Axp A 23  ? 21.448 10.037  106.551 1   91.73   ? 451 A 1 .
ATOM 365  H  H    . THR Axp A 23  ? 18.886 7.303   104.948 1   101.052 ? 451 A 1 c
ATOM 366  H  HA   . THR Axp A 23  ? 21.579 7.708   105.369 1   91.794  ? 451 A 1 c
ATOM 367  H  HB   . THR Axp A 23  ? 19.52  9.33    106.476 1   95.101  ? 451 A 1 c
ATOM 368  H  HG1  . THR Axp A 23  ? 20.878 9.561   104.059 0   104.49  ? 451 A 1 c
ATOM 369  H  HG21 . THR Axp A 23  ? 21.324 10.985  106.379 1   92.145  ? 451 A 1 c
ATOM 370  H  HG22 . THR Axp A 23  ? 22.3   9.751   106.18  1   92.127  ? 451 A 1 c
ATOM 371  H  HG23 . THR Axp A 23  ? 21.444 9.879   107.51  1   92.105  ? 451 A 1 c
ATOM 372  N  N    . PRO Axp A 24  ? 21.833 6.475   107.547 1   87.093  ? 452 A 1 .
ATOM 373  C  CA   . PRO Axp A 24  ? 21.911 5.797   108.837 1   80.201  ? 452 A 1 .
ATOM 374  C  C    . PRO Axp A 24  ? 21.892 6.737   110.03  1   79.239  ? 452 A 1 .
ATOM 375  O  O    . PRO Axp A 24  ? 22.13  7.929   109.894 1   95.653  ? 452 A 1 .
ATOM 376  C  CB   . PRO Axp A 24  ? 23.24  5.072   108.79  1   84.09   ? 452 A 1 .
ATOM 377  C  CG   . PRO Axp A 24  ? 24.035 5.882   107.767 1   90.616  ? 452 A 1 .
ATOM 378  C  CD   . PRO Axp A 24  ? 23.064 6.357   106.754 1   92.382  ? 452 A 1 .
ATOM 379  H  HA   . PRO Axp A 24  ? 21.181 5.15    108.914 1   82.357  ? 452 A 1 c
ATOM 380  H  HB3  . PRO Axp A 24  ? 23.125 4.148   108.494 1   84.59   ? 452 A 1 c
ATOM 381  H  HB2  . PRO Axp A 24  ? 23.678 5.08    109.664 1   84.564  ? 452 A 1 c
ATOM 382  H  HG3  . PRO Axp A 24  ? 24.719 5.325   107.346 1   89.553  ? 452 A 1 c
ATOM 383  H  HG2  . PRO Axp A 24  ? 24.475 6.641   108.198 1   89.698  ? 452 A 1 c
ATOM 384  H  HD3  . PRO Axp A 24  ? 23.331 7.221   106.386 1   90.73   ? 452 A 1 c
ATOM 385  H  HD2  . PRO Axp A 24  ? 22.954 5.711   106.03  1   90.744  ? 452 A 1 c
ATOM 386  N  N    . LEU Axp A 25  ? 21.653 6.177   111.212 1   82.03   ? 453 A 1 .
ATOM 387  C  CA   . LEU Axp A 25  ? 21.387 6.982   112.395 1   80.699  ? 453 A 1 .
ATOM 388  C  C    . LEU Axp A 25  ? 22.616 7.749   112.908 1   85.801  ? 453 A 1 .
ATOM 389  O  O    . LEU Axp A 25  ? 22.461 8.861   113.407 1   82.273  ? 453 A 1 .
ATOM 390  C  CB   . LEU Axp A 25  ? 20.838 6.014   113.423 1   81.611  ? 453 A 1 .
ATOM 391  C  CG   . LEU Axp A 25  ? 19.9   6.644   114.437 1   96.15   ? 453 A 1 .
ATOM 392  C  CD1  . LEU Axp A 25  ? 18.658 7.152   113.771 1   101.759 ? 453 A 1 .
ATOM 393  C  CD2  . LEU Axp A 25  ? 19.604 5.605   115.469 1   108.611 ? 453 A 1 .
ATOM 394  H  H    . LEU Axp A 25  ? 21.667 5.266   111.287 1   81.089  ? 453 A 1 c
ATOM 395  H  HA   . LEU Axp A 25  ? 20.687 7.64    112.165 1   82.364  ? 453 A 1 c
ATOM 396  H  HB3  . LEU Axp A 25  ? 21.596 5.608   113.903 1   84.792  ? 453 A 1 c
ATOM 397  H  HB2  . LEU Axp A 25  ? 20.351 5.299   112.954 1   84.758  ? 453 A 1 c
ATOM 398  H  HG   . LEU Axp A 25  ? 20.366 7.405   114.872 1   96.459  ? 453 A 1 c
ATOM 399  H  HD11 . LEU Axp A 25  ? 18.816 8.049   113.431 1   99.866  ? 453 A 1 c
ATOM 400  H  HD12 . LEU Axp A 25  ? 17.93  7.176   114.414 1   100.037 ? 453 A 1 c
ATOM 401  H  HD13 . LEU Axp A 25  ? 18.419 6.565   113.034 1   99.79   ? 453 A 1 c
ATOM 402  H  HD21 . LEU Axp A 25  ? 20.428 5.34    115.91  1   104.509 ? 453 A 1 c
ATOM 403  H  HD22 . LEU Axp A 25  ? 19.201 4.83    115.043 1   104.512 ? 453 A 1 c
ATOM 404  H  HD23 . LEU Axp A 25  ? 18.988 5.967   116.128 1   104.603 ? 453 A 1 c
ATOM 405  N  N    . ARG Axp A 26  ? 23.819 7.159   112.783 1   94.441  ? 454 A 1 .
ATOM 406  C  CA   . ARG Axp A 26  ? 25.106 7.86    112.83  1   105.332 ? 454 A 1 .
ATOM 407  C  C    . ARG Axp A 26  ? 25.107 9.152   111.989 1   93.429  ? 454 A 1 .
ATOM 408  O  O    . ARG Axp A 26  ? 25.767 10.125  112.318 1   91.728  ? 454 A 1 .
ATOM 409  C  CB   . ARG Axp A 26  ? 26.253 6.944   112.341 1   122.721 ? 454 A 1 .
ATOM 410  C  CG   . ARG Axp A 26  ? 27.578 7.658   112.07  1   146.132 ? 454 A 1 .
ATOM 411  C  CD   . ARG Axp A 26  ? 28.547 7.066   111.022 1   145.289 ? 454 A 1 .
ATOM 412  N  NE   . ARG Axp A 26  ? 29.165 8.06    110.12  1   113.597 ? 454 A 1 .
ATOM 413  C  CZ   . ARG Axp A 26  ? 29.621 9.286   110.39  1   77.695  ? 454 A 1 .
ATOM 414  N  NH1  . ARG Axp A 26  ? 29.792 9.767   111.6   1   73.811  ? 454 A 1 .
ATOM 415  N  NH2  . ARG Axp A 26  ? 29.937 10.053  109.395 1   72.928  ? 454 A 1 .
ATOM 416  H  H    . ARG Axp A 26  ? 23.834 6.253   112.665 1   94.59   ? 454 A 1 c
ATOM 417  H  HA   . ARG Axp A 26  ? 25.286 8.104   113.774 1   103.731 ? 454 A 1 c
ATOM 418  H  HB3  . ARG Axp A 26  ? 25.964 6.497   111.517 1   123.481 ? 454 A 1 c
ATOM 419  H  HB2  . ARG Axp A 26  ? 26.405 6.249   113.016 1   123.412 ? 454 A 1 c
ATOM 420  H  HG3  . ARG Axp A 26  ? 28.062 7.725   112.922 1   139.722 ? 454 A 1 c
ATOM 421  H  HG2  . ARG Axp A 26  ? 27.381 8.579   111.805 1   137.764 ? 454 A 1 c
ATOM 422  H  HD3  . ARG Axp A 26  ? 28.06  6.409   110.483 1   137.14  ? 454 A 1 c
ATOM 423  H  HD2  . ARG Axp A 26  ? 29.253 6.588   111.5   1   137.225 ? 454 A 1 c
ATOM 424  H  HE   . ARG Axp A 26  ? 29.248 7.814   109.288 1   109.524 ? 454 A 1 c
ATOM 425  H  HH11 . ARG Axp A 26  ? 29.133 10.203  111.997 1   75.368  ? 454 A 1 c
ATOM 426  H  HH12 . ARG Axp A 26  ? 30.566 9.652   112.013 1   75.075  ? 454 A 1 c
ATOM 427  H  HH21 . ARG Axp A 26  ? 29.327 10.258  108.789 1   74.363  ? 454 A 1 c
ATOM 428  H  HH22 . ARG Axp A 26  ? 30.76  10.367  109.326 1   74.363  ? 454 A 1 c
ATOM 429  N  N    . ASP Axp A 27  ? 24.434 9.148   110.844 1   97.799  ? 455 A 1 .
ATOM 430  C  CA   . ASP Axp A 27  ? 24.466 10.242  109.893 1   106.934 ? 455 A 1 .
ATOM 431  C  C    . ASP Axp A 27  ? 23.166 11.045  109.908 1   99.394  ? 455 A 1 .
ATOM 432  O  O    . ASP Axp A 27  ? 22.998 11.946  109.093 1   123.226 ? 455 A 1 .
ATOM 433  C  CB   . ASP Axp A 27  ? 24.681 9.687   108.488 1   127.388 ? 455 A 1 .
ATOM 434  C  CG   . ASP Axp A 27  ? 26.107 9.264   108.176 1   116.023 ? 455 A 1 .
ATOM 435  O  OD1  . ASP Axp A 27  ? 26.978 9.505   109.04  1   86.223  ? 455 A 1 .
ATOM 436  O  OD2  . ASP Axp A 27  ? 26.346 8.75    107.064 1   122.359 ? 455 A 1 .
ATOM 437  H  H    . ASP Axp A 27  ? 23.936 8.412   110.633 1   98.682  ? 455 A 1 c
ATOM 438  H  HA   . ASP Axp A 27  ? 25.212 10.841  110.119 1   106.752 ? 455 A 1 c
ATOM 439  H  HB3  . ASP Axp A 27  ? 24.426 10.365  107.828 1   119.616 ? 455 A 1 c
ATOM 440  H  HB2  . ASP Axp A 27  ? 24.096 8.912   108.36  1   119.268 ? 455 A 1 c
ATOM 441  N  N    . CYS Axp A 28  ? 22.221 10.713  110.788 1   90.356  ? 456 A 1 .
ATOM 442  C  CA   . CYS Axp A 28  ? 20.931 11.387  110.762 1   90.296  ? 456 A 1 .
ATOM 443  C  C    . CYS Axp A 28  ? 20.998 12.711  111.517 1   96.345  ? 456 A 1 .
ATOM 444  O  O    . CYS Axp A 28  ? 21.581 12.792  112.596 1   111.199 ? 456 A 1 .
ATOM 445  C  CB   . CYS Axp A 28  ? 19.837 10.529  111.369 1   93.817  ? 456 A 1 .
ATOM 446  S  SG   . CYS Axp A 28  ? 19.257 9.277   110.208 1   105.452 ? 456 A 1 .
ATOM 447  H  H    . CYS Axp A 28  ? 22.376 10.068  111.416 1   92.544  ? 456 A 1 c
ATOM 448  H  HA   . CYS Axp A 28  ? 20.698 11.573  109.817 1   92.194  ? 456 A 1 c
ATOM 449  H  HB3  . CYS Axp A 28  ? 19.077 11.098  111.627 1   95.056  ? 456 A 1 c
ATOM 450  H  HB2  . CYS Axp A 28  ? 20.177 10.083  112.176 1   95.034  ? 456 A 1 c
ATOM 451  H  HG   . CYS Axp A 28  ? 18.383 8.603   111.226 0   107.26  ? 456 A 1 c
ATOM 452  N  N    . PHE Axp A 29  ? 20.396 13.747  110.929 1   85.062  ? 457 A 1 .
ATOM 453  C  CA   . PHE Axp A 29  ? 20.191 15.001  111.625 1   76.687  ? 457 A 1 .
ATOM 454  C  C    . PHE Axp A 29  ? 18.916 14.883  112.441 1   90.843  ? 457 A 1 .
ATOM 455  O  O    . PHE Axp A 29  ? 17.826 14.758  111.888 1   119.995 ? 457 A 1 .
ATOM 456  C  CB   . PHE Axp A 29  ? 20.019 16.157  110.643 1   75.914  ? 457 A 1 .
ATOM 457  C  CG   . PHE Axp A 29  ? 19.834 17.512  111.308 1   81.712  ? 457 A 1 .
ATOM 458  C  CD1  . PHE Axp A 29  ? 18.582 17.956  111.7   1   110.842 ? 457 A 1 .
ATOM 459  C  CD2  . PHE Axp A 29  ? 20.915 18.351  111.531 1   91.832  ? 457 A 1 .
ATOM 460  C  CE1  . PHE Axp A 29  ? 18.428 19.195  112.315 1   124.388 ? 457 A 1 .
ATOM 461  C  CE2  . PHE Axp A 29  ? 20.754 19.588  112.131 1   102.856 ? 457 A 1 .
ATOM 462  C  CZ   . PHE Axp A 29  ? 19.511 20.005  112.528 1   115.148 ? 457 A 1 .
ATOM 463  H  H    . PHE Axp A 29  ? 20.104 13.669  110.067 1   85.612  ? 457 A 1 c
ATOM 464  H  HA   . PHE Axp A 29  ? 20.963 15.185  112.224 1   80.858  ? 457 A 1 c
ATOM 465  H  HB3  . PHE Axp A 29  ? 19.239 15.972  110.074 1   77.635  ? 457 A 1 c
ATOM 466  H  HB2  . PHE Axp A 29  ? 20.811 16.194  110.063 1   77.428  ? 457 A 1 c
ATOM 467  H  HD1  . PHE Axp A 29  ? 17.828 17.405  111.565 1   105.796 ? 457 A 1 c
ATOM 468  H  HD2  . PHE Axp A 29  ? 21.777 18.072  111.266 1   92.113  ? 457 A 1 c
ATOM 469  H  HE1  . PHE Axp A 29  ? 17.57  19.483  112.58  1   118.003 ? 457 A 1 c
ATOM 470  H  HE2  . PHE Axp A 29  ? 21.506 20.14   112.278 1   102.856 ? 457 A 1 c
ATOM 471  H  HZ   . PHE Axp A 29  ? 19.401 20.849  112.936 1   113.738 ? 457 A 1 c
ATOM 472  N  N    . MSE Axp A 30  ? 19.05  14.938  113.759 1   86.034  ? 458 A 1 .
ATOM 473  C  CA   . MSE Axp A 30  ? 17.893 14.742  114.607 1   93.203  ? 458 A 1 .
ATOM 474  C  C    . MSE Axp A 30  ? 17.86  15.879  115.605 1   91.583  ? 458 A 1 .
ATOM 475  O  O    . MSE Axp A 30  ? 18.711 16.748  115.537 1   85.33   ? 458 A 1 .
ATOM 476  C  CB   . MSE Axp A 30  ? 17.979 13.382  115.295 1   105.112 ? 458 A 1 .
ATOM 477  C  CG   . MSE Axp A 30  ? 18.148 12.254  114.304 1   113.084 ? 458 A 1 .
ATOM 478  SE SE   . MSE Axp A 30  ? 18.208 10.571  115.224 1   120.519 ? 458 A 1 .
ATOM 479  C  CE   . MSE Axp A 30  ? 16.436 10.64   116.007 1   121.212 ? 458 A 1 .
ATOM 480  H  H    . MSE Axp A 30  ? 19.866 15.097  114.139 1   88.6    ? 458 A 1 c
ATOM 481  H  HA   . MSE Axp A 30  ? 17.078 14.778  114.056 1   93.627  ? 458 A 1 c
ATOM 482  H  HB2  . MSE Axp A 30  ? 17.185 13.237  115.795 1   104.222 ? 458 A 1 c
ATOM 483  H  HB3  . MSE Axp A 30  ? 18.72  13.378  115.896 1   104.058 ? 458 A 1 c
ATOM 484  H  HG2  . MSE Axp A 30  ? 18.979 12.375  113.797 1   112.012 ? 458 A 1 c
ATOM 485  H  HG3  . MSE Axp A 30  ? 17.399 12.253  113.67  1   112.271 ? 458 A 1 c
ATOM 486  H  HE1  . MSE Axp A 30  ? 16.357 9.956   116.685 1   120.644 ? 458 A 1 c
ATOM 487  H  HE2  . MSE Axp A 30  ? 15.775 10.491  115.313 1   120.907 ? 458 A 1 c
ATOM 488  H  HE3  . MSE Axp A 30  ? 16.291 11.508  116.406 1   120.496 ? 458 A 1 c
ATOM 489  N  N    . ILE Axp A 31  ? 16.841 15.893  116.465 1   97.81   ? 459 A 1 .
ATOM 490  C  CA   . ILE Axp A 31  ? 16.784 16.873  117.528 1   97.374  ? 459 A 1 .
ATOM 491  C  C    . ILE Axp A 31  ? 16.134 16.261  118.762 1   102.355 ? 459 A 1 .
ATOM 492  O  O    . ILE Axp A 31  ? 15.196 15.471  118.65  1   110.77  ? 459 A 1 .
ATOM 493  C  CB   . ILE Axp A 31  ? 16.038 18.122  117.059 1   94.176  ? 459 A 1 .
ATOM 494  C  CG1  . ILE Axp A 31  ? 16.194 19.202  118.126 1   112.538 ? 459 A 1 .
ATOM 495  C  CG2  . ILE Axp A 31  ? 14.579 17.788  116.717 1   83.518  ? 459 A 1 .
ATOM 496  C  CD1  . ILE Axp A 31  ? 15.773 20.581  117.673 1   131.41  ? 459 A 1 .
ATOM 497  H  H    . ILE Axp A 31  ? 16.168 15.28   116.385 1   96.236  ? 459 A 1 c
ATOM 498  H  HA   . ILE Axp A 31  ? 17.698 17.13   117.757 1   97.753  ? 459 A 1 c
ATOM 499  H  HB   . ILE Axp A 31  ? 16.474 18.442  116.244 1   95.823  ? 459 A 1 c
ATOM 500  H  HG12 . ILE Axp A 31  ? 17.131 19.237  118.406 1   111.721 ? 459 A 1 c
ATOM 501  H  HG13 . ILE Axp A 31  ? 15.658 18.953  118.906 1   111.517 ? 459 A 1 c
ATOM 502  H  HG21 . ILE Axp A 31  ? 14.207 18.492  116.16  1   86.589  ? 459 A 1 c
ATOM 503  H  HG22 . ILE Axp A 31  ? 14.06  17.718  117.536 1   86.642  ? 459 A 1 c
ATOM 504  H  HG23 . ILE Axp A 31  ? 14.539 16.945  116.238 1   86.799  ? 459 A 1 c
ATOM 505  H  HD11 . ILE Axp A 31  ? 16.285 20.836  116.883 1   125.447 ? 459 A 1 c
ATOM 506  H  HD12 . ILE Axp A 31  ? 15.938 21.224  118.388 1   125.447 ? 459 A 1 c
ATOM 507  H  HD13 . ILE Axp A 31  ? 14.821 20.577  117.455 1   125.263 ? 459 A 1 c
ATOM 508  N  N    . THR Axp A 32  ? 16.631 16.654  119.942 1   91.575  ? 460 A 1 .
ATOM 509  C  CA   . THR Axp A 32  ? 16.054 16.158  121.174 1   97.628  ? 460 A 1 .
ATOM 510  C  C    . THR Axp A 32  ? 14.652 16.745  121.33  1   95.707  ? 460 A 1 .
ATOM 511  O  O    . THR Axp A 32  ? 14.439 17.918  120.998 1   69.485  ? 460 A 1 .
ATOM 512  C  CB   . THR Axp A 32  ? 16.978 16.494  122.344 1   107.838 ? 460 A 1 .
ATOM 513  O  OG1  . THR Axp A 32  ? 16.348 15.919  123.488 1   149.165 ? 460 A 1 .
ATOM 514  C  CG2  . THR Axp A 32  ? 17.219 17.983  122.526 1   84.963  ? 460 A 1 .
ATOM 515  H  H    . THR Axp A 32  ? 17.341 17.228  119.973 1   95.405  ? 460 A 1 c
ATOM 516  H  HA   . THR Axp A 32  ? 15.983 15.181  121.109 1   97.983  ? 460 A 1 c
ATOM 517  H  HB   . THR Axp A 32  ? 17.849 16.053  122.202 1   108.026 ? 460 A 1 c
ATOM 518  H  HG1  . THR Axp A 32  ? 15.465 16.335  123.665 0   99.78   ? 460 A 1 c
ATOM 519  H  HG21 . THR Axp A 32  ? 17.788 18.125  123.301 1   91.163  ? 460 A 1 c
ATOM 520  H  HG22 . THR Axp A 32  ? 16.372 18.437  122.663 1   91.064  ? 460 A 1 c
ATOM 521  H  HG23 . THR Axp A 32  ? 17.656 18.344  121.737 1   91.183  ? 460 A 1 c
ATOM 522  N  N    . GLY Axp A 33  ? 13.729 15.915  121.864 1   95.597  ? 461 A 1 .
ATOM 523  C  CA   . GLY Axp A 33  ? 12.351 16.298  122.149 1   89.093  ? 461 A 1 .
ATOM 524  C  C    . GLY Axp A 33  ? 12.278 17.382  123.223 1   89.204  ? 461 A 1 .
ATOM 525  O  O    . GLY Axp A 33  ? 11.291 18.088  123.37  1   90.937  ? 461 A 1 .
ATOM 526  H  H    . GLY Axp A 33  ? 13.982 15.059  122.06  1   94.325  ? 461 A 1 c
ATOM 527  H  HA3  . GLY Axp A 33  ? 11.851 15.503  122.449 1   90.627  ? 461 A 1 c
ATOM 528  H  HA2  . GLY Axp A 33  ? 11.931 16.629  121.323 1   90.647  ? 461 A 1 c
ATOM 529  N  N    . GLU Axp A 34  ? 13.367 17.521  123.965 1   108.659 ? 462 A 1 .
ATOM 530  C  CA   . GLU Axp A 34  ? 13.461 18.458  125.065 1   113.894 ? 462 A 1 .
ATOM 531  C  C    . GLU Axp A 34  ? 13.635 19.869  124.51  1   95.052  ? 462 A 1 .
ATOM 532  O  O    . GLU Axp A 34  ? 13.431 20.843  125.222 1   106.844 ? 462 A 1 .
ATOM 533  C  CB   . GLU Axp A 34  ? 14.678 18.136  125.951 1   143.275 ? 462 A 1 .
ATOM 534  C  CG   . GLU Axp A 34  ? 14.827 16.693  126.441 1   143.183 ? 462 A 1 .
ATOM 535  C  CD   . GLU Axp A 34  ? 13.763 16.193  127.397 1   146.325 ? 462 A 1 .
ATOM 536  O  OE1  . GLU Axp A 34  ? 13.453 16.947  128.34  1   143.081 ? 462 A 1 .
ATOM 537  O  OE2  . GLU Axp A 34  ? 13.262 15.058  127.207 1   157.915 ? 462 A 1 .
ATOM 538  H  H    . GLU Axp A 34  ? 14.093 16.998  123.784 1   105.213 ? 462 A 1 c
ATOM 539  H  HA   . GLU Axp A 34  ? 12.628 18.413  125.6   1   113.506 ? 462 A 1 c
ATOM 540  H  HB3  . GLU Axp A 34  ? 14.646 18.718  126.739 1   135.958 ? 462 A 1 c
ATOM 541  H  HB2  . GLU Axp A 34  ? 15.49  18.363  125.452 1   135.711 ? 462 A 1 c
ATOM 542  H  HG3  . GLU Axp A 34  ? 15.698 16.603  126.885 1   143.839 ? 462 A 1 c
ATOM 543  H  HG2  . GLU Axp A 34  ? 14.842 16.096  125.664 1   143.486 ? 462 A 1 c
ATOM 544  N  N    . ALA Axp A 35  ? 14.066 19.969  123.249 1   99.289  ? 463 A 1 .
ATOM 545  C  CA   . ALA Axp A 35  ? 14.705 21.18   122.751 1   108.553 ? 463 A 1 .
ATOM 546  C  C    . ALA Axp A 35  ? 13.76  22.359  122.878 1   99.603  ? 463 A 1 .
ATOM 547  O  O    . ALA Axp A 35  ? 12.544 22.179  122.859 1   100.891 ? 463 A 1 .
ATOM 548  C  CB   . ALA Axp A 35  ? 15.127 21.014  121.309 1   115.973 ? 463 A 1 .
ATOM 549  H  H    . ALA Axp A 35  ? 13.959 19.265  122.677 1   100.411 ? 463 A 1 c
ATOM 550  H  HA   . ALA Axp A 35  ? 15.511 21.361  123.31  1   106.287 ? 463 A 1 c
ATOM 551  H  HB3  . ALA Axp A 35  ? 15.53  21.838  120.989 1   113.636 ? 463 A 1 c
ATOM 552  H  HB2  . ALA Axp A 35  ? 14.35  20.803  120.764 1   113.7   ? 463 A 1 c
ATOM 553  H  HB1  . ALA Axp A 35  ? 15.774 20.292  121.239 1   113.7   ? 463 A 1 c
ATOM 554  N  N    . ILE Axp A 36  ? 14.337 23.56   122.97  1   103.936 ? 464 A 1 .
ATOM 555  C  CA   . ILE Axp A 36  ? 13.524 24.765  123.049 1   113.704 ? 464 A 1 .
ATOM 556  C  C    . ILE Axp A 36  ? 13.912 25.661  121.882 1   103.282 ? 464 A 1 .
ATOM 557  O  O    . ILE Axp A 36  ? 15.078 25.705  121.489 1   106.695 ? 464 A 1 .
ATOM 558  C  CB   . ILE Axp A 36  ? 13.634 25.494  124.406 1   119.128 ? 464 A 1 .
ATOM 559  C  CG1  . ILE Axp A 36  ? 14.742 26.57   124.427 1   132.075 ? 464 A 1 .
ATOM 560  C  CG2  . ILE Axp A 36  ? 13.761 24.512  125.573 1   99.125  ? 464 A 1 .
ATOM 561  C  CD1  . ILE Axp A 36  ? 14.226 27.986  124.256 1   131.591 ? 464 A 1 .
ATOM 562  H  H    . ILE Axp A 36  ? 15.248 23.634  122.982 1   105.014 ? 464 A 1 c
ATOM 563  H  HA   . ILE Axp A 36  ? 12.592 24.507  122.928 1   110.256 ? 464 A 1 c
ATOM 564  H  HB   . ILE Axp A 36  ? 12.788 25.967  124.532 1   116.457 ? 464 A 1 c
ATOM 565  H  HG12 . ILE Axp A 36  ? 15.391 26.38   123.721 1   128.482 ? 464 A 1 c
ATOM 566  H  HG13 . ILE Axp A 36  ? 15.213 26.514  125.284 1   128.65  ? 464 A 1 c
ATOM 567  H  HG21 . ILE Axp A 36  ? 13.537 24.964  126.405 1   104.621 ? 464 A 1 c
ATOM 568  H  HG22 . ILE Axp A 36  ? 14.673 24.18   125.622 1   104.618 ? 464 A 1 c
ATOM 569  H  HG23 . ILE Axp A 36  ? 13.152 23.766  125.439 1   104.618 ? 464 A 1 c
ATOM 570  H  HD11 . ILE Axp A 36  ? 13.889 28.114  123.35  1   130.752 ? 464 A 1 c
ATOM 571  H  HD12 . ILE Axp A 36  ? 14.948 28.619  124.427 1   131.248 ? 464 A 1 c
ATOM 572  H  HD13 . ILE Axp A 36  ? 13.504 28.141  124.894 1   131.239 ? 464 A 1 c
ATOM 573  N  N    . LEU Axp A 37  ? 12.913 26.346  121.325 1   90.619  ? 465 A 1 .
ATOM 574  C  CA   . LEU Axp A 37  ? 13.071 27.019  120.047 1   102.198 ? 465 A 1 .
ATOM 575  C  C    . LEU Axp A 37  ? 13.383 28.487  120.316 1   97.34   ? 465 A 1 .
ATOM 576  O  O    . LEU Axp A 37  ? 12.586 29.372  119.971 1   87.626  ? 465 A 1 .
ATOM 577  C  CB   . LEU Axp A 37  ? 11.848 26.825  119.145 1   106.849 ? 465 A 1 .
ATOM 578  C  CG   . LEU Axp A 37  ? 11.424 25.365  118.926 1   120.745 ? 465 A 1 .
ATOM 579  C  CD1  . LEU Axp A 37  ? 10.109 25.221  118.191 1   137.979 ? 465 A 1 .
ATOM 580  C  CD2  . LEU Axp A 37  ? 12.487 24.603  118.173 1   124.859 ? 465 A 1 .
ATOM 581  H  H    . LEU Axp A 37  ? 12.108 26.4    121.755 1   96.332  ? 465 A 1 c
ATOM 582  H  HA   . LEU Axp A 37  ? 13.858 26.625  119.592 1   100.028 ? 465 A 1 c
ATOM 583  H  HB3  . LEU Axp A 37  ? 12.044 27.227  118.268 1   108.813 ? 465 A 1 c
ATOM 584  H  HB2  . LEU Axp A 37  ? 11.09  27.315  119.538 1   108.828 ? 465 A 1 c
ATOM 585  H  HG   . LEU Axp A 37  ? 11.319 24.939  119.816 1   121.634 ? 465 A 1 c
ATOM 586  H  HD11 . LEU Axp A 37  ? 9.434  25.774  118.621 1   132.609 ? 465 A 1 c
ATOM 587  H  HD12 . LEU Axp A 37  ? 9.825  24.292  118.21  1   132.56  ? 465 A 1 c
ATOM 588  H  HD13 . LEU Axp A 37  ? 10.219 25.506  117.268 1   132.609 ? 465 A 1 c
ATOM 589  H  HD21 . LEU Axp A 37  ? 13.258 24.464  118.749 1   123.331 ? 465 A 1 c
ATOM 590  H  HD22 . LEU Axp A 37  ? 12.757 25.11   117.389 1   123.55  ? 465 A 1 c
ATOM 591  H  HD23 . LEU Axp A 37  ? 12.135 23.741  117.894 1   123.537 ? 465 A 1 c
ATOM 592  N  N    . ASP Axp A 38  ? 14.556 28.689  120.944 1   84.606  ? 466 A 1 .
ATOM 593  C  CA   . ASP Axp A 38  ? 15.203 29.985  121.03  1   91.221  ? 466 A 1 .
ATOM 594  C  C    . ASP Axp A 38  ? 15.784 30.329  119.671 1   95.73   ? 466 A 1 .
ATOM 595  O  O    . ASP Axp A 38  ? 15.551 29.611  118.696 1   103.395 ? 466 A 1 .
ATOM 596  C  CB   . ASP Axp A 38  ? 16.322 29.98   122.053 1   109.607 ? 466 A 1 .
ATOM 597  C  CG   . ASP Axp A 38  ? 17.366 28.898  121.855 1   117.386 ? 466 A 1 .
ATOM 598  O  OD1  . ASP Axp A 38  ? 17.557 28.469  120.705 1   120.191 ? 466 A 1 .
ATOM 599  O  OD2  . ASP Axp A 38  ? 17.915 28.436  122.863 1   152.521 ? 466 A 1 .
ATOM 600  H  H    . ASP Axp A 38  ? 14.973 27.973  121.329 1   89.715  ? 466 A 1 c
ATOM 601  H  HA   . ASP Axp A 38  ? 14.531 30.66   121.278 1   93.778  ? 466 A 1 c
ATOM 602  H  HB3  . ASP Axp A 38  ? 15.925 29.857  122.939 1   107.22  ? 466 A 1 c
ATOM 603  H  HB2  . ASP Axp A 38  ? 16.776 30.847  122.058 1   106.69  ? 466 A 1 c
ATOM 604  N  N    . PHE Axp A 39  ? 16.523 31.44   119.602 1   95.812  ? 467 A 1 .
ATOM 605  C  CA   . PHE Axp A 39  ? 17.119 31.823  118.335 1   103.118 ? 467 A 1 .
ATOM 606  C  C    . PHE Axp A 39  ? 18.025 30.698  117.834 1   107.173 ? 467 A 1 .
ATOM 607  O  O    . PHE Axp A 39  ? 17.82  30.197  116.733 1   93.67   ? 467 A 1 .
ATOM 608  C  CB   . PHE Axp A 39  ? 17.956 33.101  118.33  1   101.807 ? 467 A 1 .
ATOM 609  C  CG   . PHE Axp A 39  ? 18.213 33.583  116.912 1   93.588  ? 467 A 1 .
ATOM 610  C  CD1  . PHE Axp A 39  ? 19.082 32.896  116.069 1   110.795 ? 467 A 1 .
ATOM 611  C  CD2  . PHE Axp A 39  ? 17.574 34.712  116.419 1   88.038  ? 467 A 1 .
ATOM 612  C  CE1  . PHE Axp A 39  ? 19.298 33.322  114.767 1   138.569 ? 467 A 1 .
ATOM 613  C  CE2  . PHE Axp A 39  ? 17.795 35.135  115.116 1   112.144 ? 467 A 1 .
ATOM 614  C  CZ   . PHE Axp A 39  ? 18.649 34.439  114.289 1   134.082 ? 467 A 1 .
ATOM 615  H  H    . PHE Axp A 39  ? 16.639 31.974  120.334 1   97.504  ? 467 A 1 c
ATOM 616  H  HA   . PHE Axp A 39  ? 16.382 31.939  117.678 1   102.003 ? 467 A 1 c
ATOM 617  H  HB3  . PHE Axp A 39  ? 18.814 32.926  118.776 1   100.293 ? 467 A 1 c
ATOM 618  H  HB2  . PHE Axp A 39  ? 17.477 33.798  118.829 1   100.089 ? 467 A 1 c
ATOM 619  H  HD1  . PHE Axp A 39  ? 19.525 32.126  116.385 1   112.089 ? 467 A 1 c
ATOM 620  H  HD2  . PHE Axp A 39  ? 16.974 35.188  116.972 1   95.136  ? 467 A 1 c
ATOM 621  H  HE1  . PHE Axp A 39  ? 19.894 32.848  114.209 1   129.579 ? 467 A 1 c
ATOM 622  H  HE2  . PHE Axp A 39  ? 17.355 35.898  114.797 1   110.226 ? 467 A 1 c
ATOM 623  H  HZ   . PHE Axp A 39  ? 18.808 34.74   113.409 1   128.591 ? 467 A 1 c
ATOM 624  N  N    . ASN Axp A 40  ? 19.021 30.306  118.64  1   122.948 ? 468 A 1 .
ATOM 625  C  CA   . ASN Axp A 40  ? 20.098 29.466  118.143 1   124.505 ? 468 A 1 .
ATOM 626  C  C    . ASN Axp A 40  ? 19.613 28.106  117.681 1   115.232 ? 468 A 1 .
ATOM 627  O  O    . ASN Axp A 40  ? 20.185 27.564  116.739 1   132.732 ? 468 A 1 .
ATOM 628  C  CB   . ASN Axp A 40  ? 21.166 29.237  119.188 1   126.269 ? 468 A 1 .
ATOM 629  C  CG   . ASN Axp A 40  ? 21.828 30.546  119.498 1   142.816 ? 468 A 1 .
ATOM 630  O  OD1  . ASN Axp A 40  ? 21.483 31.572  118.907 1   161.833 ? 468 A 1 .
ATOM 631  N  ND2  . ASN Axp A 40  ? 22.75  30.534  120.438 1   179.762 ? 468 A 1 .
ATOM 632  H  H    . ASN Axp A 40  ? 19.025 30.564  119.517 1   119.206 ? 468 A 1 c
ATOM 633  H  HA   . ASN Axp A 40  ? 20.518 29.922  117.377 1   123.117 ? 468 A 1 c
ATOM 634  H  HB3  . ASN Axp A 40  ? 21.831 28.603  118.852 1   129.403 ? 468 A 1 c
ATOM 635  H  HB2  . ASN Axp A 40  ? 20.763 28.869  120     1   129.47  ? 468 A 1 c
ATOM 636  H  HD21 . ASN Axp A 40  ? 22.784 31.191  121.032 1   167.371 ? 468 A 1 c
ATOM 637  H  HD22 . ASN Axp A 40  ? 23.335 29.868  120.475 1   167.126 ? 468 A 1 c
ATOM 638  N  N    . THR Axp A 41  ? 18.62  27.564  118.39  1   104.537 ? 469 A 1 .
ATOM 639  C  CA   . THR Axp A 41  ? 18.055 26.275  118.045 1   112.026 ? 469 A 1 .
ATOM 640  C  C    . THR Axp A 41  ? 17.434 26.362  116.654 1   111.56  ? 469 A 1 .
ATOM 641  O  O    . THR Axp A 41  ? 17.76  25.562  115.77  1   117.155 ? 469 A 1 .
ATOM 642  C  CB   . THR Axp A 41  ? 17.032 25.852  119.093 1   102.126 ? 469 A 1 .
ATOM 643  O  OG1  . THR Axp A 41  ? 17.707 25.85   120.341 1   93.84   ? 469 A 1 .
ATOM 644  C  CG2  . THR Axp A 41  ? 16.531 24.444  118.852 1   108.826 ? 469 A 1 .
ATOM 645  H  H    . THR Axp A 41  ? 18.289 28.01   119.116 1   108.826 ? 469 A 1 c
ATOM 646  H  HA   . THR Axp A 41  ? 18.78  25.613  118.028 1   108.569 ? 469 A 1 c
ATOM 647  H  HB   . THR Axp A 41  ? 16.277 26.487  119.119 1   103.319 ? 469 A 1 c
ATOM 648  H  HG1  . THR Axp A 41  ? 18.442 25.364  120.355 0   122.08  ? 469 A 1 c
ATOM 649  H  HG21 . THR Axp A 41  ? 16.196 24.072  119.685 1   106.716 ? 469 A 1 c
ATOM 650  H  HG22 . THR Axp A 41  ? 17.258 23.892  118.52  1   106.818 ? 469 A 1 c
ATOM 651  H  HG23 . THR Axp A 41  ? 15.814 24.463  118.196 1   106.79  ? 469 A 1 c
ATOM 652  N  N    . MSE Axp A 42  ? 16.549 27.355  116.487 1   96.254  ? 470 A 1 .
ATOM 653  C  CA   . MSE Axp A 42  ? 15.849 27.569  115.232 1   98.21   ? 470 A 1 .
ATOM 654  C  C    . MSE Axp A 42  ? 16.87  27.803  114.12  1   89.87   ? 470 A 1 .
ATOM 655  O  O    . MSE Axp A 42  ? 16.678 27.34   112.992 1   85.698  ? 470 A 1 .
ATOM 656  C  CB   . MSE Axp A 42  ? 14.859 28.733  115.384 1   112.131 ? 470 A 1 .
ATOM 657  C  CG   . MSE Axp A 42  ? 13.567 28.371  116.144 1   112.892 ? 470 A 1 .
ATOM 658  SE SE   . MSE Axp A 42  ? 12.25  29.843  116.297 1   121.187 ? 470 A 1 .
ATOM 659  C  CE   . MSE Axp A 42  ? 12.028 30.437  114.439 1   114.255 ? 470 A 1 .
ATOM 660  H  H    . MSE Axp A 42  ? 16.374 27.915  117.187 1   100.413 ? 470 A 1 c
ATOM 661  H  HA   . MSE Axp A 42  ? 15.344 26.751  115.021 1   98.633  ? 470 A 1 c
ATOM 662  H  HB2  . MSE Axp A 42  ? 14.618 29.048  114.516 1   108.821 ? 470 A 1 c
ATOM 663  H  HB3  . MSE Axp A 42  ? 15.29  29.448  115.846 1   108.865 ? 470 A 1 c
ATOM 664  H  HG2  . MSE Axp A 42  ? 13.808 28.075  117.048 1   114.04  ? 470 A 1 c
ATOM 665  H  HG3  . MSE Axp A 42  ? 13.137 27.615  115.692 1   114.072 ? 470 A 1 c
ATOM 666  H  HE1  . MSE Axp A 42  ? 11.401 31.177  114.41  1   115.738 ? 470 A 1 c
ATOM 667  H  HE2  . MSE Axp A 42  ? 11.688 29.704  113.904 1   115.582 ? 470 A 1 c
ATOM 668  H  HE3  . MSE Axp A 42  ? 12.885 30.724  114.087 1   115.738 ? 470 A 1 c
ATOM 669  N  N    . SER Axp A 43  ? 17.943 28.524  114.476 1   101.227 ? 471 A 1 .
ATOM 670  C  CA   . SER Axp A 43  ? 19.016 28.908  113.568 1   101.68  ? 471 A 1 .
ATOM 671  C  C    . SER Axp A 43  ? 19.738 27.683  113.042 1   92.289  ? 471 A 1 .
ATOM 672  O  O    . SER Axp A 43  ? 19.995 27.635  111.848 1   87.634  ? 471 A 1 .
ATOM 673  C  CB   . SER Axp A 43  ? 20.014 29.836  114.22  1   113.442 ? 471 A 1 .
ATOM 674  O  OG   . SER Axp A 43  ? 21.084 30.186  113.355 1   104.617 ? 471 A 1 .
ATOM 675  H  H    . SER Axp A 43  ? 18.002 28.808  115.343 1   98.714  ? 471 A 1 c
ATOM 676  H  HA   . SER Axp A 43  ? 18.609 29.381  112.798 1   101.748 ? 471 A 1 c
ATOM 677  H  HB3  . SER Axp A 43  ? 20.377 29.405  115.016 1   108.729 ? 471 A 1 c
ATOM 678  H  HB2  . SER Axp A 43  ? 19.554 30.644  114.505 1   108.866 ? 471 A 1 c
ATOM 679  H  HG   . SER Axp A 43  ? 21.355 30.987  113.756 0   119.54  ? 471 A 1 c
ATOM 680  N  N    . GLU Axp A 44  ? 20.079 26.74   113.934 1   101.318 ? 472 A 1 .
ATOM 681  C  CA   . GLU Axp A 44  ? 20.78  25.519  113.554 1   105.482 ? 472 A 1 .
ATOM 682  C  C    . GLU Axp A 44  ? 19.872 24.642  112.704 1   87.419  ? 472 A 1 .
ATOM 683  O  O    . GLU Axp A 44  ? 20.334 24.021  111.756 1   90.26   ? 472 A 1 .
ATOM 684  C  CB   . GLU Axp A 44  ? 21.246 24.736  114.777 1   113.45  ? 472 A 1 .
ATOM 685  C  CG   . GLU Axp A 44  ? 22.378 25.462  115.501 1   144.767 ? 472 A 1 .
ATOM 686  C  CD   . GLU Axp A 44  ? 22.679 24.97   116.908 1   156.055 ? 472 A 1 .
ATOM 687  O  OE1  . GLU Axp A 44  ? 22.023 23.967  117.293 1   133.626 ? 472 A 1 .
ATOM 688  O  OE2  . GLU Axp A 44  ? 23.537 25.583  117.611 1   144.687 ? 472 A 1 .
ATOM 689  H  H    . GLU Axp A 44  ? 19.87  26.867  114.815 1   100.092 ? 472 A 1 c
ATOM 690  H  HA   . GLU Axp A 44  ? 21.573 25.77   113.015 1   102.381 ? 472 A 1 c
ATOM 691  H  HB3  . GLU Axp A 44  ? 21.552 23.849  114.493 1   117.745 ? 472 A 1 c
ATOM 692  H  HB2  . GLU Axp A 44  ? 20.486 24.613  115.384 1   117.955 ? 472 A 1 c
ATOM 693  H  HG3  . GLU Axp A 44  ? 22.162 26.417  115.549 1   138.838 ? 472 A 1 c
ATOM 694  H  HG2  . GLU Axp A 44  ? 23.196 25.379  114.966 1   139.221 ? 472 A 1 c
ATOM 695  N  N    . ILE Axp A 45  ? 18.578 24.66   113.027 1   82.225  ? 473 A 1 .
ATOM 696  C  CA   . ILE Axp A 45  ? 17.563 23.917  112.297 1   88.45   ? 473 A 1 .
ATOM 697  C  C    . ILE Axp A 45  ? 17.402 24.476  110.886 1   86.121  ? 473 A 1 .
ATOM 698  O  O    . ILE Axp A 45  ? 17.376 23.743  109.903 1   87.856  ? 473 A 1 .
ATOM 699  C  CB   . ILE Axp A 45  ? 16.23  23.956  113.068 1   95.719  ? 473 A 1 .
ATOM 700  C  CG1  . ILE Axp A 45  ? 16.327 23.184  114.376 1   104.312 ? 473 A 1 .
ATOM 701  C  CG2  . ILE Axp A 45  ? 15.073 23.44   112.22  1   96.756  ? 473 A 1 .
ATOM 702  C  CD1  . ILE Axp A 45  ? 15.269 23.553  115.398 1   105.11  ? 473 A 1 .
ATOM 703  H  H    . ILE Axp A 45  ? 18.314 25.157  113.747 1   85.421  ? 473 A 1 c
ATOM 704  H  HA   . ILE Axp A 45  ? 17.852 22.986  112.231 1   88.033  ? 473 A 1 c
ATOM 705  H  HB   . ILE Axp A 45  ? 16.043 24.888  113.291 1   95.982  ? 473 A 1 c
ATOM 706  H  HG12 . ILE Axp A 45  ? 17.21  23.335  114.768 1   102.21  ? 473 A 1 c
ATOM 707  H  HG13 . ILE Axp A 45  ? 16.25  22.228  114.179 1   102.381 ? 473 A 1 c
ATOM 708  H  HG21 . ILE Axp A 45  ? 14.35  23.145  112.797 1   96.557  ? 473 A 1 c
ATOM 709  H  HG22 . ILE Axp A 45  ? 15.375 22.693  111.676 1   96.369  ? 473 A 1 c
ATOM 710  H  HG23 . ILE Axp A 45  ? 14.751 24.151  111.641 1   96.405  ? 473 A 1 c
ATOM 711  H  HD11 . ILE Axp A 45  ? 15.247 24.522  115.513 1   104.752 ? 473 A 1 c
ATOM 712  H  HD12 . ILE Axp A 45  ? 15.482 23.131  116.252 1   104.845 ? 473 A 1 c
ATOM 713  H  HD13 . ILE Axp A 45  ? 14.394 23.244  115.095 1   104.787 ? 473 A 1 c
ATOM 714  N  N    . MSE Axp A 46  ? 17.255 25.788  110.774 1   86.187  ? 474 A 1 .
ATOM 715  C  CA   . MSE Axp A 46  ? 17.057 26.356  109.455 1   101.881 ? 474 A 1 .
ATOM 716  C  C    . MSE Axp A 46  ? 18.365 26.285  108.665 1   96.944  ? 474 A 1 .
ATOM 717  O  O    . MSE Axp A 46  ? 18.362 26.31   107.436 1   116.293 ? 474 A 1 .
ATOM 718  C  CB   . MSE Axp A 46  ? 16.527 27.788  109.561 1   101.766 ? 474 A 1 .
ATOM 719  C  CG   . MSE Axp A 46  ? 15.089 27.895  110.035 1   91.82   ? 474 A 1 .
ATOM 720  SE SE   . MSE Axp A 46  ? 14.805 29.713  110.647 1   120.773 ? 474 A 1 .
ATOM 721  C  CE   . MSE Axp A 46  ? 14.669 30.569  108.898 1   115.215 ? 474 A 1 .
ATOM 722  H  H    . MSE Axp A 46  ? 17.273 26.331  111.509 1   89.56   ? 474 A 1 c
ATOM 723  H  HA   . MSE Axp A 46  ? 16.384 25.81   108.986 1   97.563  ? 474 A 1 c
ATOM 724  H  HB2  . MSE Axp A 46  ? 16.591 28.204  108.705 1   99.392  ? 474 A 1 c
ATOM 725  H  HB3  . MSE Axp A 46  ? 17.08  28.276  110.166 1   99.487  ? 474 A 1 c
ATOM 726  H  HG2  . MSE Axp A 46  ? 14.924 27.267  110.77  1   98.722  ? 474 A 1 c
ATOM 727  H  HG3  . MSE Axp A 46  ? 14.471 27.691  109.301 1   98.722  ? 474 A 1 c
ATOM 728  H  HE1  . MSE Axp A 46  ? 14.508 31.517  109.02  1   115.812 ? 474 A 1 c
ATOM 729  H  HE2  . MSE Axp A 46  ? 13.934 30.175  108.402 1   116.209 ? 474 A 1 c
ATOM 730  H  HE3  . MSE Axp A 46  ? 15.498 30.436  108.413 1   115.878 ? 474 A 1 c
ATOM 731  N  N    . GLU Axp A 47  ? 19.488 26.184  109.373 1   81.785  ? 475 A 1 .
ATOM 732  C  CA   . GLU Axp A 47  ? 20.781 26.104  108.723 1   92.888  ? 475 A 1 .
ATOM 733  C  C    . GLU Axp A 47  ? 20.915 24.749  108.041 1   94.58   ? 475 A 1 .
ATOM 734  O  O    . GLU Axp A 47  ? 21.581 24.643  107.008 1   112.366 ? 475 A 1 .
ATOM 735  C  CB   . GLU Axp A 47  ? 21.902 26.302  109.746 1   115.838 ? 475 A 1 .
ATOM 736  C  CG   . GLU Axp A 47  ? 23.321 26.29   109.176 1   123.708 ? 475 A 1 .
ATOM 737  C  CD   . GLU Axp A 47  ? 24.419 26.359  110.243 1   150.306 ? 475 A 1 .
ATOM 738  O  OE1  . GLU Axp A 47  ? 24.188 26.454  111.49  1   133.051 ? 475 A 1 .
ATOM 739  O  OE2  . GLU Axp A 47  ? 25.573 26.295  109.774 1   168.932 ? 475 A 1 .
ATOM 740  H  H    . GLU Axp A 47  ? 19.453 26.186  110.285 1   87.883  ? 475 A 1 c
ATOM 741  H  HA   . GLU Axp A 47  ? 20.836 26.817  108.036 1   94.741  ? 475 A 1 c
ATOM 742  H  HB3  . GLU Axp A 47  ? 21.835 25.6    110.425 1   111.742 ? 475 A 1 c
ATOM 743  H  HB2  . GLU Axp A 47  ? 21.766 27.162  110.193 1   111.647 ? 475 A 1 c
ATOM 744  H  HG3  . GLU Axp A 47  ? 23.429 27.053  108.569 1   127.367 ? 475 A 1 c
ATOM 745  H  HG2  . GLU Axp A 47  ? 23.451 25.472  108.652 1   127.153 ? 475 A 1 c
ATOM 746  N  N    . SER Axp A 48  ? 20.314 23.724  108.66  1   98.089  ? 476 A 1 .
ATOM 747  C  CA   . SER Axp A 48  ? 20.511 22.335  108.265 1   93.688  ? 476 A 1 .
ATOM 748  C  C    . SER Axp A 48  ? 20.069 22.117  106.82  1   105.814 ? 476 A 1 .
ATOM 749  O  O    . SER Axp A 48  ? 20.603 21.237  106.148 1   90.416  ? 476 A 1 .
ATOM 750  C  CB   . SER Axp A 48  ? 19.765 21.412  109.18  1   81.8    ? 476 A 1 .
ATOM 751  O  OG   . SER Axp A 48  ? 18.369 21.442  108.904 1   86.558  ? 476 A 1 .
ATOM 752  H  H    . SER Axp A 48  ? 19.762 23.897  109.367 1   95.848  ? 476 A 1 c
ATOM 753  H  HA   . SER Axp A 48  ? 21.478 22.129  108.329 1   94.229  ? 476 A 1 c
ATOM 754  H  HB3  . SER Axp A 48  ? 19.917 21.684  110.105 1   85.606  ? 476 A 1 c
ATOM 755  H  HB2  . SER Axp A 48  ? 20.104 20.507  109.073 1   85.664  ? 476 A 1 c
ATOM 756  H  HG   . SER Axp A 48  ? 17.808 20.982  109.448 0   110.67  ? 476 A 1 c
ATOM 757  N  N    . GLY Axp A 49  ? 19.046 22.884  106.398 1   108.778 ? 477 A 1 .
ATOM 758  C  CA   . GLY Axp A 49  ? 18.473 22.825  105.065 1   98.917  ? 477 A 1 .
ATOM 759  C  C    . GLY Axp A 49  ? 17.534 21.638  104.873 1   100.764 ? 477 A 1 .
ATOM 760  O  O    . GLY Axp A 49  ? 16.937 21.54   103.809 1   116.002 ? 477 A 1 .
ATOM 761  H  H    . GLY Axp A 49  ? 18.675 23.472  106.991 1   105.536 ? 477 A 1 c
ATOM 762  H  HA3  . GLY Axp A 49  ? 19.205 22.77   104.407 1   101.571 ? 477 A 1 c
ATOM 763  H  HA2  . GLY Axp A 49  ? 17.979 23.661  104.895 1   101.602 ? 477 A 1 c
ATOM 764  N  N    . TYR Axp A 50  ? 17.435 20.736  105.871 1   114.194 ? 478 A 1 .
ATOM 765  C  CA   . TYR Axp A 50  ? 16.543 19.583  105.821 1   100.113 ? 478 A 1 .
ATOM 766  C  C    . TYR Axp A 50  ? 15.097 20.06   105.987 1   93.375  ? 478 A 1 .
ATOM 767  O  O    . TYR Axp A 50  ? 14.805 20.969  106.762 1   85.552  ? 478 A 1 .
ATOM 768  C  CB   . TYR Axp A 50  ? 16.864 18.531  106.89  1   94.627  ? 478 A 1 .
ATOM 769  C  CG   . TYR Axp A 50  ? 18.249 17.902  106.819 1   102.286 ? 478 A 1 .
ATOM 770  C  CD1  . TYR Axp A 50  ? 18.503 16.781  106.038 1   134.467 ? 478 A 1 .
ATOM 771  C  CD2  . TYR Axp A 50  ? 19.297 18.404  107.569 1   92.881  ? 478 A 1 .
ATOM 772  C  CE1  . TYR Axp A 50  ? 19.76  16.188  106.004 1   128.193 ? 478 A 1 .
ATOM 773  C  CE2  . TYR Axp A 50  ? 20.562 17.855  107.514 1   102.828 ? 478 A 1 .
ATOM 774  C  CZ   . TYR Axp A 50  ? 20.795 16.744  106.738 1   113.988 ? 478 A 1 .
ATOM 775  O  OH   . TYR Axp A 50  ? 22.076 16.3    106.809 1   130.939 ? 478 A 1 .
ATOM 776  H  H    . TYR Axp A 50  ? 17.942 20.851  106.621 1   107.438 ? 478 A 1 c
ATOM 777  H  HA   . TYR Axp A 50  ? 16.636 19.159  104.927 1   100.404 ? 478 A 1 c
ATOM 778  H  HB3  . TYR Axp A 50  ? 16.193 17.815  106.825 1   97.544  ? 478 A 1 c
ATOM 779  H  HB2  . TYR Axp A 50  ? 16.756 18.95   107.773 1   97.562  ? 478 A 1 c
ATOM 780  H  HD1  . TYR Axp A 50  ? 17.801 16.401  105.533 1   124.188 ? 478 A 1 c
ATOM 781  H  HD2  . TYR Axp A 50  ? 19.152 19.167  108.099 1   97.453  ? 478 A 1 c
ATOM 782  H  HE1  . TYR Axp A 50  ? 19.917 15.438  105.457 1   125.6   ? 478 A 1 c
ATOM 783  H  HE2  . TYR Axp A 50  ? 21.259 18.222  108.032 1   103.259 ? 478 A 1 c
ATOM 784  H  HH   . TYR Axp A 50  ? 22.014 15.613  105.72  0   113.9   ? 478 A 1 c
ATOM 785  N  N    . THR Axp A 51  ? 14.201 19.431  105.225 1   97.463  ? 479 A 1 .
ATOM 786  C  CA   . THR Axp A 51  ? 12.809 19.832  105.131 1   89.19   ? 479 A 1 .
ATOM 787  C  C    . THR Axp A 51  ? 12.104 19.397  106.41  1   78.587  ? 479 A 1 .
ATOM 788  O  O    . THR Axp A 51  ? 11.24  20.096  106.901 1   73.17   ? 479 A 1 .
ATOM 789  C  CB   . THR Axp A 51  ? 12.175 19.177  103.893 1   109.926 ? 479 A 1 .
ATOM 790  O  OG1  . THR Axp A 51  ? 13.005 19.27   102.729 1   113.137 ? 479 A 1 .
ATOM 791  C  CG2  . THR Axp A 51  ? 10.808 19.757  103.568 1   113.678 ? 479 A 1 .
ATOM 792  H  H    . THR Axp A 51  ? 14.474 18.706  104.739 1   94.697  ? 479 A 1 c
ATOM 793  H  HA   . THR Axp A 51  ? 12.76  20.809  105.044 1   92.183  ? 479 A 1 c
ATOM 794  H  HB   . THR Axp A 51  ? 12.039 18.22   104.097 1   106.884 ? 479 A 1 c
ATOM 795  H  HG1  . THR Axp A 51  ? 12.813 20.881  102.719 0   103.94  ? 479 A 1 c
ATOM 796  H  HG21 . THR Axp A 51  ? 10.551 19.5    102.667 1   112.481 ? 479 A 1 c
ATOM 797  H  HG22 . THR Axp A 51  ? 10.843 20.726  103.63  1   112.361 ? 479 A 1 c
ATOM 798  H  HG23 . THR Axp A 51  ? 10.152 19.417  104.2   1   112.338 ? 479 A 1 c
ATOM 799  N  N    . ARG Axp A 52  ? 12.445 18.194  106.891 1   94.089  ? 480 A 1 .
ATOM 800  C  CA   . ARG Axp A 52  ? 11.766 17.508  107.986 1   91.21   ? 480 A 1 .
ATOM 801  C  C    . ARG Axp A 52  ? 12.827 16.901  108.902 1   80.688  ? 480 A 1 .
ATOM 802  O  O    . ARG Axp A 52  ? 13.745 16.253  108.416 1   57.059  ? 480 A 1 .
ATOM 803  C  CB   . ARG Axp A 52  ? 10.904 16.342  107.489 1   92.143  ? 480 A 1 .
ATOM 804  C  CG   . ARG Axp A 52  ? 9.887  16.747  106.439 1   107.208 ? 480 A 1 .
ATOM 805  C  CD   . ARG Axp A 52  ? 9.676  15.717  105.338 1   137.232 ? 480 A 1 .
ATOM 806  N  NE   . ARG Axp A 52  ? 10.903 15.365  104.619 1   124.38  ? 480 A 1 .
ATOM 807  C  CZ   . ARG Axp A 52  ? 10.898 14.458  103.677 1   148.6   ? 480 A 1 .
ATOM 808  N  NH1  . ARG Axp A 52  ? 9.759  13.875  103.333 1   188.518 ? 480 A 1 .
ATOM 809  N  NH2  . ARG Axp A 52  ? 12.025 14.159  103.076 1   146.383 ? 480 A 1 .
ATOM 810  H  H    . ARG Axp A 52  ? 13.151 17.765  106.501 1   89.538  ? 480 A 1 c
ATOM 811  H  HA   . ARG Axp A 52  ? 11.218 18.159  108.491 1   89.731  ? 480 A 1 c
ATOM 812  H  HB3  . ARG Axp A 52  ? 10.43  15.952  108.255 1   95.223  ? 480 A 1 c
ATOM 813  H  HB2  . ARG Axp A 52  ? 11.49  15.649  107.117 1   95.388  ? 480 A 1 c
ATOM 814  H  HG3  . ARG Axp A 52  ? 10.163 17.592  106.028 1   109.258 ? 480 A 1 c
ATOM 815  H  HG2  . ARG Axp A 52  ? 9.03   16.907  106.884 1   109.775 ? 480 A 1 c
ATOM 816  H  HD3  . ARG Axp A 52  ? 9.022  16.069  104.7   1   127.113 ? 480 A 1 c
ATOM 817  H  HD2  . ARG Axp A 52  ? 9.296  14.907  105.737 1   127.199 ? 480 A 1 c
ATOM 818  H  HE   . ARG Axp A 52  ? 11.647 15.771  104.817 1   132.101 ? 480 A 1 c
ATOM 819  H  HH11 . ARG Axp A 52  ? 9.425  13.225  103.828 1   173.741 ? 480 A 1 c
ATOM 820  H  HH12 . ARG Axp A 52  ? 9.338  14.159  102.612 1   173.987 ? 480 A 1 c
ATOM 821  H  HH21 . ARG Axp A 52  ? 12.769 14.084  103.548 1   146.569 ? 480 A 1 c
ATOM 822  H  HH22 . ARG Axp A 52  ? 12.037 14.034  102.201 1   146.945 ? 480 A 1 c
ATOM 823  N  N    . ILE Axp A 53  ? 12.684 17.092  110.225 1   92.631  ? 481 A 1 .
ATOM 824  C  CA   . ILE Axp A 53  ? 13.712 16.707  111.179 1   93.55   ? 481 A 1 .
ATOM 825  C  C    . ILE Axp A 53  ? 13.156 15.757  112.226 1   81.543  ? 481 A 1 .
ATOM 826  O  O    . ILE Axp A 53  ? 12.176 16.085  112.869 1   84.702  ? 481 A 1 .
ATOM 827  C  CB   . ILE Axp A 53  ? 14.31  17.94   111.854 1   98.772  ? 481 A 1 .
ATOM 828  C  CG1  . ILE Axp A 53  ? 14.996 18.802  110.813 1   99.315  ? 481 A 1 .
ATOM 829  C  CG2  . ILE Axp A 53  ? 15.232 17.528  113.008 1   113.825 ? 481 A 1 .
ATOM 830  C  CD1  . ILE Axp A 53  ? 14.152 19.945  110.295 1   105.37  ? 481 A 1 .
ATOM 831  H  H    . ILE Axp A 53  ? 11.915 17.474  110.54  1   89.918  ? 481 A 1 c
ATOM 832  H  HA   . ILE Axp A 53  ? 14.425 16.256  110.696 1   91.684  ? 481 A 1 c
ATOM 833  H  HB   . ILE Axp A 53  ? 13.572 18.459  112.231 1   100.53  ? 481 A 1 c
ATOM 834  H  HG12 . ILE Axp A 53  ? 15.255 18.237  110.057 1   100.503 ? 481 A 1 c
ATOM 835  H  HG13 . ILE Axp A 53  ? 15.814 19.171  111.201 1   100.87  ? 481 A 1 c
ATOM 836  H  HG21 . ILE Axp A 53  ? 15.792 18.28   113.263 1   109.091 ? 481 A 1 c
ATOM 837  H  HG22 . ILE Axp A 53  ? 15.796 16.788  112.727 1   108.905 ? 481 A 1 c
ATOM 838  H  HG23 . ILE Axp A 53  ? 14.698 17.254  113.773 1   108.958 ? 481 A 1 c
ATOM 839  H  HD11 . ILE Axp A 53  ? 13.384 19.596  109.805 1   103.354 ? 481 A 1 c
ATOM 840  H  HD12 . ILE Axp A 53  ? 14.69  20.501  109.7   1   103.49  ? 481 A 1 c
ATOM 841  H  HD13 . ILE Axp A 53  ? 13.838 20.486  111.045 1   103.476 ? 481 A 1 c
ATOM 842  N  N    . PRO Axp A 54  ? 13.756 14.561  112.402 1   82.481  ? 482 A 1 .
ATOM 843  C  CA   . PRO Axp A 54  ? 13.32  13.624  113.419 1   86.303  ? 482 A 1 .
ATOM 844  C  C    . PRO Axp A 54  ? 13.51  14.168  114.828 1   88.156  ? 482 A 1 .
ATOM 845  O  O    . PRO Axp A 54  ? 14.53  14.788  115.085 1   102.33  ? 482 A 1 .
ATOM 846  C  CB   . PRO Axp A 54  ? 14.185 12.396  113.141 1   88.172  ? 482 A 1 .
ATOM 847  C  CG   . PRO Axp A 54  ? 14.559 12.528  111.69  1   90.022  ? 482 A 1 .
ATOM 848  C  CD   . PRO Axp A 54  ? 14.808 13.99   111.551 1   102.32  ? 482 A 1 .
ATOM 849  H  HA   . PRO Axp A 54  ? 12.377 13.402  113.274 1   86.389  ? 482 A 1 c
ATOM 850  H  HB3  . PRO Axp A 54  ? 13.682 11.573  113.298 1   88.167  ? 482 A 1 c
ATOM 851  H  HB2  . PRO Axp A 54  ? 14.981 12.394  113.707 1   88.167  ? 482 A 1 c
ATOM 852  H  HG3  . PRO Axp A 54  ? 13.829 12.239  111.107 1   92.275  ? 482 A 1 c
ATOM 853  H  HG2  . PRO Axp A 54  ? 15.364 12.013  111.482 1   92.275  ? 482 A 1 c
ATOM 854  H  HD3  . PRO Axp A 54  ? 15.689 14.236  111.878 1   94.684  ? 482 A 1 c
ATOM 855  H  HD2  . PRO Axp A 54  ? 14.709 14.278  110.624 1   94.533  ? 482 A 1 c
ATOM 856  N  N    . VAL Axp A 55  ? 12.503 13.971  115.692 1   85.86   ? 483 A 1 .
ATOM 857  C  CA   . VAL Axp A 55  ? 12.563 14.353  117.094 1   91.434  ? 483 A 1 .
ATOM 858  C  C    . VAL Axp A 55  ? 12.63  13.106  117.972 1   91.937  ? 483 A 1 .
ATOM 859  O  O    . VAL Axp A 55  ? 11.801 12.216  117.865 1   98.326  ? 483 A 1 .
ATOM 860  C  CB   . VAL Axp A 55  ? 11.314 15.159  117.461 1   91.879  ? 483 A 1 .
ATOM 861  C  CG1  . VAL Axp A 55  ? 11.407 15.606  118.916 1   92.957  ? 483 A 1 .
ATOM 862  C  CG2  . VAL Axp A 55  ? 11.082 16.299  116.471 1   90.978  ? 483 A 1 .
ATOM 863  H  H    . VAL Axp A 55  ? 11.738 13.575  115.387 1   87.654  ? 483 A 1 c
ATOM 864  H  HA   . VAL Axp A 55  ? 13.354 14.901  117.244 1   90.749  ? 483 A 1 c
ATOM 865  H  HB   . VAL Axp A 55  ? 10.546 14.546  117.389 1   91.904  ? 483 A 1 c
ATOM 866  H  HG11 . VAL Axp A 55  ? 12.335 15.779  119.146 1   92.593  ? 483 A 1 c
ATOM 867  H  HG12 . VAL Axp A 55  ? 11.056 14.908  119.494 1   92.619  ? 483 A 1 c
ATOM 868  H  HG13 . VAL Axp A 55  ? 10.888 16.418  119.04  1   92.597  ? 483 A 1 c
ATOM 869  H  HG21 . VAL Axp A 55  ? 10.477 16.952  116.862 1   91.236  ? 483 A 1 c
ATOM 870  H  HG22 . VAL Axp A 55  ? 10.691 15.946  115.654 1   91.206  ? 483 A 1 c
ATOM 871  H  HG23 . VAL Axp A 55  ? 11.93  16.728  116.265 1   91.201  ? 483 A 1 c
ATOM 872  N  N    . PHE Axp A 56  ? 13.609 13.054  118.862 1   97.57   ? 484 A 1 .
ATOM 873  C  CA   . PHE Axp A 56  ? 13.827 11.862  119.654 1   101.865 ? 484 A 1 .
ATOM 874  C  C    . PHE Axp A 56  ? 13.812 12.285  121.11  1   131.697 ? 484 A 1 .
ATOM 875  O  O    . PHE Axp A 56  ? 14.045 13.469  121.421 1   117.665 ? 484 A 1 .
ATOM 876  C  CB   . PHE Axp A 56  ? 15.161 11.158  119.385 1   104.412 ? 484 A 1 .
ATOM 877  C  CG   . PHE Axp A 56  ? 16.393 12.009  119.699 1   113.338 ? 484 A 1 .
ATOM 878  C  CD1  . PHE Axp A 56  ? 16.951 12.861  118.746 1   114.491 ? 484 A 1 .
ATOM 879  C  CD2  . PHE Axp A 56  ? 17.001 11.941  120.947 1   114.943 ? 484 A 1 .
ATOM 880  C  CE1  . PHE Axp A 56  ? 18.06  13.63   119.041 1   106.566 ? 484 A 1 .
ATOM 881  C  CE2  . PHE Axp A 56  ? 18.107 12.717  121.241 1   109.047 ? 484 A 1 .
ATOM 882  C  CZ   . PHE Axp A 56  ? 18.634 13.555  120.29  1   114.025 ? 484 A 1 .
ATOM 883  H  H    . PHE Axp A 56  ? 14.157 13.775  118.984 1   97.302  ? 484 A 1 c
ATOM 884  H  HA   . PHE Axp A 56  ? 13.085 11.224  119.494 1   106.585 ? 484 A 1 c
ATOM 885  H  HB3  . PHE Axp A 56  ? 15.188 10.895  118.44  1   106.011 ? 484 A 1 c
ATOM 886  H  HB2  . PHE Axp A 56  ? 15.196 10.34   119.926 1   105.719 ? 484 A 1 c
ATOM 887  H  HD1  . PHE Axp A 56  ? 16.553 12.926  117.894 1   112.273 ? 484 A 1 c
ATOM 888  H  HD2  . PHE Axp A 56  ? 16.64  11.373  121.608 1   113.081 ? 484 A 1 c
ATOM 889  H  HE1  . PHE Axp A 56  ? 18.422 14.208  118.388 1   110.119 ? 484 A 1 c
ATOM 890  H  HE2  . PHE Axp A 56  ? 18.506 12.661  122.095 1   111.528 ? 484 A 1 c
ATOM 891  H  HZ   . PHE Axp A 56  ? 19.396 14.075  120.49  1   111.111 ? 484 A 1 c
ATOM 892  N  N    . GLU Axp A 57  ? 13.533 11.283  121.964 1   143.339 ? 485 A 1 .
ATOM 893  C  CA   . GLU Axp A 57  ? 13.504 11.464  123.408 1   125.993 ? 485 A 1 .
ATOM 894  C  C    . GLU Axp A 57  ? 14.462 10.48   124.058 1   108.847 ? 485 A 1 .
ATOM 895  O  O    . GLU Axp A 57  ? 14.216 9.282   124.053 1   117.641 ? 485 A 1 .
ATOM 896  C  CB   . GLU Axp A 57  ? 12.083 11.359  123.959 1   123.198 ? 485 A 1 .
ATOM 897  C  CG   . GLU Axp A 57  ? 11.328 12.673  123.77  1   152.347 ? 485 A 1 .
ATOM 898  C  CD   . GLU Axp A 57  ? 9.889  12.688  124.213 1   161.176 ? 485 A 1 .
ATOM 899  O  OE1  . GLU Axp A 57  ? 9.455  11.652  124.782 1   149.143 ? 485 A 1 .
ATOM 900  O  OE2  . GLU Axp A 57  ? 9.241  13.734  123.952 1   162.756 ? 485 A 1 .
ATOM 901  H  H    . GLU Axp A 57  ? 13.356 10.453  121.628 1   135.875 ? 485 A 1 c
ATOM 902  H  HA   . GLU Axp A 57  ? 13.827 12.379  123.606 1   125.051 ? 485 A 1 c
ATOM 903  H  HB3  . GLU Axp A 57  ? 12.122 11.13   124.911 1   129.877 ? 485 A 1 c
ATOM 904  H  HB2  . GLU Axp A 57  ? 11.611 10.639  123.493 1   129.884 ? 485 A 1 c
ATOM 905  H  HG3  . GLU Axp A 57  ? 11.357 12.915  122.821 1   146.97  ? 485 A 1 c
ATOM 906  H  HG2  . GLU Axp A 57  ? 11.802 13.378  124.259 1   146.906 ? 485 A 1 c
ATOM 907  N  N    . GLY Axp A 58  ? 15.556 11.014  124.608 1   95.221  ? 486 A 1 .
ATOM 908  C  CA   . GLY Axp A 58  ? 16.543 10.192  125.28  1   96.243  ? 486 A 1 .
ATOM 909  C  C    . GLY Axp A 58  ? 17.6   9.679   124.314 1   93.619  ? 486 A 1 .
ATOM 910  O  O    . GLY Axp A 58  ? 18.6   10.365  124.097 1   106.999 ? 486 A 1 .
ATOM 911  H  H    . GLY Axp A 58  ? 15.692 11.917  124.563 1   98.93   ? 486 A 1 c
ATOM 912  H  HA3  . GLY Axp A 58  ? 16.092 9.43    125.714 1   95.683  ? 486 A 1 c
ATOM 913  H  HA2  . GLY Axp A 58  ? 16.977 10.727  125.986 1   95.46   ? 486 A 1 c
ATOM 914  N  N    . GLU Axp A 59  ? 17.381 8.474   123.773 1   107.215 ? 487 A 1 .
ATOM 915  C  CA   . GLU Axp A 59  ? 18.248 7.976   122.723 1   133.909 ? 487 A 1 .
ATOM 916  C  C    . GLU Axp A 59  ? 17.775 8.407   121.343 1   116.299 ? 487 A 1 .
ATOM 917  O  O    . GLU Axp A 59  ? 16.596 8.601   121.075 1   89.3    ? 487 A 1 .
ATOM 918  C  CB   . GLU Axp A 59  ? 18.408 6.463   122.765 1   145.77  ? 487 A 1 .
ATOM 919  C  CG   . GLU Axp A 59  ? 19.465 6.048   123.776 1   166.31  ? 487 A 1 .
ATOM 920  C  CD   . GLU Axp A 59  ? 18.994 6.117   125.205 1   160.851 ? 487 A 1 .
ATOM 921  O  OE1  . GLU Axp A 59  ? 17.774 6.054   125.427 1   168.095 ? 487 A 1 .
ATOM 922  O  OE2  . GLU Axp A 59  ? 19.863 6.213   126.088 1   166.201 ? 487 A 1 .
ATOM 923  H  H    . GLU Axp A 59  ? 16.683 7.958   124.061 1   109.189 ? 487 A 1 c
ATOM 924  H  HA   . GLU Axp A 59  ? 19.147 8.367   122.867 1   126.882 ? 487 A 1 c
ATOM 925  H  HB3  . GLU Axp A 59  ? 18.673 6.145   121.877 1   146.817 ? 487 A 1 c
ATOM 926  H  HB2  . GLU Axp A 59  ? 17.545 6.054   122.985 1   147.094 ? 487 A 1 c
ATOM 927  H  HG3  . GLU Axp A 59  ? 20.251 6.626   123.677 1   159.734 ? 487 A 1 c
ATOM 928  H  HG2  . GLU Axp A 59  ? 19.747 5.128   123.584 1   160.081 ? 487 A 1 c
ATOM 929  N  N    . ARG Axp A 60  ? 18.755 8.502   120.456 1   119.133 ? 488 A 1 .
ATOM 930  C  CA   . ARG Axp A 60  ? 18.487 8.793   119.067 1   121.064 ? 488 A 1 .
ATOM 931  C  C    . ARG Axp A 60  ? 17.649 7.682   118.432 1   107.712 ? 488 A 1 .
ATOM 932  O  O    . ARG Axp A 60  ? 16.901 7.956   117.514 1   96.643  ? 488 A 1 .
ATOM 933  C  CB   . ARG Axp A 60  ? 19.835 8.987   118.379 1   114.091 ? 488 A 1 .
ATOM 934  C  CG   . ARG Axp A 60  ? 20.664 10.092  119.018 1   112.058 ? 488 A 1 .
ATOM 935  C  CD   . ARG Axp A 60  ? 21.979 10.125  118.294 1   124.267 ? 488 A 1 .
ATOM 936  N  NE   . ARG Axp A 60  ? 21.775 10.214  116.843 1   131.033 ? 488 A 1 .
ATOM 937  C  CZ   . ARG Axp A 60  ? 21.564 11.344  116.168 1   115.254 ? 488 A 1 .
ATOM 938  N  NH1  . ARG Axp A 60  ? 21.435 12.488  116.828 1   103.054 ? 488 A 1 .
ATOM 939  N  NH2  . ARG Axp A 60  ? 21.51  11.31   114.844 1   103.244 ? 488 A 1 .
ATOM 940  H  H    . ARG Axp A 60  ? 19.617 8.351   120.72  1   118.939 ? 488 A 1 c
ATOM 941  H  HA   . ARG Axp A 60  ? 17.978 9.641   119.018 1   116.694 ? 488 A 1 c
ATOM 942  H  HB3  . ARG Axp A 60  ? 19.68  9.204   117.436 1   115.357 ? 488 A 1 c
ATOM 943  H  HB2  . ARG Axp A 60  ? 20.338 8.146   118.417 1   115.25  ? 488 A 1 c
ATOM 944  H  HG3  . ARG Axp A 60  ? 20.815 9.904   119.968 1   115.279 ? 488 A 1 c
ATOM 945  H  HG2  . ARG Axp A 60  ? 20.209 10.956  118.919 1   115.233 ? 488 A 1 c
ATOM 946  H  HD3  . ARG Axp A 60  ? 22.484 9.312   118.5   1   122.861 ? 488 A 1 c
ATOM 947  H  HD2  . ARG Axp A 60  ? 22.503 10.894  118.598 1   122.736 ? 488 A 1 c
ATOM 948  H  HE   . ARG Axp A 60  ? 21.797 9.472   116.386 1   125.08  ? 488 A 1 c
ATOM 949  H  HH11 . ARG Axp A 60  ? 20.695 12.652  117.282 1   106.665 ? 488 A 1 c
ATOM 950  H  HH12 . ARG Axp A 60  ? 22.091 13.081  116.81  1   106.665 ? 488 A 1 c
ATOM 951  H  HH21 . ARG Axp A 60  ? 21.746 10.578  114.408 1   107.116 ? 488 A 1 c
ATOM 952  H  HH22 . ARG Axp A 60  ? 21.24  12.025  114.399 1   106.887 ? 488 A 1 c
ATOM 953  N  N    . SER Axp A 61  ? 17.759 6.434   118.901 1   107.675 ? 489 A 1 .
ATOM 954  C  CA   . SER Axp A 61  ? 16.904 5.379   118.388 1   111.744 ? 489 A 1 .
ATOM 955  C  C    . SER Axp A 61  ? 15.48  5.543   118.918 1   109.421 ? 489 A 1 .
ATOM 956  O  O    . SER Axp A 61  ? 14.563 4.932   118.386 1   105.138 ? 489 A 1 .
ATOM 957  C  CB   . SER Axp A 61  ? 17.459 4.009   118.677 1   122.09  ? 489 A 1 .
ATOM 958  O  OG   . SER Axp A 61  ? 17.374 3.7     120.055 1   149.806 ? 489 A 1 .
ATOM 959  H  H    . SER Axp A 61  ? 18.381 6.234   119.54  1   109.033 ? 489 A 1 c
ATOM 960  H  HA   . SER Axp A 61  ? 16.866 5.481   117.402 1   112.242 ? 489 A 1 c
ATOM 961  H  HB3  . SER Axp A 61  ? 18.392 3.973   118.393 1   125.558 ? 489 A 1 c
ATOM 962  H  HB2  . SER Axp A 61  ? 16.96  3.345   118.167 1   125.191 ? 489 A 1 c
ATOM 963  H  HG   . SER Axp A 61  ? 17.559 2.857   120.413 0   101.89  ? 489 A 1 c
ATOM 964  N  N    . ASN Axp A 62  ? 15.286 6.383   119.941 1   107.271 ? 490 A 1 .
ATOM 965  C  CA   . ASN Axp A 62  ? 13.952 6.669   120.44  1   113.986 ? 490 A 1 .
ATOM 966  C  C    . ASN Axp A 62  ? 13.358 7.892   119.738 1   118.813 ? 490 A 1 .
ATOM 967  O  O    . ASN Axp A 62  ? 13.175 8.95    120.349 1   104.838 ? 490 A 1 .
ATOM 968  C  CB   . ASN Axp A 62  ? 13.96  6.829   121.954 1   124.507 ? 490 A 1 .
ATOM 969  C  CG   . ASN Axp A 62  ? 12.563 7.012   122.497 1   118.399 ? 490 A 1 .
ATOM 970  O  OD1  . ASN Axp A 62  ? 11.636 6.337   122.032 1   111.51  ? 490 A 1 .
ATOM 971  N  ND2  . ASN Axp A 62  ? 12.388 7.927   123.443 1   110.176 ? 490 A 1 .
ATOM 972  H  H    . ASN Axp A 62  ? 16.002 6.769   120.356 1   109.393 ? 490 A 1 c
ATOM 973  H  HA   . ASN Axp A 62  ? 13.38  5.895   120.235 1   115.313 ? 490 A 1 c
ATOM 974  H  HB3  . ASN Axp A 62  ? 14.505 7.604   122.194 1   120.265 ? 490 A 1 c
ATOM 975  H  HB2  . ASN Axp A 62  ? 14.363 6.036   122.361 1   120.564 ? 490 A 1 c
ATOM 976  H  HD21 . ASN Axp A 62  ? 11.636 8.395   123.469 1   112.783 ? 490 A 1 c
ATOM 977  H  HD22 . ASN Axp A 62  ? 13.019 8.061   124.051 1   112.655 ? 490 A 1 c
ATOM 978  N  N    . ILE Axp A 63  ? 13.007 7.712   118.456 1   123.334 ? 491 A 1 .
ATOM 979  C  CA   . ILE Axp A 63  ? 12.428 8.777   117.646 1   123.956 ? 491 A 1 .
ATOM 980  C  C    . ILE Axp A 63  ? 10.934 8.874   117.938 1   117.764 ? 491 A 1 .
ATOM 981  O  O    . ILE Axp A 63  ? 10.219 7.922   117.667 1   95.635  ? 491 A 1 .
ATOM 982  C  CB   . ILE Axp A 63  ? 12.62  8.508   116.143 1   124.451 ? 491 A 1 .
ATOM 983  C  CG1  . ILE Axp A 63  ? 14.068 8.132   115.772 1   131.682 ? 491 A 1 .
ATOM 984  C  CG2  . ILE Axp A 63  ? 12.111 9.705   115.339 1   120.825 ? 491 A 1 .
ATOM 985  C  CD1  . ILE Axp A 63  ? 14.259 7.605   114.355 1   117.905 ? 491 A 1 .
ATOM 986  H  H    . ILE Axp A 63  ? 13.113 6.885   118.081 1   122.295 ? 491 A 1 c
ATOM 987  H  HA   . ILE Axp A 63  ? 12.859 9.622   117.875 1   122.497 ? 491 A 1 c
ATOM 988  H  HB   . ILE Axp A 63  ? 12.059 7.742   115.911 1   124.755 ? 491 A 1 c
ATOM 989  H  HG12 . ILE Axp A 63  ? 14.386 7.451   116.399 1   126.675 ? 491 A 1 c
ATOM 990  H  HG13 . ILE Axp A 63  ? 14.628 8.922   115.887 1   126.609 ? 491 A 1 c
ATOM 991  H  HG21 . ILE Axp A 63  ? 12.568 9.746   114.484 1   121.876 ? 491 A 1 c
ATOM 992  H  HG22 . ILE Axp A 63  ? 12.28  10.525  115.832 1   121.758 ? 491 A 1 c
ATOM 993  H  HG23 . ILE Axp A 63  ? 11.155 9.612   115.187 1   121.837 ? 491 A 1 c
ATOM 994  H  HD11 . ILE Axp A 63  ? 13.654 6.856   114.205 1   121.358 ? 491 A 1 c
ATOM 995  H  HD12 . ILE Axp A 63  ? 15.181 7.303   114.242 1   121.35  ? 491 A 1 c
ATOM 996  H  HD13 . ILE Axp A 63  ? 14.069 8.31    113.708 1   121.619 ? 491 A 1 c
ATOM 997  N  N    . VAL Axp A 64  ? 10.458 10.036  118.405 1   122.914 ? 492 A 1 .
ATOM 998  C  CA   . VAL Axp A 64  ? 9.096  10.163  118.913 1   111.326 ? 492 A 1 .
ATOM 999  C  C    . VAL Axp A 64  ? 8.202  11.068  118.06  1   112.339 ? 492 A 1 .
ATOM 1000 O  O    . VAL Axp A 64  ? 6.986  10.974  118.161 1   124.078 ? 492 A 1 .
ATOM 1001 C  CB   . VAL Axp A 64  ? 9.152  10.686  120.358 1   125.202 ? 492 A 1 .
ATOM 1002 C  CG1  . VAL Axp A 64  ? 9.908  9.723   121.256 1   131.665 ? 492 A 1 .
ATOM 1003 C  CG2  . VAL Axp A 64  ? 9.757  12.087  120.475 1   140.72  ? 492 A 1 .
ATOM 1004 H  H    . VAL Axp A 64  ? 11.001 10.771  118.412 1   118.92  ? 492 A 1 c
ATOM 1005 H  HA   . VAL Axp A 64  ? 8.693  9.273   118.931 1   116.108 ? 492 A 1 c
ATOM 1006 H  HB   . VAL Axp A 64  ? 8.222  10.733  120.685 1   126.289 ? 492 A 1 c
ATOM 1007 H  HG11 . VAL Axp A 64  ? 10.864 9.843   121.13  1   129.613 ? 492 A 1 c
ATOM 1008 H  HG12 . VAL Axp A 64  ? 9.665  8.809   121.032 1   129.494 ? 492 A 1 c
ATOM 1009 H  HG13 . VAL Axp A 64  ? 9.681  9.899   122.185 1   129.656 ? 492 A 1 c
ATOM 1010 H  HG21 . VAL Axp A 64  ? 9.573  12.446  121.359 1   135.993 ? 492 A 1 c
ATOM 1011 H  HG22 . VAL Axp A 64  ? 9.366  12.671  119.804 1   135.648 ? 492 A 1 c
ATOM 1012 H  HG23 . VAL Axp A 64  ? 10.718 12.039  120.34  1   135.548 ? 492 A 1 c
ATOM 1013 N  N    . ASP Axp A 65  ? 8.784  11.968  117.26  1   112.757 ? 493 A 1 .
ATOM 1014 C  CA   . ASP Axp A 65  ? 8.008  12.905  116.466 1   91.663  ? 493 A 1 .
ATOM 1015 C  C    . ASP Axp A 65  ? 8.803  13.363  115.241 1   94.565  ? 493 A 1 .
ATOM 1016 O  O    . ASP Axp A 65  ? 9.97   13.034  115.083 1   80.958  ? 493 A 1 .
ATOM 1017 C  CB   . ASP Axp A 65  ? 7.586  14.108  117.3   1   97.577  ? 493 A 1 .
ATOM 1018 C  CG   . ASP Axp A 65  ? 6.299  13.945  118.089 1   109.88  ? 493 A 1 .
ATOM 1019 O  OD1  . ASP Axp A 65  ? 5.275  13.61   117.475 1   153.037 ? 493 A 1 .
ATOM 1020 O  OD2  . ASP Axp A 65  ? 6.324  14.161  119.311 1   125.455 ? 493 A 1 .
ATOM 1021 H  H    . ASP Axp A 65  ? 9.696  12.003  117.209 1   107.625 ? 493 A 1 c
ATOM 1022 H  HA   . ASP Axp A 65  ? 7.196  12.447  116.152 1   97.608  ? 493 A 1 c
ATOM 1023 H  HB3  . ASP Axp A 65  ? 7.482  14.891  116.721 1   99.041  ? 493 A 1 c
ATOM 1024 H  HB2  . ASP Axp A 65  ? 8.303  14.306  117.938 1   99.071  ? 493 A 1 c
ATOM 1025 N  N    . LEU Axp A 66  ? 8.128  14.136  114.372 1   116.872 ? 494 A 1 .
ATOM 1026 C  CA   . LEU Axp A 66  ? 8.705  14.781  113.201 1   94.73   ? 494 A 1 .
ATOM 1027 C  C    . LEU Axp A 66  ? 8.457  16.265  113.307 1   91.509  ? 494 A 1 .
ATOM 1028 O  O    . LEU Axp A 66  ? 7.334  16.683  113.562 1   121.586 ? 494 A 1 .
ATOM 1029 C  CB   . LEU Axp A 66  ? 8.07   14.322  111.9   1   91.981  ? 494 A 1 .
ATOM 1030 C  CG   . LEU Axp A 66  ? 8.849  13.287  111.091 1   120.526 ? 494 A 1 .
ATOM 1031 C  CD1  . LEU Axp A 66  ? 8.028  12.979  109.833 1   142.704 ? 494 A 1 .
ATOM 1032 C  CD2  . LEU Axp A 66  ? 10.256 13.751  110.738 1   116.724 ? 494 A 1 .
ATOM 1033 H  H    . LEU Axp A 66  ? 7.235  14.259  114.523 1   105.641 ? 494 A 1 c
ATOM 1034 H  HA   . LEU Axp A 66  ? 9.679  14.606  113.182 1   97.625  ? 494 A 1 c
ATOM 1035 H  HB3  . LEU Axp A 66  ? 7.927  15.112  111.33  1   98.519  ? 494 A 1 c
ATOM 1036 H  HB2  . LEU Axp A 66  ? 7.183  13.947  112.108 1   98.8    ? 494 A 1 c
ATOM 1037 H  HG   . LEU Axp A 66  ? 8.919  12.457  111.63  1   117.665 ? 494 A 1 c
ATOM 1038 H  HD11 . LEU Axp A 66  ? 7.144  12.666  110.09  1   135.483 ? 494 A 1 c
ATOM 1039 H  HD12 . LEU Axp A 66  ? 8.475  12.291  109.312 1   135.61  ? 494 A 1 c
ATOM 1040 H  HD13 . LEU Axp A 66  ? 7.941  13.785  109.296 1   135.709 ? 494 A 1 c
ATOM 1041 H  HD21 . LEU Axp A 66  ? 10.867 13.507  111.453 1   117.442 ? 494 A 1 c
ATOM 1042 H  HD22 . LEU Axp A 66  ? 10.261 14.716  110.623 1   117.62  ? 494 A 1 c
ATOM 1043 H  HD23 . LEU Axp A 66  ? 10.541 13.326  109.912 1   117.942 ? 494 A 1 c
ATOM 1044 N  N    . LEU Axp A 67  ? 9.499  17.032  113.032 1   98.234  ? 495 A 1 .
ATOM 1045 C  CA   . LEU Axp A 67  ? 9.327  18.457  112.89  1   108.773 ? 495 A 1 .
ATOM 1046 C  C    . LEU Axp A 67  ? 9.504  18.863  111.43  1   107.512 ? 495 A 1 .
ATOM 1047 O  O    . LEU Axp A 67  ? 10.586 18.682  110.903 1   90.287  ? 495 A 1 .
ATOM 1048 C  CB   . LEU Axp A 67  ? 10.338 19.191  113.757 1   98.244  ? 495 A 1 .
ATOM 1049 C  CG   . LEU Axp A 67  ? 10.125 20.698  113.66  1   104.552 ? 495 A 1 .
ATOM 1050 C  CD1  . LEU Axp A 67  ? 8.702  20.99   114.178 1   92.694  ? 495 A 1 .
ATOM 1051 C  CD2  . LEU Axp A 67  ? 11.215 21.487  114.347 1   111.092 ? 495 A 1 .
ATOM 1052 H  H    . LEU Axp A 67  ? 10.332 16.669  112.932 1   98.803  ? 495 A 1 c
ATOM 1053 H  HA   . LEU Axp A 67  ? 8.412  18.695  113.179 1   104.299 ? 495 A 1 c
ATOM 1054 H  HB3  . LEU Axp A 67  ? 11.246 18.972  113.444 1   101.949 ? 495 A 1 c
ATOM 1055 H  HB2  . LEU Axp A 67  ? 10.222 18.907  114.693 1   101.931 ? 495 A 1 c
ATOM 1056 H  HG   . LEU Axp A 67  ? 10.147 20.948  112.701 1   102.289 ? 495 A 1 c
ATOM 1057 H  HD11 . LEU Axp A 67  ? 8.071  20.943  113.441 1   96.177  ? 495 A 1 c
ATOM 1058 H  HD12 . LEU Axp A 67  ? 8.676  21.88   114.567 1   96.153  ? 495 A 1 c
ATOM 1059 H  HD13 . LEU Axp A 67  ? 8.458  20.336  114.855 1   96.213  ? 495 A 1 c
ATOM 1060 H  HD21 . LEU Axp A 67  ? 12.082 21.109  114.122 1   109.048 ? 495 A 1 c
ATOM 1061 H  HD22 . LEU Axp A 67  ? 11.086 21.45   115.309 1   109.052 ? 495 A 1 c
ATOM 1062 H  HD23 . LEU Axp A 67  ? 11.181 22.413  114.052 1   109.086 ? 495 A 1 c
ATOM 1063 N  N    . PHE Axp A 68  ? 8.481  19.471  110.816 1   104.68  ? 496 A 1 .
ATOM 1064 C  CA   . PHE Axp A 68  ? 8.649  20.115  109.527 1   104.946 ? 496 A 1 .
ATOM 1065 C  C    . PHE Axp A 68  ? 9.093  21.55   109.771 1   93.484  ? 496 A 1 .
ATOM 1066 O  O    . PHE Axp A 68  ? 8.575  22.21   110.657 1   82.296  ? 496 A 1 .
ATOM 1067 C  CB   . PHE Axp A 68  ? 7.325  20.084  108.767 1   135.506 ? 496 A 1 .
ATOM 1068 C  CG   . PHE Axp A 68  ? 6.868  18.702  108.334 1   129.397 ? 496 A 1 .
ATOM 1069 C  CD1  . PHE Axp A 68  ? 6.364  17.791  109.245 1   116.974 ? 496 A 1 .
ATOM 1070 C  CD2  . PHE Axp A 68  ? 6.901  18.339  106.999 1   131.403 ? 496 A 1 .
ATOM 1071 C  CE1  . PHE Axp A 68  ? 5.945  16.538  108.833 1   127.889 ? 496 A 1 .
ATOM 1072 C  CE2  . PHE Axp A 68  ? 6.475  17.087  106.592 1   144.498 ? 496 A 1 .
ATOM 1073 C  CZ   . PHE Axp A 68  ? 6.011  16.184  107.512 1   145.913 ? 496 A 1 .
ATOM 1074 H  H    . PHE Axp A 68  ? 7.661  19.492  111.218 1   105.872 ? 496 A 1 c
ATOM 1075 H  HA   . PHE Axp A 68  ? 9.343  19.634  109.002 1   107.405 ? 496 A 1 c
ATOM 1076 H  HB3  . PHE Axp A 68  ? 7.413  20.652  107.969 1   126.328 ? 496 A 1 c
ATOM 1077 H  HB2  . PHE Axp A 68  ? 6.63   20.481  109.336 1   126.379 ? 496 A 1 c
ATOM 1078 H  HD1  . PHE Axp A 68  ? 6.33   18.017  110.16  1   122.454 ? 496 A 1 c
ATOM 1079 H  HD2  . PHE Axp A 68  ? 7.231  18.95   106.359 1   133.795 ? 496 A 1 c
ATOM 1080 H  HE1  . PHE Axp A 68  ? 5.624  15.92   109.467 1   129.478 ? 496 A 1 c
ATOM 1081 H  HE2  . PHE Axp A 68  ? 6.52   16.849  105.68  1   141.325 ? 496 A 1 c
ATOM 1082 H  HZ   . PHE Axp A 68  ? 5.717  15.333  107.234 1   140.798 ? 496 A 1 c
ATOM 1083 N  N    . VAL Axp A 69  ? 10.042 22.034  108.976 1   100.271 ? 497 A 1 .
ATOM 1084 C  CA   . VAL Axp A 69  ? 10.673 23.322  109.221 1   98.525  ? 497 A 1 .
ATOM 1085 C  C    . VAL Axp A 69  ? 9.667  24.447  108.969 1   96.768  ? 497 A 1 .
ATOM 1086 O  O    . VAL Axp A 69  ? 9.78   25.504  109.585 1   97.682  ? 497 A 1 .
ATOM 1087 C  CB   . VAL Axp A 69  ? 11.945 23.437  108.356 1   99.41   ? 497 A 1 .
ATOM 1088 C  CG1  . VAL Axp A 69  ? 11.641 23.544  106.86  1   123.661 ? 497 A 1 .
ATOM 1089 C  CG2  . VAL Axp A 69  ? 12.865 24.56   108.796 1   89.056  ? 497 A 1 .
ATOM 1090 H  H    . VAL Axp A 69  ? 10.311 21.542  108.254 1   98.623  ? 497 A 1 c
ATOM 1091 H  HA   . VAL Axp A 69  ? 10.939 23.355  110.161 1   98.538  ? 497 A 1 c
ATOM 1092 H  HB   . VAL Axp A 69  ? 12.446 22.598  108.482 1   101.248 ? 497 A 1 c
ATOM 1093 H  HG11 . VAL Axp A 69  ? 11.424 24.465  106.637 1   115.607 ? 497 A 1 c
ATOM 1094 H  HG12 . VAL Axp A 69  ? 10.887 22.973  106.637 1   115.531 ? 497 A 1 c
ATOM 1095 H  HG13 . VAL Axp A 69  ? 12.419 23.263  106.35  1   115.815 ? 497 A 1 c
ATOM 1096 H  HG21 . VAL Axp A 69  ? 13.721 24.474  108.345 1   92.048  ? 497 A 1 c
ATOM 1097 H  HG22 . VAL Axp A 69  ? 13     24.51   109.758 1   92.08   ? 497 A 1 c
ATOM 1098 H  HG23 . VAL Axp A 69  ? 12.464 25.416  108.57  1   92.157  ? 497 A 1 c
ATOM 1099 N  N    . LYS Axp A 70  ? 8.687  24.191  108.085 1   94.277  ? 498 A 1 .
ATOM 1100 C  CA   . LYS Axp A 70  ? 7.542  25.061  107.859 1   97.686  ? 498 A 1 .
ATOM 1101 C  C    . LYS Axp A 70  ? 6.929  25.545  109.17  1   106.017 ? 498 A 1 .
ATOM 1102 O  O    . LYS Axp A 70  ? 6.447  26.68   109.236 1   90.871  ? 498 A 1 .
ATOM 1103 C  CB   . LYS Axp A 70  ? 6.362  24.278  107.282 1   106.454 ? 498 A 1 .
ATOM 1104 C  CG   . LYS Axp A 70  ? 6.122  24.221  105.805 1   126.432 ? 498 A 1 .
ATOM 1105 C  CD   . LYS Axp A 70  ? 4.897  23.358  105.523 1   130.544 ? 498 A 1 .
ATOM 1106 C  CE   . LYS Axp A 70  ? 5.175  21.89   105.701 1   127.655 ? 498 A 1 .
ATOM 1107 N  NZ   . LYS Axp A 70  ? 3.977  21.16   106.145 1   136.377 ? 498 A 1 .
ATOM 1108 H  H    . LYS Axp A 70  ? 8.751  23.432  107.58  1   95.973  ? 498 A 1 c
ATOM 1109 H  HA   . LYS Axp A 70  ? 7.804  25.826  107.29  1   99.984  ? 498 A 1 c
ATOM 1110 H  HB3  . LYS Axp A 70  ? 5.546  24.64   107.69  1   108.845 ? 498 A 1 c
ATOM 1111 H  HB2  . LYS Axp A 70  ? 6.448  23.355  107.602 1   108.863 ? 498 A 1 c
ATOM 1112 H  HG3  . LYS Axp A 70  ? 6.91   23.835  105.362 1   122.367 ? 498 A 1 c
ATOM 1113 H  HG2  . LYS Axp A 70  ? 5.976  25.129  105.463 1   122.366 ? 498 A 1 c
ATOM 1114 H  HD3  . LYS Axp A 70  ? 4.599  23.518  104.601 1   128.893 ? 498 A 1 c
ATOM 1115 H  HD2  . LYS Axp A 70  ? 4.17   23.624  106.127 1   128.723 ? 498 A 1 c
ATOM 1116 H  HE3  . LYS Axp A 70  ? 5.885  21.753  106.351 1   129.982 ? 498 A 1 c
ATOM 1117 H  HE2  . LYS Axp A 70  ? 5.472  21.517  104.852 1   130.26  ? 498 A 1 c
ATOM 1118 H  HZ1  . LYS Axp A 70  ? 3.293  21.316  105.571 1   133.605 ? 498 A 1 c
ATOM 1119 H  HZ2  . LYS Axp A 70  ? 3.738  21.436  106.974 1   133.593 ? 498 A 1 c
ATOM 1120 H  HZ3  . LYS Axp A 70  ? 4.151  20.271  106.166 1   133.619 ? 498 A 1 c
ATOM 1121 N  N    . ASP Axp A 71  ? 6.902  24.634  110.163 1   100.791 ? 499 A 1 .
ATOM 1122 C  CA   . ASP Axp A 71  ? 6.18   24.79   111.414 1   99.053  ? 499 A 1 .
ATOM 1123 C  C    . ASP Axp A 71  ? 6.831  25.861  112.285 1   105.304 ? 499 A 1 .
ATOM 1124 O  O    . ASP Axp A 71  ? 6.292  26.199  113.331 1   109.168 ? 499 A 1 .
ATOM 1125 C  CB   . ASP Axp A 71  ? 6.114  23.45   112.127 1   115.566 ? 499 A 1 .
ATOM 1126 C  CG   . ASP Axp A 71  ? 5.546  22.286  111.314 1   131.022 ? 499 A 1 .
ATOM 1127 O  OD1  . ASP Axp A 71  ? 4.778  22.547  110.356 1   115.288 ? 499 A 1 .
ATOM 1128 O  OD2  . ASP Axp A 71  ? 5.869  21.118  111.647 1   136.749 ? 499 A 1 .
ATOM 1129 H  H    . ASP Axp A 71  ? 7.364  23.857  110.039 1   101.687 ? 499 A 1 c
ATOM 1130 H  HA   . ASP Axp A 71  ? 5.261  25.071  111.206 1   103.474 ? 499 A 1 c
ATOM 1131 H  HB3  . ASP Axp A 71  ? 5.561  23.555  112.929 1   114.793 ? 499 A 1 c
ATOM 1132 H  HB2  . ASP Axp A 71  ? 7.016  23.207  112.422 1   114.581 ? 499 A 1 c
ATOM 1133 N  N    . LEU Axp A 72  ? 7.997  26.381  111.872 1   108.588 ? 500 A 1 .
ATOM 1134 C  CA   . LEU Axp A 72  ? 8.674  27.448  112.599 1   101.617 ? 500 A 1 .
ATOM 1135 C  C    . LEU Axp A 72  ? 8.207  28.805  112.089 1   104.23  ? 500 A 1 .
ATOM 1136 O  O    . LEU Axp A 72  ? 8.689  29.839  112.554 1   101.176 ? 500 A 1 .
ATOM 1137 C  CB   . LEU Axp A 72  ? 10.185 27.297  112.445 1   90.405  ? 500 A 1 .
ATOM 1138 C  CG   . LEU Axp A 72  ? 10.758 25.94   112.865 1   92.298  ? 500 A 1 .
ATOM 1139 C  CD1  . LEU Axp A 72  ? 12.247 25.959  112.685 1   104.267 ? 500 A 1 .
ATOM 1140 C  CD2  . LEU Axp A 72  ? 10.436 25.589  114.296 1   90.349  ? 500 A 1 .
ATOM 1141 H  H    . LEU Axp A 72  ? 8.399  26.045  111.123 1   105.987 ? 500 A 1 c
ATOM 1142 H  HA   . LEU Axp A 72  ? 8.438  27.374  113.557 1   101.111 ? 500 A 1 c
ATOM 1143 H  HB3  . LEU Axp A 72  ? 10.622 28      112.976 1   93.571  ? 500 A 1 c
ATOM 1144 H  HB2  . LEU Axp A 72  ? 10.409 27.437  111.499 1   93.807  ? 500 A 1 c
ATOM 1145 H  HG   . LEU Axp A 72  ? 10.378 25.24   112.274 1   93.782  ? 500 A 1 c
ATOM 1146 H  HD11 . LEU Axp A 72  ? 12.461 26.238  111.778 1   100.409 ? 500 A 1 c
ATOM 1147 H  HD12 . LEU Axp A 72  ? 12.604 25.069  112.841 1   100.44  ? 500 A 1 c
ATOM 1148 H  HD13 . LEU Axp A 72  ? 12.643 26.582  113.316 1   100.491 ? 500 A 1 c
ATOM 1149 H  HD21 . LEU Axp A 72  ? 9.491  25.378  114.375 1   91.068  ? 500 A 1 c
ATOM 1150 H  HD22 . LEU Axp A 72  ? 10.648 26.344  114.872 1   90.983  ? 500 A 1 c
ATOM 1151 H  HD23 . LEU Axp A 72  ? 10.963 24.819  114.568 1   91.085  ? 500 A 1 c
ATOM 1152 N  N    . ALA Axp A 73  ? 7.277  28.772  111.125 1   115.326 ? 501 A 1 .
ATOM 1153 C  CA   . ALA Axp A 73  ? 6.852  29.954  110.393 1   125.507 ? 501 A 1 .
ATOM 1154 C  C    . ALA Axp A 73  ? 6.296  30.991  111.36  1   119.434 ? 501 A 1 .
ATOM 1155 O  O    . ALA Axp A 73  ? 6.672  32.172  111.298 1   100.85  ? 501 A 1 .
ATOM 1156 C  CB   . ALA Axp A 73  ? 5.826  29.57   109.34  1   115.734 ? 501 A 1 .
ATOM 1157 H  H    . ALA Axp A 73  ? 6.888  27.974  110.912 1   114.584 ? 501 A 1 c
ATOM 1158 H  HA   . ALA Axp A 73  ? 7.651  30.345  109.944 1   120.439 ? 501 A 1 c
ATOM 1159 H  HB3  . ALA Axp A 73  ? 5.364  30.367  109.028 1   118.426 ? 501 A 1 c
ATOM 1160 H  HB2  . ALA Axp A 73  ? 5.179  28.953  109.721 1   118.266 ? 501 A 1 c
ATOM 1161 H  HB1  . ALA Axp A 73  ? 6.272  29.145  108.588 1   118.207 ? 501 A 1 c
ATOM 1162 N  N    . PHE Axp A 74  ? 5.435  30.506  112.265 1   104.765 ? 502 A 1 .
ATOM 1163 C  CA   . PHE Axp A 74  ? 4.748  31.39   113.185 1   125.992 ? 502 A 1 .
ATOM 1164 C  C    . PHE Axp A 74  ? 5.391  31.361  114.569 1   120.805 ? 502 A 1 .
ATOM 1165 O  O    . PHE Axp A 74  ? 4.836  31.897  115.522 1   117.321 ? 502 A 1 .
ATOM 1166 C  CB   . PHE Axp A 74  ? 3.271  31.004  113.168 1   123.05  ? 502 A 1 .
ATOM 1167 C  CG   . PHE Axp A 74  ? 2.565  31.489  111.912 1   110.852 ? 502 A 1 .
ATOM 1168 C  CD1  . PHE Axp A 74  ? 2.236  32.836  111.739 1   133.418 ? 502 A 1 .
ATOM 1169 C  CD2  . PHE Axp A 74  ? 2.236  30.592  110.911 1   92.952  ? 502 A 1 .
ATOM 1170 C  CE1  . PHE Axp A 74  ? 1.58   33.272  110.592 1   153.957 ? 502 A 1 .
ATOM 1171 C  CE2  . PHE Axp A 74  ? 1.561  31.023  109.777 1   116.576 ? 502 A 1 .
ATOM 1172 C  CZ   . PHE Axp A 74  ? 1.247  32.363  109.61  1   147.851 ? 502 A 1 .
ATOM 1173 H  H    . PHE Axp A 74  ? 5.272  29.608  112.306 1   112.907 ? 502 A 1 c
ATOM 1174 H  HA   . PHE Axp A 74  ? 4.823  32.317  112.835 1   119.953 ? 502 A 1 c
ATOM 1175 H  HB3  . PHE Axp A 74  ? 2.831  31.396  113.955 1   120.696 ? 502 A 1 c
ATOM 1176 H  HB2  . PHE Axp A 74  ? 3.196  30.026  113.226 1   120.345 ? 502 A 1 c
ATOM 1177 H  HD1  . PHE Axp A 74  ? 2.46   33.458  112.413 1   131.907 ? 502 A 1 c
ATOM 1178 H  HD2  . PHE Axp A 74  ? 2.439  29.676  111.019 1   103.016 ? 502 A 1 c
ATOM 1179 H  HE1  . PHE Axp A 74  ? 1.363  34.185  110.489 1   146.605 ? 502 A 1 c
ATOM 1180 H  HE2  . PHE Axp A 74  ? 1.344  30.403  109.099 1   117.2   ? 502 A 1 c
ATOM 1181 H  HZ   . PHE Axp A 74  ? 0.804  32.652  108.828 1   140.528 ? 502 A 1 c
ATOM 1182 N  N    . VAL Axp A 75  ? 6.584  30.783  114.673 1   114.123 ? 503 A 1 .
ATOM 1183 C  CA   . VAL Axp A 75  ? 7.258  30.719  115.952 1   102.138 ? 503 A 1 .
ATOM 1184 C  C    . VAL Axp A 75  ? 8.131  31.958  116.091 1   98.709  ? 503 A 1 .
ATOM 1185 O  O    . VAL Axp A 75  ? 8.922  32.26   115.198 1   91.311  ? 503 A 1 .
ATOM 1186 C  CB   . VAL Axp A 75  ? 8.073  29.419  116.098 1   101.06  ? 503 A 1 .
ATOM 1187 C  CG1  . VAL Axp A 75  ? 8.769  29.336  117.451 1   105.417 ? 503 A 1 .
ATOM 1188 C  CG2  . VAL Axp A 75  ? 7.203  28.189  115.888 1   93.355  ? 503 A 1 .
ATOM 1189 H  H    . VAL Axp A 75  ? 6.991  30.426  113.939 1   112.81  ? 503 A 1 c
ATOM 1190 H  HA   . VAL Axp A 75  ? 6.582  30.734  116.657 1   103.788 ? 503 A 1 c
ATOM 1191 H  HB   . VAL Axp A 75  ? 8.766  29.428  115.398 1   100.557 ? 503 A 1 c
ATOM 1192 H  HG11 . VAL Axp A 75  ? 8.133  29.546  118.157 1   104.093 ? 503 A 1 c
ATOM 1193 H  HG12 . VAL Axp A 75  ? 9.504  29.97   117.48  1   104.125 ? 503 A 1 c
ATOM 1194 H  HG13 . VAL Axp A 75  ? 9.113  28.437  117.585 1   103.997 ? 503 A 1 c
ATOM 1195 H  HG21 . VAL Axp A 75  ? 7.751  27.389  115.953 1   95.669  ? 503 A 1 c
ATOM 1196 H  HG22 . VAL Axp A 75  ? 6.792  28.227  115.009 1   95.781  ? 503 A 1 c
ATOM 1197 H  HG23 . VAL Axp A 75  ? 6.509  28.162  116.568 1   95.627  ? 503 A 1 c
ATOM 1198 N  N    . ASP Axp A 76  ? 7.99   32.638  117.239 1   116.328 ? 504 A 1 .
ATOM 1199 C  CA   . ASP Axp A 76  ? 8.88   33.729  117.622 1   100.449 ? 504 A 1 .
ATOM 1200 C  C    . ASP Axp A 76  ? 10.055 33.192  118.433 1   89.154  ? 504 A 1 .
ATOM 1201 O  O    . ASP Axp A 76  ? 9.874  32.598  119.485 1   86.047  ? 504 A 1 .
ATOM 1202 C  CB   . ASP Axp A 76  ? 8.143  34.812  118.389 1   88.333  ? 504 A 1 .
ATOM 1203 C  CG   . ASP Axp A 76  ? 8.87   36.135  118.528 1   98.695  ? 504 A 1 .
ATOM 1204 O  OD1  . ASP Axp A 76  ? 10.092 36.16   118.274 1   118.475 ? 504 A 1 .
ATOM 1205 O  OD2  . ASP Axp A 76  ? 8.203  37.139  118.882 1   150.423 ? 504 A 1 .
ATOM 1206 H  H    . ASP Axp A 76  ? 7.309  32.413  117.807 1   108.137 ? 504 A 1 c
ATOM 1207 H  HA   . ASP Axp A 76  ? 9.224  34.14   116.804 1   99.275  ? 504 A 1 c
ATOM 1208 H  HB3  . ASP Axp A 76  ? 7.961  34.475  119.288 1   93.696  ? 504 A 1 c
ATOM 1209 H  HB2  . ASP Axp A 76  ? 7.283  34.98   117.949 1   93.387  ? 504 A 1 c
ATOM 1210 N  N    . PRO Axp A 77  ? 11.306 33.398  117.982 1   106.085 ? 505 A 1 .
ATOM 1211 C  CA   . PRO Axp A 77  ? 12.473 33.04   118.78  1   129.088 ? 505 A 1 .
ATOM 1212 C  C    . PRO Axp A 77  ? 12.615 33.812  120.094 1   134.313 ? 505 A 1 .
ATOM 1213 O  O    . PRO Axp A 77  ? 13.1   33.24   121.066 1   131.136 ? 505 A 1 .
ATOM 1214 C  CB   . PRO Axp A 77  ? 13.646 33.332  117.85  1   143.885 ? 505 A 1 .
ATOM 1215 C  CG   . PRO Axp A 77  ? 13.102 34.383  116.901 1   147.984 ? 505 A 1 .
ATOM 1216 C  CD   . PRO Axp A 77  ? 11.673 33.991  116.688 1   132.9   ? 505 A 1 .
ATOM 1217 H  HA   . PRO Axp A 77  ? 12.447 32.08   118.972 1   127.395 ? 505 A 1 c
ATOM 1218 H  HB3  . PRO Axp A 77  ? 13.915 32.528  117.365 1   141.302 ? 505 A 1 c
ATOM 1219 H  HB2  . PRO Axp A 77  ? 14.413 33.674  118.349 1   141.271 ? 505 A 1 c
ATOM 1220 H  HG3  . PRO Axp A 77  ? 13.591 34.376  116.054 1   143.444 ? 505 A 1 c
ATOM 1221 H  HG2  . PRO Axp A 77  ? 13.161 35.276  117.295 1   143.338 ? 505 A 1 c
ATOM 1222 H  HD3  . PRO Axp A 77  ? 11.122 34.769  116.487 1   128.685 ? 505 A 1 c
ATOM 1223 H  HD2  . PRO Axp A 77  ? 11.585 33.336  115.968 1   129.084 ? 505 A 1 c
ATOM 1224 N  N    . ASP Axp A 78  ? 12.239 35.109  120.109 1   131.506 ? 506 A 1 .
ATOM 1225 C  CA   . ASP Axp A 78  ? 12.177 35.9    121.33  1   103.63  ? 506 A 1 .
ATOM 1226 C  C    . ASP Axp A 78  ? 11.336 35.164  122.383 1   93.961  ? 506 A 1 .
ATOM 1227 O  O    . ASP Axp A 78  ? 11.571 35.359  123.57  1   138.031 ? 506 A 1 .
ATOM 1228 C  CB   . ASP Axp A 78  ? 11.631 37.315  121.121 1   114.048 ? 506 A 1 .
ATOM 1229 C  CG   . ASP Axp A 78  ? 12.418 38.342  120.301 1   118.278 ? 506 A 1 .
ATOM 1230 O  OD1  . ASP Axp A 78  ? 13.688 38.354  120.413 1   89.229  ? 506 A 1 .
ATOM 1231 O  OD2  . ASP Axp A 78  ? 11.732 39.213  119.64  1   101.276 ? 506 A 1 .
ATOM 1232 H  H    . ASP Axp A 78  ? 12.017 35.513  119.32  1   125.272 ? 506 A 1 c
ATOM 1233 H  HA   . ASP Axp A 78  ? 13.093 35.991  121.678 1   108.546 ? 506 A 1 c
ATOM 1234 H  HB3  . ASP Axp A 78  ? 11.488 37.709  122.007 1   112.388 ? 506 A 1 c
ATOM 1235 H  HB2  . ASP Axp A 78  ? 10.75  37.228  120.701 1   112.416 ? 506 A 1 c
ATOM 1236 N  N    . ASP Axp A 79  ? 10.354 34.344  121.982 1   92.422  ? 507 A 1 .
ATOM 1237 C  CA   . ASP Axp A 79  ? 9.442  33.705  122.92  1   110.652 ? 507 A 1 .
ATOM 1238 C  C    . ASP Axp A 79  ? 10.052 32.475  123.572 1   115.953 ? 507 A 1 .
ATOM 1239 O  O    . ASP Axp A 79  ? 9.528  32.02   124.581 1   136.887 ? 507 A 1 .
ATOM 1240 C  CB   . ASP Axp A 79  ? 8.133  33.269  122.285 1   117.129 ? 507 A 1 .
ATOM 1241 C  CG   . ASP Axp A 79  ? 7.176  34.404  121.963 1   128.972 ? 507 A 1 .
ATOM 1242 O  OD1  . ASP Axp A 79  ? 7.286  35.474  122.61  1   109.321 ? 507 A 1 .
ATOM 1243 O  OD2  . ASP Axp A 79  ? 6.372  34.228  121.026 1   146.789 ? 507 A 1 .
ATOM 1244 H  H    . ASP Axp A 79  ? 10.233 34.194  121.089 1   97.324  ? 507 A 1 c
ATOM 1245 H  HA   . ASP Axp A 79  ? 9.227  34.352  123.629 1   109.06  ? 507 A 1 c
ATOM 1246 H  HB3  . ASP Axp A 79  ? 7.669  32.653  122.889 1   118.269 ? 507 A 1 c
ATOM 1247 H  HB2  . ASP Axp A 79  ? 8.325  32.785  121.456 1   118.017 ? 507 A 1 c
ATOM 1248 N  N    . CYS Axp A 80  ? 11.108 31.915  122.979 1   111.819 ? 508 A 1 .
ATOM 1249 C  CA   . CYS Axp A 80  ? 11.733 30.724  123.535 1   124.179 ? 508 A 1 .
ATOM 1250 C  C    . CYS Axp A 80  ? 10.709 29.611  123.761 1   125.529 ? 508 A 1 .
ATOM 1251 O  O    . CYS Axp A 80  ? 10.754 28.961  124.804 1   93.271  ? 508 A 1 .
ATOM 1252 C  CB   . CYS Axp A 80  ? 12.486 31.015  124.83  1   108.247 ? 508 A 1 .
ATOM 1253 S  SG   . CYS Axp A 80  ? 13.933 32.071  124.558 1   140.041 ? 508 A 1 .
ATOM 1254 H  H    . CYS Axp A 80  ? 11.444 32.273  122.209 1   115.221 ? 508 A 1 c
ATOM 1255 H  HA   . CYS Axp A 80  ? 12.395 30.399  122.873 1   118.946 ? 508 A 1 c
ATOM 1256 H  HB3  . CYS Axp A 80  ? 12.786 30.172  125.233 1   117.486 ? 508 A 1 c
ATOM 1257 H  HB2  . CYS Axp A 80  ? 11.885 31.461  125.467 1   117.531 ? 508 A 1 c
ATOM 1258 H  HG   . CYS Axp A 80  ? 14.22  32.106  125.68  0   117.97  ? 508 A 1 c
ATOM 1259 N  N    . THR Axp A 81  ? 9.863  29.362  122.741 1   128.78  ? 509 A 1 .
ATOM 1260 C  CA   . THR Axp A 81  ? 8.831  28.335  122.775 1   111.253 ? 509 A 1 .
ATOM 1261 C  C    . THR Axp A 81  ? 9.448  26.941  122.705 1   107.379 ? 509 A 1 .
ATOM 1262 O  O    . THR Axp A 81  ? 10.222 26.645  121.806 1   149.227 ? 509 A 1 .
ATOM 1263 C  CB   . THR Axp A 81  ? 7.889  28.505  121.59  1   110.691 ? 509 A 1 .
ATOM 1264 O  OG1  . THR Axp A 81  ? 7.517  29.88   121.59  1   137.924 ? 509 A 1 .
ATOM 1265 C  CG2  . THR Axp A 81  ? 6.705  27.558  121.684 1   89.601  ? 509 A 1 .
ATOM 1266 H  H    . THR Axp A 81  ? 9.945  29.862  121.98  1   123.649 ? 509 A 1 c
ATOM 1267 H  HA   . THR Axp A 81  ? 8.319  28.43   123.604 1   113.358 ? 509 A 1 c
ATOM 1268 H  HB   . THR Axp A 81  ? 8.38   28.307  120.757 1   111.362 ? 509 A 1 c
ATOM 1269 H  HG1  . THR Axp A 81  ? 6.868  30.081  122.267 0   118.27  ? 509 A 1 c
ATOM 1270 H  HG21 . THR Axp A 81  ? 5.944  27.944  121.22  1   95.449  ? 509 A 1 c
ATOM 1271 H  HG22 . THR Axp A 81  ? 6.475  27.414  122.617 1   95.601  ? 509 A 1 c
ATOM 1272 H  HG23 . THR Axp A 81  ? 6.936  26.708  121.273 1   95.487  ? 509 A 1 c
ATOM 1273 N  N    . PRO Axp A 82  ? 9.11   26.033  123.635 1   94.023  ? 510 A 1 .
ATOM 1274 C  CA   . PRO Axp A 82  ? 9.523  24.633  123.577 1   103.343 ? 510 A 1 .
ATOM 1275 C  C    . PRO Axp A 82  ? 8.983  23.837  122.394 1   99.965  ? 510 A 1 .
ATOM 1276 O  O    . PRO Axp A 82  ? 7.882  24.076  121.924 1   101.429 ? 510 A 1 .
ATOM 1277 C  CB   . PRO Axp A 82  ? 8.952  24.015  124.849 1   101.431 ? 510 A 1 .
ATOM 1278 C  CG   . PRO Axp A 82  ? 8.872  25.226  125.747 1   119.142 ? 510 A 1 .
ATOM 1279 C  CD   . PRO Axp A 82  ? 8.391  26.339  124.867 1   112.881 ? 510 A 1 .
ATOM 1280 H  HA   . PRO Axp A 82  ? 10.5   24.581  123.593 1   100.445 ? 510 A 1 c
ATOM 1281 H  HB3  . PRO Axp A 82  ? 9.553  23.338  125.217 1   105.639 ? 510 A 1 c
ATOM 1282 H  HB2  . PRO Axp A 82  ? 8.068  23.629  124.693 1   105.612 ? 510 A 1 c
ATOM 1283 H  HG3  . PRO Axp A 82  ? 9.75   25.44   126.121 1   113.468 ? 510 A 1 c
ATOM 1284 H  HG2  . PRO Axp A 82  ? 8.245  25.074  126.482 1   113.468 ? 510 A 1 c
ATOM 1285 H  HD3  . PRO Axp A 82  ? 7.424  26.305  124.731 1   109.471 ? 510 A 1 c
ATOM 1286 H  HD2  . PRO Axp A 82  ? 8.646  27.212  125.222 1   109.517 ? 510 A 1 c
ATOM 1287 N  N    . LEU Axp A 83  ? 9.761  22.846  121.968 1   86.888  ? 511 A 1 .
ATOM 1288 C  CA   . LEU Axp A 83  ? 9.446  22.053  120.806 1   102.825 ? 511 A 1 .
ATOM 1289 C  C    . LEU Axp A 83  ? 8.162  21.259  121.011 1   116.402 ? 511 A 1 .
ATOM 1290 O  O    . LEU Axp A 83  ? 7.409  21.091  120.053 1   142.54  ? 511 A 1 .
ATOM 1291 C  CB   . LEU Axp A 83  ? 10.629 21.122  120.566 1   118.746 ? 511 A 1 .
ATOM 1292 C  CG   . LEU Axp A 83  ? 10.509 20.166  119.374 1   102.545 ? 511 A 1 .
ATOM 1293 C  CD1  . LEU Axp A 83  ? 10.325 21.005  118.127 1   103.173 ? 511 A 1 .
ATOM 1294 C  CD2  . LEU Axp A 83  ? 11.719 19.261  119.257 1   86.29   ? 511 A 1 .
ATOM 1295 H  H    . LEU Axp A 83  ? 10.526 22.656  122.431 1   93.871  ? 511 A 1 c
ATOM 1296 H  HA   . LEU Axp A 83  ? 9.335  22.659  120.03  1   104.424 ? 511 A 1 c
ATOM 1297 H  HB3  . LEU Axp A 83  ? 10.765 20.584  121.38  1   110.961 ? 511 A 1 c
ATOM 1298 H  HB2  . LEU Axp A 83  ? 11.434 21.675  120.44  1   110.883 ? 511 A 1 c
ATOM 1299 H  HG   . LEU Axp A 83  ? 9.705  19.601  119.5   1   102.489 ? 511 A 1 c
ATOM 1300 H  HD11 . LEU Axp A 83  ? 9.409  21.329  118.085 1   103.045 ? 511 A 1 c
ATOM 1301 H  HD12 . LEU Axp A 83  ? 10.512 20.464  117.342 1   102.988 ? 511 A 1 c
ATOM 1302 H  HD13 . LEU Axp A 83  ? 10.934 21.762  118.149 1   103.247 ? 511 A 1 c
ATOM 1303 H  HD21 . LEU Axp A 83  ? 11.831 18.759  120.082 1   90.822  ? 511 A 1 c
ATOM 1304 H  HD22 . LEU Axp A 83  ? 12.513 19.799  119.097 1   90.822  ? 511 A 1 c
ATOM 1305 H  HD23 . LEU Axp A 83  ? 11.593 18.644  118.517 1   90.831  ? 511 A 1 c
ATOM 1306 N  N    . LYS Axp A 84  ? 7.948  20.732  122.226 1   106.944 ? 512 A 1 .
ATOM 1307 C  CA   . LYS Axp A 84  ? 6.829  19.835  122.478 1   118.596 ? 512 A 1 .
ATOM 1308 C  C    . LYS Axp A 84  ? 5.51   20.498  122.067 1   133.893 ? 512 A 1 .
ATOM 1309 O  O    . LYS Axp A 84  ? 4.584  19.828  121.6   1   151.018 ? 512 A 1 .
ATOM 1310 C  CB   . LYS Axp A 84  ? 6.76   19.378  123.941 1   121.632 ? 512 A 1 .
ATOM 1311 C  CG   . LYS Axp A 84  ? 7.757  18.306  124.374 1   141.779 ? 512 A 1 .
ATOM 1312 C  CD   . LYS Axp A 84  ? 7.479  17.634  125.722 1   147.523 ? 512 A 1 .
ATOM 1313 C  CE   . LYS Axp A 84  ? 8.697  17.04   126.396 1   149.806 ? 512 A 1 .
ATOM 1314 N  NZ   . LYS Axp A 84  ? 9.268  15.852  125.749 1   162.511 ? 512 A 1 .
ATOM 1315 H  H    . LYS Axp A 84  ? 8.516  20.933  122.913 1   111.498 ? 512 A 1 c
ATOM 1316 H  HA   . LYS Axp A 84  ? 6.956  19.029  121.919 1   119.489 ? 512 A 1 c
ATOM 1317 H  HB3  . LYS Axp A 84  ? 5.856  19.039  124.114 1   125.315 ? 512 A 1 c
ATOM 1318 H  HB2  . LYS Axp A 84  ? 6.892  20.164  124.512 1   125.274 ? 512 A 1 c
ATOM 1319 H  HG3  . LYS Axp A 84  ? 8.649  18.715  124.407 1   138.204 ? 512 A 1 c
ATOM 1320 H  HG2  . LYS Axp A 84  ? 7.78   17.613  123.679 1   138.135 ? 512 A 1 c
ATOM 1321 H  HD3  . LYS Axp A 84  ? 6.816  16.922  125.584 1   146.717 ? 512 A 1 c
ATOM 1322 H  HD2  . LYS Axp A 84  ? 7.077  18.297  126.324 1   146.717 ? 512 A 1 c
ATOM 1323 H  HE3  . LYS Axp A 84  ? 8.459  16.804  127.311 1   152.182 ? 512 A 1 c
ATOM 1324 H  HE2  . LYS Axp A 84  ? 9.389  17.724  126.445 1   152.106 ? 512 A 1 c
ATOM 1325 H  HZ1  . LYS Axp A 84  ? 9.61   16.079  124.941 1   158.49  ? 512 A 1 c
ATOM 1326 H  HZ2  . LYS Axp A 84  ? 8.624  15.226  125.635 1   158.49  ? 512 A 1 c
ATOM 1327 H  HZ3  . LYS Axp A 84  ? 9.929  15.509  126.266 1   158.49  ? 512 A 1 c
ATOM 1328 N  N    . THR Axp A 85  ? 5.428  21.823  122.252 1   131.216 ? 513 A 1 .
ATOM 1329 C  CA   . THR Axp A 85  ? 4.246  22.594  121.89  1   120.335 ? 513 A 1 .
ATOM 1330 C  C    . THR Axp A 85  ? 3.903  22.365  120.421 1   105.355 ? 513 A 1 .
ATOM 1331 O  O    . THR Axp A 85  ? 2.761  22.041  120.114 1   103.223 ? 513 A 1 .
ATOM 1332 C  CB   . THR Axp A 85  ? 4.484  24.083  122.154 1   122.867 ? 513 A 1 .
ATOM 1333 O  OG1  . THR Axp A 85  ? 4.854  24.298  123.516 1   105.81  ? 513 A 1 .
ATOM 1334 C  CG2  . THR Axp A 85  ? 3.273  24.93   121.797 1   127.482 ? 513 A 1 .
ATOM 1335 H  H    . THR Axp A 85  ? 6.131  22.262  122.636 1   128.922 ? 513 A 1 c
ATOM 1336 H  HA   . THR Axp A 85  ? 3.494  22.292  122.444 1   119.786 ? 513 A 1 c
ATOM 1337 H  HB   . THR Axp A 85  ? 5.23   24.38   121.579 1   119.487 ? 513 A 1 c
ATOM 1338 H  HG1  . THR Axp A 85  ? 4.068  23.831  124.136 0   104.69  ? 513 A 1 c
ATOM 1339 H  HG21 . THR Axp A 85  ? 3.262  25.73   122.349 1   125.901 ? 513 A 1 c
ATOM 1340 H  HG22 . THR Axp A 85  ? 2.461  24.419  121.952 1   125.907 ? 513 A 1 c
ATOM 1341 H  HG23 . THR Axp A 85  ? 3.32   25.185  120.86  1   125.931 ? 513 A 1 c
ATOM 1342 N  N    . ILE Axp A 86  ? 4.903  22.546  119.541 1   95.69   ? 514 A 1 .
ATOM 1343 C  CA   . ILE Axp A 86  ? 4.705  22.486  118.1   1   102.136 ? 514 A 1 .
ATOM 1344 C  C    . ILE Axp A 86  ? 4.482  21.034  117.659 1   102.84  ? 514 A 1 .
ATOM 1345 O  O    . ILE Axp A 86  ? 3.622  20.757  116.808 1   110.474 ? 514 A 1 .
ATOM 1346 C  CB   . ILE Axp A 86  ? 5.857  23.172  117.329 1   98.101  ? 514 A 1 .
ATOM 1347 C  CG1  . ILE Axp A 86  ? 5.753  24.668  117.404 1   92.801  ? 514 A 1 .
ATOM 1348 C  CG2  . ILE Axp A 86  ? 5.918  22.759  115.856 1   105.084 ? 514 A 1 .
ATOM 1349 C  CD1  . ILE Axp A 86  ? 6.345  25.259  118.662 1   105.49  ? 514 A 1 .
ATOM 1350 H  H    . ILE Axp A 86  ? 5.743  22.715  119.858 1   99.686  ? 514 A 1 c
ATOM 1351 H  HA   . ILE Axp A 86  ? 3.886  22.98   117.899 1   100.211 ? 514 A 1 c
ATOM 1352 H  HB   . ILE Axp A 86  ? 6.699  22.908  117.75  1   99.099  ? 514 A 1 c
ATOM 1353 H  HG12 . ILE Axp A 86  ? 4.81   24.923  117.35  1   96.871  ? 514 A 1 c
ATOM 1354 H  HG13 . ILE Axp A 86  ? 6.212  25.057  116.631 1   96.906  ? 514 A 1 c
ATOM 1355 H  HG21 . ILE Axp A 86  ? 6.61   23.268  115.402 1   103.005 ? 514 A 1 c
ATOM 1356 H  HG22 . ILE Axp A 86  ? 5.062  22.934  115.435 1   103.515 ? 514 A 1 c
ATOM 1357 H  HG23 . ILE Axp A 86  ? 6.123  21.811  115.789 1   103.091 ? 514 A 1 c
ATOM 1358 H  HD11 . ILE Axp A 86  ? 5.737  25.109  119.411 1   101.637 ? 514 A 1 c
ATOM 1359 H  HD12 . ILE Axp A 86  ? 6.476  26.218  118.54  1   101.57  ? 514 A 1 c
ATOM 1360 H  HD13 . ILE Axp A 86  ? 7.204  24.837  118.854 1   101.564 ? 514 A 1 c
ATOM 1361 N  N    . THR Axp A 87  ? 5.255  20.105  118.231 1   85.924  ? 515 A 1 .
ATOM 1362 C  CA   . THR Axp A 87  ? 5.178  18.721  117.8   1   108.711 ? 515 A 1 .
ATOM 1363 C  C    . THR Axp A 87  ? 3.829  18.124  118.175 1   118.319 ? 515 A 1 .
ATOM 1364 O  O    . THR Axp A 87  ? 3.274  17.359  117.391 1   99.9    ? 515 A 1 .
ATOM 1365 C  CB   . THR Axp A 87  ? 6.318  17.895  118.393 1   133.087 ? 515 A 1 .
ATOM 1366 O  OG1  . THR Axp A 87  ? 6.333  17.988  119.814 1   137.902 ? 515 A 1 .
ATOM 1367 C  CG2  . THR Axp A 87  ? 7.671  18.368  117.91  1   135.622 ? 515 A 1 .
ATOM 1368 H  H    . THR Axp A 87  ? 5.837  20.335  118.897 1   95.271  ? 515 A 1 c
ATOM 1369 H  HA   . THR Axp A 87  ? 5.265  18.702  116.822 1   109.364 ? 515 A 1 c
ATOM 1370 H  HB   . THR Axp A 87  ? 6.202  16.95   118.133 1   129.551 ? 515 A 1 c
ATOM 1371 H  HG1  . THR Axp A 87  ? 6.454  18.721  120.01  0   117.7   ? 515 A 1 c
ATOM 1372 H  HG21 . THR Axp A 87  ? 8.368  17.831  118.321 1   134.655 ? 515 A 1 c
ATOM 1373 H  HG22 . THR Axp A 87  ? 7.796  19.3    118.151 1   133.987 ? 515 A 1 c
ATOM 1374 H  HG23 . THR Axp A 87  ? 7.72   18.276  116.943 1   134.655 ? 515 A 1 c
ATOM 1375 N  N    . LYS Axp A 88  ? 3.366  18.412  119.401 1   141.069 ? 516 A 1 .
ATOM 1376 C  CA   . LYS Axp A 88  ? 2.112  17.882  119.899 1   147.919 ? 516 A 1 .
ATOM 1377 C  C    . LYS Axp A 88  ? 0.955  18.622  119.247 1   129.687 ? 516 A 1 .
ATOM 1378 O  O    . LYS Axp A 88  ? -0.125 18.07   119.144 1   139.411 ? 516 A 1 .
ATOM 1379 C  CB   . LYS Axp A 88  ? 2.03   17.973  121.423 1   182.924 ? 516 A 1 .
ATOM 1380 C  CG   . LYS Axp A 88  ? 2.984  17.037  122.159 1   218.608 ? 516 A 1 .
ATOM 1381 C  CD   . LYS Axp A 88  ? 2.953  17.245  123.669 1   219.915 ? 516 A 1 .
ATOM 1382 C  CE   . LYS Axp A 88  ? 3.987  16.479  124.431 1   198.637 ? 516 A 1 .
ATOM 1383 N  NZ   . LYS Axp A 88  ? 3.934  16.881  125.837 1   182.84  ? 516 A 1 .
ATOM 1384 H  H    . LYS Axp A 88  ? 3.858  18.957  119.946 1   136.623 ? 516 A 1 c
ATOM 1385 H  HA   . LYS Axp A 88  ? 2.057  16.927  119.643 1   148.252 ? 516 A 1 c
ATOM 1386 H  HB3  . LYS Axp A 88  ? 1.113  17.763  121.702 1   181.102 ? 516 A 1 c
ATOM 1387 H  HB2  . LYS Axp A 88  ? 2.222  18.894  121.698 1   180.951 ? 516 A 1 c
ATOM 1388 H  HG3  . LYS Axp A 88  ? 3.896  17.191  121.829 1   210.178 ? 516 A 1 c
ATOM 1389 H  HG2  . LYS Axp A 88  ? 2.737  16.109  121.954 1   210.178 ? 516 A 1 c
ATOM 1390 H  HD3  . LYS Axp A 88  ? 2.064  16.99   124     1   214.451 ? 516 A 1 c
ATOM 1391 H  HD2  . LYS Axp A 88  ? 3.07   18.202  123.854 1   214.301 ? 516 A 1 c
ATOM 1392 H  HE3  . LYS Axp A 88  ? 4.874  16.665  124.073 1   199.357 ? 516 A 1 c
ATOM 1393 H  HE2  . LYS Axp A 88  ? 3.816  15.522  124.36  1   199.357 ? 516 A 1 c
ATOM 1394 H  HZ1  . LYS Axp A 88  ? 3.1    16.745  126.165 1   187.818 ? 516 A 1 c
ATOM 1395 H  HZ2  . LYS Axp A 88  ? 4.146  17.758  125.914 1   187.943 ? 516 A 1 c
ATOM 1396 H  HZ3  . LYS Axp A 88  ? 4.525  16.39   126.317 1   187.684 ? 516 A 1 c
ATOM 1397 N  N    . PHE Axp A 89  ? 1.197  19.846  118.773 1   126.932 ? 517 A 1 .
ATOM 1398 C  CA   . PHE Axp A 89  ? 0.182  20.602  118.054 1   130.38  ? 517 A 1 .
ATOM 1399 C  C    . PHE Axp A 89  ? -0.058 20.038  116.65  1   125.582 ? 517 A 1 .
ATOM 1400 O  O    . PHE Axp A 89  ? -1.189 19.701  116.308 1   150.741 ? 517 A 1 .
ATOM 1401 C  CB   . PHE Axp A 89  ? 0.58   22.075  118.009 1   125.477 ? 517 A 1 .
ATOM 1402 C  CG   . PHE Axp A 89  ? -0.364 22.945  117.196 1   133.933 ? 517 A 1 .
ATOM 1403 C  CD1  . PHE Axp A 89  ? -1.745 22.868  117.364 1   135.259 ? 517 A 1 .
ATOM 1404 C  CD2  . PHE Axp A 89  ? 0.142  23.826  116.251 1   136.782 ? 517 A 1 .
ATOM 1405 C  CE1  . PHE Axp A 89  ? -2.593 23.646  116.597 1   127.04  ? 517 A 1 .
ATOM 1406 C  CE2  . PHE Axp A 89  ? -0.708 24.629  115.512 1   133.956 ? 517 A 1 .
ATOM 1407 C  CZ   . PHE Axp A 89  ? -2.072 24.535  115.686 1   136.641 ? 517 A 1 .
ATOM 1408 H  H    . PHE Axp A 89  ? 2.013  20.232  118.914 1   128.353 ? 517 A 1 c
ATOM 1409 H  HA   . PHE Axp A 89  ? -0.669 20.531  118.563 1   128.164 ? 517 A 1 c
ATOM 1410 H  HB3  . PHE Axp A 89  ? 1.484  22.144  117.63  1   128.431 ? 517 A 1 c
ATOM 1411 H  HB2  . PHE Axp A 89  ? 0.609  22.418  118.929 1   128.306 ? 517 A 1 c
ATOM 1412 H  HD1  . PHE Axp A 89  ? -2.106 22.262  117.991 1   132.929 ? 517 A 1 c
ATOM 1413 H  HD2  . PHE Axp A 89  ? 1.075  23.898  116.132 1   135.296 ? 517 A 1 c
ATOM 1414 H  HE1  . PHE Axp A 89  ? -3.527 23.594  116.726 1   131.186 ? 517 A 1 c
ATOM 1415 H  HE2  . PHE Axp A 89  ? -0.355 25.223  114.871 1   135.143 ? 517 A 1 c
ATOM 1416 H  HZ   . PHE Axp A 89  ? -2.65  25.074  115.169 1   133.72  ? 517 A 1 c
ATOM 1417 N  N    . TYR Axp A 90  ? 0.981  19.944  115.818 1   101.514 ? 518 A 1 .
ATOM 1418 C  CA   . TYR Axp A 90  ? 0.808  19.378  114.484 1   103.177 ? 518 A 1 .
ATOM 1419 C  C    . TYR Axp A 90  ? 0.59   17.865  114.536 1   120.136 ? 518 A 1 .
ATOM 1420 O  O    . TYR Axp A 90  ? -0.121 17.311  113.697 1   121.844 ? 518 A 1 .
ATOM 1421 C  CB   . TYR Axp A 90  ? 2.021  19.673  113.607 1   101.157 ? 518 A 1 .
ATOM 1422 C  CG   . TYR Axp A 90  ? 2.089  21.146  113.254 1   116.595 ? 518 A 1 .
ATOM 1423 C  CD1  . TYR Axp A 90  ? 1.391  21.646  112.163 1   116.936 ? 518 A 1 .
ATOM 1424 C  CD2  . TYR Axp A 90  ? 2.834  22.033  114.021 1   136.847 ? 518 A 1 .
ATOM 1425 C  CE1  . TYR Axp A 90  ? 1.43   22.992  111.85  1   116.008 ? 518 A 1 .
ATOM 1426 C  CE2  . TYR Axp A 90  ? 2.881  23.382  113.717 1   124.981 ? 518 A 1 .
ATOM 1427 C  CZ   . TYR Axp A 90  ? 2.177  23.855  112.632 1   114.49  ? 518 A 1 .
ATOM 1428 O  OH   . TYR Axp A 90  ? 2.286  25.182  112.393 1   119.387 ? 518 A 1 .
ATOM 1429 H  H    . TYR Axp A 90  ? 1.807  20.233  116.08  1   107.288 ? 518 A 1 c
ATOM 1430 H  HA   . TYR Axp A 90  ? 0.009  19.797  114.066 1   105.735 ? 518 A 1 c
ATOM 1431 H  HB3  . TYR Axp A 90  ? 1.954  19.144  112.783 1   105.246 ? 518 A 1 c
ATOM 1432 H  HB2  . TYR Axp A 90  ? 2.838  19.414  114.089 1   105.028 ? 518 A 1 c
ATOM 1433 H  HD1  . TYR Axp A 90  ? 0.873  21.061  111.634 1   116.678 ? 518 A 1 c
ATOM 1434 H  HD2  . TYR Axp A 90  ? 3.31   21.712  114.767 1   128.24  ? 518 A 1 c
ATOM 1435 H  HE1  . TYR Axp A 90  ? 0.954  23.32   111.106 1   116.007 ? 518 A 1 c
ATOM 1436 H  HE2  . TYR Axp A 90  ? 3.392  23.971  114.244 1   124.655 ? 518 A 1 c
ATOM 1437 H  HH   . TYR Axp A 90  ? 1.707  25.396  111.745 0   117.52  ? 518 A 1 c
ATOM 1438 N  N    . ASN Axp A 91  ? 1.26   17.226  115.509 1   132.169 ? 519 A 1 .
ATOM 1439 C  CA   . ASN Axp A 91  ? 1.266  15.79   115.736 1   119.628 ? 519 A 1 .
ATOM 1440 C  C    . ASN Axp A 91  ? 1.432  15.071  114.402 1   118.266 ? 519 A 1 .
ATOM 1441 O  O    . ASN Axp A 91  ? 0.635  14.187  114.081 1   96.935  ? 519 A 1 .
ATOM 1442 C  CB   . ASN Axp A 91  ? 0.063  15.336  116.558 1   104.144 ? 519 A 1 .
ATOM 1443 C  CG   . ASN Axp A 91  ? 0.286  13.977  117.198 1   128.265 ? 519 A 1 .
ATOM 1444 O  OD1  . ASN Axp A 91  ? 1.376  13.662  117.696 1   116.654 ? 519 A 1 .
ATOM 1445 N  ND2  . ASN Axp A 91  ? -0.737 13.137  117.207 1   151.136 ? 519 A 1 .
ATOM 1446 H  H    . ASN Axp A 91  ? 1.764  17.737  116.075 1   125.902 ? 519 A 1 c
ATOM 1447 H  HA   . ASN Axp A 91  ? 2.064  15.586  116.27  1   118.507 ? 519 A 1 c
ATOM 1448 H  HB3  . ASN Axp A 91  ? -0.725 15.293  115.98  1   112.821 ? 519 A 1 c
ATOM 1449 H  HB2  . ASN Axp A 91  ? -0.113 15.994  117.26  1   112.74  ? 519 A 1 c
ATOM 1450 H  HD21 . ASN Axp A 91  ? -0.596 12.268  117.1   1   143.685 ? 519 A 1 c
ATOM 1451 H  HD22 . ASN Axp A 91  ? -1.561 13.445  117.319 1   143.685 ? 519 A 1 c
ATOM 1452 N  N    . HIS Axp A 92  ? 2.481  15.456  113.651 1   110.488 ? 520 A 1 .
ATOM 1453 C  CA   . HIS Axp A 92  ? 2.693  14.901  112.331 1   127.224 ? 520 A 1 .
ATOM 1454 C  C    . HIS Axp A 92  ? 2.962  13.41   112.409 1   123.316 ? 520 A 1 .
ATOM 1455 O  O    . HIS Axp A 92  ? 3.712  12.965  113.265 1   121.997 ? 520 A 1 .
ATOM 1456 C  CB   . HIS Axp A 92  ? 3.847  15.563  111.596 1   135.048 ? 520 A 1 .
ATOM 1457 C  CG   . HIS Axp A 92  ? 3.411  16.808  110.917 1   138.55  ? 520 A 1 .
ATOM 1458 N  ND1  . HIS Axp A 92  ? 3.914  18.016  111.337 1   128.09  ? 520 A 1 .
ATOM 1459 C  CD2  . HIS Axp A 92  ? 2.607  17.071  109.89  1   137.598 ? 520 A 1 .
ATOM 1460 C  CE1  . HIS Axp A 92  ? 3.425  18.986  110.593 1   124.942 ? 520 A 1 .
ATOM 1461 N  NE2  . HIS Axp A 92  ? 2.622  18.432  109.712 1   153.368 ? 520 A 1 .
ATOM 1462 H  H    . HIS Axp A 92  ? 3.071  16.073  113.976 1   116.294 ? 520 A 1 c
ATOM 1463 H  HA   . HIS Axp A 92  ? 1.865  15.047  111.819 1   124.574 ? 520 A 1 c
ATOM 1464 H  HB3  . HIS Axp A 92  ? 4.201  14.938  110.928 1   133.902 ? 520 A 1 c
ATOM 1465 H  HB2  . HIS Axp A 92  ? 4.558  15.775  112.239 1   133.848 ? 520 A 1 c
ATOM 1466 H  HD1  . HIS Axp A 92  ? 4.606  18.015  112.227 0   132.88  ? 520 A 1 c
ATOM 1467 H  HD2  . HIS Axp A 92  ? 2.114  16.453  109.387 1   141.032 ? 520 A 1 c
ATOM 1468 H  HE1  . HIS Axp A 92  ? 3.604  19.907  110.683 1   131.915 ? 520 A 1 c
ATOM 1469 H  HE2  . HIS Axp A 92  ? 2.409  19.072  109.303 0   129.05  ? 520 A 1 c
ATOM 1470 N  N    . PRO Axp A 93  ? 2.328  12.616  111.52  1   119.319 ? 521 A 1 .
ATOM 1471 C  CA   . PRO Axp A 93  ? 2.411  11.166  111.59  1   112.116 ? 521 A 1 .
ATOM 1472 C  C    . PRO Axp A 93  ? 3.813  10.645  111.332 1   104.194 ? 521 A 1 .
ATOM 1473 O  O    . PRO Axp A 93  ? 4.569  11.274  110.601 1   114.993 ? 521 A 1 .
ATOM 1474 C  CB   . PRO Axp A 93  ? 1.444  10.682  110.52  1   124.168 ? 521 A 1 .
ATOM 1475 C  CG   . PRO Axp A 93  ? 0.535  11.883  110.317 1   147.339 ? 521 A 1 .
ATOM 1476 C  CD   . PRO Axp A 93  ? 1.425  13.078  110.457 1   145.717 ? 521 A 1 .
ATOM 1477 H  HA   . PRO Axp A 93  ? 2.105  10.866  112.471 1   113.945 ? 521 A 1 c
ATOM 1478 H  HB3  . PRO Axp A 93  ? 0.938  9.906   110.829 1   126.098 ? 521 A 1 c
ATOM 1479 H  HB2  . PRO Axp A 93  ? 1.915  10.455  109.695 1   125.987 ? 521 A 1 c
ATOM 1480 H  HG3  . PRO Axp A 93  ? -0.173 11.901  110.992 1   141.414 ? 521 A 1 c
ATOM 1481 H  HG2  . PRO Axp A 93  ? 0.125  11.862  109.43  1   141.414 ? 521 A 1 c
ATOM 1482 H  HD3  . PRO Axp A 93  ? 1.916  13.265  109.633 1   139.396 ? 521 A 1 c
ATOM 1483 H  HD2  . PRO Axp A 93  ? 0.921  13.866  110.73  1   139.245 ? 521 A 1 c
ATOM 1484 N  N    . LEU Axp A 94  ? 4.118  9.506   111.957 1   102.428 ? 522 A 1 .
ATOM 1485 C  CA   . LEU Axp A 94  ? 5.412  8.845   111.858 1   114.272 ? 522 A 1 .
ATOM 1486 C  C    . LEU Axp A 94  ? 5.325  7.567   111.03  1   106.97  ? 522 A 1 .
ATOM 1487 O  O    . LEU Axp A 94  ? 4.556  6.673   111.355 1   138.218 ? 522 A 1 .
ATOM 1488 C  CB   . LEU Axp A 94  ? 5.832  8.504   113.282 1   121.261 ? 522 A 1 .
ATOM 1489 C  CG   . LEU Axp A 94  ? 6.849  9.43    113.944 1   139.491 ? 522 A 1 .
ATOM 1490 C  CD1  . LEU Axp A 94  ? 7.361  8.706   115.168 1   145.442 ? 522 A 1 .
ATOM 1491 C  CD2  . LEU Axp A 94  ? 7.979  9.821   113.002 1   142.667 ? 522 A 1 .
ATOM 1492 H  H    . LEU Axp A 94  ? 3.472  9.109   112.468 1   105.786 ? 522 A 1 c
ATOM 1493 H  HA   . LEU Axp A 94  ? 6.063  9.465   111.448 1   111.875 ? 522 A 1 c
ATOM 1494 H  HB3  . LEU Axp A 94  ? 6.203  7.592   113.28  1   123.549 ? 522 A 1 c
ATOM 1495 H  HB2  . LEU Axp A 94  ? 5.025  8.481   113.846 1   123.228 ? 522 A 1 c
ATOM 1496 H  HG   . LEU Axp A 94  ? 6.381  10.254  114.238 1   137.562 ? 522 A 1 c
ATOM 1497 H  HD11 . LEU Axp A 94  ? 6.61   8.399   115.703 1   143.468 ? 522 A 1 c
ATOM 1498 H  HD12 . LEU Axp A 94  ? 7.909  9.309   115.697 1   143.579 ? 522 A 1 c
ATOM 1499 H  HD13 . LEU Axp A 94  ? 7.896  7.942   114.894 1   143.465 ? 522 A 1 c
ATOM 1500 H  HD21 . LEU Axp A 94  ? 7.722  10.61   112.496 1   141.005 ? 522 A 1 c
ATOM 1501 H  HD22 . LEU Axp A 94  ? 8.161  9.089   112.389 1   140.393 ? 522 A 1 c
ATOM 1502 H  HD23 . LEU Axp A 94  ? 8.779  10.016  113.518 1   141.35  ? 522 A 1 c
ATOM 1503 N  N    . HIS Axp A 95  ? 6.16   7.426   110.005 1   84.602  ? 523 A 1 .
ATOM 1504 C  CA   . HIS Axp A 95  ? 6.05   6.25    109.16  1   95.562  ? 523 A 1 .
ATOM 1505 C  C    . HIS Axp A 95  ? 7.233  5.323   109.419 1   89.077  ? 523 A 1 .
ATOM 1506 O  O    . HIS Axp A 95  ? 8.377  5.781   109.524 1   92.308  ? 523 A 1 .
ATOM 1507 C  CB   . HIS Axp A 95  ? 5.975  6.653   107.682 1   132.248 ? 523 A 1 .
ATOM 1508 C  CG   . HIS Axp A 95  ? 5.633  5.56    106.714 1   131.964 ? 523 A 1 .
ATOM 1509 N  ND1  . HIS Axp A 95  ? 6.444  5.207   105.651 1   108.652 ? 523 A 1 .
ATOM 1510 C  CD2  . HIS Axp A 95  ? 4.569  4.759   106.66  1   137.481 ? 523 A 1 .
ATOM 1511 C  CE1  . HIS Axp A 95  ? 5.875  4.227   104.976 1   135.169 ? 523 A 1 .
ATOM 1512 N  NE2  . HIS Axp A 95  ? 4.738  3.939   105.574 1   157.431 ? 523 A 1 .
ATOM 1513 H  H    . HIS Axp A 95  ? 6.798  8.056   109.828 1   92.239  ? 523 A 1 c
ATOM 1514 H  HA   . HIS Axp A 95  ? 5.22   5.767   109.392 1   97.946  ? 523 A 1 c
ATOM 1515 H  HB3  . HIS Axp A 95  ? 6.84   7.036   107.425 1   122.501 ? 523 A 1 c
ATOM 1516 H  HB2  . HIS Axp A 95  ? 5.308  7.369   107.593 1   122.604 ? 523 A 1 c
ATOM 1517 H  HD1  . HIS Axp A 95  ? 7.246  5.258   105.469 0   112.96  ? 523 A 1 c
ATOM 1518 H  HD2  . HIS Axp A 95  ? 3.838  4.754   107.245 1   140.164 ? 523 A 1 c
ATOM 1519 H  HE1  . HIS Axp A 95  ? 6.224  3.803   104.211 1   133.131 ? 523 A 1 c
ATOM 1520 H  HE2  . HIS Axp A 95  ? 4.225  2.942   105.496 0   113.38  ? 523 A 1 c
ATOM 1521 N  N    . PHE Axp A 96  ? 6.946  4.006   109.445 1   85.671  ? 524 A 1 .
ATOM 1522 C  CA   . PHE Axp A 96  ? 7.947  2.981   109.739 1   86.777  ? 524 A 1 .
ATOM 1523 C  C    . PHE Axp A 96  ? 8.028  1.959   108.609 1   97.009  ? 524 A 1 .
ATOM 1524 O  O    . PHE Axp A 96  ? 7.093  1.834   107.811 1   114.612 ? 524 A 1 .
ATOM 1525 C  CB   . PHE Axp A 96  ? 7.669  2.272   111.069 1   90.685  ? 524 A 1 .
ATOM 1526 C  CG   . PHE Axp A 96  ? 8.116  3.109   112.266 1   118.017 ? 524 A 1 .
ATOM 1527 C  CD1  . PHE Axp A 96  ? 7.34   4.176   112.73  1   118.628 ? 524 A 1 .
ATOM 1528 C  CD2  . PHE Axp A 96  ? 9.331  2.862   112.909 1   130.399 ? 524 A 1 .
ATOM 1529 C  CE1  . PHE Axp A 96  ? 7.773  4.967   113.79  1   107.561 ? 524 A 1 .
ATOM 1530 C  CE2  . PHE Axp A 96  ? 9.756  3.661   113.971 1   120.503 ? 524 A 1 .
ATOM 1531 C  CZ   . PHE Axp A 96  ? 8.978  4.711   114.408 1   103.671 ? 524 A 1 .
ATOM 1532 H  H    . PHE Axp A 96  ? 6.091  3.738   109.268 1   86.872  ? 524 A 1 c
ATOM 1533 H  HA   . PHE Axp A 96  ? 8.832  3.427   109.811 1   89.266  ? 524 A 1 c
ATOM 1534 H  HB3  . PHE Axp A 96  ? 8.146  1.413   111.079 1   95.382  ? 524 A 1 c
ATOM 1535 H  HB2  . PHE Axp A 96  ? 6.704  2.096   111.139 1   95.345  ? 524 A 1 c
ATOM 1536 H  HD1  . PHE Axp A 96  ? 6.521  4.373   112.304 1   115.633 ? 524 A 1 c
ATOM 1537 H  HD2  . PHE Axp A 96  ? 9.881  2.156   112.606 1   124.545 ? 524 A 1 c
ATOM 1538 H  HE1  . PHE Axp A 96  ? 7.232  5.679   114.093 1   109.379 ? 524 A 1 c
ATOM 1539 H  HE2  . PHE Axp A 96  ? 10.577 3.475   114.397 1   118.29  ? 524 A 1 c
ATOM 1540 H  HZ   . PHE Axp A 96  ? 9.257  5.235   115.141 1   108.543 ? 524 A 1 c
ATOM 1541 N  N    . VAL Axp A 97  ? 9.184  1.274   108.547 1   102.116 ? 525 A 1 .
ATOM 1542 C  CA   . VAL Axp A 97  ? 9.462  0.265   107.538 1   98.551  ? 525 A 1 .
ATOM 1543 C  C    . VAL Axp A 97  ? 10.583 -0.663  108.002 1   104.093 ? 525 A 1 .
ATOM 1544 O  O    . VAL Axp A 97  ? 11.5   -0.258  108.711 1   119.576 ? 525 A 1 .
ATOM 1545 C  CB   . VAL Axp A 97  ? 9.866  0.931   106.216 1   122.401 ? 525 A 1 .
ATOM 1546 C  CG1  . VAL Axp A 97  ? 11.22  1.638   106.344 1   148.822 ? 525 A 1 .
ATOM 1547 C  CG2  . VAL Axp A 97  ? 9.846  -0.081  105.071 1   141.41  ? 525 A 1 .
ATOM 1548 H  H    . VAL Axp A 97  ? 9.83   1.451   109.17  1   99.904  ? 525 A 1 c
ATOM 1549 H  HA   . VAL Axp A 97  ? 8.653  -0.262  107.393 1   104.522 ? 525 A 1 c
ATOM 1550 H  HB   . VAL Axp A 97  ? 9.188  1.619   106.018 1   125.045 ? 525 A 1 c
ATOM 1551 H  HG11 . VAL Axp A 97  ? 11.938 0.99    106.242 1   139.891 ? 525 A 1 c
ATOM 1552 H  HG12 . VAL Axp A 97  ? 11.287 2.059   107.216 1   139.19  ? 525 A 1 c
ATOM 1553 H  HG13 . VAL Axp A 97  ? 11.298 2.316   105.652 1   139.742 ? 525 A 1 c
ATOM 1554 H  HG21 . VAL Axp A 97  ? 9.327  0.276   104.332 1   133.705 ? 525 A 1 c
ATOM 1555 H  HG22 . VAL Axp A 97  ? 9.439  -0.909  105.372 1   133.656 ? 525 A 1 c
ATOM 1556 H  HG23 . VAL Axp A 97  ? 10.754 -0.256  104.773 1   134.537 ? 525 A 1 c
ATOM 1557 N  N    . PHE Axp A 98  ? 10.53  -1.917  107.546 1   113.702 ? 526 A 1 .
ATOM 1558 C  CA   . PHE Axp A 98  ? 11.558 -2.895  107.853 1   110.439 ? 526 A 1 .
ATOM 1559 C  C    . PHE Axp A 98  ? 12.706 -2.809  106.853 1   102.218 ? 526 A 1 .
ATOM 1560 O  O    . PHE Axp A 98  ? 12.516 -2.497  105.677 1   97.199  ? 526 A 1 .
ATOM 1561 C  CB   . PHE Axp A 98  ? 10.91  -4.279  107.86  1   127.053 ? 526 A 1 .
ATOM 1562 C  CG   . PHE Axp A 98  ? 9.927  -4.447  109.011 1   128.565 ? 526 A 1 .
ATOM 1563 C  CD1  . PHE Axp A 98  ? 10.391 -4.674  110.297 1   130.558 ? 526 A 1 .
ATOM 1564 C  CD2  . PHE Axp A 98  ? 8.549  -4.363  108.812 1   140.548 ? 526 A 1 .
ATOM 1565 C  CE1  . PHE Axp A 98  ? 9.504  -4.826  111.35  1   142.318 ? 526 A 1 .
ATOM 1566 C  CE2  . PHE Axp A 98  ? 7.666  -4.5    109.875 1   149.503 ? 526 A 1 .
ATOM 1567 C  CZ   . PHE Axp A 98  ? 8.144  -4.73   111.142 1   138.72  ? 526 A 1 .
ATOM 1568 H  H    . PHE Axp A 98  ? 9.819  -2.176  107.033 1   111     ? 526 A 1 c
ATOM 1569 H  HA   . PHE Axp A 98  ? 11.91  -2.708  108.762 1   112.206 ? 526 A 1 c
ATOM 1570 H  HB3  . PHE Axp A 98  ? 11.616 -4.959  107.938 1   123.139 ? 526 A 1 c
ATOM 1571 H  HB2  . PHE Axp A 98  ? 10.439 -4.415  107.008 1   123.265 ? 526 A 1 c
ATOM 1572 H  HD1  . PHE Axp A 98  ? 11.32  -4.737  110.453 1   132.899 ? 526 A 1 c
ATOM 1573 H  HD2  . PHE Axp A 98  ? 8.214  -4.198  107.945 1   139.579 ? 526 A 1 c
ATOM 1574 H  HE1  . PHE Axp A 98  ? 9.835  -4.98   112.221 1   138.646 ? 526 A 1 c
ATOM 1575 H  HE2  . PHE Axp A 98  ? 6.736  -4.444  109.724 1   144.562 ? 526 A 1 c
ATOM 1576 H  HZ   . PHE Axp A 98  ? 7.544  -4.835  111.864 1   141.845 ? 526 A 1 c
ATOM 1577 N  N    . ASN Axp A 99  ? 13.892 -3.155  107.356 1   99.315  ? 527 A 1 .
ATOM 1578 C  CA   . ASN Axp A 99  ? 15.162 -3      106.663 1   107.038 ? 527 A 1 .
ATOM 1579 C  C    . ASN Axp A 99  ? 15.217 -3.766  105.34  1   100.461 ? 527 A 1 .
ATOM 1580 O  O    . ASN Axp A 99  ? 15.966 -3.381  104.446 1   97.78   ? 527 A 1 .
ATOM 1581 C  CB   . ASN Axp A 99  ? 16.3   -3.422  107.582 1   109.692 ? 527 A 1 .
ATOM 1582 C  CG   . ASN Axp A 99  ? 16.157 -4.85   108.043 1   128.361 ? 527 A 1 .
ATOM 1583 O  OD1  . ASN Axp A 99  ? 15.055 -5.304  108.363 1   148.217 ? 527 A 1 .
ATOM 1584 N  ND2  . ASN Axp A 99  ? 17.25  -5.588  108.042 1   156.147 ? 527 A 1 .
ATOM 1585 H  H    . ASN Axp A 99  ? 13.907 -3.511  108.197 1   102.058 ? 527 A 1 c
ATOM 1586 H  HA   . ASN Axp A 99  ? 15.285 -2.043  106.467 1   104.751 ? 527 A 1 c
ATOM 1587 H  HB3  . ASN Axp A 99  ? 16.317 -2.834  108.363 1   113.153 ? 527 A 1 c
ATOM 1588 H  HB2  . ASN Axp A 99  ? 17.149 -3.321  107.108 1   113.334 ? 527 A 1 c
ATOM 1589 H  HD21 . ASN Axp A 99  ? 17.21  -6.437  107.791 1   146.926 ? 527 A 1 c
ATOM 1590 H  HD22 . ASN Axp A 99  ? 18.023 -5.233  108.294 1   146.702 ? 527 A 1 c
ATOM 1591 N  N    . ASP Axp A 100 ? 14.423 -4.835  105.229 1   109.189 ? 528 A 1 .
ATOM 1592 C  CA   . ASP Axp A 100 ? 14.44  -5.726  104.08  1   119.771 ? 528 A 1 .
ATOM 1593 C  C    . ASP Axp A 100 ? 13.579 -5.177  102.942 1   115.689 ? 528 A 1 .
ATOM 1594 O  O    . ASP Axp A 100 ? 13.538 -5.765  101.862 1   121.836 ? 528 A 1 .
ATOM 1595 C  CB   . ASP Axp A 100 ? 13.903 -7.099  104.463 1   134.057 ? 528 A 1 .
ATOM 1596 C  CG   . ASP Axp A 100 ? 12.447 -7.112  104.916 1   133.752 ? 528 A 1 .
ATOM 1597 O  OD1  . ASP Axp A 100 ? 12.07  -6.171  105.638 1   102.909 ? 528 A 1 .
ATOM 1598 O  OD2  . ASP Axp A 100 ? 11.707 -8.059  104.555 1   153.827 ? 528 A 1 .
ATOM 1599 H  H    . ASP Axp A 100 ? 13.851 -5.028  105.915 1   109.452 ? 528 A 1 c
ATOM 1600 H  HA   . ASP Axp A 100 ? 15.368 -5.821  103.766 1   119.095 ? 528 A 1 c
ATOM 1601 H  HB3  . ASP Axp A 100 ? 14.452 -7.46   105.19  1   130.606 ? 528 A 1 c
ATOM 1602 H  HB2  . ASP Axp A 100 ? 13.99  -7.699  103.693 1   130.675 ? 528 A 1 c
ATOM 1603 N  N    . THR Axp A 101 ? 12.862 -4.074  103.195 1   100.752 ? 529 A 1 .
ATOM 1604 C  CA   . THR Axp A 101 ? 11.865 -3.604  102.25  1   92.784  ? 529 A 1 .
ATOM 1605 C  C    . THR Axp A 101 ? 12.531 -3.212  100.936 1   87.515  ? 529 A 1 .
ATOM 1606 O  O    . THR Axp A 101 ? 13.483 -2.435  100.922 1   80.618  ? 529 A 1 .
ATOM 1607 C  CB   . THR Axp A 101 ? 11.101 -2.42   102.825 1   87.377  ? 529 A 1 .
ATOM 1608 O  OG1  . THR Axp A 101 ? 10.634 -2.73   104.138 1   80.009  ? 529 A 1 .
ATOM 1609 C  CG2  . THR Axp A 101 ? 9.985  -2.031  101.873 1   89.886  ? 529 A 1 .
ATOM 1610 H  H    . THR Axp A 101 ? 12.991 -3.607  103.969 1   102.252 ? 529 A 1 c
ATOM 1611 H  HA   . THR Axp A 101 ? 11.231 -4.335  102.082 1   92.377  ? 529 A 1 c
ATOM 1612 H  HB   . THR Axp A 101 ? 11.719 -1.653  102.886 1   87.305  ? 529 A 1 c
ATOM 1613 H  HG1  . THR Axp A 101 ? 9.884  -3.607  103.928 0   98.09   ? 529 A 1 c
ATOM 1614 H  HG21 . THR Axp A 101 ? 9.259  -1.624  102.374 1   89.132  ? 529 A 1 c
ATOM 1615 H  HG22 . THR Axp A 101 ? 9.655  -2.822  101.414 1   89.162  ? 529 A 1 c
ATOM 1616 H  HG23 . THR Axp A 101 ? 10.322 -1.395  101.219 1   89.086  ? 529 A 1 c
ATOM 1617 N  N    . LYS Axp A 102 ? 11.998 -3.732  99.831  1   94.167  ? 530 A 1 .
ATOM 1618 C  CA   . LYS Axp A 102 ? 12.539 -3.412  98.522  1   106.522 ? 530 A 1 .
ATOM 1619 C  C    . LYS Axp A 102 ? 12.11  -1.994  98.161  1   97.297  ? 530 A 1 .
ATOM 1620 O  O    . LYS Axp A 102 ? 11.073 -1.511  98.61   1   79.7    ? 530 A 1 .
ATOM 1621 C  CB   . LYS Axp A 102 ? 12.078 -4.414  97.456  1   123.326 ? 530 A 1 .
ATOM 1622 C  CG   . LYS Axp A 102 ? 12.436 -5.866  97.735  1   124.135 ? 530 A 1 .
ATOM 1623 C  CD   . LYS Axp A 102 ? 13.927 -6.075  97.963  1   134.745 ? 530 A 1 .
ATOM 1624 C  CE   . LYS Axp A 102 ? 14.326 -7.509  98.058  1   147.511 ? 530 A 1 .
ATOM 1625 N  NZ   . LYS Axp A 102 ? 14.311 -8.146  96.74   1   165.701 ? 530 A 1 .
ATOM 1626 H  H    . LYS Axp A 102 ? 11.282 -4.298  99.89   1   95.265  ? 530 A 1 c
ATOM 1627 H  HA   . LYS Axp A 102 ? 13.525 -3.437  98.578  1   104.932 ? 530 A 1 c
ATOM 1628 H  HB3  . LYS Axp A 102 ? 12.473 -4.159  96.595  1   119.478 ? 530 A 1 c
ATOM 1629 H  HB2  . LYS Axp A 102 ? 11.103 -4.348  97.365  1   119.478 ? 530 A 1 c
ATOM 1630 H  HG3  . LYS Axp A 102 ? 12.145 -6.414  96.975  1   126.486 ? 530 A 1 c
ATOM 1631 H  HG2  . LYS Axp A 102 ? 11.944 -6.164  98.531  1   126.321 ? 530 A 1 c
ATOM 1632 H  HD3  . LYS Axp A 102 ? 14.187 -5.621  98.793  1   134.664 ? 530 A 1 c
ATOM 1633 H  HD2  . LYS Axp A 102 ? 14.422 -5.654  97.227  1   134.853 ? 530 A 1 c
ATOM 1634 H  HE3  . LYS Axp A 102 ? 13.711 -7.981  98.647  1   148.507 ? 530 A 1 c
ATOM 1635 H  HE2  . LYS Axp A 102 ? 15.222 -7.575  98.434  1   148.507 ? 530 A 1 c
ATOM 1636 H  HZ1  . LYS Axp A 102 ? 14.786 -7.65   96.148  1   159.412 ? 530 A 1 c
ATOM 1637 H  HZ2  . LYS Axp A 102 ? 13.459 -8.227  96.445  1   159.334 ? 530 A 1 c
ATOM 1638 H  HZ3  . LYS Axp A 102 ? 14.682 -8.97   96.798  1   159.683 ? 530 A 1 c
ATOM 1639 N  N    . LEU Axp A 103 ? 12.908 -1.352  97.309  1   94.314  ? 531 A 1 .
ATOM 1640 C  CA   . LEU Axp A 103 ? 12.739 0.06    97.032  1   97.061  ? 531 A 1 .
ATOM 1641 C  C    . LEU Axp A 103 ? 11.523 0.326   96.155  1   90.803  ? 531 A 1 .
ATOM 1642 O  O    . LEU Axp A 103 ? 10.95  1.403   96.252  1   77.211  ? 531 A 1 .
ATOM 1643 C  CB   . LEU Axp A 103 ? 13.997 0.625   96.386  1   106.462 ? 531 A 1 .
ATOM 1644 C  CG   . LEU Axp A 103 ? 15.186 0.833   97.329  1   115.149 ? 531 A 1 .
ATOM 1645 C  CD1  . LEU Axp A 103 ? 16.276 1.597   96.595  1   104.46  ? 531 A 1 .
ATOM 1646 C  CD2  . LEU Axp A 103 ? 14.806 1.541   98.629  1   108.13  ? 531 A 1 .
ATOM 1647 H  H    . LEU Axp A 103 ? 13.577 -1.81   96.886  1   95.92   ? 531 A 1 c
ATOM 1648 H  HA   . LEU Axp A 103 ? 12.59  0.52    97.895  1   97.107  ? 531 A 1 c
ATOM 1649 H  HB3  . LEU Axp A 103 ? 13.771 1.492   95.976  1   105.985 ? 531 A 1 c
ATOM 1650 H  HB2  . LEU Axp A 103 ? 14.274 0.015   95.664  1   106.008 ? 531 A 1 c
ATOM 1651 H  HG   . LEU Axp A 103 ? 15.548 -0.06   97.565  1   110.128 ? 531 A 1 c
ATOM 1652 H  HD11 . LEU Axp A 103 ? 16.483 1.146   95.76   1   107.51  ? 531 A 1 c
ATOM 1653 H  HD12 . LEU Axp A 103 ? 17.074 1.635   97.149  1   107.51  ? 531 A 1 c
ATOM 1654 H  HD13 . LEU Axp A 103 ? 15.97  2.5     96.407  1   107.51  ? 531 A 1 c
ATOM 1655 H  HD21 . LEU Axp A 103 ? 14.419 0.9     99.248  1   109.959 ? 531 A 1 c
ATOM 1656 H  HD22 . LEU Axp A 103 ? 14.159 2.241   98.441  1   109.964 ? 531 A 1 c
ATOM 1657 H  HD23 . LEU Axp A 103 ? 15.598 1.934   99.028  1   109.832 ? 531 A 1 c
ATOM 1658 N  N    . ASP Axp A 104 ? 11.148 -0.625  95.296  1   91.634  ? 532 A 1 .
ATOM 1659 C  CA   . ASP Axp A 104 ? 9.993  -0.436  94.428  1   102.748 ? 532 A 1 .
ATOM 1660 C  C    . ASP Axp A 104 ? 8.725  -0.376  95.276  1   96.341  ? 532 A 1 .
ATOM 1661 O  O    . ASP Axp A 104 ? 7.816  0.418   95.008  1   78.279  ? 532 A 1 .
ATOM 1662 C  CB   . ASP Axp A 104 ? 9.902  -1.522  93.372  1   112.532 ? 532 A 1 .
ATOM 1663 C  CG   . ASP Axp A 104 ? 9.915  -2.949  93.903  1   113.193 ? 532 A 1 .
ATOM 1664 O  OD1  . ASP Axp A 104 ? 10.005 -3.121  95.132  1   126.969 ? 532 A 1 .
ATOM 1665 O  OD2  . ASP Axp A 104 ? 9.841  -3.879  93.08   1   109.959 ? 532 A 1 .
ATOM 1666 H  H    . ASP Axp A 104 ? 11.626 -1.402  95.24   1   94.059  ? 532 A 1 c
ATOM 1667 H  HA   . ASP Axp A 104 ? 10.097 0.424   93.962  1   100.814 ? 532 A 1 c
ATOM 1668 H  HB3  . ASP Axp A 104 ? 10.651 -1.422  92.75   1   110.228 ? 532 A 1 c
ATOM 1669 H  HB2  . ASP Axp A 104 ? 9.073  -1.395  92.865  1   110.259 ? 532 A 1 c
ATOM 1670 N  N    . ALA Axp A 105 ? 8.7    -1.247  96.29   1   86.517  ? 533 A 1 .
ATOM 1671 C  CA   . ALA Axp A 105 ? 7.649  -1.279  97.283  1   92.843  ? 533 A 1 .
ATOM 1672 C  C    . ALA Axp A 105 ? 7.667  0.018   98.08   1   83.748  ? 533 A 1 .
ATOM 1673 O  O    . ALA Axp A 105 ? 6.626  0.558   98.448  1   90.072  ? 533 A 1 .
ATOM 1674 C  CB   . ALA Axp A 105 ? 7.849  -2.485  98.171  1   98.753  ? 533 A 1 .
ATOM 1675 H  H    . ALA Axp A 105 ? 9.38   -1.853  96.363  1   90.509  ? 533 A 1 c
ATOM 1676 H  HA   . ALA Axp A 105 ? 6.772  -1.351  96.814  1   90.88   ? 533 A 1 c
ATOM 1677 H  HB3  . ALA Axp A 105 ? 7.052  -2.631  98.708  1   96.906  ? 533 A 1 c
ATOM 1678 H  HB2  . ALA Axp A 105 ? 8.609  -2.337  98.759  1   96.764  ? 533 A 1 c
ATOM 1679 H  HB1  . ALA Axp A 105 ? 8.014  -3.271  97.624  1   96.871  ? 533 A 1 c
ATOM 1680 N  N    . MSE Axp A 106 ? 8.869  0.518   98.341  1   76.734  ? 534 A 1 .
ATOM 1681 C  CA   . MSE Axp A 106 ? 9.015  1.763   99.074  1   96.471  ? 534 A 1 .
ATOM 1682 C  C    . MSE Axp A 106 ? 8.475  2.917   98.234  1   85.546  ? 534 A 1 .
ATOM 1683 O  O    . MSE Axp A 106 ? 7.773  3.8     98.733  1   86.897  ? 534 A 1 .
ATOM 1684 C  CB   . MSE Axp A 106 ? 10.48  2       99.464  1   102.71  ? 534 A 1 .
ATOM 1685 C  CG   . MSE Axp A 106 ? 10.713 3.274   100.251 1   107.163 ? 534 A 1 .
ATOM 1686 SE SE   . MSE Axp A 106 ? 9.334  3.566   101.627 1   118.28  ? 534 A 1 .
ATOM 1687 C  CE   . MSE Axp A 106 ? 10.095 2.53    103.059 1   75.062  ? 534 A 1 .
ATOM 1688 H  H    . MSE Axp A 106 ? 9.619  0.067   98.078  1   82.765  ? 534 A 1 c
ATOM 1689 H  HA   . MSE Axp A 106 ? 8.474  1.696   99.893  1   91.329  ? 534 A 1 c
ATOM 1690 H  HB2  . MSE Axp A 106 ? 11.008 2.036   98.674  1   102.057 ? 534 A 1 c
ATOM 1691 H  HB3  . MSE Axp A 106 ? 10.783 1.262   99.989  1   102.221 ? 534 A 1 c
ATOM 1692 H  HG2  . MSE Axp A 106 ? 10.718 4.039   99.637  1   107.72  ? 534 A 1 c
ATOM 1693 H  HG3  . MSE Axp A 106 ? 11.591 3.231   100.685 1   107.752 ? 534 A 1 c
ATOM 1694 H  HE1  . MSE Axp A 106 ? 9.498  2.55    103.823 1   84.004  ? 534 A 1 c
ATOM 1695 H  HE2  . MSE Axp A 106 ? 10.954 2.906   103.308 1   83.776  ? 534 A 1 c
ATOM 1696 H  HE3  . MSE Axp A 106 ? 10.215 1.615   102.763 1   84.261  ? 534 A 1 c
ATOM 1697 N  N    . LEU Axp A 107 ? 8.823  2.901   96.951  1   80.417  ? 535 A 1 .
ATOM 1698 C  CA   . LEU Axp A 107 ? 8.36   3.928   96.037  1   94.79   ? 535 A 1 .
ATOM 1699 C  C    . LEU Axp A 107 ? 6.842  3.989   96.115  1   100.624 ? 535 A 1 .
ATOM 1700 O  O    . LEU Axp A 107 ? 6.246  5.062   96.253  1   90.931  ? 535 A 1 .
ATOM 1701 C  CB   . LEU Axp A 107 ? 8.798  3.562   94.62   1   100.835 ? 535 A 1 .
ATOM 1702 C  CG   . LEU Axp A 107 ? 9.108  4.708   93.65   1   92.78   ? 535 A 1 .
ATOM 1703 C  CD1  . LEU Axp A 107 ? 8.648  4.262   92.26   1   100.645 ? 535 A 1 .
ATOM 1704 C  CD2  . LEU Axp A 107 ? 8.5    6.053   94.057  1   92.394  ? 535 A 1 .
ATOM 1705 H  H    . LEU Axp A 107 ? 9.368  2.239   96.637  1   84.954  ? 535 A 1 c
ATOM 1706 H  HA   . LEU Axp A 107 ? 8.749  4.798   96.305  1   93.801  ? 535 A 1 c
ATOM 1707 H  HB3  . LEU Axp A 107 ? 8.097  3       94.218  1   97.503  ? 535 A 1 c
ATOM 1708 H  HB2  . LEU Axp A 107 ? 9.602  2.997   94.685  1   97.203  ? 535 A 1 c
ATOM 1709 H  HG   . LEU Axp A 107 ? 10.093 4.821   93.618  1   95.58   ? 535 A 1 c
ATOM 1710 H  HD11 . LEU Axp A 107 ? 9.016  3.385   92.061  1   98.279  ? 535 A 1 c
ATOM 1711 H  HD12 . LEU Axp A 107 ? 8.957  4.901   91.596  1   98.271  ? 535 A 1 c
ATOM 1712 H  HD13 . LEU Axp A 107 ? 7.677  4.218   92.238  1   98.267  ? 535 A 1 c
ATOM 1713 H  HD21 . LEU Axp A 107 ? 8.982  6.411   94.821  1   92.639  ? 535 A 1 c
ATOM 1714 H  HD22 . LEU Axp A 107 ? 7.566  5.933   94.289  1   92.981  ? 535 A 1 c
ATOM 1715 H  HD23 . LEU Axp A 107 ? 8.568  6.676   93.314  1   92.624  ? 535 A 1 c
ATOM 1716 N  N    . GLU Axp A 108 ? 6.254  2.8     95.967  1   102.858 ? 536 A 1 .
ATOM 1717 C  CA   . GLU Axp A 108 ? 4.818  2.633   95.982  1   110.388 ? 536 A 1 .
ATOM 1718 C  C    . GLU Axp A 108 ? 4.235  3.139   97.298  1   94.646  ? 536 A 1 .
ATOM 1719 O  O    . GLU Axp A 108 ? 3.201  3.791   97.287  1   92.011  ? 536 A 1 .
ATOM 1720 C  CB   . GLU Axp A 108 ? 4.568  1.151   95.728  1   128.896 ? 536 A 1 .
ATOM 1721 C  CG   . GLU Axp A 108 ? 3.102  0.817   95.48   1   157.165 ? 536 A 1 .
ATOM 1722 C  CD   . GLU Axp A 108 ? 2.905  -0.378  94.551  1   179.037 ? 536 A 1 .
ATOM 1723 O  OE1  . GLU Axp A 108 ? 3.319  -0.271  93.375  1   193.938 ? 536 A 1 .
ATOM 1724 O  OE2  . GLU Axp A 108 ? 2.354  -1.418  94.979  1   190.022 ? 536 A 1 .
ATOM 1725 H  H    . GLU Axp A 108 ? 6.777  2.059   95.855  1   104.017 ? 536 A 1 c
ATOM 1726 H  HA   . GLU Axp A 108 ? 4.433  3.161   95.237  1   109.134 ? 536 A 1 c
ATOM 1727 H  HB3  . GLU Axp A 108 ? 4.883  0.64    96.502  1   129.939 ? 536 A 1 c
ATOM 1728 H  HB2  . GLU Axp A 108 ? 5.095  0.87    94.951  1   130.24  ? 536 A 1 c
ATOM 1729 H  HG3  . GLU Axp A 108 ? 2.655  1.597   95.087  1   154.101 ? 536 A 1 c
ATOM 1730 H  HG2  . GLU Axp A 108 ? 2.667  0.622   96.338  1   154.624 ? 536 A 1 c
ATOM 1731 N  N    . GLU Axp A 109 ? 4.895  2.831   98.421  1   82.37   ? 537 A 1 .
ATOM 1732 C  CA   . GLU Axp A 109 ? 4.461  3.29    99.735  1   88.079  ? 537 A 1 .
ATOM 1733 C  C    . GLU Axp A 109 ? 4.432  4.815   99.836  1   79.914  ? 537 A 1 .
ATOM 1734 O  O    . GLU Axp A 109 ? 3.523  5.404   100.413 1   69.489  ? 537 A 1 .
ATOM 1735 C  CB   . GLU Axp A 109 ? 5.357  2.784   100.869 1   109.729 ? 537 A 1 .
ATOM 1736 C  CG   . GLU Axp A 109 ? 4.727  1.707   101.753 1   125.677 ? 537 A 1 .
ATOM 1737 C  CD   . GLU Axp A 109 ? 3.435  2.146   102.428 1   133.951 ? 537 A 1 .
ATOM 1738 O  OE1  . GLU Axp A 109 ? 3.466  3.145   103.177 1   127.173 ? 537 A 1 .
ATOM 1739 O  OE2  . GLU Axp A 109 ? 2.381  1.511   102.19  1   137.22  ? 537 A 1 .
ATOM 1740 H  H    . GLU Axp A 109 ? 5.64   2.305   98.366  1   86.975  ? 537 A 1 c
ATOM 1741 H  HA   . GLU Axp A 109 ? 3.542  2.954   99.884  1   89.255  ? 537 A 1 c
ATOM 1742 H  HB3  . GLU Axp A 109 ? 5.603  3.542   101.441 1   107.392 ? 537 A 1 c
ATOM 1743 H  HB2  . GLU Axp A 109 ? 6.183  2.425   100.484 1   107.273 ? 537 A 1 c
ATOM 1744 H  HG3  . GLU Axp A 109 ? 5.369  1.447   102.447 1   123.674 ? 537 A 1 c
ATOM 1745 H  HG2  . GLU Axp A 109 ? 4.541  0.913   101.207 1   123.738 ? 537 A 1 c
ATOM 1746 N  N    . PHE Axp A 110 ? 5.46   5.46    99.312  1   88.671  ? 538 A 1 .
ATOM 1747 C  CA   . PHE Axp A 110 ? 5.589  6.898   99.464  1   103.098 ? 538 A 1 .
ATOM 1748 C  C    . PHE Axp A 110 ? 4.654  7.684   98.54   1   115.456 ? 538 A 1 .
ATOM 1749 O  O    . PHE Axp A 110 ? 4.258  8.805   98.869  1   108.492 ? 538 A 1 .
ATOM 1750 C  CB   . PHE Axp A 110 ? 7.033  7.242   99.11   1   108.614 ? 538 A 1 .
ATOM 1751 C  CG   . PHE Axp A 110 ? 8.068  7.143   100.217 1   87.78   ? 538 A 1 .
ATOM 1752 C  CD1  . PHE Axp A 110 ? 7.73   7.349   101.537 1   77.065  ? 538 A 1 .
ATOM 1753 C  CD2  . PHE Axp A 110 ? 9.401  6.918   99.896  1   82.605  ? 538 A 1 .
ATOM 1754 C  CE1  . PHE Axp A 110 ? 8.704  7.312   102.509 1   104.045 ? 538 A 1 .
ATOM 1755 C  CE2  . PHE Axp A 110 ? 10.37  6.885   100.869 1   77.182  ? 538 A 1 .
ATOM 1756 C  CZ   . PHE Axp A 110 ? 10.023 7.092   102.172 1   96.874  ? 538 A 1 .
ATOM 1757 H  H    . PHE Axp A 110 ? 6.099  4.999   98.85   1   89.659  ? 538 A 1 c
ATOM 1758 H  HA   . PHE Axp A 110 ? 5.406  7.148   100.405 1   102.666 ? 538 A 1 c
ATOM 1759 H  HB3  . PHE Axp A 110 ? 7.045  8.161   98.763  1   102.126 ? 538 A 1 c
ATOM 1760 H  HB2  . PHE Axp A 110 ? 7.315  6.66    98.37   1   101.886 ? 538 A 1 c
ATOM 1761 H  HD1  . PHE Axp A 110 ? 6.836  7.519   101.775 1   86.265  ? 538 A 1 c
ATOM 1762 H  HD2  . PHE Axp A 110 ? 9.645  6.799   98.992  1   82.745  ? 538 A 1 c
ATOM 1763 H  HE1  . PHE Axp A 110 ? 8.467  7.441   103.414 1   95.094  ? 538 A 1 c
ATOM 1764 H  HE2  . PHE Axp A 110 ? 11.269 6.719   100.636 1   82.931  ? 538 A 1 c
ATOM 1765 H  HZ   . PHE Axp A 110 ? 10.68  7.041   102.848 1   92.95   ? 538 A 1 c
ATOM 1766 N  N    . LYS Axp A 111 ? 4.354  7.094   97.366  1   119.498 ? 539 A 1 .
ATOM 1767 C  CA   . LYS Axp A 111 ? 3.518  7.709   96.344  1   117.464 ? 539 A 1 .
ATOM 1768 C  C    . LYS Axp A 111 ? 2.091  7.846   96.859  1   116.038 ? 539 A 1 .
ATOM 1769 O  O    . LYS Axp A 111 ? 1.327  8.672   96.376  1   136.797 ? 539 A 1 .
ATOM 1770 C  CB   . LYS Axp A 111 ? 3.541  6.924   95.022  1   118.273 ? 539 A 1 .
ATOM 1771 C  CG   . LYS Axp A 111 ? 4.76   7.177   94.139  1   124.675 ? 539 A 1 .
ATOM 1772 C  CD   . LYS Axp A 111 ? 5.026  6.191   93.006  1   136.212 ? 539 A 1 .
ATOM 1773 C  CE   . LYS Axp A 111 ? 4.163  6.295   91.788  1   140.119 ? 539 A 1 .
ATOM 1774 N  NZ   . LYS Axp A 111 ? 4.785  5.662   90.61   1   143.317 ? 539 A 1 .
ATOM 1775 H  H    . LYS Axp A 111 ? 4.698  6.264   97.197  1   117.714 ? 539 A 1 c
ATOM 1776 H  HA   . LYS Axp A 111 ? 3.872  8.617   96.168  1   117.741 ? 539 A 1 c
ATOM 1777 H  HB3  . LYS Axp A 111 ? 2.737  7.152   94.508  1   119.502 ? 539 A 1 c
ATOM 1778 H  HB2  . LYS Axp A 111 ? 3.5    5.965   95.225  1   119.508 ? 539 A 1 c
ATOM 1779 H  HG3  . LYS Axp A 111 ? 5.551  7.198   94.72   1   125.486 ? 539 A 1 c
ATOM 1780 H  HG2  . LYS Axp A 111 ? 4.668  8.074   93.751  1   125.652 ? 539 A 1 c
ATOM 1781 H  HD3  . LYS Axp A 111 ? 4.942  5.283   93.369  1   134.268 ? 539 A 1 c
ATOM 1782 H  HD2  . LYS Axp A 111 ? 5.962  6.299   92.73   1   133.841 ? 539 A 1 c
ATOM 1783 H  HE3  . LYS Axp A 111 ? 3.994  7.233   91.59   1   139.954 ? 539 A 1 c
ATOM 1784 H  HE2  . LYS Axp A 111 ? 3.306  5.864   91.961  1   139.954 ? 539 A 1 c
ATOM 1785 H  HZ1  . LYS Axp A 111 ? 5.484  5.143   90.859  1   142.337 ? 539 A 1 c
ATOM 1786 H  HZ2  . LYS Axp A 111 ? 5.082  6.303   90.043  1   142.328 ? 539 A 1 c
ATOM 1787 H  HZ3  . LYS Axp A 111 ? 4.174  5.149   90.182  1   142.328 ? 539 A 1 c
ATOM 1788 N  N    . LYS Axp A 112 ? 1.732  7.031   97.843  1   108.311 ? 540 A 1 .
ATOM 1789 C  CA   . LYS Axp A 112 ? 0.412  7.12    98.432  1   117.402 ? 540 A 1 .
ATOM 1790 C  C    . LYS Axp A 112 ? 0.585  7.592   99.859  1   118.539 ? 540 A 1 .
ATOM 1791 O  O    . LYS Axp A 112 ? 1.269  6.947   100.647 1   132.379 ? 540 A 1 .
ATOM 1792 C  CB   . LYS Axp A 112 ? -0.292 5.761   98.441  1   136.58  ? 540 A 1 .
ATOM 1793 C  CG   . LYS Axp A 112 ? 0.338  4.668   99.317  1   147.098 ? 540 A 1 .
ATOM 1794 C  CD   . LYS Axp A 112 ? -0.379 3.328   99.199  1   155.103 ? 540 A 1 .
ATOM 1795 C  CE   . LYS Axp A 112 ? 0.325  2.175   99.854  1   154.902 ? 540 A 1 .
ATOM 1796 N  NZ   . LYS Axp A 112 ? 0.254  2.245   101.312 1   152.338 ? 540 A 1 .
ATOM 1797 H  H    . LYS Axp A 112 ? 2.31   6.392   98.146  1   112.635 ? 540 A 1 c
ATOM 1798 H  HA   . LYS Axp A 112 ? -0.13  7.777   97.927  1   119.208 ? 540 A 1 c
ATOM 1799 H  HB3  . LYS Axp A 112 ? -0.329 5.428   97.519  1   134.186 ? 540 A 1 c
ATOM 1800 H  HB2  . LYS Axp A 112 ? -1.216 5.896   98.741  1   134.186 ? 540 A 1 c
ATOM 1801 H  HG3  . LYS Axp A 112 ? 0.312  4.956   100.253 1   146.028 ? 540 A 1 c
ATOM 1802 H  HG2  . LYS Axp A 112 ? 1.278  4.555   99.057  1   145.734 ? 540 A 1 c
ATOM 1803 H  HD3  . LYS Axp A 112 ? -0.5   3.122   98.247  1   153.2   ? 540 A 1 c
ATOM 1804 H  HD2  . LYS Axp A 112 ? -1.273 3.417   99.595  1   153.2   ? 540 A 1 c
ATOM 1805 H  HE3  . LYS Axp A 112 ? 1.261  2.171   99.583  1   154.336 ? 540 A 1 c
ATOM 1806 H  HE2  . LYS Axp A 112 ? -0.078 1.34    99.558  1   154.336 ? 540 A 1 c
ATOM 1807 H  HZ1  . LYS Axp A 112 ? -0.611 2.295   101.576 1   153.116 ? 540 A 1 c
ATOM 1808 H  HZ2  . LYS Axp A 112 ? 0.699  2.977   101.607 1   153.094 ? 540 A 1 c
ATOM 1809 H  HZ3  . LYS Axp A 112 ? 0.632  1.504   101.672 1   153.116 ? 540 A 1 c
ATOM 1810 N  N    . GLY Axp A 113 ? -0.048 8.709   100.189 1   130.691 ? 541 A 1 .
ATOM 1811 C  CA   . GLY Axp A 113 ? 0.041  9.193   101.549 1   136.34  ? 541 A 1 .
ATOM 1812 C  C    . GLY Axp A 113 ? 1.131  10.244  101.651 1   127.193 ? 541 A 1 .
ATOM 1813 O  O    . GLY Axp A 113 ? 1.84   10.543  100.688 1   104.206 ? 541 A 1 .
ATOM 1814 H  H    . GLY Axp A 113 ? -0.536 9.174   99.573  1   128.733 ? 541 A 1 c
ATOM 1815 H  HA3  . GLY Axp A 113 ? 0.238  8.444   102.159 1   132.806 ? 541 A 1 c
ATOM 1816 H  HA2  . GLY Axp A 113 ? -0.825 9.584   101.812 1   132.877 ? 541 A 1 c
ATOM 1817 N  N    . LYS Axp A 114 ? 1.191  10.831  102.836 1   130.505 ? 542 A 1 .
ATOM 1818 C  CA   . LYS Axp A 114 ? 1.928  12.06   103.032 1   170.585 ? 542 A 1 .
ATOM 1819 C  C    . LYS Axp A 114 ? 3.358  11.655  103.353 1   189.875 ? 542 A 1 .
ATOM 1820 O  O    . LYS Axp A 114 ? 4.287  12.427  103.118 1   254.712 ? 542 A 1 .
ATOM 1821 C  CB   . LYS Axp A 114 ? 1.247  12.919  104.109 1   187.373 ? 542 A 1 .
ATOM 1822 C  CG   . LYS Axp A 114 ? 1.328  14.446  103.944 1   180.051 ? 542 A 1 .
ATOM 1823 C  CD   . LYS Axp A 114 ? 2.712  15.1    104.018 1   163.311 ? 542 A 1 .
ATOM 1824 C  CE   . LYS Axp A 114 ? 3.261  15.331  105.39  1   139.361 ? 542 A 1 .
ATOM 1825 N  NZ   . LYS Axp A 114 ? 3.447  14.102  106.164 1   140.386 ? 542 A 1 .
ATOM 1826 H  H    . LYS Axp A 114 ? 0.751  10.46   103.546 1   138.487 ? 542 A 1 c
ATOM 1827 H  HA   . LYS Axp A 114 ? 1.927  12.567  102.18  1   167.141 ? 542 A 1 c
ATOM 1828 H  HB3  . LYS Axp A 114 ? 1.636  12.684  104.978 1   180.743 ? 542 A 1 c
ATOM 1829 H  HB2  . LYS Axp A 114 ? 0.299  12.671  104.14  1   180.869 ? 542 A 1 c
ATOM 1830 H  HG3  . LYS Axp A 114 ? 0.76   14.852  104.634 1   177.695 ? 542 A 1 c
ATOM 1831 H  HG2  . LYS Axp A 114 ? 0.927  14.675  103.077 1   177.695 ? 542 A 1 c
ATOM 1832 H  HD3  . LYS Axp A 114 ? 2.664  15.964  103.554 1   161.017 ? 542 A 1 c
ATOM 1833 H  HD2  . LYS Axp A 114 ? 3.345  14.545  103.517 1   161.513 ? 542 A 1 c
ATOM 1834 H  HE3  . LYS Axp A 114 ? 2.656  15.918  105.879 1   144.788 ? 542 A 1 c
ATOM 1835 H  HE2  . LYS Axp A 114 ? 4.119  15.785  105.316 1   144.788 ? 542 A 1 c
ATOM 1836 H  HZ1  . LYS Axp A 114 ? 3.767  13.445  105.63  1   140.709 ? 542 A 1 c
ATOM 1837 H  HZ2  . LYS Axp A 114 ? 2.655  13.844  106.519 1   140.498 ? 542 A 1 c
ATOM 1838 H  HZ3  . LYS Axp A 114 ? 4.031  14.245  106.838 1   140.301 ? 542 A 1 c
ATOM 1839 N  N    . SER Axp A 115 ? 3.53   10.404  103.814 1   144.187 ? 543 A 1 .
ATOM 1840 C  CA   . SER Axp A 115 ? 4.845  9.969   104.239 1   118.277 ? 543 A 1 .
ATOM 1841 C  C    . SER Axp A 115 ? 5.783  9.952   103.045 1   127.693 ? 543 A 1 .
ATOM 1842 O  O    . SER Axp A 115 ? 5.551  9.193   102.102 1   146.106 ? 543 A 1 .
ATOM 1843 C  CB   . SER Axp A 115 ? 4.821  8.66    104.869 1   102.806 ? 543 A 1 .
ATOM 1844 O  OG   . SER Axp A 115 ? 6.128  8.397   105.359 0.1 105.374 ? 543 A 1 .
ATOM 1845 H  H    . SER Axp A 115 ? 2.827  9.823   103.874 1   146.71  ? 543 A 1 c
ATOM 1846 H  HA   . SER Axp A 115 ? 5.188  10.624  104.898 1   121.901 ? 543 A 1 c
ATOM 1847 H  HB3  . SER Axp A 115 ? 4.564  7.98    104.218 1   107.132 ? 543 A 1 c
ATOM 1848 H  HB2  . SER Axp A 115 ? 4.181  8.657   105.605 1   106.91  ? 543 A 1 c
ATOM 1849 H  HG   . SER Axp A 115 ? 6.052  7.472   105.71  0   127.95  ? 543 A 1 c
ATOM 1850 N  N    . HIS Axp A 116 ? 6.777  10.856  103.087 1   117.293 ? 544 A 1 .
ATOM 1851 C  CA   . HIS Axp A 116 ? 7.894  10.853  102.157 1   120.487 ? 544 A 1 .
ATOM 1852 C  C    . HIS Axp A 116 ? 9.175  10.601  102.949 1   98.571  ? 544 A 1 .
ATOM 1853 O  O    . HIS Axp A 116 ? 10.298 10.734  102.462 1   94.496  ? 544 A 1 .
ATOM 1854 C  CB   . HIS Axp A 116 ? 7.921  12.157  101.347 1   131.426 ? 544 A 1 .
ATOM 1855 C  CG   . HIS Axp A 116 ? 6.818  12.285  100.368 1   124.14  ? 544 A 1 .
ATOM 1856 N  ND1  . HIS Axp A 116 ? 5.939  11.265  100.048 1   150.631 ? 544 A 1 .
ATOM 1857 C  CD2  . HIS Axp A 116 ? 6.451  13.35   99.671  1   133.17  ? 544 A 1 .
ATOM 1858 C  CE1  . HIS Axp A 116 ? 5.078  11.708  99.148  1   166.832 ? 544 A 1 .
ATOM 1859 N  NE2  . HIS Axp A 116 ? 5.37   12.974  98.907  1   190.116 ? 544 A 1 .
ATOM 1860 H  H    . HIS Axp A 116 ? 6.736  11.524  103.71  1   120.248 ? 544 A 1 c
ATOM 1861 H  HA   . HIS Axp A 116 ? 7.773  10.101  101.528 1   117.453 ? 544 A 1 c
ATOM 1862 H  HB3  . HIS Axp A 116 ? 8.778  12.218  100.873 1   126.72  ? 544 A 1 c
ATOM 1863 H  HB2  . HIS Axp A 116 ? 7.869  12.909  101.972 1   127.704 ? 544 A 1 c
ATOM 1864 H  HD1  . HIS Axp A 116 ? 5.908  10.352  100.352 0   117.59  ? 544 A 1 c
ATOM 1865 H  HD2  . HIS Axp A 116 ? 6.857  14.195  99.676  1   142.157 ? 544 A 1 c
ATOM 1866 H  HE1  . HIS Axp A 116 ? 4.376  11.218  98.758  1   166.851 ? 544 A 1 c
ATOM 1867 H  HE2  . HIS Axp A 116 ? 4.882  13.281  98.15   0   119.63  ? 544 A 1 c
ATOM 1868 N  N    . LEU Axp A 117 ? 8.981  10.218  104.203 1   110.091 ? 545 A 1 .
ATOM 1869 C  CA   . LEU Axp A 117 ? 10.086 9.861   105.075 1   120.426 ? 545 A 1 .
ATOM 1870 C  C    . LEU Axp A 117 ? 9.691  8.624   105.874 1   107.684 ? 545 A 1 .
ATOM 1871 O  O    . LEU Axp A 117 ? 8.591  8.558   106.422 1   103.734 ? 545 A 1 .
ATOM 1872 C  CB   . LEU Axp A 117 ? 10.378 11.055  105.984 1   118.641 ? 545 A 1 .
ATOM 1873 C  CG   . LEU Axp A 117 ? 11.635 10.982  106.854 1   104.629 ? 545 A 1 .
ATOM 1874 C  CD1  . LEU Axp A 117 ? 12.149 12.39   107.137 1   106.25  ? 545 A 1 .
ATOM 1875 C  CD2  . LEU Axp A 117 ? 11.361 10.259  108.144 1   104.843 ? 545 A 1 .
ATOM 1876 H  H    . LEU Axp A 117 ? 8.132  10.166  104.536 1   109.755 ? 545 A 1 c
ATOM 1877 H  HA   . LEU Axp A 117 ? 10.883 9.659   104.525 1   114.602 ? 545 A 1 c
ATOM 1878 H  HB3  . LEU Axp A 117 ? 9.599  11.186  106.573 1   115.583 ? 545 A 1 c
ATOM 1879 H  HB2  . LEU Axp A 117 ? 10.442 11.857  105.417 1   115.859 ? 545 A 1 c
ATOM 1880 H  HG   . LEU Axp A 117 ? 12.334 10.484  106.357 1   107.421 ? 545 A 1 c
ATOM 1881 H  HD11 . LEU Axp A 117 ? 12.385 12.824  106.3   1   105.837 ? 545 A 1 c
ATOM 1882 H  HD12 . LEU Axp A 117 ? 12.935 12.342  107.707 1   105.78  ? 545 A 1 c
ATOM 1883 H  HD13 . LEU Axp A 117 ? 11.457 12.905  107.584 1   105.785 ? 545 A 1 c
ATOM 1884 H  HD21 . LEU Axp A 117 ? 11.343 9.301   107.983 1   104.834 ? 545 A 1 c
ATOM 1885 H  HD22 . LEU Axp A 117 ? 10.504 10.543  108.503 1   104.941 ? 545 A 1 c
ATOM 1886 H  HD23 . LEU Axp A 117 ? 12.062 10.463  108.786 1   104.835 ? 545 A 1 c
ATOM 1887 N  N    . ALA Axp A 118 ? 10.587 7.64    105.913 1   92.255  ? 546 A 1 .
ATOM 1888 C  CA   . ALA Axp A 118 ? 10.304 6.426   106.654 1   98.983  ? 546 A 1 .
ATOM 1889 C  C    . ALA Axp A 118 ? 11.467 6.113   107.589 1   101.403 ? 546 A 1 .
ATOM 1890 O  O    . ALA Axp A 118 ? 12.631 6.385   107.28  1   100.146 ? 546 A 1 .
ATOM 1891 C  CB   . ALA Axp A 118 ? 9.995  5.269   105.715 1   97.931  ? 546 A 1 .
ATOM 1892 H  H    . ALA Axp A 118 ? 11.385 7.722   105.475 1   97.533  ? 546 A 1 c
ATOM 1893 H  HA   . ALA Axp A 118 ? 9.501  6.593   107.219 1   97.933  ? 546 A 1 c
ATOM 1894 H  HB3  . ALA Axp A 118 ? 9.885  4.451   106.229 1   98.228  ? 546 A 1 c
ATOM 1895 H  HB2  . ALA Axp A 118 ? 10.725 5.156   105.084 1   98.152  ? 546 A 1 c
ATOM 1896 H  HB1  . ALA Axp A 118 ? 9.175  5.454   105.227 1   98.266  ? 546 A 1 c
ATOM 1897 N  N    . ILE Axp A 119 ? 11.103 5.547   108.744 1   95.188  ? 547 A 1 .
ATOM 1898 C  CA   . ILE Axp A 119 ? 12.081 5.123   109.725 1   104.805 ? 547 A 1 .
ATOM 1899 C  C    . ILE Axp A 119 ? 12.326 3.624   109.593 1   95.328  ? 547 A 1 .
ATOM 1900 O  O    . ILE Axp A 119 ? 11.401 2.821   109.629 1   84.456  ? 547 A 1 .
ATOM 1901 C  CB   . ILE Axp A 119 ? 11.635 5.505   111.139 1   92.533  ? 547 A 1 .
ATOM 1902 C  CG1  . ILE Axp A 119 ? 11.366 7.005   111.229 1   86.774  ? 547 A 1 .
ATOM 1903 C  CG2  . ILE Axp A 119 ? 12.677 5.026   112.148 1   82.439  ? 547 A 1 .
ATOM 1904 C  CD1  . ILE Axp A 119 ? 10.446 7.39    112.366 1   91.818  ? 547 A 1 .
ATOM 1905 H  H    . ILE Axp A 119 ? 10.216 5.419   108.924 1   98.754  ? 547 A 1 c
ATOM 1906 H  HA   . ILE Axp A 119 ? 12.919 5.59    109.541 1   98.765  ? 547 A 1 c
ATOM 1907 H  HB   . ILE Axp A 119 ? 10.796 5.038   111.325 1   91.586  ? 547 A 1 c
ATOM 1908 H  HG12 . ILE Axp A 119 ? 10.969 7.309   110.388 1   89.319  ? 547 A 1 c
ATOM 1909 H  HG13 . ILE Axp A 119 ? 12.22  7.471   111.343 1   89.225  ? 547 A 1 c
ATOM 1910 H  HG21 . ILE Axp A 119 ? 12.521 5.456   113.004 1   85.609  ? 547 A 1 c
ATOM 1911 H  HG22 . ILE Axp A 119 ? 13.568 5.252   111.831 1   85.468  ? 547 A 1 c
ATOM 1912 H  HG23 . ILE Axp A 119 ? 12.609 4.062   112.257 1   85.427  ? 547 A 1 c
ATOM 1913 H  HD11 . ILE Axp A 119 ? 9.547  7.054   112.186 1   90.4    ? 547 A 1 c
ATOM 1914 H  HD12 . ILE Axp A 119 ? 10.419 8.362   112.447 1   90.763  ? 547 A 1 c
ATOM 1915 H  HD13 . ILE Axp A 119 ? 10.775 7.004   113.2   1   90.374  ? 547 A 1 c
ATOM 1916 N  N    . VAL Axp A 120 ? 13.605 3.283   109.429 1   93.966  ? 548 A 1 .
ATOM 1917 C  CA   . VAL Axp A 120 ? 14.006 1.927   109.124 1   105.161 ? 548 A 1 .
ATOM 1918 C  C    . VAL Axp A 120 ? 14.315 1.243   110.449 1   122.248 ? 548 A 1 .
ATOM 1919 O  O    . VAL Axp A 120 ? 14.982 1.84    111.29  1   117.592 ? 548 A 1 .
ATOM 1920 C  CB   . VAL Axp A 120 ? 15.228 1.883   108.187 1   107.071 ? 548 A 1 .
ATOM 1921 C  CG1  . VAL Axp A 120 ? 15.667 0.449   107.913 1   114.397 ? 548 A 1 .
ATOM 1922 C  CG2  . VAL Axp A 120 ? 14.971 2.625   106.883 1   107.378 ? 548 A 1 .
ATOM 1923 H  H    . VAL Axp A 120 ? 14.253 3.921   109.514 1   96.804  ? 548 A 1 c
ATOM 1924 H  HA   . VAL Axp A 120 ? 13.263 1.467   108.693 1   106.297 ? 548 A 1 c
ATOM 1925 H  HB   . VAL Axp A 120 ? 15.968 2.34    108.652 1   108.096 ? 548 A 1 c
ATOM 1926 H  HG11 . VAL Axp A 120 ? 14.884 -0.126  107.858 1   112.162 ? 548 A 1 c
ATOM 1927 H  HG12 . VAL Axp A 120 ? 16.242 0.142   108.633 1   112.293 ? 548 A 1 c
ATOM 1928 H  HG13 . VAL Axp A 120 ? 16.154 0.411   107.072 1   112.145 ? 548 A 1 c
ATOM 1929 H  HG21 . VAL Axp A 120 ? 15.753 2.556   106.31  1   107.303 ? 548 A 1 c
ATOM 1930 H  HG22 . VAL Axp A 120 ? 14.79  3.561   107.071 1   107.217 ? 548 A 1 c
ATOM 1931 H  HG23 . VAL Axp A 120 ? 14.204 2.232   106.432 1   107.276 ? 548 A 1 c
ATOM 1932 N  N    . GLN Axp A 121 ? 13.861 -0.014  110.6   1   137.886 ? 549 A 1 .
ATOM 1933 C  CA   . GLN Axp A 121 ? 14.084 -0.776  111.821 1   123.153 ? 549 A 1 .
ATOM 1934 C  C    . GLN Axp A 121 ? 14.207 -2.276  111.537 1   129.921 ? 549 A 1 .
ATOM 1935 O  O    . GLN Axp A 121 ? 13.765 -2.743  110.498 1   114.713 ? 549 A 1 .
ATOM 1936 C  CB   . GLN Axp A 121 ? 12.957 -0.463  112.805 1   117.901 ? 549 A 1 .
ATOM 1937 C  CG   . GLN Axp A 121 ? 11.592 -1.038  112.439 1   118.618 ? 549 A 1 .
ATOM 1938 C  CD   . GLN Axp A 121 ? 10.526 -0.703  113.463 1   138.805 ? 549 A 1 .
ATOM 1939 O  OE1  . GLN Axp A 121 ? 10.757 0.002   114.454 1   148.057 ? 549 A 1 .
ATOM 1940 N  NE2  . GLN Axp A 121 ? 9.324  -1.2    113.221 1   156.811 ? 549 A 1 .
ATOM 1941 H  H    . GLN Axp A 121 ? 13.397 -0.407  109.918 1   130.192 ? 549 A 1 c
ATOM 1942 H  HA   . GLN Axp A 121 ? 14.935 -0.469  112.219 1   126.131 ? 549 A 1 c
ATOM 1943 H  HB3  . GLN Axp A 121 ? 12.877 0.511   112.881 1   119.415 ? 549 A 1 c
ATOM 1944 H  HB2  . GLN Axp A 121 ? 13.215 -0.806  113.686 1   119.404 ? 549 A 1 c
ATOM 1945 H  HG3  . GLN Axp A 121 ? 11.658 -2.013  112.362 1   122.853 ? 549 A 1 c
ATOM 1946 H  HG2  . GLN Axp A 121 ? 11.316 -0.686  111.565 1   122.817 ? 549 A 1 c
ATOM 1947 H  HE21 . GLN Axp A 121 ? 8.604  -0.787  113.535 1   150.948 ? 549 A 1 c
ATOM 1948 H  HE22 . GLN Axp A 121 ? 9.239  -1.945  112.746 1   150.767 ? 549 A 1 c
ATOM 1949 N  N    . ARG Axp A 122 ? 14.797 -3.02   112.491 1   144.75  ? 550 A 1 .
ATOM 1950 C  CA   . ARG Axp A 122 ? 14.987 -4.462  112.378 1   142.734 ? 550 A 1 .
ATOM 1951 C  C    . ARG Axp A 122 ? 14.617 -5.168  113.691 1   153.16  ? 550 A 1 .
ATOM 1952 O  O    . ARG Axp A 122 ? 14.603 -4.564  114.761 1   113.603 ? 550 A 1 .
ATOM 1953 C  CB   . ARG Axp A 122 ? 16.429 -4.789  111.955 1   137.789 ? 550 A 1 .
ATOM 1954 C  CG   . ARG Axp A 122 ? 17.514 -4.718  113.027 1   145.241 ? 550 A 1 .
ATOM 1955 C  CD   . ARG Axp A 122 ? 18.76  -5.568  112.71  1   141.162 ? 550 A 1 .
ATOM 1956 N  NE   . ARG Axp A 122 ? 19.517 -5.827  113.943 1   179.489 ? 550 A 1 .
ATOM 1957 C  CZ   . ARG Axp A 122 ? 19.512 -6.932  114.72  1   195.99  ? 550 A 1 .
ATOM 1958 N  NH1  . ARG Axp A 122 ? 18.773 -7.982  114.426 1   200.048 ? 550 A 1 .
ATOM 1959 N  NH2  . ARG Axp A 122 ? 20.25  -6.995  115.815 1   192.587 ? 550 A 1 .
ATOM 1960 H  H    . ARG Axp A 122 ? 15.094 -2.604  113.248 1   140.454 ? 550 A 1 c
ATOM 1961 H  HA   . ARG Axp A 122 ? 14.38  -4.798  111.67  1   143.909 ? 550 A 1 c
ATOM 1962 H  HB3  . ARG Axp A 122 ? 16.676 -4.176  111.231 1   140.488 ? 550 A 1 c
ATOM 1963 H  HB2  . ARG Axp A 122 ? 16.431 -5.695  111.578 1   140.632 ? 550 A 1 c
ATOM 1964 H  HG3  . ARG Axp A 122 ? 17.141 -5.017  113.885 1   142.619 ? 550 A 1 c
ATOM 1965 H  HG2  . ARG Axp A 122 ? 17.79  -3.782  113.138 1   142.433 ? 550 A 1 c
ATOM 1966 H  HD3  . ARG Axp A 122 ? 19.331 -5.092  112.072 1   150.412 ? 550 A 1 c
ATOM 1967 H  HD2  . ARG Axp A 122 ? 18.491 -6.418  112.307 1   150.538 ? 550 A 1 c
ATOM 1968 H  HE   . ARG Axp A 122 ? 20.04  -5.185  114.214 1   173.504 ? 550 A 1 c
ATOM 1969 H  HH11 . ARG Axp A 122 ? 17.937 -7.872  114.161 1   198.22  ? 550 A 1 c
ATOM 1970 H  HH12 . ARG Axp A 122 ? 19.117 -8.794  114.494 1   198.656 ? 550 A 1 c
ATOM 1971 H  HH21 . ARG Axp A 122 ? 20.974 -6.493  115.889 1   193.243 ? 550 A 1 c
ATOM 1972 H  HH22 . ARG Axp A 122 ? 20.017 -7.541  116.465 1   192.707 ? 550 A 1 c
ATOM 1973 N  N    . VAL Axp A 123 ? 14.371 -6.485  113.602 1   172.896 ? 551 A 1 .
ATOM 1974 C  CA   . VAL Axp A 123 ? 14.03  -7.328  114.742 1   169.562 ? 551 A 1 .
ATOM 1975 C  C    . VAL Axp A 123 ? 15.308 -7.869  115.387 1   167.553 ? 551 A 1 .
ATOM 1976 O  O    . VAL Axp A 123 ? 16.077 -8.549  114.72  1   162.814 ? 551 A 1 .
ATOM 1977 C  CB   . VAL Axp A 123 ? 13.151 -8.508  114.283 1   179.378 ? 551 A 1 .
ATOM 1978 C  CG1  . VAL Axp A 123 ? 12.583 -9.281  115.473 1   208.342 ? 551 A 1 .
ATOM 1979 C  CG2  . VAL Axp A 123 ? 12.054 -8.07   113.318 1   177.875 ? 551 A 1 .
ATOM 1980 H  H    . VAL Axp A 123 ? 14.43  -6.878  112.779 1   166.999 ? 551 A 1 c
ATOM 1981 H  HA   . VAL Axp A 123 ? 13.537 -6.798  115.395 1   170.892 ? 551 A 1 c
ATOM 1982 H  HB   . VAL Axp A 123 ? 13.738 -9.128  113.789 1   182.081 ? 551 A 1 c
ATOM 1983 H  HG11 . VAL Axp A 123 ? 12.168 -8.66   116.095 1   199.289 ? 551 A 1 c
ATOM 1984 H  HG12 . VAL Axp A 123 ? 13.3   -9.759  115.923 1   199.162 ? 551 A 1 c
ATOM 1985 H  HG13 . VAL Axp A 123 ? 11.918 -9.918  115.161 1   199.165 ? 551 A 1 c
ATOM 1986 H  HG21 . VAL Axp A 123 ? 11.283 -8.654  113.412 1   178.594 ? 551 A 1 c
ATOM 1987 H  HG22 . VAL Axp A 123 ? 12.386 -8.119  112.406 1   178.351 ? 551 A 1 c
ATOM 1988 H  HG23 . VAL Axp A 123 ? 11.793 -7.156  113.517 1   178.217 ? 551 A 1 c
ATOM 1989 N  N    . ASN Axp A 124 ? 15.516 -7.63   116.688 1   163.413 ? 552 A 1 .
ATOM 1990 C  CA   . ASN Axp A 124 ? 16.704 -8.14   117.363 1   165.502 ? 552 A 1 .
ATOM 1991 C  C    . ASN Axp A 124 ? 16.433 -9.5    118.006 1   188.38  ? 552 A 1 .
ATOM 1992 O  O    . ASN Axp A 124 ? 15.912 -9.567  119.117 1   180.076 ? 552 A 1 .
ATOM 1993 C  CB   . ASN Axp A 124 ? 17.227 -7.175  118.417 1   153.233 ? 552 A 1 .
ATOM 1994 C  CG   . ASN Axp A 124 ? 18.61  -7.554  118.899 1   168.264 ? 552 A 1 .
ATOM 1995 O  OD1  . ASN Axp A 124 ? 18.832 -8.673  119.38  1   201.144 ? 552 A 1 .
ATOM 1996 N  ND2  . ASN Axp A 124 ? 19.55  -6.628  118.811 1   152.678 ? 552 A 1 .
ATOM 1997 H  H    . ASN Axp A 124 ? 14.908 -7.143  117.165 1   164.774 ? 552 A 1 c
ATOM 1998 H  HA   . ASN Axp A 124 ? 17.415 -8.251  116.693 1   167.102 ? 552 A 1 c
ATOM 1999 H  HB3  . ASN Axp A 124 ? 16.614 -7.165  119.177 1   160.095 ? 552 A 1 c
ATOM 2000 H  HB2  . ASN Axp A 124 ? 17.254 -6.274  118.039 1   159.419 ? 552 A 1 c
ATOM 2001 H  HD21 . ASN Axp A 124 ? 20.241 -6.648  119.366 1   157.708 ? 552 A 1 c
ATOM 2002 H  HD22 . ASN Axp A 124 ? 19.491 -5.988  118.199 1   157.818 ? 552 A 1 c
ATOM 2003 N  N    . ASN Axp A 125 ? 16.84  -10.58  117.324 1   196.846 ? 553 A 1 .
ATOM 2004 C  CA   . ASN Axp A 125 ? 16.689 -11.929 117.851 1   187.164 ? 553 A 1 .
ATOM 2005 C  C    . ASN Axp A 125 ? 17.893 -12.334 118.697 1   196.036 ? 553 A 1 .
ATOM 2006 O  O    . ASN Axp A 125 ? 17.99  -13.497 119.071 1   208.802 ? 553 A 1 .
ATOM 2007 C  CB   . ASN Axp A 125 ? 16.54  -12.982 116.758 1   173.333 ? 553 A 1 .
ATOM 2008 C  CG   . ASN Axp A 125 ? 15.24  -12.86  116.002 1   197.88  ? 553 A 1 .
ATOM 2009 O  OD1  . ASN Axp A 125 ? 14.178 -12.622 116.595 1   190.42  ? 553 A 1 .
ATOM 2010 N  ND2  . ASN Axp A 125 ? 15.309 -13.025 114.689 1   204.686 ? 553 A 1 .
ATOM 2011 H  H    . ASN Axp A 125 ? 17.222 -10.471 116.501 1   192.161 ? 553 A 1 c
ATOM 2012 H  HA   . ASN Axp A 125 ? 15.882 -11.961 118.412 1   187.891 ? 553 A 1 c
ATOM 2013 H  HB3  . ASN Axp A 125 ? 16.588 -13.872 117.159 1   182.11  ? 553 A 1 c
ATOM 2014 H  HB2  . ASN Axp A 125 ? 17.284 -12.896 116.129 1   182.02  ? 553 A 1 c
ATOM 2015 H  HD21 . ASN Axp A 125 ? 14.828 -12.508 114.152 1   202.517 ? 553 A 1 c
ATOM 2016 H  HD22 . ASN Axp A 125 ? 15.835 -13.653 114.348 1   202.354 ? 553 A 1 c
ATOM 2017 N  N    . GLU Axp A 126 ? 18.8   -11.389 118.99  1   202.112 ? 554 A 1 .
ATOM 2018 C  CA   . GLU Axp A 126 ? 19.987 -11.676 119.784 1   183.498 ? 554 A 1 .
ATOM 2019 C  C    . GLU Axp A 126 ? 19.676 -11.415 121.253 1   191.723 ? 554 A 1 .
ATOM 2020 O  O    . GLU Axp A 126 ? 20.552 -10.981 121.998 1   169.492 ? 554 A 1 .
ATOM 2021 C  CB   . GLU Axp A 126 ? 21.229 -10.903 119.332 1   158.955 ? 554 A 1 .
ATOM 2022 C  CG   . GLU Axp A 126 ? 21.503 -11.033 117.834 1   166.928 ? 554 A 1 .
ATOM 2023 C  CD   . GLU Axp A 126 ? 20.672 -10.098 116.958 1   170.008 ? 554 A 1 .
ATOM 2024 O  OE1  . GLU Axp A 126 ? 20.923 -8.878  116.995 1   179.919 ? 554 A 1 .
ATOM 2025 O  OE2  . GLU Axp A 126 ? 19.753 -10.566 116.258 1   135.764 ? 554 A 1 .
ATOM 2026 H  H    . GLU Axp A 126 ? 18.67  -10.534 118.697 1   196.039 ? 554 A 1 c
ATOM 2027 H  HA   . GLU Axp A 126 ? 20.194 -12.64  119.684 1   183.756 ? 554 A 1 c
ATOM 2028 H  HB3  . GLU Axp A 126 ? 22.007 -11.237 119.826 1   166.12  ? 554 A 1 c
ATOM 2029 H  HB2  . GLU Axp A 126 ? 21.115 -9.957  119.559 1   166.27  ? 554 A 1 c
ATOM 2030 H  HG3  . GLU Axp A 126 ? 21.325 -11.957 117.557 1   165.573 ? 554 A 1 c
ATOM 2031 H  HG2  . GLU Axp A 126 ? 22.452 -10.853 117.667 1   165.736 ? 554 A 1 c
ATOM 2032 N  N    . GLY Axp A 127 ? 18.425 -11.69  121.653 1   209.119 ? 555 A 1 .
ATOM 2033 C  CA   . GLY Axp A 127 ? 18.081 -11.814 123.056 1   219.356 ? 555 A 1 .
ATOM 2034 C  C    . GLY Axp A 127 ? 18.675 -13.103 123.624 1   213.376 ? 555 A 1 .
ATOM 2035 O  O    . GLY Axp A 127 ? 18.726 -14.099 122.908 1   151.324 ? 555 A 1 .
ATOM 2036 H  H    . GLY Axp A 127 ? 17.763 -11.795 121.033 1   206.786 ? 555 A 1 c
ATOM 2037 H  HA3  . GLY Axp A 127 ? 17.1   -11.829 123.151 1   215.264 ? 555 A 1 c
ATOM 2038 H  HA2  . GLY Axp A 127 ? 18.423 -11.035 123.541 1   214.101 ? 555 A 1 c
ATOM 2039 N  N    . GLU Axp A 128 ? 19.097 -13.119 124.902 1   220.073 ? 556 A 1 .
ATOM 2040 C  CA   . GLU Axp A 128 ? 18.994 -12.033 125.875 1   197.022 ? 556 A 1 .
ATOM 2041 C  C    . GLU Axp A 128 ? 17.523 -11.648 126.096 1   196.936 ? 556 A 1 .
ATOM 2042 O  O    . GLU Axp A 128 ? 17.179 -10.473 126.261 1   170.672 ? 556 A 1 .
ATOM 2043 C  CB   . GLU Axp A 128 ? 20.002 -10.928 125.543 1   162.357 ? 556 A 1 .
ATOM 2044 C  CG   . GLU Axp A 128 ? 21.426 -11.447 125.376 0.1 143.212 ? 556 A 1 .
ATOM 2045 C  CD   . GLU Axp A 128 ? 22.468 -10.377 125.111 0.1 127.572 ? 556 A 1 .
ATOM 2046 O  OE1  . GLU Axp A 128 ? 22.117 -9.188  124.975 0.1 117.639 ? 556 A 1 .
ATOM 2047 O  OE2  . GLU Axp A 128 ? 23.656 -10.747 125.063 0.1 119.245 ? 556 A 1 .
ATOM 2048 H  H    . GLU Axp A 128 ? 19.489 -13.893 125.189 1   212.475 ? 556 A 1 c
ATOM 2049 H  HA   . GLU Axp A 128 ? 19.311 -12.401 126.739 1   193.998 ? 556 A 1 c
ATOM 2050 H  HB3  . GLU Axp A 128 ? 19.992 -10.268 126.267 1   164.703 ? 556 A 1 c
ATOM 2051 H  HB2  . GLU Axp A 128 ? 19.728 -10.471 124.724 1   165.428 ? 556 A 1 c
ATOM 2052 H  HG3  . GLU Axp A 128 ? 21.446 -12.086 124.633 0.1 143.826 ? 556 A 1 c
ATOM 2053 H  HG2  . GLU Axp A 128 ? 21.682 -11.934 126.188 0.1 143.55  ? 556 A 1 c
ATOM 2054 N  N    . GLY Axp A 129 ? 16.67  -12.683 126.17  1   202.541 ? 557 A 1 .
ATOM 2055 C  CA   . GLY Axp A 129 ? 15.254 -12.541 126.465 1   202.649 ? 557 A 1 .
ATOM 2056 C  C    . GLY Axp A 129 ? 14.473 -12.071 125.244 1   213.732 ? 557 A 1 .
ATOM 2057 O  O    . GLY Axp A 129 ? 14.543 -12.682 124.181 1   210.462 ? 557 A 1 .
ATOM 2058 H  H    . GLY Axp A 129 ? 16.996 -13.526 126.034 1   201.321 ? 557 A 1 c
ATOM 2059 H  HA3  . GLY Axp A 129 ? 15.142 -11.897 127.202 1   205.059 ? 557 A 1 c
ATOM 2060 H  HA2  . GLY Axp A 129 ? 14.901 -13.411 126.766 1   205.046 ? 557 A 1 c
ATOM 2061 N  N    . ASP Axp A 130 ? 13.741 -10.967 125.429 1   228.024 ? 558 A 1 .
ATOM 2062 C  CA   . ASP Axp A 130 ? 12.845 -10.436 124.423 1   218.253 ? 558 A 1 .
ATOM 2063 C  C    . ASP Axp A 130 ? 13.601 -9.992  123.174 1   224.877 ? 558 A 1 .
ATOM 2064 O  O    . ASP Axp A 130 ? 14.597 -9.272  123.252 1   196.952 ? 558 A 1 .
ATOM 2065 C  CB   . ASP Axp A 130 ? 12.025 -9.296  124.997 1   195.915 ? 558 A 1 .
ATOM 2066 C  CG   . ASP Axp A 130 ? 10.941 -9.741  125.963 1   187.116 ? 558 A 1 .
ATOM 2067 O  OD1  . ASP Axp A 130 ? 10.702 -10.968 126.06  1   162.664 ? 558 A 1 .
ATOM 2068 O  OD2  . ASP Axp A 130 ? 10.353 -8.861  126.606 1   170.724 ? 558 A 1 .
ATOM 2069 H  H    . ASP Axp A 130 ? 13.808 -10.524 126.226 1   221.627 ? 558 A 1 c
ATOM 2070 H  HA   . ASP Axp A 130 ? 12.218 -11.148 124.174 1   216.352 ? 558 A 1 c
ATOM 2071 H  HB3  . ASP Axp A 130 ? 11.597 -8.809  124.262 1   198.856 ? 558 A 1 c
ATOM 2072 H  HB2  . ASP Axp A 130 ? 12.621 -8.674  125.465 1   198.866 ? 558 A 1 c
ATOM 2073 N  N    . PRO Axp A 131 ? 13.12  -10.403 121.978 1   227.866 ? 559 A 1 .
ATOM 2074 C  CA   . PRO Axp A 131 ? 13.47  -9.724  120.737 1   221.062 ? 559 A 1 .
ATOM 2075 C  C    . PRO Axp A 131 ? 12.872 -8.319  120.666 1   212.52  ? 559 A 1 .
ATOM 2076 O  O    . PRO Axp A 131 ? 11.746 -8.128  121.112 1   167.993 ? 559 A 1 .
ATOM 2077 C  CB   . PRO Axp A 131 ? 12.9   -10.645 119.651 1   199.681 ? 559 A 1 .
ATOM 2078 C  CG   . PRO Axp A 131 ? 12.531 -11.933 120.363 1   202.565 ? 559 A 1 .
ATOM 2079 C  CD   . PRO Axp A 131 ? 12.211 -11.538 121.761 1   211.565 ? 559 A 1 .
ATOM 2080 H  HA   . PRO Axp A 131 ? 14.441 -9.673  120.659 1   216.24  ? 559 A 1 c
ATOM 2081 H  HB3  . PRO Axp A 131 ? 13.565 -10.813 118.956 1   204.811 ? 559 A 1 c
ATOM 2082 H  HB2  . PRO Axp A 131 ? 12.112 -10.244 119.234 1   204.956 ? 559 A 1 c
ATOM 2083 H  HG3  . PRO Axp A 131 ? 13.278 -12.564 120.347 1   203.953 ? 559 A 1 c
ATOM 2084 H  HG2  . PRO Axp A 131 ? 11.756 -12.353 119.94  1   203.953 ? 559 A 1 c
ATOM 2085 H  HD3  . PRO Axp A 131 ? 11.279 -11.263 121.853 1   213.135 ? 559 A 1 c
ATOM 2086 H  HD2  . PRO Axp A 131 ? 12.401 -12.265 122.386 1   213.166 ? 559 A 1 c
ATOM 2087 N  N    . PHE Axp A 132 ? 13.608 -7.348  120.093 1   208.799 ? 560 A 1 .
ATOM 2088 C  CA   . PHE Axp A 132 ? 13.147 -5.963  120.011 1   181.736 ? 560 A 1 .
ATOM 2089 C  C    . PHE Axp A 132 ? 13.367 -5.365  118.615 1   176.345 ? 560 A 1 .
ATOM 2090 O  O    . PHE Axp A 132 ? 14.082 -5.923  117.786 1   144.834 ? 560 A 1 .
ATOM 2091 C  CB   . PHE Axp A 132 ? 13.833 -5.09   121.07  1   160.745 ? 560 A 1 .
ATOM 2092 C  CG   . PHE Axp A 132 ? 15.346 -4.939  120.93  1   180.879 ? 560 A 1 .
ATOM 2093 C  CD1  . PHE Axp A 132 ? 15.902 -3.909  120.173 1   176.231 ? 560 A 1 .
ATOM 2094 C  CD2  . PHE Axp A 132 ? 16.217 -5.819  121.566 1   199.427 ? 560 A 1 .
ATOM 2095 C  CE1  . PHE Axp A 132 ? 17.282 -3.766  120.061 1   158.399 ? 560 A 1 .
ATOM 2096 C  CE2  . PHE Axp A 132 ? 17.594 -5.668  121.45  1   182.026 ? 560 A 1 .
ATOM 2097 C  CZ   . PHE Axp A 132 ? 18.124 -4.648  120.693 1   156.326 ? 560 A 1 .
ATOM 2098 H  H    . PHE Axp A 132 ? 14.424 -7.56   119.738 1   203.055 ? 560 A 1 c
ATOM 2099 H  HA   . PHE Axp A 132 ? 12.171 -5.952  120.195 1   181.5   ? 560 A 1 c
ATOM 2100 H  HB3  . PHE Axp A 132 ? 13.638 -5.472  121.955 1   169.787 ? 560 A 1 c
ATOM 2101 H  HB2  . PHE Axp A 132 ? 13.426 -4.196  121.042 1   169.741 ? 560 A 1 c
ATOM 2102 H  HD1  . PHE Axp A 132 ? 15.333 -3.297  119.735 1   172.892 ? 560 A 1 c
ATOM 2103 H  HD2  . PHE Axp A 132 ? 15.866 -6.522  122.089 1   190.087 ? 560 A 1 c
ATOM 2104 H  HE1  . PHE Axp A 132 ? 17.64  -3.065  119.54  1   162.28  ? 560 A 1 c
ATOM 2105 H  HE2  . PHE Axp A 132 ? 18.169 -6.277  121.885 1   179.153 ? 560 A 1 c
ATOM 2106 H  HZ   . PHE Axp A 132 ? 19.059 -4.552  120.613 1   162.907 ? 560 A 1 c
ATOM 2107 N  N    . TYR Axp A 133 ? 12.737 -4.202  118.374 1   169.071 ? 561 A 1 .
ATOM 2108 C  CA   . TYR Axp A 133 ? 12.883 -3.444  117.137 1   131.453 ? 561 A 1 .
ATOM 2109 C  C    . TYR Axp A 133 ? 13.992 -2.404  117.248 1   123.587 ? 561 A 1 .
ATOM 2110 O  O    . TYR Axp A 133 ? 13.929 -1.513  118.084 1   146.188 ? 561 A 1 .
ATOM 2111 C  CB   . TYR Axp A 133 ? 11.59  -2.695  116.818 1   138.678 ? 561 A 1 .
ATOM 2112 C  CG   . TYR Axp A 133 ? 10.483 -3.613  116.332 1   157.567 ? 561 A 1 .
ATOM 2113 C  CD1  . TYR Axp A 133 ? 10.78  -4.741  115.567 1   166.579 ? 561 A 1 .
ATOM 2114 C  CD2  . TYR Axp A 133 ? 9.157  -3.377  116.676 1   144.294 ? 561 A 1 .
ATOM 2115 C  CE1  . TYR Axp A 133 ? 9.784  -5.595  115.137 1   166.737 ? 561 A 1 .
ATOM 2116 C  CE2  . TYR Axp A 133 ? 8.149  -4.22   116.237 1   151.647 ? 561 A 1 .
ATOM 2117 C  CZ   . TYR Axp A 133 ? 8.468  -5.324  115.46  1   166.977 ? 561 A 1 .
ATOM 2118 O  OH   . TYR Axp A 133 ? 7.515  -6.184  115.003 1   163.305 ? 561 A 1 .
ATOM 2119 H  H    . TYR Axp A 133 ? 12.187 -3.866  119.022 1   161.291 ? 561 A 1 c
ATOM 2120 H  HA   . TYR Axp A 133 ? 13.093 -4.066  116.399 1   138.122 ? 561 A 1 c
ATOM 2121 H  HB3  . TYR Axp A 133 ? 11.776 -2.023  116.124 1   140.979 ? 561 A 1 c
ATOM 2122 H  HB2  . TYR Axp A 133 ? 11.287 -2.227  117.627 1   141.169 ? 561 A 1 c
ATOM 2123 H  HD1  . TYR Axp A 133 ? 11.675 -4.924  115.331 1   163.646 ? 561 A 1 c
ATOM 2124 H  HD2  . TYR Axp A 133 ? 8.937  -2.62   117.195 1   149.23  ? 561 A 1 c
ATOM 2125 H  HE1  . TYR Axp A 133 ? 9.995  -6.341  114.603 1   166.492 ? 561 A 1 c
ATOM 2126 H  HE2  . TYR Axp A 133 ? 7.252  -4.043  116.461 1   153.45  ? 561 A 1 c
ATOM 2127 H  HH   . TYR Axp A 133 ? 7.771  -6.649  114.593 0   154.66  ? 561 A 1 c
ATOM 2128 N  N    . GLU Axp A 134 ? 14.981 -2.492  116.361 1   130.171 ? 562 A 1 .
ATOM 2129 C  CA   . GLU Axp A 134 ? 16.152 -1.63   116.422 1   134.195 ? 562 A 1 .
ATOM 2130 C  C    . GLU Axp A 134 ? 16.153 -0.632  115.266 1   123.83  ? 562 A 1 .
ATOM 2131 O  O    . GLU Axp A 134 ? 16.244 -1.014  114.102 1   124.918 ? 562 A 1 .
ATOM 2132 C  CB   . GLU Axp A 134 ? 17.354 -2.563  116.319 1   143.915 ? 562 A 1 .
ATOM 2133 C  CG   . GLU Axp A 134 ? 18.701 -1.864  116.428 1   136.65  ? 562 A 1 .
ATOM 2134 C  CD   . GLU Axp A 134 ? 19.785 -2.863  116.115 1   136.874 ? 562 A 1 .
ATOM 2135 O  OE1  . GLU Axp A 134 ? 19.482 -4.075  116.173 1   135.889 ? 562 A 1 .
ATOM 2136 O  OE2  . GLU Axp A 134 ? 20.904 -2.424  115.784 1   172.278 ? 562 A 1 .
ATOM 2137 H  H    . GLU Axp A 134 ? 14.926 -3.109  115.69  1   129.817 ? 562 A 1 c
ATOM 2138 H  HA   . GLU Axp A 134 ? 16.164 -1.147  117.287 1   132.78  ? 562 A 1 c
ATOM 2139 H  HB3  . GLU Axp A 134 ? 17.308 -3.036  115.461 1   139.779 ? 562 A 1 c
ATOM 2140 H  HB2  . GLU Axp A 134 ? 17.288 -3.233  117.032 1   139.911 ? 562 A 1 c
ATOM 2141 H  HG3  . GLU Axp A 134 ? 18.826 -1.518  117.338 1   138.292 ? 562 A 1 c
ATOM 2142 H  HG2  . GLU Axp A 134 ? 18.748 -1.12   115.79  1   138.227 ? 562 A 1 c
ATOM 2143 N  N    . VAL Axp A 135 ? 16.067 0.656   115.598 1   108.359 ? 563 A 1 .
ATOM 2144 C  CA   . VAL Axp A 135 ? 16.081 1.72    114.603 1   86.164  ? 563 A 1 .
ATOM 2145 C  C    . VAL Axp A 135 ? 17.467 1.852   113.97  1   91.486  ? 563 A 1 .
ATOM 2146 O  O    . VAL Axp A 135 ? 18.479 1.915   114.663 1   107.64  ? 563 A 1 .
ATOM 2147 C  CB   . VAL Axp A 135 ? 15.677 3.044   115.275 1   77.347  ? 563 A 1 .
ATOM 2148 C  CG1  . VAL Axp A 135 ? 15.895 4.239   114.351 1   80.472  ? 563 A 1 .
ATOM 2149 C  CG2  . VAL Axp A 135 ? 14.257 2.99    115.832 1   66.376  ? 563 A 1 .
ATOM 2150 H  H    . VAL Axp A 135 ? 16.001 0.883   116.481 1   105.484 ? 563 A 1 c
ATOM 2151 H  HA   . VAL Axp A 135 ? 15.43  1.507   113.907 1   89.871  ? 563 A 1 c
ATOM 2152 H  HB   . VAL Axp A 135 ? 16.282 3.166   116.043 1   77.681  ? 563 A 1 c
ATOM 2153 H  HG11 . VAL Axp A 135 ? 15.672 3.99    113.438 1   79.696  ? 563 A 1 c
ATOM 2154 H  HG12 . VAL Axp A 135 ? 16.825 4.518   114.392 1   79.671  ? 563 A 1 c
ATOM 2155 H  HG13 . VAL Axp A 135 ? 15.327 4.976   114.631 1   79.796  ? 563 A 1 c
ATOM 2156 H  HG21 . VAL Axp A 135 ? 13.946 3.891   116.02  1   69.773  ? 563 A 1 c
ATOM 2157 H  HG22 . VAL Axp A 135 ? 14.249 2.468   116.651 1   69.709  ? 563 A 1 c
ATOM 2158 H  HG23 . VAL Axp A 135 ? 13.669 2.575   115.179 1   69.552  ? 563 A 1 c
ATOM 2159 N  N    . LEU Axp A 136 ? 17.508 1.913   112.639 1   98.793  ? 564 A 1 .
ATOM 2160 C  CA   . LEU Axp A 136 ? 18.774 1.912   111.917 1   103.02  ? 564 A 1 .
ATOM 2161 C  C    . LEU Axp A 136 ? 19.06  3.268   111.27  1   102.074 ? 564 A 1 .
ATOM 2162 O  O    . LEU Axp A 136 ? 20.206 3.687   111.172 1   98.156  ? 564 A 1 .
ATOM 2163 C  CB   . LEU Axp A 136 ? 18.752 0.795   110.876 1   100.731 ? 564 A 1 .
ATOM 2164 C  CG   . LEU Axp A 136 ? 18.472 -0.62   111.397 1   109.871 ? 564 A 1 .
ATOM 2165 C  CD1  . LEU Axp A 136 ? 18.458 -1.611  110.256 1   132.008 ? 564 A 1 .
ATOM 2166 C  CD2  . LEU Axp A 136 ? 19.463 -1.095  112.444 1   123.226 ? 564 A 1 .
ATOM 2167 H  H    . LEU Axp A 136 ? 16.728 1.946   112.163 1   97.776  ? 564 A 1 c
ATOM 2168 H  HA   . LEU Axp A 136 ? 19.499 1.726   112.565 1   101.753 ? 564 A 1 c
ATOM 2169 H  HB3  . LEU Axp A 136 ? 19.624 0.786   110.421 1   103.475 ? 564 A 1 c
ATOM 2170 H  HB2  . LEU Axp A 136 ? 18.069 1.017   110.202 1   103.305 ? 564 A 1 c
ATOM 2171 H  HG   . LEU Axp A 136 ? 17.57  -0.622  111.809 1   114.317 ? 564 A 1 c
ATOM 2172 H  HD11 . LEU Axp A 136 ? 17.814 -1.327  109.586 1   124.918 ? 564 A 1 c
ATOM 2173 H  HD12 . LEU Axp A 136 ? 18.211 -2.489  110.591 1   125.035 ? 564 A 1 c
ATOM 2174 H  HD13 . LEU Axp A 136 ? 19.342 -1.656  109.854 1   124.989 ? 564 A 1 c
ATOM 2175 H  HD21 . LEU Axp A 136 ? 19.357 -0.568  113.254 1   118.969 ? 564 A 1 c
ATOM 2176 H  HD22 . LEU Axp A 136 ? 20.368 -0.989  112.106 1   119.126 ? 564 A 1 c
ATOM 2177 H  HD23 . LEU Axp A 136 ? 19.3   -2.031  112.645 1   119.323 ? 564 A 1 c
ATOM 2178 N  N    . GLY Axp A 137 ? 18.029 3.947   110.782 1   102.462 ? 565 A 1 .
ATOM 2179 C  CA   . GLY Axp A 137 ? 18.237 5.207   110.104 1   91.675  ? 565 A 1 .
ATOM 2180 C  C    . GLY Axp A 137 ? 16.913 5.734   109.583 1   99.487  ? 565 A 1 .
ATOM 2181 O  O    . GLY Axp A 137 ? 15.845 5.285   110.008 1   97.94   ? 565 A 1 .
ATOM 2182 H  H    . GLY Axp A 137 ? 17.18  3.62    110.865 1   99.818  ? 565 A 1 c
ATOM 2183 H  HA3  . GLY Axp A 137 ? 18.863 5.075   109.354 1   95.852  ? 565 A 1 c
ATOM 2184 H  HA2  . GLY Axp A 137 ? 18.635 5.856   110.73  1   95.879  ? 565 A 1 c
ATOM 2185 N  N    . ILE Axp A 138 ? 17.025 6.684   108.65  1   110.723 ? 566 A 1 .
ATOM 2186 C  CA   . ILE Axp A 138 ? 15.884 7.21    107.921 1   97.678  ? 566 A 1 .
ATOM 2187 C  C    . ILE Axp A 138 ? 16.09  6.971   106.432 1   81.64   ? 566 A 1 .
ATOM 2188 O  O    . ILE Axp A 138 ? 17.207 6.921   105.922 1   72.991  ? 566 A 1 .
ATOM 2189 C  CB   . ILE Axp A 138 ? 15.684 8.702   108.202 1   89.882  ? 566 A 1 .
ATOM 2190 C  CG1  . ILE Axp A 138 ? 16.832 9.556   107.576 1   144.537 ? 566 A 1 .
ATOM 2191 C  CG2  . ILE Axp A 138 ? 15.54  8.902   109.696 1   66.116  ? 566 A 1 .
ATOM 2192 C  CD1  . ILE Axp A 138 ? 16.618 11.068  107.595 1   172.78  ? 566 A 1 .
ATOM 2193 H  H    . ILE Axp A 138 ? 17.854 7.019   108.461 1   105.122 ? 566 A 1 c
ATOM 2194 H  HA   . ILE Axp A 138 ? 15.083 6.732   108.207 1   95.239  ? 566 A 1 c
ATOM 2195 H  HB   . ILE Axp A 138 ? 14.845 8.975   107.779 1   94.001  ? 566 A 1 c
ATOM 2196 H  HG12 . ILE Axp A 138 ? 16.953 9.281   106.645 1   134.224 ? 566 A 1 c
ATOM 2197 H  HG13 . ILE Axp A 138 ? 17.663 9.354   108.05  1   134.622 ? 566 A 1 c
ATOM 2198 H  HG21 . ILE Axp A 138 ? 15.324 9.832   109.881 1   72.944  ? 566 A 1 c
ATOM 2199 H  HG22 . ILE Axp A 138 ? 16.373 8.672   110.14  1   72.841  ? 566 A 1 c
ATOM 2200 H  HG23 . ILE Axp A 138 ? 14.828 8.333   110.034 1   72.611  ? 566 A 1 c
ATOM 2201 H  HD11 . ILE Axp A 138 ? 15.794 11.288  107.12  1   163.718 ? 566 A 1 c
ATOM 2202 H  HD12 . ILE Axp A 138 ? 17.37  11.511  107.16  1   163.718 ? 566 A 1 c
ATOM 2203 H  HD13 . ILE Axp A 138 ? 16.551 11.377  108.519 1   162.965 ? 566 A 1 c
ATOM 2204 N  N    . VAL Axp A 139 ? 14.964 6.863   105.749 1   79.885  ? 567 A 1 .
ATOM 2205 C  CA   . VAL Axp A 139 ? 14.965 6.806   104.308 1   91.812  ? 567 A 1 .
ATOM 2206 C  C    . VAL Axp A 139 ? 13.863 7.739   103.826 1   95.528  ? 567 A 1 .
ATOM 2207 O  O    . VAL Axp A 139 ? 12.758 7.761   104.378 1   69.006  ? 567 A 1 .
ATOM 2208 C  CB   . VAL Axp A 139 ? 14.76  5.364   103.814 1   90.812  ? 567 A 1 .
ATOM 2209 C  CG1  . VAL Axp A 139 ? 13.393 4.802   104.199 1   79.687  ? 567 A 1 .
ATOM 2210 C  CG2  . VAL Axp A 139 ? 14.987 5.276   102.317 1   93.309  ? 567 A 1 .
ATOM 2211 H  H    . VAL Axp A 139 ? 14.166 6.826   106.193 1   83.15   ? 567 A 1 c
ATOM 2212 H  HA   . VAL Axp A 139 ? 15.824 7.134   103.98  1   89.735  ? 567 A 1 c
ATOM 2213 H  HB   . VAL Axp A 139 ? 15.446 4.808   104.253 1   89.263  ? 567 A 1 c
ATOM 2214 H  HG11 . VAL Axp A 139 ? 12.71  5.174   103.616 1   82.864  ? 567 A 1 c
ATOM 2215 H  HG12 . VAL Axp A 139 ? 13.191 5.033   105.12  1   82.891  ? 567 A 1 c
ATOM 2216 H  HG13 . VAL Axp A 139 ? 13.403 3.834   104.105 1   82.836  ? 567 A 1 c
ATOM 2217 H  HG21 . VAL Axp A 139 ? 15.102 4.346   102.06  1   92.544  ? 567 A 1 c
ATOM 2218 H  HG22 . VAL Axp A 139 ? 15.784 5.778   102.078 1   92.526  ? 567 A 1 c
ATOM 2219 H  HG23 . VAL Axp A 139 ? 14.22  5.647   101.849 1   92.501  ? 567 A 1 c
ATOM 2220 N  N    . THR Axp A 140 ? 14.192 8.539   102.814 1   94.685  ? 568 A 1 .
ATOM 2221 C  CA   . THR Axp A 140 ? 13.185 9.402   102.25  1   85.838  ? 568 A 1 .
ATOM 2222 C  C    . THR Axp A 140 ? 12.929 8.974   100.811 1   80.976  ? 568 A 1 .
ATOM 2223 O  O    . THR Axp A 140 ? 13.65  8.146   100.237 1   60.87   ? 568 A 1 .
ATOM 2224 C  CB   . THR Axp A 140 ? 13.616 10.861  102.394 1   94.722  ? 568 A 1 .
ATOM 2225 O  OG1  . THR Axp A 140 ? 14.63  11.158  101.442 1   98.722  ? 568 A 1 .
ATOM 2226 C  CG2  . THR Axp A 140 ? 14.147 11.161  103.788 1   113.165 ? 568 A 1 .
ATOM 2227 H  H    . THR Axp A 140 ? 15.041 8.548   102.475 1   92.828  ? 568 A 1 c
ATOM 2228 H  HA   . THR Axp A 140 ? 12.356 9.28    102.758 1   88.168  ? 568 A 1 c
ATOM 2229 H  HB   . THR Axp A 140 ? 12.839 11.445  102.225 1   96.913  ? 568 A 1 c
ATOM 2230 H  HG1  . THR Axp A 140 ? 15.258 10.74   101.623 0   95.63   ? 568 A 1 c
ATOM 2231 H  HG21 . THR Axp A 140 ? 14.051 12.11   103.974 1   107.517 ? 568 A 1 c
ATOM 2232 H  HG22 . THR Axp A 140 ? 15.086 10.915  103.838 1   107.246 ? 568 A 1 c
ATOM 2233 H  HG23 . THR Axp A 140 ? 13.644 10.65   104.444 1   107.183 ? 568 A 1 c
ATOM 2234 N  N    . LEU Axp A 141 ? 11.844 9.548   100.281 1   83.639  ? 569 A 1 .
ATOM 2235 C  CA   . LEU Axp A 141 ? 11.519 9.567   98.862  1   76.89   ? 569 A 1 .
ATOM 2236 C  C    . LEU Axp A 141 ? 12.729 10.047  98.066  1   75.704  ? 569 A 1 .
ATOM 2237 O  O    . LEU Axp A 141 ? 13.108 9.461   97.07   1   81.781  ? 569 A 1 .
ATOM 2238 C  CB   . LEU Axp A 141 ? 10.337 10.515  98.647  1   80.628  ? 569 A 1 .
ATOM 2239 C  CG   . LEU Axp A 141 ? 9.251  10.075  97.66   1   90.804  ? 569 A 1 .
ATOM 2240 C  CD1  . LEU Axp A 141 ? 8.538  11.284  97.124  1   101.525 ? 569 A 1 .
ATOM 2241 C  CD2  . LEU Axp A 141 ? 9.729  9.215   96.51   1   96.12   ? 569 A 1 .
ATOM 2242 H  H    . LEU Axp A 141 ? 11.264 9.958   100.856 1   81.512  ? 569 A 1 c
ATOM 2243 H  HA   . LEU Axp A 141 ? 11.274 8.651   98.579  1   78.836  ? 569 A 1 c
ATOM 2244 H  HB3  . LEU Axp A 141 ? 10.692 11.383  98.347  1   82.061  ? 569 A 1 c
ATOM 2245 H  HB2  . LEU Axp A 141 ? 9.908  10.674  99.519  1   82.217  ? 569 A 1 c
ATOM 2246 H  HG   . LEU Axp A 141 ? 8.587  9.543   98.167  1   91.785  ? 569 A 1 c
ATOM 2247 H  HD11 . LEU Axp A 141 ? 8.301  11.875  97.859  1   98.078  ? 569 A 1 c
ATOM 2248 H  HD12 . LEU Axp A 141 ? 7.731  11.006  96.66   1   98.145  ? 569 A 1 c
ATOM 2249 H  HD13 . LEU Axp A 141 ? 9.12   11.757  96.505  1   98.164  ? 569 A 1 c
ATOM 2250 H  HD21 . LEU Axp A 141 ? 9.863  8.303   96.819  1   94.369  ? 569 A 1 c
ATOM 2251 H  HD22 . LEU Axp A 141 ? 10.567 9.567   96.169  1   94.365  ? 569 A 1 c
ATOM 2252 H  HD23 . LEU Axp A 141 ? 9.064  9.221   95.801  1   94.516  ? 569 A 1 c
ATOM 2253 N  N    . GLU Axp A 142 ? 13.347 11.132  98.52   1   81.679  ? 570 A 1 .
ATOM 2254 C  CA   . GLU Axp A 142 ? 14.531 11.67   97.878  1   85.983  ? 570 A 1 .
ATOM 2255 C  C    . GLU Axp A 142 ? 15.615 10.587  97.762  1   88.899  ? 570 A 1 .
ATOM 2256 O  O    . GLU Axp A 142 ? 16.355 10.585  96.796  1   102.758 ? 570 A 1 .
ATOM 2257 C  CB   . GLU Axp A 142 ? 14.914 12.925  98.678  1   117.677 ? 570 A 1 .
ATOM 2258 C  CG   . GLU Axp A 142 ? 16.198 13.635  98.235  1   176.367 ? 570 A 1 .
ATOM 2259 C  CD   . GLU Axp A 142 ? 17.555 13.15   98.756  1   227.139 ? 570 A 1 .
ATOM 2260 O  OE1  . GLU Axp A 142 ? 17.613 12.218  99.593  1   261.829 ? 570 A 1 .
ATOM 2261 O  OE2  . GLU Axp A 142 ? 18.591 13.742  98.331  1   208.287 ? 570 A 1 .
ATOM 2262 H  H    . GLU Axp A 142 ? 13.013 11.56   99.256  1   81.623  ? 570 A 1 c
ATOM 2263 H  HA   . GLU Axp A 142 ? 14.279 11.954  96.962  1   90.728  ? 570 A 1 c
ATOM 2264 H  HB3  . GLU Axp A 142 ? 15.015 12.677  99.619  1   120.38  ? 570 A 1 c
ATOM 2265 H  HB2  . GLU Axp A 142 ? 14.175 13.567  98.62   1   120.301 ? 570 A 1 c
ATOM 2266 H  HG3  . GLU Axp A 142 ? 16.115 14.583  98.474  1   170.251 ? 570 A 1 c
ATOM 2267 H  HG2  . GLU Axp A 142 ? 16.234 13.606  97.255  1   170.251 ? 570 A 1 c
ATOM 2268 N  N    . ASP Axp A 143 ? 15.799 9.727   98.774  1   94.347  ? 571 A 1 .
ATOM 2269 C  CA   . ASP Axp A 143 ? 16.854 8.729   98.76   1   91.836  ? 571 A 1 .
ATOM 2270 C  C    . ASP Axp A 143 ? 16.611 7.772   97.601  1   80.04   ? 571 A 1 .
ATOM 2271 O  O    . ASP Axp A 143 ? 17.558 7.343   96.938  1   92.571  ? 571 A 1 .
ATOM 2272 C  CB   . ASP Axp A 143 ? 16.964 7.998   100.093 1   106.513 ? 571 A 1 .
ATOM 2273 C  CG   . ASP Axp A 143 ? 17.487 8.812   101.268 1   103.173 ? 571 A 1 .
ATOM 2274 O  OD1  . ASP Axp A 143 ? 18.641 9.307   101.159 1   95.054  ? 571 A 1 .
ATOM 2275 O  OD2  . ASP Axp A 143 ? 16.736 8.93    102.275 1   91.055  ? 571 A 1 .
ATOM 2276 H  H    . ASP Axp A 143 ? 15.251 9.774   99.504  1   92.263  ? 571 A 1 c
ATOM 2277 H  HA   . ASP Axp A 143 ? 17.709 9.191   98.606  1   92.587  ? 571 A 1 c
ATOM 2278 H  HB3  . ASP Axp A 143 ? 17.564 7.232   99.973  1   101.999 ? 571 A 1 c
ATOM 2279 H  HB2  . ASP Axp A 143 ? 16.083 7.647   100.334 1   101.794 ? 571 A 1 c
ATOM 2280 N  N    . VAL Axp A 144 ? 15.338 7.452   97.342  1   72.016  ? 572 A 1 .
ATOM 2281 C  CA   . VAL Axp A 144 ? 15.023 6.434   96.341  1   85.223  ? 572 A 1 .
ATOM 2282 C  C    . VAL Axp A 144 ? 15.055 7.029   94.931  1   81.886  ? 572 A 1 .
ATOM 2283 O  O    . VAL Axp A 144 ? 15.517 6.391   93.976  1   84.256  ? 572 A 1 .
ATOM 2284 C  CB   . VAL Axp A 144 ? 13.717 5.653   96.607  1   86.501  ? 572 A 1 .
ATOM 2285 C  CG1  . VAL Axp A 144 ? 12.881 6.238   97.74   1   81.483  ? 572 A 1 .
ATOM 2286 C  CG2  . VAL Axp A 144 ? 12.902 5.441   95.33   1   93.917  ? 572 A 1 .
ATOM 2287 H  H    . VAL Axp A 144 ? 14.66  7.881   97.778  1   77.077  ? 572 A 1 c
ATOM 2288 H  HA   . VAL Axp A 144 ? 15.745 5.777   96.38   1   82.18   ? 572 A 1 c
ATOM 2289 H  HB   . VAL Axp A 144 ? 13.99  4.755   96.908  1   86.588  ? 572 A 1 c
ATOM 2290 H  HG11 . VAL Axp A 144 ? 12.64  7.153   97.528  1   82.69   ? 572 A 1 c
ATOM 2291 H  HG12 . VAL Axp A 144 ? 13.392 6.218   98.566  1   82.625  ? 572 A 1 c
ATOM 2292 H  HG13 . VAL Axp A 144 ? 12.073 5.711   97.85   1   82.826  ? 572 A 1 c
ATOM 2293 H  HG21 . VAL Axp A 144 ? 12.109 4.919   95.538  1   91.624  ? 572 A 1 c
ATOM 2294 H  HG22 . VAL Axp A 144 ? 13.438 4.963   94.675  1   91.551  ? 572 A 1 c
ATOM 2295 H  HG23 . VAL Axp A 144 ? 12.632 6.301   94.966  1   91.545  ? 572 A 1 c
ATOM 2296 N  N    . ILE Axp A 145 ? 14.544 8.252   94.799  1   83.053  ? 573 A 1 .
ATOM 2297 C  CA   . ILE Axp A 145 ? 14.56  8.946   93.522  1   85.101  ? 573 A 1 .
ATOM 2298 C  C    . ILE Axp A 145 ? 16.013 9.128   93.095  1   88.502  ? 573 A 1 .
ATOM 2299 O  O    . ILE Axp A 145 ? 16.343 8.91    91.93   1   86.234  ? 573 A 1 .
ATOM 2300 C  CB   . ILE Axp A 145 ? 13.86  10.313  93.628  1   95.431  ? 573 A 1 .
ATOM 2301 C  CG1  . ILE Axp A 145 ? 12.45  10.207  94.148  1   105.496 ? 573 A 1 .
ATOM 2302 C  CG2  . ILE Axp A 145 ? 13.879 11.043  92.289  1   96.701  ? 573 A 1 .
ATOM 2303 C  CD1  . ILE Axp A 145 ? 11.594 9.239   93.362  1   116.976 ? 573 A 1 .
ATOM 2304 H  H    . ILE Axp A 145 ? 14.183 8.67    95.526  1   83.525  ? 573 A 1 c
ATOM 2305 H  HA   . ILE Axp A 145 ? 14.097 8.401   92.858  1   87.199  ? 573 A 1 c
ATOM 2306 H  HB   . ILE Axp A 145 ? 14.367 10.853  94.266  1   95.43   ? 573 A 1 c
ATOM 2307 H  HG12 . ILE Axp A 145 ? 12.035 11.093  94.117  1   105.322 ? 573 A 1 c
ATOM 2308 H  HG13 . ILE Axp A 145 ? 12.475 9.922   95.081  1   104.918 ? 573 A 1 c
ATOM 2309 H  HG21 . ILE Axp A 145 ? 13.468 11.915  92.395  1   96.243  ? 573 A 1 c
ATOM 2310 H  HG22 . ILE Axp A 145 ? 13.387 10.532  91.626  1   96.505  ? 573 A 1 c
ATOM 2311 H  HG23 . ILE Axp A 145 ? 14.797 11.158  91.99   1   96.302  ? 573 A 1 c
ATOM 2312 H  HD11 . ILE Axp A 145 ? 11.778 9.32    92.408  1   112.923 ? 573 A 1 c
ATOM 2313 H  HD12 . ILE Axp A 145 ? 10.652 9.437   93.526  1   113.065 ? 573 A 1 c
ATOM 2314 H  HD13 . ILE Axp A 145 ? 11.786 8.327   93.651  1   113.131 ? 573 A 1 c
ATOM 2315 N  N    . GLU Axp A 146 ? 16.821 9.622   94.053  1   90.957  ? 574 A 1 .
ATOM 2316 C  CA   . GLU Axp A 146 ? 18.257 9.832   93.934  1   89.685  ? 574 A 1 .
ATOM 2317 C  C    . GLU Axp A 146 ? 18.811 8.536   93.371  1   95.521  ? 574 A 1 .
ATOM 2318 O  O    . GLU Axp A 146 ? 19.625 8.572   92.464  1   116.792 ? 574 A 1 .
ATOM 2319 C  CB   . GLU Axp A 146 ? 18.816 10.305  95.29   1   90.421  ? 574 A 1 .
ATOM 2320 C  CG   . GLU Axp A 146 ? 20.32  10.534  95.458  1   108.635 ? 574 A 1 .
ATOM 2321 C  CD   . GLU Axp A 146 ? 20.75  11.4    96.672  1   138.05  ? 574 A 1 .
ATOM 2322 O  OE1  . GLU Axp A 146 ? 20.46  12.629  96.735  1   142.689 ? 574 A 1 .
ATOM 2323 O  OE2  . GLU Axp A 146 ? 21.435 10.862  97.581  1   162.418 ? 574 A 1 .
ATOM 2324 H  H    . GLU Axp A 146 ? 16.431 9.854   94.847  1   90.06   ? 574 A 1 c
ATOM 2325 H  HA   . GLU Axp A 146 ? 18.409 10.55   93.269  1   91.255  ? 574 A 1 c
ATOM 2326 H  HB3  . GLU Axp A 146 ? 18.554 9.651   95.971  1   94.271  ? 574 A 1 c
ATOM 2327 H  HB2  . GLU Axp A 146 ? 18.38  11.153  95.517  1   94.44   ? 574 A 1 c
ATOM 2328 H  HG3  . GLU Axp A 146 ? 20.664 10.959  94.643  1   110.022 ? 574 A 1 c
ATOM 2329 H  HG2  . GLU Axp A 146 ? 20.762 9.661   95.534  1   110.236 ? 574 A 1 c
ATOM 2330 N  N    . GLU Axp A 147 ? 18.346 7.403   93.893  1   104.823 ? 575 A 1 .
ATOM 2331 C  CA   . GLU Axp A 147 ? 18.801 6.095   93.444  1   128.355 ? 575 A 1 .
ATOM 2332 C  C    . GLU Axp A 147 ? 18.351 5.773   92.012  1   111.574 ? 575 A 1 .
ATOM 2333 O  O    . GLU Axp A 147 ? 19.039 5.062   91.283  1   102.235 ? 575 A 1 .
ATOM 2334 C  CB   . GLU Axp A 147 ? 18.343 5.039   94.448  1   125.629 ? 575 A 1 .
ATOM 2335 C  CG   . GLU Axp A 147 ? 18.927 3.661   94.155  1   144.86  ? 575 A 1 .
ATOM 2336 C  CD   . GLU Axp A 147 ? 20.4   3.606   93.759  1   160.229 ? 575 A 1 .
ATOM 2337 O  OE1  . GLU Axp A 147 ? 21.243 4.201   94.466  1   114.494 ? 575 A 1 .
ATOM 2338 O  OE2  . GLU Axp A 147 ? 20.709 2.94    92.74   1   201.664 ? 575 A 1 .
ATOM 2339 H  H    . GLU Axp A 147 ? 17.739 7.442   94.574  1   106.924 ? 575 A 1 c
ATOM 2340 H  HA   . GLU Axp A 147 ? 19.791 6.108   93.452  1   119.786 ? 575 A 1 c
ATOM 2341 H  HB3  . GLU Axp A 147 ? 17.366 4.98    94.427  1   130.024 ? 575 A 1 c
ATOM 2342 H  HB2  . GLU Axp A 147 ? 18.607 5.32    95.349  1   130.32  ? 575 A 1 c
ATOM 2343 H  HG3  . GLU Axp A 147 ? 18.404 3.248   93.434  1   143.652 ? 575 A 1 c
ATOM 2344 H  HG2  . GLU Axp A 147 ? 18.807 3.098   94.949  1   143.531 ? 575 A 1 c
ATOM 2345 N  N    . ILE Axp A 148 ? 17.201 6.296   91.597  1   100.437 ? 576 A 1 .
ATOM 2346 C  CA   . ILE Axp A 148 ? 16.693 6.034   90.257  1   89.888  ? 576 A 1 .
ATOM 2347 C  C    . ILE Axp A 148 ? 17.457 6.844   89.206  1   97.038  ? 576 A 1 .
ATOM 2348 O  O    . ILE Axp A 148 ? 17.787 6.344   88.146  1   97.493  ? 576 A 1 .
ATOM 2349 C  CB   . ILE Axp A 148 ? 15.196 6.365   90.161  1   78.493  ? 576 A 1 .
ATOM 2350 C  CG1  . ILE Axp A 148 ? 14.345 5.469   91.004  1   85.679  ? 576 A 1 .
ATOM 2351 C  CG2  . ILE Axp A 148 ? 14.727 6.324   88.715  1   76.725  ? 576 A 1 .
ATOM 2352 C  CD1  . ILE Axp A 148 ? 12.966 6.046   91.266  1   84.287  ? 576 A 1 .
ATOM 2353 H  H    . ILE Axp A 148 ? 16.707 6.815   92.164  1   100.242 ? 576 A 1 c
ATOM 2354 H  HA   . ILE Axp A 148 ? 16.809 5.084   90.062  1   91.017  ? 576 A 1 c
ATOM 2355 H  HB   . ILE Axp A 148 ? 15.075 7.278   90.485  1   81.659  ? 576 A 1 c
ATOM 2356 H  HG12 . ILE Axp A 148 ? 14.793 5.313   91.859  1   83.756  ? 576 A 1 c
ATOM 2357 H  HG13 . ILE Axp A 148 ? 14.248 4.606   90.552  1   83.626  ? 576 A 1 c
ATOM 2358 H  HG21 . ILE Axp A 148 ? 13.767 6.177   88.686  1   77.456  ? 576 A 1 c
ATOM 2359 H  HG22 . ILE Axp A 148 ? 15.175 5.6     88.246  1   77.547  ? 576 A 1 c
ATOM 2360 H  HG23 . ILE Axp A 148 ? 14.934 7.168   88.28   1   77.427  ? 576 A 1 c
ATOM 2361 H  HD11 . ILE Axp A 148 ? 13.008 7.02    91.289  1   84.637  ? 576 A 1 c
ATOM 2362 H  HD12 . ILE Axp A 148 ? 12.636 5.717   92.124  1   84.672  ? 576 A 1 c
ATOM 2363 H  HD13 . ILE Axp A 148 ? 12.357 5.765   90.557  1   84.633  ? 576 A 1 c
ATOM 2364 N  N    . ILE Axp A 149 ? 17.658 8.139   89.427  1   106.935 ? 577 A 1 .
ATOM 2365 C  CA   . ILE Axp A 149 ? 17.994 9.016   88.312  1   114.847 ? 577 A 1 .
ATOM 2366 C  C    . ILE Axp A 149 ? 19.491 9.313   88.25   1   144.815 ? 577 A 1 .
ATOM 2367 O  O    . ILE Axp A 149 ? 19.943 9.793   87.206  1   136.958 ? 577 A 1 .
ATOM 2368 C  CB   . ILE Axp A 149 ? 17.209 10.334  88.395  1   109.522 ? 577 A 1 .
ATOM 2369 C  CG1  . ILE Axp A 149 ? 17.553 11.105  89.655  1   80.865  ? 577 A 1 .
ATOM 2370 C  CG2  . ILE Axp A 149 ? 15.701 10.099  88.289  1   125.957 ? 577 A 1 .
ATOM 2371 C  CD1  . ILE Axp A 149 ? 17.103 12.534  89.609  1   69.586  ? 577 A 1 .
ATOM 2372 H  H    . ILE Axp A 149 ? 17.582 8.483   90.27   1   106.082 ? 577 A 1 c
ATOM 2373 H  HA   . ILE Axp A 149 ? 17.739 8.569   87.481  1   116.971 ? 577 A 1 c
ATOM 2374 H  HB   . ILE Axp A 149 ? 17.477 10.884  87.632  1   106.917 ? 577 A 1 c
ATOM 2375 H  HG12 . ILE Axp A 149 ? 18.522 11.085  89.79   1   84.501  ? 577 A 1 c
ATOM 2376 H  HG13 . ILE Axp A 149 ? 17.132 10.668  90.421  1   84.215  ? 577 A 1 c
ATOM 2377 H  HG21 . ILE Axp A 149 ? 15.256 10.934  88.066  1   120.484 ? 577 A 1 c
ATOM 2378 H  HG22 . ILE Axp A 149 ? 15.362 9.77    89.139  1   120.497 ? 577 A 1 c
ATOM 2379 H  HG23 . ILE Axp A 149 ? 15.522 9.443   87.595  1   120.712 ? 577 A 1 c
ATOM 2380 H  HD11 . ILE Axp A 149 ? 17.17  12.876  88.697  1   73.22   ? 577 A 1 c
ATOM 2381 H  HD12 . ILE Axp A 149 ? 17.666 13.072  90.197  1   72.931  ? 577 A 1 c
ATOM 2382 H  HD13 . ILE Axp A 149 ? 16.176 12.591  89.909  1   73.117  ? 577 A 1 c
ATOM 2383 N  N    . LYS Axp A 150 ? 20.201 9.096   89.38   1   162.423 ? 578 A 1 .
ATOM 2384 C  CA   . LYS Axp A 150 ? 21.575 9.54    89.573  1   150.037 ? 578 A 1 .
ATOM 2385 C  C    . LYS Axp A 150 ? 22.412 8.84    88.512  1   167.784 ? 578 A 1 .
ATOM 2386 O  O    . LYS Axp A 150 ? 21.974 7.803   88.007  1   112.682 ? 578 A 1 .
ATOM 2387 C  CB   . LYS Axp A 150 ? 22.127 9.125   90.943  1   157.921 ? 578 A 1 .
ATOM 2388 C  CG   . LYS Axp A 150 ? 22.158 7.583   91.125  1   186.185 ? 578 A 1 .
ATOM 2389 C  CD   . LYS Axp A 150 ? 22.997 6.982   92.252  1   194.72  ? 578 A 1 .
ATOM 2390 C  CE   . LYS Axp A 150 ? 23.143 5.504   92.012  1   197.423 ? 578 A 1 .
ATOM 2391 N  NZ   . LYS Axp A 150 ? 23.853 4.772   93.061  1   187.868 ? 578 A 1 .
ATOM 2392 H  H    . LYS Axp A 150 ? 19.798 8.648   90.067  1   154.302 ? 578 A 1 c
ATOM 2393 H  HA   . LYS Axp A 150 ? 21.624 10.522  89.449  1   157.194 ? 578 A 1 c
ATOM 2394 H  HB3  . LYS Axp A 150 ? 21.576 9.521   91.65   1   161.599 ? 578 A 1 c
ATOM 2395 H  HB2  . LYS Axp A 150 ? 23.039 9.472   91.04   1   161.906 ? 578 A 1 c
ATOM 2396 H  HG3  . LYS Axp A 150 ? 22.47  7.191   90.283  1   180.647 ? 578 A 1 c
ATOM 2397 H  HG2  . LYS Axp A 150 ? 21.233 7.279   91.243  1   180.434 ? 578 A 1 c
ATOM 2398 H  HD3  . LYS Axp A 150 ? 22.554 7.132   93.115  1   193.383 ? 578 A 1 c
ATOM 2399 H  HD2  . LYS Axp A 150 ? 23.885 7.401   92.267  1   193.383 ? 578 A 1 c
ATOM 2400 H  HE3  . LYS Axp A 150 ? 23.616 5.369   91.171  1   194.393 ? 578 A 1 c
ATOM 2401 H  HE2  . LYS Axp A 150 ? 22.256 5.115   91.913  1   194.434 ? 578 A 1 c
ATOM 2402 H  HZ1  . LYS Axp A 150 ? 23.322 4.69    93.791  1   190.758 ? 578 A 1 c
ATOM 2403 H  HZ2  . LYS Axp A 150 ? 24.607 5.22    93.291  1   190.758 ? 578 A 1 c
ATOM 2404 H  HZ3  . LYS Axp A 150 ? 24.077 3.947   92.762  1   190.758 ? 578 A 1 c
ATOM 2405 N  N    . SER Axp A 151 ? 23.599 9.401   88.222  1   209.344 ? 579 A 1 .
ATOM 2406 C  CA   . SER Axp A 151 ? 24.528 8.861   87.237  1   228.288 ? 579 A 1 .
ATOM 2407 C  C    . SER Axp A 151 ? 25.063 7.493   87.666  1   276.2   ? 579 A 1 .
ATOM 2408 O  O    . SER Axp A 151 ? 25.589 7.337   88.768  1   294.12  ? 579 A 1 .
ATOM 2409 C  CB   . SER Axp A 151 ? 25.668 9.82    86.969  1   188.304 ? 579 A 1 .
ATOM 2410 O  OG   . SER Axp A 151 ? 25.204 10.963  86.266  1   149.804 ? 579 A 1 .
ATOM 2411 H  H    . SER Axp A 151 ? 23.839 10.163  88.668  1   201.46  ? 579 A 1 c
ATOM 2412 H  HA   . SER Axp A 151 ? 24.027 8.74    86.39   1   225.014 ? 579 A 1 c
ATOM 2413 H  HB3  . SER Axp A 151 ? 26.355 9.369   86.442  1   186.627 ? 579 A 1 c
ATOM 2414 H  HB2  . SER Axp A 151 ? 26.065 10.097  87.817  1   186.374 ? 579 A 1 c
ATOM 2415 H  HG   . SER Axp A 151 ? 25.717 11.199  85.505  0   180     ? 579 A 1 c
ATOM 2416 N  N    . GLU Axp A 152 ? 24.955 6.518   86.754  1   291.387 ? 580 A 1 .
ATOM 2417 C  CA   . GLU Axp A 152 ? 25.412 5.161   87.003  1   254.654 ? 580 A 1 .
ATOM 2418 C  C    . GLU Axp A 152 ? 25.783 4.491   85.666  1   246.725 ? 580 A 1 .
ATOM 2419 O  O    . GLU Axp A 152 ? 26.338 3.374   85.745  1   196.165 ? 580 A 1 .
ATOM 2420 C  CB   . GLU Axp A 152 ? 24.354 4.376   87.785  1   243.222 ? 580 A 1 .
ATOM 2421 C  CG   . GLU Axp A 152 ? 22.962 4.417   87.152  1   225.46  ? 580 A 1 .
ATOM 2422 C  CD   . GLU Axp A 152 ? 21.837 3.785   87.953  1   191.507 ? 580 A 1 .
ATOM 2423 O  OE1  . GLU Axp A 152 ? 21.815 2.548   88.116  1   154.495 ? 580 A 1 .
ATOM 2424 O  OE2  . GLU Axp A 152 ? 20.981 4.556   88.424  1   149.663 ? 580 A 1 .
ATOM 2425 O  OXT  . GLU Axp A 152 ? 25.528 5.112   84.597  1   297.056 ? 580 A 1 .
ATOM 2426 H  H    . GLU Axp A 152 ? 24.58  6.709   85.942  1   277.893 ? 580 A 1 c
ATOM 2427 H  HA   . GLU Axp A 152 ? 26.231 5.209   87.558  1   258.067 ? 580 A 1 c
ATOM 2428 H  HB3  . GLU Axp A 152 ? 24.299 4.74    88.693  1   241.52  ? 580 A 1 c
ATOM 2429 H  HB2  . GLU Axp A 152 ? 24.642 3.442   87.856  1   241.313 ? 580 A 1 c
ATOM 2430 H  HG3  . GLU Axp A 152 ? 23.003 3.968   86.281  1   220.96  ? 580 A 1 c
ATOM 2431 H  HG2  . GLU Axp A 152 ? 22.724 5.352   86.979  1   220.703 ? 580 A 1 c
ATOM 2432 N  N    . MSE Cxp C 1   ? 2.87   -2.303  86.522  1   118.851 ? 429 C 1 .
ATOM 2433 C  CA   . MSE Cxp C 1   ? 4.139  -2.264  87.295  1   112.888 ? 429 C 1 .
ATOM 2434 C  C    . MSE Cxp C 1   ? 4.59   -0.808  87.475  1   109.932 ? 429 C 1 .
ATOM 2435 O  O    . MSE Cxp C 1   ? 4.411  0.06    86.602  1   84.893  ? 429 C 1 .
ATOM 2436 C  CB   . MSE Cxp C 1   ? 5.222  -3.088  86.579  1   119.276 ? 429 C 1 .
ATOM 2437 C  CG   . MSE Cxp C 1   ? 5.115  -4.603  86.664  1   139.257 ? 429 C 1 .
ATOM 2438 SE SE   . MSE Cxp C 1   ? 6.689  -5.528  85.841  1   209.207 ? 429 C 1 .
ATOM 2439 C  CE   . MSE Cxp C 1   ? 6.149  -5.98   83.972  1   98.801  ? 429 C 1 .
ATOM 2440 H  H    . MSE Cxp C 1   ? 2.644  -3.166  86.336  1   117.244 ? 429 C 1 c
ATOM 2441 H  H2   . MSE Cxp C 1   ? 2.966  -1.847  85.74   1   117.028 ? 429 C 1 c
ATOM 2442 H  H3   . MSE Cxp C 1   ? 2.2    -1.92   87.006  1   117.041 ? 429 C 1 c
ATOM 2443 H  HA   . MSE Cxp C 1   ? 3.972  -2.657  88.182  1   114.775 ? 429 C 1 c
ATOM 2444 H  HB2  . MSE Cxp C 1   ? 6.064  -2.839  86.938  1   122.318 ? 429 C 1 c
ATOM 2445 H  HB3  . MSE Cxp C 1   ? 5.222  -2.847  85.659  1   122.034 ? 429 C 1 c
ATOM 2446 H  HG2  . MSE Cxp C 1   ? 4.298  -4.896  86.207  1   143.479 ? 429 C 1 c
ATOM 2447 H  HG3  . MSE Cxp C 1   ? 5.045  -4.87   87.605  1   143.639 ? 429 C 1 c
ATOM 2448 H  HE1  . MSE Cxp C 1   ? 6.569  -6.813  83.708  1   117.507 ? 429 C 1 c
ATOM 2449 H  HE2  . MSE Cxp C 1   ? 6.432  -5.27   83.375  1   117.524 ? 429 C 1 c
ATOM 2450 H  HE3  . MSE Cxp C 1   ? 5.185  -6.075  83.93   1   117.506 ? 429 C 1 c
ATOM 2451 N  N    . GLU Cxp C 2   ? 5.202  -0.549  88.64   1   128.415 ? 430 C 1 .
ATOM 2452 C  CA   . GLU Cxp C 2   ? 5.88   0.713   88.892  1   153.389 ? 430 C 1 .
ATOM 2453 C  C    . GLU Cxp C 2   ? 6.922  0.945   87.803  1   138.426 ? 430 C 1 .
ATOM 2454 O  O    . GLU Cxp C 2   ? 7.065  2.057   87.282  1   99.416  ? 430 C 1 .
ATOM 2455 C  CB   . GLU Cxp C 2   ? 6.638  0.723   90.227  1   153.474 ? 430 C 1 .
ATOM 2456 C  CG   . GLU Cxp C 2   ? 5.767  1.052   91.433  1   160.946 ? 430 C 1 .
ATOM 2457 C  CD   . GLU Cxp C 2   ? 5.04   2.39    91.38   1   169.355 ? 430 C 1 .
ATOM 2458 O  OE1  . GLU Cxp C 2   ? 5.321  3.283   90.549  1   169.534 ? 430 C 1 .
ATOM 2459 O  OE2  . GLU Cxp C 2   ? 4.134  2.534   92.216  1   185.087 ? 430 C 1 .
ATOM 2460 H  H    . GLU Cxp C 2   ? 5.194  -1.181  89.3    1   128.897 ? 430 C 1 c
ATOM 2461 H  HA   . GLU Cxp C 2   ? 5.213  1.443   88.862  1   145.623 ? 430 C 1 c
ATOM 2462 H  HB3  . GLU Cxp C 2   ? 7.36   1.384   90.176  1   154.99  ? 430 C 1 c
ATOM 2463 H  HB2  . GLU Cxp C 2   ? 7.048  -0.156  90.363  1   154.92  ? 430 C 1 c
ATOM 2464 H  HG3  . GLU Cxp C 2   ? 6.328  1.04    92.238  1   161.111 ? 430 C 1 c
ATOM 2465 H  HG2  . GLU Cxp C 2   ? 5.097  0.344   91.537  1   161.239 ? 430 C 1 c
ATOM 2466 N  N    . GLU Cxp C 3   ? 7.721  -0.108  87.597  1   134.014 ? 431 C 1 .
ATOM 2467 C  CA   . GLU Cxp C 3   ? 8.848  -0.102  86.682  1   111.167 ? 431 C 1 .
ATOM 2468 C  C    . GLU Cxp C 3   ? 8.363  0.391   85.338  1   107.039 ? 431 C 1 .
ATOM 2469 O  O    . GLU Cxp C 3   ? 9.047  1.192   84.716  1   114.537 ? 431 C 1 .
ATOM 2470 C  CB   . GLU Cxp C 3   ? 9.569  -1.444  86.547  1   109.755 ? 431 C 1 .
ATOM 2471 C  CG   . GLU Cxp C 3   ? 8.804  -2.629  87.133  1   148.813 ? 431 C 1 .
ATOM 2472 C  CD   . GLU Cxp C 3   ? 8.73   -2.781  88.663  1   167.804 ? 431 C 1 .
ATOM 2473 O  OE1  . GLU Cxp C 3   ? 9.786  -2.956  89.319  1   149.339 ? 431 C 1 .
ATOM 2474 O  OE2  . GLU Cxp C 3   ? 7.603  -2.759  89.216  1   173.962 ? 431 C 1 .
ATOM 2475 H  H    . GLU Cxp C 3   ? 7.552  -0.87   88.07   1   130.061 ? 431 C 1 c
ATOM 2476 H  HA   . GLU Cxp C 3   ? 9.508  0.552   87.025  1   114.213 ? 431 C 1 c
ATOM 2477 H  HB3  . GLU Cxp C 3   ? 10.437 -1.38   86.996  1   118.022 ? 431 C 1 c
ATOM 2478 H  HB2  . GLU Cxp C 3   ? 9.738  -1.619  85.597  1   117.962 ? 431 C 1 c
ATOM 2479 H  HG3  . GLU Cxp C 3   ? 9.202  -3.451  86.776  1   142.506 ? 431 C 1 c
ATOM 2480 H  HG2  . GLU Cxp C 3   ? 7.891  -2.6    86.789  1   142.255 ? 431 C 1 c
ATOM 2481 N  N    . LEU Cxp C 4   ? 7.187  -0.07   84.912  1   100.178 ? 432 C 1 .
ATOM 2482 C  CA   . LEU Cxp C 4   ? 6.67   0.29    83.6    1   89.584  ? 432 C 1 .
ATOM 2483 C  C    . LEU Cxp C 4   ? 6.332  1.771   83.554  1   92.252  ? 432 C 1 .
ATOM 2484 O  O    . LEU Cxp C 4   ? 6.697  2.459   82.604  1   73.795  ? 432 C 1 .
ATOM 2485 C  CB   . LEU Cxp C 4   ? 5.454  -0.562  83.279  1   96.503  ? 432 C 1 .
ATOM 2486 C  CG   . LEU Cxp C 4   ? 5.764  -2.025  82.943  1   112.178 ? 432 C 1 .
ATOM 2487 C  CD1  . LEU Cxp C 4   ? 4.45   -2.809  82.935  1   124.922 ? 432 C 1 .
ATOM 2488 C  CD2  . LEU Cxp C 4   ? 6.545  -2.201  81.624  1   101.93  ? 432 C 1 .
ATOM 2489 H  H    . LEU Cxp C 4   ? 6.699  -0.632  85.442  1   99.731  ? 432 C 1 c
ATOM 2490 H  HA   . LEU Cxp C 4   ? 7.377  0.11    82.929  1   93.448  ? 432 C 1 c
ATOM 2491 H  HB3  . LEU Cxp C 4   ? 4.986  -0.158  82.512  1   98.166  ? 432 C 1 c
ATOM 2492 H  HB2  . LEU Cxp C 4   ? 4.847  -0.539  84.054  1   98.359  ? 432 C 1 c
ATOM 2493 H  HG   . LEU Cxp C 4   ? 6.327  -2.391  83.673  1   109.429 ? 432 C 1 c
ATOM 2494 H  HD11 . LEU Cxp C 4   ? 3.949  -2.616  83.744  1   120.648 ? 432 C 1 c
ATOM 2495 H  HD12 . LEU Cxp C 4   ? 4.64   -3.762  82.894  1   120.816 ? 432 C 1 c
ATOM 2496 H  HD13 . LEU Cxp C 4   ? 3.923  -2.552  82.16   1   120.92  ? 432 C 1 c
ATOM 2497 H  HD21 . LEU Cxp C 4   ? 7.48   -1.981  81.768  1   104.733 ? 432 C 1 c
ATOM 2498 H  HD22 . LEU Cxp C 4   ? 6.175  -1.61   80.946  1   104.795 ? 432 C 1 c
ATOM 2499 H  HD23 . LEU Cxp C 4   ? 6.472  -3.122  81.324  1   104.795 ? 432 C 1 c
ATOM 2500 N  N    . ASN Cxp C 5   ? 5.658  2.256   84.601  1   115.208 ? 433 C 1 .
ATOM 2501 C  CA   . ASN Cxp C 5   ? 5.362  3.679   84.744  1   136.775 ? 433 C 1 .
ATOM 2502 C  C    . ASN Cxp C 5   ? 6.604  4.543   84.549  1   118.129 ? 433 C 1 .
ATOM 2503 O  O    . ASN Cxp C 5   ? 6.596  5.525   83.806  1   98.489  ? 433 C 1 .
ATOM 2504 C  CB   . ASN Cxp C 5   ? 4.865  4.009   86.146  1   162.086 ? 433 C 1 .
ATOM 2505 C  CG   . ASN Cxp C 5   ? 3.39   3.775   86.277  1   182.121 ? 433 C 1 .
ATOM 2506 O  OD1  . ASN Cxp C 5   ? 2.614  4.514   85.653  1   178.544 ? 433 C 1 .
ATOM 2507 N  ND2  . ASN Cxp C 5   ? 3.014  2.783   87.078  1   200.297 ? 433 C 1 .
ATOM 2508 H  H    . ASN Cxp C 5   ? 5.363  1.681   85.247  1   113.836 ? 433 C 1 c
ATOM 2509 H  HA   . ASN Cxp C 5   ? 4.669  3.936   84.094  1   133.381 ? 433 C 1 c
ATOM 2510 H  HB3  . ASN Cxp C 5   ? 5.06   4.946   86.347  1   159.827 ? 433 C 1 c
ATOM 2511 H  HB2  . ASN Cxp C 5   ? 5.337  3.455   86.796  1   159.676 ? 433 C 1 c
ATOM 2512 H  HD21 . ASN Cxp C 5   ? 2.334  2.897   87.635  1   194.445 ? 433 C 1 c
ATOM 2513 H  HD22 . ASN Cxp C 5   ? 3.445  2.007   87.054  1   194.211 ? 433 C 1 c
ATOM 2514 N  N    . ILE Cxp C 6   ? 7.638  4.179   85.313  1   108.299 ? 434 C 1 .
ATOM 2515 C  CA   . ILE Cxp C 6   ? 8.877  4.925   85.388  1   99.777  ? 434 C 1 .
ATOM 2516 C  C    . ILE Cxp C 6   ? 9.596  4.869   84.051  1   89.746  ? 434 C 1 .
ATOM 2517 O  O    . ILE Cxp C 6   ? 10.159 5.86    83.6    1   85.074  ? 434 C 1 .
ATOM 2518 C  CB   . ILE Cxp C 6   ? 9.738  4.377   86.534  1   107.055 ? 434 C 1 .
ATOM 2519 C  CG1  . ILE Cxp C 6   ? 8.972  4.477   87.87   1   105.62  ? 434 C 1 .
ATOM 2520 C  CG2  . ILE Cxp C 6   ? 11.078 5.115   86.563  1   115.151 ? 434 C 1 .
ATOM 2521 C  CD1  . ILE Cxp C 6   ? 9.53   3.634   88.992  1   103.486 ? 434 C 1 .
ATOM 2522 H  H    . ILE Cxp C 6   ? 7.569  3.407   85.797  1   108.919 ? 434 C 1 c
ATOM 2523 H  HA   . ILE Cxp C 6   ? 8.662  5.857   85.585  1   100.698 ? 434 C 1 c
ATOM 2524 H  HB   . ILE Cxp C 6   ? 9.913  3.431   86.355  1   106.822 ? 434 C 1 c
ATOM 2525 H  HG12 . ILE Cxp C 6   ? 8.04   4.221   87.722  1   105.414 ? 434 C 1 c
ATOM 2526 H  HG13 . ILE Cxp C 6   ? 8.976  5.413   88.157  1   105.436 ? 434 C 1 c
ATOM 2527 H  HG21 . ILE Cxp C 6   ? 11.484 5.019   87.441  1   112.566 ? 434 C 1 c
ATOM 2528 H  HG22 . ILE Cxp C 6   ? 10.935 6.058   86.377  1   112.451 ? 434 C 1 c
ATOM 2529 H  HG23 . ILE Cxp C 6   ? 11.672 4.741   85.892  1   112.424 ? 434 C 1 c
ATOM 2530 H  HD11 . ILE Cxp C 6   ? 10.008 2.867   88.622  1   104.145 ? 434 C 1 c
ATOM 2531 H  HD12 . ILE Cxp C 6   ? 8.8    3.318   89.557  1   104.106 ? 434 C 1 c
ATOM 2532 H  HD13 . ILE Cxp C 6   ? 10.145 4.17    89.528  1   104.118 ? 434 C 1 c
ATOM 2533 N  N    . ILE Cxp C 7   ? 9.546  3.703   83.41   1   92.827  ? 435 C 1 .
ATOM 2534 C  CA   . ILE Cxp C 7   ? 10.22  3.516   82.135  1   95.037  ? 435 C 1 .
ATOM 2535 C  C    . ILE Cxp C 7   ? 9.57   4.407   81.089  1   82.672  ? 435 C 1 .
ATOM 2536 O  O    . ILE Cxp C 7   ? 10.231 5.119   80.327  1   67.505  ? 435 C 1 .
ATOM 2537 C  CB   . ILE Cxp C 7   ? 10.193 2.043   81.707  1   84.923  ? 435 C 1 .
ATOM 2538 C  CG1  . ILE Cxp C 7   ? 11.058 1.214   82.615  1   87.912  ? 435 C 1 .
ATOM 2539 C  CG2  . ILE Cxp C 7   ? 10.645 1.909   80.257  1   87.538  ? 435 C 1 .
ATOM 2540 C  CD1  . ILE Cxp C 7   ? 10.856 -0.275  82.458  1   105.84  ? 435 C 1 .
ATOM 2541 H  H    . ILE Cxp C 7   ? 9.087  3.002   83.774  1   92.624  ? 435 C 1 c
ATOM 2542 H  HA   . ILE Cxp C 7   ? 11.153 3.788   82.238  1   90.285  ? 435 C 1 c
ATOM 2543 H  HB   . ILE Cxp C 7   ? 9.273  1.719   81.777  1   87.87   ? 435 C 1 c
ATOM 2544 H  HG12 . ILE Cxp C 7   ? 10.877 1.463   83.543  1   91.208  ? 435 C 1 c
ATOM 2545 H  HG13 . ILE Cxp C 7   ? 11.996 1.424   82.429  1   91.049  ? 435 C 1 c
ATOM 2546 H  HG21 . ILE Cxp C 7   ? 10.941 0.999   80.089  1   86.944  ? 435 C 1 c
ATOM 2547 H  HG22 . ILE Cxp C 7   ? 11.379 2.522   80.086  1   86.824  ? 435 C 1 c
ATOM 2548 H  HG23 . ILE Cxp C 7   ? 9.904  2.119   79.663  1   86.788  ? 435 C 1 c
ATOM 2549 H  HD11 . ILE Cxp C 7   ? 9.931  -0.46   82.207  1   99.963  ? 435 C 1 c
ATOM 2550 H  HD12 . ILE Cxp C 7   ? 11.057 -0.721  83.303  1   100.098 ? 435 C 1 c
ATOM 2551 H  HD13 . ILE Cxp C 7   ? 11.453 -0.614  81.764  1   100.028 ? 435 C 1 c
ATOM 2552 N  N    . GLN Cxp C 8   ? 8.251  4.346   81.058  1   81.023  ? 436 C 1 .
ATOM 2553 C  CA   . GLN Cxp C 8   ? 7.55   5.14    80.079  1   103.047 ? 436 C 1 .
ATOM 2554 C  C    . GLN Cxp C 8   ? 7.832  6.633   80.275  1   102.014 ? 436 C 1 .
ATOM 2555 O  O    . GLN Cxp C 8   ? 8.041  7.373   79.31   1   99.075  ? 436 C 1 .
ATOM 2556 C  CB   . GLN Cxp C 8   ? 6.07   4.837   80.21   1   99.029  ? 436 C 1 .
ATOM 2557 C  CG   . GLN Cxp C 8   ? 5.268  5.576   79.164  1   104.412 ? 436 C 1 .
ATOM 2558 C  CD   . GLN Cxp C 8   ? 3.814  5.34    79.398  1   122.755 ? 436 C 1 .
ATOM 2559 O  OE1  . GLN Cxp C 8   ? 3.438  4.779   80.433  1   143.402 ? 436 C 1 .
ATOM 2560 N  NE2  . GLN Cxp C 8   ? 3.015  5.744   78.425  1   157.128 ? 436 C 1 .
ATOM 2561 H  H    . GLN Cxp C 8   ? 7.784  3.811   81.634  1   86.144  ? 436 C 1 c
ATOM 2562 H  HA   . GLN Cxp C 8   ? 7.857  4.871   79.176  1   97.136  ? 436 C 1 c
ATOM 2563 H  HB3  . GLN Cxp C 8   ? 5.766  5.102   81.104  1   101.51  ? 436 C 1 c
ATOM 2564 H  HB2  . GLN Cxp C 8   ? 5.926  3.872   80.111  1   101.396 ? 436 C 1 c
ATOM 2565 H  HG3  . GLN Cxp C 8   ? 5.515  5.259   78.269  1   107.092 ? 436 C 1 c
ATOM 2566 H  HG2  . GLN Cxp C 8   ? 5.455  6.537   79.214  1   107.046 ? 436 C 1 c
ATOM 2567 H  HE21 . GLN Cxp C 8   ? 2.325  5.243   78.182  1   145.523 ? 436 C 1 c
ATOM 2568 H  HE22 . GLN Cxp C 8   ? 3.17   6.516   78.016  1   145.264 ? 436 C 1 c
ATOM 2569 N  N    . GLY Cxp C 9   ? 7.79   7.085   81.529  1   90.554  ? 437 C 1 .
ATOM 2570 C  CA   . GLY Cxp C 9   ? 8.017  8.488   81.823  1   93.337  ? 437 C 1 .
ATOM 2571 C  C    . GLY Cxp C 9   ? 9.387  8.925   81.334  1   95.857  ? 437 C 1 .
ATOM 2572 O  O    . GLY Cxp C 9   ? 9.57   10.001  80.743  1   125.209 ? 437 C 1 .
ATOM 2573 H  H    . GLY Cxp C 9   ? 7.61   6.511   82.216  1   93.769  ? 437 C 1 c
ATOM 2574 H  HA3  . GLY Cxp C 9   ? 7.95   8.63    82.797  1   93.219  ? 437 C 1 c
ATOM 2575 H  HA2  . GLY Cxp C 9   ? 7.319  9.029   81.385  1   93.219  ? 437 C 1 c
ATOM 2576 N  N    . ALA Cxp C 10  ? 10.345 8.046   81.59   1   99.791  ? 438 C 1 .
ATOM 2577 C  CA   . ALA Cxp C 10  ? 11.703 8.294   81.166  1   109.992 ? 438 C 1 .
ATOM 2578 C  C    . ALA Cxp C 10  ? 11.725 8.451   79.652  1   94.913  ? 438 C 1 .
ATOM 2579 O  O    . ALA Cxp C 10  ? 12.423 9.328   79.17   1   78.106  ? 438 C 1 .
ATOM 2580 C  CB   . ALA Cxp C 10  ? 12.597 7.167   81.639  1   119.559 ? 438 C 1 .
ATOM 2581 H  H    . ALA Cxp C 10  ? 10.153 7.277   82.045  1   101.136 ? 438 C 1 c
ATOM 2582 H  HA   . ALA Cxp C 10  ? 12.009 9.15    81.576  1   106.484 ? 438 C 1 c
ATOM 2583 H  HB3  . ALA Cxp C 10  ? 13.525 7.455   81.619  1   116.371 ? 438 C 1 c
ATOM 2584 H  HB2  . ALA Cxp C 10  ? 12.487 6.396   81.058  1   115.999 ? 438 C 1 c
ATOM 2585 H  HB1  . ALA Cxp C 10  ? 12.357 6.92    82.547  1   115.879 ? 438 C 1 c
ATOM 2586 N  N    . LEU Cxp C 11  ? 10.979 7.592   78.931  1   93.004  ? 439 C 1 .
ATOM 2587 C  CA   . LEU Cxp C 11  ? 10.963 7.606   77.474  1   109.221 ? 439 C 1 .
ATOM 2588 C  C    . LEU Cxp C 11  ? 10.451 8.959   76.986  1   123.889 ? 439 C 1 .
ATOM 2589 O  O    . LEU Cxp C 11  ? 10.969 9.52    76.01   1   135.619 ? 439 C 1 .
ATOM 2590 C  CB   . LEU Cxp C 11  ? 10.105 6.483   76.889  1   112.528 ? 439 C 1 .
ATOM 2591 C  CG   . LEU Cxp C 11  ? 10.549 5.041   77.157  1   114.453 ? 439 C 1 .
ATOM 2592 C  CD1  . LEU Cxp C 11  ? 9.633  4.134   76.359  1   124.545 ? 439 C 1 .
ATOM 2593 C  CD2  . LEU Cxp C 11  ? 11.997 4.747   76.832  1   106.174 ? 439 C 1 .
ATOM 2594 H  H    . LEU Cxp C 11  ? 10.473 6.968   79.366  1   97.133  ? 439 C 1 c
ATOM 2595 H  HA   . LEU Cxp C 11  ? 11.896 7.496   77.158  1   108.89  ? 439 C 1 c
ATOM 2596 H  HB3  . LEU Cxp C 11  ? 10.061 6.614   75.914  1   112.361 ? 439 C 1 c
ATOM 2597 H  HB2  . LEU Cxp C 11  ? 9.188  6.591   77.23   1   112.148 ? 439 C 1 c
ATOM 2598 H  HG   . LEU Cxp C 11  ? 10.406 4.847   78.116  1   113.847 ? 439 C 1 c
ATOM 2599 H  HD11 . LEU Cxp C 11  ? 8.708  4.321   76.591  1   121.398 ? 439 C 1 c
ATOM 2600 H  HD12 . LEU Cxp C 11  ? 9.836  3.206   76.564  1   121.439 ? 439 C 1 c
ATOM 2601 H  HD13 . LEU Cxp C 11  ? 9.766  4.292   75.41   1   121.391 ? 439 C 1 c
ATOM 2602 H  HD21 . LEU Cxp C 11  ? 12.572 5.199   77.472  1   108.588 ? 439 C 1 c
ATOM 2603 H  HD22 . LEU Cxp C 11  ? 12.2   5.064   75.936  1   108.586 ? 439 C 1 c
ATOM 2604 H  HD23 . LEU Cxp C 11  ? 12.153 3.789   76.879  1   108.651 ? 439 C 1 c
ATOM 2605 N  N    . GLU Cxp C 12  ? 9.412  9.455   77.667  1   110.611 ? 440 C 1 .
ATOM 2606 C  CA   . GLU Cxp C 12  ? 8.685  10.622  77.207  1   102.64  ? 440 C 1 .
ATOM 2607 C  C    . GLU Cxp C 12  ? 9.465  11.909  77.442  1   97.66   ? 440 C 1 .
ATOM 2608 O  O    . GLU Cxp C 12  ? 9.091  12.947  76.894  1   123.551 ? 440 C 1 .
ATOM 2609 C  CB   . GLU Cxp C 12  ? 7.349  10.675  77.935  1   109.386 ? 440 C 1 .
ATOM 2610 C  CG   . GLU Cxp C 12  ? 6.415  9.563   77.477  1   126.719 ? 440 C 1 .
ATOM 2611 C  CD   . GLU Cxp C 12  ? 5.083  9.602   78.182  1   132.97  ? 440 C 1 .
ATOM 2612 O  OE1  . GLU Cxp C 12  ? 4.997  10.208  79.263  1   125.325 ? 440 C 1 .
ATOM 2613 O  OE2  . GLU Cxp C 12  ? 4.13   9.057   77.599  1   171.946 ? 440 C 1 .
ATOM 2614 H  H    . GLU Cxp C 12  ? 9.145  9.047   78.44   1   111.373 ? 440 C 1 c
ATOM 2615 H  HA   . GLU Cxp C 12  ? 8.518  10.524  76.235  1   104.647 ? 440 C 1 c
ATOM 2616 H  HB3  . GLU Cxp C 12  ? 6.928  11.544  77.767  1   111.406 ? 440 C 1 c
ATOM 2617 H  HB2  . GLU Cxp C 12  ? 7.509  10.599  78.899  1   111.517 ? 440 C 1 c
ATOM 2618 H  HG3  . GLU Cxp C 12  ? 6.836  8.694   77.644  1   123.739 ? 440 C 1 c
ATOM 2619 H  HG2  . GLU Cxp C 12  ? 6.264  9.646   76.512  1   124.133 ? 440 C 1 c
ATOM 2620 N  N    . LEU Cxp C 13  ? 10.512 11.845  78.277  1   84.879  ? 441 C 1 .
ATOM 2621 C  CA   . LEU Cxp C 13  ? 11.351 12.997  78.563  1   96.154  ? 441 C 1 .
ATOM 2622 C  C    . LEU Cxp C 13  ? 11.815 13.664  77.265  1   122.164 ? 441 C 1 .
ATOM 2623 O  O    . LEU Cxp C 13  ? 12.126 14.852  77.265  1   105.595 ? 441 C 1 .
ATOM 2624 C  CB   . LEU Cxp C 13  ? 12.544 12.538  79.404  1   99.625  ? 441 C 1 .
ATOM 2625 C  CG   . LEU Cxp C 13  ? 12.295 12.218  80.881  1   115.306 ? 441 C 1 .
ATOM 2626 C  CD1  . LEU Cxp C 13  ? 13.55  11.693  81.537  1   118.238 ? 441 C 1 .
ATOM 2627 C  CD2  . LEU Cxp C 13  ? 11.815 13.432  81.657  1   119.598 ? 441 C 1 .
ATOM 2628 H  H    . LEU Cxp C 13  ? 10.699 11.056  78.698  1   90.808  ? 441 C 1 c
ATOM 2629 H  HA   . LEU Cxp C 13  ? 10.817 13.651  79.081  1   98.876  ? 441 C 1 c
ATOM 2630 H  HB3  . LEU Cxp C 13  ? 13.232 13.242  79.359  1   102.338 ? 441 C 1 c
ATOM 2631 H  HB2  . LEU Cxp C 13  ? 12.931 11.741  78.975  1   102.048 ? 441 C 1 c
ATOM 2632 H  HG   . LEU Cxp C 13  ? 11.598 11.516  80.935  1   113.602 ? 441 C 1 c
ATOM 2633 H  HD11 . LEU Cxp C 13  ? 13.918 10.97   81.002  1   117.252 ? 441 C 1 c
ATOM 2634 H  HD12 . LEU Cxp C 13  ? 13.338 11.362  82.425  1   117.342 ? 441 C 1 c
ATOM 2635 H  HD13 . LEU Cxp C 13  ? 14.204 12.409  81.606  1   117.347 ? 441 C 1 c
ATOM 2636 H  HD21 . LEU Cxp C 13  ? 10.885 13.61   81.439  1   118.164 ? 441 C 1 c
ATOM 2637 H  HD22 . LEU Cxp C 13  ? 12.356 14.204  81.42   1   118.277 ? 441 C 1 c
ATOM 2638 H  HD23 . LEU Cxp C 13  ? 11.896 13.262  82.611  1   118.272 ? 441 C 1 c
ATOM 2639 N  N    . ARG Cxp C 14  ? 11.929 12.879  76.18   1   137.873 ? 442 C 1 .
ATOM 2640 C  CA   . ARG Cxp C 14  ? 12.461 13.371  74.92   1   133.144 ? 442 C 1 .
ATOM 2641 C  C    . ARG Cxp C 14  ? 11.471 14.319  74.248  1   107.164 ? 442 C 1 .
ATOM 2642 O  O    . ARG Cxp C 14  ? 11.895 15.311  73.668  1   102.228 ? 442 C 1 .
ATOM 2643 C  CB   . ARG Cxp C 14  ? 12.81  12.224  73.965  1   141.778 ? 442 C 1 .
ATOM 2644 C  CG   . ARG Cxp C 14  ? 13.526 12.669  72.688  1   137.701 ? 442 C 1 .
ATOM 2645 C  CD   . ARG Cxp C 14  ? 13.502 11.673  71.53   1   119.69  ? 442 C 1 .
ATOM 2646 N  NE   . ARG Cxp C 14  ? 12.344 11.771  70.631  1   141.063 ? 442 C 1 .
ATOM 2647 C  CZ   . ARG Cxp C 14  ? 11.443 10.812  70.344  1   161.672 ? 442 C 1 .
ATOM 2648 N  NH1  . ARG Cxp C 14  ? 11.323 9.738   71.106  1   135.74  ? 442 C 1 .
ATOM 2649 N  NH2  . ARG Cxp C 14  ? 10.619 10.95   69.314  1   191.81  ? 442 C 1 .
ATOM 2650 H  H    . ARG Cxp C 14  ? 11.689 11.999  76.235  1   131.934 ? 442 C 1 c
ATOM 2651 H  HA   . ARG Cxp C 14  ? 13.289 13.876  75.112  1   129.767 ? 442 C 1 c
ATOM 2652 H  HB3  . ARG Cxp C 14  ? 11.983 11.759  73.717  1   138.847 ? 442 C 1 c
ATOM 2653 H  HB2  . ARG Cxp C 14  ? 13.381 11.583  74.44   1   138.847 ? 442 C 1 c
ATOM 2654 H  HG3  . ARG Cxp C 14  ? 14.463 12.865  72.909  1   134.175 ? 442 C 1 c
ATOM 2655 H  HG2  . ARG Cxp C 14  ? 13.128 13.51   72.378  1   133.865 ? 442 C 1 c
ATOM 2656 H  HD3  . ARG Cxp C 14  ? 13.537 10.769  71.906  1   128.632 ? 442 C 1 c
ATOM 2657 H  HD2  . ARG Cxp C 14  ? 14.319 11.799  71.005  1   128.477 ? 442 C 1 c
ATOM 2658 H  HE   . ARG Cxp C 14  ? 12.221 12.537  70.236  1   140.539 ? 442 C 1 c
ATOM 2659 H  HH11 . ARG Cxp C 14  ? 11.172 9.828   71.972  1   143.251 ? 442 C 1 c
ATOM 2660 H  HH12 . ARG Cxp C 14  ? 11.393 8.934   70.745  1   143.251 ? 442 C 1 c
ATOM 2661 H  HH21 . ARG Cxp C 14  ? 10.23  11.73   69.164  1   181.969 ? 442 C 1 c
ATOM 2662 H  HH22 . ARG Cxp C 14  ? 10.463 10.262  68.781  1   181.969 ? 442 C 1 c
ATOM 2663 N  N    . THR Cxp C 15  ? 10.171 14.002  74.323  1   93.12   ? 443 C 1 .
ATOM 2664 C  CA   . THR Cxp C 15  ? 9.152  14.699  73.55   1   106.853 ? 443 C 1 .
ATOM 2665 C  C    . THR Cxp C 15  ? 8.61   15.912  74.298  1   116.227 ? 443 C 1 .
ATOM 2666 O  O    . THR Cxp C 15  ? 8.372  16.944  73.677  1   122.937 ? 443 C 1 .
ATOM 2667 C  CB   . THR Cxp C 15  ? 8.007  13.752  73.21   1   120.253 ? 443 C 1 .
ATOM 2668 O  OG1  . THR Cxp C 15  ? 7.358  13.334  74.41   1   110.194 ? 443 C 1 .
ATOM 2669 C  CG2  . THR Cxp C 15  ? 8.504  12.527  72.47   1   124.05  ? 443 C 1 .
ATOM 2670 H  H    . THR Cxp C 15  ? 9.909  13.322  74.876  1   99.88   ? 443 C 1 c
ATOM 2671 H  HA   . THR Cxp C 15  ? 9.557  15.006  72.71   1   108.009 ? 443 C 1 c
ATOM 2672 H  HB   . THR Cxp C 15  ? 7.355  14.223  72.638  1   116.372 ? 443 C 1 c
ATOM 2673 H  HG1  . THR Cxp C 15  ? 7.856  12.789  74.756  0   119.19  ? 443 C 1 c
ATOM 2674 H  HG21 . THR Cxp C 15  ? 7.757  12.087  72.031  1   122.846 ? 443 C 1 c
ATOM 2675 H  HG22 . THR Cxp C 15  ? 8.916  11.912  73.1    1   122.71  ? 443 C 1 c
ATOM 2676 H  HG23 . THR Cxp C 15  ? 9.16   12.794  71.804  1   122.771 ? 443 C 1 c
ATOM 2677 N  N    . LYS Cxp C 16  ? 8.382  15.763  75.611  1   114.453 ? 444 C 1 .
ATOM 2678 C  CA   . LYS Cxp C 16  ? 7.863  16.839  76.44   1   109.6   ? 444 C 1 .
ATOM 2679 C  C    . LYS Cxp C 16  ? 8.912  17.936  76.605  1   104.027 ? 444 C 1 .
ATOM 2680 O  O    . LYS Cxp C 16  ? 10.114 17.656  76.644  1   122.555 ? 444 C 1 .
ATOM 2681 C  CB   . LYS Cxp C 16  ? 7.421  16.275  77.794  1   117.491 ? 444 C 1 .
ATOM 2682 C  CG   . LYS Cxp C 16  ? 6.061  15.601  77.758  1   120.582 ? 444 C 1 .
ATOM 2683 C  CD   . LYS Cxp C 16  ? 5.678  14.843  79.021  1   110.049 ? 444 C 1 .
ATOM 2684 C  CE   . LYS Cxp C 16  ? 4.265  14.382  78.927  1   123.694 ? 444 C 1 .
ATOM 2685 N  NZ   . LYS Cxp C 16  ? 3.945  13.447  80.01   1   144.9   ? 444 C 1 .
ATOM 2686 H  H    . LYS Cxp C 16  ? 8.554  14.954  76.001  1   113.601 ? 444 C 1 c
ATOM 2687 H  HA   . LYS Cxp C 16  ? 7.071  17.224  75.985  1   110.573 ? 444 C 1 c
ATOM 2688 H  HB3  . LYS Cxp C 16  ? 7.389  17.005  78.449  1   116.276 ? 444 C 1 c
ATOM 2689 H  HB2  . LYS Cxp C 16  ? 8.086  15.623  78.104  1   116.319 ? 444 C 1 c
ATOM 2690 H  HG3  . LYS Cxp C 16  ? 6.047  14.977  77      1   117.402 ? 444 C 1 c
ATOM 2691 H  HG2  . LYS Cxp C 16  ? 5.381  16.289  77.585  1   117.429 ? 444 C 1 c
ATOM 2692 H  HD3  . LYS Cxp C 16  ? 5.778  15.43   79.802  1   115.458 ? 444 C 1 c
ATOM 2693 H  HD2  . LYS Cxp C 16  ? 6.269  14.067  79.129  1   115.578 ? 444 C 1 c
ATOM 2694 H  HE3  . LYS Cxp C 16  ? 4.121  13.939  78.072  1   124.98  ? 444 C 1 c
ATOM 2695 H  HE2  . LYS Cxp C 16  ? 3.666  15.148  78.98   1   124.998 ? 444 C 1 c
ATOM 2696 H  HZ1  . LYS Cxp C 16  ? 3.628  13.906  80.723  1   137.944 ? 444 C 1 c
ATOM 2697 H  HZ2  . LYS Cxp C 16  ? 4.681  12.98   80.258  1   137.629 ? 444 C 1 c
ATOM 2698 H  HZ3  . LYS Cxp C 16  ? 3.309  12.866  79.729  1   137.922 ? 444 C 1 c
ATOM 2699 N  N    . THR Cxp C 17  ? 8.426  19.179  76.738  1   80.301  ? 445 C 1 .
ATOM 2700 C  CA   . THR Cxp C 17  ? 9.297  20.323  76.973  1   86.982  ? 445 C 1 .
ATOM 2701 C  C    . THR Cxp C 17  ? 9.158  20.868  78.399  1   84.52   ? 445 C 1 .
ATOM 2702 O  O    . THR Cxp C 17  ? 8.283  20.457  79.161  1   113.001 ? 445 C 1 .
ATOM 2703 C  CB   . THR Cxp C 17  ? 8.97   21.402  75.945  1   98.722  ? 445 C 1 .
ATOM 2704 O  OG1  . THR Cxp C 17  ? 9.952  22.413  76.156  1   113.856 ? 445 C 1 .
ATOM 2705 C  CG2  . THR Cxp C 17  ? 7.561  21.968  76.063  1   86.15   ? 445 C 1 .
ATOM 2706 H  H    . THR Cxp C 17  ? 7.524  19.315  76.686  1   87.501  ? 445 C 1 c
ATOM 2707 H  HA   . THR Cxp C 17  ? 10.224 20.039  76.837  1   87.61   ? 445 C 1 c
ATOM 2708 H  HB   . THR Cxp C 17  ? 9.082  21.029  75.038  1   96.746  ? 445 C 1 c
ATOM 2709 H  HG1  . THR Cxp C 17  ? 9.794  22.756  76.811  0   107.47  ? 445 C 1 c
ATOM 2710 H  HG21 . THR Cxp C 17  ? 7.523  22.831  75.62   1   89.997  ? 445 C 1 c
ATOM 2711 H  HG22 . THR Cxp C 17  ? 7.327  22.073  76.997  1   89.933  ? 445 C 1 c
ATOM 2712 H  HG23 . THR Cxp C 17  ? 6.933  21.361  75.638  1   89.98   ? 445 C 1 c
ATOM 2713 N  N    . VAL Cxp C 18  ? 10.007 21.848  78.733  1   76.64   ? 446 C 1 .
ATOM 2714 C  CA   . VAL Cxp C 18  ? 9.976  22.543  80.02   1   81.019  ? 446 C 1 .
ATOM 2715 C  C    . VAL Cxp C 18  ? 8.667  23.309  80.191  1   83.572  ? 446 C 1 .
ATOM 2716 O  O    . VAL Cxp C 18  ? 8.14   23.464  81.292  1   116.257 ? 446 C 1 .
ATOM 2717 C  CB   . VAL Cxp C 18  ? 11.177 23.492  80.223  1   76.54   ? 446 C 1 .
ATOM 2718 C  CG1  . VAL Cxp C 18  ? 12.493 22.721  80.31   1   80.423  ? 446 C 1 .
ATOM 2719 C  CG2  . VAL Cxp C 18  ? 11.279 24.558  79.145  1   78.029  ? 446 C 1 .
ATOM 2720 H  H    . VAL Cxp C 18  ? 10.648 22.087  78.128  1   79.532  ? 446 C 1 c
ATOM 2721 H  HA   . VAL Cxp C 18  ? 10.015 21.864  80.721  1   79.997  ? 446 C 1 c
ATOM 2722 H  HB   . VAL Cxp C 18  ? 11.042 23.951  81.085  1   78.373  ? 446 C 1 c
ATOM 2723 H  HG11 . VAL Cxp C 18  ? 12.573 22.127  79.545  1   79.321  ? 446 C 1 c
ATOM 2724 H  HG12 . VAL Cxp C 18  ? 12.509 22.198  81.129  1   79.288  ? 446 C 1 c
ATOM 2725 H  HG13 . VAL Cxp C 18  ? 13.236 23.347  80.312  1   79.341  ? 446 C 1 c
ATOM 2726 H  HG21 . VAL Cxp C 18  ? 12.065 25.107  79.306  1   77.615  ? 446 C 1 c
ATOM 2727 H  HG22 . VAL Cxp C 18  ? 10.486 25.119  79.163  1   77.655  ? 446 C 1 c
ATOM 2728 H  HG23 . VAL Cxp C 18  ? 11.356 24.136  78.273  1   77.615  ? 446 C 1 c
ATOM 2729 N  N    . GLU Cxp C 19  ? 8.144  23.798  79.083  1   84.314  ? 447 C 1 .
ATOM 2730 C  CA   . GLU Cxp C 19  ? 6.893  24.517  79.111  1   92.428  ? 447 C 1 .
ATOM 2731 C  C    . GLU Cxp C 19  ? 5.77   23.588  79.561  1   79.772  ? 447 C 1 .
ATOM 2732 O  O    . GLU Cxp C 19  ? 4.797  24.038  80.12   1   81.407  ? 447 C 1 .
ATOM 2733 C  CB   . GLU Cxp C 19  ? 6.737  25.035  77.687  1   130.357 ? 447 C 1 .
ATOM 2734 C  CG   . GLU Cxp C 19  ? 5.459  25.815  77.409  1   144.833 ? 447 C 1 .
ATOM 2735 C  CD   . GLU Cxp C 19  ? 5.462  26.378  76.001  1   143.163 ? 447 C 1 .
ATOM 2736 O  OE1  . GLU Cxp C 19  ? 5.892  25.662  75.067  1   135.094 ? 447 C 1 .
ATOM 2737 O  OE2  . GLU Cxp C 19  ? 5.023  27.533  75.84   1   146.993 ? 447 C 1 .
ATOM 2738 H  H    . GLU Cxp C 19  ? 8.581  23.693  78.287  1   86.561  ? 447 C 1 c
ATOM 2739 H  HA   . GLU Cxp C 19  ? 6.971  25.275  79.745  1   94.159  ? 447 C 1 c
ATOM 2740 H  HB3  . GLU Cxp C 19  ? 6.758  24.274  77.075  1   122.054 ? 447 C 1 c
ATOM 2741 H  HB2  . GLU Cxp C 19  ? 7.503  25.607  77.475  1   122.928 ? 447 C 1 c
ATOM 2742 H  HG3  . GLU Cxp C 19  ? 5.379  26.554  78.05   1   141.007 ? 447 C 1 c
ATOM 2743 H  HG2  . GLU Cxp C 19  ? 4.682  25.226  77.516  1   140.665 ? 447 C 1 c
ATOM 2744 N  N    . ASP Cxp C 20  ? 5.889  22.292  79.304  1   87.761  ? 448 C 1 .
ATOM 2745 C  CA   . ASP Cxp C 20  ? 4.812  21.356  79.558  1   96.85   ? 448 C 1 .
ATOM 2746 C  C    . ASP Cxp C 20  ? 4.723  21.007  81.037  1   96.604  ? 448 C 1 .
ATOM 2747 O  O    . ASP Cxp C 20  ? 3.69   20.512  81.474  1   142.223 ? 448 C 1 .
ATOM 2748 C  CB   . ASP Cxp C 20  ? 4.998  20.073  78.764  1   122.2   ? 448 C 1 .
ATOM 2749 C  CG   . ASP Cxp C 20  ? 4.918  20.231  77.254  1   131.055 ? 448 C 1 .
ATOM 2750 O  OD1  . ASP Cxp C 20  ? 4.328  21.244  76.808  1   139.316 ? 448 C 1 .
ATOM 2751 O  OD2  . ASP Cxp C 20  ? 5.481  19.36   76.548  1   99.834  ? 448 C 1 .
ATOM 2752 H  H    . ASP Cxp C 20  ? 6.671  21.972  78.958  1   87.904  ? 448 C 1 c
ATOM 2753 H  HA   . ASP Cxp C 20  ? 3.963  21.771  79.281  1   99.109  ? 448 C 1 c
ATOM 2754 H  HB3  . ASP Cxp C 20  ? 4.307  19.434  79.037  1   117.604 ? 448 C 1 c
ATOM 2755 H  HB2  . ASP Cxp C 20  ? 5.869  19.684  78.987  1   117.69  ? 448 C 1 c
ATOM 2756 N  N    . VAL Cxp C 21  ? 5.772  21.262  81.828  1   81.207  ? 449 C 1 .
ATOM 2757 C  CA   . VAL Cxp C 21  ? 5.689  20.924  83.243  1   85.055  ? 449 C 1 .
ATOM 2758 C  C    . VAL Cxp C 21  ? 5.826  22.132  84.164  1   91.685  ? 449 C 1 .
ATOM 2759 O  O    . VAL Cxp C 21  ? 5.411  22.057  85.323  1   105.629 ? 449 C 1 .
ATOM 2760 C  CB   . VAL Cxp C 21  ? 6.741  19.868  83.589  1   88.408  ? 449 C 1 .
ATOM 2761 C  CG1  . VAL Cxp C 21  ? 6.371  18.533  82.956  1   98.084  ? 449 C 1 .
ATOM 2762 C  CG2  . VAL Cxp C 21  ? 8.137  20.317  83.173  1   86.223  ? 449 C 1 .
ATOM 2763 H  H    . VAL Cxp C 21  ? 6.537  21.628  81.489  1   85.459  ? 449 C 1 c
ATOM 2764 H  HA   . VAL Cxp C 21  ? 4.811  20.529  83.407  1   86.576  ? 449 C 1 c
ATOM 2765 H  HB   . VAL Cxp C 21  ? 6.734  19.754  84.568  1   89.087  ? 449 C 1 c
ATOM 2766 H  HG11 . VAL Cxp C 21  ? 6.368  18.622  81.988  1   95.03   ? 449 C 1 c
ATOM 2767 H  HG12 . VAL Cxp C 21  ? 5.488  18.263  83.258  1   95.044  ? 449 C 1 c
ATOM 2768 H  HG13 . VAL Cxp C 21  ? 7.022  17.859  83.215  1   95.09   ? 449 C 1 c
ATOM 2769 H  HG21 . VAL Cxp C 21  ? 8.795  19.69   83.517  1   86.996  ? 449 C 1 c
ATOM 2770 H  HG22 . VAL Cxp C 21  ? 8.317  21.202  83.532  1   86.931  ? 449 C 1 c
ATOM 2771 H  HG23 . VAL Cxp C 21  ? 8.195  20.343  82.204  1   86.981  ? 449 C 1 c
ATOM 2772 N  N    . MSE Cxp C 22  ? 6.389  23.223  83.64   1   77.875  ? 450 C 1 .
ATOM 2773 C  CA   . MSE Cxp C 22  ? 6.707  24.385  84.436  1   85.271  ? 450 C 1 .
ATOM 2774 C  C    . MSE Cxp C 22  ? 5.522  24.82   85.286  1   103.695 ? 450 C 1 .
ATOM 2775 O  O    . MSE Cxp C 22  ? 4.362  24.538  84.989  1   109.041 ? 450 C 1 .
ATOM 2776 C  CB   . MSE Cxp C 22  ? 7.104  25.55   83.54   1   94.706  ? 450 C 1 .
ATOM 2777 C  CG   . MSE Cxp C 22  ? 6.001  26.099  82.684  1   98.117  ? 450 C 1 .
ATOM 2778 SE SE   . MSE Cxp C 22  ? 6.688  27.704  81.767  1   113.336 ? 450 C 1 .
ATOM 2779 C  CE   . MSE Cxp C 22  ? 5.001  28.693  81.722  1   114.62  ? 450 C 1 .
ATOM 2780 H  H    . MSE Cxp C 22  ? 6.581  23.244  82.748  1   82.829  ? 450 C 1 c
ATOM 2781 H  HA   . MSE Cxp C 22  ? 7.461  24.16   85.029  1   88.673  ? 450 C 1 c
ATOM 2782 H  HB2  . MSE Cxp C 22  ? 7.813  25.27   82.969  1   93.259  ? 450 C 1 c
ATOM 2783 H  HB3  . MSE Cxp C 22  ? 7.432  26.257  84.084  1   93.138  ? 450 C 1 c
ATOM 2784 H  HG2  . MSE Cxp C 22  ? 5.226  26.341  83.234  1   99.819  ? 450 C 1 c
ATOM 2785 H  HG3  . MSE Cxp C 22  ? 5.721  25.433  82.022  1   99.582  ? 450 C 1 c
ATOM 2786 H  HE1  . MSE Cxp C 22  ? 4.836  29.008  80.82   1   114.104 ? 450 C 1 c
ATOM 2787 H  HE2  . MSE Cxp C 22  ? 5.055  29.449  82.325  1   113.773 ? 450 C 1 c
ATOM 2788 H  HE3  . MSE Cxp C 22  ? 4.278  28.109  81.999  1   114.066 ? 450 C 1 c
ATOM 2789 N  N    . THR Cxp C 23  ? 5.869  25.492  86.386  1   110.973 ? 451 C 1 .
ATOM 2790 C  CA   . THR Cxp C 23  ? 4.907  26.262  87.134  1   83.167  ? 451 C 1 .
ATOM 2791 C  C    . THR Cxp C 23  ? 4.887  27.63   86.47   1   73.421  ? 451 C 1 .
ATOM 2792 O  O    . THR Cxp C 23  ? 5.881  28.338  86.455  1   77.472  ? 451 C 1 .
ATOM 2793 C  CB   . THR Cxp C 23  ? 5.279  26.347  88.611  1   90.063  ? 451 C 1 .
ATOM 2794 O  OG1  . THR Cxp C 23  ? 5.68   25.057  89.064  1   109.868 ? 451 C 1 .
ATOM 2795 C  CG2  . THR Cxp C 23  ? 4.114  26.898  89.418  1   90.942  ? 451 C 1 .
ATOM 2796 H  H    . THR Cxp C 23  ? 6.735  25.466  86.678  1   101.902 ? 451 C 1 c
ATOM 2797 H  HA   . THR Cxp C 23  ? 4.028  25.839  87.052  1   87.476  ? 451 C 1 c
ATOM 2798 H  HB   . THR Cxp C 23  ? 6.039  26.968  88.712  1   92.598  ? 451 C 1 c
ATOM 2799 H  HG1  . THR Cxp C 23  ? 4.775  24.511  88.945  0   100.62  ? 451 C 1 c
ATOM 2800 H  HG21 . THR Cxp C 23  ? 4.291  26.777  90.366  1   90.655  ? 451 C 1 c
ATOM 2801 H  HG22 . THR Cxp C 23  ? 3.299  26.425  89.179  1   90.638  ? 451 C 1 c
ATOM 2802 H  HG23 . THR Cxp C 23  ? 4.006  27.845  89.228  1   90.588  ? 451 C 1 c
ATOM 2803 N  N    . PRO Cxp C 24  ? 3.765  28.039  85.854  1   79.717  ? 452 C 1 .
ATOM 2804 C  CA   . PRO Cxp C 24  ? 3.684  29.338  85.191  1   78.019  ? 452 C 1 .
ATOM 2805 C  C    . PRO Cxp C 24  ? 3.72   30.515  86.151  1   81.293  ? 452 C 1 .
ATOM 2806 O  O    . PRO Cxp C 24  ? 3.521  30.343  87.348  1   94.654  ? 452 C 1 .
ATOM 2807 C  CB   . PRO Cxp C 24  ? 2.364  29.276  84.438  1   78.26   ? 452 C 1 .
ATOM 2808 C  CG   . PRO Cxp C 24  ? 1.554  28.304  85.291  1   82.664  ? 452 C 1 .
ATOM 2809 C  CD   . PRO Cxp C 24  ? 2.529  27.257  85.723  1   89.027  ? 452 C 1 .
ATOM 2810 H  HA   . PRO Cxp C 24  ? 4.42   29.42   84.55   1   79.17   ? 452 C 1 c
ATOM 2811 H  HB3  . PRO Cxp C 24  ? 2.49   28.931  83.532  1   79.174  ? 452 C 1 c
ATOM 2812 H  HB2  . PRO Cxp C 24  ? 1.936  30.154  84.398  1   79.184  ? 452 C 1 c
ATOM 2813 H  HG3  . PRO Cxp C 24  ? 0.828  27.905  84.771  1   83.065  ? 452 C 1 c
ATOM 2814 H  HG2  . PRO Cxp C 24  ? 1.171  28.759  86.068  1   83.065  ? 452 C 1 c
ATOM 2815 H  HD3  . PRO Cxp C 24  ? 2.269  26.861  86.577  1   85.356  ? 452 C 1 c
ATOM 2816 H  HD2  . PRO Cxp C 24  ? 2.626  26.556  85.051  1   85.44   ? 452 C 1 c
ATOM 2817 N  N    . LEU Cxp C 25  ? 3.944  31.713  85.606  1   80.914  ? 453 C 1 .
ATOM 2818 C  CA   . LEU Cxp C 25  ? 4.186  32.886  86.432  1   80.103  ? 453 C 1 .
ATOM 2819 C  C    . LEU Cxp C 25  ? 2.932  33.367  87.181  1   82.112  ? 453 C 1 .
ATOM 2820 O  O    . LEU Cxp C 25  ? 3.07   33.914  88.266  1   76.532  ? 453 C 1 .
ATOM 2821 C  CB   . LEU Cxp C 25  ? 4.756  33.936  85.499  1   81.875  ? 453 C 1 .
ATOM 2822 C  CG   . LEU Cxp C 25  ? 5.789  34.866  86.117  1   92.882  ? 453 C 1 .
ATOM 2823 C  CD1  . LEU Cxp C 25  ? 7.001  34.143  86.598  1   108.25  ? 453 C 1 .
ATOM 2824 C  CD2  . LEU Cxp C 25  ? 6.195  35.838  85.063  1   96.735  ? 453 C 1 .
ATOM 2825 H  H    . LEU Cxp C 25  ? 3.933  31.802  84.697  1   80.842  ? 453 C 1 c
ATOM 2826 H  HA   . LEU Cxp C 25  ? 4.87   32.649  87.104  1   81.419  ? 453 C 1 c
ATOM 2827 H  HB3  . LEU Cxp C 25  ? 4.01   34.481  85.155  1   84.026  ? 453 C 1 c
ATOM 2828 H  HB2  . LEU Cxp C 25  ? 5.173  33.481  84.733  1   84.158  ? 453 C 1 c
ATOM 2829 H  HG   . LEU Cxp C 25  ? 5.374  35.356  86.873  1   94.116  ? 453 C 1 c
ATOM 2830 H  HD11 . LEU Cxp C 25  ? 6.82   33.746  87.466  1   103.089 ? 453 C 1 c
ATOM 2831 H  HD12 . LEU Cxp C 25  ? 7.744  34.766  86.677  1   103.157 ? 453 C 1 c
ATOM 2832 H  HD13 . LEU Cxp C 25  ? 7.234  33.443  85.965  1   102.978 ? 453 C 1 c
ATOM 2833 H  HD21 . LEU Cxp C 25  ? 5.408  36.297  84.723  1   95.415  ? 453 C 1 c
ATOM 2834 H  HD22 . LEU Cxp C 25  ? 6.632  35.364  84.335  1   95.599  ? 453 C 1 c
ATOM 2835 H  HD23 . LEU Cxp C 25  ? 6.81   36.489  85.439  1   95.587  ? 453 C 1 c
ATOM 2836 N  N    . ARG Cxp C 26  ? 1.729  33.144  86.613  1   93.63   ? 454 C 1 .
ATOM 2837 C  CA   . ARG Cxp C 26  ? 0.434  33.149  87.306  1   107.294 ? 454 C 1 .
ATOM 2838 C  C    . ARG Cxp C 26  ? 0.47   32.349  88.626  1   105.509 ? 454 C 1 .
ATOM 2839 O  O    . ARG Cxp C 26  ? -0.185 32.706  89.604  1   107.592 ? 454 C 1 .
ATOM 2840 C  CB   . ARG Cxp C 26  ? -0.674 32.583  86.381  1   119.746 ? 454 C 1 .
ATOM 2841 C  CG   . ARG Cxp C 26  ? -2.051 32.381  87.013  1   139.34  ? 454 C 1 .
ATOM 2842 C  CD   . ARG Cxp C 26  ? -2.973 31.227  86.514  1   131.035 ? 454 C 1 .
ATOM 2843 N  NE   . ARG Cxp C 26  ? -3.629 30.447  87.589  1   96.815  ? 454 C 1 .
ATOM 2844 C  CZ   . ARG Cxp C 26  ? -4.069 30.91   88.768  1   80.929  ? 454 C 1 .
ATOM 2845 N  NH1  . ARG Cxp C 26  ? -4.416 32.169  88.933  1   86.843  ? 454 C 1 .
ATOM 2846 N  NH2  . ARG Cxp C 26  ? -4.219 30.109  89.796  1   74.959  ? 454 C 1 .
ATOM 2847 H  H    . ARG Cxp C 26  ? 1.72   32.983  85.713  1   93.557  ? 454 C 1 c
ATOM 2848 H  HA   . ARG Cxp C 26  ? 0.206  34.089  87.52   1   106.256 ? 454 C 1 c
ATOM 2849 H  HB3  . ARG Cxp C 26  ? -0.366 31.719  86.031  1   120.967 ? 454 C 1 c
ATOM 2850 H  HB2  . ARG Cxp C 26  ? -0.772 33.189  85.616  1   120.954 ? 454 C 1 c
ATOM 2851 H  HG3  . ARG Cxp C 26  ? -2.548 33.223  86.915  1   132.444 ? 454 C 1 c
ATOM 2852 H  HG2  . ARG Cxp C 26  ? -1.926 32.265  87.977  1   131.354 ? 454 C 1 c
ATOM 2853 H  HD3  . ARG Cxp C 26  ? -2.445 30.619  85.956  1   123.605 ? 454 C 1 c
ATOM 2854 H  HD2  . ARG Cxp C 26  ? -3.659 31.629  85.946  1   123.659 ? 454 C 1 c
ATOM 2855 H  HE   . ARG Cxp C 26  ? -3.744 29.596  87.444  1   99.33   ? 454 C 1 c
ATOM 2856 H  HH11 . ARG Cxp C 26  ? -3.847 32.736  89.302  1   85.281  ? 454 C 1 c
ATOM 2857 H  HH12 . ARG Cxp C 26  ? -5.218 32.44   88.675  1   85.049  ? 454 C 1 c
ATOM 2858 H  HH21 . ARG Cxp C 26  ? -3.541 29.611  90.068  1   76.747  ? 454 C 1 c
ATOM 2859 H  HH22 . ARG Cxp C 26  ? -4.998 30.072  90.213  1   76.747  ? 454 C 1 c
ATOM 2860 N  N    . ASP Cxp C 27  ? 1.159  31.208  88.634  1   94.36   ? 455 C 1 .
ATOM 2861 C  CA   . ASP Cxp C 27  ? 1.175  30.295  89.755  1   103.228 ? 455 C 1 .
ATOM 2862 C  C    . ASP Cxp C 27  ? 2.524  30.306  90.479  1   101.708 ? 455 C 1 .
ATOM 2863 O  O    . ASP Cxp C 27  ? 2.752  29.492  91.366  1   125.128 ? 455 C 1 .
ATOM 2864 C  CB   . ASP Cxp C 27  ? 0.897  28.885  89.254  1   128.795 ? 455 C 1 .
ATOM 2865 C  CG   . ASP Cxp C 27  ? -0.521 28.634  88.769  1   119.717 ? 455 C 1 .
ATOM 2866 O  OD1  . ASP Cxp C 27  ? -1.367 29.52   89.012  1   103.379 ? 455 C 1 .
ATOM 2867 O  OD2  . ASP Cxp C 27  ? -0.756 27.549  88.192  1   107.827 ? 455 C 1 .
ATOM 2868 H  H    . ASP Cxp C 27  ? 1.637  30.981  87.889  1   98.856  ? 455 C 1 c
ATOM 2869 H  HA   . ASP Cxp C 27  ? 0.471  30.556  90.391  1   105.367 ? 455 C 1 c
ATOM 2870 H  HB3  . ASP Cxp C 27  ? 1.079  28.246  89.974  1   120.313 ? 455 C 1 c
ATOM 2871 H  HB2  . ASP Cxp C 27  ? 1.51   28.688  88.516  1   120.24  ? 455 C 1 c
ATOM 2872 N  N    . CYS Cxp C 28  ? 3.442  31.198  90.118  1   94.082  ? 456 C 1 .
ATOM 2873 C  CA   . CYS Cxp C 28  ? 4.743  31.201  90.775  1   93.729  ? 456 C 1 .
ATOM 2874 C  C    . CYS Cxp C 28  ? 4.69   31.973  92.094  1   90.061  ? 456 C 1 .
ATOM 2875 O  O    . CYS Cxp C 28  ? 4.099  33.041  92.178  1   100.17  ? 456 C 1 .
ATOM 2876 C  CB   . CYS Cxp C 28  ? 5.813  31.817  89.886  1   106.809 ? 456 C 1 .
ATOM 2877 S  SG   . CYS Cxp C 28  ? 6.403  30.67   88.618  1   108.468 ? 456 C 1 .
ATOM 2878 H  H    . CYS Cxp C 28  ? 3.265  31.814  89.467  1   95.85   ? 456 C 1 c
ATOM 2879 H  HA   . CYS Cxp C 28  ? 4.997  30.263  90.967  1   95.487  ? 456 C 1 c
ATOM 2880 H  HB3  . CYS Cxp C 28  ? 6.577  32.094  90.439  1   103.733 ? 456 C 1 c
ATOM 2881 H  HB2  . CYS Cxp C 28  ? 5.45   32.616  89.444  1   103.757 ? 456 C 1 c
ATOM 2882 H  HG   . CYS Cxp C 28  ? 7.216  31.731  87.995  0   103.06  ? 456 C 1 c
ATOM 2883 N  N    . PHE Cxp C 29  ? 5.31   31.426  93.133  1   84.023  ? 457 C 1 .
ATOM 2884 C  CA   . PHE Cxp C 29  ? 5.46   32.136  94.392  1   83.423  ? 457 C 1 .
ATOM 2885 C  C    . PHE Cxp C 29  ? 6.738  32.951  94.307  1   96.783  ? 457 C 1 .
ATOM 2886 O  O    . PHE Cxp C 29  ? 7.83   32.397  94.169  1   112.138 ? 457 C 1 .
ATOM 2887 C  CB   . PHE Cxp C 29  ? 5.608  31.197  95.589  1   83.601  ? 457 C 1 .
ATOM 2888 C  CG   . PHE Cxp C 29  ? 5.755  31.877  96.94   1   85.325  ? 457 C 1 .
ATOM 2889 C  CD1  . PHE Cxp C 29  ? 6.984  32.326  97.38   1   109.304 ? 457 C 1 .
ATOM 2890 C  CD2  . PHE Cxp C 29  ? 4.669  32.02   97.797  1   101.613 ? 457 C 1 .
ATOM 2891 C  CE1  . PHE Cxp C 29  ? 7.109  32.922  98.632  1   124.003 ? 457 C 1 .
ATOM 2892 C  CE2  . PHE Cxp C 29  ? 4.8    32.608  99.048  1   98.829  ? 457 C 1 .
ATOM 2893 C  CZ   . PHE Cxp C 29  ? 6.021  33.061  99.459  1   108.56  ? 457 C 1 .
ATOM 2894 H  H    . PHE Cxp C 29  ? 5.652  30.581  93.061  1   85.425  ? 457 C 1 c
ATOM 2895 H  HA   . PHE Cxp C 29  ? 4.682  32.738  94.535  1   86.041  ? 457 C 1 c
ATOM 2896 H  HB3  . PHE Cxp C 29  ? 6.392  30.624  95.438  1   84.166  ? 457 C 1 c
ATOM 2897 H  HB2  . PHE Cxp C 29  ? 4.819  30.611  95.618  1   84.078  ? 457 C 1 c
ATOM 2898 H  HD1  . PHE Cxp C 29  ? 7.742  32.233  96.826  1   106.085 ? 457 C 1 c
ATOM 2899 H  HD2  . PHE Cxp C 29  ? 3.822  31.707  97.521  1   97.149  ? 457 C 1 c
ATOM 2900 H  HE1  . PHE Cxp C 29  ? 7.952  33.234  98.916  1   115.967 ? 457 C 1 c
ATOM 2901 H  HE2  . PHE Cxp C 29  ? 4.045  32.706  99.606  1   101.741 ? 457 C 1 c
ATOM 2902 H  HZ   . PHE Cxp C 29  ? 6.116  33.471  100.304 1   109.315 ? 457 C 1 c
ATOM 2903 N  N    . MSE Cxp C 30  ? 6.589  34.268  94.39   1   90.093  ? 458 C 1 .
ATOM 2904 C  CA   . MSE Cxp C 30  ? 7.74   35.126  94.211  1   94.687  ? 458 C 1 .
ATOM 2905 C  C    . MSE Cxp C 30  ? 7.747  36.126  95.345  1   91.706  ? 458 C 1 .
ATOM 2906 O  O    . MSE Cxp C 30  ? 6.829  36.118  96.148  1   90.653  ? 458 C 1 .
ATOM 2907 C  CB   . MSE Cxp C 30  ? 7.682  35.791  92.837  1   100.718 ? 458 C 1 .
ATOM 2908 C  CG   . MSE Cxp C 30  ? 7.566  34.772  91.729  1   114.689 ? 458 C 1 .
ATOM 2909 SE SE   . MSE Cxp C 30  ? 7.51   35.616  90.008  1   118.337 ? 458 C 1 .
ATOM 2910 C  CE   . MSE Cxp C 30  ? 9.265  36.435  90.091  1   134.459 ? 458 C 1 .
ATOM 2911 H  H    . MSE Cxp C 30  ? 5.77   34.638  94.558  1   92.543  ? 458 C 1 c
ATOM 2912 H  HA   . MSE Cxp C 30  ? 8.556  34.579  94.27   1   94.372  ? 458 C 1 c
ATOM 2913 H  HB2  . MSE Cxp C 30  ? 8.471  36.302  92.705  1   102.731 ? 458 C 1 c
ATOM 2914 H  HB3  . MSE Cxp C 30  ? 6.93   36.377  92.798  1   102.435 ? 458 C 1 c
ATOM 2915 H  HG2  . MSE Cxp C 30  ? 6.749  34.243  91.85   1   111.492 ? 458 C 1 c
ATOM 2916 H  HG3  . MSE Cxp C 30  ? 8.332  34.16   91.764  1   111.674 ? 458 C 1 c
ATOM 2917 H  HE1  . MSE Cxp C 30  ? 9.362  37.061  89.361  1   129.724 ? 458 C 1 c
ATOM 2918 H  HE2  . MSE Cxp C 30  ? 9.943  35.746  90.024  1   130.082 ? 458 C 1 c
ATOM 2919 H  HE3  . MSE Cxp C 30  ? 9.364  36.903  90.931  1   129.329 ? 458 C 1 c
ATOM 2920 N  N    . ILE Cxp C 31  ? 8.804  36.936  95.408  1   98.152  ? 459 C 1 .
ATOM 2921 C  CA   . ILE Cxp C 31  ? 8.885  37.995  96.392  1   90.067  ? 459 C 1 .
ATOM 2922 C  C    . ILE Cxp C 31  ? 9.575  39.223  95.798  1   87.771  ? 459 C 1 .
ATOM 2923 O  O    . ILE Cxp C 31  ? 10.55  39.105  95.05   1   81.413  ? 459 C 1 .
ATOM 2924 C  CB   . ILE Cxp C 31  ? 9.599  37.48   97.644  1   94.146  ? 459 C 1 .
ATOM 2925 C  CG1  . ILE Cxp C 31  ? 9.515  38.545  98.737  1   112.883 ? 459 C 1 .
ATOM 2926 C  CG2  . ILE Cxp C 31  ? 11.036 37.057  97.315  1   86.353  ? 459 C 1 .
ATOM 2927 C  CD1  . ILE Cxp C 31  ? 10.095 38.109  100.062 1   120.207 ? 459 C 1 .
ATOM 2928 H  H    . ILE Cxp C 31  ? 9.493  36.827  94.817  1   94.653  ? 459 C 1 c
ATOM 2929 H  HA   . ILE Cxp C 31  ? 7.975  38.247  96.644  1   91.952  ? 459 C 1 c
ATOM 2930 H  HB   . ILE Cxp C 31  ? 9.117  36.69   97.96   1   95.069  ? 459 C 1 c
ATOM 2931 H  HG12 . ILE Cxp C 31  ? 8.575  38.787  98.869  1   109.691 ? 459 C 1 c
ATOM 2932 H  HG13 . ILE Cxp C 31  ? 9.991  39.345  98.436  1   109.489 ? 459 C 1 c
ATOM 2933 H  HG21 . ILE Cxp C 31  ? 11.383 36.499  98.031  1   88.745  ? 459 C 1 c
ATOM 2934 H  HG22 . ILE Cxp C 31  ? 11.596 37.847  97.224  1   88.644  ? 459 C 1 c
ATOM 2935 H  HG23 . ILE Cxp C 31  ? 11.05  36.557  96.484  1   88.817  ? 459 C 1 c
ATOM 2936 H  HD11 . ILE Cxp C 31  ? 9.768  37.217  100.285 1   117.948 ? 459 C 1 c
ATOM 2937 H  HD12 . ILE Cxp C 31  ? 9.825  38.737  100.759 1   117.948 ? 459 C 1 c
ATOM 2938 H  HD13 . ILE Cxp C 31  ? 11.069 38.091  100.003 1   117.815 ? 459 C 1 c
ATOM 2939 N  N    . THR Cxp C 32  ? 9.062  40.406  96.167  1   87.908  ? 460 C 1 .
ATOM 2940 C  CA   . THR Cxp C 32  ? 9.594  41.659  95.656  1   95.988  ? 460 C 1 .
ATOM 2941 C  C    . THR Cxp C 32  ? 10.996 41.849  96.217  1   92.986  ? 460 C 1 .
ATOM 2942 O  O    . THR Cxp C 32  ? 11.238 41.495  97.365  1   85.896  ? 460 C 1 .
ATOM 2943 C  CB   . THR Cxp C 32  ? 8.663  42.821  96.01   1   104.237 ? 460 C 1 .
ATOM 2944 O  OG1  . THR Cxp C 32  ? 9.25   43.994  95.458  1   149.143 ? 460 C 1 .
ATOM 2945 C  CG2  . THR Cxp C 32  ? 8.456  43.016  97.499  1   88.708  ? 460 C 1 .
ATOM 2946 H  H    . THR Cxp C 32  ? 8.356  40.427  96.746  1   89.771  ? 460 C 1 c
ATOM 2947 H  HA   . THR Cxp C 32  ? 9.65   41.593  94.679  1   95.188  ? 460 C 1 c
ATOM 2948 H  HB   . THR Cxp C 32  ? 7.784  42.671  95.587  1   106.986 ? 460 C 1 c
ATOM 2949 H  HG1  . THR Cxp C 32  ? 10.109 44.154  95.792  0   98.9    ? 460 C 1 c
ATOM 2950 H  HG21 . THR Cxp C 32  ? 7.806  43.724  97.644  1   93.05   ? 460 C 1 c
ATOM 2951 H  HG22 . THR Cxp C 32  ? 9.298  43.263  97.916  1   93.076  ? 460 C 1 c
ATOM 2952 H  HG23 . THR Cxp C 32  ? 8.128  42.193  97.896  1   93      ? 460 C 1 c
ATOM 2953 N  N    . GLY Cxp C 33  ? 11.894 42.413  95.396  1   98.46   ? 461 C 1 .
ATOM 2954 C  CA   . GLY Cxp C 33  ? 13.27  42.691  95.787  1   95.548  ? 461 C 1 .
ATOM 2955 C  C    . GLY Cxp C 33  ? 13.343 43.736  96.901  1   98.191  ? 461 C 1 .
ATOM 2956 O  O    . GLY Cxp C 33  ? 14.312 43.791  97.653  1   94.128  ? 461 C 1 .
ATOM 2957 H  H    . GLY Cxp C 33  ? 11.633 42.636  94.548  1   96.456  ? 461 C 1 c
ATOM 2958 H  HA3  . GLY Cxp C 33  ? 13.769 43.014  95      1   96.817  ? 461 C 1 c
ATOM 2959 H  HA2  . GLY Cxp C 33  ? 13.693 41.856  96.093  1   96.811  ? 461 C 1 c
ATOM 2960 N  N    . GLU Cxp C 34  ? 12.293 44.559  96.986  1   125.362 ? 462 C 1 .
ATOM 2961 C  CA   . GLU Cxp C 34  ? 12.175 45.646  97.941  1   119.082 ? 462 C 1 .
ATOM 2962 C  C    . GLU Cxp C 34  ? 11.968 45.075  99.34   1   98.303  ? 462 C 1 .
ATOM 2963 O  O    . GLU Cxp C 34  ? 12.107 45.807  100.309 1   118.964 ? 462 C 1 .
ATOM 2964 C  CB   . GLU Cxp C 34  ? 10.933 46.535  97.738  1   145.231 ? 462 C 1 .
ATOM 2965 C  CG   . GLU Cxp C 34  ? 10.565 46.978  96.319  1   149.605 ? 462 C 1 .
ATOM 2966 C  CD   . GLU Cxp C 34  ? 11.485 47.982  95.664  1   156.47  ? 462 C 1 .
ATOM 2967 O  OE1  . GLU Cxp C 34  ? 11.853 48.948  96.357  1   158.262 ? 462 C 1 .
ATOM 2968 O  OE2  . GLU Cxp C 34  ? 11.806 47.811  94.468  1   178.289 ? 462 C 1 .
ATOM 2969 H  H    . GLU Cxp C 34  ? 11.603 44.435  96.4    1   116.996 ? 462 C 1 c
ATOM 2970 H  HA   . GLU Cxp C 34  ? 13.004 46.189  97.921  1   120.317 ? 462 C 1 c
ATOM 2971 H  HB3  . GLU Cxp C 34  ? 11.047 47.345  98.278  1   139.815 ? 462 C 1 c
ATOM 2972 H  HB2  . GLU Cxp C 34  ? 10.154 46.057  98.093  1   139.503 ? 462 C 1 c
ATOM 2973 H  HG3  . GLU Cxp C 34  ? 9.663  47.363  96.338  1   150.105 ? 462 C 1 c
ATOM 2974 H  HG2  . GLU Cxp C 34  ? 10.522 46.187  95.743  1   149.885 ? 462 C 1 c
ATOM 2975 N  N    . ALA Cxp C 35  ? 11.57  43.795  99.43   1   95.848  ? 463 C 1 .
ATOM 2976 C  CA   . ALA Cxp C 35  ? 10.926 43.263  100.623 1   103.283 ? 463 C 1 .
ATOM 2977 C  C    . ALA Cxp C 35  ? 11.88  43.349  101.799 1   92.933  ? 463 C 1 .
ATOM 2978 O  O    . ALA Cxp C 35  ? 13.091 43.288  101.623 1   87.168  ? 463 C 1 .
ATOM 2979 C  CB   . ALA Cxp C 35  ? 10.479 41.827  100.422 1   106.862 ? 463 C 1 .
ATOM 2980 H  H    . ALA Cxp C 35  ? 11.703 43.233  98.723  1   98.423  ? 463 C 1 c
ATOM 2981 H  HA   . ALA Cxp C 35  ? 10.129 43.827  100.825 1   100.43  ? 463 C 1 c
ATOM 2982 H  HB3  . ALA Cxp C 35  ? 10.1   41.483  101.249 1   105.673 ? 463 C 1 c
ATOM 2983 H  HB2  . ALA Cxp C 35  ? 11.241 41.28   100.167 1   105.731 ? 463 C 1 c
ATOM 2984 H  HB1  . ALA Cxp C 35  ? 9.808  41.788  99.721  1   105.595 ? 463 C 1 c
ATOM 2985 N  N    . ILE Cxp C 36  ? 11.317 43.457  103.001 1   93.457  ? 464 C 1 .
ATOM 2986 C  CA   . ILE Cxp C 36  ? 12.151 43.483  104.19  1   108.477 ? 464 C 1 .
ATOM 2987 C  C    . ILE Cxp C 36  ? 11.759 42.286  105.043 1   104.447 ? 464 C 1 .
ATOM 2988 O  O    . ILE Cxp C 36  ? 10.594 41.883  105.017 1   105.476 ? 464 C 1 .
ATOM 2989 C  CB   . ILE Cxp C 36  ? 12.065 44.822  104.959 1   114.036 ? 464 C 1 .
ATOM 2990 C  CG1  . ILE Cxp C 36  ? 10.964 44.83   106.041 1   127.394 ? 464 C 1 .
ATOM 2991 C  CG2  . ILE Cxp C 36  ? 11.942 46.012  104.006 1   92.295  ? 464 C 1 .
ATOM 2992 C  CD1  . ILE Cxp C 36  ? 11.479 44.612  107.451 1   121.992 ? 464 C 1 .
ATOM 2993 H  H    . ILE Cxp C 36  ? 10.409 43.514  103.086 1   96.586  ? 464 C 1 c
ATOM 2994 H  HA   . ILE Cxp C 36  ? 13.076 43.361  103.912 1   105.223 ? 464 C 1 c
ATOM 2995 H  HB   . ILE Cxp C 36  ? 12.917 44.926  105.428 1   110.952 ? 464 C 1 c
ATOM 2996 H  HG12 . ILE Cxp C 36  ? 10.304 44.139  105.834 1   122.668 ? 464 C 1 c
ATOM 2997 H  HG13 . ILE Cxp C 36  ? 10.505 45.694  106.01  1   122.746 ? 464 C 1 c
ATOM 2998 H  HG21 . ILE Cxp C 36  ? 12.183 46.829  104.473 1   98.204  ? 464 C 1 c
ATOM 2999 H  HG22 . ILE Cxp C 36  ? 11.026 46.081  103.687 1   98.184  ? 464 C 1 c
ATOM 3000 H  HG23 . ILE Cxp C 36  ? 12.538 45.886  103.248 1   98.184  ? 464 C 1 c
ATOM 3001 H  HD11 . ILE Cxp C 36  ? 11.882 43.728  107.526 1   122.897 ? 464 C 1 c
ATOM 3002 H  HD12 . ILE Cxp C 36  ? 10.74  44.688  108.084 1   123.334 ? 464 C 1 c
ATOM 3003 H  HD13 . ILE Cxp C 36  ? 12.149 45.291  107.654 1   123.164 ? 464 C 1 c
ATOM 3004 N  N    . LEU Cxp C 37  ? 12.748 41.73   105.76  1   88.706  ? 465 C 1 .
ATOM 3005 C  CA   . LEU Cxp C 37  ? 12.575 40.479  106.483 1   99.695  ? 465 C 1 .
ATOM 3006 C  C    . LEU Cxp C 37  ? 12.264 40.752  107.956 1   101.76  ? 465 C 1 .
ATOM 3007 O  O    . LEU Cxp C 37  ? 13.046 40.39   108.851 1   98.034  ? 465 C 1 .
ATOM 3008 C  CB   . LEU Cxp C 37  ? 13.793 39.575  106.304 1   94.578  ? 465 C 1 .
ATOM 3009 C  CG   . LEU Cxp C 37  ? 14.209 39.332  104.85  1   113.775 ? 465 C 1 .
ATOM 3010 C  CD1  . LEU Cxp C 37  ? 15.463 38.49   104.808 1   136.19  ? 465 C 1 .
ATOM 3011 C  CD2  . LEU Cxp C 37  ? 13.122 38.657  104.043 1   117.681 ? 465 C 1 .
ATOM 3012 H  H    . LEU Cxp C 37  ? 13.559 42.149  105.799 1   94.948  ? 465 C 1 c
ATOM 3013 H  HA   . LEU Cxp C 37  ? 11.788 40.017  106.098 1   97.056  ? 465 C 1 c
ATOM 3014 H  HB3  . LEU Cxp C 37  ? 13.597 38.706  106.721 1   99.872  ? 465 C 1 c
ATOM 3015 H  HB2  . LEU Cxp C 37  ? 14.552 39.976  106.784 1   100.231 ? 465 C 1 c
ATOM 3016 H  HG   . LEU Cxp C 37  ? 14.409 40.208  104.431 1   114.304 ? 465 C 1 c
ATOM 3017 H  HD11 . LEU Cxp C 37  ? 16.146 38.897  105.367 1   128.855 ? 465 C 1 c
ATOM 3018 H  HD12 . LEU Cxp C 37  ? 15.785 38.434  103.893 1   128.957 ? 465 C 1 c
ATOM 3019 H  HD13 . LEU Cxp C 37  ? 15.266 37.597  105.136 1   129.024 ? 465 C 1 c
ATOM 3020 H  HD21 . LEU Cxp C 37  ? 12.419 39.298  103.843 1   116.459 ? 465 C 1 c
ATOM 3021 H  HD22 . LEU Cxp C 37  ? 12.749 37.918  104.553 1   116.524 ? 465 C 1 c
ATOM 3022 H  HD23 . LEU Cxp C 37  ? 13.495 38.318  103.212 1   116.632 ? 465 C 1 c
ATOM 3023 N  N    . ASP Cxp C 38  ? 11.081 41.353  108.169 1   86.329  ? 466 C 1 .
ATOM 3024 C  CA   . ASP Cxp C 38  ? 10.447 41.4    109.472 1   101.179 ? 466 C 1 .
ATOM 3025 C  C    . ASP Cxp C 38  ? 9.93   40.014  109.837 1   101.941 ? 466 C 1 .
ATOM 3026 O  O    . ASP Cxp C 38  ? 10.298 39.034  109.196 1   111.118 ? 466 C 1 .
ATOM 3027 C  CB   . ASP Cxp C 38  ? 9.305  42.398  109.474 1   126.811 ? 466 C 1 .
ATOM 3028 C  CG   . ASP Cxp C 38  ? 8.289  42.201  108.364 1   124.959 ? 466 C 1 .
ATOM 3029 O  OD1  . ASP Cxp C 38  ? 7.94   41.04   108.089 1   122.291 ? 466 C 1 .
ATOM 3030 O  OD2  . ASP Cxp C 38  ? 7.864  43.211  107.781 1   155.674 ? 466 C 1 .
ATOM 3031 H  H    . ASP Cxp C 38  ? 10.656 41.747  107.463 1   93.716  ? 466 C 1 c
ATOM 3032 H  HA   . ASP Cxp C 38  ? 11.115 41.679  110.138 1   102.387 ? 466 C 1 c
ATOM 3033 H  HB3  . ASP Cxp C 38  ? 9.685  43.295  109.377 1   120.169 ? 466 C 1 c
ATOM 3034 H  HB2  . ASP Cxp C 38  ? 8.834  42.376  110.331 1   119.893 ? 466 C 1 c
ATOM 3035 N  N    . PHE Cxp C 39  ? 9.104  39.94   110.892 1   107.328 ? 467 C 1 .
ATOM 3036 C  CA   . PHE Cxp C 39  ? 8.493  38.681  111.287 1   105.122 ? 467 C 1 .
ATOM 3037 C  C    . PHE Cxp C 39  ? 7.599  38.19   110.156 1   107.444 ? 467 C 1 .
ATOM 3038 O  O    . PHE Cxp C 39  ? 7.866  37.13   109.6   1   105.894 ? 467 C 1 .
ATOM 3039 C  CB   . PHE Cxp C 39  ? 7.632  38.694  112.553 1   101.385 ? 467 C 1 .
ATOM 3040 C  CG   . PHE Cxp C 39  ? 7.378  37.288  113.075 1   104.941 ? 467 C 1 .
ATOM 3041 C  CD1  . PHE Cxp C 39  ? 6.553  36.402  112.379 1   127.546 ? 467 C 1 .
ATOM 3042 C  CD2  . PHE Cxp C 39  ? 7.989  36.84   114.242 1   96.676  ? 467 C 1 .
ATOM 3043 C  CE1  . PHE Cxp C 39  ? 6.337  35.107  112.843 1   146.687 ? 467 C 1 .
ATOM 3044 C  CE2  . PHE Cxp C 39  ? 7.775  35.541  114.702 1   107.42  ? 467 C 1 .
ATOM 3045 C  CZ   . PHE Cxp C 39  ? 6.95   34.676  114.006 1   129.793 ? 467 C 1 .
ATOM 3046 H  H    . PHE Cxp C 39  ? 8.936  40.685  111.393 1   105.762 ? 467 C 1 c
ATOM 3047 H  HA   . PHE Cxp C 39  ? 9.221  38.017  111.417 1   105.287 ? 467 C 1 c
ATOM 3048 H  HB3  . PHE Cxp C 39  ? 6.772  39.127  112.355 1   103.264 ? 467 C 1 c
ATOM 3049 H  HB2  . PHE Cxp C 39  ? 8.093  39.217  113.245 1   103.027 ? 467 C 1 c
ATOM 3050 H  HD1  . PHE Cxp C 39  ? 6.13   36.687  111.586 1   125.234 ? 467 C 1 c
ATOM 3051 H  HD2  . PHE Cxp C 39  ? 8.56   37.419  114.721 1   101.531 ? 467 C 1 c
ATOM 3052 H  HE1  . PHE Cxp C 39  ? 5.768  34.524  112.366 1   136.961 ? 467 C 1 c
ATOM 3053 H  HE2  . PHE Cxp C 39  ? 8.189  35.255  115.495 1   109.698 ? 467 C 1 c
ATOM 3054 H  HZ   . PHE Cxp C 39  ? 6.799  33.803  114.327 1   127.151 ? 467 C 1 c
ATOM 3055 N  N    . ASN Cxp C 40  ? 6.555  38.966  109.824 1   124.776 ? 468 C 1 .
ATOM 3056 C  CA   . ASN Cxp C 40  ? 5.486  38.471  108.974 1   131.189 ? 468 C 1 .
ATOM 3057 C  C    . ASN Cxp C 40  ? 5.981  38.07   107.6   1   119.223 ? 468 C 1 .
ATOM 3058 O  O    . ASN Cxp C 40  ? 5.435  37.126  107.043 1   150.293 ? 468 C 1 .
ATOM 3059 C  CB   . ASN Cxp C 40  ? 4.39   39.488  108.751 1   133.975 ? 468 C 1 .
ATOM 3060 C  CG   . ASN Cxp C 40  ? 3.797  39.853  110.075 1   147.41  ? 468 C 1 .
ATOM 3061 O  OD1  . ASN Cxp C 40  ? 4.045  39.178  111.077 1   176.319 ? 468 C 1 .
ATOM 3062 N  ND2  . ASN Cxp C 40  ? 3.061  40.942  110.103 1   180.474 ? 468 C 1 .
ATOM 3063 H  H    . ASN Cxp C 40  ? 6.519  39.827  110.129 1   121.499 ? 468 C 1 c
ATOM 3064 H  HA   . ASN Cxp C 40  ? 5.084  37.684  109.406 1   128.502 ? 468 C 1 c
ATOM 3065 H  HB3  . ASN Cxp C 40  ? 3.698  39.11   108.172 1   136.188 ? 468 C 1 c
ATOM 3066 H  HB2  . ASN Cxp C 40  ? 4.759  40.286  108.321 1   136.19  ? 468 C 1 c
ATOM 3067 H  HD21 . ASN Cxp C 40  ? 3.159  41.525  110.765 1   169.559 ? 468 C 1 c
ATOM 3068 H  HD22 . ASN Cxp C 40  ? 2.469  41.092  109.46  1   169.56  ? 468 C 1 c
ATOM 3069 N  N    . THR Cxp C 41  ? 6.969  38.802  107.078 1   98.072  ? 469 C 1 .
ATOM 3070 C  CA   . THR Cxp C 41  ? 7.574  38.459  105.805 1   106.443 ? 469 C 1 .
ATOM 3071 C  C    . THR Cxp C 41  ? 8.186  37.067  105.899 1   101.171 ? 469 C 1 .
ATOM 3072 O  O    . THR Cxp C 41  ? 7.835  36.174  105.118 1   121.33  ? 469 C 1 .
ATOM 3073 C  CB   . THR Cxp C 41  ? 8.629  39.477  105.391 1   100.9   ? 469 C 1 .
ATOM 3074 O  OG1  . THR Cxp C 41  ? 7.992  40.743  105.353 1   109.773 ? 469 C 1 .
ATOM 3075 C  CG2  . THR Cxp C 41  ? 9.129  39.231  103.986 1   102.527 ? 469 C 1 .
ATOM 3076 H  H    . THR Cxp C 41  ? 7.269  39.541  107.524 1   104.928 ? 469 C 1 c
ATOM 3077 H  HA   . THR Cxp C 41  ? 6.868  38.447  105.123 1   102.767 ? 469 C 1 c
ATOM 3078 H  HB   . THR Cxp C 41  ? 9.379  39.494  106.032 1   103.611 ? 469 C 1 c
ATOM 3079 H  HG1  . THR Cxp C 41  ? 7.188  40.829  104.891 0   123.8   ? 469 C 1 c
ATOM 3080 H  HG21 . THR Cxp C 41  ? 9.347  40.079  103.564 1   102.099 ? 469 C 1 c
ATOM 3081 H  HG22 . THR Cxp C 41  ? 8.44   38.782  103.468 1   102.069 ? 469 C 1 c
ATOM 3082 H  HG23 . THR Cxp C 41  ? 9.924  38.673  104.018 1   101.977 ? 469 C 1 c
ATOM 3083 N  N    . MSE Cxp C 42  ? 9.097  36.905  106.862 1   79.487  ? 470 C 1 .
ATOM 3084 C  CA   . MSE Cxp C 42  ? 9.767  35.632  107.059 1   83.461  ? 470 C 1 .
ATOM 3085 C  C    . MSE Cxp C 42  ? 8.729  34.528  107.307 1   77.168  ? 470 C 1 .
ATOM 3086 O  O    . MSE Cxp C 42  ? 8.942  33.382  106.91  1   74.573  ? 470 C 1 .
ATOM 3087 C  CB   . MSE Cxp C 42  ? 10.806 35.765  108.182 1   100.833 ? 470 C 1 .
ATOM 3088 C  CG   . MSE Cxp C 42  ? 12.124 36.483  107.799 1   93.856  ? 470 C 1 .
ATOM 3089 SE SE   . MSE Cxp C 42  ? 13.348 36.728  109.345 1   115.032 ? 470 C 1 .
ATOM 3090 C  CE   . MSE Cxp C 42  ? 13.653 34.88   109.956 1   102.572 ? 470 C 1 .
ATOM 3091 H  H    . MSE Cxp C 42  ? 9.307  37.606  107.41  1   85.71   ? 470 C 1 c
ATOM 3092 H  HA   . MSE Cxp C 42  ? 10.242 35.416  106.225 1   84.402  ? 470 C 1 c
ATOM 3093 H  HB2  . MSE Cxp C 42  ? 11.027 34.892  108.495 1   94.923  ? 470 C 1 c
ATOM 3094 H  HB3  . MSE Cxp C 42  ? 10.411 36.241  108.908 1   94.904  ? 470 C 1 c
ATOM 3095 H  HG2  . MSE Cxp C 42  ? 11.912 37.362  107.42  1   98.86   ? 470 C 1 c
ATOM 3096 H  HG3  . MSE Cxp C 42  ? 12.586 35.963  107.107 1   98.853  ? 470 C 1 c
ATOM 3097 H  HE1  . MSE Cxp C 42  ? 13.786 34.876  110.917 1   105.222 ? 470 C 1 c
ATOM 3098 H  HE2  . MSE Cxp C 42  ? 14.44  34.521  109.518 1   105.155 ? 470 C 1 c
ATOM 3099 H  HE3  . MSE Cxp C 42  ? 12.881 34.335  109.734 1   105.158 ? 470 C 1 c
ATOM 3100 N  N    . SER Cxp C 43  ? 7.614  34.889  107.959 1   90.93   ? 471 C 1 .
ATOM 3101 C  CA   . SER Cxp C 43  ? 6.548  33.976  108.353 1   101.739 ? 471 C 1 .
ATOM 3102 C  C    . SER Cxp C 43  ? 5.795  33.458  107.137 1   93.426  ? 471 C 1 .
ATOM 3103 O  O    . SER Cxp C 43  ? 5.509  32.268  107.075 1   89.289  ? 471 C 1 .
ATOM 3104 C  CB   . SER Cxp C 43  ? 5.589  34.637  109.322 1   116.818 ? 471 C 1 .
ATOM 3105 O  OG   . SER Cxp C 43  ? 4.456  33.843  109.642 1   121.881 ? 471 C 1 .
ATOM 3106 H  H    . SER Cxp C 43  ? 7.523  35.768  108.193 1   90.097  ? 471 C 1 c
ATOM 3107 H  HA   . SER Cxp C 43  ? 6.964  33.201  108.809 1   100.458 ? 471 C 1 c
ATOM 3108 H  HB3  . SER Cxp C 43  ? 5.285  35.479  108.939 1   114.53  ? 471 C 1 c
ATOM 3109 H  HB2  . SER Cxp C 43  ? 6.07   34.846  110.142 1   114.776 ? 471 C 1 c
ATOM 3110 H  HG   . SER Cxp C 43  ? 4.294  34.161  110.434 0   121.01  ? 471 C 1 c
ATOM 3111 N  N    . GLU Cxp C 44  ? 5.474  34.355  106.198 1   106.915 ? 472 C 1 .
ATOM 3112 C  CA   . GLU Cxp C 44  ? 4.789  33.981  104.965 1   115.684 ? 472 C 1 .
ATOM 3113 C  C    . GLU Cxp C 44  ? 5.709  33.135  104.095 1   94.5    ? 472 C 1 .
ATOM 3114 O  O    . GLU Cxp C 44  ? 5.26   32.187  103.461 1   97.482  ? 472 C 1 .
ATOM 3115 C  CB   . GLU Cxp C 44  ? 4.378  35.217  104.171 1   124.335 ? 472 C 1 .
ATOM 3116 C  CG   . GLU Cxp C 44  ? 3.281  36.01   104.878 1   154.48  ? 472 C 1 .
ATOM 3117 C  CD   . GLU Cxp C 44  ? 3.089  37.426  104.366 1   155.584 ? 472 C 1 .
ATOM 3118 O  OE1  . GLU Cxp C 44  ? 3.783  37.768  103.367 1   128.773 ? 472 C 1 .
ATOM 3119 O  OE2  . GLU Cxp C 44  ? 2.264  38.169  104.975 1   140.43  ? 472 C 1 .
ATOM 3120 H  H    . GLU Cxp C 44  ? 5.684  35.234  106.332 1   105.63  ? 472 C 1 c
ATOM 3121 H  HA   . GLU Cxp C 44  ? 3.984  33.452  105.197 1   111.103 ? 472 C 1 c
ATOM 3122 H  HB3  . GLU Cxp C 44  ? 4.059  34.939  103.287 1   128.273 ? 472 C 1 c
ATOM 3123 H  HB2  . GLU Cxp C 44  ? 5.165  35.786  104.042 1   128.433 ? 472 C 1 c
ATOM 3124 H  HG3  . GLU Cxp C 44  ? 3.485  36.052  105.836 1   146.54  ? 472 C 1 c
ATOM 3125 H  HG2  . GLU Cxp C 44  ? 2.432  35.529  104.781 1   147.127 ? 472 C 1 c
ATOM 3126 N  N    . ILE Cxp C 45  ? 6.998  33.48   104.121 1   78.552  ? 473 C 1 .
ATOM 3127 C  CA   . ILE Cxp C 45  ? 8.038  32.745  103.425 1   82.124  ? 473 C 1 .
ATOM 3128 C  C    . ILE Cxp C 45  ? 8.164  31.334  103.981 1   78.657  ? 473 C 1 .
ATOM 3129 O  O    . ILE Cxp C 45  ? 8.193  30.375  103.229 1   101.752 ? 473 C 1 .
ATOM 3130 C  CB   . ILE Cxp C 45  ? 9.375  33.496  103.536 1   91.137  ? 473 C 1 .
ATOM 3131 C  CG1  . ILE Cxp C 45  ? 9.331  34.81   102.747 1   92.722  ? 473 C 1 .
ATOM 3132 C  CG2  . ILE Cxp C 45  ? 10.557 32.619  103.123 1   90.473  ? 473 C 1 .
ATOM 3133 C  CD1  . ILE Cxp C 45  ? 10.458 35.779  103.061 1   89.049  ? 473 C 1 .
ATOM 3134 H  H    . ILE Cxp C 45  ? 7.24   34.222  104.598 1   83.479  ? 473 C 1 c
ATOM 3135 H  HA   . ILE Cxp C 45  ? 7.794  32.687  102.481 1   82.425  ? 473 C 1 c
ATOM 3136 H  HB   . ILE Cxp C 45  ? 9.501  33.729  104.476 1   89.425  ? 473 C 1 c
ATOM 3137 H  HG12 . ILE Cxp C 45  ? 8.478  35.255  102.921 1   91.479  ? 473 C 1 c
ATOM 3138 H  HG13 . ILE Cxp C 45  ? 9.363  34.598  101.791 1   91.501  ? 473 C 1 c
ATOM 3139 H  HG21 . ILE Cxp C 45  ? 11.31  33.181  102.876 1   90.624  ? 473 C 1 c
ATOM 3140 H  HG22 . ILE Cxp C 45  ? 10.305 32.068  102.363 1   90.536  ? 473 C 1 c
ATOM 3141 H  HG23 . ILE Cxp C 45  ? 10.814 32.047  103.866 1   90.574  ? 473 C 1 c
ATOM 3142 H  HD11 . ILE Cxp C 45  ? 10.648 35.765  104.018 1   90.086  ? 473 C 1 c
ATOM 3143 H  HD12 . ILE Cxp C 45  ? 10.194 36.681  102.797 1   90.184  ? 473 C 1 c
ATOM 3144 H  HD13 . ILE Cxp C 45  ? 11.259 35.52   102.568 1   90.126  ? 473 C 1 c
ATOM 3145 N  N    . MSE Cxp C 46  ? 8.277  31.194  105.294 1   80.837  ? 474 C 1 .
ATOM 3146 C  CA   . MSE Cxp C 46  ? 8.457  29.864  105.854 1   107.186 ? 474 C 1 .
ATOM 3147 C  C    . MSE Cxp C 46  ? 7.149  29.071  105.776 1   98.995  ? 474 C 1 .
ATOM 3148 O  O    . MSE Cxp C 46  ? 7.138  27.841  105.874 1   100.993 ? 474 C 1 .
ATOM 3149 C  CB   . MSE Cxp C 46  ? 8.981  29.955  107.291 1   109.76  ? 474 C 1 .
ATOM 3150 C  CG   . MSE Cxp C 46  ? 10.437 30.375  107.397 1   95.215  ? 474 C 1 .
ATOM 3151 SE SE   . MSE Cxp C 46  ? 10.75  31.059  109.182 1   110.21  ? 474 C 1 .
ATOM 3152 C  CE   . MSE Cxp C 46  ? 10.831 29.363  110.145 1   116.67  ? 474 C 1 .
ATOM 3153 H  H    . MSE Cxp C 46  ? 8.246  31.921  105.847 1   85.783  ? 474 C 1 c
ATOM 3154 H  HA   . MSE Cxp C 46  ? 9.131  29.395  105.31  1   100.258 ? 474 C 1 c
ATOM 3155 H  HB2  . MSE Cxp C 46  ? 8.882  29.104  107.711 1   105.574 ? 474 C 1 c
ATOM 3156 H  HB3  . MSE Cxp C 46  ? 8.451  30.585  107.773 1   105.58  ? 474 C 1 c
ATOM 3157 H  HG2  . MSE Cxp C 46  ? 10.638 31.071  106.736 1   101.078 ? 474 C 1 c
ATOM 3158 H  HG3  . MSE Cxp C 46  ? 11.023 29.607  107.229 1   101.078 ? 474 C 1 c
ATOM 3159 H  HE1  . MSE Cxp C 46  ? 10.875 29.54   111.097 1   114.596 ? 474 C 1 c
ATOM 3160 H  HE2  . MSE Cxp C 46  ? 11.621 28.873  109.869 1   114.966 ? 474 C 1 c
ATOM 3161 H  HE3  . MSE Cxp C 46  ? 10.038 28.843  109.944 1   114.761 ? 474 C 1 c
ATOM 3162 N  N    . GLU Cxp C 47  ? 6.04   29.78   105.592 1   83.971  ? 475 C 1 .
ATOM 3163 C  CA   . GLU Cxp C 47  ? 4.756  29.123  105.477 1   88.777  ? 475 C 1 .
ATOM 3164 C  C    . GLU Cxp C 47  ? 4.649  28.457  104.114 1   85.096  ? 475 C 1 .
ATOM 3165 O  O    . GLU Cxp C 47  ? 4.007  27.413  103.986 1   98.302  ? 475 C 1 .
ATOM 3166 C  CB   . GLU Cxp C 47  ? 3.628  30.133  105.671 1   104.156 ? 475 C 1 .
ATOM 3167 C  CG   . GLU Cxp C 47  ? 2.232  29.517  105.634 1   112.134 ? 475 C 1 .
ATOM 3168 C  CD   . GLU Cxp C 47  ? 1.157  30.569  105.85  1   144.747 ? 475 C 1 .
ATOM 3169 O  OE1  . GLU Cxp C 47  ? 1.473  31.789  105.99  1   142.201 ? 475 C 1 .
ATOM 3170 O  OE2  . GLU Cxp C 47  ? -0.017 30.139  105.866 1   170.662 ? 475 C 1 .
ATOM 3171 H  H    . GLU Cxp C 47  ? 6.076  30.692  105.558 1   88.55   ? 475 C 1 c
ATOM 3172 H  HA   . GLU Cxp C 47  ? 4.692  28.428  106.181 1   89.821  ? 475 C 1 c
ATOM 3173 H  HB3  . GLU Cxp C 47  ? 3.694  30.816  104.973 1   102.301 ? 475 C 1 c
ATOM 3174 H  HB2  . GLU Cxp C 47  ? 3.749  30.576  106.535 1   102.262 ? 475 C 1 c
ATOM 3175 H  HG3  . GLU Cxp C 47  ? 2.156  28.834  106.334 1   116.89  ? 475 C 1 c
ATOM 3176 H  HG2  . GLU Cxp C 47  ? 2.084  29.087  104.765 1   116.665 ? 475 C 1 c
ATOM 3177 N  N    . SER Cxp C 48  ? 5.25   29.103  103.107 1   93.805  ? 476 C 1 .
ATOM 3178 C  CA   . SER Cxp C 48  ? 5.1    28.725  101.707 1   86.123  ? 476 C 1 .
ATOM 3179 C  C    . SER Cxp C 48  ? 5.586  27.297  101.507 1   96.831  ? 476 C 1 .
ATOM 3180 O  O    . SER Cxp C 48  ? 5.082  26.604  100.627 1   89.869  ? 476 C 1 .
ATOM 3181 C  CB   . SER Cxp C 48  ? 5.857  29.663  100.81  1   80.221  ? 476 C 1 .
ATOM 3182 O  OG   . SER Cxp C 48  ? 7.252  29.377  100.834 1   92.717  ? 476 C 1 .
ATOM 3183 H  H    . SER Cxp C 48  ? 5.779  29.823  103.303 1   89.714  ? 476 C 1 c
ATOM 3184 H  HA   . SER Cxp C 48  ? 4.138  28.766  101.473 1   88.286  ? 476 C 1 c
ATOM 3185 H  HB3  . SER Cxp C 48  ? 5.71   30.581  101.106 1   84.463  ? 476 C 1 c
ATOM 3186 H  HB2  . SER Cxp C 48  ? 5.519  29.582  99.9    1   84.628  ? 476 C 1 c
ATOM 3187 H  HG   . SER Cxp C 48  ? 7.88   29.837  100.443 0   111     ? 476 C 1 c
ATOM 3188 N  N    . GLY Cxp C 49  ? 6.598  26.919  102.31  1   100.771 ? 477 C 1 .
ATOM 3189 C  CA   . GLY Cxp C 49  ? 7.191  25.595  102.327 1   96.334  ? 477 C 1 .
ATOM 3190 C  C    . GLY Cxp C 49  ? 8.143  25.37   101.158 1   101.539 ? 477 C 1 .
ATOM 3191 O  O    . GLY Cxp C 49  ? 8.762  24.314  101.093 1   114.932 ? 477 C 1 .
ATOM 3192 H  H    . GLY Cxp C 49  ? 6.954  27.545  102.874 1   98.583  ? 477 C 1 c
ATOM 3193 H  HA3  . GLY Cxp C 49  ? 6.47   24.923  102.297 1   98.525  ? 477 C 1 c
ATOM 3194 H  HA2  . GLY Cxp C 49  ? 7.68   25.475  103.175 1   98.525  ? 477 C 1 c
ATOM 3195 N  N    . TYR Cxp C 50  ? 8.217  26.334  100.222 1   110.515 ? 478 C 1 .
ATOM 3196 C  CA   . TYR Cxp C 50  ? 9.13   26.262  99.091  1   100.369 ? 478 C 1 .
ATOM 3197 C  C    . TYR Cxp C 50  ? 10.559 26.45   99.607  1   97.007  ? 478 C 1 .
ATOM 3198 O  O    . TYR Cxp C 50  ? 10.814 27.264  100.493 1   87.78   ? 478 C 1 .
ATOM 3199 C  CB   . TYR Cxp C 50  ? 8.844  27.306  98.002  1   100.323 ? 478 C 1 .
ATOM 3200 C  CG   . TYR Cxp C 50  ? 7.472  27.246  97.345  1   112.936 ? 478 C 1 .
ATOM 3201 C  CD1  . TYR Cxp C 50  ? 7.22   26.428  96.248  1   144.911 ? 478 C 1 .
ATOM 3202 C  CD2  . TYR Cxp C 50  ? 6.43   28.03   97.812  1   101.114 ? 478 C 1 .
ATOM 3203 C  CE1  . TYR Cxp C 50  ? 5.968  26.391  95.646  1   137.723 ? 478 C 1 .
ATOM 3204 C  CE2  . TYR Cxp C 50  ? 5.172  27.982  97.245  1   105.03  ? 478 C 1 .
ATOM 3205 C  CZ   . TYR Cxp C 50  ? 4.942  27.168  96.159  1   121.35  ? 478 C 1 .
ATOM 3206 O  OH   . TYR Cxp C 50  ? 3.672  27.223  95.68   1   140.562 ? 478 C 1 .
ATOM 3207 H  H    . TYR Cxp C 50  ? 7.681  27.07   100.296 1   105.758 ? 478 C 1 c
ATOM 3208 H  HA   . TYR Cxp C 50  ? 9.053  25.358  98.686  1   101.731 ? 478 C 1 c
ATOM 3209 H  HB3  . TYR Cxp C 50  ? 9.528  27.211  97.302  1   103.057 ? 478 C 1 c
ATOM 3210 H  HB2  . TYR Cxp C 50  ? 8.96   28.198  98.397  1   103.084 ? 478 C 1 c
ATOM 3211 H  HD1  . TYR Cxp C 50  ? 7.915  25.893  95.899  1   134.445 ? 478 C 1 c
ATOM 3212 H  HD2  . TYR Cxp C 50  ? 6.576  28.585  98.557  1   104.671 ? 478 C 1 c
ATOM 3213 H  HE1  . TYR Cxp C 50  ? 5.81   25.823  94.911  1   134.746 ? 478 C 1 c
ATOM 3214 H  HE2  . TYR Cxp C 50  ? 4.478  28.522  97.585  1   108.185 ? 478 C 1 c
ATOM 3215 H  HH   . TYR Cxp C 50  ? 3.638  26.236  94.975  0   125.32  ? 478 C 1 c
ATOM 3216 N  N    . THR Cxp C 51  ? 11.474 25.671  99.021  1   106.885 ? 479 C 1 .
ATOM 3217 C  CA   . THR Cxp C 51  ? 12.876 25.61   99.397  1   96.549  ? 479 C 1 .
ATOM 3218 C  C    . THR Cxp C 51  ? 13.57  26.874  98.902  1   88.972  ? 479 C 1 .
ATOM 3219 O  O    . THR Cxp C 51  ? 14.456 27.378  99.565  1   85.884  ? 479 C 1 .
ATOM 3220 C  CB   . THR Cxp C 51  ? 13.488 24.355  98.754  1   112.293 ? 479 C 1 .
ATOM 3221 O  OG1  . THR Cxp C 51  ? 12.622 23.229  98.922  1   103.028 ? 479 C 1 .
ATOM 3222 C  CG2  . THR Cxp C 51  ? 14.871 24.02   99.288  1   123.878 ? 479 C 1 .
ATOM 3223 H  H    . THR Cxp C 51  ? 11.199 25.141  98.329  1   102.112 ? 479 C 1 c
ATOM 3224 H  HA   . THR Cxp C 51  ? 12.95  25.549  100.375 1   99.714  ? 479 C 1 c
ATOM 3225 H  HB   . THR Cxp C 51  ? 13.585 24.528  97.787  1   109.299 ? 479 C 1 c
ATOM 3226 H  HG1  . THR Cxp C 51  ? 12.634 23.201  100.188 0   102.7   ? 479 C 1 c
ATOM 3227 H  HG21 . THR Cxp C 51  ? 15.11  23.115  99.028  1   120.337 ? 479 C 1 c
ATOM 3228 H  HG22 . THR Cxp C 51  ? 14.87  24.088  100.258 1   120.337 ? 479 C 1 c
ATOM 3229 H  HG23 . THR Cxp C 51  ? 15.521 24.644  98.921  1   120.337 ? 479 C 1 c
ATOM 3230 N  N    . ARG Cxp C 52  ? 13.202 27.314  97.692  1   102.635 ? 480 C 1 .
ATOM 3231 C  CA   . ARG Cxp C 52  ? 13.841 28.409  96.982  1   104.21  ? 480 C 1 .
ATOM 3232 C  C    . ARG Cxp C 52  ? 12.746 29.309  96.423  1   90.717  ? 480 C 1 .
ATOM 3233 O  O    . ARG Cxp C 52  ? 11.838 28.796  95.779  1   76.007  ? 480 C 1 .
ATOM 3234 C  CB   . ARG Cxp C 52  ? 14.673 27.885  95.804  1   108.607 ? 480 C 1 .
ATOM 3235 C  CG   . ARG Cxp C 52  ? 15.786 26.936  96.216  1   116.729 ? 480 C 1 .
ATOM 3236 C  CD   . ARG Cxp C 52  ? 16.102 25.873  95.184  1   133.743 ? 480 C 1 .
ATOM 3237 N  NE   . ARG Cxp C 52  ? 14.943 25.036  94.882  1   127.357 ? 480 C 1 .
ATOM 3238 C  CZ   . ARG Cxp C 52  ? 14.938 24.185  93.875  1   140.964 ? 480 C 1 .
ATOM 3239 N  NH1  . ARG Cxp C 52  ? 16.054 23.947  93.195  1   168.654 ? 480 C 1 .
ATOM 3240 N  NH2  . ARG Cxp C 52  ? 13.803 23.595  93.56   1   127.418 ? 480 C 1 .
ATOM 3241 H  H    . ARG Cxp C 52  ? 12.505 26.892  97.278  1   99.522  ? 480 C 1 c
ATOM 3242 H  HA   . ARG Cxp C 52  ? 14.408 28.919  97.611  1   101.792 ? 480 C 1 c
ATOM 3243 H  HB3  . ARG Cxp C 52  ? 15.069 28.65   95.333  1   109.396 ? 480 C 1 c
ATOM 3244 H  HB2  . ARG Cxp C 52  ? 14.077 27.425  95.175  1   109.424 ? 480 C 1 c
ATOM 3245 H  HG3  . ARG Cxp C 52  ? 15.54  26.494  97.057  1   118.16  ? 480 C 1 c
ATOM 3246 H  HG2  . ARG Cxp C 52  ? 16.595 27.46   96.386  1   118.56  ? 480 C 1 c
ATOM 3247 H  HD3  . ARG Cxp C 52  ? 16.83  25.308  95.516  1   128.245 ? 480 C 1 c
ATOM 3248 H  HD2  . ARG Cxp C 52  ? 16.409 26.308  94.362  1   128.441 ? 480 C 1 c
ATOM 3249 H  HE   . ARG Cxp C 52  ? 14.234 25.096  95.386  1   131.469 ? 480 C 1 c
ATOM 3250 H  HH11 . ARG Cxp C 52  ? 16.769 23.652  93.622  1   158.559 ? 480 C 1 c
ATOM 3251 H  HH12 . ARG Cxp C 52  ? 16.077 24.087  92.327  1   157.978 ? 480 C 1 c
ATOM 3252 H  HH21 . ARG Cxp C 52  ? 13.059 24.07   93.516  1   131.443 ? 480 C 1 c
ATOM 3253 H  HH22 . ARG Cxp C 52  ? 13.791 22.727  93.395  1   131.443 ? 480 C 1 c
ATOM 3254 N  N    . ILE Cxp C 53  ? 12.879 30.635  96.62   1   93.732  ? 481 C 1 .
ATOM 3255 C  CA   . ILE Cxp C 53  ? 11.875 31.603  96.207  1   89.451  ? 481 C 1 .
ATOM 3256 C  C    . ILE Cxp C 53  ? 12.465 32.633  95.257  1   82.735  ? 481 C 1 .
ATOM 3257 O  O    . ILE Cxp C 53  ? 13.415 33.311  95.619  1   87.924  ? 481 C 1 .
ATOM 3258 C  CB   . ILE Cxp C 53  ? 11.279 32.322  97.413  1   96.09   ? 481 C 1 .
ATOM 3259 C  CG1  . ILE Cxp C 53  ? 10.603 31.345  98.335  1   98.659  ? 481 C 1 .
ATOM 3260 C  CG2  . ILE Cxp C 53  ? 10.344 33.437  96.938  1   114.066 ? 481 C 1 .
ATOM 3261 C  CD1  . ILE Cxp C 53  ? 11.44  30.953  99.528  1   110.791 ? 481 C 1 .
ATOM 3262 H  H    . ILE Cxp C 53  ? 13.635 30.944  97.03   1   92.226  ? 481 C 1 c
ATOM 3263 H  HA   . ILE Cxp C 53  ? 11.157 31.129  95.752  1   90.224  ? 481 C 1 c
ATOM 3264 H  HB   . ILE Cxp C 53  ? 12.015 32.738  97.905  1   98.491  ? 481 C 1 c
ATOM 3265 H  HG12 . ILE Cxp C 53  ? 10.378 30.537  97.831  1   100.605 ? 481 C 1 c
ATOM 3266 H  HG13 . ILE Cxp C 53  ? 9.766  31.739  98.656  1   100.905 ? 481 C 1 c
ATOM 3267 H  HG21 . ILE Cxp C 53  ? 9.754  33.7    97.663  1   108.261 ? 481 C 1 c
ATOM 3268 H  HG22 . ILE Cxp C 53  ? 9.812  33.12   96.189  1   108.099 ? 481 C 1 c
ATOM 3269 H  HG23 . ILE Cxp C 53  ? 10.868 34.206  96.658  1   108.072 ? 481 C 1 c
ATOM 3270 H  HD11 . ILE Cxp C 53  ? 12.263 30.525  99.226  1   106.954 ? 481 C 1 c
ATOM 3271 H  HD12 . ILE Cxp C 53  ? 10.938 30.331  100.088 1   107.009 ? 481 C 1 c
ATOM 3272 H  HD13 . ILE Cxp C 53  ? 11.662 31.75   100.047 1   106.964 ? 481 C 1 c
ATOM 3273 N  N    . PRO Cxp C 54  ? 11.904 32.791  94.04   1   86.049  ? 482 C 1 .
ATOM 3274 C  CA   . PRO Cxp C 54  ? 12.358 33.812  93.109  1   87.646  ? 482 C 1 .
ATOM 3275 C  C    . PRO Cxp C 54  ? 12.124 35.235  93.612  1   88.304  ? 482 C 1 .
ATOM 3276 O  O    . PRO Cxp C 54  ? 11.084 35.509  94.204  1   89.607  ? 482 C 1 .
ATOM 3277 C  CB   . PRO Cxp C 54  ? 11.55  33.51   91.852  1   95.317  ? 482 C 1 .
ATOM 3278 C  CG   . PRO Cxp C 54  ? 11.081 32.077  92.019  1   96.223  ? 482 C 1 .
ATOM 3279 C  CD   . PRO Cxp C 54  ? 10.847 31.94   93.476  1   100.621 ? 482 C 1 .
ATOM 3280 H  HA   . PRO Cxp C 54  ? 13.311 33.681  92.925  1   88.936  ? 482 C 1 c
ATOM 3281 H  HB3  . PRO Cxp C 54  ? 12.105 33.603  91.054  1   93.727  ? 482 C 1 c
ATOM 3282 H  HB2  . PRO Cxp C 54  ? 10.788 34.117  91.775  1   93.702  ? 482 C 1 c
ATOM 3283 H  HG3  . PRO Cxp C 54  ? 11.765 31.446  91.717  1   97.019  ? 482 C 1 c
ATOM 3284 H  HG2  . PRO Cxp C 54  ? 10.256 31.917  91.518  1   97.019  ? 482 C 1 c
ATOM 3285 H  HD3  . PRO Cxp C 54  ? 9.967  32.266  93.729  1   96.139  ? 482 C 1 c
ATOM 3286 H  HD2  . PRO Cxp C 54  ? 10.948 31.013  93.763  1   95.986  ? 482 C 1 c
ATOM 3287 N  N    . VAL Cxp C 55  ? 13.124 36.106  93.404  1   90.486  ? 483 C 1 .
ATOM 3288 C  CA   . VAL Cxp C 55  ? 13.077 37.503  93.807  1   89.813  ? 483 C 1 .
ATOM 3289 C  C    . VAL Cxp C 55  ? 13.009 38.375  92.558  1   85.983  ? 483 C 1 .
ATOM 3290 O  O    . VAL Cxp C 55  ? 13.826 38.242  91.657  1   96.765  ? 483 C 1 .
ATOM 3291 C  CB   . VAL Cxp C 55  ? 14.316 37.87   94.635  1   92.841  ? 483 C 1 .
ATOM 3292 C  CG1  . VAL Cxp C 55  ? 14.27  39.338  95.05   1   95.15   ? 483 C 1 .
ATOM 3293 C  CG2  . VAL Cxp C 55  ? 14.49  36.913  95.817  1   99.755  ? 483 C 1 .
ATOM 3294 H  H    . VAL Cxp C 55  ? 13.879 35.807  92.985  1   89.787  ? 483 C 1 c
ATOM 3295 H  HA   . VAL Cxp C 55  ? 12.28  37.651  94.346  1   89.742  ? 483 C 1 c
ATOM 3296 H  HB   . VAL Cxp C 55  ? 15.099 37.755  94.047  1   93.914  ? 483 C 1 c
ATOM 3297 H  HG11 . VAL Cxp C 55  ? 13.348 39.606  95.198  1   94.367  ? 483 C 1 c
ATOM 3298 H  HG12 . VAL Cxp C 55  ? 14.657 39.887  94.347  1   94.412  ? 483 C 1 c
ATOM 3299 H  HG13 . VAL Cxp C 55  ? 14.777 39.461  95.87   1   94.485  ? 483 C 1 c
ATOM 3300 H  HG21 . VAL Cxp C 55  ? 15.141 37.278  96.44   1   97.628  ? 483 C 1 c
ATOM 3301 H  HG22 . VAL Cxp C 55  ? 14.802 36.05   95.494  1   97.615  ? 483 C 1 c
ATOM 3302 H  HG23 . VAL Cxp C 55  ? 13.638 36.798  96.27   1   97.6    ? 483 C 1 c
ATOM 3303 N  N    . PHE Cxp C 56  ? 12.034 39.274  92.513  1   90.28   ? 484 C 1 .
ATOM 3304 C  CA   . PHE Cxp C 56  ? 11.823 40.088  91.334  1   95.616  ? 484 C 1 .
ATOM 3305 C  C    . PHE Cxp C 56  ? 11.816 41.552  91.756  1   118.777 ? 484 C 1 .
ATOM 3306 O  O    . PHE Cxp C 56  ? 11.544 41.88   92.928  1   102.843 ? 484 C 1 .
ATOM 3307 C  CB   . PHE Cxp C 56  ? 10.496 39.781  90.638  1   100.104 ? 484 C 1 .
ATOM 3308 C  CG   . PHE Cxp C 56  ? 9.283  40.128  91.504  1   112.81  ? 484 C 1 .
ATOM 3309 C  CD1  . PHE Cxp C 56  ? 8.741  39.21   92.397  1   106.854 ? 484 C 1 .
ATOM 3310 C  CD2  . PHE Cxp C 56  ? 8.68   41.379  91.42   1   123.916 ? 484 C 1 .
ATOM 3311 C  CE1  . PHE Cxp C 56  ? 7.65   39.541  93.177  1   100.4   ? 484 C 1 .
ATOM 3312 C  CE2  . PHE Cxp C 56  ? 7.599  41.707  92.216  1   112.169 ? 484 C 1 .
ATOM 3313 C  CZ   . PHE Cxp C 56  ? 7.08   40.784  93.081  1   104.866 ? 484 C 1 .
ATOM 3314 H  H    . PHE Cxp C 56  ? 11.486 39.39   93.236  1   90.723  ? 484 C 1 c
ATOM 3315 H  HA   . PHE Cxp C 56  ? 12.567 39.938  90.697  1   99.321  ? 484 C 1 c
ATOM 3316 H  HB3  . PHE Cxp C 56  ? 10.472 38.827  90.414  1   102.25  ? 484 C 1 c
ATOM 3317 H  HB2  . PHE Cxp C 56  ? 10.451 40.295  89.803  1   101.804 ? 484 C 1 c
ATOM 3318 H  HD1  . PHE Cxp C 56  ? 9.129  38.355  92.477  1   106.84  ? 484 C 1 c
ATOM 3319 H  HD2  . PHE Cxp C 56  ? 9.033  42.023  90.827  1   118.039 ? 484 C 1 c
ATOM 3320 H  HE1  . PHE Cxp C 56  ? 7.296  38.908  93.78   1   103.136 ? 484 C 1 c
ATOM 3321 H  HE2  . PHE Cxp C 56  ? 7.201  42.56   92.141  1   112.826 ? 484 C 1 c
ATOM 3322 H  HZ   . PHE Cxp C 56  ? 6.334  41.005  93.616  1   105.616 ? 484 C 1 c
ATOM 3323 N  N    . GLU Cxp C 57  ? 12.123 42.403  90.761  1   131.514 ? 485 C 1 .
ATOM 3324 C  CA   . GLU Cxp C 57  ? 12.16  43.844  90.939  1   126.945 ? 485 C 1 .
ATOM 3325 C  C    . GLU Cxp C 57  ? 11.206 44.506  89.959  1   111.619 ? 485 C 1 .
ATOM 3326 O  O    . GLU Cxp C 57  ? 11.443 44.493  88.762  1   109.479 ? 485 C 1 .
ATOM 3327 C  CB   . GLU Cxp C 57  ? 13.589 44.365  90.795  1   123.71  ? 485 C 1 .
ATOM 3328 C  CG   . GLU Cxp C 57  ? 14.387 44.199  92.088  1   145.145 ? 485 C 1 .
ATOM 3329 C  CD   . GLU Cxp C 57  ? 15.83  44.636  91.963  1   146.742 ? 485 C 1 .
ATOM 3330 O  OE1  . GLU Cxp C 57  ? 16.169 45.143  90.853  1   120.671 ? 485 C 1 .
ATOM 3331 O  OE2  . GLU Cxp C 57  ? 16.586 44.429  92.948  1   149.933 ? 485 C 1 .
ATOM 3332 H  H    . GLU Cxp C 57  ? 12.315 42.064  89.934  1   126.813 ? 485 C 1 c
ATOM 3333 H  HA   . GLU Cxp C 57  ? 11.855 44.05   91.859  1   123.912 ? 485 C 1 c
ATOM 3334 H  HB3  . GLU Cxp C 57  ? 13.561 45.312  90.542  1   128.741 ? 485 C 1 c
ATOM 3335 H  HB2  . GLU Cxp C 57  ? 14.035 43.873  90.077  1   128.356 ? 485 C 1 c
ATOM 3336 H  HG3  . GLU Cxp C 57  ? 14.365 43.258  92.361  1   140.175 ? 485 C 1 c
ATOM 3337 H  HG2  . GLU Cxp C 57  ? 13.961 44.726  92.798  1   140.308 ? 485 C 1 c
ATOM 3338 N  N    . GLY Cxp C 58  ? 10.14  45.102  90.495  1   105.48  ? 486 C 1 .
ATOM 3339 C  CA   . GLY Cxp C 58  ? 9.136  45.742  89.671  1   101.487 ? 486 C 1 .
ATOM 3340 C  C    . GLY Cxp C 58  ? 8.103  44.717  89.225  1   105.773 ? 486 C 1 .
ATOM 3341 O  O    . GLY Cxp C 58  ? 7.167  44.417  89.971  1   119.029 ? 486 C 1 .
ATOM 3342 H  H    . GLY Cxp C 58  ? 10.034 45.109  91.403  1   106.265 ? 486 C 1 c
ATOM 3343 H  HA3  . GLY Cxp C 58  ? 9.565  46.154  88.885  1   103.526 ? 486 C 1 c
ATOM 3344 H  HA2  . GLY Cxp C 58  ? 8.695  46.455  90.19   1   103.403 ? 486 C 1 c
ATOM 3345 N  N    . GLU Cxp C 59  ? 8.281  44.201  88.004  1   107.591 ? 487 C 1 .
ATOM 3346 C  CA   . GLU Cxp C 59  ? 7.378  43.189  87.5    1   128.376 ? 487 C 1 .
ATOM 3347 C  C    . GLU Cxp C 59  ? 7.865  41.815  87.918  1   119.436 ? 487 C 1 .
ATOM 3348 O  O    . GLU Cxp C 59  ? 9.051  41.572  88.1    1   99.559  ? 487 C 1 .
ATOM 3349 C  CB   . GLU Cxp C 59  ? 7.196  43.22   85.985  1   143.48  ? 487 C 1 .
ATOM 3350 C  CG   . GLU Cxp C 59  ? 6.29   44.361  85.55   1   163.019 ? 487 C 1 .
ATOM 3351 C  CD   . GLU Cxp C 59  ? 6.987  45.7    85.565  1   183.249 ? 487 C 1 .
ATOM 3352 O  OE1  . GLU Cxp C 59  ? 8.236  45.734  85.591  1   207.589 ? 487 C 1 .
ATOM 3353 O  OE2  . GLU Cxp C 59  ? 6.263  46.71   85.555  1   199.334 ? 487 C 1 .
ATOM 3354 H  H    . GLU Cxp C 59  ? 8.976  44.483  87.48   1   111.379 ? 487 C 1 c
ATOM 3355 H  HA   . GLU Cxp C 59  ? 6.489  43.34   87.911  1   125.106 ? 487 C 1 c
ATOM 3356 H  HB3  . GLU Cxp C 59  ? 6.8    42.372  85.695  1   143.848 ? 487 C 1 c
ATOM 3357 H  HB2  . GLU Cxp C 59  ? 8.075  43.302  85.559  1   144.456 ? 487 C 1 c
ATOM 3358 H  HG3  . GLU Cxp C 59  ? 5.512  44.404  86.146  1   162.391 ? 487 C 1 c
ATOM 3359 H  HG2  . GLU Cxp C 59  ? 5.965  44.186  84.641  1   162.633 ? 487 C 1 c
ATOM 3360 N  N    . ARG Cxp C 60  ? 6.897  40.914  88.021  1   120.647 ? 488 C 1 .
ATOM 3361 C  CA   . ARG Cxp C 60  ? 7.186  39.528  88.3    1   114.871 ? 488 C 1 .
ATOM 3362 C  C    . ARG Cxp C 60  ? 8.019  38.919  87.172  1   107.536 ? 488 C 1 .
ATOM 3363 O  O    . ARG Cxp C 60  ? 8.814  38.031  87.432  1   103.473 ? 488 C 1 .
ATOM 3364 C  CB   . ARG Cxp C 60  ? 5.843  38.832  88.483  1   111.086 ? 488 C 1 .
ATOM 3365 C  CG   . ARG Cxp C 60  ? 5.005  39.441  89.598  1   108.84  ? 488 C 1 .
ATOM 3366 C  CD   . ARG Cxp C 60  ? 3.692  38.705  89.595  1   121.827 ? 488 C 1 .
ATOM 3367 N  NE   . ARG Cxp C 60  ? 3.921  37.257  89.656  1   124.368 ? 488 C 1 .
ATOM 3368 C  CZ   . ARG Cxp C 60  ? 4.094  36.58   90.784  1   115.553 ? 488 C 1 .
ATOM 3369 N  NH1  . ARG Cxp C 60  ? 4.091  37.227  91.937  1   116.364 ? 488 C 1 .
ATOM 3370 N  NH2  . ARG Cxp C 60  ? 4.234  35.267  90.75   1   108.214 ? 488 C 1 .
ATOM 3371 H  H    . ARG Cxp C 60  ? 6.031  41.169  87.884  1   118.951 ? 488 C 1 c
ATOM 3372 H  HA   . ARG Cxp C 60  ? 7.701  39.477  89.145  1   113.847 ? 488 C 1 c
ATOM 3373 H  HB3  . ARG Cxp C 60  ? 6.004  37.886  88.683  1   111.599 ? 488 C 1 c
ATOM 3374 H  HB2  . ARG Cxp C 60  ? 5.34   38.882  87.642  1   111.506 ? 488 C 1 c
ATOM 3375 H  HG3  . ARG Cxp C 60  ? 4.849  40.395  89.432  1   112.317 ? 488 C 1 c
ATOM 3376 H  HG2  . ARG Cxp C 60  ? 5.453  39.32   90.464  1   112.251 ? 488 C 1 c
ATOM 3377 H  HD3  . ARG Cxp C 60  ? 3.198  38.921  88.778  1   119.315 ? 488 C 1 c
ATOM 3378 H  HD2  . ARG Cxp C 60  ? 3.152  38.985  90.362  1   119.289 ? 488 C 1 c
ATOM 3379 H  HE   . ARG Cxp C 60  ? 3.938  36.812  88.907  1   121.304 ? 488 C 1 c
ATOM 3380 H  HH11 . ARG Cxp C 60  ? 4.77   37.753  92.147  1   116.083 ? 488 C 1 c
ATOM 3381 H  HH12 . ARG Cxp C 60  ? 3.411  37.131  92.493  1   116.107 ? 488 C 1 c
ATOM 3382 H  HH21 . ARG Cxp C 60  ? 4.07   34.823  90.004  1   110.594 ? 488 C 1 c
ATOM 3383 H  HH22 . ARG Cxp C 60  ? 4.492  34.836  91.478  1   110.398 ? 488 C 1 c
ATOM 3384 N  N    . SER Cxp C 61  ? 7.851  39.384  85.927  1   99.666  ? 489 C 1 .
ATOM 3385 C  CA   . SER Cxp C 61  ? 8.681  38.893  84.841  1   104.123 ? 489 C 1 .
ATOM 3386 C  C    . SER Cxp C 61  ? 10.1   39.463  84.934  1   97.515  ? 489 C 1 .
ATOM 3387 O  O    . SER Cxp C 61  ? 10.994 38.986  84.249  1   95.413  ? 489 C 1 .
ATOM 3388 C  CB   . SER Cxp C 61  ? 8.05   39.156  83.504  1   116.726 ? 489 C 1 .
ATOM 3389 O  OG   . SER Cxp C 61  ? 8.314  40.48   83.082  1   158.635 ? 489 C 1 .
ATOM 3390 H  H    . SER Cxp C 61  ? 7.206  40.007  85.75   1   102.984 ? 489 C 1 c
ATOM 3391 H  HA   . SER Cxp C 61  ? 8.751  37.91   84.944  1   104.244 ? 489 C 1 c
ATOM 3392 H  HB3  . SER Cxp C 61  ? 7.085  39.021  83.569  1   122.226 ? 489 C 1 c
ATOM 3393 H  HB2  . SER Cxp C 61  ? 8.405  38.529  82.848  1   122.182 ? 489 C 1 c
ATOM 3394 H  HG   . SER Cxp C 61  ? 8.187  40.835  82.193  0   109.96  ? 489 C 1 c
ATOM 3395 N  N    . ASN Cxp C 62  ? 10.33  40.449  85.805  1   93.305  ? 490 C 1 .
ATOM 3396 C  CA   . ASN Cxp C 62  ? 11.684 40.897  86.092  1   101.33  ? 490 C 1 .
ATOM 3397 C  C    . ASN Cxp C 62  ? 12.266 40.182  87.32   1   106.303 ? 490 C 1 .
ATOM 3398 O  O    . ASN Cxp C 62  ? 12.435 40.772  88.389  1   91.898  ? 490 C 1 .
ATOM 3399 C  CB   . ASN Cxp C 62  ? 11.714 42.413  86.224  1   111.02  ? 490 C 1 .
ATOM 3400 C  CG   . ASN Cxp C 62  ? 13.117 42.928  86.43   1   101.757 ? 490 C 1 .
ATOM 3401 O  OD1  . ASN Cxp C 62  ? 14.022 42.566  85.669  1   91.319  ? 490 C 1 .
ATOM 3402 N  ND2  . ASN Cxp C 62  ? 13.317 43.729  87.468  1   100.364 ? 490 C 1 .
ATOM 3403 H  H    . ASN Cxp C 62  ? 9.631  40.872  86.211  1   96.418  ? 490 C 1 c
ATOM 3404 H  HA   . ASN Cxp C 62  ? 12.247 40.667  85.32   1   102.261 ? 490 C 1 c
ATOM 3405 H  HB3  . ASN Cxp C 62  ? 11.157 42.681  86.981  1   106.411 ? 490 C 1 c
ATOM 3406 H  HB2  . ASN Cxp C 62  ? 11.34  42.814  85.415  1   106.552 ? 490 C 1 c
ATOM 3407 H  HD21 . ASN Cxp C 62  ? 14.055 43.643  87.951  1   101.121 ? 490 C 1 c
ATOM 3408 H  HD22 . ASN Cxp C 62  ? 12.722 44.354  87.666  1   100.966 ? 490 C 1 c
ATOM 3409 N  N    . ILE Cxp C 63  ? 12.645 38.911  87.137  1   115.018 ? 491 C 1 .
ATOM 3410 C  CA   . ILE Cxp C 63  ? 13.248 38.118  88.204  1   114.896 ? 491 C 1 .
ATOM 3411 C  C    . ILE Cxp C 63  ? 14.744 38.411  88.306  1   105.962 ? 491 C 1 .
ATOM 3412 O  O    . ILE Cxp C 63  ? 15.478 38.193  87.351  1   78.609  ? 491 C 1 .
ATOM 3413 C  CB   . ILE Cxp C 63  ? 13.061 36.614  87.955  1   116.045 ? 491 C 1 .
ATOM 3414 C  CG1  . ILE Cxp C 63  ? 11.619 36.26   87.581  1   124.778 ? 491 C 1 .
ATOM 3415 C  CG2  . ILE Cxp C 63  ? 13.557 35.828  89.173  1   112.123 ? 491 C 1 .
ATOM 3416 C  CD1  . ILE Cxp C 63  ? 11.439 34.871  86.991  1   130.007 ? 491 C 1 .
ATOM 3417 H  H    . ILE Cxp C 63  ? 12.545 38.532  86.311  1   112.863 ? 491 C 1 c
ATOM 3418 H  HA   . ILE Cxp C 63  ? 12.819 38.35   89.049  1   113.097 ? 491 C 1 c
ATOM 3419 H  HB   . ILE Cxp C 63  ? 13.626 36.369  87.196  1   116.356 ? 491 C 1 c
ATOM 3420 H  HG12 . ILE Cxp C 63  ? 11.289 36.915  86.934  1   123.787 ? 491 C 1 c
ATOM 3421 H  HG13 . ILE Cxp C 63  ? 11.068 36.331  88.382  1   124.024 ? 491 C 1 c
ATOM 3422 H  HG21 . ILE Cxp C 63  ? 13.179 34.933  89.161  1   113.476 ? 491 C 1 c
ATOM 3423 H  HG22 . ILE Cxp C 63  ? 13.283 36.28   89.988  1   113.217 ? 491 C 1 c
ATOM 3424 H  HG23 . ILE Cxp C 63  ? 14.526 35.766  89.149  1   113.258 ? 491 C 1 c
ATOM 3425 H  HD11 . ILE Cxp C 63  ? 11.966 34.798  86.174  1   128.095 ? 491 C 1 c
ATOM 3426 H  HD12 . ILE Cxp C 63  ? 10.496 34.726  86.782  1   128.323 ? 491 C 1 c
ATOM 3427 H  HD13 . ILE Cxp C 63  ? 11.735 34.195  87.63   1   128.173 ? 491 C 1 c
ATOM 3428 N  N    . VAL Cxp C 64  ? 15.203 38.833  89.49   1   109.595 ? 492 C 1 .
ATOM 3429 C  CA   . VAL Cxp C 64  ? 16.559 39.34   89.661  1   99.874  ? 492 C 1 .
ATOM 3430 C  C    . VAL Cxp C 64  ? 17.441 38.484  90.577  1   105.672 ? 492 C 1 .
ATOM 3431 O  O    . VAL Cxp C 64  ? 18.658 38.543  90.462  1   129.824 ? 492 C 1 .
ATOM 3432 C  CB   . VAL Cxp C 64  ? 16.461 40.777  90.197  1   108.065 ? 492 C 1 .
ATOM 3433 C  CG1  . VAL Cxp C 64  ? 15.689 41.652  89.227  1   113.11  ? 492 C 1 .
ATOM 3434 C  CG2  . VAL Cxp C 64  ? 15.838 40.874  91.588  1   123.851 ? 492 C 1 .
ATOM 3435 H  H    . VAL Cxp C 64  ? 14.65  38.806  90.217  1   106.596 ? 492 C 1 c
ATOM 3436 H  HA   . VAL Cxp C 64  ? 16.984 39.375  88.782  1   104.126 ? 492 C 1 c
ATOM 3437 H  HB   . VAL Cxp C 64  ? 17.38  41.129  90.253  1   110.164 ? 492 C 1 c
ATOM 3438 H  HG11 . VAL Cxp C 64  ? 14.735 41.52   89.357  1   111.573 ? 492 C 1 c
ATOM 3439 H  HG12 . VAL Cxp C 64  ? 15.926 41.416  88.314  1   111.489 ? 492 C 1 c
ATOM 3440 H  HG13 . VAL Cxp C 64  ? 15.91  42.585  89.385  1   111.667 ? 492 C 1 c
ATOM 3441 H  HG21 . VAL Cxp C 64  ? 16.02  41.751  91.962  1   119.139 ? 492 C 1 c
ATOM 3442 H  HG22 . VAL Cxp C 64  ? 16.22  40.194  92.167  1   118.828 ? 492 C 1 c
ATOM 3443 H  HG23 . VAL Cxp C 64  ? 14.878 40.742  91.525  1   118.735 ? 492 C 1 c
ATOM 3444 N  N    . ASP Cxp C 65  ? 16.856 37.716  91.5    1   106.024 ? 493 C 1 .
ATOM 3445 C  CA   . ASP Cxp C 65  ? 17.634 36.916  92.427  1   88.944  ? 493 C 1 .
ATOM 3446 C  C    . ASP Cxp C 65  ? 16.83  35.707  92.909  1   97.964  ? 493 C 1 .
ATOM 3447 O  O    . ASP Cxp C 65  ? 15.678 35.515  92.542  1   108.004 ? 493 C 1 .
ATOM 3448 C  CB   . ASP Cxp C 65  ? 18.121 37.768  93.589  1   98.422  ? 493 C 1 .
ATOM 3449 C  CG   . ASP Cxp C 65  ? 19.467 38.447  93.385  1   115.549 ? 493 C 1 .
ATOM 3450 O  OD1  . ASP Cxp C 65  ? 20.397 37.772  92.917  1   153.772 ? 493 C 1 .
ATOM 3451 O  OD2  . ASP Cxp C 65  ? 19.588 39.637  93.71   1   123.114 ? 493 C 1 .
ATOM 3452 H  H    . ASP Cxp C 65  ? 15.944 37.694  91.559  1   101.863 ? 493 C 1 c
ATOM 3453 H  HA   . ASP Cxp C 65  ? 18.426 36.579  91.949  1   96.034  ? 493 C 1 c
ATOM 3454 H  HB3  . ASP Cxp C 65  ? 18.184 37.22   94.399  1   99.904  ? 493 C 1 c
ATOM 3455 H  HB2  . ASP Cxp C 65  ? 17.456 38.467  93.758  1   99.971  ? 493 C 1 c
ATOM 3456 N  N    . LEU Cxp C 66  ? 17.49  34.86   93.713  1   108.545 ? 494 C 1 .
ATOM 3457 C  CA   . LEU Cxp C 66  ? 16.908 33.675  94.324  1   86.984  ? 494 C 1 .
ATOM 3458 C  C    . LEU Cxp C 66  ? 17.073 33.788  95.821  1   93.385  ? 494 C 1 .
ATOM 3459 O  O    . LEU Cxp C 66  ? 18.11  34.232  96.291  1   126.967 ? 494 C 1 .
ATOM 3460 C  CB   . LEU Cxp C 66  ? 17.59  32.392  93.878  1   81.217  ? 494 C 1 .
ATOM 3461 C  CG   . LEU Cxp C 66  ? 16.832 31.576  92.834  1   104.726 ? 494 C 1 .
ATOM 3462 C  CD1  . LEU Cxp C 66  ? 17.647 30.347  92.395  1   114.81  ? 494 C 1 .
ATOM 3463 C  CD2  . LEU Cxp C 66  ? 15.463 31.195  93.403  1   111.314 ? 494 C 1 .
ATOM 3464 H  H    . LEU Cxp C 66  ? 18.372 35.032  93.881  1   100.567 ? 494 C 1 c
ATOM 3465 H  HA   . LEU Cxp C 66  ? 15.944 33.639  94.102  1   91.319  ? 494 C 1 c
ATOM 3466 H  HB3  . LEU Cxp C 66  ? 17.736 31.825  94.67   1   87.614  ? 494 C 1 c
ATOM 3467 H  HB2  . LEU Cxp C 66  ? 18.473 32.625  93.51   1   87.574  ? 494 C 1 c
ATOM 3468 H  HG   . LEU Cxp C 66  ? 16.687 32.149  92.038  1   102.718 ? 494 C 1 c
ATOM 3469 H  HD11 . LEU Cxp C 66  ? 18.488 30.637  92.004  1   111.768 ? 494 C 1 c
ATOM 3470 H  HD12 . LEU Cxp C 66  ? 17.142 29.84   91.737  1   111.768 ? 494 C 1 c
ATOM 3471 H  HD13 . LEU Cxp C 66  ? 17.827 29.784  93.167  1   111.768 ? 494 C 1 c
ATOM 3472 H  HD21 . LEU Cxp C 66  ? 14.804 31.856  93.135  1   108.936 ? 494 C 1 c
ATOM 3473 H  HD22 . LEU Cxp C 66  ? 15.51  31.161  94.374  1   108.787 ? 494 C 1 c
ATOM 3474 H  HD23 . LEU Cxp C 66  ? 15.201 30.323  93.064  1   109.185 ? 494 C 1 c
ATOM 3475 N  N    . LEU Cxp C 67  ? 16.057 33.356  96.551  1   94.774  ? 495 C 1 .
ATOM 3476 C  CA   . LEU Cxp C 67  ? 16.203 33.24   97.981  1   100.216 ? 495 C 1 .
ATOM 3477 C  C    . LEU Cxp C 67  ? 16.07  31.779  98.372  1   101.128 ? 495 C 1 .
ATOM 3478 O  O    . LEU Cxp C 67  ? 15.009 31.227  98.183  1   99.405  ? 495 C 1 .
ATOM 3479 C  CB   . LEU Cxp C 67  ? 15.158 34.07   98.713  1   97.692  ? 495 C 1 .
ATOM 3480 C  CG   . LEU Cxp C 67  ? 15.335 33.987  100.23  1   102.187 ? 495 C 1 .
ATOM 3481 C  CD1  . LEU Cxp C 67  ? 16.743 34.508  100.528 1   92.463  ? 495 C 1 .
ATOM 3482 C  CD2  . LEU Cxp C 67  ? 14.265 34.703  101.038 1   111.533 ? 495 C 1 .
ATOM 3483 H  H    . LEU Cxp C 67  ? 15.262 33.13   96.16   1   95.541  ? 495 C 1 c
ATOM 3484 H  HA   . LEU Cxp C 67  ? 17.106 33.556  98.231  1   98.958  ? 495 C 1 c
ATOM 3485 H  HB3  . LEU Cxp C 67  ? 14.263 33.732  98.477  1   99.262  ? 495 C 1 c
ATOM 3486 H  HB2  . LEU Cxp C 67  ? 15.243 35.009  98.43   1   99.238  ? 495 C 1 c
ATOM 3487 H  HG   . LEU Cxp C 67  ? 15.309 33.031  100.49  1   101.128 ? 495 C 1 c
ATOM 3488 H  HD11 . LEU Cxp C 67  ? 17.38  33.776  100.472 1   95.31   ? 495 C 1 c
ATOM 3489 H  HD12 . LEU Cxp C 67  ? 16.766 34.884  101.424 1   95.343  ? 495 C 1 c
ATOM 3490 H  HD13 . LEU Cxp C 67  ? 16.983 35.196  99.885  1   95.34   ? 495 C 1 c
ATOM 3491 H  HD21 . LEU Cxp C 67  ? 13.387 34.393  100.762 1   108.687 ? 495 C 1 c
ATOM 3492 H  HD22 . LEU Cxp C 67  ? 14.332 35.661  100.888 1   108.687 ? 495 C 1 c
ATOM 3493 H  HD23 . LEU Cxp C 67  ? 14.391 34.515  101.984 1   108.687 ? 495 C 1 c
ATOM 3494 N  N    . PHE Cxp C 68  ? 17.111 31.191  98.968  1   105.615 ? 496 C 1 .
ATOM 3495 C  CA   . PHE Cxp C 68  ? 16.978 29.914  99.645  1   103.51  ? 496 C 1 .
ATOM 3496 C  C    . PHE Cxp C 68  ? 16.534 30.193  101.075 1   89.426  ? 496 C 1 .
ATOM 3497 O  O    . PHE Cxp C 68  ? 17.067 31.079  101.717 1   80.744  ? 496 C 1 .
ATOM 3498 C  CB   . PHE Cxp C 68  ? 18.326 29.197  99.609  1   127.853 ? 496 C 1 .
ATOM 3499 C  CG   . PHE Cxp C 68  ? 18.792 28.816  98.214  1   122.432 ? 496 C 1 .
ATOM 3500 C  CD1  . PHE Cxp C 68  ? 19.307 29.752  97.329  1   116.864 ? 496 C 1 .
ATOM 3501 C  CD2  . PHE Cxp C 68  ? 18.747 27.495  97.813  1   124.78  ? 496 C 1 .
ATOM 3502 C  CE1  . PHE Cxp C 68  ? 19.716 29.372  96.062  1   132.633 ? 496 C 1 .
ATOM 3503 C  CE2  . PHE Cxp C 68  ? 19.173 27.119  96.55   1   145.216 ? 496 C 1 .
ATOM 3504 C  CZ   . PHE Cxp C 68  ? 19.644 28.06   95.673  1   149.035 ? 496 C 1 .
ATOM 3505 H  H    . PHE Cxp C 68  ? 17.925 31.608  98.966  1   104.448 ? 496 C 1 c
ATOM 3506 H  HA   . PHE Cxp C 68  ? 16.295 29.361  99.182  1   104.961 ? 496 C 1 c
ATOM 3507 H  HB3  . PHE Cxp C 68  ? 18.26  28.382  100.156 1   120.705 ? 496 C 1 c
ATOM 3508 H  HB2  . PHE Cxp C 68  ? 19.001 29.778  100.021 1   120.614 ? 496 C 1 c
ATOM 3509 H  HD1  . PHE Cxp C 68  ? 19.344 30.661  97.579  1   121.786 ? 496 C 1 c
ATOM 3510 H  HD2  . PHE Cxp C 68  ? 18.41  26.841  98.405  1   128.771 ? 496 C 1 c
ATOM 3511 H  HE1  . PHE Cxp C 68  ? 20.047 30.019  95.463  1   132.425 ? 496 C 1 c
ATOM 3512 H  HE2  . PHE Cxp C 68  ? 19.119 26.214  96.287  1   140.686 ? 496 C 1 c
ATOM 3513 H  HZ   . PHE Cxp C 68  ? 19.937 27.802  94.815  1   143.77  ? 496 C 1 c
ATOM 3514 N  N    . VAL Cxp C 69  ? 15.551 29.448  101.566 1   94.237  ? 497 C 1 .
ATOM 3515 C  CA   . VAL Cxp C 69  ? 14.95  29.709  102.867 1   100.072 ? 497 C 1 .
ATOM 3516 C  C    . VAL Cxp C 69  ? 15.976 29.452  103.982 1   104.386 ? 497 C 1 .
ATOM 3517 O  O    . VAL Cxp C 69  ? 15.858 30.023  105.072 1   90.828  ? 497 C 1 .
ATOM 3518 C  CB   . VAL Cxp C 69  ? 13.681 28.838  103.004 1   107.645 ? 497 C 1 .
ATOM 3519 C  CG1  . VAL Cxp C 69  ? 13.993 27.34   103.015 1   140.264 ? 497 C 1 .
ATOM 3520 C  CG2  . VAL Cxp C 69  ? 12.849 29.187  104.221 1   94.001  ? 497 C 1 .
ATOM 3521 H  H    . VAL Cxp C 69  ? 15.232 28.752  101.066 1   95.058  ? 497 C 1 c
ATOM 3522 H  HA   . VAL Cxp C 69  ? 14.686 30.649  102.9   1   100.828 ? 497 C 1 c
ATOM 3523 H  HB   . VAL Cxp C 69  ? 13.126 29.016  102.209 1   108.788 ? 497 C 1 c
ATOM 3524 H  HG11 . VAL Cxp C 69  ? 14.5   27.118  103.814 1   129.407 ? 497 C 1 c
ATOM 3525 H  HG12 . VAL Cxp C 69  ? 14.512 27.107  102.228 1   128.865 ? 497 C 1 c
ATOM 3526 H  HG13 . VAL Cxp C 69  ? 13.161 26.837  103.011 1   129.508 ? 497 C 1 c
ATOM 3527 H  HG21 . VAL Cxp C 69  ? 11.959 28.806  104.126 1   97.904  ? 497 C 1 c
ATOM 3528 H  HG22 . VAL Cxp C 69  ? 12.78  30.153  104.301 1   97.904  ? 497 C 1 c
ATOM 3529 H  HG23 . VAL Cxp C 69  ? 13.272 28.826  105.018 1   98.061  ? 497 C 1 c
ATOM 3530 N  N    . LYS Cxp C 70  ? 16.97  28.588  103.694 1   98.106  ? 498 C 1 .
ATOM 3531 C  CA   . LYS Cxp C 70  ? 18.129 28.372  104.55  1   98.835  ? 498 C 1 .
ATOM 3532 C  C    . LYS Cxp C 70  ? 18.715 29.685  105.051 1   104.814 ? 498 C 1 .
ATOM 3533 O  O    . LYS Cxp C 70  ? 19.145 29.776  106.206 1   86.154  ? 498 C 1 .
ATOM 3534 C  CB   . LYS Cxp C 70  ? 19.298 27.788  103.754 1   115.412 ? 498 C 1 .
ATOM 3535 C  CG   . LYS Cxp C 70  ? 19.75  26.381  104.068 1   139.696 ? 498 C 1 .
ATOM 3536 C  CD   . LYS Cxp C 70  ? 20.724 25.887  103.006 1   140.916 ? 498 C 1 .
ATOM 3537 C  CE   . LYS Cxp C 70  ? 20.024 25.701  101.685 1   134.161 ? 498 C 1 .
ATOM 3538 N  NZ   . LYS Cxp C 70  ? 21.01  25.592  100.615 1   143.357 ? 498 C 1 .
ATOM 3539 H  H    . LYS Cxp C 70  ? 16.903 28.09   102.931 1   99.869  ? 498 C 1 c
ATOM 3540 H  HA   . LYS Cxp C 70  ? 17.878 27.793  105.313 1   102.618 ? 498 C 1 c
ATOM 3541 H  HB3  . LYS Cxp C 70  ? 20.072 28.379  103.875 1   116.365 ? 498 C 1 c
ATOM 3542 H  HB2  . LYS Cxp C 70  ? 19.058 27.826  102.805 1   116.529 ? 498 C 1 c
ATOM 3543 H  HG3  . LYS Cxp C 70  ? 18.966 25.789  104.099 1   133.956 ? 498 C 1 c
ATOM 3544 H  HG2  . LYS Cxp C 70  ? 20.187 26.371  104.947 1   133.956 ? 498 C 1 c
ATOM 3545 H  HD3  . LYS Cxp C 70  ? 21.111 25.031  103.291 1   139.063 ? 498 C 1 c
ATOM 3546 H  HD2  . LYS Cxp C 70  ? 21.45  26.539  102.9   1   139.07  ? 498 C 1 c
ATOM 3547 H  HE3  . LYS Cxp C 70  ? 19.433 26.448  101.491 1   137.483 ? 498 C 1 c
ATOM 3548 H  HE2  . LYS Cxp C 70  ? 19.49  24.887  101.71  1   137.753 ? 498 C 1 c
ATOM 3549 H  HZ1  . LYS Cxp C 70  ? 21.592 24.922  100.799 1   140.462 ? 498 C 1 c
ATOM 3550 H  HZ2  . LYS Cxp C 70  ? 21.467 26.371  100.537 1   140.453 ? 498 C 1 c
ATOM 3551 H  HZ3  . LYS Cxp C 70  ? 20.591 25.414  99.831  1   140.46  ? 498 C 1 c
ATOM 3552 N  N    . ASP Cxp C 71  ? 18.757 30.658  104.125 1   108.682 ? 499 C 1 .
ATOM 3553 C  CA   . ASP Cxp C 71  ? 19.441 31.933  104.278 1   100.914 ? 499 C 1 .
ATOM 3554 C  C    . ASP Cxp C 71  ? 18.763 32.811  105.329 1   97.553  ? 499 C 1 .
ATOM 3555 O  O    . ASP Cxp C 71  ? 19.285 33.868  105.647 1   101.276 ? 499 C 1 .
ATOM 3556 C  CB   . ASP Cxp C 71  ? 19.511 32.628  102.931 1   108.805 ? 499 C 1 .
ATOM 3557 C  CG   . ASP Cxp C 71  ? 20.052 31.789  101.774 1   124.412 ? 499 C 1 .
ATOM 3558 O  OD1  . ASP Cxp C 71  ? 20.805 30.824  102.046 1   115.993 ? 499 C 1 .
ATOM 3559 O  OD2  . ASP Cxp C 71  ? 19.723 32.114  100.607 1   130.93  ? 499 C 1 .
ATOM 3560 H  H    . ASP Cxp C 71  ? 18.328 30.506  103.334 1   105.854 ? 499 C 1 c
ATOM 3561 H  HA   . ASP Cxp C 71  ? 20.363 31.753  104.571 1   103.181 ? 499 C 1 c
ATOM 3562 H  HB3  . ASP Cxp C 71  ? 20.081 33.42   103.022 1   110.29  ? 499 C 1 c
ATOM 3563 H  HB2  . ASP Cxp C 71  ? 18.613 32.937  102.691 1   110.026 ? 499 C 1 c
ATOM 3564 N  N    . LEU Cxp C 72  ? 17.614 32.382  105.87  1   100.496 ? 500 C 1 .
ATOM 3565 C  CA   . LEU Cxp C 72  ? 16.957 33.076  106.971 1   98.481  ? 500 C 1 .
ATOM 3566 C  C    . LEU Cxp C 72  ? 17.471 32.572  108.317 1   102.212 ? 500 C 1 .
ATOM 3567 O  O    . LEU Cxp C 72  ? 16.987 33.002  109.371 1   99.792  ? 500 C 1 .
ATOM 3568 C  CB   . LEU Cxp C 72  ? 15.456 32.834  106.884 1   93.531  ? 500 C 1 .
ATOM 3569 C  CG   . LEU Cxp C 72  ? 14.757 33.218  105.581 1   90.508  ? 500 C 1 .
ATOM 3570 C  CD1  . LEU Cxp C 72  ? 13.27  33.02   105.816 1   100.394 ? 500 C 1 .
ATOM 3571 C  CD2  . LEU Cxp C 72  ? 15.039 34.624  105.136 1   86.281  ? 500 C 1 .
ATOM 3572 H  H    . LEU Cxp C 72  ? 17.209 31.64   105.526 1   99.433  ? 500 C 1 c
ATOM 3573 H  HA   . LEU Cxp C 72  ? 17.14  34.046  106.894 1   98.374  ? 500 C 1 c
ATOM 3574 H  HB3  . LEU Cxp C 72  ? 15.024 33.322  107.622 1   94.32   ? 500 C 1 c
ATOM 3575 H  HB2  . LEU Cxp C 72  ? 15.3   31.876  107.029 1   94.5    ? 500 C 1 c
ATOM 3576 H  HG   . LEU Cxp C 72  ? 15.052 32.594  104.868 1   91.986  ? 500 C 1 c
ATOM 3577 H  HD11 . LEU Cxp C 72  ? 13.106 32.11   106.115 1   97.317  ? 500 C 1 c
ATOM 3578 H  HD12 . LEU Cxp C 72  ? 12.786 33.181  104.989 1   97.348  ? 500 C 1 c
ATOM 3579 H  HD13 . LEU Cxp C 72  ? 12.962 33.643  106.496 1   97.333  ? 500 C 1 c
ATOM 3580 H  HD21 . LEU Cxp C 72  ? 15.95  34.683  104.801 1   87.587  ? 500 C 1 c
ATOM 3581 H  HD22 . LEU Cxp C 72  ? 14.932 35.231  105.887 1   87.55   ? 500 C 1 c
ATOM 3582 H  HD23 . LEU Cxp C 72  ? 14.419 34.872  104.429 1   87.603  ? 500 C 1 c
ATOM 3583 N  N    . ALA Cxp C 73  ? 18.431 31.642  108.264 1   102.703 ? 501 C 1 .
ATOM 3584 C  CA   . ALA Cxp C 73  ? 18.87  30.906  109.434 1   115.625 ? 501 C 1 .
ATOM 3585 C  C    . ALA Cxp C 73  ? 19.393 31.869  110.488 1   108.269 ? 501 C 1 .
ATOM 3586 O  O    . ALA Cxp C 73  ? 19.01  31.793  111.664 1   103.384 ? 501 C 1 .
ATOM 3587 C  CB   . ALA Cxp C 73  ? 19.934 29.907  109.042 1   118.679 ? 501 C 1 .
ATOM 3588 H  H    . ALA Cxp C 73  ? 18.831 31.459  107.463 1   105.42  ? 501 C 1 c
ATOM 3589 H  HA   . ALA Cxp C 73  ? 18.085 30.421  109.813 1   112.083 ? 501 C 1 c
ATOM 3590 H  HB3  . ALA Cxp C 73  ? 20.429 29.63   109.831 1   117.583 ? 501 C 1 c
ATOM 3591 H  HB2  . ALA Cxp C 73  ? 20.547 30.312  108.406 1   117.4   ? 501 C 1 c
ATOM 3592 H  HB1  . ALA Cxp C 73  ? 19.518 29.128  108.637 1   117.458 ? 501 C 1 c
ATOM 3593 N  N    . PHE Cxp C 74  ? 20.25  32.781  110.022 1   95.815  ? 502 C 1 .
ATOM 3594 C  CA   . PHE Cxp C 74  ? 20.925 33.696  110.92  1   110.603 ? 502 C 1 .
ATOM 3595 C  C    . PHE Cxp C 74  ? 20.25  35.067  110.897 1   109.611 ? 502 C 1 .
ATOM 3596 O  O    . PHE Cxp C 74  ? 20.819 36.068  111.319 1   116.706 ? 502 C 1 .
ATOM 3597 C  CB   . PHE Cxp C 74  ? 22.403 33.657  110.533 1   111.138 ? 502 C 1 .
ATOM 3598 C  CG   . PHE Cxp C 74  ? 23.111 32.406  111.036 1   101.998 ? 502 C 1 .
ATOM 3599 C  CD1  . PHE Cxp C 74  ? 23.42  32.242  112.389 1   133.705 ? 502 C 1 .
ATOM 3600 C  CD2  . PHE Cxp C 74  ? 23.472 31.403  110.151 1   81.281  ? 502 C 1 .
ATOM 3601 C  CE1  . PHE Cxp C 74  ? 24.08  31.101  112.839 1   155.613 ? 502 C 1 .
ATOM 3602 C  CE2  . PHE Cxp C 74  ? 24.149 30.276  110.592 1   88.92   ? 502 C 1 .
ATOM 3603 C  CZ   . PHE Cxp C 74  ? 24.441 30.117  111.937 1   140.253 ? 502 C 1 .
ATOM 3604 H  H    . PHE Cxp C 74  ? 20.418 32.834  109.126 1   102.098 ? 502 C 1 c
ATOM 3605 H  HA   . PHE Cxp C 74  ? 20.846 33.337  111.842 1   107.519 ? 502 C 1 c
ATOM 3606 H  HB3  . PHE Cxp C 74  ? 22.848 34.449  110.907 1   108.821 ? 502 C 1 c
ATOM 3607 H  HB2  . PHE Cxp C 74  ? 22.476 33.697  109.553 1   108.422 ? 502 C 1 c
ATOM 3608 H  HD1  . PHE Cxp C 74  ? 23.177 32.915  113.005 1   129.461 ? 502 C 1 c
ATOM 3609 H  HD2  . PHE Cxp C 74  ? 23.284 31.506  109.232 1   88.592  ? 502 C 1 c
ATOM 3610 H  HE1  . PHE Cxp C 74  ? 24.282 31.002  113.756 1   145.202 ? 502 C 1 c
ATOM 3611 H  HE2  . PHE Cxp C 74  ? 24.384 29.6    109.976 1   97.575  ? 502 C 1 c
ATOM 3612 H  HZ   . PHE Cxp C 74  ? 24.887 29.34   112.236 1   128.438 ? 502 C 1 c
ATOM 3613 N  N    . VAL Cxp C 75  ? 19     35.117  110.447 1   109.449 ? 503 C 1 .
ATOM 3614 C  CA   . VAL Cxp C 75  ? 18.289 36.379  110.42  1   105.867 ? 503 C 1 .
ATOM 3615 C  C    . VAL Cxp C 75  ? 17.411 36.477  111.672 1   105.499 ? 503 C 1 .
ATOM 3616 O  O    . VAL Cxp C 75  ? 16.618 35.574  111.95  1   117.26  ? 503 C 1 .
ATOM 3617 C  CB   . VAL Cxp C 75  ? 17.496 36.528  109.101 1   97.95   ? 503 C 1 .
ATOM 3618 C  CG1  . VAL Cxp C 75  ? 16.747 37.855  109.04  1   104.705 ? 503 C 1 .
ATOM 3619 C  CG2  . VAL Cxp C 75  ? 18.39  36.374  107.87  1   79.773  ? 503 C 1 .
ATOM 3620 H  H    . VAL Cxp C 75  ? 18.577 34.361  110.159 1   108.532 ? 503 C 1 c
ATOM 3621 H  HA   . VAL Cxp C 75  ? 18.947 37.099  110.453 1   105.051 ? 503 C 1 c
ATOM 3622 H  HB   . VAL Cxp C 75  ? 16.827 35.803  109.081 1   96.82   ? 503 C 1 c
ATOM 3623 H  HG11 . VAL Cxp C 75  ? 17.371 38.587  109.181 1   102.653 ? 503 C 1 c
ATOM 3624 H  HG12 . VAL Cxp C 75  ? 16.064 37.877  109.731 1   102.704 ? 503 C 1 c
ATOM 3625 H  HG13 . VAL Cxp C 75  ? 16.327 37.952  108.169 1   102.55  ? 503 C 1 c
ATOM 3626 H  HG21 . VAL Cxp C 75  ? 17.868 36.537  107.067 1   84.9    ? 503 C 1 c
ATOM 3627 H  HG22 . VAL Cxp C 75  ? 18.753 35.473  107.842 1   84.973  ? 503 C 1 c
ATOM 3628 H  HG23 . VAL Cxp C 75  ? 19.119 37.015  107.917 1   84.815  ? 503 C 1 c
ATOM 3629 N  N    . ASP Cxp C 76  ? 17.555 37.592  112.41  1   103.753 ? 504 C 1 .
ATOM 3630 C  CA   . ASP Cxp C 76  ? 16.625 37.968  113.475 1   93.266  ? 504 C 1 .
ATOM 3631 C  C    . ASP Cxp C 76  ? 15.481 38.797  112.905 1   90.82   ? 504 C 1 .
ATOM 3632 O  O    . ASP Cxp C 76  ? 15.695 39.849  112.318 1   98.269  ? 504 C 1 .
ATOM 3633 C  CB   . ASP Cxp C 76  ? 17.309 38.739  114.591 1   96.669  ? 504 C 1 .
ATOM 3634 C  CG   . ASP Cxp C 76  ? 16.558 38.878  115.909 1   125.849 ? 504 C 1 .
ATOM 3635 O  OD1  . ASP Cxp C 76  ? 15.321 38.688  115.927 1   147.512 ? 504 C 1 .
ATOM 3636 O  OD2  . ASP Cxp C 76  ? 17.223 39.171  116.933 1   175.517 ? 504 C 1 .
ATOM 3637 H  H    . ASP Cxp C 76  ? 18.267 38.141  112.244 1   101.754 ? 504 C 1 c
ATOM 3638 H  HA   . ASP Cxp C 76  ? 16.258 37.149  113.863 1   96.387  ? 504 C 1 c
ATOM 3639 H  HB3  . ASP Cxp C 76  ? 17.495 39.64   114.262 1   102.27  ? 504 C 1 c
ATOM 3640 H  HB2  . ASP Cxp C 76  ? 18.169 38.309  114.779 1   101.965 ? 504 C 1 c
ATOM 3641 N  N    . PRO Cxp C 77  ? 14.219 38.367  113.08  1   115.673 ? 505 C 1 .
ATOM 3642 C  CA   . PRO Cxp C 77  ? 13.072 39.16   112.657 1   135.949 ? 505 C 1 .
ATOM 3643 C  C    . PRO Cxp C 77  ? 12.923 40.506  113.371 1   136.6   ? 505 C 1 .
ATOM 3644 O  O    . PRO Cxp C 77  ? 12.496 41.465  112.729 1   131.307 ? 505 C 1 .
ATOM 3645 C  CB   . PRO Cxp C 77  ? 11.889 38.247  112.96  1   155.681 ? 505 C 1 .
ATOM 3646 C  CG   . PRO Cxp C 77  ? 12.396 37.367  114.088 1   157.833 ? 505 C 1 .
ATOM 3647 C  CD   . PRO Cxp C 77  ? 13.821 37.102  113.713 1   146.047 ? 505 C 1 .
ATOM 3648 H  HA   . PRO Cxp C 77  ? 13.124 39.312  111.69  1   134.954 ? 505 C 1 c
ATOM 3649 H  HB3  . PRO Cxp C 77  ? 11.651 37.712  112.178 1   151.456 ? 505 C 1 c
ATOM 3650 H  HB2  . PRO Cxp C 77  ? 11.11  38.765  113.243 1   151.385 ? 505 C 1 c
ATOM 3651 H  HG3  . PRO Cxp C 77  ? 11.888 36.532  114.138 1   154.529 ? 505 C 1 c
ATOM 3652 H  HG2  . PRO Cxp C 77  ? 12.34  37.827  114.948 1   154.347 ? 505 C 1 c
ATOM 3653 H  HD3  . PRO Cxp C 77  ? 14.363 36.914  114.502 1   140.038 ? 505 C 1 c
ATOM 3654 H  HD2  . PRO Cxp C 77  ? 13.894 36.358  113.084 1   140.606 ? 505 C 1 c
ATOM 3655 N  N    . ASP Cxp C 78  ? 13.234 40.556  114.688 1   131.438 ? 506 C 1 .
ATOM 3656 C  CA   . ASP Cxp C 78  ? 13.285 41.798  115.45  1   106.941 ? 506 C 1 .
ATOM 3657 C  C    . ASP Cxp C 78  ? 14.167 42.816  114.702 1   103.995 ? 506 C 1 .
ATOM 3658 O  O    . ASP Cxp C 78  ? 13.947 44.018  114.838 1   120.613 ? 506 C 1 .
ATOM 3659 C  CB   . ASP Cxp C 78  ? 13.794 41.643  116.888 1   105.571 ? 506 C 1 .
ATOM 3660 C  CG   . ASP Cxp C 78  ? 13.055 40.794  117.931 1   105.931 ? 506 C 1 .
ATOM 3661 O  OD1  . ASP Cxp C 78  ? 11.782 40.814  117.973 1   86.633  ? 506 C 1 .
ATOM 3662 O  OD2  . ASP Cxp C 78  ? 13.782 40.2    118.796 1   93.984  ? 506 C 1 .
ATOM 3663 H  H    . ASP Cxp C 78  ? 13.424 39.776  115.124 1   126.792 ? 506 C 1 c
ATOM 3664 H  HA   . ASP Cxp C 78  ? 12.372 42.161  115.5   1   110.516 ? 506 C 1 c
ATOM 3665 H  HB3  . ASP Cxp C 78  ? 13.866 42.545  117.265 1   105.941 ? 506 C 1 c
ATOM 3666 H  HB2  . ASP Cxp C 78  ? 14.706 41.287  116.83  1   105.886 ? 506 C 1 c
ATOM 3667 N  N    . ASP Cxp C 79  ? 15.18  42.367  113.933 1   102.157 ? 507 C 1 .
ATOM 3668 C  CA   . ASP Cxp C 79  ? 16.131 43.273  113.294 1   107.215 ? 507 C 1 .
ATOM 3669 C  C    . ASP Cxp C 79  ? 15.578 43.909  112.027 1   111.751 ? 507 C 1 .
ATOM 3670 O  O    . ASP Cxp C 79  ? 16.123 44.909  111.582 1   139.158 ? 507 C 1 .
ATOM 3671 C  CB   . ASP Cxp C 79  ? 17.467 42.629  112.955 1   114.487 ? 507 C 1 .
ATOM 3672 C  CG   . ASP Cxp C 79  ? 18.37  42.365  114.154 1   139.731 ? 507 C 1 .
ATOM 3673 O  OD1  . ASP Cxp C 79  ? 18.344 43.181  115.1   1   137.529 ? 507 C 1 .
ATOM 3674 O  OD2  . ASP Cxp C 79  ? 19.108 41.356  114.134 1   159.441 ? 507 C 1 .
ATOM 3675 H  H    . ASP Cxp C 79  ? 15.296 41.468  113.823 1   104.007 ? 507 C 1 c
ATOM 3676 H  HA   . ASP Cxp C 79  ? 16.326 43.998  113.93  1   108.686 ? 507 C 1 c
ATOM 3677 H  HB3  . ASP Cxp C 79  ? 17.957 43.21   112.337 1   118.189 ? 507 C 1 c
ATOM 3678 H  HB2  . ASP Cxp C 79  ? 17.306 41.778  112.5   1   118.186 ? 507 C 1 c
ATOM 3679 N  N    . CYS Cxp C 80  ? 14.532 43.335  111.435 1   110.574 ? 508 C 1 .
ATOM 3680 C  CA   . CYS Cxp C 80  ? 13.933 43.923  110.244 1   112.501 ? 508 C 1 .
ATOM 3681 C  C    . CYS Cxp C 80  ? 14.965 44.149  109.141 1   119.737 ? 508 C 1 .
ATOM 3682 O  O    . CYS Cxp C 80  ? 14.956 45.198  108.504 1   98.212  ? 508 C 1 .
ATOM 3683 C  CB   . CYS Cxp C 80  ? 13.221 45.238  110.538 1   93.994  ? 508 C 1 .
ATOM 3684 S  SG   . CYS Cxp C 80  ? 11.712 44.981  111.504 1   124.014 ? 508 C 1 .
ATOM 3685 H  H    . CYS Cxp C 80  ? 14.184 42.559  111.769 1   111.267 ? 508 C 1 c
ATOM 3686 H  HA   . CYS Cxp C 80  ? 13.256 43.283  109.904 1   109.766 ? 508 C 1 c
ATOM 3687 H  HB3  . CYS Cxp C 80  ? 12.981 45.68   109.695 1   103.622 ? 508 C 1 c
ATOM 3688 H  HB2  . CYS Cxp C 80  ? 13.82  45.835  111.039 1   103.642 ? 508 C 1 c
ATOM 3689 H  HG   . CYS Cxp C 80  ? 11.412 46.126  111.579 0   112.61  ? 508 C 1 c
ATOM 3690 N  N    . THR Cxp C 81  ? 15.776 43.116  108.87  1   127.808 ? 509 C 1 .
ATOM 3691 C  CA   . THR Cxp C 81  ? 16.814 43.16   107.854 1   110.815 ? 509 C 1 .
ATOM 3692 C  C    . THR Cxp C 81  ? 16.201 43.079  106.458 1   113.614 ? 509 C 1 .
ATOM 3693 O  O    . THR Cxp C 81  ? 15.46  42.151  106.156 1   150.428 ? 509 C 1 .
ATOM 3694 C  CB   . THR Cxp C 81  ? 17.747 41.973  108.054 1   113.483 ? 509 C 1 .
ATOM 3695 O  OG1  . THR Cxp C 81  ? 18.094 41.941  109.439 1   147.321 ? 509 C 1 .
ATOM 3696 C  CG2  . THR Cxp C 81  ? 18.936 42.03   107.109 1   93.951  ? 509 C 1 .
ATOM 3697 H  H    . THR Cxp C 81  ? 15.668 42.342  109.344 1   121.632 ? 509 C 1 c
ATOM 3698 H  HA   . THR Cxp C 81  ? 17.323 43.991  107.951 1   114.735 ? 509 C 1 c
ATOM 3699 H  HB   . THR Cxp C 81  ? 17.247 41.149  107.842 1   114.923 ? 509 C 1 c
ATOM 3700 H  HG1  . THR Cxp C 81  ? 18.745 42.757  109.52  0   118.9   ? 509 C 1 c
ATOM 3701 H  HG21 . THR Cxp C 81  ? 19.693 41.571  107.511 1   99.401  ? 509 C 1 c
ATOM 3702 H  HG22 . THR Cxp C 81  ? 19.174 42.957  106.938 1   99.524  ? 509 C 1 c
ATOM 3703 H  HG23 . THR Cxp C 81  ? 18.705 41.596  106.27  1   99.446  ? 509 C 1 c
ATOM 3704 N  N    . PRO Cxp C 82  ? 16.513 44.024  105.554 1   102.706 ? 510 C 1 .
ATOM 3705 C  CA   . PRO Cxp C 82  ? 16.101 43.964  104.155 1   111.067 ? 510 C 1 .
ATOM 3706 C  C    . PRO Cxp C 82  ? 16.619 42.765  103.37  1   105.465 ? 510 C 1 .
ATOM 3707 O  O    . PRO Cxp C 82  ? 17.685 42.245  103.654 1   104.198 ? 510 C 1 .
ATOM 3708 C  CB   . PRO Cxp C 82  ? 16.68  45.225  103.544 1   107.394 ? 510 C 1 .
ATOM 3709 C  CG   . PRO Cxp C 82  ? 16.688 46.128  104.756 1   121.816 ? 510 C 1 .
ATOM 3710 C  CD   . PRO Cxp C 82  ? 17.205 45.27   105.859 1   116.599 ? 510 C 1 .
ATOM 3711 H  HA   . PRO Cxp C 82  ? 15.125 43.993  104.104 1   107.52  ? 510 C 1 c
ATOM 3712 H  HB3  . PRO Cxp C 82  ? 16.104 45.578  102.838 1   111.328 ? 510 C 1 c
ATOM 3713 H  HB2  . PRO Cxp C 82  ? 17.584 45.077  103.202 1   111.3   ? 510 C 1 c
ATOM 3714 H  HG3  . PRO Cxp C 82  ? 15.787 46.448  104.96  1   117.218 ? 510 C 1 c
ATOM 3715 H  HG2  . PRO Cxp C 82  ? 17.274 46.899  104.615 1   117.218 ? 510 C 1 c
ATOM 3716 H  HD3  . PRO Cxp C 82  ? 18.174 45.158  105.813 1   114.292 ? 510 C 1 c
ATOM 3717 H  HD2  . PRO Cxp C 82  ? 16.949 45.617  106.734 1   114.22  ? 510 C 1 c
ATOM 3718 N  N    . LEU Cxp C 83  ? 15.839 42.348  102.374 1   93.585  ? 511 C 1 .
ATOM 3719 C  CA   . LEU Cxp C 83  ? 16.158 41.198  101.561 1   98.911  ? 511 C 1 .
ATOM 3720 C  C    . LEU Cxp C 83  ? 17.425 41.433  100.737 1   113.869 ? 511 C 1 .
ATOM 3721 O  O    . LEU Cxp C 83  ? 18.196 40.489  100.561 1   123.157 ? 511 C 1 .
ATOM 3722 C  CB   . LEU Cxp C 83  ? 14.944 40.934  100.677 1   109.215 ? 511 C 1 .
ATOM 3723 C  CG   . LEU Cxp C 83  ? 15.069 39.772  99.692  1   107.038 ? 511 C 1 .
ATOM 3724 C  CD1  . LEU Cxp C 83  ? 15.176 38.477  100.475 1   112.045 ? 511 C 1 .
ATOM 3725 C  CD2  . LEU Cxp C 83  ? 13.923 39.731  98.71   1   92.916  ? 511 C 1 .
ATOM 3726 H  H    . LEU Cxp C 83  ? 15.07  42.809  102.194 1   97.815  ? 511 C 1 c
ATOM 3727 H  HA   . LEU Cxp C 83  ? 16.304 40.422  102.16  1   102.303 ? 511 C 1 c
ATOM 3728 H  HB3  . LEU Cxp C 83  ? 14.754 41.754  100.165 1   106.116 ? 511 C 1 c
ATOM 3729 H  HB2  . LEU Cxp C 83  ? 14.17  40.764  101.262 1   106.274 ? 511 C 1 c
ATOM 3730 H  HG   . LEU Cxp C 83  ? 15.906 39.891  99.177  1   105.817 ? 511 C 1 c
ATOM 3731 H  HD11 . LEU Cxp C 83  ? 16.04  38.434  100.917 1   110.376 ? 511 C 1 c
ATOM 3732 H  HD12 . LEU Cxp C 83  ? 15.087 37.723  99.868  1   110.307 ? 511 C 1 c
ATOM 3733 H  HD13 . LEU Cxp C 83  ? 14.47  38.44   101.141 1   110.47  ? 511 C 1 c
ATOM 3734 H  HD21 . LEU Cxp C 83  ? 13.914 40.549  98.186  1   96.929  ? 511 C 1 c
ATOM 3735 H  HD22 . LEU Cxp C 83  ? 13.084 39.647  99.193  1   96.929  ? 511 C 1 c
ATOM 3736 H  HD23 . LEU Cxp C 83  ? 14.031 38.968  98.116  1   96.993  ? 511 C 1 c
ATOM 3737 N  N    . LYS Cxp C 84  ? 17.628 42.656  100.209 1   112.497 ? 512 C 1 .
ATOM 3738 C  CA   . LYS Cxp C 84  ? 18.745 42.928  99.311  1   115.245 ? 512 C 1 .
ATOM 3739 C  C    . LYS Cxp C 84  ? 20.07  42.534  99.967  1   125.144 ? 512 C 1 .
ATOM 3740 O  O    . LYS Cxp C 84  ? 21.01  42.117  99.284  1   150.045 ? 512 C 1 .
ATOM 3741 C  CB   . LYS Cxp C 84  ? 18.833 44.385  98.839  1   121.287 ? 512 C 1 .
ATOM 3742 C  CG   . LYS Cxp C 84  ? 17.813 44.819  97.787  1   147.219 ? 512 C 1 .
ATOM 3743 C  CD   . LYS Cxp C 84  ? 18.098 46.144  97.074  1   153.766 ? 512 C 1 .
ATOM 3744 C  CE   . LYS Cxp C 84  ? 16.902 46.737  96.365  1   161.481 ? 512 C 1 .
ATOM 3745 N  NZ   . LYS Cxp C 84  ? 16.485 46.033  95.145  1   165.529 ? 512 C 1 .
ATOM 3746 H  H    . LYS Cxp C 84  ? 17.051 43.335  100.412 1   113.234 ? 512 C 1 c
ATOM 3747 H  HA   . LYS Cxp C 84  ? 18.625 42.367  98.506  1   117.793 ? 512 C 1 c
ATOM 3748 H  HB3  . LYS Cxp C 84  ? 19.731 44.538  98.474  1   125.334 ? 512 C 1 c
ATOM 3749 H  HB2  . LYS Cxp C 84  ? 18.732 44.968  99.621  1   125.331 ? 512 C 1 c
ATOM 3750 H  HG3  . LYS Cxp C 84  ? 16.935 44.882  98.222  1   142.296 ? 512 C 1 c
ATOM 3751 H  HG2  . LYS Cxp C 84  ? 17.751 44.109  97.111  1   142.067 ? 512 C 1 c
ATOM 3752 H  HD3  . LYS Cxp C 84  ? 18.814 45.999  96.418  1   155.063 ? 512 C 1 c
ATOM 3753 H  HD2  . LYS Cxp C 84  ? 18.429 46.791  97.734  1   154.192 ? 512 C 1 c
ATOM 3754 H  HE3  . LYS Cxp C 84  ? 17.106 47.661  96.132  1   160.605 ? 512 C 1 c
ATOM 3755 H  HE2  . LYS Cxp C 84  ? 16.15  46.752  96.983  1   160.504 ? 512 C 1 c
ATOM 3756 H  HZ1  . LYS Cxp C 84  ? 16.122 45.233  95.362  1   164.273 ? 512 C 1 c
ATOM 3757 H  HZ2  . LYS Cxp C 84  ? 17.203 45.899  94.608  1   164.273 ? 512 C 1 c
ATOM 3758 H  HZ3  . LYS Cxp C 84  ? 15.871 46.529  94.7    1   164.273 ? 512 C 1 c
ATOM 3759 N  N    . THR Cxp C 85  ? 20.128 42.663  101.299 1   129.736 ? 513 C 1 .
ATOM 3760 C  CA   . THR Cxp C 85  ? 21.294 42.287  102.091 1   120.306 ? 513 C 1 .
ATOM 3761 C  C    . THR Cxp C 85  ? 21.65  40.822  101.856 1   103.541 ? 513 C 1 .
ATOM 3762 O  O    . THR Cxp C 85  ? 22.789 40.516  101.516 1   97.65   ? 513 C 1 .
ATOM 3763 C  CB   . THR Cxp C 85  ? 21.003 42.528  103.574 1   117.714 ? 513 C 1 .
ATOM 3764 O  OG1  . THR Cxp C 85  ? 20.639 43.888  103.82  1   102.15  ? 513 C 1 .
ATOM 3765 C  CG2  . THR Cxp C 85  ? 22.188 42.147  104.442 1   126.043 ? 513 C 1 .
ATOM 3766 H  H    . THR Cxp C 85  ? 19.411 43.024  101.735 1   126.123 ? 513 C 1 c
ATOM 3767 H  HA   . THR Cxp C 85  ? 22.052 42.85   101.821 1   118.173 ? 513 C 1 c
ATOM 3768 H  HB   . THR Cxp C 85  ? 20.248 41.949  103.838 1   116.132 ? 513 C 1 c
ATOM 3769 H  HG1  . THR Cxp C 85  ? 21.596 44.558  103.348 0   102.77  ? 513 C 1 c
ATOM 3770 H  HG21 . THR Cxp C 85  ? 22.178 42.676  105.257 1   123.314 ? 513 C 1 c
ATOM 3771 H  HG22 . THR Cxp C 85  ? 23.014 42.317  103.958 1   123.342 ? 513 C 1 c
ATOM 3772 H  HG23 . THR Cxp C 85  ? 22.135 41.203  104.669 1   123.354 ? 513 C 1 c
ATOM 3773 N  N    . ILE Cxp C 86  ? 20.662 39.938  102.045 1   94.668  ? 514 C 1 .
ATOM 3774 C  CA   . ILE Cxp C 86  ? 20.861 38.498  101.948 1   98.351  ? 514 C 1 .
ATOM 3775 C  C    . ILE Cxp C 86  ? 21.091 38.094  100.488 1   99.796  ? 514 C 1 .
ATOM 3776 O  O    . ILE Cxp C 86  ? 21.957 37.264  100.182 1   108.327 ? 514 C 1 .
ATOM 3777 C  CB   . ILE Cxp C 86  ? 19.686 37.716  102.576 1   89.883  ? 514 C 1 .
ATOM 3778 C  CG1  . ILE Cxp C 86  ? 19.763 37.679  104.088 1   84.433  ? 514 C 1 .
ATOM 3779 C  CG2  . ILE Cxp C 86  ? 19.609 36.294  102.025 1   95.646  ? 514 C 1 .
ATOM 3780 C  CD1  . ILE Cxp C 86  ? 19.256 38.936  104.765 1   93.462  ? 514 C 1 .
ATOM 3781 H  H    . ILE Cxp C 86  ? 19.826 40.248  102.243 1   97.953  ? 514 C 1 c
ATOM 3782 H  HA   . ILE Cxp C 86  ? 21.669 38.275  102.451 1   96.203  ? 514 C 1 c
ATOM 3783 H  HB   . ILE Cxp C 86  ? 18.858 38.176  102.331 1   91.413  ? 514 C 1 c
ATOM 3784 H  HG12 . ILE Cxp C 86  ? 20.694 37.533  104.352 1   87.799  ? 514 C 1 c
ATOM 3785 H  HG13 . ILE Cxp C 86  ? 19.239 36.917  104.412 1   87.781  ? 514 C 1 c
ATOM 3786 H  HG21 . ILE Cxp C 86  ? 18.929 35.794  102.508 1   93.952  ? 514 C 1 c
ATOM 3787 H  HG22 . ILE Cxp C 86  ? 20.467 35.854  102.135 1   94.473  ? 514 C 1 c
ATOM 3788 H  HG23 . ILE Cxp C 86  ? 19.376 36.318  101.082 1   94.062  ? 514 C 1 c
ATOM 3789 H  HD11 . ILE Cxp C 86  ? 19.893 39.662  104.626 1   90.719  ? 514 C 1 c
ATOM 3790 H  HD12 . ILE Cxp C 86  ? 19.155 38.772  105.721 1   90.702  ? 514 C 1 c
ATOM 3791 H  HD13 . ILE Cxp C 86  ? 18.392 39.187  104.387 1   90.708  ? 514 C 1 c
ATOM 3792 N  N    . THR Cxp C 87  ? 20.312 38.683  99.577  1   82.086  ? 515 C 1 .
ATOM 3793 C  CA   . THR Cxp C 87  ? 20.393 38.274  98.191  1   102.63  ? 515 C 1 .
ATOM 3794 C  C    . THR Cxp C 87  ? 21.756 38.636  97.62   1   106.018 ? 515 C 1 .
ATOM 3795 O  O    . THR Cxp C 87  ? 22.352 37.823  96.916  1   99.327  ? 515 C 1 .
ATOM 3796 C  CB   . THR Cxp C 87  ? 19.269 38.902  97.372  1   124.838 ? 515 C 1 .
ATOM 3797 O  OG1  . THR Cxp C 87  ? 19.315 40.321  97.432  1   135.87  ? 515 C 1 .
ATOM 3798 C  CG2  . THR Cxp C 87  ? 17.903 38.478  97.873  1   122.38  ? 515 C 1 .
ATOM 3799 H  H    . THR Cxp C 87  ? 19.732 39.347  99.82   1   91.087  ? 515 C 1 c
ATOM 3800 H  HA   . THR Cxp C 87  ? 20.29  37.297  98.154  1   102.466 ? 515 C 1 c
ATOM 3801 H  HB   . THR Cxp C 87  ? 19.359 38.617  96.431  1   122.005 ? 515 C 1 c
ATOM 3802 H  HG1  . THR Cxp C 87  ? 19.277 40.571  98.143  0   114.27  ? 515 C 1 c
ATOM 3803 H  HG21 . THR Cxp C 87  ? 17.219 39.015  97.439  1   122.885 ? 515 C 1 c
ATOM 3804 H  HG22 . THR Cxp C 87  ? 17.851 38.605  98.833  1   122.39  ? 515 C 1 c
ATOM 3805 H  HG23 . THR Cxp C 87  ? 17.758 37.54   97.663  1   122.924 ? 515 C 1 c
ATOM 3806 N  N    . LYS Cxp C 88  ? 22.184 39.883  97.876  1   122.342 ? 516 C 1 .
ATOM 3807 C  CA   . LYS Cxp C 88  ? 23.429 40.409  97.344  1   136.179 ? 516 C 1 .
ATOM 3808 C  C    . LYS Cxp C 88  ? 24.596 39.779  98.077  1   116.109 ? 516 C 1 .
ATOM 3809 O  O    . LYS Cxp C 88  ? 25.65  39.653  97.478  1   117.196 ? 516 C 1 .
ATOM 3810 C  CB   . LYS Cxp C 88  ? 23.497 41.935  97.388  1   173.499 ? 516 C 1 .
ATOM 3811 C  CG   . LYS Cxp C 88  ? 22.569 42.546  96.345  1   209.382 ? 516 C 1 .
ATOM 3812 C  CD   . LYS Cxp C 88  ? 22.273 44.037  96.416  1   225.61  ? 516 C 1 .
ATOM 3813 C  CE   . LYS Cxp C 88  ? 21.189 44.386  95.437  1   217.952 ? 516 C 1 .
ATOM 3814 N  NZ   . LYS Cxp C 88  ? 21.126 45.815  95.113  1   227.866 ? 516 C 1 .
ATOM 3815 H  H    . LYS Cxp C 88  ? 21.673 40.427  98.403  1   120.963 ? 516 C 1 c
ATOM 3816 H  HA   . LYS Cxp C 88  ? 23.487 40.139  96.392  1   135.261 ? 516 C 1 c
ATOM 3817 H  HB3  . LYS Cxp C 88  ? 24.416 42.229  97.209  1   171.044 ? 516 C 1 c
ATOM 3818 H  HB2  . LYS Cxp C 88  ? 23.239 42.255  98.278  1   171.23  ? 516 C 1 c
ATOM 3819 H  HG3  . LYS Cxp C 88  ? 21.714 42.065  96.391  1   203.054 ? 516 C 1 c
ATOM 3820 H  HG2  . LYS Cxp C 88  ? 22.95  42.354  95.461  1   203.893 ? 516 C 1 c
ATOM 3821 H  HD3  . LYS Cxp C 88  ? 23.085 44.546  96.201  1   220.083 ? 516 C 1 c
ATOM 3822 H  HD2  . LYS Cxp C 88  ? 21.982 44.274  97.324  1   220.083 ? 516 C 1 c
ATOM 3823 H  HE3  . LYS Cxp C 88  ? 20.33  44.112  95.804  1   221.97  ? 516 C 1 c
ATOM 3824 H  HE2  . LYS Cxp C 88  ? 21.331 43.889  94.611  1   221.814 ? 516 C 1 c
ATOM 3825 H  HZ1  . LYS Cxp C 88  ? 21.862 46.055  94.642  1   224.498 ? 516 C 1 c
ATOM 3826 H  HZ2  . LYS Cxp C 88  ? 21.092 46.301  95.878  1   224.055 ? 516 C 1 c
ATOM 3827 H  HZ3  . LYS Cxp C 88  ? 20.387 45.986  94.618  1   224.065 ? 516 C 1 c
ATOM 3828 N  N    . PHE Cxp C 89  ? 24.372 39.329  99.317  1   121.154 ? 517 C 1 .
ATOM 3829 C  CA   . PHE Cxp C 89  ? 25.376 38.586  100.074 1   126.465 ? 517 C 1 .
ATOM 3830 C  C    . PHE Cxp C 89  ? 25.649 37.215  99.451  1   127.821 ? 517 C 1 .
ATOM 3831 O  O    . PHE Cxp C 89  ? 26.761 36.96   98.994  1   156.369 ? 517 C 1 .
ATOM 3832 C  CB   . PHE Cxp C 89  ? 24.979 38.391  101.537 1   114.003 ? 517 C 1 .
ATOM 3833 C  CG   . PHE Cxp C 89  ? 25.981 37.609  102.377 1   135.073 ? 517 C 1 .
ATOM 3834 C  CD1  . PHE Cxp C 89  ? 27.363 37.79   102.241 1   128.595 ? 517 C 1 .
ATOM 3835 C  CD2  . PHE Cxp C 89  ? 25.525 36.698  103.327 1   145.982 ? 517 C 1 .
ATOM 3836 C  CE1  . PHE Cxp C 89  ? 28.253 37.065  103.025 1   126.043 ? 517 C 1 .
ATOM 3837 C  CE2  . PHE Cxp C 89  ? 26.416 35.99   104.123 1   135.95  ? 517 C 1 .
ATOM 3838 C  CZ   . PHE Cxp C 89  ? 27.776 36.173  103.969 1   134.777 ? 517 C 1 .
ATOM 3839 H  H    . PHE Cxp C 89  ? 23.568 39.502  99.716  1   121.07  ? 517 C 1 c
ATOM 3840 H  HA   . PHE Cxp C 89  ? 26.22  39.109  100.051 1   123.458 ? 517 C 1 c
ATOM 3841 H  HB3  . PHE Cxp C 89  ? 24.112 37.93   101.566 1   121.285 ? 517 C 1 c
ATOM 3842 H  HB2  . PHE Cxp C 89  ? 24.857 39.277  101.943 1   121.174 ? 517 C 1 c
ATOM 3843 H  HD1  . PHE Cxp C 89  ? 27.694 38.401  101.603 1   129.44  ? 517 C 1 c
ATOM 3844 H  HD2  . PHE Cxp C 89  ? 24.596 36.573  103.441 1   140.465 ? 517 C 1 c
ATOM 3845 H  HE1  . PHE Cxp C 89  ? 29.182 37.194  102.924 1   128.771 ? 517 C 1 c
ATOM 3846 H  HE2  . PHE Cxp C 89  ? 26.091 35.372  104.758 1   137.722 ? 517 C 1 c
ATOM 3847 H  HZ   . PHE Cxp C 89  ? 28.382 35.682  104.501 1   132.986 ? 517 C 1 c
ATOM 3848 N  N    . TYR Cxp C 90  ? 24.651 36.327  99.432  1   103.263 ? 518 C 1 .
ATOM 3849 C  CA   . TYR Cxp C 90  ? 24.844 35.004  98.857  1   106.735 ? 518 C 1 .
ATOM 3850 C  C    . TYR Cxp C 90  ? 25.049 35.08   97.339  1   131.687 ? 518 C 1 .
ATOM 3851 O  O    . TYR Cxp C 90  ? 25.807 34.288  96.776  1   136.087 ? 518 C 1 .
ATOM 3852 C  CB   . TYR Cxp C 90  ? 23.637 34.128  99.185  1   102.381 ? 518 C 1 .
ATOM 3853 C  CG   . TYR Cxp C 90  ? 23.54  33.783  100.658 1   115.085 ? 518 C 1 .
ATOM 3854 C  CD1  . TYR Cxp C 90  ? 24.121 32.624  101.152 1   121.601 ? 518 C 1 .
ATOM 3855 C  CD2  . TYR Cxp C 90  ? 22.867 34.603  101.556 1   139.385 ? 518 C 1 .
ATOM 3856 C  CE1  . TYR Cxp C 90  ? 24.041 32.294  102.495 1   112.965 ? 518 C 1 .
ATOM 3857 C  CE2  . TYR Cxp C 90  ? 22.779 34.285  102.903 1   125.827 ? 518 C 1 .
ATOM 3858 C  CZ   . TYR Cxp C 90  ? 23.367 33.127  103.368 1   109.962 ? 518 C 1 .
ATOM 3859 O  OH   . TYR Cxp C 90  ? 23.266 32.83   104.684 1   122.903 ? 518 C 1 .
ATOM 3860 H  H    . TYR Cxp C 90  ? 23.831 36.554  99.766  1   109.922 ? 518 C 1 c
ATOM 3861 H  HA   . TYR Cxp C 90  ? 25.652 34.596  99.268  1   109.649 ? 518 C 1 c
ATOM 3862 H  HB3  . TYR Cxp C 90  ? 23.704 33.298  98.666  1   106.417 ? 518 C 1 c
ATOM 3863 H  HB2  . TYR Cxp C 90  ? 22.82  34.6    98.91   1   106.227 ? 518 C 1 c
ATOM 3864 H  HD1  . TYR Cxp C 90  ? 24.583 32.05   100.562 1   118.007 ? 518 C 1 c
ATOM 3865 H  HD2  . TYR Cxp C 90  ? 22.464 35.395  101.245 1   128.98  ? 518 C 1 c
ATOM 3866 H  HE1  . TYR Cxp C 90  ? 24.441 31.503  102.812 1   114.422 ? 518 C 1 c
ATOM 3867 H  HE2  . TYR Cxp C 90  ? 22.319 34.853  103.497 1   124.678 ? 518 C 1 c
ATOM 3868 H  HH   . TYR Cxp C 90  ? 23.807 32.148  104.806 0   115.53  ? 518 C 1 c
ATOM 3869 N  N    . ASN Cxp C 91  ? 24.323 36.006  96.689  1   135.723 ? 519 C 1 .
ATOM 3870 C  CA   . ASN Cxp C 91  ? 24.294 36.185  95.245  1   122.093 ? 519 C 1 .
ATOM 3871 C  C    . ASN Cxp C 91  ? 24.234 34.829  94.549  1   119.646 ? 519 C 1 .
ATOM 3872 O  O    . ASN Cxp C 91  ? 25.07  34.533  93.694  1   100.73  ? 519 C 1 .
ATOM 3873 C  CB   . ASN Cxp C 91  ? 25.448 37.042  94.734  1   113.198 ? 519 C 1 .
ATOM 3874 C  CG   . ASN Cxp C 91  ? 25.174 37.603  93.346  1   132.337 ? 519 C 1 .
ATOM 3875 O  OD1  . ASN Cxp C 91  ? 24.137 38.236  93.095  1   107.954 ? 519 C 1 .
ATOM 3876 N  ND2  . ASN Cxp C 91  ? 26.09  37.392  92.41   1   145.445 ? 519 C 1 .
ATOM 3877 H  H    . ASN Cxp C 91  ? 23.802 36.564  97.191  1   130.976 ? 519 C 1 c
ATOM 3878 H  HA   . ASN Cxp C 91  ? 23.464 36.663  95.026  1   122.245 ? 519 C 1 c
ATOM 3879 H  HB3  . ASN Cxp C 91  ? 26.265 36.504  94.708  1   119.489 ? 519 C 1 c
ATOM 3880 H  HB2  . ASN Cxp C 91  ? 25.595 37.784  95.354  1   119.371 ? 519 C 1 c
ATOM 3881 H  HD21 . ASN Cxp C 91  ? 25.839 37.196  91.582  1   141.233 ? 519 C 1 c
ATOM 3882 H  HD22 . ASN Cxp C 91  ? 26.951 37.448  92.613  1   141.09  ? 519 C 1 c
ATOM 3883 N  N    . HIS Cxp C 92  ? 23.227 34.02   94.903  1   112.734 ? 520 C 1 .
ATOM 3884 C  CA   . HIS Cxp C 92  ? 23.093 32.711  94.294  1   128.67  ? 520 C 1 .
ATOM 3885 C  C    . HIS Cxp C 92  ? 22.831 32.858  92.8    1   115.533 ? 520 C 1 .
ATOM 3886 O  O    . HIS Cxp C 92  ? 22.049 33.705  92.394  1   99.357  ? 520 C 1 .
ATOM 3887 C  CB   . HIS Cxp C 92  ? 21.974 31.898  94.934  1   136.341 ? 520 C 1 .
ATOM 3888 C  CG   . HIS Cxp C 92  ? 22.311 31.342  96.271  1   137.239 ? 520 C 1 .
ATOM 3889 N  ND1  . HIS Cxp C 92  ? 21.781 31.85   97.437  1   120.356 ? 520 C 1 .
ATOM 3890 C  CD2  . HIS Cxp C 92  ? 23.053 30.3    96.623  1   149.624 ? 520 C 1 .
ATOM 3891 C  CE1  . HIS Cxp C 92  ? 22.205 31.147  98.464  1   119.072 ? 520 C 1 .
ATOM 3892 N  NE2  . HIS Cxp C 92  ? 22.988 30.202  97.991  1   160.337 ? 520 C 1 .
ATOM 3893 H  H    . HIS Cxp C 92  ? 22.618 34.288  95.53   1   118.159 ? 520 C 1 c
ATOM 3894 H  HA   . HIS Cxp C 92  ? 23.946 32.235  94.422  1   124.417 ? 520 C 1 c
ATOM 3895 H  HB3  . HIS Cxp C 92  ? 21.742 31.156  94.333  1   134.616 ? 520 C 1 c
ATOM 3896 H  HB2  . HIS Cxp C 92  ? 21.179 32.469  95.019  1   134.63  ? 520 C 1 c
ATOM 3897 H  HD1  . HIS Cxp C 92  ? 21.054 32.733  97.423  0   122.17  ? 520 C 1 c
ATOM 3898 H  HD2  . HIS Cxp C 92  ? 23.543 29.74   96.054  1   148.516 ? 520 C 1 c
ATOM 3899 H  HE1  . HIS Cxp C 92  ? 22.005 31.302  99.371  1   128.196 ? 520 C 1 c
ATOM 3900 H  HE2  . HIS Cxp C 92  ? 23.198 29.782  98.51   0   122.26  ? 520 C 1 c
ATOM 3901 N  N    . PRO Cxp C 93  ? 23.465 32.026  91.945  1   120.803 ? 521 C 1 .
ATOM 3902 C  CA   . PRO Cxp C 93  ? 23.279 32.114  90.504  1   125.75  ? 521 C 1 .
ATOM 3903 C  C    . PRO Cxp C 93  ? 21.839 31.888  90.069  1   119.239 ? 521 C 1 .
ATOM 3904 O  O    . PRO Cxp C 93  ? 21.087 31.206  90.756  1   138.249 ? 521 C 1 .
ATOM 3905 C  CB   . PRO Cxp C 93  ? 24.155 30.998  89.942  1   138.024 ? 521 C 1 .
ATOM 3906 C  CG   . PRO Cxp C 93  ? 25.156 30.768  91.054  1   156.93  ? 521 C 1 .
ATOM 3907 C  CD   . PRO Cxp C 93  ? 24.394 30.956  92.328  1   148.185 ? 521 C 1 .
ATOM 3908 H  HA   . PRO Cxp C 93  ? 23.593 32.985  90.183  1   125.597 ? 521 C 1 c
ATOM 3909 H  HB3  . PRO Cxp C 93  ? 24.6   31.281  89.12   1   139.135 ? 521 C 1 c
ATOM 3910 H  HB2  . PRO Cxp C 93  ? 23.631 30.192  89.768  1   139.035 ? 521 C 1 c
ATOM 3911 H  HG3  . PRO Cxp C 93  ? 25.891 31.411  90.998  1   150.456 ? 521 C 1 c
ATOM 3912 H  HG2  . PRO Cxp C 93  ? 25.525 29.864  91.007  1   150.456 ? 521 C 1 c
ATOM 3913 H  HD3  . PRO Cxp C 93  ? 23.912 30.146  92.585  1   143.078 ? 521 C 1 c
ATOM 3914 H  HD2  . PRO Cxp C 93  ? 24.981 31.236  93.055  1   142.889 ? 521 C 1 c
ATOM 3915 N  N    . LEU Cxp C 94  ? 21.491 32.453  88.912  1   109.068 ? 522 C 1 .
ATOM 3916 C  CA   . LEU Cxp C 94  ? 20.174 32.306  88.308  1   121.841 ? 522 C 1 .
ATOM 3917 C  C    . LEU Cxp C 94  ? 20.244 31.47   87.035  1   112.134 ? 522 C 1 .
ATOM 3918 O  O    . LEU Cxp C 94  ? 21.022 31.793  86.146  1   170.504 ? 522 C 1 .
ATOM 3919 C  CB   . LEU Cxp C 94  ? 19.726 33.72   87.961  1   129.591 ? 522 C 1 .
ATOM 3920 C  CG   . LEU Cxp C 94  ? 18.853 34.449  88.978  1   137.703 ? 522 C 1 .
ATOM 3921 C  CD1  . LEU Cxp C 94  ? 18.427 35.74   88.315  1   145.339 ? 522 C 1 .
ATOM 3922 C  CD2  . LEU Cxp C 94  ? 17.666 33.604  89.408  1   127.997 ? 522 C 1 .
ATOM 3923 H  H    . LEU Cxp C 94  ? 22.116 32.949  88.467  1   114.621 ? 522 C 1 c
ATOM 3924 H  HA   . LEU Cxp C 94  ? 19.551 31.895  88.958  1   118.841 ? 522 C 1 c
ATOM 3925 H  HB3  . LEU Cxp C 94  ? 19.235 33.68   87.109  1   129.512 ? 522 C 1 c
ATOM 3926 H  HB2  . LEU Cxp C 94  ? 20.529 34.266  87.798  1   129.287 ? 522 C 1 c
ATOM 3927 H  HG   . LEU Cxp C 94  ? 19.403 34.663  89.776  1   135.698 ? 522 C 1 c
ATOM 3928 H  HD11 . LEU Cxp C 94  ? 19.214 36.262  88.084  1   142.854 ? 522 C 1 c
ATOM 3929 H  HD12 . LEU Cxp C 94  ? 17.869 36.249  88.926  1   142.687 ? 522 C 1 c
ATOM 3930 H  HD13 . LEU Cxp C 94  ? 17.923 35.541  87.508  1   142.838 ? 522 C 1 c
ATOM 3931 H  HD21 . LEU Cxp C 94  ? 17.907 33.079  90.189  1   130.676 ? 522 C 1 c
ATOM 3932 H  HD22 . LEU Cxp C 94  ? 17.412 33.008  88.684  1   130.522 ? 522 C 1 c
ATOM 3933 H  HD23 . LEU Cxp C 94  ? 16.917 34.183  89.627  1   130.863 ? 522 C 1 c
ATOM 3934 N  N    . HIS Cxp C 95  ? 19.408 30.445  86.888  1   83.654  ? 523 C 1 .
ATOM 3935 C  CA   . HIS Cxp C 95  ? 19.506 29.63   85.689  1   105.178 ? 523 C 1 .
ATOM 3936 C  C    . HIS Cxp C 95  ? 18.323 29.923  84.771  1   104.807 ? 523 C 1 .
ATOM 3937 O  O    . HIS Cxp C 95  ? 17.192 30.053  85.235  1   112.578 ? 523 C 1 .
ATOM 3938 C  CB   . HIS Cxp C 95  ? 19.652 28.142  86.037  1   127.148 ? 523 C 1 .
ATOM 3939 C  CG   . HIS Cxp C 95  ? 19.887 27.217  84.872  1   128.189 ? 523 C 1 .
ATOM 3940 N  ND1  . HIS Cxp C 95  ? 19.615 25.86   84.905  1   103.469 ? 523 C 1 .
ATOM 3941 C  CD2  . HIS Cxp C 95  ? 20.376 27.464  83.654  1   138.272 ? 523 C 1 .
ATOM 3942 C  CE1  . HIS Cxp C 95  ? 19.926 25.321  83.737  1   129.829 ? 523 C 1 .
ATOM 3943 N  NE2  . HIS Cxp C 95  ? 20.387 26.281  82.964  1   150.472 ? 523 C 1 .
ATOM 3944 H  H    . HIS Cxp C 95  ? 18.781 30.251  87.523  1   94.614  ? 523 C 1 c
ATOM 3945 H  HA   . HIS Cxp C 95  ? 20.33  29.895  85.214  1   104.54  ? 523 C 1 c
ATOM 3946 H  HB3  . HIS Cxp C 95  ? 18.839 27.857  86.503  1   121.868 ? 523 C 1 c
ATOM 3947 H  HB2  . HIS Cxp C 95  ? 20.398 28.046  86.669  1   121.985 ? 523 C 1 c
ATOM 3948 H  HD1  . HIS Cxp C 95  ? 19.403 25.409  85.448  0   110.16  ? 523 C 1 c
ATOM 3949 H  HD2  . HIS Cxp C 95  ? 20.663 28.29   83.318  1   137.349 ? 523 C 1 c
ATOM 3950 H  HE1  . HIS Cxp C 95  ? 19.831 24.414  83.501  1   127.543 ? 523 C 1 c
ATOM 3951 H  HE2  . HIS Cxp C 95  ? 20.689 26.28   81.968  0   110.43  ? 523 C 1 c
ATOM 3952 N  N    . PHE Cxp C 96  ? 18.609 29.992  83.46   1   93.961  ? 524 C 1 .
ATOM 3953 C  CA   . PHE Cxp C 96  ? 17.614 30.268  82.431  1   97.315  ? 524 C 1 .
ATOM 3954 C  C    . PHE Cxp C 96  ? 17.583 29.177  81.37   1   100.866 ? 524 C 1 .
ATOM 3955 O  O    . PHE Cxp C 96  ? 18.536 28.412  81.221  1   130.525 ? 524 C 1 .
ATOM 3956 C  CB   . PHE Cxp C 96  ? 17.902 31.597  81.726  1   102.009 ? 524 C 1 .
ATOM 3957 C  CG   . PHE Cxp C 96  ? 17.451 32.793  82.552  1   125.318 ? 524 C 1 .
ATOM 3958 C  CD1  . PHE Cxp C 96  ? 18.143 33.173  83.701  1   132.595 ? 524 C 1 .
ATOM 3959 C  CD2  . PHE Cxp C 96  ? 16.313 33.512  82.199  1   125.608 ? 524 C 1 .
ATOM 3960 C  CE1  . PHE Cxp C 96  ? 17.713 34.246  84.465  1   122.803 ? 524 C 1 .
ATOM 3961 C  CE2  . PHE Cxp C 96  ? 15.89  34.584  82.97   1   122.104 ? 524 C 1 .
ATOM 3962 C  CZ   . PHE Cxp C 96  ? 16.587 34.946  84.1    1   114.973 ? 524 C 1 .
ATOM 3963 H  H    . PHE Cxp C 96  ? 19.478 29.893  83.197  1   97.897  ? 524 C 1 c
ATOM 3964 H  HA   . PHE Cxp C 96  ? 16.719 30.322  82.858  1   98.255  ? 524 C 1 c
ATOM 3965 H  HB3  . PHE Cxp C 96  ? 17.436 31.609  80.861  1   105.828 ? 524 C 1 c
ATOM 3966 H  HB2  . PHE Cxp C 96  ? 18.869 31.666  81.56   1   105.79  ? 524 C 1 c
ATOM 3967 H  HD1  . PHE Cxp C 96  ? 18.912 32.692  83.962  1   128.076 ? 524 C 1 c
ATOM 3968 H  HD2  . PHE Cxp C 96  ? 15.824 33.264  81.43   1   124.423 ? 524 C 1 c
ATOM 3969 H  HE1  . PHE Cxp C 96  ? 18.194 34.497  85.236  1   123.11  ? 524 C 1 c
ATOM 3970 H  HE2  . PHE Cxp C 96  ? 15.12  35.068  82.718  1   121.227 ? 524 C 1 c
ATOM 3971 H  HZ   . PHE Cxp C 96  ? 16.301 35.683  84.616  1   118.569 ? 524 C 1 c
ATOM 3972 N  N    . VAL Cxp C 97  ? 16.48  29.161  80.607  1   94.951  ? 525 C 1 .
ATOM 3973 C  CA   . VAL Cxp C 97  ? 16.218 28.13   79.62   1   85.754  ? 525 C 1 .
ATOM 3974 C  C    . VAL Cxp C 97  ? 15.071 28.559  78.718  1   86.985  ? 525 C 1 .
ATOM 3975 O  O    . VAL Cxp C 97  ? 14.176 29.281  79.137  1   89.751  ? 525 C 1 .
ATOM 3976 C  CB   . VAL Cxp C 97  ? 15.841 26.811  80.311  1   115.127 ? 525 C 1 .
ATOM 3977 C  CG1  . VAL Cxp C 97  ? 14.523 26.937  81.087  1   130.626 ? 525 C 1 .
ATOM 3978 C  CG2  . VAL Cxp C 97  ? 15.804 25.656  79.312  1   130.5   ? 525 C 1 .
ATOM 3979 H  H    . VAL Cxp C 97  ? 15.864 29.828  80.713  1   94.247  ? 525 C 1 c
ATOM 3980 H  HA   . VAL Cxp C 97  ? 17.021 27.995  79.08   1   92.994  ? 525 C 1 c
ATOM 3981 H  HB   . VAL Cxp C 97  ? 16.552 26.612  80.965  1   114.158 ? 525 C 1 c
ATOM 3982 H  HG11 . VAL Cxp C 97  ? 13.773 26.849  80.475  1   125.388 ? 525 C 1 c
ATOM 3983 H  HG12 . VAL Cxp C 97  ? 14.483 27.804  81.522  1   124.95  ? 525 C 1 c
ATOM 3984 H  HG13 . VAL Cxp C 97  ? 14.474 26.237  81.759  1   125.369 ? 525 C 1 c
ATOM 3985 H  HG21 . VAL Cxp C 97  ? 16.196 24.865  79.715  1   124.474 ? 525 C 1 c
ATOM 3986 H  HG22 . VAL Cxp C 97  ? 16.313 25.893  78.52   1   124.141 ? 525 C 1 c
ATOM 3987 H  HG23 . VAL Cxp C 97  ? 14.884 25.469  79.062  1   124.977 ? 525 C 1 c
ATOM 3988 N  N    . PHE Cxp C 98  ? 15.074 28.038  77.487  1   109.288 ? 526 C 1 .
ATOM 3989 C  CA   . PHE Cxp C 98  ? 14.047 28.327  76.5    1   106.62  ? 526 C 1 .
ATOM 3990 C  C    . PHE Cxp C 98  ? 12.9   27.331  76.623  1   99.061  ? 526 C 1 .
ATOM 3991 O  O    . PHE Cxp C 98  ? 13.098 26.168  76.977  1   89.668  ? 526 C 1 .
ATOM 3992 C  CB   . PHE Cxp C 98  ? 14.659 28.319  75.096  1   111.063 ? 526 C 1 .
ATOM 3993 C  CG   . PHE Cxp C 98  ? 15.757 29.368  74.963  1   135.156 ? 526 C 1 .
ATOM 3994 C  CD1  . PHE Cxp C 98  ? 15.447 30.725  74.912  1   132.706 ? 526 C 1 .
ATOM 3995 C  CD2  . PHE Cxp C 98  ? 17.101 29      74.933  1   160.86  ? 526 C 1 .
ATOM 3996 C  CE1  . PHE Cxp C 98  ? 16.452 31.675  74.831  1   140.764 ? 526 C 1 .
ATOM 3997 C  CE2  . PHE Cxp C 98  ? 18.102 29.96   74.85   1   162.865 ? 526 C 1 .
ATOM 3998 C  CZ   . PHE Cxp C 98  ? 17.777 31.295  74.802  1   144.442 ? 526 C 1 .
ATOM 3999 H  H    . PHE Cxp C 98  ? 15.762 27.488  77.244  1   103.071 ? 526 C 1 c
ATOM 4000 H  HA   . PHE Cxp C 98  ? 13.694 29.237  76.677  1   106.417 ? 526 C 1 c
ATOM 4001 H  HB3  . PHE Cxp C 98  ? 13.952 28.501  74.438  1   115.078 ? 526 C 1 c
ATOM 4002 H  HB2  . PHE Cxp C 98  ? 15.038 27.43   74.92   1   115.425 ? 526 C 1 c
ATOM 4003 H  HD1  . PHE Cxp C 98  ? 14.544 30.999  74.944  1   135.314 ? 526 C 1 c
ATOM 4004 H  HD2  . PHE Cxp C 98  ? 17.333 28.086  74.979  1   154.024 ? 526 C 1 c
ATOM 4005 H  HE1  . PHE Cxp C 98  ? 16.226 32.59   74.789  1   139.848 ? 526 C 1 c
ATOM 4006 H  HE2  . PHE Cxp C 98  ? 19.008 29.695  74.824  1   157.322 ? 526 C 1 c
ATOM 4007 H  HZ   . PHE Cxp C 98  ? 18.456 31.947  74.729  1   147.532 ? 526 C 1 c
ATOM 4008 N  N    . ASN Cxp C 99  ? 11.705 27.831  76.291  1   97.741  ? 527 C 1 .
ATOM 4009 C  CA   . ASN Cxp C 99  ? 10.445 27.124  76.463  1   109.701 ? 527 C 1 .
ATOM 4010 C  C    . ASN Cxp C 99  ? 10.418 25.808  75.683  1   110.415 ? 527 C 1 .
ATOM 4011 O  O    . ASN Cxp C 99  ? 9.732  24.875  76.091  1   108.96  ? 527 C 1 .
ATOM 4012 C  CB   . ASN Cxp C 99  ? 9.267  27.999  76.053  1   116.895 ? 527 C 1 .
ATOM 4013 C  CG   . ASN Cxp C 99  ? 9.411  28.506  74.638  1   133.486 ? 527 C 1 .
ATOM 4014 O  OD1  . ASN Cxp C 99  ? 10.525 28.632  74.121  1   150.892 ? 527 C 1 .
ATOM 4015 N  ND2  . ASN Cxp C 99  ? 8.303  28.841  74.006  1   150.839 ? 527 C 1 .
ATOM 4016 H  H    . ASN Cxp C 99  ? 11.678 28.673  75.937  1   101.026 ? 527 C 1 c
ATOM 4017 H  HA   . ASN Cxp C 99  ? 10.341 26.918  77.419  1   108.727 ? 527 C 1 c
ATOM 4018 H  HB3  . ASN Cxp C 99  ? 9.205  28.762  76.663  1   118.786 ? 527 C 1 c
ATOM 4019 H  HB2  . ASN Cxp C 99  ? 8.44   27.483  76.127  1   118.748 ? 527 C 1 c
ATOM 4020 H  HD21 . ASN Cxp C 99  ? 8.217  28.665  73.141  1   145.218 ? 527 C 1 c
ATOM 4021 H  HD22 . ASN Cxp C 99  ? 7.647  29.242  74.447  1   145.054 ? 527 C 1 c
ATOM 4022 N  N    . ASP Cxp C 100 ? 11.165 25.749  74.576  1   114.703 ? 528 C 1 .
ATOM 4023 C  CA   . ASP Cxp C 100 ? 11.167 24.612  73.673  1   115.02  ? 528 C 1 .
ATOM 4024 C  C    . ASP Cxp C 100 ? 12.034 23.482  74.222  1   115.013 ? 528 C 1 .
ATOM 4025 O  O    . ASP Cxp C 100 ? 12.033 22.39   73.657  1   136.051 ? 528 C 1 .
ATOM 4026 C  CB   . ASP Cxp C 100 ? 11.723 25.015  72.315  1   128.648 ? 528 C 1 .
ATOM 4027 C  CG   . ASP Cxp C 100 ? 13.177 25.479  72.326  1   134.211 ? 528 C 1 .
ATOM 4028 O  OD1  . ASP Cxp C 100 ? 13.555 26.144  73.308  1   104.029 ? 528 C 1 .
ATOM 4029 O  OD2  . ASP Cxp C 100 ? 13.911 25.202  71.345  1   150.672 ? 528 C 1 .
ATOM 4030 H  H    . ASP Cxp C 100 ? 11.69  26.467  74.365  1   113.692 ? 528 C 1 c
ATOM 4031 H  HA   . ASP Cxp C 100 ? 10.244 24.29   73.564  1   117.254 ? 528 C 1 c
ATOM 4032 H  HB3  . ASP Cxp C 100 ? 11.174 25.742  71.954  1   126.62  ? 528 C 1 c
ATOM 4033 H  HB2  . ASP Cxp C 100 ? 11.651 24.251  71.706  1   126.62  ? 528 C 1 c
ATOM 4034 N  N    . THR Cxp C 101 ? 12.786 23.751  75.301  1   97.54   ? 529 C 1 .
ATOM 4035 C  CA   . THR Cxp C 101 ? 13.792 22.813  75.766  1   92.13   ? 529 C 1 .
ATOM 4036 C  C    . THR Cxp C 101 ? 13.126 21.508  76.177  1   87.8    ? 529 C 1 .
ATOM 4037 O  O    . THR Cxp C 101 ? 12.181 21.502  76.96   1   90.456  ? 529 C 1 .
ATOM 4038 C  CB   . THR Cxp C 101 ? 14.586 23.389  76.93   1   91.202  ? 529 C 1 .
ATOM 4039 O  OG1  . THR Cxp C 101 ? 15.084 24.672  76.563  1   83.18   ? 529 C 1 .
ATOM 4040 C  CG2  . THR Cxp C 101 ? 15.7   22.437  77.322  1   93.851  ? 529 C 1 .
ATOM 4041 H  H    . THR Cxp C 101 ? 12.677 24.538  75.752  1   100.347 ? 529 C 1 c
ATOM 4042 H  HA   . THR Cxp C 101 ? 14.41  22.635  75.024  1   92.289  ? 529 C 1 c
ATOM 4043 H  HB   . THR Cxp C 101 ? 13.983 23.492  77.705  1   90.211  ? 529 C 1 c
ATOM 4044 H  HG1  . THR Cxp C 101 ? 15.708 24.525  75.741  0   99.54   ? 529 C 1 c
ATOM 4045 H  HG21 . THR Cxp C 101 ? 16.447 22.944  77.683  1   92.977  ? 529 C 1 c
ATOM 4046 H  HG22 . THR Cxp C 101 ? 15.995 21.939  76.542  1   93.001  ? 529 C 1 c
ATOM 4047 H  HG23 . THR Cxp C 101 ? 15.375 21.818  77.997  1   93.003  ? 529 C 1 c
ATOM 4048 N  N    . LYS Cxp C 102 ? 13.657 20.401  75.665  1   91.234  ? 530 C 1 .
ATOM 4049 C  CA   . LYS Cxp C 102 ? 13.117 19.101  76.008  1   108.767 ? 530 C 1 .
ATOM 4050 C  C    . LYS Cxp C 102 ? 13.515 18.787  77.446  1   98.319  ? 530 C 1 .
ATOM 4051 O  O    . LYS Cxp C 102 ? 14.522 19.283  77.946  1   91.545  ? 530 C 1 .
ATOM 4052 C  CB   . LYS Cxp C 102 ? 13.619 18.035  75.028  1   129.406 ? 530 C 1 .
ATOM 4053 C  CG   . LYS Cxp C 102 ? 13.312 18.299  73.558  1   131.795 ? 530 C 1 .
ATOM 4054 C  CD   . LYS Cxp C 102 ? 11.836 18.554  73.274  1   133.839 ? 530 C 1 .
ATOM 4055 C  CE   . LYS Cxp C 102 ? 11.525 18.611  71.81   1   138.114 ? 530 C 1 .
ATOM 4056 N  NZ   . LYS Cxp C 102 ? 11.572 17.293  71.171  1   147.644 ? 530 C 1 .
ATOM 4057 H  H    . LYS Cxp C 102 ? 14.372 20.453  75.097  1   94.647  ? 530 C 1 c
ATOM 4058 H  HA   . LYS Cxp C 102 ? 12.13  19.148  75.955  1   106.393 ? 530 C 1 c
ATOM 4059 H  HB3  . LYS Cxp C 102 ? 13.221 17.173  75.276  1   124.915 ? 530 C 1 c
ATOM 4060 H  HB2  . LYS Cxp C 102 ? 14.591 17.952  75.13   1   124.915 ? 530 C 1 c
ATOM 4061 H  HG3  . LYS Cxp C 102 ? 13.61  17.525  73.033  1   131.685 ? 530 C 1 c
ATOM 4062 H  HG2  . LYS Cxp C 102 ? 13.833 19.078  73.264  1   131.187 ? 530 C 1 c
ATOM 4063 H  HD3  . LYS Cxp C 102 ? 11.575 19.405  73.687  1   133.98  ? 530 C 1 c
ATOM 4064 H  HD2  . LYS Cxp C 102 ? 11.302 17.842  73.688  1   134.147 ? 530 C 1 c
ATOM 4065 H  HE3  . LYS Cxp C 102 ? 12.165 19.197  71.368  1   139.307 ? 530 C 1 c
ATOM 4066 H  HE2  . LYS Cxp C 102 ? 10.636 18.989  71.685  1   139.307 ? 530 C 1 c
ATOM 4067 H  HZ1  . LYS Cxp C 102 ? 11.122 16.688  71.674  1   144.48  ? 530 C 1 c
ATOM 4068 H  HZ2  . LYS Cxp C 102 ? 12.432 17.024  71.082  1   144.515 ? 530 C 1 c
ATOM 4069 H  HZ3  . LYS Cxp C 102 ? 11.19  17.338  70.351  1   144.587 ? 530 C 1 c
ATOM 4070 N  N    . LEU Cxp C 103 ? 12.732 17.922  78.084  1   88.45   ? 531 C 1 .
ATOM 4071 C  CA   . LEU Cxp C 103 ? 12.909 17.651  79.494  1   97.644  ? 531 C 1 .
ATOM 4072 C  C    . LEU Cxp C 103 ? 14.14  16.794  79.747  1   93.609  ? 531 C 1 .
ATOM 4073 O  O    . LEU Cxp C 103 ? 14.729 16.898  80.812  1   91.044  ? 531 C 1 .
ATOM 4074 C  CB   . LEU Cxp C 103 ? 11.666 16.976  80.061  1   114.656 ? 531 C 1 .
ATOM 4075 C  CG   . LEU Cxp C 103 ? 10.455 17.884  80.288  1   112.056 ? 531 C 1 .
ATOM 4076 C  CD1  . LEU Cxp C 103 ? 9.364  17.115  81.016  1   99.856  ? 531 C 1 .
ATOM 4077 C  CD2  . LEU Cxp C 103 ? 10.823 19.141  81.054  1   101.859 ? 531 C 1 .
ATOM 4078 H  H    . LEU Cxp C 103 ? 12.071 17.486  77.627  1   93.212  ? 531 C 1 c
ATOM 4079 H  HA   . LEU Cxp C 103 ? 13.042 18.517  79.955  1   98.061  ? 531 C 1 c
ATOM 4080 H  HB3  . LEU Cxp C 103 ? 11.906 16.562  80.921  1   109.809 ? 531 C 1 c
ATOM 4081 H  HB2  . LEU Cxp C 103 ? 11.401 16.253  79.448  1   109.772 ? 531 C 1 c
ATOM 4082 H  HG   . LEU Cxp C 103 ? 10.101 18.155  79.402  1   108.197 ? 531 C 1 c
ATOM 4083 H  HD11 . LEU Cxp C 103 ? 9.179  16.286  80.543  1   103.315 ? 531 C 1 c
ATOM 4084 H  HD12 . LEU Cxp C 103 ? 8.555  17.654  81.051  1   103.315 ? 531 C 1 c
ATOM 4085 H  HD13 . LEU Cxp C 103 ? 9.657  16.913  81.92   1   103.315 ? 531 C 1 c
ATOM 4086 H  HD21 . LEU Cxp C 103 ? 11.186 19.801  80.44   1   104.435 ? 531 C 1 c
ATOM 4087 H  HD22 . LEU Cxp C 103 ? 11.489 18.927  81.729  1   104.625 ? 531 C 1 c
ATOM 4088 H  HD23 . LEU Cxp C 103 ? 10.033 19.502  81.485  1   104.293 ? 531 C 1 c
ATOM 4089 N  N    . ASP Cxp C 104 ? 14.498 15.913  78.814  1   93.501  ? 532 C 1 .
ATOM 4090 C  CA   . ASP Cxp C 104 ? 15.643 15.044  79.033  1   109.583 ? 532 C 1 .
ATOM 4091 C  C    . ASP Cxp C 104 ? 16.905 15.898  79.089  1   104.461 ? 532 C 1 .
ATOM 4092 O  O    . ASP Cxp C 104 ? 17.816 15.649  79.882  1   97.289  ? 532 C 1 .
ATOM 4093 C  CB   . ASP Cxp C 104 ? 15.755 13.981  77.957  1   117.474 ? 532 C 1 .
ATOM 4094 C  CG   . ASP Cxp C 104 ? 15.721 14.503  76.529  1   117.31  ? 532 C 1 .
ATOM 4095 O  OD1  . ASP Cxp C 104 ? 15.627 15.729  76.349  1   121.252 ? 532 C 1 .
ATOM 4096 O  OD2  . ASP Cxp C 104 ? 15.767 13.676  75.607  1   114.832 ? 532 C 1 .
ATOM 4097 H  H    . ASP Cxp C 104 ? 14.019 15.841  78.039  1   97.098  ? 532 C 1 c
ATOM 4098 H  HA   . ASP Cxp C 104 ? 15.529 14.592  79.9    1   106.528 ? 532 C 1 c
ATOM 4099 H  HB3  . ASP Cxp C 104 ? 15.022 13.34   78.063  1   115.47  ? 532 C 1 c
ATOM 4100 H  HB2  . ASP Cxp C 104 ? 16.597 13.495  78.083  1   115.5   ? 532 C 1 c
ATOM 4101 N  N    . ALA Cxp C 105 ? 16.939 16.894  78.207  1   90.55   ? 533 C 1 .
ATOM 4102 C  CA   . ALA Cxp C 105 ? 18.033 17.832  78.15   1   102.855 ? 533 C 1 .
ATOM 4103 C  C    . ALA Cxp C 105 ? 18.043 18.654  79.428  1   93.271  ? 533 C 1 .
ATOM 4104 O  O    . ALA Cxp C 105 ? 19.1   19.003  79.944  1   104.908 ? 533 C 1 .
ATOM 4105 C  CB   . ALA Cxp C 105 ? 17.877 18.697  76.924  1   116.226 ? 533 C 1 .
ATOM 4106 H  H    . ALA Cxp C 105 ? 16.25  16.991  77.615  1   96.731  ? 533 C 1 c
ATOM 4107 H  HA   . ALA Cxp C 105 ? 18.888 17.322  78.092  1   100.778 ? 533 C 1 c
ATOM 4108 H  HB3  . ALA Cxp C 105 ? 18.605 19.339  76.882  1   112.05  ? 533 C 1 c
ATOM 4109 H  HB2  . ALA Cxp C 105 ? 17.031 19.174  76.966  1   111.957 ? 533 C 1 c
ATOM 4110 H  HB1  . ALA Cxp C 105 ? 17.893 18.141  76.127  1   112.05  ? 533 C 1 c
ATOM 4111 N  N    . MSE Cxp C 106 ? 16.847 18.961  79.923  1   96.706  ? 534 C 1 .
ATOM 4112 C  CA   . MSE Cxp C 106 ? 16.699 19.702  81.168  1   118.345 ? 534 C 1 .
ATOM 4113 C  C    . MSE Cxp C 106 ? 17.24  18.876  82.334  1   100.153 ? 534 C 1 .
ATOM 4114 O  O    . MSE Cxp C 106 ? 17.962 19.372  83.196  1   92.085  ? 534 C 1 .
ATOM 4115 C  CB   . MSE Cxp C 106 ? 15.229 20.078  81.407  1   122.298 ? 534 C 1 .
ATOM 4116 C  CG   . MSE Cxp C 106 ? 14.963 20.764  82.727  1   115.154 ? 534 C 1 .
ATOM 4117 SE SE   . MSE Cxp C 106 ? 16.3   22.163  83.021  1   123.056 ? 534 C 1 .
ATOM 4118 C  CE   . MSE Cxp C 106 ? 15.568 23.595  81.962  1   82.168  ? 534 C 1 .
ATOM 4119 H  H    . MSE Cxp C 106 ? 16.094 18.721  79.464  1   100.384 ? 534 C 1 c
ATOM 4120 H  HA   . MSE Cxp C 106 ? 17.232 20.526  81.095  1   110.909 ? 534 C 1 c
ATOM 4121 H  HB2  . MSE Cxp C 106 ? 14.7   19.288  81.37   1   119.326 ? 534 C 1 c
ATOM 4122 H  HB3  . MSE Cxp C 106 ? 14.941 20.657  80.705  1   119.621 ? 534 C 1 c
ATOM 4123 H  HG2  . MSE Cxp C 106 ? 15.003 20.112  83.46   1   118.093 ? 534 C 1 c
ATOM 4124 H  HG3  . MSE Cxp C 106 ? 14.067 21.164  82.72   1   118.174 ? 534 C 1 c
ATOM 4125 H  HE1  . MSE Cxp C 106 ? 16.187 24.342  81.959  1   90.594  ? 534 C 1 c
ATOM 4126 H  HE2  . MSE Cxp C 106 ? 14.721 23.877  82.343  1   90.423  ? 534 C 1 c
ATOM 4127 H  HE3  . MSE Cxp C 106 ? 15.429 23.284  81.055  1   90.544  ? 534 C 1 c
ATOM 4128 N  N    . LEU Cxp C 107 ? 16.874 17.6    82.352  1   95.166  ? 535 C 1 .
ATOM 4129 C  CA   . LEU Cxp C 107 ? 17.352 16.696  83.378  1   100.713 ? 535 C 1 .
ATOM 4130 C  C    . LEU Cxp C 107 ? 18.869 16.777  83.406  1   101.134 ? 535 C 1 .
ATOM 4131 O  O    . LEU Cxp C 107 ? 19.478 16.932  84.456  1   102.123 ? 535 C 1 .
ATOM 4132 C  CB   . LEU Cxp C 107 ? 16.896 15.284  83.013  1   112.203 ? 535 C 1 .
ATOM 4133 C  CG   . LEU Cxp C 107 ? 16.586 14.315  84.155  1   106.877 ? 535 C 1 .
ATOM 4134 C  CD1  . LEU Cxp C 107 ? 16.979 12.919  83.678  1   111.472 ? 535 C 1 .
ATOM 4135 C  CD2  . LEU Cxp C 107 ? 17.264 14.699  85.463  1   108.718 ? 535 C 1 .
ATOM 4136 H  H    . LEU Cxp C 107 ? 16.305 17.285  81.71   1   97.886  ? 535 C 1 c
ATOM 4137 H  HA   . LEU Cxp C 107 ? 16.977 16.968  84.252  1   101.717 ? 535 C 1 c
ATOM 4138 H  HB3  . LEU Cxp C 107 ? 17.589 14.876  82.444  1   108.166 ? 535 C 1 c
ATOM 4139 H  HB2  . LEU Cxp C 107 ? 16.089 15.358  82.455  1   107.973 ? 535 C 1 c
ATOM 4140 H  HG   . LEU Cxp C 107 ? 15.605 14.322  84.306  1   109.034 ? 535 C 1 c
ATOM 4141 H  HD11 . LEU Cxp C 107 ? 16.583 12.749  82.807  1   110.097 ? 535 C 1 c
ATOM 4142 H  HD12 . LEU Cxp C 107 ? 16.658 12.257  84.313  1   110.097 ? 535 C 1 c
ATOM 4143 H  HD13 . LEU Cxp C 107 ? 17.947 12.859  83.61   1   110.087 ? 535 C 1 c
ATOM 4144 H  HD21 . LEU Cxp C 107 ? 16.812 15.465  85.853  1   108.12  ? 535 C 1 c
ATOM 4145 H  HD22 . LEU Cxp C 107 ? 18.193 14.921  85.296  1   108.313 ? 535 C 1 c
ATOM 4146 H  HD23 . LEU Cxp C 107 ? 17.219 13.95   86.081  1   108.188 ? 535 C 1 c
ATOM 4147 N  N    . GLU Cxp C 108 ? 19.459 16.604  82.226  1   109.674 ? 536 C 1 .
ATOM 4148 C  CA   . GLU Cxp C 108 ? 20.899 16.6    82.074  1   114.844 ? 536 C 1 .
ATOM 4149 C  C    . GLU Cxp C 108 ? 21.487 17.913  82.589  1   98.285  ? 536 C 1 .
ATOM 4150 O  O    . GLU Cxp C 108 ? 22.51  17.919  83.264  1   90.741  ? 536 C 1 .
ATOM 4151 C  CB   . GLU Cxp C 108 ? 21.107 16.336  80.587  1   127.292 ? 536 C 1 .
ATOM 4152 C  CG   . GLU Cxp C 108 ? 22.549 16.036  80.194  1   152.243 ? 536 C 1 .
ATOM 4153 C  CD   . GLU Cxp C 108 ? 22.651 15.068  79.013  1   172.668 ? 536 C 1 .
ATOM 4154 O  OE1  . GLU Cxp C 108 ? 22.295 13.894  79.247  1   184.889 ? 536 C 1 .
ATOM 4155 O  OE2  . GLU Cxp C 108 ? 23.054 15.436  77.877  1   174.834 ? 536 C 1 .
ATOM 4156 H  H    . GLU Cxp C 108 ? 18.94  16.49   81.482  1   108.865 ? 536 C 1 c
ATOM 4157 H  HA   . GLU Cxp C 108 ? 21.271 15.849  82.601  1   112.714 ? 536 C 1 c
ATOM 4158 H  HB3  . GLU Cxp C 108 ? 20.805 17.118  80.083  1   129.421 ? 536 C 1 c
ATOM 4159 H  HB2  . GLU Cxp C 108 ? 20.548 15.576  80.321  1   129.668 ? 536 C 1 c
ATOM 4160 H  HG3  . GLU Cxp C 108 ? 23.02  15.647  80.961  1   150.177 ? 536 C 1 c
ATOM 4161 H  HG2  . GLU Cxp C 108 ? 23     16.874  79.954  1   150.359 ? 536 C 1 c
ATOM 4162 N  N    . GLU Cxp C 109 ? 20.832 19.028  82.264  1   92.355  ? 537 C 1 .
ATOM 4163 C  CA   . GLU Cxp C 109 ? 21.276 20.348  82.696  1   100.375 ? 537 C 1 .
ATOM 4164 C  C    . GLU Cxp C 109 ? 21.266 20.487  84.22   1   84.295  ? 537 C 1 .
ATOM 4165 O  O    . GLU Cxp C 109 ? 22.104 21.17   84.806  1   72.916  ? 537 C 1 .
ATOM 4166 C  CB   . GLU Cxp C 109 ? 20.4   21.45   82.087  1   113.758 ? 537 C 1 .
ATOM 4167 C  CG   . GLU Cxp C 109 ? 21.073 22.27   80.989  1   115.067 ? 537 C 1 .
ATOM 4168 C  CD   . GLU Cxp C 109 ? 22.325 22.995  81.469  1   128.849 ? 537 C 1 .
ATOM 4169 O  OE1  . GLU Cxp C 109 ? 22.296 23.667  82.53   1   121.543 ? 537 C 1 .
ATOM 4170 O  OE2  . GLU Cxp C 109 ? 23.365 22.859  80.786  1   129.79  ? 537 C 1 .
ATOM 4171 H  H    . GLU Cxp C 109 ? 20.083 18.966  81.743  1   95.981  ? 537 C 1 c
ATOM 4172 H  HA   . GLU Cxp C 109 ? 22.207 20.473  82.381  1   98.03   ? 537 C 1 c
ATOM 4173 H  HB3  . GLU Cxp C 109 ? 20.124 22.063  82.8    1   110.675 ? 537 C 1 c
ATOM 4174 H  HB2  . GLU Cxp C 109 ? 19.589 21.043  81.718  1   110.586 ? 537 C 1 c
ATOM 4175 H  HG3  . GLU Cxp C 109 ? 20.437 22.934  80.647  1   117.789 ? 537 C 1 c
ATOM 4176 H  HG2  . GLU Cxp C 109 ? 21.317 21.677  80.247  1   117.846 ? 537 C 1 c
ATOM 4177 N  N    . PHE Cxp C 110 ? 20.259 19.898  84.853  1   86.905  ? 538 C 1 .
ATOM 4178 C  CA   . PHE Cxp C 110 ? 20.084 20.038  86.286  1   95.435  ? 538 C 1 .
ATOM 4179 C  C    . PHE Cxp C 110 ? 21.045 19.141  87.067  1   108.207 ? 538 C 1 .
ATOM 4180 O  O    . PHE Cxp C 110 ? 21.461 19.504  88.164  1   117.177 ? 538 C 1 .
ATOM 4181 C  CB   . PHE Cxp C 110 ? 18.651 19.652  86.645  1   88.146  ? 538 C 1 .
ATOM 4182 C  CG   . PHE Cxp C 110 ? 17.609 20.754  86.562  1   75.032  ? 538 C 1 .
ATOM 4183 C  CD1  . PHE Cxp C 110 ? 17.965 22.086  86.667  1   75.961  ? 538 C 1 .
ATOM 4184 C  CD2  . PHE Cxp C 110 ? 16.26  20.432  86.432  1   66.995  ? 538 C 1 .
ATOM 4185 C  CE1  . PHE Cxp C 110 ? 16.988 23.063  86.647  1   95.495  ? 538 C 1 .
ATOM 4186 C  CE2  . PHE Cxp C 110 ? 15.287 21.405  86.42   1   64.02   ? 538 C 1 .
ATOM 4187 C  CZ   . PHE Cxp C 110 ? 15.65  22.72   86.523  1   83.762  ? 538 C 1 .
ATOM 4188 H  H    . PHE Cxp C 110 ? 19.659 19.397  84.38   1   88.271  ? 538 C 1 c
ATOM 4189 H  HA   . PHE Cxp C 110 ? 20.247 20.981  86.54   1   94.221  ? 538 C 1 c
ATOM 4190 H  HB3  . PHE Cxp C 110 ? 18.653 19.299  87.561  1   86.74   ? 538 C 1 c
ATOM 4191 H  HB2  . PHE Cxp C 110 ? 18.373 18.916  86.056  1   86.56   ? 538 C 1 c
ATOM 4192 H  HD1  . PHE Cxp C 110 ? 18.869 22.328  86.768  1   80.399  ? 538 C 1 c
ATOM 4193 H  HD2  . PHE Cxp C 110 ? 16.007 19.524  86.381  1   68.417  ? 538 C 1 c
ATOM 4194 H  HE1  . PHE Cxp C 110 ? 17.234 23.972  86.709  1   87.37   ? 538 C 1 c
ATOM 4195 H  HE2  . PHE Cxp C 110 ? 14.38  21.167  86.318  1   69.248  ? 538 C 1 c
ATOM 4196 H  HZ   . PHE Cxp C 110 ? 14.993 23.395  86.484  1   80.828  ? 538 C 1 c
ATOM 4197 N  N    . LYS Cxp C 111 ? 21.343 17.955  86.515  1   105.571 ? 539 C 1 .
ATOM 4198 C  CA   . LYS Cxp C 111 ? 22.18  16.962  87.168  1   106.711 ? 539 C 1 .
ATOM 4199 C  C    . LYS Cxp C 111 ? 23.574 17.546  87.345  1   111.197 ? 539 C 1 .
ATOM 4200 O  O    . LYS Cxp C 111 ? 24.293 17.179  88.268  1   146.613 ? 539 C 1 .
ATOM 4201 C  CB   . LYS Cxp C 111 ? 22.235 15.645  86.373  1   117.316 ? 539 C 1 .
ATOM 4202 C  CG   . LYS Cxp C 111 ? 20.981 14.763  86.403  1   119.922 ? 539 C 1 .
ATOM 4203 C  CD   . LYS Cxp C 111 ? 20.838 13.69   85.321  1   134.587 ? 539 C 1 .
ATOM 4204 C  CE   . LYS Cxp C 111 ? 21.536 12.371  85.581  1   148.033 ? 539 C 1 .
ATOM 4205 N  NZ   . LYS Cxp C 111 ? 20.939 11.178  84.946  1   138.014 ? 539 C 1 .
ATOM 4206 H  H    . LYS Cxp C 111 ? 21.001 17.756  85.692  1   106.349 ? 539 C 1 c
ATOM 4207 H  HA   . LYS Cxp C 111 ? 21.799 16.776  88.064  1   109.149 ? 539 C 1 c
ATOM 4208 H  HB3  . LYS Cxp C 111 ? 22.987 15.114  86.712  1   115.385 ? 539 C 1 c
ATOM 4209 H  HB2  . LYS Cxp C 111 ? 22.431 15.862  85.436  1   115.444 ? 539 C 1 c
ATOM 4210 H  HG3  . LYS Cxp C 111 ? 20.199 15.354  86.356  1   122.296 ? 539 C 1 c
ATOM 4211 H  HG2  . LYS Cxp C 111 ? 20.948 14.322  87.28   1   122.582 ? 539 C 1 c
ATOM 4212 H  HD3  . LYS Cxp C 111 ? 21.177 14.06   84.477  1   134.084 ? 539 C 1 c
ATOM 4213 H  HD2  . LYS Cxp C 111 ? 19.882 13.514  85.192  1   133.737 ? 539 C 1 c
ATOM 4214 H  HE3  . LYS Cxp C 111 ? 21.563 12.22   86.543  1   142.313 ? 539 C 1 c
ATOM 4215 H  HE2  . LYS Cxp C 111 ? 22.458 12.448  85.276  1   142.428 ? 539 C 1 c
ATOM 4216 H  HZ1  . LYS Cxp C 111 ? 20.198 11.407  84.479  1   141.087 ? 539 C 1 c
ATOM 4217 H  HZ2  . LYS Cxp C 111 ? 20.712 10.576  85.584  1   141.051 ? 539 C 1 c
ATOM 4218 H  HZ3  . LYS Cxp C 111 ? 21.539 10.8    84.383  1   141.051 ? 539 C 1 c
ATOM 4219 N  N    . LYS Cxp C 112 ? 23.962 18.449  86.449  1   101.21  ? 540 C 1 .
ATOM 4220 C  CA   . LYS Cxp C 112 ? 25.266 19.07   86.557  1   113.924 ? 540 C 1 .
ATOM 4221 C  C    . LYS Cxp C 112 ? 25.06  20.491  87.035  1   123.174 ? 540 C 1 .
ATOM 4222 O  O    . LYS Cxp C 112 ? 24.258 21.227  86.468  1   143.238 ? 540 C 1 .
ATOM 4223 C  CB   . LYS Cxp C 112 ? 26.019 19.113  85.227  1   124.34  ? 540 C 1 .
ATOM 4224 C  CG   . LYS Cxp C 112 ? 25.37  19.952  84.128  1   139.552 ? 540 C 1 .
ATOM 4225 C  CD   . LYS Cxp C 112 ? 26.144 19.903  82.817  1   149.067 ? 540 C 1 .
ATOM 4226 C  CE   . LYS Cxp C 112 ? 25.439 20.536  81.653  1   139.197 ? 540 C 1 .
ATOM 4227 N  NZ   . LYS Cxp C 112 ? 25.433 21.989  81.774  1   139.32  ? 540 C 1 .
ATOM 4228 H  H    . LYS Cxp C 112 ? 23.418 18.672  85.749  1   106.694 ? 540 C 1 c
ATOM 4229 H  HA   . LYS Cxp C 112 ? 25.806 18.575  87.223  1   115.16  ? 540 C 1 c
ATOM 4230 H  HB3  . LYS Cxp C 112 ? 26.117 18.195  84.896  1   125.148 ? 540 C 1 c
ATOM 4231 H  HB2  . LYS Cxp C 112 ? 26.92  19.465  85.391  1   125.148 ? 540 C 1 c
ATOM 4232 H  HG3  . LYS Cxp C 112 ? 25.315 20.884  84.428  1   137.855 ? 540 C 1 c
ATOM 4233 H  HG2  . LYS Cxp C 112 ? 24.457 19.625  83.976  1   137.423 ? 540 C 1 c
ATOM 4234 H  HD3  . LYS Cxp C 112 ? 26.332 18.964  82.6    1   144.535 ? 540 C 1 c
ATOM 4235 H  HD2  . LYS Cxp C 112 ? 27.008 20.353  82.947  1   144.507 ? 540 C 1 c
ATOM 4236 H  HE3  . LYS Cxp C 112 ? 24.52  20.215  81.613  1   141.411 ? 540 C 1 c
ATOM 4237 H  HE2  . LYS Cxp C 112 ? 25.886 20.287  80.824  1   141.411 ? 540 C 1 c
ATOM 4238 H  HZ1  . LYS Cxp C 112 ? 26.279 22.293  81.888  1   139.348 ? 540 C 1 c
ATOM 4239 H  HZ2  . LYS Cxp C 112 ? 24.929 22.237  82.485  1   139.234 ? 540 C 1 c
ATOM 4240 H  HZ3  . LYS Cxp C 112 ? 25.088 22.356  81.021  1   139.24  ? 540 C 1 c
ATOM 4241 N  N    . GLY Cxp C 113 ? 25.811 20.866  88.064  1   138.131 ? 541 C 1 .
ATOM 4242 C  CA   . GLY Cxp C 113 ? 25.733 22.22   88.561  1   139.99  ? 541 C 1 .
ATOM 4243 C  C    . GLY Cxp C 113 ? 24.642 22.308  89.613  1   129.833 ? 541 C 1 .
ATOM 4244 O  O    . GLY Cxp C 113 ? 23.916 21.345  89.861  1   93.621  ? 541 C 1 .
ATOM 4245 H  H    . GLY Cxp C 113 ? 26.38  20.273  88.464  1   134.467 ? 541 C 1 c
ATOM 4246 H  HA3  . GLY Cxp C 113 ? 25.538 22.838  87.819  1   137.173 ? 541 C 1 c
ATOM 4247 H  HA2  . GLY Cxp C 113 ? 26.601 22.474  88.956  1   137.211 ? 541 C 1 c
ATOM 4248 N  N    . LYS Cxp C 114 ? 24.582 23.49   90.217  1   146.745 ? 542 C 1 .
ATOM 4249 C  CA   . LYS Cxp C 114 ? 23.807 23.724  91.418  1   186.906 ? 542 C 1 .
ATOM 4250 C  C    . LYS Cxp C 114 ? 22.362 23.981  91.001  1   213.938 ? 542 C 1 .
ATOM 4251 O  O    . LYS Cxp C 114 ? 21.434 23.727  91.776  1   294.494 ? 542 C 1 .
ATOM 4252 C  CB   . LYS Cxp C 114 ? 24.434 24.89   92.199  1   198.664 ? 542 C 1 .
ATOM 4253 C  CG   . LYS Cxp C 114 ? 24.425 24.782  93.726  1   191.774 ? 542 C 1 .
ATOM 4254 C  CD   . LYS Cxp C 114 ? 23.071 24.828  94.434  1   171.628 ? 542 C 1 .
ATOM 4255 C  CE   . LYS Cxp C 114 ? 22.529 26.197  94.669  1   150.682 ? 542 C 1 .
ATOM 4256 N  NZ   . LYS Cxp C 114 ? 22.132 26.854  93.426  1   162.446 ? 542 C 1 .
ATOM 4257 H  H    . LYS Cxp C 114 ? 25.051 24.189  89.859  1   151.24  ? 542 C 1 c
ATOM 4258 H  HA   . LYS Cxp C 114 ? 23.838 22.907  91.978  1   183.634 ? 542 C 1 c
ATOM 4259 H  HB3  . LYS Cxp C 114 ? 23.966 25.714  91.947  1   193.839 ? 542 C 1 c
ATOM 4260 H  HB2  . LYS Cxp C 114 ? 25.366 24.986  91.91   1   193.567 ? 542 C 1 c
ATOM 4261 H  HG3  . LYS Cxp C 114 ? 24.982 25.509  94.081  1   188.28  ? 542 C 1 c
ATOM 4262 H  HG2  . LYS Cxp C 114 ? 24.87  23.941  93.969  1   188.451 ? 542 C 1 c
ATOM 4263 H  HD3  . LYS Cxp C 114 ? 23.16  24.374  95.3    1   170.859 ? 542 C 1 c
ATOM 4264 H  HD2  . LYS Cxp C 114 ? 22.422 24.317  93.906  1   171.408 ? 542 C 1 c
ATOM 4265 H  HE3  . LYS Cxp C 114 ? 23.206 26.74   95.111  1   158.211 ? 542 C 1 c
ATOM 4266 H  HE2  . LYS Cxp C 114 ? 21.755 26.14   95.257  1   158.037 ? 542 C 1 c
ATOM 4267 H  HZ1  . LYS Cxp C 114 ? 21.771 26.254  92.852  1   158.908 ? 542 C 1 c
ATOM 4268 H  HZ2  . LYS Cxp C 114 ? 22.857 27.237  93.041  1   158.979 ? 542 C 1 c
ATOM 4269 H  HZ3  . LYS Cxp C 114 ? 21.525 27.5    93.597  1   158.635 ? 542 C 1 c
ATOM 4270 N  N    . SER Cxp C 115 ? 22.185 24.434  89.748  1   164.028 ? 543 C 1 .
ATOM 4271 C  CA   . SER Cxp C 115 ? 20.873 24.815  89.263  1   127.669 ? 543 C 1 .
ATOM 4272 C  C    . SER Cxp C 115 ? 19.942 23.611  89.257  1   126.379 ? 543 C 1 .
ATOM 4273 O  O    . SER Cxp C 115 ? 20.176 22.668  88.495  1   126.276 ? 543 C 1 .
ATOM 4274 C  CB   . SER Cxp C 115 ? 20.952 25.394  87.924  1   120.15  ? 543 C 1 .
ATOM 4275 O  OG   . SER Cxp C 115 ? 19.654 25.818  87.532  0.1 121.212 ? 543 C 1 .
ATOM 4276 H  H    . SER Cxp C 115 ? 22.902 24.517  89.187  1   164.403 ? 543 C 1 c
ATOM 4277 H  HA   . SER Cxp C 115 ? 20.501 25.498  89.878  1   131.924 ? 543 C 1 c
ATOM 4278 H  HB3  . SER Cxp C 115 ? 21.287 24.728  87.295  1   122.158 ? 543 C 1 c
ATOM 4279 H  HB2  . SER Cxp C 115 ? 21.561 26.157  87.93   1   122.124 ? 543 C 1 c
ATOM 4280 H  HG   . SER Cxp C 115 ? 19.726 26.081  86.7    0   135.91  ? 543 C 1 c
ATOM 4281 N  N    . HIS Cxp C 116 ? 18.955 23.647  90.174  1   108.817 ? 544 C 1 .
ATOM 4282 C  CA   . HIS Cxp C 116 ? 17.851 22.699  90.208  1   106.427 ? 544 C 1 .
ATOM 4283 C  C    . HIS Cxp C 116 ? 16.561 23.473  89.968  1   89.064  ? 544 C 1 .
ATOM 4284 O  O    . HIS Cxp C 116 ? 15.445 22.959  90.082  1   77.688  ? 544 C 1 .
ATOM 4285 C  CB   . HIS Cxp C 116 ? 17.848 21.891  91.514  1   115.216 ? 544 C 1 .
ATOM 4286 C  CG   . HIS Cxp C 116 ? 18.935 20.89   91.593  1   120.315 ? 544 C 1 .
ATOM 4287 N  ND1  . HIS Cxp C 116 ? 19.811 20.613  90.561  1   135.17  ? 544 C 1 .
ATOM 4288 C  CD2  . HIS Cxp C 116 ? 19.295 20.12   92.611  1   142.624 ? 544 C 1 .
ATOM 4289 C  CE1  . HIS Cxp C 116 ? 20.666 19.682  90.951  1   142.961 ? 544 C 1 .
ATOM 4290 N  NE2  . HIS Cxp C 116 ? 20.37  19.366  92.193  1   178.055 ? 544 C 1 .
ATOM 4291 H  H    . HIS Cxp C 116 ? 18.998 24.28   90.832  1   112.209 ? 544 C 1 c
ATOM 4292 H  HA   . HIS Cxp C 116 ? 17.967 22.067  89.458  1   105.198 ? 544 C 1 c
ATOM 4293 H  HB3  . HIS Cxp C 116 ? 16.984 21.433  91.601  1   113.958 ? 544 C 1 c
ATOM 4294 H  HB2  . HIS Cxp C 116 ? 17.94  22.513  92.265  1   114.809 ? 544 C 1 c
ATOM 4295 H  HD1  . HIS Cxp C 116 ? 19.754 20.88   89.756  0   120.06  ? 544 C 1 c
ATOM 4296 H  HD2  . HIS Cxp C 116 ? 18.891 20.079  93.455  1   143.879 ? 544 C 1 c
ATOM 4297 H  HE1  . HIS Cxp C 116 ? 21.361 19.313  90.438  1   148.036 ? 544 C 1 c
ATOM 4298 H  HE2  . HIS Cxp C 116 ? 20.771 18.634  92.656  0   121.81  ? 544 C 1 c
ATOM 4299 N  N    . LEU Cxp C 117 ? 16.749 24.74   89.615  1   97.21   ? 545 C 1 .
ATOM 4300 C  CA   . LEU Cxp C 117 ? 15.64  25.614  89.283  1   106.929 ? 545 C 1 .
ATOM 4301 C  C    . LEU Cxp C 117 ? 16.007 26.416  88.039  1   100.288 ? 545 C 1 .
ATOM 4302 O  O    . LEU Cxp C 117 ? 17.104 26.959  87.953  1   101.833 ? 545 C 1 .
ATOM 4303 C  CB   . LEU Cxp C 117 ? 15.383 26.515  90.489  1   96.805  ? 545 C 1 .
ATOM 4304 C  CG   . LEU Cxp C 117 ? 14.082 27.319  90.465  1   85.902  ? 545 C 1 .
ATOM 4305 C  CD1  . LEU Cxp C 117 ? 13.553 27.589  91.869  1   88.376  ? 545 C 1 .
ATOM 4306 C  CD2  . LEU Cxp C 117 ? 14.3   28.616  89.744  1   93.596  ? 545 C 1 .
ATOM 4307 H  H    . LEU Cxp C 117 ? 17.596 25.079  89.569  1   97.753  ? 545 C 1 c
ATOM 4308 H  HA   . LEU Cxp C 117 ? 14.837 25.066  89.098  1   101.373 ? 545 C 1 c
ATOM 4309 H  HB3  . LEU Cxp C 117 ? 16.138 27.141  90.571  1   96.392  ? 545 C 1 c
ATOM 4310 H  HB2  . LEU Cxp C 117 ? 15.383 25.951  91.297  1   96.622  ? 545 C 1 c
ATOM 4311 H  HG   . LEU Cxp C 117 ? 13.4   26.797  89.969  1   89.789  ? 545 C 1 c
ATOM 4312 H  HD11 . LEU Cxp C 117 ? 13.407 26.745  92.329  1   87.705  ? 545 C 1 c
ATOM 4313 H  HD12 . LEU Cxp C 117 ? 12.714 28.075  91.813  1   87.678  ? 545 C 1 c
ATOM 4314 H  HD13 . LEU Cxp C 117 ? 14.201 28.118  92.364  1   87.66   ? 545 C 1 c
ATOM 4315 H  HD21 . LEU Cxp C 117 ? 14.344 28.454  88.787  1   91.252  ? 545 C 1 c
ATOM 4316 H  HD22 . LEU Cxp C 117 ? 15.133 29.021  90.041  1   91.295  ? 545 C 1 c
ATOM 4317 H  HD23 . LEU Cxp C 117 ? 13.563 29.221  89.933  1   91.206  ? 545 C 1 c
ATOM 4318 N  N    . ALA Cxp C 118 ? 15.085 26.479  87.081  1   86.265  ? 546 C 1 .
ATOM 4319 C  CA   . ALA Cxp C 118 ? 15.35  27.203  85.855  1   92.907  ? 546 C 1 .
ATOM 4320 C  C    . ALA Cxp C 118 ? 14.176 28.118  85.54   1   93.628  ? 546 C 1 .
ATOM 4321 O  O    . ALA Cxp C 118 ? 13.018 27.805  85.85   1   86.455  ? 546 C 1 .
ATOM 4322 C  CB   . ALA Cxp C 118 ? 15.631 26.249  84.704  1   100.701 ? 546 C 1 .
ATOM 4323 H  H    . ALA Cxp C 118 ? 14.277 26.067  87.191  1   91.128  ? 546 C 1 c
ATOM 4324 H  HA   . ALA Cxp C 118 ? 16.153 27.773  85.999  1   93.268  ? 546 C 1 c
ATOM 4325 H  HB3  . ALA Cxp C 118 ? 15.774 26.756  83.887  1   98.32   ? 546 C 1 c
ATOM 4326 H  HB2  . ALA Cxp C 118 ? 14.875 25.651  84.583  1   98.267  ? 546 C 1 c
ATOM 4327 H  HB1  . ALA Cxp C 118 ? 16.427 25.726  84.901  1   98.32   ? 546 C 1 c
ATOM 4328 N  N    . ILE Cxp C 119 ? 14.527 29.248  84.915  1   93.579  ? 547 C 1 .
ATOM 4329 C  CA   . ILE Cxp C 119 ? 13.551 30.24   84.503  1   103.605 ? 547 C 1 .
ATOM 4330 C  C    . ILE Cxp C 119 ? 13.285 30.133  83.006  1   88.497  ? 547 C 1 .
ATOM 4331 O  O    . ILE Cxp C 119 ? 14.177 30.245  82.181  1   81.716  ? 547 C 1 .
ATOM 4332 C  CB   . ILE Cxp C 119 ? 14.015 31.645  84.886  1   98.032  ? 547 C 1 .
ATOM 4333 C  CG1  . ILE Cxp C 119 ? 14.262 31.738  86.384  1   94.895  ? 547 C 1 .
ATOM 4334 C  CG2  . ILE Cxp C 119 ? 12.988 32.655  84.391  1   96.24   ? 547 C 1 .
ATOM 4335 C  CD1  . ILE Cxp C 119 ? 15.17  32.878  86.785  1   103.16  ? 547 C 1 .
ATOM 4336 H  H    . ILE Cxp C 119 ? 15.41  29.405  84.736  1   95.73   ? 547 C 1 c
ATOM 4337 H  HA   . ILE Cxp C 119 ? 12.717 30.061  84.978  1   97.373  ? 547 C 1 c
ATOM 4338 H  HB   . ILE Cxp C 119 ? 14.861 31.82   84.428  1   98.107  ? 547 C 1 c
ATOM 4339 H  HG12 . ILE Cxp C 119 ? 14.659 30.898  86.694  1   97.465  ? 547 C 1 c
ATOM 4340 H  HG13 . ILE Cxp C 119 ? 13.402 31.846  86.838  1   97.457  ? 547 C 1 c
ATOM 4341 H  HG21 . ILE Cxp C 119 ? 13.11  33.497  84.859  1   97.02   ? 547 C 1 c
ATOM 4342 H  HG22 . ILE Cxp C 119 ? 12.091 32.32   84.56   1   96.82   ? 547 C 1 c
ATOM 4343 H  HG23 . ILE Cxp C 119 ? 13.104 32.801  83.437  1   96.782  ? 547 C 1 c
ATOM 4344 H  HD11 . ILE Cxp C 119 ? 16.054 32.746  86.393  1   100.677 ? 547 C 1 c
ATOM 4345 H  HD12 . ILE Cxp C 119 ? 15.248 32.906  87.757  1   100.816 ? 547 C 1 c
ATOM 4346 H  HD13 . ILE Cxp C 119 ? 14.798 33.722  86.466  1   100.658 ? 547 C 1 c
ATOM 4347 N  N    . VAL Cxp C 120 ? 12.019 29.911  82.678  1   81.651  ? 548 C 1 .
ATOM 4348 C  CA   . VAL Cxp C 120 ? 11.631 29.607  81.322  1   93.636  ? 548 C 1 .
ATOM 4349 C  C    . VAL Cxp C 120 ? 11.347 30.931  80.628  1   117.69  ? 548 C 1 .
ATOM 4350 O  O    . VAL Cxp C 120 ? 10.721 31.795  81.236  1   132.7   ? 548 C 1 .
ATOM 4351 C  CB   . VAL Cxp C 120 ? 10.391 28.695  81.304  1   105.578 ? 548 C 1 .
ATOM 4352 C  CG1  . VAL Cxp C 120 ? 9.937  28.415  79.876  1   125.926 ? 548 C 1 .
ATOM 4353 C  CG2  . VAL Cxp C 120 ? 10.618 27.397  82.072  1   100.475 ? 548 C 1 .
ATOM 4354 H  H    . VAL Cxp C 120 ? 11.371 29.954  83.321  1   86.188  ? 548 C 1 c
ATOM 4355 H  HA   . VAL Cxp C 120 ? 12.367 29.154  80.87   1   97.184  ? 548 C 1 c
ATOM 4356 H  HB   . VAL Cxp C 120 ? 9.665  29.186  81.757  1   105.733 ? 548 C 1 c
ATOM 4357 H  HG11 . VAL Cxp C 120 ? 10.714 28.355  79.294  1   119.236 ? 548 C 1 c
ATOM 4358 H  HG12 . VAL Cxp C 120 ? 9.36   29.135  79.571  1   119.419 ? 548 C 1 c
ATOM 4359 H  HG13 . VAL Cxp C 120 ? 9.448  27.575  79.847  1   119.228 ? 548 C 1 c
ATOM 4360 H  HG21 . VAL Cxp C 120 ? 9.835  26.827  81.988  1   102.037 ? 548 C 1 c
ATOM 4361 H  HG22 . VAL Cxp C 120 ? 10.772 27.596  83.011  1   101.852 ? 548 C 1 c
ATOM 4362 H  HG23 . VAL Cxp C 120 ? 11.393 26.936  81.708  1   101.948 ? 548 C 1 c
ATOM 4363 N  N    . GLN Cxp C 121 ? 11.778 31.064  79.359  1   139.557 ? 549 C 1 .
ATOM 4364 C  CA   . GLN Cxp C 121 ? 11.578 32.293  78.595  1   130.432 ? 549 C 1 .
ATOM 4365 C  C    . GLN Cxp C 121 ? 11.479 32.024  77.089  1   135.899 ? 549 C 1 .
ATOM 4366 O  O    . GLN Cxp C 121 ? 11.941 30.996  76.616  1   132.82  ? 549 C 1 .
ATOM 4367 C  CB   . GLN Cxp C 121 ? 12.689 33.294  78.916  1   115.747 ? 549 C 1 .
ATOM 4368 C  CG   . GLN Cxp C 121 ? 14.071 32.939  78.383  1   115.976 ? 549 C 1 .
ATOM 4369 C  CD   . GLN Cxp C 121 ? 15.106 33.989  78.725  1   136.52  ? 549 C 1 .
ATOM 4370 O  OE1  . GLN Cxp C 121 ? 14.84  34.96   79.443  1   161.68  ? 549 C 1 .
ATOM 4371 N  NE2  . GLN Cxp C 121 ? 16.311 33.8    78.213  1   158.896 ? 549 C 1 .
ATOM 4372 H  H    . GLN Cxp C 121 ? 12.209 30.365  78.959  1   131.351 ? 549 C 1 c
ATOM 4373 H  HA   . GLN Cxp C 121 ? 10.722 32.691  78.887  1   130.417 ? 549 C 1 c
ATOM 4374 H  HB3  . GLN Cxp C 121 ? 12.744 33.389  79.89   1   119.223 ? 549 C 1 c
ATOM 4375 H  HB2  . GLN Cxp C 121 ? 12.429 34.166  78.552  1   119.224 ? 549 C 1 c
ATOM 4376 H  HG3  . GLN Cxp C 121 ? 14.03  32.842  77.408  1   120.434 ? 549 C 1 c
ATOM 4377 H  HG2  . GLN Cxp C 121 ? 14.353 32.078  78.76   1   120.367 ? 549 C 1 c
ATOM 4378 H  HE21 . GLN Cxp C 121 ? 17.024 34.119  78.634  1   151.57  ? 549 C 1 c
ATOM 4379 H  HE22 . GLN Cxp C 121 ? 16.405 33.355  77.451  1   151.35  ? 549 C 1 c
ATOM 4380 N  N    . ARG Cxp C 122 ? 10.889 32.974  76.341  1   141.777 ? 550 C 1 .
ATOM 4381 C  CA   . ARG Cxp C 122 ? 10.685 32.848  74.901  1   143.951 ? 550 C 1 .
ATOM 4382 C  C    . ARG Cxp C 122 ? 11.059 34.154  74.186  1   164.106 ? 550 C 1 .
ATOM 4383 O  O    . ARG Cxp C 122 ? 11.11  35.227  74.789  1   128.576 ? 550 C 1 .
ATOM 4384 C  CB   . ARG Cxp C 122 ? 9.239  32.453  74.558  1   136.263 ? 550 C 1 .
ATOM 4385 C  CG   . ARG Cxp C 122 ? 8.16   33.531  74.646  1   144.535 ? 550 C 1 .
ATOM 4386 C  CD   . ARG Cxp C 122 ? 6.879  33.224  73.844  1   138.212 ? 550 C 1 .
ATOM 4387 N  NE   . ARG Cxp C 122 ? 6.141  34.47   73.585  1   175.78  ? 550 C 1 .
ATOM 4388 C  CZ   . ARG Cxp C 122 ? 6.119  35.215  72.455  1   195.634 ? 550 C 1 .
ATOM 4389 N  NH1  . ARG Cxp C 122 ? 6.841  34.906  71.396  1   203.198 ? 550 C 1 .
ATOM 4390 N  NH2  . ARG Cxp C 122 ? 5.375  36.302  72.38   1   203.188 ? 550 C 1 .
ATOM 4391 H  H    . ARG Cxp C 122 ? 10.601 33.738  76.753  1   140.815 ? 550 C 1 c
ATOM 4392 H  HA   . ARG Cxp C 122 ? 11.284 32.134  74.566  1   145.571 ? 550 C 1 c
ATOM 4393 H  HB3  . ARG Cxp C 122 ? 8.981  31.718  75.155  1   139.86  ? 550 C 1 c
ATOM 4394 H  HB2  . ARG Cxp C 122 ? 9.237  32.095  73.645  1   139.903 ? 550 C 1 c
ATOM 4395 H  HG3  . ARG Cxp C 122 ? 8.531  34.382  74.326  1   141.277 ? 550 C 1 c
ATOM 4396 H  HG2  . ARG Cxp C 122 ? 7.917  33.658  75.589  1   141.081 ? 550 C 1 c
ATOM 4397 H  HD3  . ARG Cxp C 122 ? 6.311  32.608  74.351  1   147.806 ? 550 C 1 c
ATOM 4398 H  HD2  . ARG Cxp C 122 ? 7.111  32.799  72.994  1   147.96  ? 550 C 1 c
ATOM 4399 H  HE   . ARG Cxp C 122 ? 5.653  34.771  74.241  1   170.854 ? 550 C 1 c
ATOM 4400 H  HH11 . ARG Cxp C 122 ? 7.677  34.638  71.497  1   200.208 ? 550 C 1 c
ATOM 4401 H  HH12 . ARG Cxp C 122 ? 6.485  34.967  70.59   1   200.708 ? 550 C 1 c
ATOM 4402 H  HH21 . ARG Cxp C 122 ? 4.699  36.415  72.939  1   200.442 ? 550 C 1 c
ATOM 4403 H  HH22 . ARG Cxp C 122 ? 5.554  36.911  71.77   1   200.284 ? 550 C 1 c
ATOM 4404 N  N    . VAL Cxp C 123 ? 11.273 34.05   72.867  1   178.597 ? 551 C 1 .
ATOM 4405 C  CA   . VAL Cxp C 123 ? 11.622 35.183  72.021  1   169.64  ? 551 C 1 .
ATOM 4406 C  C    . VAL Cxp C 123 ? 10.337 35.805  71.476  1   165.365 ? 551 C 1 .
ATOM 4407 O  O    . VAL Cxp C 123 ? 9.565  35.118  70.821  1   164.082 ? 551 C 1 .
ATOM 4408 C  CB   . VAL Cxp C 123 ? 12.523 34.74   70.851  1   177.743 ? 551 C 1 .
ATOM 4409 C  CG1  . VAL Cxp C 123 ? 13.331 35.909  70.297  1   199.384 ? 551 C 1 .
ATOM 4410 C  CG2  . VAL Cxp C 123 ? 13.44  33.581  71.223  1   177.937 ? 551 C 1 .
ATOM 4411 H  H    . VAL Cxp C 123 ? 11.174 33.231  72.474  1   172.668 ? 551 C 1 c
ATOM 4412 H  HA   . VAL Cxp C 123 ? 12.1   35.844  72.556  1   171.581 ? 551 C 1 c
ATOM 4413 H  HB   . VAL Cxp C 123 ? 11.929 34.424  70.13   1   179.903 ? 551 C 1 c
ATOM 4414 H  HG11 . VAL Cxp C 123 ? 13.964 36.213  70.969  1   192.691 ? 551 C 1 c
ATOM 4415 H  HG12 . VAL Cxp C 123 ? 12.731 36.638  70.064  1   192.588 ? 551 C 1 c
ATOM 4416 H  HG13 . VAL Cxp C 123 ? 13.814 35.623  69.504  1   192.612 ? 551 C 1 c
ATOM 4417 H  HG21 . VAL Cxp C 123 ? 14.197 33.557  70.614  1   178.092 ? 551 C 1 c
ATOM 4418 H  HG22 . VAL Cxp C 123 ? 12.95  32.744  71.159  1   177.897 ? 551 C 1 c
ATOM 4419 H  HG23 . VAL Cxp C 123 ? 13.762 33.698  72.133  1   177.928 ? 551 C 1 c
ATOM 4420 N  N    . ASN Cxp C 124 ? 10.117 37.104  71.707  1   167.894 ? 552 C 1 .
ATOM 4421 C  CA   . ASN Cxp C 124 ? 8.937  37.772  71.172  1   175.088 ? 552 C 1 .
ATOM 4422 C  C    . ASN Cxp C 124 ? 9.231  38.381  69.8    1   189.467 ? 552 C 1 .
ATOM 4423 O  O    . ASN Cxp C 124 ? 9.764  39.484  69.706  1   173.535 ? 552 C 1 .
ATOM 4424 C  CB   . ASN Cxp C 124 ? 8.415  38.841  72.121  1   168.07  ? 552 C 1 .
ATOM 4425 C  CG   . ASN Cxp C 124 ? 7.074  39.395  71.691  1   178.459 ? 552 C 1 .
ATOM 4426 O  OD1  . ASN Cxp C 124 ? 6.946  40.018  70.628  1   191.864 ? 552 C 1 .
ATOM 4427 N  ND2  . ASN Cxp C 124 ? 6.065  39.224  72.531  1   171.634 ? 552 C 1 .
ATOM 4428 H  H    . ASN Cxp C 124 ? 10.712 37.585  72.207  1   168.893 ? 552 C 1 c
ATOM 4429 H  HA   . ASN Cxp C 124 ? 8.224  37.103  71.069  1   175.179 ? 552 C 1 c
ATOM 4430 H  HB3  . ASN Cxp C 124 ? 9.063  39.572  72.166  1   172.172 ? 552 C 1 c
ATOM 4431 H  HB2  . ASN Cxp C 124 ? 8.333  38.458  73.017  1   172.035 ? 552 C 1 c
ATOM 4432 H  HD21 . ASN Cxp C 124 ? 5.276  39.585  72.349  1   173.863 ? 552 C 1 c
ATOM 4433 H  HD22 . ASN Cxp C 124 ? 6.173  38.751  73.273  1   173.845 ? 552 C 1 c
ATOM 4434 N  N    . ASN Cxp C 125 ? 8.833  37.671  68.736  1   203.464 ? 553 C 1 .
ATOM 4435 C  CA   . ASN Cxp C 125 ? 8.991  38.164  67.375  1   195.125 ? 553 C 1 .
ATOM 4436 C  C    . ASN Cxp C 125 ? 7.812  39.041  66.953  1   194.983 ? 553 C 1 .
ATOM 4437 O  O    . ASN Cxp C 125 ? 7.735  39.426  65.792  1   183.676 ? 553 C 1 .
ATOM 4438 C  CB   . ASN Cxp C 125 ? 9.152  37.027  66.369  1   180.444 ? 553 C 1 .
ATOM 4439 C  CG   . ASN Cxp C 125 ? 10.502 36.355  66.456  1   188.531 ? 553 C 1 .
ATOM 4440 O  OD1  . ASN Cxp C 125 ? 11.525 37.01   66.704  1   173.639 ? 553 C 1 .
ATOM 4441 N  ND2  . ASN Cxp C 125 ? 10.524 35.045  66.258  1   187.365 ? 553 C 1 .
ATOM 4442 H  H    . ASN Cxp C 125 ? 8.453  36.849  68.863  1   197.574 ? 553 C 1 c
ATOM 4443 H  HA   . ASN Cxp C 125 ? 9.808  38.709  67.337  1   193.569 ? 553 C 1 c
ATOM 4444 H  HB3  . ASN Cxp C 125 ? 9.033  37.378  65.464  1   185.589 ? 553 C 1 c
ATOM 4445 H  HB2  . ASN Cxp C 125 ? 8.454  36.361  66.527  1   185.628 ? 553 C 1 c
ATOM 4446 H  HD21 . ASN Cxp C 125 ? 11.065 34.533  66.74   1   187.711 ? 553 C 1 c
ATOM 4447 H  HD22 . ASN Cxp C 125 ? 9.997  34.681  65.644  1   187.673 ? 553 C 1 c
ATOM 4448 N  N    . GLU Cxp C 126 ? 6.909  39.376  67.886  1   204.951 ? 554 C 1 .
ATOM 4449 C  CA   . GLU Cxp C 126 ? 5.747  40.194  67.569  1   191.976 ? 554 C 1 .
ATOM 4450 C  C    . GLU Cxp C 126 ? 6.099  41.67   67.771  1   206.198 ? 554 C 1 .
ATOM 4451 O  O    . GLU Cxp C 126 ? 5.236  42.462  68.149  1   187.952 ? 554 C 1 .
ATOM 4452 C  CB   . GLU Cxp C 126 ? 4.512  39.771  68.371  1   173.61  ? 554 C 1 .
ATOM 4453 C  CG   . GLU Cxp C 126 ? 4.184  38.282  68.252  1   172.335 ? 554 C 1 .
ATOM 4454 C  CD   . GLU Cxp C 126 ? 4.973  37.373  69.193  1   177.988 ? 554 C 1 .
ATOM 4455 O  OE1  . GLU Cxp C 126 ? 4.575  37.242  70.366  1   181.601 ? 554 C 1 .
ATOM 4456 O  OE2  . GLU Cxp C 126 ? 6.012  36.82   68.769  1   155.333 ? 554 C 1 .
ATOM 4457 H  H    . GLU Cxp C 126 ? 7.023  39.096  68.747  1   199.366 ? 554 C 1 c
ATOM 4458 H  HA   . GLU Cxp C 126 ? 5.531  40.062  66.611  1   193.322 ? 554 C 1 c
ATOM 4459 H  HB3  . GLU Cxp C 126 ? 3.74   40.288  68.059  1   177.389 ? 554 C 1 c
ATOM 4460 H  HB2  . GLU Cxp C 126 ? 4.656  39.992  69.315  1   177.409 ? 554 C 1 c
ATOM 4461 H  HG3  . GLU Cxp C 126 ? 4.353  37.994  67.33   1   173.901 ? 554 C 1 c
ATOM 4462 H  HG2  . GLU Cxp C 126 ? 3.228  38.153  68.428  1   173.901 ? 554 C 1 c
ATOM 4463 N  N    . GLY Cxp C 127 ? 7.37   42.025  67.511  1   217.152 ? 555 C 1 .
ATOM 4464 C  CA   . GLY Cxp C 127 ? 7.799  43.411  67.447  1   218.165 ? 555 C 1 .
ATOM 4465 C  C    . GLY Cxp C 127 ? 7.253  44.051  66.171  1   215.558 ? 555 C 1 .
ATOM 4466 O  O    . GLY Cxp C 127 ? 7.215  43.383  65.132  1   131.364 ? 555 C 1 .
ATOM 4467 H  H    . GLY Cxp C 127 ? 7.996  41.375  67.372  1   214.328 ? 555 C 1 c
ATOM 4468 H  HA3  . GLY Cxp C 127 ? 8.784  43.449  67.445  1   217.125 ? 555 C 1 c
ATOM 4469 H  HA2  . GLY Cxp C 127 ? 7.474  43.887  68.237  1   216.219 ? 555 C 1 c
ATOM 4470 N  N    . GLU Cxp C 128 ? 6.84   45.334  66.219  1   226.808 ? 556 C 1 .
ATOM 4471 C  CA   . GLU Cxp C 128 ? 6.95   46.271  67.34   1   197.363 ? 556 C 1 .
ATOM 4472 C  C    . GLU Cxp C 128 ? 8.424  46.512  67.699  1   178.108 ? 556 C 1 .
ATOM 4473 O  O    . GLU Cxp C 128 ? 8.792  46.719  68.857  1   137.328 ? 556 C 1 .
ATOM 4474 C  CB   . GLU Cxp C 128 ? 5.967  45.925  68.464  1   176.56  ? 556 C 1 .
ATOM 4475 C  CG   . GLU Cxp C 128 ? 4.538  45.764  67.955  0.1 154.983 ? 556 C 1 .
ATOM 4476 C  CD   . GLU Cxp C 128 ? 3.5    45.403  69      0.1 137.827 ? 556 C 1 .
ATOM 4477 O  OE1  . GLU Cxp C 128 ? 3.847  45.249  70.189  0.1 124.059 ? 556 C 1 .
ATOM 4478 O  OE2  . GLU Cxp C 128 ? 2.326  45.275  68.605  0.1 127.842 ? 556 C 1 .
ATOM 4479 H  H    . GLU Cxp C 128 ? 6.445  45.653  65.46   1   216.254 ? 556 C 1 c
ATOM 4480 H  HA   . GLU Cxp C 128 ? 6.616  47.14   67.003  1   194.725 ? 556 C 1 c
ATOM 4481 H  HB3  . GLU Cxp C 128 ? 5.986  46.643  69.131  1   175.876 ? 556 C 1 c
ATOM 4482 H  HB2  . GLU Cxp C 128 ? 6.251  45.101  68.907  1   176.297 ? 556 C 1 c
ATOM 4483 H  HG3  . GLU Cxp C 128 ? 4.526  45.069  67.263  0.1 155.715 ? 556 C 1 c
ATOM 4484 H  HG2  . GLU Cxp C 128 ? 4.261  46.602  67.526  0.1 155.448 ? 556 C 1 c
ATOM 4485 N  N    . GLY Cxp C 129 ? 9.258  46.56   66.654  1   190.265 ? 557 C 1 .
ATOM 4486 C  CA   . GLY Cxp C 129 ? 10.665 46.898  66.774  1   200.242 ? 557 C 1 .
ATOM 4487 C  C    . GLY Cxp C 129 ? 11.49  45.689  67.195  1   209.827 ? 557 C 1 .
ATOM 4488 O  O    . GLY Cxp C 129 ? 11.468 44.654  66.531  1   199.268 ? 557 C 1 .
ATOM 4489 H  H    . GLY Cxp C 129 ? 8.929  46.38   65.82   1   189.925 ? 557 C 1 c
ATOM 4490 H  HA3  . GLY Cxp C 129 ? 10.77  47.622  67.435  1   199.694 ? 557 C 1 c
ATOM 4491 H  HA2  . GLY Cxp C 129 ? 10.991 47.231  65.905  1   199.853 ? 557 C 1 c
ATOM 4492 N  N    . ASP Cxp C 130 ? 12.197 45.844  68.319  1   230.236 ? 558 C 1 .
ATOM 4493 C  CA   . ASP Cxp C 130 ? 13.122 44.834  68.795  1   221.195 ? 558 C 1 .
ATOM 4494 C  C    . ASP Cxp C 130 ? 12.344 43.633  69.33   1   214.864 ? 558 C 1 .
ATOM 4495 O  O    . ASP Cxp C 130 ? 11.418 43.787  70.124  1   183.188 ? 558 C 1 .
ATOM 4496 C  CB   . ASP Cxp C 130 ? 14.075 45.41   69.831  1   202.22  ? 558 C 1 .
ATOM 4497 C  CG   . ASP Cxp C 130 ? 15.003 46.508  69.326  1   202.856 ? 558 C 1 .
ATOM 4498 O  OD1  . ASP Cxp C 130 ? 14.985 46.792  68.108  1   207.878 ? 558 C 1 .
ATOM 4499 O  OD2  . ASP Cxp C 130 ? 15.741 47.071  70.154  1   175.56  ? 558 C 1 .
ATOM 4500 H  H    . ASP Cxp C 130 ? 12.095 46.61   68.808  1   222.631 ? 558 C 1 c
ATOM 4501 H  HA   . ASP Cxp C 130 ? 13.671 44.545  68.036  1   217.865 ? 558 C 1 c
ATOM 4502 H  HB3  . ASP Cxp C 130 ? 14.628 44.683  70.185  1   206.556 ? 558 C 1 c
ATOM 4503 H  HB2  . ASP Cxp C 130 ? 13.547 45.776  70.572  1   206.556 ? 558 C 1 c
ATOM 4504 N  N    . PRO Cxp C 131 ? 12.684 42.401  68.88   1   224.076 ? 559 C 1 .
ATOM 4505 C  CA   . PRO Cxp C 131 ? 12.265 41.18   69.558  1   215.819 ? 559 C 1 .
ATOM 4506 C  C    . PRO Cxp C 131 ? 12.892 41.054  70.946  1   211.147 ? 559 C 1 .
ATOM 4507 O  O    . PRO Cxp C 131 ? 14.031 41.474  71.121  1   182.619 ? 559 C 1 .
ATOM 4508 C  CB   . PRO Cxp C 131 ? 12.759 40.067  68.624  1   190.16  ? 559 C 1 .
ATOM 4509 C  CG   . PRO Cxp C 131 ? 13.015 40.765  67.308  1   200.119 ? 559 C 1 .
ATOM 4510 C  CD   . PRO Cxp C 131 ? 13.495 42.12   67.688  1   218.301 ? 559 C 1 .
ATOM 4511 H  HA   . PRO Cxp C 131 ? 11.291 41.161  69.628  1   211.098 ? 559 C 1 c
ATOM 4512 H  HB3  . PRO Cxp C 131 ? 12.082 39.371  68.523  1   197.767 ? 559 C 1 c
ATOM 4513 H  HB2  . PRO Cxp C 131 ? 13.579 39.662  68.968  1   197.942 ? 559 C 1 c
ATOM 4514 H  HG3  . PRO Cxp C 131 ? 12.194 40.826  66.779  1   201.844 ? 559 C 1 c
ATOM 4515 H  HG2  . PRO Cxp C 131 ? 13.694 40.292  66.787  1   201.845 ? 559 C 1 c
ATOM 4516 H  HD3  . PRO Cxp C 131 ? 14.448 42.118  67.904  1   215.324 ? 559 C 1 c
ATOM 4517 H  HD2  . PRO Cxp C 131 ? 13.321 42.77   66.98   1   215.281 ? 559 C 1 c
ATOM 4518 N  N    . PHE Cxp C 132 ? 12.164 40.469  71.916  1   200.301 ? 560 C 1 .
ATOM 4519 C  CA   . PHE Cxp C 132 ? 12.622 40.411  73.304  1   174.412 ? 560 C 1 .
ATOM 4520 C  C    . PHE Cxp C 132 ? 12.4   39.03   73.934  1   168.18  ? 560 C 1 .
ATOM 4521 O  O    . PHE Cxp C 132 ? 11.699 38.187  73.378  1   139.649 ? 560 C 1 .
ATOM 4522 C  CB   . PHE Cxp C 132 ? 11.926 41.488  74.147  1   162.986 ? 560 C 1 .
ATOM 4523 C  CG   . PHE Cxp C 132 ? 10.411 41.358  74.291  1   175.823 ? 560 C 1 .
ATOM 4524 C  CD1  . PHE Cxp C 132 ? 9.847  40.584  75.305  1   175.28  ? 560 C 1 .
ATOM 4525 C  CD2  . PHE Cxp C 132 ? 9.547  42.028  73.427  1   183.029 ? 560 C 1 .
ATOM 4526 C  CE1  . PHE Cxp C 132 ? 8.465  40.481  75.442  1   156.916 ? 560 C 1 .
ATOM 4527 C  CE2  . PHE Cxp C 132 ? 8.168  41.924  73.573  1   166.437 ? 560 C 1 .
ATOM 4528 C  CZ   . PHE Cxp C 132 ? 7.63   41.145  74.575  1   150.461 ? 560 C 1 .
ATOM 4529 H  H    . PHE Cxp C 132 ? 11.358 40.094  71.705  1   196.663 ? 560 C 1 c
ATOM 4530 H  HA   . PHE Cxp C 132 ? 13.598 40.598  73.316  1   176.011 ? 560 C 1 c
ATOM 4531 H  HB3  . PHE Cxp C 132 ? 12.127 42.364  73.748  1   168.382 ? 560 C 1 c
ATOM 4532 H  HB2  . PHE Cxp C 132 ? 12.326 41.48   75.044  1   168.3   ? 560 C 1 c
ATOM 4533 H  HD1  . PHE Cxp C 132 ? 10.412 40.124  75.906  1   170.74  ? 560 C 1 c
ATOM 4534 H  HD2  . PHE Cxp C 132 ? 9.904  42.564  72.737  1   176.901 ? 560 C 1 c
ATOM 4535 H  HE1  . PHE Cxp C 132 ? 8.1    39.948  76.13   1   159.668 ? 560 C 1 c
ATOM 4536 H  HE2  . PHE Cxp C 132 ? 7.598  42.38   72.974  1   166.184 ? 560 C 1 c
ATOM 4537 H  HZ   . PHE Cxp C 132 ? 6.693  41.072  74.669  1   155.986 ? 560 C 1 c
ATOM 4538 N  N    . TYR Cxp C 133 ? 13.003 38.829  75.119  1   162.748 ? 561 C 1 .
ATOM 4539 C  CA   . TYR Cxp C 133 ? 12.878 37.6    75.891  1   137.286 ? 561 C 1 .
ATOM 4540 C  C    . TYR Cxp C 133 ? 11.772 37.69   76.933  1   122.419 ? 561 C 1 .
ATOM 4541 O  O    . TYR Cxp C 133 ? 11.865 38.512  77.83   1   129.771 ? 561 C 1 .
ATOM 4542 C  CB   . TYR Cxp C 133 ? 14.18  37.358  76.652  1   144.388 ? 561 C 1 .
ATOM 4543 C  CG   . TYR Cxp C 133 ? 15.257 36.776  75.758  1   153.81  ? 561 C 1 .
ATOM 4544 C  CD1  . TYR Cxp C 133 ? 14.921 35.919  74.709  1   147.805 ? 561 C 1 .
ATOM 4545 C  CD2  . TYR Cxp C 133 ? 16.592 37.111  75.94   1   141.761 ? 561 C 1 .
ATOM 4546 C  CE1  . TYR Cxp C 133 ? 15.891 35.388  73.882  1   143.492 ? 561 C 1 .
ATOM 4547 C  CE2  . TYR Cxp C 133 ? 17.573 36.582  75.118  1   150.128 ? 561 C 1 .
ATOM 4548 C  CZ   . TYR Cxp C 133 ? 17.218 35.72   74.09   1   153.293 ? 561 C 1 .
ATOM 4549 O  OH   . TYR Cxp C 133 ? 18.146 35.163  73.261  1   150.101 ? 561 C 1 .
ATOM 4550 H  H    . TYR Cxp C 133 ? 13.521 39.501  75.459  1   157.824 ? 561 C 1 c
ATOM 4551 H  HA   . TYR Cxp C 133 ? 12.698 36.845  75.283  1   140.237 ? 561 C 1 c
ATOM 4552 H  HB3  . TYR Cxp C 133 ? 14.006 36.737  77.393  1   144.711 ? 561 C 1 c
ATOM 4553 H  HB2  . TYR Cxp C 133 ? 14.495 38.211  77.026  1   144.982 ? 561 C 1 c
ATOM 4554 H  HD1  . TYR Cxp C 133 ? 14.02  35.681  74.569  1   147.946 ? 561 C 1 c
ATOM 4555 H  HD2  . TYR Cxp C 133 ? 16.837 37.694  76.641  1   146.445 ? 561 C 1 c
ATOM 4556 H  HE1  . TYR Cxp C 133 ? 15.653 34.797  73.188  1   146.77  ? 561 C 1 c
ATOM 4557 H  HE2  . TYR Cxp C 133 ? 18.478 36.804  75.256  1   148.829 ? 561 C 1 c
ATOM 4558 H  HH   . TYR Cxp C 133 ? 17.828 35.11   72.79   0   154.73  ? 561 C 1 c
ATOM 4559 N  N    . GLU Cxp C 134 ? 10.782 36.796  76.855  1   122.873 ? 562 C 1 .
ATOM 4560 C  CA   . GLU Cxp C 134 ? 9.6    36.872  77.708  1   137.46  ? 562 C 1 .
ATOM 4561 C  C    . GLU Cxp C 134 ? 9.547  35.715  78.708  1   145.431 ? 562 C 1 .
ATOM 4562 O  O    . GLU Cxp C 134 ? 9.361  34.562  78.323  1   157.399 ? 562 C 1 .
ATOM 4563 C  CB   . GLU Cxp C 134 ? 8.374  36.81   76.799  1   146.174 ? 562 C 1 .
ATOM 4564 C  CG   . GLU Cxp C 134 ? 7.049  37.015  77.519  1   130.529 ? 562 C 1 .
ATOM 4565 C  CD   . GLU Cxp C 134 ? 5.916  36.79   76.551  1   140.808 ? 562 C 1 .
ATOM 4566 O  OE1  . GLU Cxp C 134 ? 6.151  36.728  75.317  1   179.972 ? 562 C 1 .
ATOM 4567 O  OE2  . GLU Cxp C 134 ? 4.796  36.652  77.069  1   163.558 ? 562 C 1 .
ATOM 4568 H  H    . GLU Cxp C 134 ? 10.843 36.113  76.252  1   126.272 ? 562 C 1 c
ATOM 4569 H  HA   . GLU Cxp C 134 ? 9.606  37.733  78.197  1   137.118 ? 562 C 1 c
ATOM 4570 H  HB3  . GLU Cxp C 134 ? 8.362  35.939  76.35   1   140.814 ? 562 C 1 c
ATOM 4571 H  HB2  . GLU Cxp C 134 ? 8.465  37.499  76.108  1   140.718 ? 562 C 1 c
ATOM 4572 H  HG3  . GLU Cxp C 134 ? 6.998  37.93   77.871  1   136.265 ? 562 C 1 c
ATOM 4573 H  HG2  . GLU Cxp C 134 ? 6.969  36.382  78.264  1   136.3   ? 562 C 1 c
ATOM 4574 N  N    . VAL Cxp C 135 ? 9.684  36.036  79.999  1   128.878 ? 563 C 1 .
ATOM 4575 C  CA   . VAL Cxp C 135 ? 9.619  35.058  81.079  1   96.509  ? 563 C 1 .
ATOM 4576 C  C    . VAL Cxp C 135 ? 8.213  34.469  81.198  1   95.566  ? 563 C 1 .
ATOM 4577 O  O    . VAL Cxp C 135 ? 7.222  35.198  81.259  1   109.461 ? 563 C 1 .
ATOM 4578 C  CB   . VAL Cxp C 135 ? 10.003 35.753  82.4    1   99.242  ? 563 C 1 .
ATOM 4579 C  CG1  . VAL Cxp C 135 ? 9.88   34.798  83.588  1   104.172 ? 563 C 1 .
ATOM 4580 C  CG2  . VAL Cxp C 135 ? 11.378 36.419  82.324  1   91.701  ? 563 C 1 .
ATOM 4581 H  H    . VAL Cxp C 135 ? 9.811  36.915  80.217  1   123.703 ? 563 C 1 c
ATOM 4582 H  HA   . VAL Cxp C 135 ? 10.256 34.342  80.896  1   102.625 ? 563 C 1 c
ATOM 4583 H  HB   . VAL Cxp C 135 ? 9.345  36.471  82.542  1   98.314  ? 563 C 1 c
ATOM 4584 H  HG11 . VAL Cxp C 135 ? 10.136 33.902  83.313  1   102.615 ? 563 C 1 c
ATOM 4585 H  HG12 . VAL Cxp C 135 ? 8.961  34.789  83.903  1   102.641 ? 563 C 1 c
ATOM 4586 H  HG13 . VAL Cxp C 135 ? 10.463 35.094  84.306  1   102.65  ? 563 C 1 c
ATOM 4587 H  HG21 . VAL Cxp C 135 ? 11.734 36.536  83.22   1   94.023  ? 563 C 1 c
ATOM 4588 H  HG22 . VAL Cxp C 135 ? 11.295 37.287  81.895  1   94.08   ? 563 C 1 c
ATOM 4589 H  HG23 . VAL Cxp C 135 ? 11.981 35.86   81.807  1   93.931  ? 563 C 1 c
ATOM 4590 N  N    . LEU Cxp C 136 ? 8.124  33.141  81.277  1   102.157 ? 564 C 1 .
ATOM 4591 C  CA   . LEU Cxp C 136 ? 6.827  32.474  81.36   1   108.587 ? 564 C 1 .
ATOM 4592 C  C    . LEU Cxp C 136 ? 6.581  31.841  82.735  1   100.725 ? 564 C 1 .
ATOM 4593 O  O    . LEU Cxp C 136 ? 5.453  31.724  83.192  1   99.141  ? 564 C 1 .
ATOM 4594 C  CB   . LEU Cxp C 136 ? 6.721  31.42   80.258  1   103.791 ? 564 C 1 .
ATOM 4595 C  CG   . LEU Cxp C 136 ? 7.004  31.867  78.818  1   109.44  ? 564 C 1 .
ATOM 4596 C  CD1  . LEU Cxp C 136 ? 6.752  30.657  77.933  1   111.26  ? 564 C 1 .
ATOM 4597 C  CD2  . LEU Cxp C 136 ? 6.209  33.065  78.282  1   131.138 ? 564 C 1 .
ATOM 4598 H  H    . LEU Cxp C 136 ? 8.883  32.633  81.268  1   101.866 ? 564 C 1 c
ATOM 4599 H  HA   . LEU Cxp C 136 ? 6.122  33.154  81.212  1   104.937 ? 564 C 1 c
ATOM 4600 H  HB3  . LEU Cxp C 136 ? 5.811  31.043  80.288  1   106.282 ? 564 C 1 c
ATOM 4601 H  HB2  . LEU Cxp C 136 ? 7.34   30.687  80.479  1   106.164 ? 564 C 1 c
ATOM 4602 H  HG   . LEU Cxp C 136 ? 7.968  32.092  78.753  1   112.366 ? 564 C 1 c
ATOM 4603 H  HD11 . LEU Cxp C 136 ? 7.313  29.919  78.224  1   110.661 ? 564 C 1 c
ATOM 4604 H  HD12 . LEU Cxp C 136 ? 6.965  30.88   77.01   1   110.783 ? 564 C 1 c
ATOM 4605 H  HD13 . LEU Cxp C 136 ? 5.818  30.398  77.995  1   110.693 ? 564 C 1 c
ATOM 4606 H  HD21 . LEU Cxp C 136 ? 6.485  33.873  78.748  1   124.368 ? 564 C 1 c
ATOM 4607 H  HD22 . LEU Cxp C 136 ? 5.26   32.917  78.428  1   124.368 ? 564 C 1 c
ATOM 4608 H  HD23 . LEU Cxp C 136 ? 6.377  33.168  77.331  1   124.376 ? 564 C 1 c
ATOM 4609 N  N    . GLY Cxp C 137 ? 7.624  31.366  83.394  1   100.371 ? 565 C 1 .
ATOM 4610 C  CA   . GLY Cxp C 137 ? 7.419  30.609  84.605  1   92.17   ? 565 C 1 .
ATOM 4611 C  C    . GLY Cxp C 137 ? 8.748  30.066  85.101  1   101.053 ? 565 C 1 .
ATOM 4612 O  O    . GLY Cxp C 137 ? 9.826  30.498  84.662  1   90.344  ? 565 C 1 .
ATOM 4613 H  H    . GLY Cxp C 137 ? 8.474  31.509  83.091  1   98.67   ? 565 C 1 c
ATOM 4614 H  HA3  . GLY Cxp C 137 ? 6.798  29.864  84.425  1   96      ? 565 C 1 c
ATOM 4615 H  HA2  . GLY Cxp C 137 ? 7.016  31.19   85.292  1   96.068  ? 565 C 1 c
ATOM 4616 N  N    . ILE Cxp C 138 ? 8.621  29.116  86.03   1   104.957 ? 566 C 1 .
ATOM 4617 C  CA   . ILE Cxp C 138 ? 9.751  28.395  86.582  1   94.694  ? 566 C 1 .
ATOM 4618 C  C    . ILE Cxp C 138 ? 9.559  26.919  86.277  1   84.439  ? 566 C 1 .
ATOM 4619 O  O    . ILE Cxp C 138 ? 8.44   26.424  86.104  1   79.978  ? 566 C 1 .
ATOM 4620 C  CB   . ILE Cxp C 138 ? 9.879  28.614  88.097  1   91.304  ? 566 C 1 .
ATOM 4621 C  CG1  . ILE Cxp C 138 ? 8.689  27.93   88.857  1   135.346 ? 566 C 1 .
ATOM 4622 C  CG2  . ILE Cxp C 138 ? 10.014 30.103  88.399  1   67.289  ? 566 C 1 .
ATOM 4623 C  CD1  . ILE Cxp C 138 ? 8.832  27.78   90.369  1   157.422 ? 566 C 1 .
ATOM 4624 H  H    . ILE Cxp C 138 ? 7.784  28.908  86.333  1   101.826 ? 566 C 1 c
ATOM 4625 H  HA   . ILE Cxp C 138 ? 10.569 28.706  86.149  1   93.823  ? 566 C 1 c
ATOM 4626 H  HB   . ILE Cxp C 138 ? 10.704 28.177  88.388  1   93.271  ? 566 C 1 c
ATOM 4627 H  HG12 . ILE Cxp C 138 ? 8.557  27.037  88.481  1   127.47  ? 566 C 1 c
ATOM 4628 H  HG13 . ILE Cxp C 138 ? 7.877  28.443  88.677  1   127.547 ? 566 C 1 c
ATOM 4629 H  HG21 . ILE Cxp C 138 ? 9.911  30.252  89.354  1   74.393  ? 566 C 1 c
ATOM 4630 H  HG22 . ILE Cxp C 138 ? 9.33   30.599  87.921  1   74.178  ? 566 C 1 c
ATOM 4631 H  HG23 . ILE Cxp C 138 ? 10.891 30.414  88.119  1   73.886  ? 566 C 1 c
ATOM 4632 H  HD11 . ILE Cxp C 138 ? 9.664  27.312  90.574  1   150.4   ? 566 C 1 c
ATOM 4633 H  HD12 . ILE Cxp C 138 ? 8.079  27.267  90.719  1   150.4   ? 566 C 1 c
ATOM 4634 H  HD13 . ILE Cxp C 138 ? 8.845  28.662  90.786  1   149.808 ? 566 C 1 c
ATOM 4635 N  N    . VAL Cxp C 139 ? 10.691 26.231  86.265  1   83.528  ? 567 C 1 .
ATOM 4636 C  CA   . VAL Cxp C 139 ? 10.693 24.786  86.217  1   93.983  ? 567 C 1 .
ATOM 4637 C  C    . VAL Cxp C 139 ? 11.815 24.316  87.132  1   93.574  ? 567 C 1 .
ATOM 4638 O  O    . VAL Cxp C 139 ? 12.944 24.806  87.072  1   77.933  ? 567 C 1 .
ATOM 4639 C  CB   . VAL Cxp C 139 ? 10.866 24.283  84.772  1   88.104  ? 567 C 1 .
ATOM 4640 C  CG1  . VAL Cxp C 139 ? 12.171 24.76   84.148  1   84.565  ? 567 C 1 .
ATOM 4641 C  CG2  . VAL Cxp C 139 ? 10.769 22.776  84.676  1   78.285  ? 567 C 1 .
ATOM 4642 H  H    . VAL Cxp C 139 ? 11.49  26.674  86.29   1   86.178  ? 567 C 1 c
ATOM 4643 H  HA   . VAL Cxp C 139 ? 9.842  24.459  86.564  1   90.618  ? 567 C 1 c
ATOM 4644 H  HB   . VAL Cxp C 139 ? 10.126 24.664  84.243  1   86.538  ? 567 C 1 c
ATOM 4645 H  HG11 . VAL Cxp C 139 ? 12.911 24.236  84.497  1   85.508  ? 567 C 1 c
ATOM 4646 H  HG12 . VAL Cxp C 139 ? 12.311 25.698  84.359  1   85.569  ? 567 C 1 c
ATOM 4647 H  HG13 . VAL Cxp C 139 ? 12.127 24.651  83.183  1   85.573  ? 567 C 1 c
ATOM 4648 H  HG21 . VAL Cxp C 139 ? 10.609 22.519  83.752  1   81.102  ? 567 C 1 c
ATOM 4649 H  HG22 . VAL Cxp C 139 ? 10.035 22.462  85.23   1   81.102  ? 567 C 1 c
ATOM 4650 H  HG23 . VAL Cxp C 139 ? 11.599 22.375  84.983  1   81.18   ? 567 C 1 c
ATOM 4651 N  N    . THR Cxp C 140 ? 11.484 23.38   88.013  1   90.124  ? 568 C 1 .
ATOM 4652 C  CA   . THR Cxp C 140 ? 12.508 22.83   88.87   1   86.849  ? 568 C 1 .
ATOM 4653 C  C    . THR Cxp C 140 ? 12.773 21.39   88.439  1   84.331  ? 568 C 1 .
ATOM 4654 O  O    . THR Cxp C 140 ? 12.067 20.807  87.615  1   60.475  ? 568 C 1 .
ATOM 4655 C  CB   . THR Cxp C 140 ? 12.076 22.949  90.332  1   94.414  ? 568 C 1 .
ATOM 4656 O  OG1  . THR Cxp C 140 ? 11.098 21.958  90.62   1   107.17  ? 568 C 1 .
ATOM 4657 C  CG2  . THR Cxp C 140 ? 11.438 24.288  90.649  1   106.236 ? 568 C 1 .
ATOM 4658 H  H    . THR Cxp C 140 ? 10.623 23.084  88.086  1   90.283  ? 568 C 1 c
ATOM 4659 H  HA   . THR Cxp C 140 ? 13.329 23.349  88.748  1   88.326  ? 568 C 1 c
ATOM 4660 H  HB   . THR Cxp C 140 ? 12.858 22.816  90.919  1   97.419  ? 568 C 1 c
ATOM 4661 H  HG1  . THR Cxp C 140 ? 10.46  22.005  90.144  0   88.49   ? 568 C 1 c
ATOM 4662 H  HG21 . THR Cxp C 140 ? 11.498 24.459  91.604  1   102.518 ? 568 C 1 c
ATOM 4663 H  HG22 . THR Cxp C 140 ? 10.503 24.276  90.381  1   102.49  ? 568 C 1 c
ATOM 4664 H  HG23 . THR Cxp C 140 ? 11.902 24.992  90.165  1   102.32  ? 568 C 1 c
ATOM 4665 N  N    . LEU Cxp C 141 ? 13.832 20.837  89.025  1   90.031  ? 569 C 1 .
ATOM 4666 C  CA   . LEU Cxp C 141 ? 14.093 19.407  89.016  1   90.894  ? 569 C 1 .
ATOM 4667 C  C    . LEU Cxp C 141 ? 12.848 18.646  89.479  1   87.276  ? 569 C 1 .
ATOM 4668 O  O    . LEU Cxp C 141 ? 12.413 17.7    88.846  1   84.831  ? 569 C 1 .
ATOM 4669 C  CB   . LEU Cxp C 141 ? 15.275 19.139  89.954  1   100.352 ? 569 C 1 .
ATOM 4670 C  CG   . LEU Cxp C 141 ? 16.392 18.233  89.421  1   104.761 ? 569 C 1 .
ATOM 4671 C  CD1  . LEU Cxp C 141 ? 17.234 17.699  90.552  1   111.192 ? 569 C 1 .
ATOM 4672 C  CD2  . LEU Cxp C 141 ? 15.92  17.088  88.555  1   95.1    ? 569 C 1 .
ATOM 4673 H  H    . LEU Cxp C 141 ? 14.426 21.385  89.451  1   88.99   ? 569 C 1 c
ATOM 4674 H  HA   . LEU Cxp C 141 ? 14.326 19.132  88.095  1   91.441  ? 569 C 1 c
ATOM 4675 H  HB3  . LEU Cxp C 141 ? 14.924 18.739  90.783  1   99.027  ? 569 C 1 c
ATOM 4676 H  HB2  . LEU Cxp C 141 ? 15.676 20.003  90.203  1   99.004  ? 569 C 1 c
ATOM 4677 H  HG   . LEU Cxp C 141 ? 16.984 18.794  88.86   1   103.075 ? 569 C 1 c
ATOM 4678 H  HD11 . LEU Cxp C 141 ? 17.432 18.416  91.177  1   109.212 ? 569 C 1 c
ATOM 4679 H  HD12 . LEU Cxp C 141 ? 18.065 17.341  90.198  1   109.216 ? 569 C 1 c
ATOM 4680 H  HD13 . LEU Cxp C 141 ? 16.749 16.994  91.013  1   109.15  ? 569 C 1 c
ATOM 4681 H  HD21 . LEU Cxp C 141 ? 15.784 17.403  87.646  1   97.812  ? 569 C 1 c
ATOM 4682 H  HD22 . LEU Cxp C 141 ? 15.083 16.74   88.905  1   97.748  ? 569 C 1 c
ATOM 4683 H  HD23 . LEU Cxp C 141 ? 16.588 16.382  88.555  1   97.908  ? 569 C 1 c
ATOM 4684 N  N    . GLU Cxp C 142 ? 12.28  19.059  90.613  1   94.391  ? 570 C 1 .
ATOM 4685 C  CA   . GLU Cxp C 142 ? 11.071 18.452  91.141  1   96.931  ? 570 C 1 .
ATOM 4686 C  C    . GLU Cxp C 142 ? 10.015 18.307  90.033  1   100.529 ? 570 C 1 .
ATOM 4687 O  O    . GLU Cxp C 142 ? 9.303  17.311  90.01   1   89.812  ? 570 C 1 .
ATOM 4688 C  CB   . GLU Cxp C 142 ? 10.655 19.27   92.374  1   113.99  ? 570 C 1 .
ATOM 4689 C  CG   . GLU Cxp C 142 ? 9.33   18.853  93.024  1   176.181 ? 570 C 1 .
ATOM 4690 C  CD   . GLU Cxp C 142 ? 8.001  19.397  92.482  1   224.747 ? 570 C 1 .
ATOM 4691 O  OE1  . GLU Cxp C 142 ? 7.996  20.187  91.513  1   265.003 ? 570 C 1 .
ATOM 4692 O  OE2  . GLU Cxp C 142 ? 6.927  19.073  93.081  1   200.241 ? 570 C 1 .
ATOM 4693 H  H    . GLU Cxp C 142 ? 12.667 19.743  91.08   1   93.493  ? 570 C 1 c
ATOM 4694 H  HA   . GLU Cxp C 142 ? 11.305 17.542  91.456  1   100.011 ? 570 C 1 c
ATOM 4695 H  HB3  . GLU Cxp C 142 ? 10.586 20.211  92.117  1   121.769 ? 570 C 1 c
ATOM 4696 H  HB2  . GLU Cxp C 142 ? 11.364 19.199  93.047  1   121.565 ? 570 C 1 c
ATOM 4697 H  HG3  . GLU Cxp C 142 ? 9.376  19.091  93.975  1   168.439 ? 570 C 1 c
ATOM 4698 H  HG2  . GLU Cxp C 142 ? 9.278  17.874  92.995  1   168.439 ? 570 C 1 c
ATOM 4699 N  N    . ASP Cxp C 143 ? 9.854  19.32   89.162  1   98.069  ? 571 C 1 .
ATOM 4700 C  CA   . ASP Cxp C 143 ? 8.817  19.321  88.144  1   89.738  ? 571 C 1 .
ATOM 4701 C  C    . ASP Cxp C 143 ? 9.052  18.161  87.183  1   78.171  ? 571 C 1 .
ATOM 4702 O  O    . ASP Cxp C 143 ? 8.112  17.469  86.781  1   83.99   ? 571 C 1 .
ATOM 4703 C  CB   . ASP Cxp C 143 ? 8.759  20.656  87.415  1   102.16  ? 571 C 1 .
ATOM 4704 C  CG   . ASP Cxp C 143 ? 8.202  21.837  88.197  1   104.237 ? 571 C 1 .
ATOM 4705 O  OD1  . ASP Cxp C 143 ? 7.037  21.71   88.665  1   97.401  ? 571 C 1 .
ATOM 4706 O  OD2  . ASP Cxp C 143 ? 8.936  22.865  88.309  1   95.927  ? 571 C 1 .
ATOM 4707 H  H    . ASP Cxp C 143 ? 10.408 20.044  89.219  1   96.605  ? 571 C 1 c
ATOM 4708 H  HA   . ASP Cxp C 143 ? 7.951  19.185  88.589  1   91.199  ? 571 C 1 c
ATOM 4709 H  HB3  . ASP Cxp C 143 ? 8.202  20.543  86.616  1   99.431  ? 571 C 1 c
ATOM 4710 H  HB2  . ASP Cxp C 143 ? 9.66   20.889  87.113  1   99.259  ? 571 C 1 c
ATOM 4711 N  N    . VAL Cxp C 144 ? 10.318 17.938  86.829  1   67.057  ? 572 C 1 .
ATOM 4712 C  CA   . VAL Cxp C 144 ? 10.628 16.925  85.826  1   75.781  ? 572 C 1 .
ATOM 4713 C  C    . VAL Cxp C 144 ? 10.575 15.517  86.435  1   73.377  ? 572 C 1 .
ATOM 4714 O  O    . VAL Cxp C 144 ? 10.113 14.557  85.804  1   74.438  ? 572 C 1 .
ATOM 4715 C  CB   . VAL Cxp C 144 ? 11.951 17.185  85.068  1   77.285  ? 572 C 1 .
ATOM 4716 C  CG1  . VAL Cxp C 144 ? 12.763 18.344  85.638  1   66.991  ? 572 C 1 .
ATOM 4717 C  CG2  . VAL Cxp C 144 ? 12.779 15.905  84.903  1   84.344  ? 572 C 1 .
ATOM 4718 H  H    . VAL Cxp C 144 ? 10.995 18.403  87.229  1   71.764  ? 572 C 1 c
ATOM 4719 H  HA   . VAL Cxp C 144 ? 9.916  16.967  85.158  1   73.926  ? 572 C 1 c
ATOM 4720 H  HB   . VAL Cxp C 144 ? 11.694 17.459  84.157  1   76.17   ? 572 C 1 c
ATOM 4721 H  HG11 . VAL Cxp C 144 ? 13.003 18.153  86.558  1   70.088  ? 572 C 1 c
ATOM 4722 H  HG12 . VAL Cxp C 144 ? 12.238 19.161  85.601  1   69.864  ? 572 C 1 c
ATOM 4723 H  HG13 . VAL Cxp C 144 ? 13.572 18.46   85.113  1   69.913  ? 572 C 1 c
ATOM 4724 H  HG21 . VAL Cxp C 144 ? 13.58  16.104  84.391  1   82.168  ? 572 C 1 c
ATOM 4725 H  HG22 . VAL Cxp C 144 ? 12.256 15.235  84.431  1   82.097  ? 572 C 1 c
ATOM 4726 H  HG23 . VAL Cxp C 144 ? 13.034 15.564  85.777  1   82.11   ? 572 C 1 c
ATOM 4727 N  N    . ILE Cxp C 145 ? 11.064 15.397  87.669  1   77.55   ? 573 C 1 .
ATOM 4728 C  CA   . ILE Cxp C 145 ? 11.038 14.128  88.373  1   79.036  ? 573 C 1 .
ATOM 4729 C  C    . ILE Cxp C 145 ? 9.58   13.725  88.568  1   84.835  ? 573 C 1 .
ATOM 4730 O  O    . ILE Cxp C 145 ? 9.23   12.559  88.392  1   70.436  ? 573 C 1 .
ATOM 4731 C  CB   . ILE Cxp C 145 ? 11.74  14.227  89.737  1   83.638  ? 573 C 1 .
ATOM 4732 C  CG1  . ILE Cxp C 145 ? 13.114 14.797  89.637  1   89.712  ? 573 C 1 .
ATOM 4733 C  CG2  . ILE Cxp C 145 ? 11.784 12.855  90.407  1   84.763  ? 573 C 1 .
ATOM 4734 C  CD1  . ILE Cxp C 145 ? 14.003 13.993  88.71   1   98.884  ? 573 C 1 .
ATOM 4735 H  H    . ILE Cxp C 145 ? 11.412 16.13   88.088  1   77.013  ? 573 C 1 c
ATOM 4736 H  HA   . ILE Cxp C 145 ? 11.486 13.453  87.83   1   80.851  ? 573 C 1 c
ATOM 4737 H  HB   . ILE Cxp C 145 ? 11.21  14.822  90.304  1   84.103  ? 573 C 1 c
ATOM 4738 H  HG12 . ILE Cxp C 145 ? 13.517 14.815  90.529  1   90.164  ? 573 C 1 c
ATOM 4739 H  HG13 . ILE Cxp C 145 ? 13.061 15.715  89.312  1   90.041  ? 573 C 1 c
ATOM 4740 H  HG21 . ILE Cxp C 145 ? 12.434 12.869  91.124  1   84.689  ? 573 C 1 c
ATOM 4741 H  HG22 . ILE Cxp C 145 ? 12.035 12.179  89.755  1   84.573  ? 573 C 1 c
ATOM 4742 H  HG23 . ILE Cxp C 145 ? 10.909 12.641  90.771  1   84.51   ? 573 C 1 c
ATOM 4743 H  HD11 . ILE Cxp C 145 ? 13.956 13.044  88.932  1   95.837  ? 573 C 1 c
ATOM 4744 H  HD12 . ILE Cxp C 145 ? 14.924 14.3    88.81   1   95.805  ? 573 C 1 c
ATOM 4745 H  HD13 . ILE Cxp C 145 ? 13.72  14.123  87.786  1   95.789  ? 573 C 1 c
ATOM 4746 N  N    . GLU Cxp C 146 ? 8.774  14.707  89.017  1   92.688  ? 574 C 1 .
ATOM 4747 C  CA   . GLU Cxp C 146 ? 7.34   14.561  89.227  1   88.97   ? 574 C 1 .
ATOM 4748 C  C    . GLU Cxp C 146 ? 6.819  13.946  87.944  1   88.951  ? 574 C 1 .
ATOM 4749 O  O    . GLU Cxp C 146 ? 6.052  13.004  87.999  1   101.268 ? 574 C 1 .
ATOM 4750 C  CB   . GLU Cxp C 146 ? 6.702  15.9    89.632  1   97.434  ? 574 C 1 .
ATOM 4751 C  CG   . GLU Cxp C 146 ? 5.259  15.885  90.14   1   124.805 ? 574 C 1 .
ATOM 4752 C  CD   . GLU Cxp C 146 ? 4.784  17.155  90.901  1   153.666 ? 574 C 1 .
ATOM 4753 O  OE1  . GLU Cxp C 146 ? 5.108  17.329  92.106  1   150.776 ? 574 C 1 .
ATOM 4754 O  OE2  . GLU Cxp C 146 ? 4.048  17.998  90.311  1   155.045 ? 574 C 1 .
ATOM 4755 H  H    . GLU Cxp C 146 ? 9.151  15.516  89.212  1   89.872  ? 574 C 1 c
ATOM 4756 H  HA   . GLU Cxp C 146 ? 7.201  13.913  89.964  1   91.226  ? 574 C 1 c
ATOM 4757 H  HB3  . GLU Cxp C 146 ? 6.744  16.507  88.864  1   100.934 ? 574 C 1 c
ATOM 4758 H  HB2  . GLU Cxp C 146 ? 7.244  16.292  90.346  1   100.936 ? 574 C 1 c
ATOM 4759 H  HG3  . GLU Cxp C 146 ? 5.145  15.114  90.735  1   123.576 ? 574 C 1 c
ATOM 4760 H  HG2  . GLU Cxp C 146 ? 4.66   15.747  89.376  1   123.576 ? 574 C 1 c
ATOM 4761 N  N    . GLU Cxp C 147 ? 7.291  14.447  86.801  1   104.581 ? 575 C 1 .
ATOM 4762 C  CA   . GLU Cxp C 147 ? 6.847  13.991  85.493  1   110.655 ? 575 C 1 .
ATOM 4763 C  C    . GLU Cxp C 147 ? 7.33   12.575  85.167  1   99.505  ? 575 C 1 .
ATOM 4764 O  O    . GLU Cxp C 147 ? 6.678  11.861  84.414  1   93.893  ? 575 C 1 .
ATOM 4765 C  CB   . GLU Cxp C 147 ? 7.307  14.994  84.441  1   107.906 ? 575 C 1 .
ATOM 4766 C  CG   . GLU Cxp C 147 ? 6.683  14.722  83.077  1   135.596 ? 575 C 1 .
ATOM 4767 C  CD   . GLU Cxp C 147 ? 5.21   14.336  83.069  1   144.158 ? 575 C 1 .
ATOM 4768 O  OE1  . GLU Cxp C 147 ? 4.401  15.096  83.636  1   108.078 ? 575 C 1 .
ATOM 4769 O  OE2  . GLU Cxp C 147 ? 4.871  13.278  82.483  1   182.379 ? 575 C 1 .
ATOM 4770 H  H    . GLU Cxp C 147 ? 7.901  15.127  86.837  1   101.586 ? 575 C 1 c
ATOM 4771 H  HA   . GLU Cxp C 147 ? 5.858  13.981  85.502  1   106.895 ? 575 C 1 c
ATOM 4772 H  HB3  . GLU Cxp C 147 ? 8.281  14.95   84.361  1   113.982 ? 575 C 1 c
ATOM 4773 H  HB2  . GLU Cxp C 147 ? 7.07   15.898  84.736  1   114.158 ? 575 C 1 c
ATOM 4774 H  HG3  . GLU Cxp C 147 ? 7.188  14.003  82.64   1   130.634 ? 575 C 1 c
ATOM 4775 H  HG2  . GLU Cxp C 147 ? 6.789  15.523  82.521  1   130.537 ? 575 C 1 c
ATOM 4776 N  N    . ILE Cxp C 148 ? 8.463  12.168  85.741  1   94.097  ? 576 C 1 .
ATOM 4777 C  CA   . ILE Cxp C 148 ? 9.018  10.836  85.523  1   85.953  ? 576 C 1 .
ATOM 4778 C  C    . ILE Cxp C 148 ? 8.275  9.77    86.331  1   88.607  ? 576 C 1 .
ATOM 4779 O  O    . ILE Cxp C 148 ? 8.004  8.697   85.82   1   72.428  ? 576 C 1 .
ATOM 4780 C  CB   . ILE Cxp C 148 ? 10.51  10.799  85.887  1   75.53   ? 576 C 1 .
ATOM 4781 C  CG1  . ILE Cxp C 148 ? 11.329 11.586  84.917  1   91.317  ? 576 C 1 .
ATOM 4782 C  CG2  . ILE Cxp C 148 ? 11.023 9.366   86.003  1   66.827  ? 576 C 1 .
ATOM 4783 C  CD1  . ILE Cxp C 148 ? 12.706 11.926  85.449  1   99.205  ? 576 C 1 .
ATOM 4784 H  H    . ILE Cxp C 148 ? 8.921  12.747  86.278  1   93.278  ? 576 C 1 c
ATOM 4785 H  HA   . ILE Cxp C 148 ? 8.931  10.619  84.574  1   86.015  ? 576 C 1 c
ATOM 4786 H  HB   . ILE Cxp C 148 ? 10.609 11.218  86.763  1   78.66   ? 576 C 1 c
ATOM 4787 H  HG12 . ILE Cxp C 148 ? 10.858 12.415  84.699  1   88.931  ? 576 C 1 c
ATOM 4788 H  HG13 . ILE Cxp C 148 ? 11.427 11.068  84.091  1   88.879  ? 576 C 1 c
ATOM 4789 H  HG21 . ILE Cxp C 148 ? 11.992 9.358   85.924  1   69.773  ? 576 C 1 c
ATOM 4790 H  HG22 . ILE Cxp C 148 ? 10.64  8.823   85.294  1   69.608  ? 576 C 1 c
ATOM 4791 H  HG23 . ILE Cxp C 148 ? 10.77  8.996   86.865  1   69.622  ? 576 C 1 c
ATOM 4792 H  HD11 . ILE Cxp C 148 ? 12.677 12.02   86.419  1   96.341  ? 576 C 1 c
ATOM 4793 H  HD12 . ILE Cxp C 148 ? 13.008 12.764  85.052  1   96.651  ? 576 C 1 c
ATOM 4794 H  HD13 . ILE Cxp C 148 ? 13.329 11.213  85.212  1   96.487  ? 576 C 1 c
ATOM 4795 N  N    . ILE Cxp C 149 ? 8.04   10.011  87.626  1   106.059 ? 577 C 1 .
ATOM 4796 C  CA   . ILE Cxp C 149 ? 7.726  8.921   88.546  1   103.336 ? 577 C 1 .
ATOM 4797 C  C    . ILE Cxp C 149 ? 6.224  8.79    88.734  1   128.919 ? 577 C 1 .
ATOM 4798 O  O    . ILE Cxp C 149 ? 5.788  7.715   89.161  1   131.855 ? 577 C 1 .
ATOM 4799 C  CB   . ILE Cxp C 149 ? 8.401  9.102   89.916  1   85.514  ? 577 C 1 .
ATOM 4800 C  CG1  . ILE Cxp C 149 ? 7.91   10.326  90.635  1   89.951  ? 577 C 1 .
ATOM 4801 C  CG2  . ILE Cxp C 149 ? 9.917  9.153   89.787  1   88.51   ? 577 C 1 .
ATOM 4802 C  CD1  . ILE Cxp C 149 ? 8.384  10.399  92.066  1   95.004  ? 577 C 1 .
ATOM 4803 H  H    . ILE Cxp C 149 ? 8.084  10.866  87.944  1   100.927 ? 577 C 1 c
ATOM 4804 H  HA   . ILE Cxp C 149 ? 8.058  8.088   88.157  1   104.08  ? 577 C 1 c
ATOM 4805 H  HB   . ILE Cxp C 149 ? 8.173  8.325   90.464  1   90.178  ? 577 C 1 c
ATOM 4806 H  HG12 . ILE Cxp C 149 ? 6.932  10.332  90.628  1   90.405  ? 577 C 1 c
ATOM 4807 H  HG13 . ILE Cxp C 149 ? 8.22   11.122  90.159  1   90.034  ? 577 C 1 c
ATOM 4808 H  HG21 . ILE Cxp C 149 ? 10.324 8.919   90.638  1   87.827  ? 577 C 1 c
ATOM 4809 H  HG22 . ILE Cxp C 149 ? 10.194 10.049  89.533  1   87.703  ? 577 C 1 c
ATOM 4810 H  HG23 . ILE Cxp C 149 ? 10.207 8.521   89.108  1   87.714  ? 577 C 1 c
ATOM 4811 H  HD11 . ILE Cxp C 149 ? 8.39   9.506   92.459  1   93.428  ? 577 C 1 c
ATOM 4812 H  HD12 . ILE Cxp C 149 ? 7.783  10.973  92.578  1   93.481  ? 577 C 1 c
ATOM 4813 H  HD13 . ILE Cxp C 149 ? 9.286  10.77   92.092  1   93.556  ? 577 C 1 c
ATOM 4814 N  N    . LYS Cxp C 150 ? 5.494  9.893   88.461  1   135.59  ? 578 C 1 .
ATOM 4815 C  CA   . LYS Cxp C 150 ? 4.122  10.07   88.906  1   131.37  ? 578 C 1 .
ATOM 4816 C  C    . LYS Cxp C 150 ? 3.315  9.017   88.173  1   158.91  ? 578 C 1 .
ATOM 4817 O  O    . LYS Cxp C 150 ? 3.788  8.543   87.14   1   137.397 ? 578 C 1 .
ATOM 4818 C  CB   . LYS Cxp C 150 ? 3.567  11.45   88.546  1   147.296 ? 578 C 1 .
ATOM 4819 C  CG   . LYS Cxp C 150 ? 3.489  11.692  87.024  1   168.683 ? 578 C 1 .
ATOM 4820 C  CD   . LYS Cxp C 150 ? 2.73   12.928  86.547  1   170.209 ? 578 C 1 .
ATOM 4821 C  CE   . LYS Cxp C 150 ? 2.5    12.796  85.08   1   178.031 ? 578 C 1 .
ATOM 4822 N  NZ   . LYS Cxp C 150 ? 1.845  13.975  84.524  1   177.732 ? 578 C 1 .
ATOM 4823 H  H    . LYS Cxp C 150 ? 5.876  10.563  87.972  1   132.71  ? 578 C 1 c
ATOM 4824 H  HA   . LYS Cxp C 150 ? 4.073  9.912   89.883  1   140.029 ? 578 C 1 c
ATOM 4825 H  HB3  . LYS Cxp C 150 ? 4.132  12.141  88.951  1   147.569 ? 578 C 1 c
ATOM 4826 H  HB2  . LYS Cxp C 150 ? 2.666  11.54   88.924  1   147.892 ? 578 C 1 c
ATOM 4827 H  HG3  . LYS Cxp C 150 ? 3.071  10.905  86.614  1   163.744 ? 578 C 1 c
ATOM 4828 H  HG2  . LYS Cxp C 150 ? 4.405  11.739  86.676  1   163.18  ? 578 C 1 c
ATOM 4829 H  HD3  . LYS Cxp C 150 ? 3.258  13.736  86.726  1   171.646 ? 578 C 1 c
ATOM 4830 H  HD2  . LYS Cxp C 150 ? 1.868  12.993  87.011  1   171.646 ? 578 C 1 c
ATOM 4831 H  HE3  . LYS Cxp C 150 ? 1.943  12.016  84.907  1   176.02  ? 578 C 1 c
ATOM 4832 H  HE2  . LYS Cxp C 150 ? 3.353  12.665  84.628  1   175.961 ? 578 C 1 c
ATOM 4833 H  HZ1  . LYS Cxp C 150 ? 2.379  14.699  84.628  1   177.813 ? 578 C 1 c
ATOM 4834 H  HZ2  . LYS Cxp C 150 ? 1.06   14.119  84.952  1   177.78  ? 578 C 1 c
ATOM 4835 H  HZ3  . LYS Cxp C 150 ? 1.684  13.848  83.641  1   177.813 ? 578 C 1 c
ATOM 4836 N  N    . SER Cxp C 151 ? 2.141  8.677   88.733  1   206.771 ? 579 C 1 .
ATOM 4837 C  CA   . SER Cxp C 151 ? 1.244  7.664   88.196  1   229.412 ? 579 C 1 .
ATOM 4838 C  C    . SER Cxp C 151 ? 0.709  8.088   86.827  1   283.954 ? 579 C 1 .
ATOM 4839 O  O    . SER Cxp C 151 ? 0.171  9.184   86.673  1   328.519 ? 579 C 1 .
ATOM 4840 C  CB   . SER Cxp C 151 ? 0.099  7.381   89.15   1   193.365 ? 579 C 1 .
ATOM 4841 O  OG   . SER Cxp C 151 ? 0.568  6.875   90.392  1   162.355 ? 579 C 1 .
ATOM 4842 H  H    . SER Cxp C 151 ? 1.889  9.109   89.498  1   197.624 ? 579 C 1 c
ATOM 4843 H  HA   . SER Cxp C 151 ? 1.764  6.829   88.08   1   227.238 ? 579 C 1 c
ATOM 4844 H  HB3  . SER Cxp C 151 ? -0.505 6.731   88.744  1   193.157 ? 579 C 1 c
ATOM 4845 H  HB2  . SER Cxp C 151 ? -0.402 8.205   89.305  1   192.836 ? 579 C 1 c
ATOM 4846 H  HG   . SER Cxp C 151 ? -0.046 6.088   90.624  0   180     ? 579 C 1 c
ATOM 4847 N  N    . GLU Cxp C 152 ? 0.845  7.187   85.844  1   292.848 ? 580 C 1 .
ATOM 4848 C  CA   . GLU Cxp C 152 ? 0.393  7.446   84.486  1   253.769 ? 580 C 1 .
ATOM 4849 C  C    . GLU Cxp C 152 ? 0.041  6.118   83.792  1   250.551 ? 580 C 1 .
ATOM 4850 O  O    . GLU Cxp C 152 ? -0.48  6.204   82.662  1   205.737 ? 580 C 1 .
ATOM 4851 C  CB   . GLU Cxp C 152 ? 1.437  8.248   83.702  1   239.208 ? 580 C 1 .
ATOM 4852 C  CG   . GLU Cxp C 152 ? 2.852  7.671   83.767  1   219.726 ? 580 C 1 .
ATOM 4853 C  CD   . GLU Cxp C 152 ? 3.923  8.57    83.161  1   178.457 ? 580 C 1 .
ATOM 4854 O  OE1  . GLU Cxp C 152 ? 3.967  8.649   81.905  1   133.357 ? 580 C 1 .
ATOM 4855 O  OE2  . GLU Cxp C 152 ? 4.683  9.187   83.954  1   116.876 ? 580 C 1 .
ATOM 4856 O  OXT  . GLU Cxp C 152 ? 0.276  5.05    84.406  1   295.235 ? 580 C 1 .
ATOM 4857 H  H    . GLU Cxp C 152 ? 1.234  6.381   86.028  1   280.288 ? 580 C 1 c
ATOM 4858 H  HA   . GLU Cxp C 152 ? -0.433 7.991   84.536  1   258.055 ? 580 C 1 c
ATOM 4859 H  HB3  . GLU Cxp C 152 ? 1.455  9.163   84.051  1   237.761 ? 580 C 1 c
ATOM 4860 H  HB2  . GLU Cxp C 152 ? 1.158  8.293   82.763  1   237.615 ? 580 C 1 c
ATOM 4861 H  HG3  . GLU Cxp C 152 ? 2.867  6.81    83.297  1   213.588 ? 580 C 1 c
ATOM 4862 H  HG2  . GLU Cxp C 152 ? 3.086  7.5     84.704  1   213.098 ? 580 C 1 c



loop_
_struct_mon_prot_cis.pdbx_id
_struct_mon_prot_cis.pdbx_PDB_model_num
_struct_mon_prot_cis.label_asym_id
_struct_mon_prot_cis.label_seq_id
_struct_mon_prot_cis.label_comp_id
_struct_mon_prot_cis.auth_asym_id
_struct_mon_prot_cis.auth_seq_id
_struct_mon_prot_cis.pdbx_PDB_ins_code
_struct_mon_prot_cis.pdbx_label_asym_id_2
_struct_mon_prot_cis.pdbx_label_seq_id_2
_struct_mon_prot_cis.pdbx_label_comp_id_2
_struct_mon_prot_cis.pdbx_auth_asym_id_2
_struct_mon_prot_cis.pdbx_auth_seq_id_2
_struct_mon_prot_cis.pdbx_PDB_ins_code_2
_struct_mon_prot_cis.label_alt_id
_struct_mon_prot_cis.pdbx_omega_angle
1 1 Axp 127 GLY A 555 ? Axp 128 GLU A 556 ? . 0.0346051912
2 1 Cxp 127 GLY C 555 ? Cxp 128 GLU C 556 ? . 0.0527934687

data_MSE
_chem_comp.id                     MSE
_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
MSE N   N  NT3 1
MSE CA  C  CH1 0
MSE C   C  C   0
MSE O   O  O   0
MSE OXT O  OC  -1
MSE CB  C  CH2 0
MSE CG  C  CH2 0
MSE SE  Se SE  0
MSE CE  C  CH3 0
MSE H   H  H   0
MSE H2  H  H   0
MSE H3  H  H   0
MSE HA  H  H   0
MSE HB2 H  H   0
MSE HB3 H  H   0
MSE HG2 H  H   0
MSE HG3 H  H   0
MSE HE1 H  H   0
MSE HE2 H  H   0
MSE HE3 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
MSE N  CA  single n 1.488 0.01   1.488 0.01
MSE CA C   single n 1.533 0.01   1.533 0.01
MSE CA CB  single n 1.532 0.01   1.532 0.01
MSE C  O   double n 1.247 0.0187 1.247 0.0187
MSE C  OXT single n 1.247 0.0187 1.247 0.0187
MSE CB CG  single n 1.514 0.02   1.514 0.02
MSE CG SE  single n 1.963 0.02   1.963 0.02
MSE SE CE  single n 1.963 0.02   1.963 0.02
MSE N  H   single n 0.911 0.02   1.036 0.016
MSE N  H2  single n 0.911 0.02   1.036 0.016
MSE N  H3  single n 0.911 0.02   1.036 0.016
MSE CA HA  single n 0.985 0.02   1.089 0.01
MSE CB HB2 single n 0.954 0.02   1.089 0.01
MSE CB HB3 single n 0.954 0.02   1.089 0.01
MSE CG HG2 single n 0.981 0.0167 1.089 0.01
MSE CG HG3 single n 0.981 0.0167 1.089 0.01
MSE CE HE1 single n 0.97  0.0162 1.089 0.01
MSE CE HE2 single n 0.97  0.0162 1.089 0.01
MSE CE HE3 single n 0.97  0.0162 1.089 0.01

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
MSE CA  N  H   110.062 1.93
MSE CA  N  H2  110.062 1.93
MSE CA  N  H3  110.062 1.93
MSE H   N  H2  109.028 2.41
MSE H   N  H3  109.028 2.41
MSE H2  N  H3  109.028 2.41
MSE N   CA C   109.241 1.5
MSE N   CA CB  110.245 1.51
MSE N   CA HA  108.487 1.5
MSE C   CA CB  110.728 2.07
MSE C   CA HA  108.824 1.5
MSE CB  CA HA  109.207 1.5
MSE CA  C  O   117.124 1.5
MSE CA  C  OXT 117.124 1.5
MSE O   C  OXT 125.752 1.5
MSE CA  CB CG  113.897 1.5
MSE CA  CB HB2 108.567 1.5
MSE CA  CB HB3 108.567 1.5
MSE CG  CB HB2 108.056 1.5
MSE CG  CB HB3 108.056 1.5
MSE HB2 CB HB3 107.715 1.5
MSE CB  CG SE  111.593 3
MSE CB  CG HG2 109.535 1.63
MSE CB  CG HG3 109.535 1.63
MSE SE  CG HG2 109.134 1.5
MSE SE  CG HG3 109.134 1.5
MSE HG2 CG HG3 108.011 1.5
MSE CG  SE CE  98.689  1.5
MSE SE  CE HE1 109.134 1.5
MSE SE  CE HE2 109.134 1.5
MSE SE  CE HE3 109.134 1.5
MSE HE1 CE HE2 109.29  1.5
MSE HE1 CE HE3 109.29  1.5
MSE HE2 CE HE3 109.29  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
MSE sp3_sp3_1  C   CA N  H  180 10 3
MSE sp2_sp3_1  O   C  CA N  0   10 6
MSE sp3_sp3_10 N   CA CB CG 180 10 3
MSE sp3_sp3_19 CA  CB CG SE 180 10 3
MSE sp3_sp3_28 CB  CG SE CE 180 10 3
MSE sp3_sp3_31 HE1 CE SE CG 180 10 3

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
MSE 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
MSE plan-1 C   0.02
MSE plan-1 CA  0.02
MSE plan-1 O   0.02
MSE 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_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_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_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_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_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_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_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_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_LYS
_chem_comp.id                     LYS
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
LYS N   N NT3 1
LYS CA  C CH1 0
LYS C   C C   0
LYS O   O O   0
LYS CB  C CH2 0
LYS CG  C CH2 0
LYS CD  C CH2 0
LYS CE  C CH2 0
LYS NZ  N NT3 1
LYS OXT O OC  -1
LYS H   H H   0
LYS H2  H H   0
LYS H3  H H   0
LYS HA  H H   0
LYS HB3 H H   0
LYS HB2 H H   0
LYS HG3 H H   0
LYS HG2 H H   0
LYS HD3 H H   0
LYS HD2 H H   0
LYS HE3 H H   0
LYS HE2 H H   0
LYS HZ1 H H   0
LYS HZ2 H H   0
LYS HZ3 H H   0

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
LYS N  CA  single n 1.487 0.01   1.487 0.01
LYS CA C   single n 1.538 0.0113 1.538 0.0113
LYS CA CB  single n 1.533 0.01   1.533 0.01
LYS C  O   double n 1.251 0.0183 1.251 0.0183
LYS C  OXT single n 1.251 0.0183 1.251 0.0183
LYS CB CG  single n 1.523 0.0189 1.523 0.0189
LYS CG CD  single n 1.524 0.0122 1.524 0.0122
LYS CD CE  single n 1.496 0.02   1.496 0.02
LYS CE NZ  single n 1.465 0.013  1.465 0.013
LYS N  H   single n 0.902 0.0102 1.018 0.052
LYS N  H2  single n 0.902 0.0102 1.018 0.052
LYS N  H3  single n 0.902 0.0102 1.018 0.052
LYS CA HA  single n 0.991 0.02   1.092 0.01
LYS CB HB3 single n 0.981 0.0141 1.092 0.01
LYS CB HB2 single n 0.981 0.0141 1.092 0.01
LYS CG HG3 single n 0.982 0.0163 1.092 0.01
LYS CG HG2 single n 0.982 0.0163 1.092 0.01
LYS CD HD3 single n 0.982 0.0163 1.092 0.01
LYS CD HD2 single n 0.982 0.0163 1.092 0.01
LYS CE HE3 single n 0.974 0.0147 1.092 0.01
LYS CE HE2 single n 0.974 0.0147 1.092 0.01
LYS NZ HZ1 single n 0.906 0.02   1.018 0.052
LYS NZ HZ2 single n 0.906 0.02   1.018 0.052
LYS NZ HZ3 single n 0.906 0.02   1.018 0.052

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
LYS CA  N  H   109.99  3
LYS CA  N  H2  109.99  3
LYS CA  N  H3  109.99  3
LYS H   N  H2  109.032 3
LYS H   N  H3  109.032 3
LYS H2  N  H3  109.032 3
LYS N   CA C   109.258 1.5
LYS N   CA CB  110.44  2.46
LYS N   CA HA  108.387 1.58
LYS C   CA CB  111.059 3
LYS C   CA HA  108.774 1.79
LYS CB  CA HA  109.08  2.33
LYS CA  C  O   117.148 1.6
LYS CA  C  OXT 117.148 1.6
LYS O   C  OXT 125.704 1.5
LYS CA  CB CG  115.148 2.35
LYS CA  CB HB3 108.677 1.74
LYS CA  CB HB2 108.677 1.74
LYS CG  CB HB3 108.413 1.5
LYS CG  CB HB2 108.413 1.5
LYS HB3 CB HB2 107.655 1.5
LYS CB  CG CD  113.403 3
LYS CB  CG HG3 108.381 1.5
LYS CB  CG HG2 108.381 1.5
LYS CD  CG HG3 108.819 1.5
LYS CD  CG HG2 108.819 1.5
LYS HG3 CG HG2 107.566 1.82
LYS CG  CD CE  112.541 3
LYS CG  CD HD3 108.993 1.92
LYS CG  CD HD2 108.993 1.92
LYS CE  CD HD3 109.016 1.5
LYS CE  CD HD2 109.016 1.5
LYS HD3 CD HD2 107.958 2.23
LYS CD  CE NZ  111.716 3
LYS CD  CE HE3 109.468 2.65
LYS CD  CE HE2 109.468 2.65
LYS NZ  CE HE3 108.972 2.23
LYS NZ  CE HE2 108.972 2.23
LYS HE3 CE HE2 108.144 2.57
LYS CE  NZ HZ1 109.659 3
LYS CE  NZ HZ2 109.659 3
LYS CE  NZ HZ3 109.659 3
LYS HZ1 NZ HZ2 109.089 3
LYS HZ1 NZ HZ3 109.089 3
LYS HZ2 NZ HZ3 109.089 3

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
LYS chi1      N  CA CB CG  -60 10 3
LYS chi2      CA CB CG CD  180 10 3
LYS chi3      CB CG CD CE  180 10 3
LYS chi4      CG CD CE NZ  180 10 3
LYS hh1       CD CE NZ HZ3 180 10 3
LYS sp3_sp3_1 C  CA N  H   180 10 3
LYS sp2_sp3_1 O  C  CA N   0   10 6

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

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

data_VAL
_chem_comp.id                     VAL
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
VAL N    N NT3 1
VAL CA   C CH1 0
VAL C    C C   0
VAL O    O O   0
VAL CB   C CH1 0
VAL CG1  C CH3 0
VAL CG2  C CH3 0
VAL OXT  O OC  -1
VAL H    H H   0
VAL H2   H H   0
VAL H3   H H   0
VAL HA   H H   0
VAL HB   H H   0
VAL HG11 H H   0
VAL HG12 H H   0
VAL HG13 H H   0
VAL HG21 H H   0
VAL HG22 H H   0
VAL HG23 H H   0

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
VAL N   CA   single n 1.495 0.01   1.495 0.01
VAL CA  C    single n 1.538 0.01   1.538 0.01
VAL CA  CB   single n 1.541 0.0101 1.541 0.0101
VAL C   O    double n 1.251 0.0183 1.251 0.0183
VAL C   OXT  single n 1.251 0.0183 1.251 0.0183
VAL CB  CG1  single n 1.524 0.0131 1.524 0.0131
VAL CB  CG2  single n 1.524 0.0131 1.524 0.0131
VAL N   H    single n 0.902 0.0102 1.018 0.052
VAL N   H2   single n 0.902 0.0102 1.018 0.052
VAL N   H3   single n 0.902 0.0102 1.018 0.052
VAL CA  HA   single n 0.977 0.02   1.092 0.01
VAL CB  HB   single n 0.986 0.0184 1.092 0.01
VAL CG1 HG11 single n 0.972 0.0156 1.092 0.01
VAL CG1 HG12 single n 0.972 0.0156 1.092 0.01
VAL CG1 HG13 single n 0.972 0.0156 1.092 0.01
VAL CG2 HG21 single n 0.972 0.0156 1.092 0.01
VAL CG2 HG22 single n 0.972 0.0156 1.092 0.01
VAL CG2 HG23 single n 0.972 0.0156 1.092 0.01

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
VAL CA   N   H    109.99  2.8
VAL CA   N   H2   109.99  2.8
VAL CA   N   H3   109.99  2.8
VAL H    N   H2   109.032 3
VAL H    N   H3   109.032 3
VAL H2   N   H3   109.032 3
VAL N    CA  C    108.738 1.5
VAL N    CA  CB   111.627 2.88
VAL N    CA  HA   108.328 1.5
VAL C    CA  CB   111.231 1.5
VAL C    CA  HA   108.55  1.5
VAL CB   CA  HA   108.536 1.5
VAL CA   C   O    117.155 1.5
VAL CA   C   OXT  117.155 1.5
VAL O    C   OXT  125.69  1.5
VAL CA   CB  CG1  111.834 1.5
VAL CA   CB  CG2  111.834 1.5
VAL CA   CB  HB   107.069 1.5
VAL CG1  CB  CG2  110.7   1.76
VAL CG1  CB  HB   107.681 2.06
VAL CG2  CB  HB   107.681 2.06
VAL CB   CG1 HG11 109.51  1.5
VAL CB   CG1 HG12 109.51  1.5
VAL CB   CG1 HG13 109.51  1.5
VAL HG11 CG1 HG12 109.39  1.5
VAL HG11 CG1 HG13 109.39  1.5
VAL HG12 CG1 HG13 109.39  1.5
VAL CB   CG2 HG21 109.51  1.5
VAL CB   CG2 HG22 109.51  1.5
VAL CB   CG2 HG23 109.51  1.5
VAL HG21 CG2 HG22 109.39  1.5
VAL HG21 CG2 HG23 109.39  1.5
VAL HG22 CG2 HG23 109.39  1.5

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
VAL chi1      N  CA CB  CG2  -60 10 3
VAL hh1       CA CB CG1 HG13 180 10 3
VAL hh2       CA CB CG2 HG23 -60 10 3
VAL sp3_sp3_1 C  CA N   H    180 10 3
VAL sp2_sp3_1 O  C  CA  N    0   10 6

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
VAL chir_1 CA N  C   CB  positive
VAL chir_2 CB CA CG1 CG2 both

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

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

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

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

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

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

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

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

data_HIS
_chem_comp.id                     HIS
_chem_comp.group                  peptide

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

data_link_CIS
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
CIS 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
CIS 1 CA 1 C 2 N  115.917 1.50
CIS 1 O  1 C 2 N  123.469 1.50
CIS 1 C  2 N 2 CA 122.095 1.76
CIS 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
CIS psi   1 N  1 CA 1 C  2 N  160.00 30.0 2
CIS omega 1 CA 1 C  2 N  2 CA 0.00   5.0  0
CIS 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
CIS plan-1 1 CA 0.020
CIS plan-1 1 C  0.020
CIS plan-1 2 N  0.020
CIS plan-1 1 O  0.020
CIS plan-2 2 CA 0.020
CIS plan-2 1 C  0.020
CIS plan-2 2 H  0.020
CIS 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
CIS CIS ? DEL-OXT peptide ? DEL-HN1 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
