data_2fdq
_entry.id                         2fdq

_cell.entry_id                    2fdq
_cell.length_a                    49.11
_cell.length_b                    49.11
_cell.length_c                    130.48
_cell.angle_alpha                 90
_cell.angle_beta                  90
_cell.angle_gamma                 90

_symmetry.entry_id                2fdq
_symmetry.space_group_name_H-M    "P 41"
_symmetry.Int_Tables_number       76

loop_
_entity.id
_entity.type
A polymer
B polymer
C polymer

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
A 1  SER ?
A 2  GLN ?
A 3  ALA ?
A 4  GLU ?
A 5  PHE ?
A 6  ASP ?
A 7  LYS ?
A 8  ALA ?
A 9  ALA ?
A 10 GLU ?
A 11 GLU ?
A 12 VAL ?
A 13 LYS ?
A 14 ASN ?
A 15 LEU ?
A 16 LYS ?
A 17 THR ?
A 18 LYS ?
A 19 PRO ?
A 20 ALA ?
A 21 ASP ?
A 22 ASP ?
A 23 GLU ?
A 24 MET ?
A 25 LEU ?
A 26 PHE ?
A 27 ILE ?
A 28 TYR ?
A 29 SER ?
A 30 HIS ?
A 31 TYR ?
A 32 LYS ?
A 33 GLN ?
A 34 ALA ?
A 35 THR ?
A 36 VAL ?
A 37 GLY ?
A 38 ASP ?
A 39 ILE ?
A 40 ASN ?
A 41 THR ?
A 42 GLU ?
A 43 ARG ?
A 44 PRO ?
A 45 GLY ?
A 46 MET ?
A 47 LEU ?
A 48 ASP ?
A 49 PHE ?
A 50 LYS ?
A 51 GLY ?
A 52 LYS ?
A 53 ALA ?
A 54 LYS ?
A 55 TRP ?
A 56 ASP ?
A 57 ALA ?
A 58 TRP ?
A 59 ASN ?
A 60 GLN ?
A 61 LEU ?
A 62 LYS ?
A 63 GLY ?
A 64 THR ?
A 65 SER ?
A 66 LYS ?
A 67 GLU ?
A 68 ASP ?
A 69 ALA ?
A 70 MET ?
A 71 LYS ?
A 72 SER ?
A 73 TYR ?
A 74 ILE ?
A 75 ASP ?
A 76 LYS ?
A 77 VAL ?
A 78 GLU ?
A 79 GLU ?
A 80 LEU ?
A 81 LYS ?
A 82 LYS ?
A 83 LYS ?
A 84 TYR ?
A 85 GLY ?
A 86 ILE ?
B 1  SER ?
B 2  GLN ?
B 3  ALA ?
B 4  GLU ?
B 5  PHE ?
B 6  ASP ?
B 7  LYS ?
B 8  ALA ?
B 9  ALA ?
B 10 GLU ?
B 11 GLU ?
B 12 VAL ?
B 13 LYS ?
B 14 ASN ?
B 15 LEU ?
B 16 LYS ?
B 17 THR ?
B 18 LYS ?
B 19 PRO ?
B 20 ALA ?
B 21 ASP ?
B 22 ASP ?
B 23 GLU ?
B 24 MET ?
B 25 LEU ?
B 26 PHE ?
B 27 ILE ?
B 28 TYR ?
B 29 SER ?
B 30 HIS ?
B 31 TYR ?
B 32 LYS ?
B 33 GLN ?
B 34 ALA ?
B 35 THR ?
B 36 VAL ?
B 37 GLY ?
B 38 ASP ?
B 39 ILE ?
B 40 ASN ?
B 41 THR ?
B 42 GLU ?
B 43 ARG ?
B 44 PRO ?
B 45 GLY ?
B 46 MET ?
B 47 LEU ?
B 48 ASP ?
B 49 PHE ?
B 50 LYS ?
B 51 GLY ?
B 52 LYS ?
B 53 ALA ?
B 54 LYS ?
B 55 TRP ?
B 56 ASP ?
B 57 ALA ?
B 58 TRP ?
B 59 ASN ?
B 60 GLN ?
B 61 LEU ?
B 62 LYS ?
B 63 GLY ?
B 64 THR ?
B 65 SER ?
B 66 LYS ?
B 67 GLU ?
B 68 ASP ?
B 69 ALA ?
B 70 MET ?
B 71 LYS ?
B 72 SER ?
B 73 TYR ?
B 74 ILE ?
B 75 ASP ?
B 76 LYS ?
B 77 VAL ?
B 78 GLU ?
B 79 GLU ?
B 80 LEU ?
B 81 LYS ?
B 82 LYS ?
B 83 LYS ?
B 84 TYR ?
B 85 GLY ?
B 86 ILE ?
C 1  SER ?
C 2  GLN ?
C 3  ALA ?
C 4  GLU ?
C 5  PHE ?
C 6  ASP ?
C 7  LYS ?
C 8  ALA ?
C 9  ALA ?
C 10 GLU ?
C 11 GLU ?
C 12 VAL ?
C 13 LYS ?
C 14 ASN ?
C 15 LEU ?
C 16 LYS ?
C 17 THR ?
C 18 LYS ?
C 19 PRO ?
C 20 ALA ?
C 21 ASP ?
C 22 ASP ?
C 23 GLU ?
C 24 MET ?
C 25 LEU ?
C 26 PHE ?
C 27 ILE ?
C 28 TYR ?
C 29 SER ?
C 30 HIS ?
C 31 TYR ?
C 32 LYS ?
C 33 GLN ?
C 34 ALA ?
C 35 THR ?
C 36 VAL ?
C 37 GLY ?
C 38 ASP ?
C 39 ILE ?
C 40 ASN ?
C 41 THR ?
C 42 GLU ?
C 43 ARG ?
C 44 PRO ?
C 45 GLY ?
C 46 MET ?
C 47 LEU ?
C 48 ASP ?
C 49 PHE ?
C 50 LYS ?
C 51 GLY ?
C 52 LYS ?
C 53 ALA ?
C 54 LYS ?
C 55 TRP ?
C 56 ASP ?
C 57 ALA ?
C 58 TRP ?
C 59 ASN ?
C 60 GLN ?
C 61 LEU ?
C 62 LYS ?
C 63 GLY ?
C 64 THR ?
C 65 SER ?
C 66 LYS ?
C 67 GLU ?
C 68 ASP ?
C 69 ALA ?
C 70 MET ?
C 71 LYS ?
C 72 SER ?
C 73 TYR ?
C 74 ILE ?
C 75 ASP ?
C 76 LYS ?
C 77 VAL ?
C 78 GLU ?
C 79 GLU ?
C 80 LEU ?
C 81 LYS ?
C 82 LYS ?
C 83 LYS ?
C 84 TYR ?
C 85 GLY ?
C 86 ILE ?

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                40.392
_refine.aniso_B[1][1]             0.605
_refine.aniso_B[2][2]             0.605
_refine.aniso_B[3][3]             -1.209
_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             3.498
_refine.ls_d_res_low              24.567
_refine.ls_number_reflns_R_work   3724
_refine.ls_number_reflns_R_free   177
_refine.ls_number_reflns_obs      3901
_refine.ls_R_factor_R_work        0.1537
_refine.ls_R_factor_R_free        0.1933
_refine.ls_R_factor_all           0.156
_refine.ls_wR_factor_R_work       0.142
_refine.ls_wR_factor_R_free       0.171
_refine.ls_percent_reflns_obs     99.490
_refine.ls_percent_reflns_R_free  4.537
_refine.correlation_coeff_Fo_to_Fc 0.948
_refine.correlation_coeff_Fo_to_Fc_free 0.934
_refine.pdbx_overall_ESU_R        ?
_refine.pdbx_overall_ESU_R_Free   0.515
_refine.overall_SU_ML             0.387
_refine.overall_SU_B              24.059
_refine.pdbx_average_fsc_overall  ?
_refine.pdbx_average_fsc_work     0.9851
_refine.pdbx_average_fsc_free     0.9715
_refine.entry_id                  2fdq
_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 24.567 13.291 68  100.0000 64  0.121 0.116 4  0.077 0.145 0.991 0.999 "X-RAY DIFFRACTION"
20 13.291 10.172 86  100.0000 82  0.146 0.145 4  0.111 0.157 0.990 0.993 "X-RAY DIFFRACTION"
20 10.172 8.553  112 100.0000 109 0.117 0.116 3  0.060 0.116 0.993 0.999 "X-RAY DIFFRACTION"
20 8.553  7.522  132 100.0000 125 0.127 0.129 7  0.153 0.131 0.991 0.985 "X-RAY DIFFRACTION"
20 7.522  6.792  138 100.0000 128 0.171 0.169 10 0.155 0.155 0.982 0.985 "X-RAY DIFFRACTION"
20 6.792  6.240  159 100.0000 153 0.169 0.169 6  0.158 0.153 0.982 0.988 "X-RAY DIFFRACTION"
20 6.240  5.804  162 100.0000 158 0.192 0.195 4  0.301 0.164 0.979 0.960 "X-RAY DIFFRACTION"
20 5.804  5.448  173 100.0000 166 0.198 0.198 7  0.203 0.179 0.977 0.983 "X-RAY DIFFRACTION"
20 5.448  5.151  204 100.0000 193 0.175 0.186 11 0.386 0.157 0.981 0.918 "X-RAY DIFFRACTION"
20 5.151  4.897  192 100.0000 185 0.162 0.165 7  0.280 0.148 0.985 0.969 "X-RAY DIFFRACTION"
20 4.897  4.678  222 100.0000 208 0.141 0.143 14 0.159 0.129 0.987 0.985 "X-RAY DIFFRACTION"
20 4.678  4.485  201 100.0000 187 0.139 0.144 14 0.220 0.131 0.988 0.971 "X-RAY DIFFRACTION"
20 4.485  4.315  239 100.0000 233 0.136 0.136 6  0.127 0.123 0.988 0.993 "X-RAY DIFFRACTION"
20 4.315  4.163  245 100.0000 240 0.155 0.156 5  0.172 0.138 0.984 0.988 "X-RAY DIFFRACTION"
20 4.163  4.025  244 100.0000 230 0.161 0.164 14 0.211 0.142 0.984 0.974 "X-RAY DIFFRACTION"
20 4.025  3.901  256 100.0000 247 0.151 0.156 9  0.307 0.130 0.986 0.940 "X-RAY DIFFRACTION"
20 3.901  3.787  238 100.0000 229 0.148 0.148 9  0.156 0.135 0.988 0.987 "X-RAY DIFFRACTION"
20 3.787  3.683  288 100.0000 268 0.146 0.152 20 0.238 0.125 0.987 0.972 "X-RAY DIFFRACTION"
20 3.683  3.587  288 98.2639  267 0.163 0.166 16 0.221 0.142 0.984 0.958 "X-RAY DIFFRACTION"
20 3.587  3.498  264 98.1061  252 0.169 0.171 7  0.218 0.144 0.983 0.957 "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             2127 0.007  0.012  "X-RAY DIFFRACTION"
r_bond_other_d               2037 0.001  0.016  "X-RAY DIFFRACTION"
r_angle_refined_deg          2844 1.733  1.859  "X-RAY DIFFRACTION"
r_angle_other_deg            4749 0.525  1.837  "X-RAY DIFFRACTION"
r_dihedral_angle_1_deg       255  4.762  5.000  "X-RAY DIFFRACTION"
r_dihedral_angle_2_deg       3    6.659  5.000  "X-RAY DIFFRACTION"
r_dihedral_angle_3_deg       432  14.192 10.000 "X-RAY DIFFRACTION"
r_dihedral_angle_6_deg       99   15.156 10.000 "X-RAY DIFFRACTION"
r_chiral_restr               291  0.061  0.200  "X-RAY DIFFRACTION"
r_gen_planes_refined         2409 0.007  0.020  "X-RAY DIFFRACTION"
r_gen_planes_other           435  0.002  0.020  "X-RAY DIFFRACTION"
r_nbd_refined                709  0.293  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbd_other         2181 0.215  0.200  "X-RAY DIFFRACTION"
r_nbtor_refined              1112 0.204  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbtor_other       1136 0.085  0.200  "X-RAY DIFFRACTION"
r_xyhbond_nbd_refined        111  0.175  0.200  "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_other 3    0.058  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbd_refined       4    0.062  0.200  "X-RAY DIFFRACTION"
r_nbd_other                  33   0.166  0.200  "X-RAY DIFFRACTION"
r_mcbond_it                  1029 3.299  3.688  "X-RAY DIFFRACTION"
r_mcbond_other               1029 3.299  3.688  "X-RAY DIFFRACTION"
r_mcangle_it                 1281 5.342  6.601  "X-RAY DIFFRACTION"
r_mcangle_other              1282 5.340  6.601  "X-RAY DIFFRACTION"
r_scbond_it                  1098 4.491  4.082  "X-RAY DIFFRACTION"
r_scbond_other               1099 4.489  4.082  "X-RAY DIFFRACTION"
r_scangle_it                 1563 7.315  7.240  "X-RAY DIFFRACTION"
r_scangle_other              1564 7.312  7.240  "X-RAY DIFFRACTION"
r_lrange_it                  9405 10.851 43.480 "X-RAY DIFFRACTION"
r_lrange_other               9406 10.851 43.479 "X-RAY DIFFRACTION"

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

loop_
_atom_type.symbol
_atom_type.pdbx_scat_Z
_atom_type.pdbx_N_electrons
_atom_type.scat_Cromer_Mann_a1
_atom_type.scat_Cromer_Mann_b1
_atom_type.scat_Cromer_Mann_a2
_atom_type.scat_Cromer_Mann_b2
_atom_type.scat_Cromer_Mann_a3
_atom_type.scat_Cromer_Mann_b3
_atom_type.scat_Cromer_Mann_a4
_atom_type.scat_Cromer_Mann_b4
_atom_type.scat_Cromer_Mann_c
N 7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379
C 6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156
O 8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508
H 1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030
S 16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.1842

_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    . SER Axp A 1  ? 23.448  33.971 109.585 1 73.615  ? 1  A 1 .
ATOM 2    C CA   . SER Axp A 1  ? 22.51   34.915 110.243 1 76.258  ? 1  A 1 .
ATOM 3    C C    . SER Axp A 1  ? 22.633  34.844 111.762 1 74.382  ? 1  A 1 .
ATOM 4    O O    . SER Axp A 1  ? 22.229  35.791 112.431 1 83.772  ? 1  A 1 .
ATOM 5    C CB   . SER Axp A 1  ? 21.096  34.658 109.809 1 77.535  ? 1  A 1 .
ATOM 6    O OG   . SER Axp A 1  ? 21.042  34.451 108.406 1 82.175  ? 1  A 1 .
ATOM 7    H H    . SER Axp A 1  ? 23.487  34.16  108.704 1 74.328  ? 1  A 1 c
ATOM 8    H H2   . SER Axp A 1  ? 23.159  33.122 109.682 1 74.188  ? 1  A 1 c
ATOM 9    H H3   . SER Axp A 1  ? 24.276  34.054 109.932 1 74.178  ? 1  A 1 c
ATOM 10   H HA   . SER Axp A 1  ? 22.757  35.828 109.961 1 75.549  ? 1  A 1 c
ATOM 11   H HB3  . SER Axp A 1  ? 20.538  35.422 110.049 1 78.314  ? 1  A 1 c
ATOM 12   H HB2  . SER Axp A 1  ? 20.752  33.869 110.269 1 78.297  ? 1  A 1 c
ATOM 13   H HG   . SER Axp A 1  ? 19.809  34.061 108.257 0 47      ? 1  A 1 c
ATOM 14   N N    . GLN Axp A 2  ? 23.157  33.725 112.286 1 59.772  ? 2  A 1 .
ATOM 15   C CA   . GLN Axp A 2  ? 23.14   33.465 113.711 1 55.3    ? 2  A 1 .
ATOM 16   C C    . GLN Axp A 2  ? 23.758  34.642 114.459 1 55.746  ? 2  A 1 .
ATOM 17   O O    . GLN Axp A 2  ? 23.152  35.167 115.394 1 61.313  ? 2  A 1 .
ATOM 18   C CB   . GLN Axp A 2  ? 23.864  32.147 113.958 1 58.807  ? 2  A 1 .
ATOM 19   C CG   . GLN Axp A 2  ? 24.13   31.814 115.426 1 63.57   ? 2  A 1 .
ATOM 20   C CD   . GLN Axp A 2  ? 22.903  31.364 116.194 1 65.3    ? 2  A 1 .
ATOM 21   O OE1  . GLN Axp A 2  ? 22.449  32.063 117.106 1 64.24   ? 2  A 1 .
ATOM 22   N NE2  . GLN Axp A 2  ? 22.353  30.205 115.838 1 60.22   ? 2  A 1 .
ATOM 23   H H    . GLN Axp A 2  ? 23.532  33.102 111.734 1 62.203  ? 2  A 1 c
ATOM 24   H HA   . GLN Axp A 2  ? 22.196  33.369 113.998 1 56.889  ? 2  A 1 c
ATOM 25   H HB3  . GLN Axp A 2  ? 24.721  32.171 113.484 1 59.044  ? 2  A 1 c
ATOM 26   H HB2  . GLN Axp A 2  ? 23.331  31.424 113.565 1 59.026  ? 2  A 1 c
ATOM 27   H HG3  . GLN Axp A 2  ? 24.506  32.601 115.872 1 62.803  ? 2  A 1 c
ATOM 28   H HG2  . GLN Axp A 2  ? 24.801  31.101 115.474 1 62.839  ? 2  A 1 c
ATOM 29   H HE21 . GLN Axp A 2  ? 21.535  30.001 116.115 1 61.761  ? 2  A 1 c
ATOM 30   H HE22 . GLN Axp A 2  ? 22.805  29.638 115.327 1 61.757  ? 2  A 1 c
ATOM 31   N N    . ALA Axp A 3  ? 24.952  35.064 114.025 1 52.58   ? 3  A 1 .
ATOM 32   C CA   . ALA Axp A 3  ? 25.647  36.186 114.645 1 52.583  ? 3  A 1 .
ATOM 33   C C    . ALA Axp A 3  ? 24.783  37.448 114.666 1 52.5    ? 3  A 1 .
ATOM 34   O O    . ALA Axp A 3  ? 24.664  38.146 115.672 1 46.017  ? 3  A 1 .
ATOM 35   C CB   . ALA Axp A 3  ? 26.913  36.45  113.888 1 51.965  ? 3  A 1 .
ATOM 36   H H    . ALA Axp A 3  ? 25.349  34.636 113.321 1 53.362  ? 3  A 1 c
ATOM 37   H HA   . ALA Axp A 3  ? 25.869  35.94  115.585 1 52.425  ? 3  A 1 c
ATOM 38   H HB3  . ALA Axp A 3  ? 27.395  37.186 114.303 1 52.149  ? 3  A 1 c
ATOM 39   H HB2  . ALA Axp A 3  ? 26.702  36.683 112.968 1 52.149  ? 3  A 1 c
ATOM 40   H HB1  . ALA Axp A 3  ? 27.472  35.655 113.898 1 52.149  ? 3  A 1 c
ATOM 41   N N    . GLU Axp A 4  ? 24.201  37.748 113.507 1 54.61   ? 4  A 1 .
ATOM 42   C CA   . GLU Axp A 4  ? 23.317  38.891 113.361 1 56.942  ? 4  A 1 .
ATOM 43   C C    . GLU Axp A 4  ? 22.189  38.774 114.374 1 55.535  ? 4  A 1 .
ATOM 44   O O    . GLU Axp A 4  ? 21.662  39.783 114.833 1 60.568  ? 4  A 1 .
ATOM 45   C CB   . GLU Axp A 4  ? 22.749  38.954 111.944 1 58.287  ? 4  A 1 .
ATOM 46   C CG   . GLU Axp A 4  ? 23.845  39.117 110.896 1 60.623  ? 4  A 1 .
ATOM 47   C CD   . GLU Axp A 4  ? 23.581  38.454 109.559 1 68.135  ? 4  A 1 .
ATOM 48   O OE1  . GLU Axp A 4  ? 22.398  38.163 109.242 1 67.73   ? 4  A 1 .
ATOM 49   O OE2  . GLU Axp A 4  ? 24.601  38.182 108.882 1 74.243  ? 4  A 1 .
ATOM 50   H H    . GLU Axp A 4  ? 24.353  37.214 112.781 1 54.686  ? 4  A 1 c
ATOM 51   H HA   . GLU Axp A 4  ? 23.834  39.716 113.547 1 56.458  ? 4  A 1 c
ATOM 52   H HB3  . GLU Axp A 4  ? 22.13   39.712 111.884 1 58.542  ? 4  A 1 c
ATOM 53   H HB2  . GLU Axp A 4  ? 22.238  38.137 111.77  1 58.725  ? 4  A 1 c
ATOM 54   H HG3  . GLU Axp A 4  ? 24.685  38.76  111.254 1 61.67   ? 4  A 1 c
ATOM 55   H HG2  . GLU Axp A 4  ? 23.987  40.075 110.739 1 61.715  ? 4  A 1 c
ATOM 56   N N    . PHE Axp A 5  ? 21.805  37.53  114.678 1 49.566  ? 5  A 1 .
ATOM 57   C CA   . PHE Axp A 5  ? 20.836  37.257 115.721 1 45.061  ? 5  A 1 .
ATOM 58   C C    . PHE Axp A 5  ? 21.471  37.583 117.067 1 41.397  ? 5  A 1 .
ATOM 59   O O    . PHE Axp A 5  ? 21.004  38.446 117.816 1 37.195  ? 5  A 1 .
ATOM 60   C CB   . PHE Axp A 5  ? 20.393  35.793 115.655 1 45.108  ? 5  A 1 .
ATOM 61   C CG   . PHE Axp A 5  ? 19.471  35.344 116.783 1 43.5    ? 5  A 1 .
ATOM 62   C CD1  . PHE Axp A 5  ? 18.15   35.786 116.829 1 43.4    ? 5  A 1 .
ATOM 63   C CD2  . PHE Axp A 5  ? 19.896  34.455 117.766 1 41.612  ? 5  A 1 .
ATOM 64   C CE1  . PHE Axp A 5  ? 17.283  35.377 117.837 1 40.336  ? 5  A 1 .
ATOM 65   C CE2  . PHE Axp A 5  ? 19.02   34.04  118.765 1 42.005  ? 5  A 1 .
ATOM 66   C CZ   . PHE Axp A 5  ? 17.718  34.497 118.795 1 40.075  ? 5  A 1 .
ATOM 67   H H    . PHE Axp A 5  ? 22.136  36.829 114.195 1 49.89   ? 5  A 1 c
ATOM 68   H HA   . PHE Axp A 5  ? 20.043  37.841 115.587 1 45.321  ? 5  A 1 c
ATOM 69   H HB3  . PHE Axp A 5  ? 21.189  35.224 115.659 1 44.858  ? 5  A 1 c
ATOM 70   H HB2  . PHE Axp A 5  ? 19.933  35.649 114.798 1 44.752  ? 5  A 1 c
ATOM 71   H HD1  . PHE Axp A 5  ? 17.842  36.385 116.167 1 42.624  ? 5  A 1 c
ATOM 72   H HD2  . PHE Axp A 5  ? 20.782  34.128 117.752 1 42.149  ? 5  A 1 c
ATOM 73   H HE1  . PHE Axp A 5  ? 16.394  35.693 117.852 1 40.997  ? 5  A 1 c
ATOM 74   H HE2  . PHE Axp A 5  ? 19.323  33.446 119.431 1 41.421  ? 5  A 1 c
ATOM 75   H HZ   . PHE Axp A 5  ? 17.135  34.223 119.485 1 40.604  ? 5  A 1 c
ATOM 76   N N    . ASP Axp A 6  ? 22.584  36.904 117.328 1 41.191  ? 6  A 1 .
ATOM 77   C CA   . ASP Axp A 6  ? 23.321  37.124 118.551 1 45.193  ? 6  A 1 .
ATOM 78   C C    . ASP Axp A 6  ? 23.515  38.618 118.733 1 48.945  ? 6  A 1 .
ATOM 79   O O    . ASP Axp A 6  ? 23.666  39.092 119.857 1 49.951  ? 6  A 1 .
ATOM 80   C CB   . ASP Axp A 6  ? 24.646  36.381 118.542 1 47.826  ? 6  A 1 .
ATOM 81   C CG   . ASP Axp A 6  ? 24.491  34.874 118.509 1 51.818  ? 6  A 1 .
ATOM 82   O OD1  . ASP Axp A 6  ? 23.625  34.395 119.24  1 62.429  ? 6  A 1 .
ATOM 83   O OD2  . ASP Axp A 6  ? 25.201  34.198 117.739 1 60.545  ? 6  A 1 .
ATOM 84   H H    . ASP Axp A 6  ? 22.897  36.294 116.724 1 42.355  ? 6  A 1 c
ATOM 85   H HA   . ASP Axp A 6  ? 22.781  36.786 119.301 1 45.596  ? 6  A 1 c
ATOM 86   H HB3  . ASP Axp A 6  ? 25.152  36.623 119.345 1 48.108  ? 6  A 1 c
ATOM 87   H HB2  . ASP Axp A 6  ? 25.166  36.657 117.759 1 48.176  ? 6  A 1 c
ATOM 88   N N    . LYS Axp A 7  ? 23.555  39.342 117.61  1 53.892  ? 7  A 1 .
ATOM 89   C CA   . LYS Axp A 7  ? 23.808  40.765 117.668 1 57.796  ? 7  A 1 .
ATOM 90   C C    . LYS Axp A 7  ? 22.499  41.476 117.974 1 54.423  ? 7  A 1 .
ATOM 91   O O    . LYS Axp A 7  ? 22.491  42.319 118.858 1 52.896  ? 7  A 1 .
ATOM 92   C CB   . LYS Axp A 7  ? 24.467  41.299 116.394 1 64.018  ? 7  A 1 .
ATOM 93   C CG   . LYS Axp A 7  ? 25.119  42.656 116.602 1 73.014  ? 7  A 1 .
ATOM 94   C CD   . LYS Axp A 7  ? 25.644  43.333 115.341 1 78.906  ? 7  A 1 .
ATOM 95   C CE   . LYS Axp A 7  ? 26.239  44.678 115.638 1 84.681  ? 7  A 1 .
ATOM 96   N NZ   . LYS Axp A 7  ? 26.848  45.294 114.456 1 87.561  ? 7  A 1 .
ATOM 97   H H    . LYS Axp A 7  ? 23.467  38.941 116.794 1 53.305  ? 7  A 1 c
ATOM 98   H HA   . LYS Axp A 7  ? 24.433  40.936 118.418 1 57.407  ? 7  A 1 c
ATOM 99   H HB3  . LYS Axp A 7  ? 23.791  41.377 115.688 1 64.389  ? 7  A 1 c
ATOM 100  H HB2  . LYS Axp A 7  ? 25.151  40.663 116.093 1 64.34   ? 7  A 1 c
ATOM 101  H HG3  . LYS Axp A 7  ? 25.865  42.545 117.232 1 72.107  ? 7  A 1 c
ATOM 102  H HG2  . LYS Axp A 7  ? 24.466  43.25  117.026 1 72.128  ? 7  A 1 c
ATOM 103  H HD3  . LYS Axp A 7  ? 24.907  43.441 114.701 1 78.81   ? 7  A 1 c
ATOM 104  H HD2  . LYS Axp A 7  ? 26.329  42.762 114.928 1 78.81   ? 7  A 1 c
ATOM 105  H HE3  . LYS Axp A 7  ? 26.919  44.583 116.33  1 83.987  ? 7  A 1 c
ATOM 106  H HE2  . LYS Axp A 7  ? 25.544  45.269 115.979 1 83.987  ? 7  A 1 c
ATOM 107  H HZ1  . LYS Axp A 7  ? 26.223  45.397 113.809 1 86.664  ? 7  A 1 c
ATOM 108  H HZ2  . LYS Axp A 7  ? 27.515  44.765 114.144 1 86.664  ? 7  A 1 c
ATOM 109  H HZ3  . LYS Axp A 7  ? 27.188  46.105 114.674 1 86.664  ? 7  A 1 c
ATOM 110  N N    . ALA Axp A 8  ? 21.427  41.132 117.24  1 52.644  ? 8  A 1 .
ATOM 111  C CA   . ALA Axp A 8  ? 20.115  41.738 117.435 1 50.497  ? 8  A 1 .
ATOM 112  C C    . ALA Axp A 8  ? 19.734  41.661 118.917 1 52.599  ? 8  A 1 .
ATOM 113  O O    . ALA Axp A 8  ? 19.301  42.659 119.501 1 57.536  ? 8  A 1 .
ATOM 114  C CB   . ALA Axp A 8  ? 19.067  41.089 116.518 1 46.943  ? 8  A 1 .
ATOM 115  H H    . ALA Axp A 8  ? 21.523  40.499 116.588 1 52.544  ? 8  A 1 c
ATOM 116  H HA   . ALA Axp A 8  ? 20.19   42.701 117.192 1 50.748  ? 8  A 1 c
ATOM 117  H HB3  . ALA Axp A 8  ? 18.19   41.151 116.93  1 47.776  ? 8  A 1 c
ATOM 118  H HB2  . ALA Axp A 8  ? 19.289  40.153 116.375 1 47.933  ? 8  A 1 c
ATOM 119  H HB1  . ALA Axp A 8  ? 19.052  41.551 115.665 1 47.866  ? 8  A 1 c
ATOM 120  N N    . ALA Axp A 9  ? 19.932  40.476 119.517 1 52.502  ? 9  A 1 .
ATOM 121  C CA   . ALA Axp A 9  ? 19.742  40.303 120.953 1 52.069  ? 9  A 1 .
ATOM 122  C C    . ALA Axp A 9  ? 20.594  41.317 121.72  1 48.956  ? 9  A 1 .
ATOM 123  O O    . ALA Axp A 9  ? 20.087  42.322 122.2   1 47.907  ? 9  A 1 .
ATOM 124  C CB   . ALA Axp A 9  ? 20.034  38.87  121.359 1 51.677  ? 9  A 1 .
ATOM 125  H H    . ALA Axp A 9  ? 20.185  39.755 119.015 1 52.406  ? 9  A 1 c
ATOM 126  H HA   . ALA Axp A 9  ? 18.79   40.501 121.157 1 51.305  ? 9  A 1 c
ATOM 127  H HB3  . ALA Axp A 9  ? 20.169  38.823 122.321 1 51.747  ? 9  A 1 c
ATOM 128  H HB2  . ALA Axp A 9  ? 20.837  38.558 120.908 1 51.77   ? 9  A 1 c
ATOM 129  H HB1  . ALA Axp A 9  ? 19.286  38.301 121.112 1 51.657  ? 9  A 1 c
ATOM 130  N N    . GLU Axp A 10 ? 21.911  41.103 121.747 1 53.805  ? 10 A 1 .
ATOM 131  C CA   . GLU Axp A 10 ? 22.834  42.068 122.324 1 55.433  ? 10 A 1 .
ATOM 132  C C    . GLU Axp A 10 ? 22.376  43.489 122.035 1 55.24   ? 10 A 1 .
ATOM 133  O O    . GLU Axp A 10 ? 22.303  44.315 122.933 1 54.214  ? 10 A 1 .
ATOM 134  C CB   . GLU Axp A 10 ? 24.245  41.915 121.759 1 58.651  ? 10 A 1 .
ATOM 135  C CG   . GLU Axp A 10 ? 25.104  41.015 122.633 1 64.604  ? 10 A 1 .
ATOM 136  C CD   . GLU Axp A 10 ? 24.988  41.468 124.076 1 67.005  ? 10 A 1 .
ATOM 137  O OE1  . GLU Axp A 10 ? 24.981  42.706 124.333 1 64.252  ? 10 A 1 .
ATOM 138  O OE2  . GLU Axp A 10 ? 24.879  40.558 124.924 1 63.462  ? 10 A 1 .
ATOM 139  H H    . GLU Axp A 10 ? 22.248  40.332 121.391 1 53.017  ? 10 A 1 c
ATOM 140  H HA   . GLU Axp A 10 ? 22.842  41.935 123.302 1 55.808  ? 10 A 1 c
ATOM 141  H HB3  . GLU Axp A 10 ? 24.664  42.798 121.691 1 59.169  ? 10 A 1 c
ATOM 142  H HB2  . GLU Axp A 10 ? 24.189  41.539 120.856 1 59.064  ? 10 A 1 c
ATOM 143  H HG3  . GLU Axp A 10 ? 26.041  41.068 122.349 1 63.734  ? 10 A 1 c
ATOM 144  H HG2  . GLU Axp A 10 ? 24.798  40.085 122.557 1 63.733  ? 10 A 1 c
ATOM 145  N N    . GLU Axp A 11 ? 22.073  43.752 120.766 1 59.626  ? 11 A 1 .
ATOM 146  C CA   . GLU Axp A 11 ? 21.662  45.081 120.357 1 64.592  ? 11 A 1 .
ATOM 147  C C    . GLU Axp A 11 ? 20.484  45.53  121.219 1 69.979  ? 11 A 1 .
ATOM 148  O O    . GLU Axp A 11 ? 20.609  46.473 122.006 1 76.094  ? 11 A 1 .
ATOM 149  C CB   . GLU Axp A 11 ? 21.313  45.129 118.867 1 73.801  ? 11 A 1 .
ATOM 150  C CG   . GLU Axp A 11 ? 22.528  45.104 117.937 1 83.462  ? 11 A 1 .
ATOM 151  C CD   . GLU Axp A 11 ? 22.308  45.54  116.493 1 83.277  ? 11 A 1 .
ATOM 152  O OE1  . GLU Axp A 11 ? 21.45   44.925 115.805 1 81.544  ? 11 A 1 .
ATOM 153  O OE2  . GLU Axp A 11 ? 23.02   46.483 116.05  1 76.173  ? 11 A 1 .
ATOM 154  H H    . GLU Axp A 11 ? 22.131  43.092 120.137 1 59.466  ? 11 A 1 c
ATOM 155  H HA   . GLU Axp A 11 ? 22.419  45.699 120.52  1 66.261  ? 11 A 1 c
ATOM 156  H HB3  . GLU Axp A 11 ? 20.801  45.946 118.69  1 73.509  ? 11 A 1 c
ATOM 157  H HB2  . GLU Axp A 11 ? 20.739  44.368 118.653 1 73.089  ? 11 A 1 c
ATOM 158  H HG3  . GLU Axp A 11 ? 22.89   44.2   117.925 1 80.566  ? 11 A 1 c
ATOM 159  H HG2  . GLU Axp A 11 ? 23.223  45.679 118.322 1 80.874  ? 11 A 1 c
ATOM 160  N N    . VAL Axp A 12 ? 19.361  44.8   121.094 1 68.67   ? 12 A 1 .
ATOM 161  C CA   . VAL Axp A 12 ? 18.077  45.191 121.667 1 56.934  ? 12 A 1 .
ATOM 162  C C    . VAL Axp A 12 ? 18.251  45.661 123.113 1 51.153  ? 12 A 1 .
ATOM 163  O O    . VAL Axp A 12 ? 17.625  46.641 123.514 1 48.215  ? 12 A 1 .
ATOM 164  C CB   . VAL Axp A 12 ? 17.021  44.071 121.565 1 51.929  ? 12 A 1 .
ATOM 165  C CG1  . VAL Axp A 12 ? 17.296  42.879 122.473 1 53.367  ? 12 A 1 .
ATOM 166  C CG2  . VAL Axp A 12 ? 15.635  44.621 121.844 1 50.426  ? 12 A 1 .
ATOM 167  H H    . VAL Axp A 12 ? 19.403  44.015 120.626 1 65.817  ? 12 A 1 c
ATOM 168  H HA   . VAL Axp A 12 ? 17.749  45.951 121.149 1 56.795  ? 12 A 1 c
ATOM 169  H HB   . VAL Axp A 12 ? 17.032  43.747 120.634 1 52.872  ? 12 A 1 c
ATOM 170  H HG11 . VAL Axp A 12 ? 16.809  42.984 123.308 1 52.88   ? 12 A 1 c
ATOM 171  H HG12 . VAL Axp A 12 ? 18.243  42.823 122.66  1 52.813  ? 12 A 1 c
ATOM 172  H HG13 . VAL Axp A 12 ? 17.006  42.062 122.032 1 52.903  ? 12 A 1 c
ATOM 173  H HG21 . VAL Axp A 12 ? 14.971  43.937 121.655 1 50.847  ? 12 A 1 c
ATOM 174  H HG22 . VAL Axp A 12 ? 15.472  45.394 121.277 1 50.877  ? 12 A 1 c
ATOM 175  H HG23 . VAL Axp A 12 ? 15.569  44.885 122.777 1 50.755  ? 12 A 1 c
ATOM 176  N N    . LYS Axp A 13 ? 19.144  44.984 123.848 1 47.523  ? 13 A 1 .
ATOM 177  C CA   . LYS Axp A 13 ? 19.428  45.279 125.237 1 47.843  ? 13 A 1 .
ATOM 178  C C    . LYS Axp A 13 ? 19.552  46.772 125.501 1 53.069  ? 13 A 1 .
ATOM 179  O O    . LYS Axp A 13 ? 19.47   47.167 126.657 1 51.671  ? 13 A 1 .
ATOM 180  C CB   . LYS Axp A 13 ? 20.781  44.734 125.694 1 52.058  ? 13 A 1 .
ATOM 181  C CG   . LYS Axp A 13 ? 20.964  43.224 125.736 1 57.243  ? 13 A 1 .
ATOM 182  C CD   . LYS Axp A 13 ? 22.38   42.792 126.126 1 59.498  ? 13 A 1 .
ATOM 183  C CE   . LYS Axp A 13 ? 22.879  43.517 127.333 1 60.09   ? 13 A 1 .
ATOM 184  N NZ   . LYS Axp A 13 ? 24.171  42.992 127.767 1 63.39   ? 13 A 1 .
ATOM 185  H H    . LYS Axp A 13 ? 19.599  44.296 123.456 1 48.895  ? 13 A 1 c
ATOM 186  H HA   . LYS Axp A 13 ? 18.702  44.905 125.799 1 49.44   ? 13 A 1 c
ATOM 187  H HB3  . LYS Axp A 13 ? 20.949  45.08  126.596 1 52.293  ? 13 A 1 c
ATOM 188  H HB2  . LYS Axp A 13 ? 21.473  45.107 125.108 1 52.227  ? 13 A 1 c
ATOM 189  H HG3  . LYS Axp A 13 ? 20.75   42.857 124.851 1 56.447  ? 13 A 1 c
ATOM 190  H HG2  . LYS Axp A 13 ? 20.326  42.849 126.381 1 56.492  ? 13 A 1 c
ATOM 191  H HD3  . LYS Axp A 13 ? 22.981  42.971 125.375 1 59.167  ? 13 A 1 c
ATOM 192  H HD2  . LYS Axp A 13 ? 22.387  41.826 126.304 1 59.148  ? 13 A 1 c
ATOM 193  H HE3  . LYS Axp A 13 ? 22.237  43.427 128.059 1 60.696  ? 13 A 1 c
ATOM 194  H HE2  . LYS Axp A 13 ? 22.985  44.464 127.132 1 60.604  ? 13 A 1 c
ATOM 195  H HZ1  . LYS Axp A 13 ? 24.783  43.099 127.107 1 62.35   ? 13 A 1 c
ATOM 196  H HZ2  . LYS Axp A 13 ? 24.094  42.11  127.961 1 62.334  ? 13 A 1 c
ATOM 197  H HZ3  . LYS Axp A 13 ? 24.45   43.435 128.506 1 62.35   ? 13 A 1 c
ATOM 198  N N    . ASN Axp A 14 ? 19.802  47.583 124.462 1 64.706  ? 14 A 1 .
ATOM 199  C CA   . ASN Axp A 14 ? 20.081  49.001 124.655 1 77.393  ? 14 A 1 .
ATOM 200  C C    . ASN Axp A 14 ? 18.92   49.88  124.171 1 86.081  ? 14 A 1 .
ATOM 201  O O    . ASN Axp A 14 ? 19.098  51.081 123.933 1 98.76   ? 14 A 1 .
ATOM 202  C CB   . ASN Axp A 14 ? 21.423  49.362 124.023 1 77.094  ? 14 A 1 .
ATOM 203  C CG   . ASN Axp A 14 ? 22.56   48.614 124.678 1 75.575  ? 14 A 1 .
ATOM 204  O OD1  . ASN Axp A 14 ? 22.588  48.482 125.907 1 73.976  ? 14 A 1 .
ATOM 205  N ND2  . ASN Axp A 14 ? 23.493  48.104 123.887 1 74.771  ? 14 A 1 .
ATOM 206  H H    . ASN Axp A 14 ? 19.83   47.245 123.615 1 63.872  ? 14 A 1 c
ATOM 207  H HA   . ASN Axp A 14 ? 20.174  49.157 125.621 1 75.815  ? 14 A 1 c
ATOM 208  H HB3  . ASN Axp A 14 ? 21.576  50.324 124.114 1 76.912  ? 14 A 1 c
ATOM 209  H HB2  . ASN Axp A 14 ? 21.4    49.146 123.069 1 76.807  ? 14 A 1 c
ATOM 210  H HD21 . ASN Axp A 14 ? 23.892  47.343 124.108 1 75.024  ? 14 A 1 c
ATOM 211  H HD22 . ASN Axp A 14 ? 23.716  48.524 123.138 1 75.045  ? 14 A 1 c
ATOM 212  N N    . LEU Axp A 15 ? 17.713  49.311 124.058 1 82.111  ? 15 A 1 .
ATOM 213  C CA   . LEU Axp A 15 ? 16.575  50.126 123.663 1 86.25   ? 15 A 1 .
ATOM 214  C C    . LEU Axp A 15 ? 16.346  51.207 124.726 1 89.974  ? 15 A 1 .
ATOM 215  O O    . LEU Axp A 15 ? 15.884  50.934 125.836 1 93.102  ? 15 A 1 .
ATOM 216  C CB   . LEU Axp A 15 ? 15.313  49.31  123.369 1 88.439  ? 15 A 1 .
ATOM 217  C CG   . LEU Axp A 15 ? 15.196  48.704 121.961 1 93.895  ? 15 A 1 .
ATOM 218  C CD1  . LEU Axp A 15 ? 13.848  48.007 121.786 1 92.787  ? 15 A 1 .
ATOM 219  C CD2  . LEU Axp A 15 ? 15.379  49.687 120.793 1 96.332  ? 15 A 1 .
ATOM 220  H H    . LEU Axp A 15 ? 17.594  48.422 124.228 1 83.612  ? 15 A 1 c
ATOM 221  H HA   . LEU Axp A 15 ? 16.834  50.591 122.828 1 86.714  ? 15 A 1 c
ATOM 222  H HB3  . LEU Axp A 15 ? 14.531  49.891 123.519 1 89.137  ? 15 A 1 c
ATOM 223  H HB2  . LEU Axp A 15 ? 15.261  48.578 124.026 1 89.116  ? 15 A 1 c
ATOM 224  H HG   . LEU Axp A 15 ? 15.9    48.01  121.874 1 93.098  ? 15 A 1 c
ATOM 225  H HD11 . LEU Axp A 15 ? 13.569  47.623 122.634 1 91.807  ? 15 A 1 c
ATOM 226  H HD12 . LEU Axp A 15 ? 13.93   47.302 121.123 1 92.805  ? 15 A 1 c
ATOM 227  H HD13 . LEU Axp A 15 ? 13.183  48.652 121.491 1 92.833  ? 15 A 1 c
ATOM 228  H HD21 . LEU Axp A 15 ? 16.315  49.714 120.536 1 95.643  ? 15 A 1 c
ATOM 229  H HD22 . LEU Axp A 15 ? 15.095  50.575 121.068 1 95.227  ? 15 A 1 c
ATOM 230  H HD23 . LEU Axp A 15 ? 14.845  49.398 120.034 1 95.14   ? 15 A 1 c
ATOM 231  N N    . LYS Axp A 16 ? 16.65   52.453 124.337 1 95.661  ? 16 A 1 .
ATOM 232  C CA   . LYS Axp A 16 ? 16.532  53.655 125.163 1 98.409  ? 16 A 1 .
ATOM 233  C C    . LYS Axp A 16 ? 15.25   53.751 126.013 1 94.376  ? 16 A 1 .
ATOM 234  O O    . LYS Axp A 16 ? 15.258  54.374 127.074 1 84.266  ? 16 A 1 .
ATOM 235  C CB   . LYS Axp A 16 ? 16.634  54.867 124.226 1 97.701  ? 16 A 1 .
ATOM 236  C CG   . LYS Axp A 16 ? 18.055  55.211 123.793 1 95.651  ? 16 A 1 .
ATOM 237  C CD   . LYS Axp A 16 ? 18.137  56.254 122.683 1 87.796  ? 16 A 1 .
ATOM 238  C CE   . LYS Axp A 16 ? 19.556  56.549 122.317 1 79.2    ? 16 A 1 .
ATOM 239  N NZ   . LYS Axp A 16 ? 19.716  57.333 121.09  1 78.081  ? 16 A 1 .
ATOM 240  H H    . LYS Axp A 16 ? 16.962  52.561 123.484 1 94.776  ? 16 A 1 c
ATOM 241  H HA   . LYS Axp A 16 ? 17.309  53.678 125.778 1 96.997  ? 16 A 1 c
ATOM 242  H HB3  . LYS Axp A 16 ? 16.25   55.649 124.678 1 97.363  ? 16 A 1 c
ATOM 243  H HB2  . LYS Axp A 16 ? 16.097  54.694 123.424 1 97.354  ? 16 A 1 c
ATOM 244  H HG3  . LYS Axp A 16 ? 18.497  54.388 123.492 1 94.133  ? 16 A 1 c
ATOM 245  H HG2  . LYS Axp A 16 ? 18.546  55.543 124.576 1 94.236  ? 16 A 1 c
ATOM 246  H HD3  . LYS Axp A 16 ? 17.705  57.081 122.987 1 87.392  ? 16 A 1 c
ATOM 247  H HD2  . LYS Axp A 16 ? 17.656  55.933 121.891 1 87.369  ? 16 A 1 c
ATOM 248  H HE3  . LYS Axp A 16 ? 20.016  55.706 122.208 1 81.399  ? 16 A 1 c
ATOM 249  H HE2  . LYS Axp A 16 ? 19.981  57.027 123.052 1 80.933  ? 16 A 1 c
ATOM 250  H HZ1  . LYS Axp A 16 ? 19.311  58.137 121.186 1 78.424  ? 16 A 1 c
ATOM 251  H HZ2  . LYS Axp A 16 ? 19.341  56.891 120.394 1 78.424  ? 16 A 1 c
ATOM 252  H HZ3  . LYS Axp A 16 ? 20.597  57.461 120.921 1 78.424  ? 16 A 1 c
ATOM 253  N N    . THR Axp A 17 ? 14.127  53.177 125.554 1 93.246  ? 17 A 1 .
ATOM 254  C CA   . THR Axp A 17 ? 12.85   53.339 126.24  1 77.144  ? 17 A 1 .
ATOM 255  C C    . THR Axp A 17 ? 12.05   52.033 126.255 1 74.423  ? 17 A 1 .
ATOM 256  O O    . THR Axp A 17 ? 12.085  51.234 125.319 1 82.996  ? 17 A 1 .
ATOM 257  C CB   . THR Axp A 17 ? 12.057  54.464 125.567 1 70.451  ? 17 A 1 .
ATOM 258  O OG1  . THR Axp A 17 ? 11.718  54.107 124.226 1 56.71   ? 17 A 1 .
ATOM 259  C CG2  . THR Axp A 17 ? 12.836  55.766 125.523 1 68.87   ? 17 A 1 .
ATOM 260  H H    . THR Axp A 17 ? 14.152  52.685 124.785 1 89.594  ? 17 A 1 c
ATOM 261  H HA   . THR Axp A 17 ? 13.029  53.603 127.169 1 78.201  ? 17 A 1 c
ATOM 262  H HB   . THR Axp A 17 ? 11.225  54.617 126.076 1 68.356  ? 17 A 1 c
ATOM 263  H HG1  . THR Axp A 17 ? 12.338  53.907 123.764 0 40.39   ? 17 A 1 c
ATOM 264  H HG21 . THR Axp A 17 ? 12.229  56.5   125.333 1 69.402  ? 17 A 1 c
ATOM 265  H HG22 . THR Axp A 17 ? 13.511  55.717 124.825 1 69.562  ? 17 A 1 c
ATOM 266  H HG23 . THR Axp A 17 ? 13.267  55.916 126.381 1 69.46   ? 17 A 1 c
ATOM 267  N N    . LYS Axp A 18 ? 11.268  51.857 127.32  1 67.031  ? 18 A 1 .
ATOM 268  C CA   . LYS Axp A 18 ? 10.394  50.702 127.445 1 65.594  ? 18 A 1 .
ATOM 269  C C    . LYS Axp A 18 ? 9.408   50.691 126.274 1 60.67   ? 18 A 1 .
ATOM 270  O O    . LYS Axp A 18 ? 8.712   51.664 126.016 1 59.262  ? 18 A 1 .
ATOM 271  C CB   . LYS Axp A 18 ? 9.749   50.756 128.834 1 68.628  ? 18 A 1 .
ATOM 272  C CG   . LYS Axp A 18 ? 8.69    49.705 129.148 1 76.076  ? 18 A 1 .
ATOM 273  C CD   . LYS Axp A 18 ? 7.996   49.971 130.483 1 80.893  ? 18 A 1 .
ATOM 274  C CE   . LYS Axp A 18 ? 6.606   49.408 130.561 1 82.065  ? 18 A 1 .
ATOM 275  N NZ   . LYS Axp A 18 ? 6.595   47.956 130.361 1 84.407  ? 18 A 1 .
ATOM 276  H H    . LYS Axp A 18 ? 11.279  52.477 127.992 1 68.535  ? 18 A 1 c
ATOM 277  H HA   . LYS Axp A 18 ? 10.956  49.89  127.399 1 65.386  ? 18 A 1 c
ATOM 278  H HB3  . LYS Axp A 18 ? 9.339   51.64  128.944 1 69.611  ? 18 A 1 c
ATOM 279  H HB2  . LYS Axp A 18 ? 10.461  50.678 129.504 1 69.563  ? 18 A 1 c
ATOM 280  H HG3  . LYS Axp A 18 ? 9.117   48.821 129.174 1 75.34   ? 18 A 1 c
ATOM 281  H HG2  . LYS Axp A 18 ? 8.02    49.702 128.43  1 75.306  ? 18 A 1 c
ATOM 282  H HD3  . LYS Axp A 18 ? 7.954   50.941 130.632 1 79.901  ? 18 A 1 c
ATOM 283  H HD2  . LYS Axp A 18 ? 8.538   49.582 131.203 1 80.036  ? 18 A 1 c
ATOM 284  H HE3  . LYS Axp A 18 ? 6.049   49.825 129.88  1 82.327  ? 18 A 1 c
ATOM 285  H HE2  . LYS Axp A 18 ? 6.221   49.611 131.432 1 82.26   ? 18 A 1 c
ATOM 286  H HZ1  . LYS Axp A 18 ? 7.313   47.581 130.769 1 83.629  ? 18 A 1 c
ATOM 287  H HZ2  . LYS Axp A 18 ? 6.624   47.768 129.475 1 83.632  ? 18 A 1 c
ATOM 288  H HZ3  . LYS Axp A 18 ? 5.838   47.606 130.713 1 83.661  ? 18 A 1 c
ATOM 289  N N    . PRO Axp A 19 ? 9.346   49.604 125.483 1 59.961  ? 19 A 1 .
ATOM 290  C CA   . PRO Axp A 19 ? 8.44    49.533 124.342 1 56.115  ? 19 A 1 .
ATOM 291  C C    . PRO Axp A 19 ? 6.988   49.278 124.736 1 52.71   ? 19 A 1 .
ATOM 292  O O    . PRO Axp A 19 ? 6.629   49.318 125.913 1 50.709  ? 19 A 1 .
ATOM 293  C CB   . PRO Axp A 19 ? 8.987   48.362 123.516 1 55.935  ? 19 A 1 .
ATOM 294  C CG   . PRO Axp A 19 ? 9.503   47.462 124.626 1 60.887  ? 19 A 1 .
ATOM 295  C CD   . PRO Axp A 19 ? 10.147  48.383 125.639 1 62.721  ? 19 A 1 .
ATOM 296  H HA   . PRO Axp A 19 ? 8.5     50.361 123.822 1 56.201  ? 19 A 1 c
ATOM 297  H HB3  . PRO Axp A 19 ? 9.709   48.65  122.924 1 56.881  ? 19 A 1 c
ATOM 298  H HB2  . PRO Axp A 19 ? 8.287   47.921 123.002 1 56.432  ? 19 A 1 c
ATOM 299  H HG3  . PRO Axp A 19 ? 10.158  46.825 124.278 1 59.879  ? 19 A 1 c
ATOM 300  H HG2  . PRO Axp A 19 ? 8.769   46.963 125.036 1 60.054  ? 19 A 1 c
ATOM 301  H HD3  . PRO Axp A 19 ? 10.071  48.027 126.546 1 61.705  ? 19 A 1 c
ATOM 302  H HD2  . PRO Axp A 19 ? 11.086  48.551 125.43  1 61.688  ? 19 A 1 c
ATOM 303  N N    . ALA Axp A 20 ? 6.168   49.028 123.712 1 46.46   ? 20 A 1 .
ATOM 304  C CA   . ALA Axp A 20 ? 4.773   48.705 123.895 1 37.665  ? 20 A 1 .
ATOM 305  C C    . ALA Axp A 20 ? 4.654   47.208 124.127 1 33.969  ? 20 A 1 .
ATOM 306  O O    . ALA Axp A 20 ? 5.491   46.409 123.73  1 33.569  ? 20 A 1 .
ATOM 307  C CB   . ALA Axp A 20 ? 3.985   49.149 122.697 1 37.517  ? 20 A 1 .
ATOM 308  H H    . ALA Axp A 20 ? 6.493   49.084 122.86  1 45.631  ? 20 A 1 c
ATOM 309  H HA   . ALA Axp A 20 ? 4.439   49.18  124.706 1 38.51   ? 20 A 1 c
ATOM 310  H HB3  . ALA Axp A 20 ? 3.131   48.685 122.676 1 37.553  ? 20 A 1 c
ATOM 311  H HB2  . ALA Axp A 20 ? 4.478   48.949 121.885 1 37.618  ? 20 A 1 c
ATOM 312  H HB1  . ALA Axp A 20 ? 3.827   50.107 122.748 1 37.57   ? 20 A 1 c
ATOM 313  N N    . ASP Axp A 21 ? 3.569   46.842 124.775 1 31.204  ? 21 A 1 .
ATOM 314  C CA   . ASP Axp A 21 ? 3.391   45.465 125.153 1 28.721  ? 21 A 1 .
ATOM 315  C C    . ASP Axp A 21 ? 3.593   44.547 123.951 1 27.238  ? 21 A 1 .
ATOM 316  O O    . ASP Axp A 21 ? 4.567   43.81  123.883 1 24.974  ? 21 A 1 .
ATOM 317  C CB   . ASP Axp A 21 ? 2.051   45.298 125.831 1 27.601  ? 21 A 1 .
ATOM 318  C CG   . ASP Axp A 21 ? 2.013   44.039 126.664 1 26.348  ? 21 A 1 .
ATOM 319  O OD1  . ASP Axp A 21 ? 2.859   43.958 127.596 1 24.465  ? 21 A 1 .
ATOM 320  O OD2  . ASP Axp A 21 ? 1.193   43.163 126.322 1 24.915  ? 21 A 1 .
ATOM 321  H H    . ASP Axp A 21 ? 2.924   47.455 124.983 1 31.283  ? 21 A 1 c
ATOM 322  H HA   . ASP Axp A 21 ? 4.083   45.248 125.818 1 28.627  ? 21 A 1 c
ATOM 323  H HB3  . ASP Axp A 21 ? 1.332   45.264 125.167 1 27.574  ? 21 A 1 c
ATOM 324  H HB2  . ASP Axp A 21 ? 1.887   46.062 126.422 1 27.602  ? 21 A 1 c
ATOM 325  N N    . ASP Axp A 22 ? 2.669   44.597 122.997 1 29.603  ? 22 A 1 .
ATOM 326  C CA   . ASP Axp A 22 ? 2.752   43.752 121.816 1 33.895  ? 22 A 1 .
ATOM 327  C C    . ASP Axp A 22 ? 4.197   43.586 121.391 1 32.05   ? 22 A 1 .
ATOM 328  O O    . ASP Axp A 22 ? 4.568   42.502 120.978 1 32.64   ? 22 A 1 .
ATOM 329  C CB   . ASP Axp A 22 ? 2.046   44.334 120.603 1 41.042  ? 22 A 1 .
ATOM 330  C CG   . ASP Axp A 22 ? 2.052   45.854 120.535 1 49.328  ? 22 A 1 .
ATOM 331  O OD1  . ASP Axp A 22 ? 3.06    46.457 120.983 1 62.817  ? 22 A 1 .
ATOM 332  O OD2  . ASP Axp A 22 ? 1.047   46.426 120.053 1 49.635  ? 22 A 1 .
ATOM 333  H H    . ASP Axp A 22 ? 1.964   45.172 123.081 1 29.972  ? 22 A 1 c
ATOM 334  H HA   . ASP Axp A 22 ? 2.372   42.869 122.029 1 33.833  ? 22 A 1 c
ATOM 335  H HB3  . ASP Axp A 22 ? 1.113   44.035 120.613 1 41.017  ? 22 A 1 c
ATOM 336  H HB2  . ASP Axp A 22 ? 2.461   43.989 119.784 1 40.938  ? 22 A 1 c
ATOM 337  N N    . GLU Axp A 23 ? 4.978   44.67  121.462 1 32.368  ? 23 A 1 .
ATOM 338  C CA   . GLU Axp A 23 ? 6.36    44.675 121.004 1 31.363  ? 23 A 1 .
ATOM 339  C C    . GLU Axp A 23 ? 7.169   43.668 121.822 1 30.778  ? 23 A 1 .
ATOM 340  O O    . GLU Axp A 23 ? 7.821   42.798 121.255 1 28.044  ? 23 A 1 .
ATOM 341  C CB   . GLU Axp A 23 ? 6.983   46.075 121.081 1 31.896  ? 23 A 1 .
ATOM 342  C CG   . GLU Axp A 23 ? 6.216   47.147 120.306 1 32.116  ? 23 A 1 .
ATOM 343  C CD   . GLU Axp A 23 ? 6.92    48.495 120.205 1 33.575  ? 23 A 1 .
ATOM 344  O OE1  . GLU Axp A 23 ? 7.249   49.113 121.238 1 36.298  ? 23 A 1 .
ATOM 345  O OE2  . GLU Axp A 23 ? 7.139   48.941 119.068 1 32.013  ? 23 A 1 .
ATOM 346  H H    . GLU Axp A 23 ? 4.63    45.445 121.798 1 32.106  ? 23 A 1 c
ATOM 347  H HA   . GLU Axp A 23 ? 6.37    44.385 120.057 1 31.523  ? 23 A 1 c
ATOM 348  H HB3  . GLU Axp A 23 ? 7.895   46.03  120.725 1 31.854  ? 23 A 1 c
ATOM 349  H HB2  . GLU Axp A 23 ? 7.045   46.341 122.02  1 31.977  ? 23 A 1 c
ATOM 350  H HG3  . GLU Axp A 23 ? 5.348   47.287 120.734 1 32.568  ? 23 A 1 c
ATOM 351  H HG2  . GLU Axp A 23 ? 6.044   46.819 119.398 1 32.425  ? 23 A 1 c
ATOM 352  N N    . MET Axp A 24 ? 7.104   43.807 123.154 1 34.053  ? 24 A 1 .
ATOM 353  C CA   . MET Axp A 24 ? 7.795   42.941 124.098 1 34.03   ? 24 A 1 .
ATOM 354  C C    . MET Axp A 24 ? 7.44    41.509 123.75  1 33.016  ? 24 A 1 .
ATOM 355  O O    . MET Axp A 24 ? 8.315   40.736 123.38  1 36.471  ? 24 A 1 .
ATOM 356  C CB   . MET Axp A 24 ? 7.382   43.257 125.545 1 37.033  ? 24 A 1 .
ATOM 357  C CG   . MET Axp A 24 ? 7.945   42.328 126.613 1 39.887  ? 24 A 1 .
ATOM 358  S SD   . MET Axp A 24 ? 6.923   40.91  127.093 1 42.354  ? 24 A 1 .
ATOM 359  C CE   . MET Axp A 24 ? 5.442   41.703 127.719 1 42.159  ? 24 A 1 .
ATOM 360  H H    . MET Axp A 24 ? 6.599   44.49  123.492 1 33.244  ? 24 A 1 c
ATOM 361  H HA   . MET Axp A 24 ? 8.772   43.069 123.991 1 34.375  ? 24 A 1 c
ATOM 362  H HB3  . MET Axp A 24 ? 6.404   43.238 125.597 1 36.857  ? 24 A 1 c
ATOM 363  H HB2  . MET Axp A 24 ? 7.667   44.174 125.749 1 36.933  ? 24 A 1 c
ATOM 364  H HG3  . MET Axp A 24 ? 8.121   42.855 127.418 1 39.62   ? 24 A 1 c
ATOM 365  H HG2  . MET Axp A 24 ? 8.804   41.987 126.301 1 39.575  ? 24 A 1 c
ATOM 366  H HE3  . MET Axp A 24 ? 4.929   42.068 126.975 1 42.05   ? 24 A 1 c
ATOM 367  H HE2  . MET Axp A 24 ? 5.693   42.425 128.325 1 42.169  ? 24 A 1 c
ATOM 368  H HE1  . MET Axp A 24 ? 4.901   41.049 128.198 1 42.169  ? 24 A 1 c
ATOM 369  N N    . LEU Axp A 25 ? 6.136   41.215 123.799 1 31.583  ? 25 A 1 .
ATOM 370  C CA   . LEU Axp A 25 ? 5.616   39.878 123.55  1 30.461  ? 25 A 1 .
ATOM 371  C C    . LEU Axp A 25 ? 6.208   39.281 122.281 1 29.875  ? 25 A 1 .
ATOM 372  O O    . LEU Axp A 25 ? 6.645   38.142 122.279 1 29.083  ? 25 A 1 .
ATOM 373  C CB   . LEU Axp A 25 ? 4.1     39.97  123.482 1 29.89   ? 25 A 1 .
ATOM 374  C CG   . LEU Axp A 25 ? 3.419   40.084 124.847 1 28.952  ? 25 A 1 .
ATOM 375  C CD1  . LEU Axp A 25 ? 2.185   40.978 124.821 1 29.232  ? 25 A 1 .
ATOM 376  C CD2  . LEU Axp A 25 ? 3.097   38.653 125.295 1 28.757  ? 25 A 1 .
ATOM 377  H H    . LEU Axp A 25 ? 5.542   41.881 123.996 1 31.727  ? 25 A 1 c
ATOM 378  H HA   . LEU Axp A 25 ? 5.87    39.302 124.315 1 30.454  ? 25 A 1 c
ATOM 379  H HB3  . LEU Axp A 25 ? 3.759   39.167 123.024 1 29.795  ? 25 A 1 c
ATOM 380  H HB2  . LEU Axp A 25 ? 3.859   40.758 122.942 1 29.821  ? 25 A 1 c
ATOM 381  H HG   . LEU Axp A 25 ? 4.069   40.47  125.488 1 29.264  ? 25 A 1 c
ATOM 382  H HD11 . LEU Axp A 25 ? 2.456   41.901 124.686 1 29.099  ? 25 A 1 c
ATOM 383  H HD12 . LEU Axp A 25 ? 1.71    40.898 125.665 1 29.108  ? 25 A 1 c
ATOM 384  H HD13 . LEU Axp A 25 ? 1.6     40.704 124.095 1 29.131  ? 25 A 1 c
ATOM 385  H HD21 . LEU Axp A 25 ? 3.853   38.073 125.105 1 28.825  ? 25 A 1 c
ATOM 386  H HD22 . LEU Axp A 25 ? 2.314   38.331 124.817 1 28.815  ? 25 A 1 c
ATOM 387  H HD23 . LEU Axp A 25 ? 2.918   38.646 126.25  1 28.809  ? 25 A 1 c
ATOM 388  N N    . PHE Axp A 26 ? 6.293   40.08  121.227 1 31.325  ? 26 A 1 .
ATOM 389  C CA   . PHE Axp A 26 ? 6.858   39.615 119.974 1 33.874  ? 26 A 1 .
ATOM 390  C C    . PHE Axp A 26 ? 8.329   39.235 120.133 1 30.404  ? 26 A 1 .
ATOM 391  O O    . PHE Axp A 26 ? 8.778   38.175 119.703 1 28.236  ? 26 A 1 .
ATOM 392  C CB   . PHE Axp A 26 ? 6.719   40.732 118.931 1 36.884  ? 26 A 1 .
ATOM 393  C CG   . PHE Axp A 26 ? 7.116   40.356 117.508 1 39.635  ? 26 A 1 .
ATOM 394  C CD1  . PHE Axp A 26 ? 8.441   40.419 117.105 1 40.672  ? 26 A 1 .
ATOM 395  C CD2  . PHE Axp A 26 ? 6.169   39.931 116.576 1 39.413  ? 26 A 1 .
ATOM 396  C CE1  . PHE Axp A 26 ? 8.8     40.089 115.804 1 40.03   ? 26 A 1 .
ATOM 397  C CE2  . PHE Axp A 26 ? 6.541   39.598 115.281 1 37.863  ? 26 A 1 .
ATOM 398  C CZ   . PHE Axp A 26 ? 7.855   39.68  114.899 1 38.081  ? 26 A 1 .
ATOM 399  H H    . PHE Axp A 26 ? 5.985   40.939 121.283 1 31.596  ? 26 A 1 c
ATOM 400  H HA   . PHE Axp A 26 ? 6.346   38.823 119.666 1 33.228  ? 26 A 1 c
ATOM 401  H HB3  . PHE Axp A 26 ? 7.268   41.493 119.217 1 36.617  ? 26 A 1 c
ATOM 402  H HB2  . PHE Axp A 26 ? 5.783   41.033 118.926 1 36.71   ? 26 A 1 c
ATOM 403  H HD1  . PHE Axp A 26 ? 9.101   40.707 117.715 1 40.168  ? 26 A 1 c
ATOM 404  H HD2  . PHE Axp A 26 ? 5.26    39.879 116.828 1 39.086  ? 26 A 1 c
ATOM 405  H HE1  . PHE Axp A 26 ? 9.706   40.14  115.543 1 39.805  ? 26 A 1 c
ATOM 406  H HE2  . PHE Axp A 26 ? 5.886   39.317 114.662 1 38.299  ? 26 A 1 c
ATOM 407  H HZ   . PHE Axp A 26 ? 8.108   39.447 114.021 1 38.503  ? 26 A 1 c
ATOM 408  N N    . ILE Axp A 27 ? 9.11    40.167 120.657 1 29.487  ? 27 A 1 .
ATOM 409  C CA   . ILE Axp A 27 ? 10.518  39.894 120.858 1 29.489  ? 27 A 1 .
ATOM 410  C C    . ILE Axp A 27 ? 10.646  38.547 121.552 1 27.99   ? 27 A 1 .
ATOM 411  O O    . ILE Axp A 27 ? 11.263  37.639 121.009 1 27.597  ? 27 A 1 .
ATOM 412  C CB   . ILE Axp A 27 ? 11.195  41.029 121.644 1 30.579  ? 27 A 1 .
ATOM 413  C CG1  . ILE Axp A 27 ? 11.336  42.255 120.771 1 32.02   ? 27 A 1 .
ATOM 414  C CG2  . ILE Axp A 27 ? 12.543  40.596 122.217 1 30.776  ? 27 A 1 .
ATOM 415  C CD1  . ILE Axp A 27 ? 11.873  41.956 119.373 1 33.41   ? 27 A 1 .
ATOM 416  H H    . ILE Axp A 27 ? 8.77    40.981 120.896 1 29.846  ? 27 A 1 c
ATOM 417  H HA   . ILE Axp A 27 ? 10.941  39.824 119.984 1 29.469  ? 27 A 1 c
ATOM 418  H HB   . ILE Axp A 27 ? 10.613  41.264 122.392 1 30.701  ? 27 A 1 c
ATOM 419  H HG12 . ILE Axp A 27 ? 11.939  42.888 121.211 1 31.979  ? 27 A 1 c
ATOM 420  H HG13 . ILE Axp A 27 ? 10.46   42.684 120.687 1 31.967  ? 27 A 1 c
ATOM 421  H HG21 . ILE Axp A 27 ? 12.918  41.318 122.748 1 30.749  ? 27 A 1 c
ATOM 422  H HG22 . ILE Axp A 27 ? 13.153  40.382 121.491 1 30.759  ? 27 A 1 c
ATOM 423  H HG23 . ILE Axp A 27 ? 12.426  39.813 122.778 1 30.827  ? 27 A 1 c
ATOM 424  H HD11 . ILE Axp A 27 ? 12.535  41.241 119.413 1 32.912  ? 27 A 1 c
ATOM 425  H HD12 . ILE Axp A 27 ? 12.292  42.762 119.014 1 32.966  ? 27 A 1 c
ATOM 426  H HD13 . ILE Axp A 27 ? 11.14   41.688 118.786 1 32.932  ? 27 A 1 c
ATOM 427  N N    . TYR Axp A 28 ? 10.064  38.451 122.751 1 26.555  ? 28 A 1 .
ATOM 428  C CA   . TYR Axp A 28 ? 10.09   37.223 123.516 1 25.723  ? 28 A 1 .
ATOM 429  C C    . TYR Axp A 28 ? 9.693   36.066 122.605 1 25.571  ? 28 A 1 .
ATOM 430  O O    . TYR Axp A 28 ? 10.494  35.188 122.301 1 26.417  ? 28 A 1 .
ATOM 431  C CB   . TYR Axp A 28 ? 9.167   37.343 124.73  1 24.875  ? 28 A 1 .
ATOM 432  C CG   . TYR Axp A 28 ? 9.084   36.021 125.481 1 24.442  ? 28 A 1 .
ATOM 433  C CD1  . TYR Axp A 28 ? 10.119  35.619 126.311 1 23.867  ? 28 A 1 .
ATOM 434  C CD2  . TYR Axp A 28 ? 7.992   35.167 125.344 1 24.169  ? 28 A 1 .
ATOM 435  C CE1  . TYR Axp A 28 ? 10.078  34.409 126.981 1 23.361  ? 28 A 1 .
ATOM 436  C CE2  . TYR Axp A 28 ? 7.948   33.948 125.994 1 23.989  ? 28 A 1 .
ATOM 437  C CZ   . TYR Axp A 28 ? 8.988   33.577 126.824 1 23.457  ? 28 A 1 .
ATOM 438  O OH   . TYR Axp A 28 ? 8.922   32.385 127.472 1 23.378  ? 28 A 1 .
ATOM 439  H H    . TYR Axp A 28 ? 9.637   39.179 123.101 1 26.737  ? 28 A 1 c
ATOM 440  H HA   . TYR Axp A 28 ? 11.018  37.071 123.837 1 25.698  ? 28 A 1 c
ATOM 441  H HB3  . TYR Axp A 28 ? 8.27    37.605 124.428 1 25.007  ? 28 A 1 c
ATOM 442  H HB2  . TYR Axp A 28 ? 9.515   38.037 125.33  1 25.068  ? 28 A 1 c
ATOM 443  H HD1  . TYR Axp A 28 ? 10.87   36.178 126.416 1 23.938  ? 28 A 1 c
ATOM 444  H HD2  . TYR Axp A 28 ? 7.283   35.411 124.771 1 24.181  ? 28 A 1 c
ATOM 445  H HE1  . TYR Axp A 28 ? 10.79   34.154 127.542 1 23.515  ? 28 A 1 c
ATOM 446  H HE2  . TYR Axp A 28 ? 7.2     33.385 125.895 1 23.925  ? 28 A 1 c
ATOM 447  H HH   . TYR Axp A 28 ? 9.856   32.466 127.946 0 22.55   ? 28 A 1 c
ATOM 448  N N    . SER Axp A 29 ? 8.455   36.131 122.127 1 26.798  ? 29 A 1 .
ATOM 449  C CA   . SER Axp A 29 ? 7.811   35.064 121.38  1 29.505  ? 29 A 1 .
ATOM 450  C C    . SER Axp A 29 ? 8.755   34.445 120.362 1 30.03   ? 29 A 1 .
ATOM 451  O O    . SER Axp A 29 ? 8.892   33.228 120.306 1 27.721  ? 29 A 1 .
ATOM 452  C CB   . SER Axp A 29 ? 6.61    35.61  120.687 1 32.024  ? 29 A 1 .
ATOM 453  O OG   . SER Axp A 29 ? 7.006   36.558 119.712 1 37.905  ? 29 A 1 .
ATOM 454  H H    . SER Axp A 29 ? 7.979   36.898 122.27  1 27.116  ? 29 A 1 c
ATOM 455  H HA   . SER Axp A 29 ? 7.523   34.361 122.016 1 29.491  ? 29 A 1 c
ATOM 456  H HB3  . SER Axp A 29 ? 6.018   36.03  121.337 1 32.66   ? 29 A 1 c
ATOM 457  H HB2  . SER Axp A 29 ? 6.125   34.881 120.255 1 32.752  ? 29 A 1 c
ATOM 458  H HG   . SER Axp A 29 ? 6.344   36.943 119.235 0 29.68   ? 29 A 1 c
ATOM 459  N N    . HIS Axp A 30 ? 9.345   35.31  119.527 1 34.148  ? 30 A 1 .
ATOM 460  C CA   . HIS Axp A 30 ? 10.21   34.902 118.426 1 36.739  ? 30 A 1 .
ATOM 461  C C    . HIS Axp A 30 ? 11.543  34.369 118.964 1 34.441  ? 30 A 1 .
ATOM 462  O O    . HIS Axp A 30 ? 12.028  33.324 118.53  1 35.437  ? 30 A 1 .
ATOM 463  C CB   . HIS Axp A 30 ? 10.346  36.053 117.41  1 37.057  ? 30 A 1 .
ATOM 464  C CG   . HIS Axp A 30 ? 9.082   36.306 116.654 1 38.101  ? 30 A 1 .
ATOM 465  N ND1  . HIS Axp A 30 ? 7.939   36.698 117.303 1 38.421  ? 30 A 1 .
ATOM 466  C CD2  . HIS Axp A 30 ? 8.727   36.143 115.373 1 42.894  ? 30 A 1 .
ATOM 467  C CE1  . HIS Axp A 30 ? 6.94    36.793 116.434 1 41.853  ? 30 A 1 .
ATOM 468  N NE2  . HIS Axp A 30 ? 7.398   36.467 115.251 1 43.023  ? 30 A 1 .
ATOM 469  H H    . HIS Axp A 30 ? 9.203   36.204 119.655 1 33.654  ? 30 A 1 c
ATOM 470  H HA   . HIS Axp A 30 ? 9.752   34.156 117.965 1 35.815  ? 30 A 1 c
ATOM 471  H HB3  . HIS Axp A 30 ? 11.061  35.832 116.774 1 37.22   ? 30 A 1 c
ATOM 472  H HB2  . HIS Axp A 30 ? 10.603  36.871 117.889 1 37.2    ? 30 A 1 c
ATOM 473  H HD1  . HIS Axp A 30 ? 7.798   36.799 118.051 0 26.64   ? 30 A 1 c
ATOM 474  H HD2  . HIS Axp A 30 ? 9.284   35.863 114.676 1 41.869  ? 30 A 1 c
ATOM 475  H HE1  . HIS Axp A 30 ? 6.062   37.073 116.631 1 41.274  ? 30 A 1 c
ATOM 476  H HE2  . HIS Axp A 30 ? 6.939   36.526 114.353 0 26.43   ? 30 A 1 c
ATOM 477  N N    . TYR Axp A 31 ? 12.134  35.105 119.905 1 32.721  ? 31 A 1 .
ATOM 478  C CA   . TYR Axp A 31 ? 13.348  34.661 120.559 1 34.939  ? 31 A 1 .
ATOM 479  C C    . TYR Axp A 31 ? 13.21   33.175 120.905 1 37.86   ? 31 A 1 .
ATOM 480  O O    . TYR Axp A 31 ? 13.85   32.322 120.309 1 42.791  ? 31 A 1 .
ATOM 481  C CB   . TYR Axp A 31 ? 13.643  35.541 121.781 1 35.295  ? 31 A 1 .
ATOM 482  C CG   . TYR Axp A 31 ? 14.925  35.112 122.478 1 35.736  ? 31 A 1 .
ATOM 483  C CD1  . TYR Axp A 31 ? 16.159  35.666 122.143 1 36.579  ? 31 A 1 .
ATOM 484  C CD2  . TYR Axp A 31 ? 14.908  34.087 123.41  1 36.177  ? 31 A 1 .
ATOM 485  C CE1  . TYR Axp A 31 ? 17.333  35.237 122.744 1 35.152  ? 31 A 1 .
ATOM 486  C CE2  . TYR Axp A 31 ? 16.071  33.664 124.03  1 37.602  ? 31 A 1 .
ATOM 487  C CZ   . TYR Axp A 31 ? 17.283  34.244 123.706 1 34.876  ? 31 A 1 .
ATOM 488  O OH   . TYR Axp A 31 ? 18.392  33.77  124.335 1 32.898  ? 31 A 1 .
ATOM 489  H H    . TYR Axp A 31 ? 11.774  35.911 120.141 1 33.652  ? 31 A 1 c
ATOM 490  H HA   . TYR Axp A 31 ? 14.099  34.762 119.916 1 35.068  ? 31 A 1 c
ATOM 491  H HB3  . TYR Axp A 31 ? 12.895  35.478 122.413 1 35.291  ? 31 A 1 c
ATOM 492  H HB2  . TYR Axp A 31 ? 13.731  36.475 121.488 1 35.31   ? 31 A 1 c
ATOM 493  H HD1  . TYR Axp A 31 ? 16.197  36.349 121.492 1 36.033  ? 31 A 1 c
ATOM 494  H HD2  . TYR Axp A 31 ? 14.086  33.69  123.65  1 36.399  ? 31 A 1 c
ATOM 495  H HE1  . TYR Axp A 31 ? 18.156  35.638 122.522 1 35.418  ? 31 A 1 c
ATOM 496  H HE2  . TYR Axp A 31 ? 16.037  32.979 124.677 1 36.575  ? 31 A 1 c
ATOM 497  H HH   . TYR Axp A 31 ? 19.085  34.338 123.939 0 26.43   ? 31 A 1 c
ATOM 498  N N    . LYS Axp A 32 ? 12.315  32.863 121.841 1 39.45   ? 32 A 1 .
ATOM 499  C CA   . LYS Axp A 32 ? 12.086  31.501 122.3   1 37.788  ? 32 A 1 .
ATOM 500  C C    . LYS Axp A 32 ? 11.926  30.527 121.135 1 38.034  ? 32 A 1 .
ATOM 501  O O    . LYS Axp A 32 ? 12.333  29.369 121.218 1 42.502  ? 32 A 1 .
ATOM 502  C CB   . LYS Axp A 32 ? 10.809  31.485 123.142 1 35.889  ? 32 A 1 .
ATOM 503  C CG   . LYS Axp A 32 ? 10.915  32.35  124.399 1 34.301  ? 32 A 1 .
ATOM 504  C CD   . LYS Axp A 32 ? 11.976  31.897 125.392 1 32.218  ? 32 A 1 .
ATOM 505  C CE   . LYS Axp A 32 ? 11.724  30.48  125.772 1 32.358  ? 32 A 1 .
ATOM 506  N NZ   . LYS Axp A 32 ? 12.722  29.96  126.699 1 32.378  ? 32 A 1 .
ATOM 507  H H    . LYS Axp A 32 ? 11.805  33.533 122.195 1 38.518  ? 32 A 1 c
ATOM 508  H HA   . LYS Axp A 32 ? 12.858  31.218 122.852 1 37.734  ? 32 A 1 c
ATOM 509  H HB3  . LYS Axp A 32 ? 10.605  30.564 123.404 1 35.858  ? 32 A 1 c
ATOM 510  H HB2  . LYS Axp A 32 ? 10.063  31.815 122.597 1 35.923  ? 32 A 1 c
ATOM 511  H HG3  . LYS Axp A 32 ? 10.043  32.345 124.847 1 34.04   ? 32 A 1 c
ATOM 512  H HG2  . LYS Axp A 32 ? 11.104  33.275 124.132 1 34.156  ? 32 A 1 c
ATOM 513  H HD3  . LYS Axp A 32 ? 11.941  32.461 126.195 1 32.667  ? 32 A 1 c
ATOM 514  H HD2  . LYS Axp A 32 ? 12.867  31.976 124.989 1 32.753  ? 32 A 1 c
ATOM 515  H HE3  . LYS Axp A 32 ? 11.729  29.917 124.979 1 32.379  ? 32 A 1 c
ATOM 516  H HE2  . LYS Axp A 32 ? 10.845  30.412 126.186 1 32.346  ? 32 A 1 c
ATOM 517  H HZ1  . LYS Axp A 32 ? 12.72   30.452 127.459 1 32.372  ? 32 A 1 c
ATOM 518  H HZ2  . LYS Axp A 32 ? 13.544  30.002 126.319 1 32.372  ? 32 A 1 c
ATOM 519  H HZ3  . LYS Axp A 32 ? 12.531  29.097 126.901 1 32.372  ? 32 A 1 c
ATOM 520  N N    . GLN Axp A 33 ? 11.307  30.994 120.05  1 37.002  ? 33 A 1 .
ATOM 521  C CA   . GLN Axp A 33 ? 11.117  30.151 118.88  1 38.276  ? 33 A 1 .
ATOM 522  C C    . GLN Axp A 33 ? 12.438  29.989 118.113 1 39.043  ? 33 A 1 .
ATOM 523  O O    . GLN Axp A 33 ? 12.7    28.955 117.499 1 35.612  ? 33 A 1 .
ATOM 524  C CB   . GLN Axp A 33 ? 10.001  30.776 118.041 1 38.69   ? 33 A 1 .
ATOM 525  C CG   . GLN Axp A 33 ? 9.539   29.923 116.859 1 40.383  ? 33 A 1 .
ATOM 526  C CD   . GLN Axp A 33 ? 8.834   28.641 117.249 1 39.919  ? 33 A 1 .
ATOM 527  O OE1  . GLN Axp A 33 ? 7.889   28.641 118.04  1 46.007  ? 33 A 1 .
ATOM 528  N NE2  . GLN Axp A 33 ? 9.269   27.52  116.699 1 39.605  ? 33 A 1 .
ATOM 529  H H    . GLN Axp A 33 ? 10.975  31.845 120.042 1 37.538  ? 33 A 1 c
ATOM 530  H HA   . GLN Axp A 33 ? 10.818  29.257 119.185 1 38.264  ? 33 A 1 c
ATOM 531  H HB3  . GLN Axp A 33 ? 10.312  31.64  117.702 1 38.952  ? 33 A 1 c
ATOM 532  H HB2  . GLN Axp A 33 ? 9.233   30.948 118.625 1 38.969  ? 33 A 1 c
ATOM 533  H HG3  . GLN Axp A 33 ? 10.317  29.696 116.305 1 39.881  ? 33 A 1 c
ATOM 534  H HG2  . GLN Axp A 33 ? 8.929   30.453 116.303 1 39.886  ? 33 A 1 c
ATOM 535  H HE21 . GLN Axp A 33 ? 9.103   26.743 117.092 1 39.758  ? 33 A 1 c
ATOM 536  H HE22 . GLN Axp A 33 ? 9.721   27.543 115.936 1 39.72   ? 33 A 1 c
ATOM 537  N N    . ALA Axp A 34 ? 13.267  31.035 118.137 1 41.529  ? 34 A 1 .
ATOM 538  C CA   . ALA Axp A 34 ? 14.533  31.055 117.421 1 40.575  ? 34 A 1 .
ATOM 539  C C    . ALA Axp A 34 ? 15.624  30.285 118.166 1 39.81   ? 34 A 1 .
ATOM 540  O O    . ALA Axp A 34 ? 16.607  29.907 117.545 1 44.692  ? 34 A 1 .
ATOM 541  C CB   . ALA Axp A 34 ? 14.981  32.486 117.16  1 41.449  ? 34 A 1 .
ATOM 542  H H    . ALA Axp A 34 ? 13.026  31.777 118.611 1 40.655  ? 34 A 1 c
ATOM 543  H HA   . ALA Axp A 34 ? 14.393  30.604 116.543 1 40.818  ? 34 A 1 c
ATOM 544  H HB3  . ALA Axp A 34 ? 15.951  32.531 117.161 1 41.356  ? 34 A 1 c
ATOM 545  H HB2  . ALA Axp A 34 ? 14.633  33.072 117.853 1 41.213  ? 34 A 1 c
ATOM 546  H HB1  . ALA Axp A 34 ? 14.647  32.78  116.296 1 41.275  ? 34 A 1 c
ATOM 547  N N    . THR Axp A 35 ? 15.497  30.08  119.482 1 37.965  ? 35 A 1 .
ATOM 548  C CA   . THR Axp A 35 ? 16.57   29.451 120.237 1 37.436  ? 35 A 1 .
ATOM 549  C C    . THR Axp A 35 ? 16.112  28.138 120.865 1 35.593  ? 35 A 1 .
ATOM 550  O O    . THR Axp A 35 ? 16.921  27.24  121.049 1 33.905  ? 35 A 1 .
ATOM 551  C CB   . THR Axp A 35 ? 17.14   30.405 121.291 1 39.052  ? 35 A 1 .
ATOM 552  O OG1  . THR Axp A 35 ? 16.114  30.797 122.203 1 40.248  ? 35 A 1 .
ATOM 553  C CG2  . THR Axp A 35 ? 17.804  31.615 120.654 1 37.453  ? 35 A 1 .
ATOM 554  H H    . THR Axp A 35 ? 14.744  30.356 119.92  1 38.253  ? 35 A 1 c
ATOM 555  H HA   . THR Axp A 35 ? 17.294  29.241 119.609 1 37.538  ? 35 A 1 c
ATOM 556  H HB   . THR Axp A 35 ? 17.837  29.921 121.796 1 38.661  ? 35 A 1 c
ATOM 557  H HG1  . THR Axp A 35 ? 15.693  31.443 121.597 0 26.48   ? 35 A 1 c
ATOM 558  H HG21 . THR Axp A 35 ? 17.896  32.32  121.316 1 37.932  ? 35 A 1 c
ATOM 559  H HG22 . THR Axp A 35 ? 17.259  31.934 119.916 1 37.958  ? 35 A 1 c
ATOM 560  H HG23 . THR Axp A 35 ? 18.683  31.365 120.323 1 37.95   ? 35 A 1 c
ATOM 561  N N    . VAL Axp A 36 ? 14.841  28.027 121.239 1 35.193  ? 36 A 1 .
ATOM 562  C CA   . VAL Axp A 36 ? 14.364  26.779 121.806 1 35.892  ? 36 A 1 .
ATOM 563  C C    . VAL Axp A 36 ? 13.74   25.937 120.705 1 41.072  ? 36 A 1 .
ATOM 564  O O    . VAL Axp A 36 ? 14.152  24.803 120.468 1 44.35   ? 36 A 1 .
ATOM 565  C CB   . VAL Axp A 36 ? 13.363  27.032 122.938 1 33.425  ? 36 A 1 .
ATOM 566  C CG1  . VAL Axp A 36 ? 12.811  25.726 123.508 1 30.516  ? 36 A 1 .
ATOM 567  C CG2  . VAL Axp A 36 ? 14.002  27.931 123.996 1 36.094  ? 36 A 1 .
ATOM 568  H H    . VAL Axp A 36 ? 14.265  28.732 121.157 1 35.56   ? 36 A 1 c
ATOM 569  H HA   . VAL Axp A 36 ? 15.126  26.291 122.174 1 36.208  ? 36 A 1 c
ATOM 570  H HB   . VAL Axp A 36 ? 12.606  27.523 122.551 1 33.929  ? 36 A 1 c
ATOM 571  H HG11 . VAL Axp A 36 ? 13.469  25.019 123.401 1 31.437  ? 36 A 1 c
ATOM 572  H HG12 . VAL Axp A 36 ? 11.997  25.484 123.035 1 31.416  ? 36 A 1 c
ATOM 573  H HG13 . VAL Axp A 36 ? 12.613  25.84  124.453 1 31.445  ? 36 A 1 c
ATOM 574  H HG21 . VAL Axp A 36 ? 13.456  27.927 124.8   1 35.259  ? 36 A 1 c
ATOM 575  H HG22 . VAL Axp A 36 ? 14.066  28.839 123.655 1 35.282  ? 36 A 1 c
ATOM 576  H HG23 . VAL Axp A 36 ? 14.892  27.603 124.208 1 35.285  ? 36 A 1 c
ATOM 577  N N    . GLY Axp A 37 ? 12.742  26.519 120.043 1 43.997  ? 37 A 1 .
ATOM 578  C CA   . GLY Axp A 37 ? 11.947  25.82  119.055 1 41.669  ? 37 A 1 .
ATOM 579  C C    . GLY Axp A 37 ? 10.492  25.812 119.486 1 39.281  ? 37 A 1 .
ATOM 580  O O    . GLY Axp A 37 ? 10.085  26.633 120.3   1 35.501  ? 37 A 1 .
ATOM 581  H H    . GLY Axp A 37 ? 12.547  27.395 120.216 1 42.459  ? 37 A 1 c
ATOM 582  H HA3  . GLY Axp A 37 ? 12.273  24.894 118.958 1 41.672  ? 37 A 1 c
ATOM 583  H HA2  . GLY Axp A 37 ? 12.036  26.272 118.183 1 41.663  ? 37 A 1 c
ATOM 584  N N    . ASP Axp A 38 ? 9.717   24.89  118.913 1 41.955  ? 38 A 1 .
ATOM 585  C CA   . ASP Axp A 38 ? 8.304   24.806 119.229 1 44.499  ? 38 A 1 .
ATOM 586  C C    . ASP Axp A 38 ? 8.205   24.586 120.734 1 45.088  ? 38 A 1 .
ATOM 587  O O    . ASP Axp A 38 ? 8.876   23.706 121.273 1 44.177  ? 38 A 1 .
ATOM 588  C CB   . ASP Axp A 38 ? 7.571   23.815 118.331 1 45.601  ? 38 A 1 .
ATOM 589  C CG   . ASP Axp A 38 ? 7.4     24.268 116.881 1 49.928  ? 38 A 1 .
ATOM 590  O OD1  . ASP Axp A 38 ? 7.031   25.442 116.668 1 55.819  ? 38 A 1 .
ATOM 591  O OD2  . ASP Axp A 38 ? 7.619   23.46  115.952 1 49.204  ? 38 A 1 .
ATOM 592  H H    . ASP Axp A 38 ? 10.075  24.302 118.312 1 41.874  ? 38 A 1 c
ATOM 593  H HA   . ASP Axp A 38 ? 7.907   25.683 119.029 1 44.325  ? 38 A 1 c
ATOM 594  H HB3  . ASP Axp A 38 ? 6.681   23.648 118.706 1 46.3    ? 38 A 1 c
ATOM 595  H HB2  . ASP Axp A 38 ? 8.062   22.967 118.331 1 46.314  ? 38 A 1 c
ATOM 596  N N    . ILE Axp A 39 ? 7.407   25.454 121.372 1 45.15   ? 39 A 1 .
ATOM 597  C CA   . ILE Axp A 39 ? 7.109   25.468 122.801 1 44.082  ? 39 A 1 .
ATOM 598  C C    . ILE Axp A 39 ? 7.038   24.075 123.42  1 41.459  ? 39 A 1 .
ATOM 599  O O    . ILE Axp A 39 ? 6.449   23.153 122.864 1 40.33   ? 39 A 1 .
ATOM 600  C CB   . ILE Axp A 39 ? 5.778   26.206 123.041 1 45.782  ? 39 A 1 .
ATOM 601  C CG1  . ILE Axp A 39 ? 5.759   26.874 124.418 1 44.942  ? 39 A 1 .
ATOM 602  C CG2  . ILE Axp A 39 ? 4.572   25.286 122.811 1 44.614  ? 39 A 1 .
ATOM 603  C CD1  . ILE Axp A 39 ? 4.641   27.881 124.58  1 43.519  ? 39 A 1 .
ATOM 604  H H    . ILE Axp A 39 ? 7.013   26.101 120.861 1 44.889  ? 39 A 1 c
ATOM 605  H HA   . ILE Axp A 39 ? 7.816   25.964 123.249 1 43.947  ? 39 A 1 c
ATOM 606  H HB   . ILE Axp A 39 ? 5.723   26.923 122.378 1 45.085  ? 39 A 1 c
ATOM 607  H HG12 . ILE Axp A 39 ? 6.615   27.322 124.566 1 44.546  ? 39 A 1 c
ATOM 608  H HG13 . ILE Axp A 39 ? 5.661   26.181 125.103 1 44.749  ? 39 A 1 c
ATOM 609  H HG21 . ILE Axp A 39 ? 3.771   25.826 122.699 1 44.93   ? 39 A 1 c
ATOM 610  H HG22 . ILE Axp A 39 ? 4.456   24.698 123.576 1 44.894  ? 39 A 1 c
ATOM 611  H HG23 . ILE Axp A 39 ? 4.713   24.754 122.01  1 44.894  ? 39 A 1 c
ATOM 612  H HD11 . ILE Axp A 39 ? 4.689   28.539 123.86  1 43.833  ? 39 A 1 c
ATOM 613  H HD12 . ILE Axp A 39 ? 4.732   28.335 125.439 1 43.911  ? 39 A 1 c
ATOM 614  H HD13 . ILE Axp A 39 ? 3.779   27.425 124.545 1 43.913  ? 39 A 1 c
ATOM 615  N N    . ASN Axp A 40 ? 7.557   23.974 124.64  1 43.287  ? 40 A 1 .
ATOM 616  C CA   . ASN Axp A 40 ? 7.612   22.703 125.34  1 50.933  ? 40 A 1 .
ATOM 617  C C    . ASN Axp A 40 ? 7.642   22.926 126.85  1 51.287  ? 40 A 1 .
ATOM 618  O O    . ASN Axp A 40 ? 8.468   22.345 127.557 1 44.63   ? 40 A 1 .
ATOM 619  C CB   . ASN Axp A 40 ? 8.829   21.907 124.901 1 56.834  ? 40 A 1 .
ATOM 620  C CG   . ASN Axp A 40 ? 10.102  22.685 125.127 1 60.654  ? 40 A 1 .
ATOM 621  O OD1  . ASN Axp A 40 ? 10.065  23.888 125.434 1 57.754  ? 40 A 1 .
ATOM 622  N ND2  . ASN Axp A 40 ? 11.228  22.012 124.955 1 64.664  ? 40 A 1 .
ATOM 623  H H    . ASN Axp A 40 ? 7.887   24.719 125.053 1 44.537  ? 40 A 1 c
ATOM 624  H HA   . ASN Axp A 40 ? 6.81    22.18  125.112 1 50.302  ? 40 A 1 c
ATOM 625  H HB3  . ASN Axp A 40 ? 8.748   21.69  123.951 1 56.254  ? 40 A 1 c
ATOM 626  H HB2  . ASN Axp A 40 ? 8.868   21.068 125.402 1 56.194  ? 40 A 1 c
ATOM 627  H HD21 . ASN Axp A 40 ? 11.933  22.191 125.463 1 63.391  ? 40 A 1 c
ATOM 628  H HD22 . ASN Axp A 40 ? 11.278  21.382 124.332 1 63.355  ? 40 A 1 c
ATOM 629  N N    . THR Axp A 41 ? 6.711   23.77  127.325 1 54.732  ? 41 A 1 .
ATOM 630  C CA   . THR Axp A 41 ? 6.588   24.103 128.738 1 49.209  ? 41 A 1 .
ATOM 631  C C    . THR Axp A 41 ? 5.117   24.132 129.13  1 44.167  ? 41 A 1 .
ATOM 632  O O    . THR Axp A 41 ? 4.234   24.312 128.297 1 38.895  ? 41 A 1 .
ATOM 633  C CB   . THR Axp A 41 ? 7.26    25.445 129.022 1 45.99   ? 41 A 1 .
ATOM 634  O OG1  . THR Axp A 41 ? 6.477   26.405 128.319 1 42.399  ? 41 A 1 .
ATOM 635  C CG2  . THR Axp A 41 ? 8.705   25.467 128.555 1 46.36   ? 41 A 1 .
ATOM 636  H H    . THR Axp A 41 ? 6.124   24.152 126.738 1 52.473  ? 41 A 1 c
ATOM 637  H HA   . THR Axp A 41 ? 7.042   23.409 129.263 1 48.623  ? 41 A 1 c
ATOM 638  H HB   . THR Axp A 41 ? 7.225   25.637 129.99  1 45.888  ? 41 A 1 c
ATOM 639  H HG1  . THR Axp A 41 ? 6.615   26.349 127.467 0 31.52   ? 41 A 1 c
ATOM 640  H HG21 . THR Axp A 41 ? 9.169   26.213 128.972 1 46.258  ? 41 A 1 c
ATOM 641  H HG22 . THR Axp A 41 ? 8.733   25.569 127.589 1 46.289  ? 41 A 1 c
ATOM 642  H HG23 . THR Axp A 41 ? 9.14    24.635 128.805 1 46.251  ? 41 A 1 c
ATOM 643  N N    . GLU Axp A 42 ? 4.898   23.96  130.429 1 45.898  ? 42 A 1 .
ATOM 644  C CA   . GLU Axp A 42 ? 3.582   24.019 131.039 1 49.805  ? 42 A 1 .
ATOM 645  C C    . GLU Axp A 42 ? 3.15    25.489 131.082 1 44.767  ? 42 A 1 .
ATOM 646  O O    . GLU Axp A 42 ? 3.908   26.34  131.549 1 39.672  ? 42 A 1 .
ATOM 647  C CB   . GLU Axp A 42 ? 3.637   23.551 132.498 1 59.9    ? 42 A 1 .
ATOM 648  C CG   . GLU Axp A 42 ? 4.557   22.366 132.798 1 66.123  ? 42 A 1 .
ATOM 649  C CD   . GLU Axp A 42 ? 3.797   21.073 132.964 1 70.173  ? 42 A 1 .
ATOM 650  O OE1  . GLU Axp A 42 ? 2.965   20.8   132.072 1 67.147  ? 42 A 1 .
ATOM 651  O OE2  . GLU Axp A 42 ? 4.045   20.362 133.968 1 75.462  ? 42 A 1 .
ATOM 652  H H    . GLU Axp A 42 ? 5.621   23.833 130.973 1 46.726  ? 42 A 1 c
ATOM 653  H HA   . GLU Axp A 42 ? 2.942   23.484 130.503 1 49.589  ? 42 A 1 c
ATOM 654  H HB3  . GLU Axp A 42 ? 2.728   23.32  132.784 1 58.804  ? 42 A 1 c
ATOM 655  H HB2  . GLU Axp A 42 ? 3.938   24.299 133.056 1 58.553  ? 42 A 1 c
ATOM 656  H HG3  . GLU Axp A 42 ? 5.057   22.546 133.623 1 65.549  ? 42 A 1 c
ATOM 657  H HG2  . GLU Axp A 42 ? 5.203   22.256 132.072 1 65.22   ? 42 A 1 c
ATOM 658  N N    . ARG Axp A 43 ? 1.91    25.786 130.669 1 44.645  ? 43 A 1 .
ATOM 659  C CA   . ARG Axp A 43 ? 1.372   27.139 130.774 1 41.879  ? 43 A 1 .
ATOM 660  C C    . ARG Axp A 43 ? 1.345   27.592 132.235 1 37.833  ? 43 A 1 .
ATOM 661  O O    . ARG Axp A 43 ? 0.937   26.821 133.101 1 32.971  ? 43 A 1 .
ATOM 662  C CB   . ARG Axp A 43 ? -0.052  27.197 130.217 1 42.16   ? 43 A 1 .
ATOM 663  C CG   . ARG Axp A 43 ? -0.643  28.595 130.12  1 42.961  ? 43 A 1 .
ATOM 664  C CD   . ARG Axp A 43 ? -1.771  28.621 129.08  1 42.312  ? 43 A 1 .
ATOM 665  N NE   . ARG Axp A 43 ? -2.233  29.954 128.666 1 37.877  ? 43 A 1 .
ATOM 666  C CZ   . ARG Axp A 43 ? -2.963  30.768 129.401 1 32.544  ? 43 A 1 .
ATOM 667  N NH1  . ARG Axp A 43 ? -3.357  30.403 130.605 1 31.086  ? 43 A 1 .
ATOM 668  N NH2  . ARG Axp A 43 ? -3.304  31.936 128.906 1 31.725  ? 43 A 1 .
ATOM 669  H H    . ARG Axp A 43 ? 1.385   25.129 130.312 1 44.104  ? 43 A 1 c
ATOM 670  H HA   . ARG Axp A 43 ? 1.951   27.744 130.252 1 41.575  ? 43 A 1 c
ATOM 671  H HB3  . ARG Axp A 43 ? -0.633  26.651 130.788 1 42.251  ? 43 A 1 c
ATOM 672  H HB2  . ARG Axp A 43 ? -0.051  26.792 129.323 1 42.266  ? 43 A 1 c
ATOM 673  H HG3  . ARG Axp A 43 ? 0.056   29.229 129.852 1 42.576  ? 43 A 1 c
ATOM 674  H HG2  . ARG Axp A 43 ? -0.999  28.865 130.994 1 42.599  ? 43 A 1 c
ATOM 675  H HD3  . ARG Axp A 43 ? -2.532  28.124 129.446 1 41.292  ? 43 A 1 c
ATOM 676  H HD2  . ARG Axp A 43 ? -1.466  28.137 128.286 1 41.313  ? 43 A 1 c
ATOM 677  H HE   . ARG Axp A 43 ? -2.006  30.23  127.871 1 37.364  ? 43 A 1 c
ATOM 678  H HH11 . ARG Axp A 43 ? -3.894  29.707 130.701 1 31.604  ? 43 A 1 c
ATOM 679  H HH12 . ARG Axp A 43 ? -3.083  30.857 131.31  1 31.645  ? 43 A 1 c
ATOM 680  H HH21 . ARG Axp A 43 ? -3.586  31.993 128.07  1 32.015  ? 43 A 1 c
ATOM 681  H HH22 . ARG Axp A 43 ? -3.257  32.658 129.411 1 31.981  ? 43 A 1 c
ATOM 682  N N    . PRO Axp A 44 ? 1.735   28.854 132.557 1 37.859  ? 44 A 1 .
ATOM 683  C CA   . PRO Axp A 44 ? 1.748   29.319 133.94  1 36.674  ? 44 A 1 .
ATOM 684  C C    . PRO Axp A 44 ? 0.353   29.252 134.532 1 35.27   ? 44 A 1 .
ATOM 685  O O    . PRO Axp A 44 ? -0.597  28.955 133.813 1 37.741  ? 44 A 1 .
ATOM 686  C CB   . PRO Axp A 44 ? 2.235   30.768 133.864 1 37.212  ? 44 A 1 .
ATOM 687  C CG   . PRO Axp A 44 ? 2.918   30.829 132.511 1 37.836  ? 44 A 1 .
ATOM 688  C CD   . PRO Axp A 44 ? 2.129   29.915 131.614 1 38.966  ? 44 A 1 .
ATOM 689  H HA   . PRO Axp A 44 ? 2.366   28.776 134.471 1 36.733  ? 44 A 1 c
ATOM 690  H HB3  . PRO Axp A 44 ? 2.864   30.966 134.585 1 37.225  ? 44 A 1 c
ATOM 691  H HB2  . PRO Axp A 44 ? 1.486   31.395 133.908 1 37.201  ? 44 A 1 c
ATOM 692  H HG3  . PRO Axp A 44 ? 3.846   30.526 132.577 1 37.929  ? 44 A 1 c
ATOM 693  H HG2  . PRO Axp A 44 ? 2.912   31.74  132.161 1 37.848  ? 44 A 1 c
ATOM 694  H HD3  . PRO Axp A 44 ? 1.347   30.364 131.242 1 38.496  ? 44 A 1 c
ATOM 695  H HD2  . PRO Axp A 44 ? 2.681   29.561 130.893 1 38.444  ? 44 A 1 c
ATOM 696  N N    . GLY Axp A 45 ? 0.227   29.535 135.823 1 32.858  ? 45 A 1 .
ATOM 697  C CA   . GLY Axp A 45 ? -1.091  29.5   136.425 1 34.852  ? 45 A 1 .
ATOM 698  C C    . GLY Axp A 45 ? -1.252  30.684 137.351 1 38.178  ? 45 A 1 .
ATOM 699  O O    . GLY Axp A 45 ? -0.483  31.641 137.237 1 40.764  ? 45 A 1 .
ATOM 700  H H    . GLY Axp A 45 ? 0.956   29.747 136.333 1 33.907  ? 45 A 1 c
ATOM 701  H HA3  . GLY Axp A 45 ? -1.199  28.661 136.93  1 35.126  ? 45 A 1 c
ATOM 702  H HA2  . GLY Axp A 45 ? -1.781  29.53  135.722 1 35.107  ? 45 A 1 c
ATOM 703  N N    . MET Axp A 46 ? -2.207  30.555 138.281 1 43.032  ? 46 A 1 .
ATOM 704  C CA   . MET Axp A 46 ? -2.399  31.531 139.338 1 48.26   ? 46 A 1 .
ATOM 705  C C    . MET Axp A 46 ? -2.702  32.857 138.65  1 39.433  ? 46 A 1 .
ATOM 706  O O    . MET Axp A 46 ? -3.343  32.874 137.611 1 35.582  ? 46 A 1 .
ATOM 707  C CB   . MET Axp A 46 ? -1.151  31.742 140.22  1 67.529  ? 46 A 1 .
ATOM 708  C CG   . MET Axp A 46 ? -0.275  30.535 140.574 1 83.257  ? 46 A 1 .
ATOM 709  S SD   . MET Axp A 46 ? 1.45    31.059 140.756 1 102.949 ? 46 A 1 .
ATOM 710  C CE   . MET Axp A 46 ? 2.204   29.617 141.528 1 96.601  ? 46 A 1 .
ATOM 711  H H    . MET Axp A 46 ? -2.76   29.828 138.252 1 42.794  ? 46 A 1 c
ATOM 712  H HA   . MET Axp A 46 ? -3.172  31.259 139.895 1 48.328  ? 46 A 1 c
ATOM 713  H HB3  . MET Axp A 46 ? -1.448  32.149 141.062 1 64.917  ? 46 A 1 c
ATOM 714  H HB2  . MET Axp A 46 ? -0.575  32.397 139.773 1 64.706  ? 46 A 1 c
ATOM 715  H HG3  . MET Axp A 46 ? -0.334  29.859 139.871 1 81.816  ? 46 A 1 c
ATOM 716  H HG2  . MET Axp A 46 ? -0.582  30.136 141.413 1 82.345  ? 46 A 1 c
ATOM 717  H HE3  . MET Axp A 46 ? 2.598   29.05  140.84  1 98.144  ? 46 A 1 c
ATOM 718  H HE2  . MET Axp A 46 ? 1.523   29.115 142.013 1 98.144  ? 46 A 1 c
ATOM 719  H HE1  . MET Axp A 46 ? 2.898   29.907 142.148 1 98.144  ? 46 A 1 c
ATOM 720  N N    . LEU Axp A 47 ? -2.195  33.956 139.22  1 35.848  ? 47 A 1 .
ATOM 721  C CA   . LEU Axp A 47 ? -2.361  35.28  138.654 1 35.566  ? 47 A 1 .
ATOM 722  C C    . LEU Axp A 47 ? -1.055  35.739 137.998 1 35.4    ? 47 A 1 .
ATOM 723  O O    . LEU Axp A 47 ? -0.654  36.907 138.135 1 37.221  ? 47 A 1 .
ATOM 724  C CB   . LEU Axp A 47 ? -2.783  36.196 139.803 1 38.677  ? 47 A 1 .
ATOM 725  C CG   . LEU Axp A 47 ? -3.787  35.629 140.819 1 41.111  ? 47 A 1 .
ATOM 726  C CD1  . LEU Axp A 47 ? -4.14   36.646 141.901 1 39.529  ? 47 A 1 .
ATOM 727  C CD2  . LEU Axp A 47 ? -5.054  35.136 140.128 1 45.183  ? 47 A 1 .
ATOM 728  H H    . LEU Axp A 47 ? -1.742  33.884 140.009 1 37.384  ? 47 A 1 c
ATOM 729  H HA   . LEU Axp A 47 ? -3.078  35.255 137.971 1 36.151  ? 47 A 1 c
ATOM 730  H HB3  . LEU Axp A 47 ? -3.17   37.012 139.413 1 38.355  ? 47 A 1 c
ATOM 731  H HB2  . LEU Axp A 47 ? -1.972  36.465 140.293 1 38.425  ? 47 A 1 c
ATOM 732  H HG   . LEU Axp A 47 ? -3.366  34.852 141.268 1 41.015  ? 47 A 1 c
ATOM 733  H HD11 . LEU Axp A 47 ? -3.75   36.368 142.746 1 39.921  ? 47 A 1 c
ATOM 734  H HD12 . LEU Axp A 47 ? -5.106  36.703 141.995 1 40.004  ? 47 A 1 c
ATOM 735  H HD13 . LEU Axp A 47 ? -3.789  37.518 141.655 1 39.856  ? 47 A 1 c
ATOM 736  H HD21 . LEU Axp A 47 ? -4.846  34.363 139.578 1 43.821  ? 47 A 1 c
ATOM 737  H HD22 . LEU Axp A 47 ? -5.414  35.844 139.568 1 43.909  ? 47 A 1 c
ATOM 738  H HD23 . LEU Axp A 47 ? -5.713  34.886 140.797 1 43.885  ? 47 A 1 c
ATOM 739  N N    . ASP Axp A 48 ? -0.401  34.816 137.271 1 32.636  ? 48 A 1 .
ATOM 740  C CA   . ASP Axp A 48 ? 0.832   35.12  136.562 1 29.551  ? 48 A 1 .
ATOM 741  C C    . ASP Axp A 48 ? 0.511   35.399 135.1   1 27.262  ? 48 A 1 .
ATOM 742  O O    . ASP Axp A 48 ? 0.942   34.69  134.193 1 25.954  ? 48 A 1 .
ATOM 743  C CB   . ASP Axp A 48 ? 1.881   34.044 136.742 1 30.622  ? 48 A 1 .
ATOM 744  C CG   . ASP Axp A 48 ? 3.24    34.432 136.174 1 33.123  ? 48 A 1 .
ATOM 745  O OD1  . ASP Axp A 48 ? 3.66    35.606 136.331 1 33.434  ? 48 A 1 .
ATOM 746  O OD2  . ASP Axp A 48 ? 3.876   33.564 135.576 1 36.799  ? 48 A 1 .
ATOM 747  H H    . ASP Axp A 48 ? -0.741  33.97  137.208 1 32.614  ? 48 A 1 c
ATOM 748  H HA   . ASP Axp A 48 ? 1.211   35.941 136.951 1 29.96   ? 48 A 1 c
ATOM 749  H HB3  . ASP Axp A 48 ? 1.58    33.221 136.302 1 30.929  ? 48 A 1 c
ATOM 750  H HB2  . ASP Axp A 48 ? 1.986   33.857 137.698 1 30.925  ? 48 A 1 c
ATOM 751  N N    . PHE Axp A 49 ? -0.232  36.491 134.914 1 26.537  ? 49 A 1 .
ATOM 752  C CA   . PHE Axp A 49 ? -0.731  36.919 133.624 1 26.037  ? 49 A 1 .
ATOM 753  C C    . PHE Axp A 49 ? 0.42    37.294 132.703 1 25.431  ? 49 A 1 .
ATOM 754  O O    . PHE Axp A 49 ? 0.326   37.1   131.494 1 25.375  ? 49 A 1 .
ATOM 755  C CB   . PHE Axp A 49 ? -1.684  38.095 133.866 1 25.388  ? 49 A 1 .
ATOM 756  C CG   . PHE Axp A 49 ? -2.963  37.647 134.553 1 24.903  ? 49 A 1 .
ATOM 757  C CD1  . PHE Axp A 49 ? -3.734  36.615 134.024 1 26.929  ? 49 A 1 .
ATOM 758  C CD2  . PHE Axp A 49 ? -3.357  38.204 135.752 1 25.007  ? 49 A 1 .
ATOM 759  C CE1  . PHE Axp A 49 ? -4.882  36.164 134.657 1 26.949  ? 49 A 1 .
ATOM 760  C CE2  . PHE Axp A 49 ? -4.498  37.746 136.393 1 26.404  ? 49 A 1 .
ATOM 761  C CZ   . PHE Axp A 49 ? -5.255  36.723 135.849 1 27.013  ? 49 A 1 .
ATOM 762  H H    . PHE Axp A 49 ? -0.428  37.006 135.643 1 26.681  ? 49 A 1 c
ATOM 763  H HA   . PHE Axp A 49 ? -1.237  36.171 133.215 1 25.942  ? 49 A 1 c
ATOM 764  H HB3  . PHE Axp A 49 ? -1.907  38.506 133.001 1 25.424  ? 49 A 1 c
ATOM 765  H HB2  . PHE Axp A 49 ? -1.23   38.765 134.424 1 25.427  ? 49 A 1 c
ATOM 766  H HD1  . PHE Axp A 49 ? -3.472  36.217 133.21  1 26.434  ? 49 A 1 c
ATOM 767  H HD2  . PHE Axp A 49 ? -2.84   38.889 136.144 1 25.335  ? 49 A 1 c
ATOM 768  H HE1  . PHE Axp A 49 ? -5.395  35.469 134.275 1 26.928  ? 49 A 1 c
ATOM 769  H HE2  . PHE Axp A 49 ? -4.765  38.14  137.206 1 26.212  ? 49 A 1 c
ATOM 770  H HZ   . PHE Axp A 49 ? -6.043  36.435 136.282 1 26.765  ? 49 A 1 c
ATOM 771  N N    . LYS Axp A 50 ? 1.457   37.9   133.28  1 25.218  ? 50 A 1 .
ATOM 772  C CA   . LYS Axp A 50 ? 2.59    38.308 132.482 1 26.233  ? 50 A 1 .
ATOM 773  C C    . LYS Axp A 50 ? 3.168   37.053 131.863 1 24.06   ? 50 A 1 .
ATOM 774  O O    . LYS Axp A 50 ? 3.436   37     130.671 1 23.55   ? 50 A 1 .
ATOM 775  C CB   . LYS Axp A 50 ? 3.671   39.052 133.266 1 29.8    ? 50 A 1 .
ATOM 776  C CG   . LYS Axp A 50 ? 4.78    39.534 132.337 1 34.377  ? 50 A 1 .
ATOM 777  C CD   . LYS Axp A 50 ? 5.806   40.489 132.946 1 39.417  ? 50 A 1 .
ATOM 778  C CE   . LYS Axp A 50 ? 6.579   39.825 134.057 1 47.119  ? 50 A 1 .
ATOM 779  N NZ   . LYS Axp A 50 ? 7.605   40.662 134.682 1 52.853  ? 50 A 1 .
ATOM 780  H H    . LYS Axp A 50 ? 1.457   38.07  134.178 1 25.531  ? 50 A 1 c
ATOM 781  H HA   . LYS Axp A 50 ? 2.263   38.898 131.756 1 26.258  ? 50 A 1 c
ATOM 782  H HB3  . LYS Axp A 50 ? 4.056   38.454 133.942 1 30.064  ? 50 A 1 c
ATOM 783  H HB2  . LYS Axp A 50 ? 3.276   39.823 133.725 1 29.935  ? 50 A 1 c
ATOM 784  H HG3  . LYS Axp A 50 ? 4.364   39.973 131.564 1 34.19   ? 50 A 1 c
ATOM 785  H HG2  . LYS Axp A 50 ? 5.256   38.746 131.999 1 34.349  ? 50 A 1 c
ATOM 786  H HD3  . LYS Axp A 50 ? 5.344   41.279 133.302 1 39.823  ? 50 A 1 c
ATOM 787  H HD2  . LYS Axp A 50 ? 6.431   40.783 132.248 1 39.823  ? 50 A 1 c
ATOM 788  H HE3  . LYS Axp A 50 ? 7.008   39.025 133.703 1 46.442  ? 50 A 1 c
ATOM 789  H HE2  . LYS Axp A 50 ? 5.956   39.54  134.749 1 46.253  ? 50 A 1 c
ATOM 790  H HZ1  . LYS Axp A 50 ? 7.27    41.489 134.841 1 50.942  ? 50 A 1 c
ATOM 791  H HZ2  . LYS Axp A 50 ? 8.321   40.732 134.131 1 51      ? 50 A 1 c
ATOM 792  H HZ3  . LYS Axp A 50 ? 7.867   40.291 135.465 1 51      ? 50 A 1 c
ATOM 793  N N    . GLY Axp A 51 ? 3.344   36.051 132.709 1 24.581  ? 51 A 1 .
ATOM 794  C CA   . GLY Axp A 51 ? 3.757   34.742 132.248 1 27.11   ? 51 A 1 .
ATOM 795  C C    . GLY Axp A 51 ? 2.818   34.243 131.162 1 28.722  ? 51 A 1 .
ATOM 796  O O    . GLY Axp A 51 ? 3.196   34.152 129.997 1 31.4    ? 51 A 1 .
ATOM 797  H H    . GLY Axp A 51 ? 3.215   36.184 133.604 1 25.014  ? 51 A 1 c
ATOM 798  H HA3  . GLY Axp A 51 ? 3.755   34.113 133.006 1 26.873  ? 51 A 1 c
ATOM 799  H HA2  . GLY Axp A 51 ? 4.677   34.796 131.895 1 26.836  ? 51 A 1 c
ATOM 800  N N    . LYS Axp A 52 ? 1.567   34.004 131.554 1 29.837  ? 52 A 1 .
ATOM 801  C CA   . LYS Axp A 52 ? 0.542   33.51  130.643 1 29.942  ? 52 A 1 .
ATOM 802  C C    . LYS Axp A 52 ? 0.569   34.258 129.316 1 26.382  ? 52 A 1 .
ATOM 803  O O    . LYS Axp A 52 ? 0.395   33.673 128.251 1 24.686  ? 52 A 1 .
ATOM 804  C CB   . LYS Axp A 52 ? -0.826  33.679 131.303 1 31.318  ? 52 A 1 .
ATOM 805  C CG   . LYS Axp A 52 ? -0.959  32.768 132.494 1 34.433  ? 52 A 1 .
ATOM 806  C CD   . LYS Axp A 52 ? -2.145  33.15  133.347 1 39.723  ? 52 A 1 .
ATOM 807  C CE   . LYS Axp A 52 ? -2.702  31.996 134.095 1 45.542  ? 52 A 1 .
ATOM 808  N NZ   . LYS Axp A 52 ? -4.008  32.403 134.608 1 52.112  ? 52 A 1 .
ATOM 809  H H    . LYS Axp A 52 ? 1.34    34.169 132.424 1 29.657  ? 52 A 1 c
ATOM 810  H HA   . LYS Axp A 52 ? 0.709   32.548 130.473 1 29.475  ? 52 A 1 c
ATOM 811  H HB3  . LYS Axp A 52 ? -1.533  33.468 130.657 1 31.659  ? 52 A 1 c
ATOM 812  H HB2  . LYS Axp A 52 ? -0.94   34.609 131.593 1 31.678  ? 52 A 1 c
ATOM 813  H HG3  . LYS Axp A 52 ? -0.142  32.815 133.033 1 34.684  ? 52 A 1 c
ATOM 814  H HG2  . LYS Axp A 52 ? -1.066  31.845 132.177 1 34.897  ? 52 A 1 c
ATOM 815  H HD3  . LYS Axp A 52 ? -2.846  33.527 132.771 1 39.768  ? 52 A 1 c
ATOM 816  H HD2  . LYS Axp A 52 ? -1.871  33.844 133.985 1 39.71   ? 52 A 1 c
ATOM 817  H HE3  . LYS Axp A 52 ? -2.118  31.76  134.837 1 45.488  ? 52 A 1 c
ATOM 818  H HE2  . LYS Axp A 52 ? -2.806  31.222 133.514 1 45.358  ? 52 A 1 c
ATOM 819  H HZ1  . LYS Axp A 52 ? -4.59   32.509 133.921 1 49.832  ? 52 A 1 c
ATOM 820  H HZ2  . LYS Axp A 52 ? -3.935  33.186 135.059 1 49.888  ? 52 A 1 c
ATOM 821  H HZ3  . LYS Axp A 52 ? -4.326  31.767 135.169 1 49.943  ? 52 A 1 c
ATOM 822  N N    . ALA Axp A 53 ? 0.785   35.563 129.403 1 26.031  ? 53 A 1 .
ATOM 823  C CA   . ALA Axp A 53 ? 0.849   36.381 128.21  1 27.128  ? 53 A 1 .
ATOM 824  C C    . ALA Axp A 53 ? 1.918   35.842 127.268 1 28.118  ? 53 A 1 .
ATOM 825  O O    . ALA Axp A 53 ? 1.614   35.397 126.156 1 27.399  ? 53 A 1 .
ATOM 826  C CB   . ALA Axp A 53 ? 1.12    37.817 128.598 1 28.086  ? 53 A 1 .
ATOM 827  H H    . ALA Axp A 53 ? 0.877   35.96  130.22  1 26.434  ? 53 A 1 c
ATOM 828  H HA   . ALA Axp A 53 ? -0.033  36.328 127.747 1 27.26   ? 53 A 1 c
ATOM 829  H HB3  . ALA Axp A 53 ? 1.286   38.345 127.8   1 27.802  ? 53 A 1 c
ATOM 830  H HB2  . ALA Axp A 53 ? 1.896   37.862 129.178 1 27.789  ? 53 A 1 c
ATOM 831  H HB1  . ALA Axp A 53 ? 0.35    38.18  129.067 1 27.785  ? 53 A 1 c
ATOM 832  N N    . LYS Axp A 54 ? 3.158   35.891 127.769 1 30.534  ? 54 A 1 .
ATOM 833  C CA   . LYS Axp A 54 ? 4.348   35.456 127.06  1 32.815  ? 54 A 1 .
ATOM 834  C C    . LYS Axp A 54 ? 4.166   34.04  126.521 1 30.347  ? 54 A 1 .
ATOM 835  O O    . LYS Axp A 54 ? 4.626   33.739 125.422 1 27.5    ? 54 A 1 .
ATOM 836  C CB   . LYS Axp A 54 ? 5.534   35.4   128.03  1 36.886  ? 54 A 1 .
ATOM 837  C CG   . LYS Axp A 54 ? 6.099   36.696 128.574 1 39.402  ? 54 A 1 .
ATOM 838  C CD   . LYS Axp A 54 ? 7.315   36.42  129.458 1 43.021  ? 54 A 1 .
ATOM 839  C CE   . LYS Axp A 54 ? 8.216   37.6   129.644 1 48.782  ? 54 A 1 .
ATOM 840  N NZ   . LYS Axp A 54 ? 7.486   38.879 129.789 1 57.729  ? 54 A 1 .
ATOM 841  H H    . LYS Axp A 54 ? 3.265   36.209 128.619 1 30.486  ? 54 A 1 c
ATOM 842  H HA   . LYS Axp A 54 ? 4.53    36.081 126.312 1 32.573  ? 54 A 1 c
ATOM 843  H HB3  . LYS Axp A 54 ? 6.263   34.926 127.58  1 36.31   ? 54 A 1 c
ATOM 844  H HB2  . LYS Axp A 54 ? 5.267   34.85  128.796 1 36.409  ? 54 A 1 c
ATOM 845  H HG3  . LYS Axp A 54 ? 5.408   37.155 129.097 1 39.397  ? 54 A 1 c
ATOM 846  H HG2  . LYS Axp A 54 ? 6.361   37.272 127.824 1 39.549  ? 54 A 1 c
ATOM 847  H HD3  . LYS Axp A 54 ? 7.834   35.686 129.063 1 43.333  ? 54 A 1 c
ATOM 848  H HD2  . LYS Axp A 54 ? 7.001   36.119 130.339 1 43.407  ? 54 A 1 c
ATOM 849  H HE3  . LYS Axp A 54 ? 8.81    37.665 128.876 1 49.18   ? 54 A 1 c
ATOM 850  H HE2  . LYS Axp A 54 ? 8.765   37.462 130.436 1 49.28   ? 54 A 1 c
ATOM 851  H HZ1  . LYS Axp A 54 ? 6.741   38.758 130.287 1 54.428  ? 54 A 1 c
ATOM 852  H HZ2  . LYS Axp A 54 ? 7.253   39.196 128.973 1 54.635  ? 54 A 1 c
ATOM 853  H HZ3  . LYS Axp A 54 ? 8.019   39.487 130.199 1 54.704  ? 54 A 1 c
ATOM 854  N N    . TRP Axp A 55 ? 3.538   33.182 127.339 1 28.679  ? 55 A 1 .
ATOM 855  C CA   . TRP Axp A 55 ? 3.389   31.776 127.026 1 27.339  ? 55 A 1 .
ATOM 856  C C    . TRP Axp A 55 ? 2.583   31.62  125.747 1 28.094  ? 55 A 1 .
ATOM 857  O O    . TRP Axp A 55 ? 3.047   31.012 124.784 1 28.26   ? 55 A 1 .
ATOM 858  C CB   . TRP Axp A 55 ? 2.699   31.048 128.174 1 27.836  ? 55 A 1 .
ATOM 859  C CG   . TRP Axp A 55 ? 2.791   29.568 127.984 1 31.042  ? 55 A 1 .
ATOM 860  C CD1  . TRP Axp A 55 ? 3.791   28.775 128.444 1 34.019  ? 55 A 1 .
ATOM 861  C CD2  . TRP Axp A 55 ? 1.907   28.713 127.229 1 33.915  ? 55 A 1 .
ATOM 862  N NE1  . TRP Axp A 55 ? 3.578   27.476 128.066 1 36.564  ? 55 A 1 .
ATOM 863  C CE2  . TRP Axp A 55 ? 2.434   27.409 127.317 1 35.008  ? 55 A 1 .
ATOM 864  C CE3  . TRP Axp A 55 ? 0.729   28.912 126.505 1 33.137  ? 55 A 1 .
ATOM 865  C CZ2  . TRP Axp A 55 ? 1.826   26.32  126.706 1 34.577  ? 55 A 1 .
ATOM 866  C CZ3  . TRP Axp A 55 ? 0.136   27.836 125.893 1 32.466  ? 55 A 1 .
ATOM 867  C CH2  . TRP Axp A 55 ? 0.68    26.562 125.989 1 33.43   ? 55 A 1 .
ATOM 868  H H    . TRP Axp A 55 ? 3.2     33.488 128.131 1 28.779  ? 55 A 1 c
ATOM 869  H HA   . TRP Axp A 55 ? 4.292   31.381 126.891 1 27.84   ? 55 A 1 c
ATOM 870  H HB3  . TRP Axp A 55 ? 1.755   31.314 128.204 1 28.428  ? 55 A 1 c
ATOM 871  H HB2  . TRP Axp A 55 ? 3.136   31.294 129.017 1 28.433  ? 55 A 1 c
ATOM 872  H HD1  . TRP Axp A 55 ? 4.517   29.064 128.976 1 33.847  ? 55 A 1 c
ATOM 873  H HE1  . TRP Axp A 55 ? 4.094   26.801 128.267 1 35.513  ? 55 A 1 c
ATOM 874  H HE3  . TRP Axp A 55 ? 0.355   29.773 126.431 1 33.093  ? 55 A 1 c
ATOM 875  H HZ2  . TRP Axp A 55 ? 2.197   25.457 126.764 1 34.381  ? 55 A 1 c
ATOM 876  H HZ3  . TRP Axp A 55 ? -0.659  27.962 125.403 1 32.874  ? 55 A 1 c
ATOM 877  H HH2  . TRP Axp A 55 ? 0.245   25.843 125.566 1 33.478  ? 55 A 1 c
ATOM 878  N N    . ASP Axp A 56 ? 1.378   32.2   125.754 1 28.287  ? 56 A 1 .
ATOM 879  C CA   . ASP Axp A 56 ? 0.494   32.105 124.611 1 27.738  ? 56 A 1 .
ATOM 880  C C    . ASP Axp A 56 ? 1.246   32.59  123.384 1 25.404  ? 56 A 1 .
ATOM 881  O O    . ASP Axp A 56 ? 1.264   31.928 122.363 1 26.144  ? 56 A 1 .
ATOM 882  C CB   . ASP Axp A 56 ? -0.784  32.896 124.819 1 30.347  ? 56 A 1 .
ATOM 883  C CG   . ASP Axp A 56 ? -1.668  32.441 125.971 1 32.053  ? 56 A 1 .
ATOM 884  O OD1  . ASP Axp A 56 ? -1.963  31.227 126.055 1 31.808  ? 56 A 1 .
ATOM 885  O OD2  . ASP Axp A 56 ? -2.07   33.313 126.765 1 32.126  ? 56 A 1 .
ATOM 886  H H    . ASP Axp A 56 ? 1.106   32.673 126.487 1 28.149  ? 56 A 1 c
ATOM 887  H HA   . ASP Axp A 56 ? 0.254   31.161 124.484 1 27.931  ? 56 A 1 c
ATOM 888  H HB3  . ASP Axp A 56 ? -1.314  32.851 123.996 1 30.079  ? 56 A 1 c
ATOM 889  H HB2  . ASP Axp A 56 ? -0.546  33.835 124.97  1 30.11   ? 56 A 1 c
ATOM 890  N N    . ALA Axp A 57 ? 1.889   33.744 123.496 1 23.788  ? 57 A 1 .
ATOM 891  C CA   . ALA Axp A 57 ? 2.589   34.297 122.353 1 25.38   ? 57 A 1 .
ATOM 892  C C    . ALA Axp A 57 ? 3.58    33.3   121.757 1 25.642  ? 57 A 1 .
ATOM 893  O O    . ALA Axp A 57 ? 3.658   33.163 120.553 1 26.793  ? 57 A 1 .
ATOM 894  C CB   . ALA Axp A 57 ? 3.274   35.575 122.745 1 27.211  ? 57 A 1 .
ATOM 895  H H    . ALA Axp A 57 ? 1.891   34.2   124.289 1 24.58   ? 57 A 1 c
ATOM 896  H HA   . ALA Axp A 57 ? 1.91    34.503 121.653 1 25.443  ? 57 A 1 c
ATOM 897  H HB3  . ALA Axp A 57 ? 3.668   35.989 121.959 1 26.652  ? 57 A 1 c
ATOM 898  H HB2  . ALA Axp A 57 ? 3.972   35.386 123.393 1 26.656  ? 57 A 1 c
ATOM 899  H HB1  . ALA Axp A 57 ? 2.627   36.185 123.139 1 26.652  ? 57 A 1 c
ATOM 900  N N    . TRP Axp A 58 ? 4.384   32.636 122.579 1 27.22   ? 58 A 1 .
ATOM 901  C CA   . TRP Axp A 58 ? 5.28    31.624 122.06  1 27.805  ? 58 A 1 .
ATOM 902  C C    . TRP Axp A 58 ? 4.442   30.48  121.505 1 27.857  ? 58 A 1 .
ATOM 903  O O    . TRP Axp A 58 ? 4.71    29.921 120.448 1 28.309  ? 58 A 1 .
ATOM 904  C CB   . TRP Axp A 58 ? 6.227   31.146 123.165 1 29.91   ? 58 A 1 .
ATOM 905  C CG   . TRP Axp A 58 ? 7.231   30.129 122.693 1 33.208  ? 58 A 1 .
ATOM 906  C CD1  . TRP Axp A 58 ? 7.512   29.789 121.401 1 38.354  ? 58 A 1 .
ATOM 907  C CD2  . TRP Axp A 58 ? 8.104   29.322 123.501 1 30.777  ? 58 A 1 .
ATOM 908  N NE1  . TRP Axp A 58 ? 8.492   28.835 121.347 1 37.394  ? 58 A 1 .
ATOM 909  C CE2  . TRP Axp A 58 ? 8.866   28.526 122.618 1 33.07   ? 58 A 1 .
ATOM 910  C CE3  . TRP Axp A 58 ? 8.294   29.191 124.869 1 29.927  ? 58 A 1 .
ATOM 911  C CZ2  . TRP Axp A 58 ? 9.805   27.61  123.053 1 34.078  ? 58 A 1 .
ATOM 912  C CZ3  . TRP Axp A 58 ? 9.229   28.288 125.305 1 33.763  ? 58 A 1 .
ATOM 913  C CH2  . TRP Axp A 58 ? 9.97    27.509 124.411 1 35.917  ? 58 A 1 .
ATOM 914  H H    . TRP Axp A 58 ? 4.378   32.816 123.475 1 26.952  ? 58 A 1 c
ATOM 915  H HA   . TRP Axp A 58 ? 5.82    32.02  121.324 1 28.136  ? 58 A 1 c
ATOM 916  H HB3  . TRP Axp A 58 ? 5.692   30.754 123.887 1 30.139  ? 58 A 1 c
ATOM 917  H HB2  . TRP Axp A 58 ? 6.706   31.924 123.524 1 30.139  ? 58 A 1 c
ATOM 918  H HD1  . TRP Axp A 58 ? 7.106   30.166 120.639 1 36.527  ? 58 A 1 c
ATOM 919  H HE1  . TRP Axp A 58 ? 8.814   28.478 120.619 1 36.453  ? 58 A 1 c
ATOM 920  H HE3  . TRP Axp A 58 ? 7.796   29.709 125.479 1 31.072  ? 58 A 1 c
ATOM 921  H HZ2  . TRP Axp A 58 ? 10.307  27.091 122.453 1 34.248  ? 58 A 1 c
ATOM 922  H HZ3  . TRP Axp A 58 ? 9.373   28.186 126.231 1 33.281  ? 58 A 1 c
ATOM 923  H HH2  . TRP Axp A 58 ? 10.603  26.903 124.749 1 34.847  ? 58 A 1 c
ATOM 924  N N    . ASN Axp A 59 ? 3.362   30.178 122.207 1 28.82   ? 59 A 1 .
ATOM 925  C CA   . ASN Axp A 59 ? 2.433   29.172 121.723 1 32.569  ? 59 A 1 .
ATOM 926  C C    . ASN Axp A 59 ? 1.92    29.519 120.323 1 34.156  ? 59 A 1 .
ATOM 927  O O    . ASN Axp A 59 ? 1.8     28.66  119.456 1 29.723  ? 59 A 1 .
ATOM 928  C CB   . ASN Axp A 59 ? 1.26    29.032 122.681 1 32.895  ? 59 A 1 .
ATOM 929  C CG   . ASN Axp A 59 ? 0.35    27.904 122.282 1 29.497  ? 59 A 1 .
ATOM 930  O OD1  . ASN Axp A 59 ? 0.717   26.734 122.42  1 25.665  ? 59 A 1 .
ATOM 931  N ND2  . ASN Axp A 59 ? -0.831  28.256 121.799 1 29.584  ? 59 A 1 .
ATOM 932  H H    . ASN Axp A 59 ? 3.203   30.584 123.01  1 29.358  ? 59 A 1 c
ATOM 933  H HA   . ASN Axp A 59 ? 2.9     28.307 121.687 1 32.123  ? 59 A 1 c
ATOM 934  H HB3  . ASN Axp A 59 ? 0.749   29.862 122.692 1 31.859  ? 59 A 1 c
ATOM 935  H HB2  . ASN Axp A 59 ? 1.598   28.869 123.584 1 31.977  ? 59 A 1 c
ATOM 936  H HD21 . ASN Axp A 59 ? -1.094  27.954 121.008 1 29.561  ? 59 A 1 c
ATOM 937  H HD22 . ASN Axp A 59 ? -1.358  28.794 122.268 1 29.575  ? 59 A 1 c
ATOM 938  N N    . GLN Axp A 60 ? 1.649   30.809 120.118 1 42.226  ? 60 A 1 .
ATOM 939  C CA   . GLN Axp A 60 ? 1.156   31.332 118.855 1 49.063  ? 60 A 1 .
ATOM 940  C C    . GLN Axp A 60 ? 2.179   31.163 117.735 1 50.207  ? 60 A 1 .
ATOM 941  O O    . GLN Axp A 60 ? 1.918   31.629 116.635 1 62.154  ? 60 A 1 .
ATOM 942  C CB   . GLN Axp A 60 ? 0.863   32.842 118.899 1 55.223  ? 60 A 1 .
ATOM 943  C CG   . GLN Axp A 60 ? -0.397  33.235 119.659 1 62.517  ? 60 A 1 .
ATOM 944  C CD   . GLN Axp A 60 ? -1.561  32.366 119.256 1 75.696  ? 60 A 1 .
ATOM 945  O OE1  . GLN Axp A 60 ? -1.981  32.37  118.091 1 84.404  ? 60 A 1 .
ATOM 946  N NE2  . GLN Axp A 60 ? -2.026  31.551 120.197 1 79.493  ? 60 A 1 .
ATOM 947  H H    . GLN Axp A 60 ? 1.764   31.395 120.809 1 41.136  ? 60 A 1 c
ATOM 948  H HA   . GLN Axp A 60 ? 0.335   30.836 118.61  1 48.987  ? 60 A 1 c
ATOM 949  H HB3  . GLN Axp A 60 ? 0.784   33.174 117.981 1 55.28   ? 60 A 1 c
ATOM 950  H HB2  . GLN Axp A 60 ? 1.628   33.295 119.308 1 55.039  ? 60 A 1 c
ATOM 951  H HG3  . GLN Axp A 60 ? -0.613  34.173 119.473 1 63.476  ? 60 A 1 c
ATOM 952  H HG2  . GLN Axp A 60 ? -0.241  33.145 120.623 1 63.268  ? 60 A 1 c
ATOM 953  H HE21 . GLN Axp A 60 ? -2.085  30.68  120.038 1 78.305  ? 60 A 1 c
ATOM 954  H HE22 . GLN Axp A 60 ? -2.276  31.879 120.982 1 78.305  ? 60 A 1 c
ATOM 955  N N    . LEU Axp A 61 ? 3.331   30.528 117.979 1 47.965  ? 61 A 1 .
ATOM 956  C CA   . LEU Axp A 61 ? 4.359   30.448 116.952 1 43.085  ? 61 A 1 .
ATOM 957  C C    . LEU Axp A 61 ? 4.712   28.999 116.624 1 43.516  ? 61 A 1 .
ATOM 958  O O    . LEU Axp A 61 ? 5.746   28.756 116.002 1 44.042  ? 61 A 1 .
ATOM 959  C CB   . LEU Axp A 61 ? 5.585   31.212 117.445 1 41.661  ? 61 A 1 .
ATOM 960  C CG   . LEU Axp A 61 ? 5.636   32.719 117.193 1 40.734  ? 61 A 1 .
ATOM 961  C CD1  . LEU Axp A 61 ? 6.886   33.362 117.834 1 42.356  ? 61 A 1 .
ATOM 962  C CD2  . LEU Axp A 61 ? 5.647   32.98  115.714 1 43.39   ? 61 A 1 .
ATOM 963  H H    . LEU Axp A 61 ? 3.491   30.151 118.794 1 46.959  ? 61 A 1 c
ATOM 964  H HA   . LEU Axp A 61 ? 4.017   30.878 116.129 1 43.937  ? 61 A 1 c
ATOM 965  H HB3  . LEU Axp A 61 ? 6.384   30.808 117.035 1 41.79   ? 61 A 1 c
ATOM 966  H HB2  . LEU Axp A 61 ? 5.666   31.061 118.415 1 41.744  ? 61 A 1 c
ATOM 967  H HG   . LEU Axp A 61 ? 4.825   33.135 117.586 1 41.688  ? 61 A 1 c
ATOM 968  H HD11 . LEU Axp A 61 ? 7.086   32.911 118.67  1 41.667  ? 61 A 1 c
ATOM 969  H HD12 . LEU Axp A 61 ? 6.715   34.303 118.007 1 41.739  ? 61 A 1 c
ATOM 970  H HD13 . LEU Axp A 61 ? 7.643   33.275 117.231 1 41.779  ? 61 A 1 c
ATOM 971  H HD21 . LEU Axp A 61 ? 4.742   32.919 115.367 1 42.586  ? 61 A 1 c
ATOM 972  H HD22 . LEU Axp A 61 ? 6.208   32.322 115.27  1 42.571  ? 61 A 1 c
ATOM 973  H HD23 . LEU Axp A 61 ? 5.998   33.87  115.543 1 42.578  ? 61 A 1 c
ATOM 974  N N    . LYS Axp A 62 ? 3.879   28.04  117.044 1 42.984  ? 62 A 1 .
ATOM 975  C CA   . LYS Axp A 62 ? 4.188   26.645 116.802 1 44.795  ? 62 A 1 .
ATOM 976  C C    . LYS Axp A 62 ? 4.374   26.454 115.3   1 43.755  ? 62 A 1 .
ATOM 977  O O    . LYS Axp A 62 ? 3.69    27.098 114.513 1 41.688  ? 62 A 1 .
ATOM 978  C CB   . LYS Axp A 62 ? 3.097   25.72  117.351 1 48.697  ? 62 A 1 .
ATOM 979  C CG   . LYS Axp A 62 ? 3.381   24.224 117.179 1 51.804  ? 62 A 1 .
ATOM 980  C CD   . LYS Axp A 62 ? 2.52    23.304 118.041 1 53.274  ? 62 A 1 .
ATOM 981  C CE   . LYS Axp A 62 ? 2.938   23.264 119.483 1 55.989  ? 62 A 1 .
ATOM 982  N NZ   . LYS Axp A 62 ? 1.85    22.817 120.359 1 57.014  ? 62 A 1 .
ATOM 983  H H    . LYS Axp A 62 ? 3.105   28.257 117.479 1 43.602  ? 62 A 1 c
ATOM 984  H HA   . LYS Axp A 62 ? 5.038   26.436 117.26  1 44.977  ? 62 A 1 c
ATOM 985  H HB3  . LYS Axp A 62 ? 2.251   25.929 116.899 1 48.474  ? 62 A 1 c
ATOM 986  H HB2  . LYS Axp A 62 ? 2.978   25.907 118.306 1 48.536  ? 62 A 1 c
ATOM 987  H HG3  . LYS Axp A 62 ? 4.326   24.063 117.39  1 51.399  ? 62 A 1 c
ATOM 988  H HG2  . LYS Axp A 62 ? 3.244   23.99  116.235 1 51.369  ? 62 A 1 c
ATOM 989  H HD3  . LYS Axp A 62 ? 2.563   22.394 117.673 1 53.553  ? 62 A 1 c
ATOM 990  H HD2  . LYS Axp A 62 ? 1.587   23.603 117.988 1 53.569  ? 62 A 1 c
ATOM 991  H HE3  . LYS Axp A 62 ? 3.225   24.151 119.765 1 55.492  ? 62 A 1 c
ATOM 992  H HE2  . LYS Axp A 62 ? 3.693   22.657 119.583 1 55.576  ? 62 A 1 c
ATOM 993  H HZ1  . LYS Axp A 62 ? 1.536   22.017 120.073 1 56.692  ? 62 A 1 c
ATOM 994  H HZ2  . LYS Axp A 62 ? 1.177   23.423 120.346 1 56.675  ? 62 A 1 c
ATOM 995  H HZ3  . LYS Axp A 62 ? 2.156   22.73  121.207 1 56.692  ? 62 A 1 c
ATOM 996  N N    . GLY Axp A 63 ? 5.308   25.578 114.917 1 42.539  ? 63 A 1 .
ATOM 997  C CA   . GLY Axp A 63 ? 5.519   25.25  113.525 1 42.625  ? 63 A 1 .
ATOM 998  C C    . GLY Axp A 63 ? 6.67    26.04  112.915 1 47.603  ? 63 A 1 .
ATOM 999  O O    . GLY Axp A 63 ? 7.467   25.472 112.18  1 65.934  ? 63 A 1 .
ATOM 1000 H H    . GLY Axp A 63 ? 5.824   25.168 115.549 1 42.93   ? 63 A 1 c
ATOM 1001 H HA3  . GLY Axp A 63 ? 4.692   25.432 113.019 1 43.656  ? 63 A 1 c
ATOM 1002 H HA2  . GLY Axp A 63 ? 5.71    24.286 113.451 1 43.666  ? 63 A 1 c
ATOM 1003 N N    . THR Axp A 64 ? 6.781   27.336 113.216 1 47.474  ? 64 A 1 .
ATOM 1004 C CA   . THR Axp A 64 ? 7.784   28.199 112.591 1 48.495  ? 64 A 1 .
ATOM 1005 C C    . THR Axp A 64 ? 9.178   27.552 112.614 1 49.279  ? 64 A 1 .
ATOM 1006 O O    . THR Axp A 64 ? 9.484   26.748 113.485 1 51.401  ? 64 A 1 .
ATOM 1007 C CB   . THR Axp A 64 ? 7.774   29.55  113.315 1 47.781  ? 64 A 1 .
ATOM 1008 O OG1  . THR Axp A 64 ? 6.583   30.286 113.035 1 46.584  ? 64 A 1 .
ATOM 1009 C CG2  . THR Axp A 64 ? 8.869   30.486 112.846 1 45.754  ? 64 A 1 .
ATOM 1010 H H    . THR Axp A 64 ? 6.21    27.703 113.828 1 47.636  ? 64 A 1 c
ATOM 1011 H HA   . THR Axp A 64 ? 7.522   28.346 111.656 1 48.315  ? 64 A 1 c
ATOM 1012 H HB   . THR Axp A 64 ? 7.854   29.411 114.289 1 47.293  ? 64 A 1 c
ATOM 1013 H HG1  . THR Axp A 64 ? 6.339   30.569 112.263 0 37.21   ? 64 A 1 c
ATOM 1014 H HG21 . THR Axp A 64 ? 8.648   31.399 113.099 1 46.392  ? 64 A 1 c
ATOM 1015 H HG22 . THR Axp A 64 ? 8.95    30.431 111.88  1 46.469  ? 64 A 1 c
ATOM 1016 H HG23 . THR Axp A 64 ? 9.712   30.234 113.257 1 46.46   ? 64 A 1 c
ATOM 1017 N N    . SER Axp A 65 ? 10.039  27.924 111.659 1 50.069  ? 65 A 1 .
ATOM 1018 C CA   . SER Axp A 65 ? 11.445  27.53  111.645 1 50.894  ? 65 A 1 .
ATOM 1019 C C    . SER Axp A 65 ? 12.322  28.52  112.417 1 52.393  ? 65 A 1 .
ATOM 1020 O O    . SER Axp A 65 ? 12.088  29.733 112.392 1 61.405  ? 65 A 1 .
ATOM 1021 C CB   . SER Axp A 65 ? 11.952  27.468 110.232 1 52.321  ? 65 A 1 .
ATOM 1022 O OG   . SER Axp A 65 ? 12.439  28.746 109.828 1 47.267  ? 65 A 1 .
ATOM 1023 H H    . SER Axp A 65 ? 9.731   28.449 110.978 1 50.007  ? 65 A 1 c
ATOM 1024 H HA   . SER Axp A 65 ? 11.531  26.633 112.058 1 51.264  ? 65 A 1 c
ATOM 1025 H HB3  . SER Axp A 65 ? 11.229  27.189 109.638 1 50.743  ? 65 A 1 c
ATOM 1026 H HB2  . SER Axp A 65 ? 12.671  26.81  110.174 1 50.75   ? 65 A 1 c
ATOM 1027 H HG   . SER Axp A 65 ? 12.645  28.896 109.038 0 36.5    ? 65 A 1 c
ATOM 1028 N N    . LYS Axp A 66 ? 13.409  28.004 113.004 1 50.368  ? 66 A 1 .
ATOM 1029 C CA   . LYS Axp A 66 ? 14.369  28.854 113.7   1 57.777  ? 66 A 1 .
ATOM 1030 C C    . LYS Axp A 66 ? 14.87   29.944 112.751 1 58.398  ? 66 A 1 .
ATOM 1031 O O    . LYS Axp A 66 ? 15.201  31.069 113.145 1 51.097  ? 66 A 1 .
ATOM 1032 C CB   . LYS Axp A 66 ? 15.555  28.029 114.212 1 62.938  ? 66 A 1 .
ATOM 1033 C CG   . LYS Axp A 66 ? 15.17   26.885 115.139 1 68.591  ? 66 A 1 .
ATOM 1034 C CD   . LYS Axp A 66 ? 16.386  26.164 115.703 1 73.322  ? 66 A 1 .
ATOM 1035 C CE   . LYS Axp A 66 ? 16.01   25.003 116.561 1 75.101  ? 66 A 1 .
ATOM 1036 N NZ   . LYS Axp A 66 ? 17.213  24.234 116.893 1 74.902  ? 66 A 1 .
ATOM 1037 H H    . LYS Axp A 66 ? 13.562  27.105 112.957 1 52.683  ? 66 A 1 c
ATOM 1038 H HA   . LYS Axp A 66 ? 13.912  29.279 114.469 1 57.179  ? 66 A 1 c
ATOM 1039 H HB3  . LYS Axp A 66 ? 16.169  28.623 114.692 1 62.909  ? 66 A 1 c
ATOM 1040 H HB2  . LYS Axp A 66 ? 16.038  27.658 113.443 1 62.95   ? 66 A 1 c
ATOM 1041 H HG3  . LYS Axp A 66 ? 14.618  26.243 114.643 1 68.042  ? 66 A 1 c
ATOM 1042 H HG2  . LYS Axp A 66 ? 14.634  27.243 115.879 1 68.237  ? 66 A 1 c
ATOM 1043 H HD3  . LYS Axp A 66 ? 16.916  26.797 116.234 1 72.629  ? 66 A 1 c
ATOM 1044 H HD2  . LYS Axp A 66 ? 16.944  25.847 114.96  1 72.641  ? 66 A 1 c
ATOM 1045 H HE3  . LYS Axp A 66 ? 15.38   24.429 116.088 1 74.644  ? 66 A 1 c
ATOM 1046 H HE2  . LYS Axp A 66 ? 15.591  25.317 117.382 1 74.644  ? 66 A 1 c
ATOM 1047 H HZ1  . LYS Axp A 66 ? 17.82   24.772 117.297 1 74.95   ? 66 A 1 c
ATOM 1048 H HZ2  . LYS Axp A 66 ? 17.577  23.891 116.137 1 74.945  ? 66 A 1 c
ATOM 1049 H HZ3  . LYS Axp A 66 ? 16.998  23.556 117.453 1 74.957  ? 66 A 1 c
ATOM 1050 N N    . GLU Axp A 67 ? 14.918  29.56  111.475 1 62.3    ? 67 A 1 .
ATOM 1051 C CA   . GLU Axp A 67 ? 15.304  30.442 110.392 1 62.702  ? 67 A 1 .
ATOM 1052 C C    . GLU Axp A 67 ? 14.342  31.624 110.312 1 59.695  ? 67 A 1 .
ATOM 1053 O O    . GLU Axp A 67 ? 14.75   32.789 110.368 1 56.06   ? 67 A 1 .
ATOM 1054 C CB   . GLU Axp A 67 ? 15.352  29.588 109.119 1 68.41   ? 67 A 1 .
ATOM 1055 C CG   . GLU Axp A 67 ? 16.761  29.148 108.751 1 70.453  ? 67 A 1 .
ATOM 1056 C CD   . GLU Axp A 67 ? 17.527  30.419 108.435 1 84.032  ? 67 A 1 .
ATOM 1057 O OE1  . GLU Axp A 67 ? 17.107  31.03  107.428 1 97.787  ? 67 A 1 .
ATOM 1058 O OE2  . GLU Axp A 67 ? 18.45   30.847 109.185 1 95.204  ? 67 A 1 .
ATOM 1059 H H    . GLU Axp A 67 ? 14.727  28.689 111.274 1 61.36   ? 67 A 1 c
ATOM 1060 H HA   . GLU Axp A 67 ? 16.209  30.789 110.586 1 63.262  ? 67 A 1 c
ATOM 1061 H HB3  . GLU Axp A 67 ? 14.965  30.101 108.378 1 67.659  ? 67 A 1 c
ATOM 1062 H HB2  . GLU Axp A 67 ? 14.802  28.789 109.245 1 67.325  ? 67 A 1 c
ATOM 1063 H HG3  . GLU Axp A 67 ? 16.742  28.564 107.963 1 72.856  ? 67 A 1 c
ATOM 1064 H HG2  . GLU Axp A 67 ? 17.182  28.683 109.505 1 72.856  ? 67 A 1 c
ATOM 1065 N N    . ASP Axp A 68 ? 13.058  31.301 110.158 1 55.832  ? 68 A 1 .
ATOM 1066 C CA   . ASP Axp A 68 ? 12.034  32.322 110.11  1 55.201  ? 68 A 1 .
ATOM 1067 C C    . ASP Axp A 68 ? 12.089  33.12  111.409 1 57.142  ? 68 A 1 .
ATOM 1068 O O    . ASP Axp A 68 ? 12.255  34.349 111.382 1 60.293  ? 68 A 1 .
ATOM 1069 C CB   . ASP Axp A 68 ? 10.699  31.663 109.834 1 55.048  ? 68 A 1 .
ATOM 1070 C CG   . ASP Axp A 68 ? 10.572  31.083 108.439 1 52.081  ? 68 A 1 .
ATOM 1071 O OD1  . ASP Axp A 68 ? 10.657  31.885 107.481 1 49.374  ? 68 A 1 .
ATOM 1072 O OD2  . ASP Axp A 68 ? 10.399  29.848 108.341 1 48.818  ? 68 A 1 .
ATOM 1073 H H    . ASP Axp A 68 ? 12.815  30.422 110.084 1 56.658  ? 68 A 1 c
ATOM 1074 H HA   . ASP Axp A 68 ? 12.238  32.927 109.362 1 55.614  ? 68 A 1 c
ATOM 1075 H HB3  . ASP Axp A 68 ? 9.985   32.322 109.962 1 54.37   ? 68 A 1 c
ATOM 1076 H HB2  . ASP Axp A 68 ? 10.566  30.94  110.481 1 54.301  ? 68 A 1 c
ATOM 1077 N N    . ALA Axp A 69 ? 11.986  32.364 112.521 1 54.822  ? 69 A 1 .
ATOM 1078 C CA   . ALA Axp A 69 ? 12.039  32.884 113.881 1 51.358  ? 69 A 1 .
ATOM 1079 C C    . ALA Axp A 69 ? 13.079  34.006 113.953 1 53.385  ? 69 A 1 .
ATOM 1080 O O    . ALA Axp A 69 ? 12.742  35.191 114.132 1 53.598  ? 69 A 1 .
ATOM 1081 C CB   . ALA Axp A 69 ? 12.327  31.752 114.885 1 48.343  ? 69 A 1 .
ATOM 1082 H H    . ALA Axp A 69 ? 11.87   31.464 112.416 1 54.48   ? 69 A 1 c
ATOM 1083 H HA   . ALA Axp A 69 ? 11.149  33.279 114.092 1 51.82   ? 69 A 1 c
ATOM 1084 H HB3  . ALA Axp A 69 ? 12.267  32.096 115.792 1 49.223  ? 69 A 1 c
ATOM 1085 H HB2  . ALA Axp A 69 ? 13.217  31.398 114.734 1 49.26   ? 69 A 1 c
ATOM 1086 H HB1  . ALA Axp A 69 ? 11.675  31.039 114.769 1 49.248  ? 69 A 1 c
ATOM 1087 N N    . MET Axp A 70 ? 14.344  33.625 113.748 1 52.509  ? 70 A 1 .
ATOM 1088 C CA   . MET Axp A 70 ? 15.434  34.569 113.891 1 57.328  ? 70 A 1 .
ATOM 1089 C C    . MET Axp A 70 ? 15.212  35.729 112.922 1 60.104  ? 70 A 1 .
ATOM 1090 O O    . MET Axp A 70 ? 15.372  36.893 113.3   1 70.29   ? 70 A 1 .
ATOM 1091 C CB   . MET Axp A 70 ? 16.786  33.904 113.611 1 58.546  ? 70 A 1 .
ATOM 1092 C CG   . MET Axp A 70 ? 17.178  32.799 114.576 1 57.962  ? 70 A 1 .
ATOM 1093 S SD   . MET Axp A 70 ? 18.716  32.058 114     1 53.515  ? 70 A 1 .
ATOM 1094 C CE   . MET Axp A 70 ? 17.944  30.746 113.036 1 57.026  ? 70 A 1 .
ATOM 1095 H H    . MET Axp A 70 ? 14.528  32.765 113.5   1 53.782  ? 70 A 1 c
ATOM 1096 H HA   . MET Axp A 70 ? 15.424  34.921 114.818 1 57.054  ? 70 A 1 c
ATOM 1097 H HB3  . MET Axp A 70 ? 17.48   34.597 113.63  1 58.139  ? 70 A 1 c
ATOM 1098 H HB2  . MET Axp A 70 ? 16.765  33.534 112.702 1 58.112  ? 70 A 1 c
ATOM 1099 H HG3  . MET Axp A 70 ? 16.48   32.121 114.619 1 57.118  ? 70 A 1 c
ATOM 1100 H HG2  . MET Axp A 70 ? 17.311  33.169 115.47  1 57.069  ? 70 A 1 c
ATOM 1101 H HE3  . MET Axp A 70 ? 17.375  31.142 112.351 1 56.169  ? 70 A 1 c
ATOM 1102 H HE2  . MET Axp A 70 ? 17.42   30.176 113.627 1 56.171  ? 70 A 1 c
ATOM 1103 H HE1  . MET Axp A 70 ? 18.636  30.211 112.607 1 56.146  ? 70 A 1 c
ATOM 1104 N N    . LYS Axp A 71 ? 14.828  35.4   111.68  1 55.267  ? 71 A 1 .
ATOM 1105 C CA   . LYS Axp A 71 ? 14.758  36.404 110.638 1 58.963  ? 71 A 1 .
ATOM 1106 C C    . LYS Axp A 71 ? 13.863  37.539 111.11  1 53.378  ? 71 A 1 .
ATOM 1107 O O    . LYS Axp A 71 ? 14.315  38.679 111.25  1 51.866  ? 71 A 1 .
ATOM 1108 C CB   . LYS Axp A 71 ? 14.211  35.844 109.324 1 75.953  ? 71 A 1 .
ATOM 1109 C CG   . LYS Axp A 71 ? 13.955  36.916 108.251 1 94.013  ? 71 A 1 .
ATOM 1110 C CD   . LYS Axp A 71 ? 12.921  36.516 107.202 1 108.365 ? 71 A 1 .
ATOM 1111 C CE   . LYS Axp A 71 ? 11.52   36.429 107.741 1 111.741 ? 71 A 1 .
ATOM 1112 N NZ   . LYS Axp A 71 ? 10.579  35.919 106.74  1 114.262 ? 71 A 1 .
ATOM 1113 H H    . LYS Axp A 71 ? 14.614  34.535 111.479 1 57.286  ? 71 A 1 c
ATOM 1114 H HA   . LYS Axp A 71 ? 15.671  36.76  110.485 1 59.874  ? 71 A 1 c
ATOM 1115 H HB3  . LYS Axp A 71 ? 13.374  35.368 109.5   1 75.169  ? 71 A 1 c
ATOM 1116 H HB2  . LYS Axp A 71 ? 14.853  35.195 108.966 1 75.23   ? 71 A 1 c
ATOM 1117 H HG3  . LYS Axp A 71 ? 14.805  37.114 107.801 1 92.419  ? 71 A 1 c
ATOM 1118 H HG2  . LYS Axp A 71 ? 13.654  37.739 108.692 1 92.046  ? 71 A 1 c
ATOM 1119 H HD3  . LYS Axp A 71 ? 13.173  35.643 106.827 1 105.673 ? 71 A 1 c
ATOM 1120 H HD2  . LYS Axp A 71 ? 12.941  37.172 106.471 1 105.673 ? 71 A 1 c
ATOM 1121 H HE3  . LYS Axp A 71 ? 11.229  37.314 108.025 1 111.447 ? 71 A 1 c
ATOM 1122 H HE2  . LYS Axp A 71 ? 11.499  35.842 108.517 1 111.012 ? 71 A 1 c
ATOM 1123 H HZ1  . LYS Axp A 71 ? 10.859  35.111 106.442 1 113.48  ? 71 A 1 c
ATOM 1124 H HZ2  . LYS Axp A 71 ? 10.533  36.495 106.042 1 113.48  ? 71 A 1 c
ATOM 1125 H HZ3  . LYS Axp A 71 ? 9.757   35.832 107.11  1 113.48  ? 71 A 1 c
ATOM 1126 N N    . SER Axp A 72 ? 12.593  37.184 111.348 1 51.362  ? 72 A 1 .
ATOM 1127 C CA   . SER Axp A 72 ? 11.575  38.128 111.786 1 49.989  ? 72 A 1 .
ATOM 1128 C C    . SER Axp A 72 ? 12.067  38.896 113.015 1 42.361  ? 72 A 1 .
ATOM 1129 O O    . SER Axp A 72 ? 11.956  40.127 113.089 1 38.241  ? 72 A 1 .
ATOM 1130 C CB   . SER Axp A 72 ? 10.281  37.409 112.063 1 51.597  ? 72 A 1 .
ATOM 1131 O OG   . SER Axp A 72 ? 10.463  36.485 113.126 1 59.098  ? 72 A 1 .
ATOM 1132 H H    . SER Axp A 72 ? 12.353  36.308 111.242 1 51.877  ? 72 A 1 c
ATOM 1133 H HA   . SER Axp A 72 ? 11.422  38.777 111.055 1 49.127  ? 72 A 1 c
ATOM 1134 H HB3  . SER Axp A 72 ? 9.992   36.934 111.261 1 52.914  ? 72 A 1 c
ATOM 1135 H HB2  . SER Axp A 72 ? 9.593   38.057 112.306 1 52.914  ? 72 A 1 c
ATOM 1136 H HG   . SER Axp A 72 ? 9.729   36.162 113.327 0 21.77   ? 72 A 1 c
ATOM 1137 N N    . TYR Axp A 73 ? 12.639  38.137 113.96  1 38.247  ? 73 A 1 .
ATOM 1138 C CA   . TYR Axp A 73 ? 13.258  38.696 115.153 1 38.2    ? 73 A 1 .
ATOM 1139 C C    . TYR Axp A 73 ? 14.091  39.929 114.807 1 39.026  ? 73 A 1 .
ATOM 1140 O O    . TYR Axp A 73 ? 13.732  41.038 115.186 1 37.954  ? 73 A 1 .
ATOM 1141 C CB   . TYR Axp A 73 ? 14.117  37.646 115.861 1 34.965  ? 73 A 1 .
ATOM 1142 C CG   . TYR Axp A 73 ? 14.861  38.151 117.091 1 33.951  ? 73 A 1 .
ATOM 1143 C CD1  . TYR Axp A 73 ? 14.263  38.175 118.353 1 34.625  ? 73 A 1 .
ATOM 1144 C CD2  . TYR Axp A 73 ? 16.182  38.565 117.016 1 35.303  ? 73 A 1 .
ATOM 1145 C CE1  . TYR Axp A 73 ? 14.943  38.581 119.496 1 33.405  ? 73 A 1 .
ATOM 1146 C CE2  . TYR Axp A 73 ? 16.884  38.964 118.16  1 36.594  ? 73 A 1 .
ATOM 1147 C CZ   . TYR Axp A 73 ? 16.263  38.982 119.408 1 33.785  ? 73 A 1 .
ATOM 1148 O OH   . TYR Axp A 73 ? 16.86   39.387 120.572 1 32.206  ? 73 A 1 .
ATOM 1149 H H    . TYR Axp A 73 ? 12.634  37.228 113.86  1 39.288  ? 73 A 1 c
ATOM 1150 H HA   . TYR Axp A 73 ? 12.533  38.974 115.774 1 37.745  ? 73 A 1 c
ATOM 1151 H HB3  . TYR Axp A 73 ? 14.771  37.295 115.224 1 35.832  ? 73 A 1 c
ATOM 1152 H HB2  . TYR Axp A 73 ? 13.535  36.9   116.129 1 35.514  ? 73 A 1 c
ATOM 1153 H HD1  . TYR Axp A 73 ? 13.367  37.889 118.437 1 34.194  ? 73 A 1 c
ATOM 1154 H HD2  . TYR Axp A 73 ? 16.628  38.54  116.187 1 35.318  ? 73 A 1 c
ATOM 1155 H HE1  . TYR Axp A 73 ? 14.504  38.589 120.329 1 33.791  ? 73 A 1 c
ATOM 1156 H HE2  . TYR Axp A 73 ? 17.778  39.244 118.085 1 35.716  ? 73 A 1 c
ATOM 1157 H HH   . TYR Axp A 73 ? 16.607  39.291 121.131 0 27.65   ? 73 A 1 c
ATOM 1158 N N    . ILE Axp A 74 ? 15.18   39.715 114.058 1 43.358  ? 74 A 1 .
ATOM 1159 C CA   . ILE Axp A 74 ? 16.151  40.755 113.743 1 44.543  ? 74 A 1 .
ATOM 1160 C C    . ILE Axp A 74 ? 15.466  41.917 113.021 1 47.524  ? 74 A 1 .
ATOM 1161 O O    . ILE Axp A 74 ? 15.759  43.07  113.338 1 48.501  ? 74 A 1 .
ATOM 1162 C CB   . ILE Axp A 74 ? 17.342  40.205 112.929 1 43.818  ? 74 A 1 .
ATOM 1163 C CG1  . ILE Axp A 74 ? 17.785  38.796 113.423 1 43.57   ? 74 A 1 .
ATOM 1164 C CG2  . ILE Axp A 74 ? 18.492  41.225 112.943 1 43.907  ? 74 A 1 .
ATOM 1165 C CD1  . ILE Axp A 74 ? 19.149  38.317 112.944 1 44.393  ? 74 A 1 .
ATOM 1166 H H    . ILE Axp A 74 ? 15.302  38.883 113.701 1 42.434  ? 74 A 1 c
ATOM 1167 H HA   . ILE Axp A 74 ? 16.505  41.093 114.584 1 44.733  ? 74 A 1 c
ATOM 1168 H HB   . ILE Axp A 74 ? 17.044  40.109 112.003 1 43.941  ? 74 A 1 c
ATOM 1169 H HG12 . ILE Axp A 74 ? 17.119  38.145 113.13  1 43.954  ? 74 A 1 c
ATOM 1170 H HG13 . ILE Axp A 74 ? 17.786  38.798 114.401 1 43.767  ? 74 A 1 c
ATOM 1171 H HG21 . ILE Axp A 74 ? 18.925  41.237 112.073 1 43.901  ? 74 A 1 c
ATOM 1172 H HG22 . ILE Axp A 74 ? 19.142  40.976 113.62  1 43.929  ? 74 A 1 c
ATOM 1173 H HG23 . ILE Axp A 74 ? 18.146  42.11  113.142 1 43.938  ? 74 A 1 c
ATOM 1174 H HD11 . ILE Axp A 74 ? 19.162  38.298 111.968 1 44.183  ? 74 A 1 c
ATOM 1175 H HD12 . ILE Axp A 74 ? 19.316  37.419 113.287 1 44.186  ? 74 A 1 c
ATOM 1176 H HD13 . ILE Axp A 74 ? 19.844  38.919 113.264 1 44.288  ? 74 A 1 c
ATOM 1177 N N    . ASP Axp A 75 ? 14.577  41.609 112.053 1 49.721  ? 75 A 1 .
ATOM 1178 C CA   . ASP Axp A 75 ? 13.83   42.622 111.31  1 48.946  ? 75 A 1 .
ATOM 1179 C C    . ASP Axp A 75 ? 13.184  43.586 112.296 1 49.279  ? 75 A 1 .
ATOM 1180 O O    . ASP Axp A 75 ? 13.532  44.762 112.354 1 47.254  ? 75 A 1 .
ATOM 1181 C CB   . ASP Axp A 75 ? 12.752  42.012 110.433 1 51.229  ? 75 A 1 .
ATOM 1182 C CG   . ASP Axp A 75 ? 13.241  40.954 109.456 1 61.046  ? 75 A 1 .
ATOM 1183 O OD1  . ASP Axp A 75 ? 14.45   40.968 109.148 1 68.601  ? 75 A 1 .
ATOM 1184 O OD2  . ASP Axp A 75 ? 12.425  40.089 109.051 1 67.277  ? 75 A 1 .
ATOM 1185 H H    . ASP Axp A 75 ? 14.436  40.729 111.852 1 49.022  ? 75 A 1 c
ATOM 1186 H HA   . ASP Axp A 75 ? 14.46   43.121 110.742 1 49.652  ? 75 A 1 c
ATOM 1187 H HB3  . ASP Axp A 75 ? 12.332  42.73  109.914 1 52.769  ? 75 A 1 c
ATOM 1188 H HB2  . ASP Axp A 75 ? 12.059  41.602 110.989 1 52.693  ? 75 A 1 c
ATOM 1189 N N    . LYS Axp A 76 ? 12.305  43.029 113.133 1 52.834  ? 76 A 1 .
ATOM 1190 C CA   . LYS Axp A 76 ? 11.667  43.774 114.205 1 56.092  ? 76 A 1 .
ATOM 1191 C C    . LYS Axp A 76 ? 12.677  44.566 115.038 1 52.647  ? 76 A 1 .
ATOM 1192 O O    . LYS Axp A 76 ? 12.48   45.742 115.316 1 61.06   ? 76 A 1 .
ATOM 1193 C CB   . LYS Axp A 76 ? 10.952  42.833 115.173 1 59.871  ? 76 A 1 .
ATOM 1194 C CG   . LYS Axp A 76 ? 10.212  43.565 116.296 1 63.19   ? 76 A 1 .
ATOM 1195 C CD   . LYS Axp A 76 ? 8.988   44.328 115.804 1 65.027  ? 76 A 1 .
ATOM 1196 C CE   . LYS Axp A 76 ? 7.931   43.408 115.252 1 66.145  ? 76 A 1 .
ATOM 1197 N NZ   . LYS Axp A 76 ? 6.874   44.173 114.59  1 66.697  ? 76 A 1 .
ATOM 1198 H H    . LYS Axp A 76 ? 12.104  42.142 113.043 1 52.667  ? 76 A 1 c
ATOM 1199 H HA   . LYS Axp A 76 ? 11.015  44.403 113.805 1 55.551  ? 76 A 1 c
ATOM 1200 H HB3  . LYS Axp A 76 ? 11.61   42.23  115.577 1 59.301  ? 76 A 1 c
ATOM 1201 H HB2  . LYS Axp A 76 ? 10.312  42.285 114.673 1 59.462  ? 76 A 1 c
ATOM 1202 H HG3  . LYS Axp A 76 ? 10.829  44.19  116.732 1 62.757  ? 76 A 1 c
ATOM 1203 H HG2  . LYS Axp A 76 ? 9.929   42.905 116.966 1 62.814  ? 76 A 1 c
ATOM 1204 H HD3  . LYS Axp A 76 ? 9.259   44.963 115.106 1 64.745  ? 76 A 1 c
ATOM 1205 H HD2  . LYS Axp A 76 ? 8.609   44.841 116.55  1 64.838  ? 76 A 1 c
ATOM 1206 H HE3  . LYS Axp A 76 ? 7.54    42.888 115.977 1 65.855  ? 76 A 1 c
ATOM 1207 H HE2  . LYS Axp A 76 ? 8.317   42.79  114.607 1 65.903  ? 76 A 1 c
ATOM 1208 H HZ1  . LYS Axp A 76 ? 7.218   44.621 113.882 1 66.459  ? 76 A 1 c
ATOM 1209 H HZ2  . LYS Axp A 76 ? 6.515   44.768 115.172 1 66.502  ? 76 A 1 c
ATOM 1210 H HZ3  . LYS Axp A 76 ? 6.225   43.612 114.3   1 66.509  ? 76 A 1 c
ATOM 1211 N N    . VAL Axp A 77 ? 13.743  43.905 115.478 1 45.459  ? 77 A 1 .
ATOM 1212 C CA   . VAL Axp A 77 ? 14.78   44.589 116.219 1 41.68   ? 77 A 1 .
ATOM 1213 C C    . VAL Axp A 77 ? 15.125  45.859 115.455 1 41.707  ? 77 A 1 .
ATOM 1214 O O    . VAL Axp A 77 ? 15.044  46.947 116.004 1 41.853  ? 77 A 1 .
ATOM 1215 C CB   . VAL Axp A 77 ? 16.034  43.727 116.438 1 43.04   ? 77 A 1 .
ATOM 1216 C CG1  . VAL Axp A 77 ? 17.009  44.398 117.394 1 42.509  ? 77 A 1 .
ATOM 1217 C CG2  . VAL Axp A 77 ? 15.692  42.347 116.964 1 45.89   ? 77 A 1 .
ATOM 1218 H H    . VAL Axp A 77 ? 13.831  43.013 115.302 1 46.378  ? 77 A 1 c
ATOM 1219 H HA   . VAL Axp A 77 ? 14.419  44.84  117.092 1 42.64   ? 77 A 1 c
ATOM 1220 H HB   . VAL Axp A 77 ? 16.481  43.625 115.567 1 43.25   ? 77 A 1 c
ATOM 1221 H HG11 . VAL Axp A 77 ? 16.564  44.576 118.24  1 42.668  ? 77 A 1 c
ATOM 1222 H HG12 . VAL Axp A 77 ? 17.318  45.235 117.01  1 42.664  ? 77 A 1 c
ATOM 1223 H HG13 . VAL Axp A 77 ? 17.77   43.813 117.546 1 42.681  ? 77 A 1 c
ATOM 1224 H HG21 . VAL Axp A 77 ? 16.241  42.15  117.742 1 44.98   ? 77 A 1 c
ATOM 1225 H HG22 . VAL Axp A 77 ? 15.862  41.686 116.279 1 44.929  ? 77 A 1 c
ATOM 1226 H HG23 . VAL Axp A 77 ? 14.755  42.316 117.22  1 44.953  ? 77 A 1 c
ATOM 1227 N N    . GLU Axp A 78 ? 15.466  45.702 114.176 1 45.43   ? 78 A 1 .
ATOM 1228 C CA   . GLU Axp A 78 ? 15.798  46.825 113.314 1 50.261  ? 78 A 1 .
ATOM 1229 C C    . GLU Axp A 78 ? 14.69   47.866 113.402 1 49.767  ? 78 A 1 .
ATOM 1230 O O    . GLU Axp A 78 ? 14.948  49.052 113.607 1 51.176  ? 78 A 1 .
ATOM 1231 C CB   . GLU Axp A 78 ? 15.942  46.404 111.847 1 56.996  ? 78 A 1 .
ATOM 1232 C CG   . GLU Axp A 78 ? 17.056  45.397 111.565 1 60.765  ? 78 A 1 .
ATOM 1233 C CD   . GLU Axp A 78 ? 18.466  45.923 111.81  1 64.302  ? 78 A 1 .
ATOM 1234 O OE1  . GLU Axp A 78 ? 18.672  47.109 112.168 1 66.03   ? 78 A 1 .
ATOM 1235 O OE2  . GLU Axp A 78 ? 19.38   45.097 111.622 1 63.15   ? 78 A 1 .
ATOM 1236 H H    . GLU Axp A 78 ? 15.488  44.859 113.825 1 45.729  ? 78 A 1 c
ATOM 1237 H HA   . GLU Axp A 78 ? 16.637  47.227 113.631 1 50.884  ? 78 A 1 c
ATOM 1238 H HB3  . GLU Axp A 78 ? 16.119  47.205 111.311 1 56.178  ? 78 A 1 c
ATOM 1239 H HB2  . GLU Axp A 78 ? 15.094  46.028 111.54  1 55.994  ? 78 A 1 c
ATOM 1240 H HG3  . GLU Axp A 78 ? 16.992  45.108 110.629 1 60.609  ? 78 A 1 c
ATOM 1241 H HG2  . GLU Axp A 78 ? 16.921  44.607 112.124 1 60.363  ? 78 A 1 c
ATOM 1242 N N    . GLU Axp A 79 ? 13.453  47.384 113.258 1 47.67   ? 79 A 1 .
ATOM 1243 C CA   . GLU Axp A 79 ? 12.276  48.221 113.377 1 44.279  ? 79 A 1 .
ATOM 1244 C C    . GLU Axp A 79 ? 12.37   49.083 114.635 1 45.584  ? 79 A 1 .
ATOM 1245 O O    . GLU Axp A 79 ? 12.138  50.278 114.57  1 51.724  ? 79 A 1 .
ATOM 1246 C CB   . GLU Axp A 79 ? 11.062  47.299 113.377 1 44.09   ? 79 A 1 .
ATOM 1247 C CG   . GLU Axp A 79 ? 9.738   48.003 113.145 1 48.071  ? 79 A 1 .
ATOM 1248 C CD   . GLU Axp A 79 ? 8.597   47.024 112.899 1 53.251  ? 79 A 1 .
ATOM 1249 O OE1  . GLU Axp A 79 ? 8.788   45.968 112.258 1 50.907  ? 79 A 1 .
ATOM 1250 O OE2  . GLU Axp A 79 ? 7.475   47.336 113.345 1 62.068  ? 79 A 1 .
ATOM 1251 H H    . GLU Axp A 79 ? 13.343  46.497 113.067 1 47.455  ? 79 A 1 c
ATOM 1252 H HA   . GLU Axp A 79 ? 12.234  48.816 112.585 1 45.163  ? 79 A 1 c
ATOM 1253 H HB3  . GLU Axp A 79 ? 11.009  46.845 114.241 1 45.186  ? 79 A 1 c
ATOM 1254 H HB2  . GLU Axp A 79 ? 11.184  46.615 112.686 1 45.148  ? 79 A 1 c
ATOM 1255 H HG3  . GLU Axp A 79 ? 9.82    48.595 112.37  1 48.26   ? 79 A 1 c
ATOM 1256 H HG2  . GLU Axp A 79 ? 9.52    48.553 113.928 1 48.321  ? 79 A 1 c
ATOM 1257 N N    . LEU Axp A 80 ? 12.716  48.485 115.779 1 47.695  ? 80 A 1 .
ATOM 1258 C CA   . LEU Axp A 80 ? 12.765  49.197 117.049 1 50.556  ? 80 A 1 .
ATOM 1259 C C    . LEU Axp A 80 ? 14      50.079 117.15  1 58.45   ? 80 A 1 .
ATOM 1260 O O    . LEU Axp A 80 ? 13.954  51.091 117.847 1 68.352  ? 80 A 1 .
ATOM 1261 C CB   . LEU Axp A 80 ? 12.746  48.234 118.227 1 51.027  ? 80 A 1 .
ATOM 1262 C CG   . LEU Axp A 80 ? 11.533  47.306 118.266 1 56.479  ? 80 A 1 .
ATOM 1263 C CD1  . LEU Axp A 80 ? 11.723  46.362 119.425 1 60.828  ? 80 A 1 .
ATOM 1264 C CD2  . LEU Axp A 80 ? 10.206  48.058 118.381 1 57.502  ? 80 A 1 .
ATOM 1265 H H    . LEU Axp A 80 ? 12.926  47.595 115.768 1 47.87   ? 80 A 1 c
ATOM 1266 H HA   . LEU Axp A 80 ? 11.967  49.78  117.102 1 51.468  ? 80 A 1 c
ATOM 1267 H HB3  . LEU Axp A 80 ? 12.765  48.762 119.059 1 52.377  ? 80 A 1 c
ATOM 1268 H HB2  . LEU Axp A 80 ? 13.562  47.684 118.19  1 52.275  ? 80 A 1 c
ATOM 1269 H HG   . LEU Axp A 80 ? 11.518  46.773 117.431 1 56.314  ? 80 A 1 c
ATOM 1270 H HD11 . LEU Axp A 80 ? 12.573  45.899 119.333 1 59.424  ? 80 A 1 c
ATOM 1271 H HD12 . LEU Axp A 80 ? 11.001  45.712 119.436 1 59.505  ? 80 A 1 c
ATOM 1272 H HD13 . LEU Axp A 80 ? 11.718  46.864 120.257 1 59.603  ? 80 A 1 c
ATOM 1273 H HD21 . LEU Axp A 80 ? 9.981   48.454 117.523 1 57.205  ? 80 A 1 c
ATOM 1274 H HD22 . LEU Axp A 80 ? 10.286  48.76  119.049 1 57.205  ? 80 A 1 c
ATOM 1275 H HD23 . LEU Axp A 80 ? 9.503   47.44  118.646 1 57.22   ? 80 A 1 c
ATOM 1276 N N    . LYS Axp A 81 ? 15.086  49.681 116.478 1 62.512  ? 81 A 1 .
ATOM 1277 C CA   . LYS Axp A 81 ? 16.309  50.464 116.456 1 64.962  ? 81 A 1 .
ATOM 1278 C C    . LYS Axp A 81 ? 15.968  51.888 116.033 1 63.439  ? 81 A 1 .
ATOM 1279 O O    . LYS Axp A 81 ? 16.459  52.845 116.628 1 68.355  ? 81 A 1 .
ATOM 1280 C CB   . LYS Axp A 81 ? 17.337  49.838 115.505 1 73.066  ? 81 A 1 .
ATOM 1281 C CG   . LYS Axp A 81 ? 17.815  48.436 115.919 1 79.836  ? 81 A 1 .
ATOM 1282 C CD   . LYS Axp A 81 ? 18.849  47.745 115.027 1 80.825  ? 81 A 1 .
ATOM 1283 C CE   . LYS Axp A 81 ? 20.159  48.463 114.96  1 81.715  ? 81 A 1 .
ATOM 1284 N NZ   . LYS Axp A 81 ? 21.07   47.793 114.032 1 80.158  ? 81 A 1 .
ATOM 1285 H H    . LYS Axp A 81 ? 15.063  48.891 116.02  1 62.051  ? 81 A 1 c
ATOM 1286 H HA   . LYS Axp A 81 ? 16.685  50.484 117.373 1 65.577  ? 81 A 1 c
ATOM 1287 H HB3  . LYS Axp A 81 ? 18.117  50.43  115.457 1 72.643  ? 81 A 1 c
ATOM 1288 H HB2  . LYS Axp A 81 ? 16.949  49.784 114.607 1 72.433  ? 81 A 1 c
ATOM 1289 H HG3  . LYS Axp A 81 ? 17.031  47.857 115.98  1 77.603  ? 81 A 1 c
ATOM 1290 H HG2  . LYS Axp A 81 ? 18.188  48.503 116.825 1 78.292  ? 81 A 1 c
ATOM 1291 H HD3  . LYS Axp A 81 ? 18.484  47.674 114.125 1 80.236  ? 81 A 1 c
ATOM 1292 H HD2  . LYS Axp A 81 ? 19.001  46.834 115.363 1 80.695  ? 81 A 1 c
ATOM 1293 H HE3  . LYS Axp A 81 ? 20.566  48.488 115.844 1 81.122  ? 81 A 1 c
ATOM 1294 H HE2  . LYS Axp A 81 ? 20.02   49.379 114.661 1 81.042  ? 81 A 1 c
ATOM 1295 H HZ1  . LYS Axp A 81 ? 20.778  47.906 113.182 1 80.637  ? 81 A 1 c
ATOM 1296 H HZ2  . LYS Axp A 81 ? 21.105  46.907 114.218 1 80.647  ? 81 A 1 c
ATOM 1297 H HZ3  . LYS Axp A 81 ? 21.9    48.146 114.11  1 80.637  ? 81 A 1 c
ATOM 1298 N N    . LYS Axp A 82 ? 15.099  51.995 115.019 1 60.671  ? 82 A 1 .
ATOM 1299 C CA   . LYS Axp A 82 ? 14.618  53.272 114.511 1 65.326  ? 82 A 1 .
ATOM 1300 C C    . LYS Axp A 82 ? 13.642  53.893 115.508 1 65.756  ? 82 A 1 .
ATOM 1301 O O    . LYS Axp A 82 ? 13.851  55.017 115.96  1 67.666  ? 82 A 1 .
ATOM 1302 C CB   . LYS Axp A 82 ? 13.994  53.075 113.121 1 71.829  ? 82 A 1 .
ATOM 1303 C CG   . LYS Axp A 82 ? 15.037  52.688 112.072 1 83.764  ? 82 A 1 .
ATOM 1304 C CD   . LYS Axp A 82 ? 14.579  51.957 110.808 1 90.115  ? 82 A 1 .
ATOM 1305 C CE   . LYS Axp A 82 ? 15.737  51.239 110.141 1 92.99   ? 82 A 1 .
ATOM 1306 N NZ   . LYS Axp A 82 ? 15.363  50.006 109.435 1 92.217  ? 82 A 1 .
ATOM 1307 H H    . LYS Axp A 82 ? 14.801  51.231 114.616 1 62.484  ? 82 A 1 c
ATOM 1308 H HA   . LYS Axp A 82 ? 15.396  53.879 114.418 1 65.605  ? 82 A 1 c
ATOM 1309 H HB3  . LYS Axp A 82 ? 13.555  53.906 112.842 1 72.804  ? 82 A 1 c
ATOM 1310 H HB2  . LYS Axp A 82 ? 13.313  52.37  113.167 1 72.745  ? 82 A 1 c
ATOM 1311 H HG3  . LYS Axp A 82 ? 15.712  52.13  112.517 1 82.1    ? 82 A 1 c
ATOM 1312 H HG2  . LYS Axp A 82 ? 15.497  53.51  111.795 1 82.193  ? 82 A 1 c
ATOM 1313 H HD3  . LYS Axp A 82 ? 14.194  52.605 110.178 1 89.283  ? 82 A 1 c
ATOM 1314 H HD2  . LYS Axp A 82 ? 13.885  51.303 111.043 1 89.3    ? 82 A 1 c
ATOM 1315 H HE3  . LYS Axp A 82 ? 16.408  51.015 110.81  1 92.016  ? 82 A 1 c
ATOM 1316 H HE2  . LYS Axp A 82 ? 16.153  51.845 109.502 1 92.121  ? 82 A 1 c
ATOM 1317 H HZ1  . LYS Axp A 82 ? 14.81   50.204 108.745 1 92.449  ? 82 A 1 c
ATOM 1318 H HZ2  . LYS Axp A 82 ? 14.94   49.442 110.004 1 92.433  ? 82 A 1 c
ATOM 1319 H HZ3  . LYS Axp A 82 ? 16.107  49.601 109.113 1 92.449  ? 82 A 1 c
ATOM 1320 N N    . LYS Axp A 83 ? 12.616  53.117 115.88  1 64.525  ? 83 A 1 .
ATOM 1321 C CA   . LYS Axp A 83 ? 11.468  53.576 116.648 1 58.003  ? 83 A 1 .
ATOM 1322 C C    . LYS Axp A 83 ? 11.836  54.133 118.029 1 55.042  ? 83 A 1 .
ATOM 1323 O O    . LYS Axp A 83 ? 11.113  54.99  118.529 1 50.021  ? 83 A 1 .
ATOM 1324 C CB   . LYS Axp A 83 ? 10.46   52.432 116.789 1 56.784  ? 83 A 1 .
ATOM 1325 C CG   . LYS Axp A 83 ? 9.135   52.895 117.387 1 61.511  ? 83 A 1 .
ATOM 1326 C CD   . LYS Axp A 83 ? 8.023   51.853 117.419 1 70.05   ? 83 A 1 .
ATOM 1327 C CE   . LYS Axp A 83 ? 6.818   52.3   118.209 1 75.157  ? 83 A 1 .
ATOM 1328 N NZ   . LYS Axp A 83 ? 5.818   51.243 118.426 1 79.204  ? 83 A 1 .
ATOM 1329 H H    . LYS Axp A 83 ? 12.636  52.238 115.632 1 63.173  ? 83 A 1 c
ATOM 1330 H HA   . LYS Axp A 83 ? 11.031  54.301 116.133 1 58.431  ? 83 A 1 c
ATOM 1331 H HB3  . LYS Axp A 83 ? 10.84   51.736 117.366 1 58.064  ? 83 A 1 c
ATOM 1332 H HB2  . LYS Axp A 83 ? 10.29   52.038 115.907 1 58.13   ? 83 A 1 c
ATOM 1333 H HG3  . LYS Axp A 83 ? 8.822   53.671 116.874 1 62.207  ? 83 A 1 c
ATOM 1334 H HG2  . LYS Axp A 83 ? 9.301   53.198 118.305 1 62.177  ? 83 A 1 c
ATOM 1335 H HD3  . LYS Axp A 83 ? 8.375   51.025 117.813 1 69.172  ? 83 A 1 c
ATOM 1336 H HD2  . LYS Axp A 83 ? 7.746   51.654 116.498 1 69.13   ? 83 A 1 c
ATOM 1337 H HE3  . LYS Axp A 83 ? 6.389   53.032 117.73  1 74.793  ? 83 A 1 c
ATOM 1338 H HE2  . LYS Axp A 83 ? 7.107   52.647 119.069 1 74.298  ? 83 A 1 c
ATOM 1339 H HZ1  . LYS Axp A 83 ? 6.135   50.446 118.135 1 77.489  ? 83 A 1 c
ATOM 1340 H HZ2  . LYS Axp A 83 ? 5.059   51.443 117.973 1 77.799  ? 83 A 1 c
ATOM 1341 H HZ3  . LYS Axp A 83 ? 5.628   51.181 119.31  1 77.796  ? 83 A 1 c
ATOM 1342 N N    . TYR Axp A 84 ? 12.919  53.661 118.664 1 55.654  ? 84 A 1 .
ATOM 1343 C CA   . TYR Axp A 84 ? 13.265  54.154 119.993 1 61.975  ? 84 A 1 .
ATOM 1344 C C    . TYR Axp A 84 ? 14.696  54.707 120.056 1 68.437  ? 84 A 1 .
ATOM 1345 O O    . TYR Axp A 84 ? 14.937  55.632 120.823 1 76.111  ? 84 A 1 .
ATOM 1346 C CB   . TYR Axp A 84 ? 12.965  53.091 121.066 1 60.369  ? 84 A 1 .
ATOM 1347 C CG   . TYR Axp A 84 ? 11.498  52.673 121.139 1 54.896  ? 84 A 1 .
ATOM 1348 C CD1  . TYR Axp A 84 ? 10.478  53.616 121.225 1 55.512  ? 84 A 1 .
ATOM 1349 C CD2  . TYR Axp A 84 ? 11.115  51.342 121.039 1 51.309  ? 84 A 1 .
ATOM 1350 C CE1  . TYR Axp A 84 ? 9.137   53.254 121.254 1 51.051  ? 84 A 1 .
ATOM 1351 C CE2  . TYR Axp A 84 ? 9.777   50.964 121.077 1 49.7    ? 84 A 1 .
ATOM 1352 C CZ   . TYR Axp A 84 ? 8.78    51.922 121.176 1 46.868  ? 84 A 1 .
ATOM 1353 O OH   . TYR Axp A 84 ? 7.454   51.592 121.172 1 37.076  ? 84 A 1 .
ATOM 1354 H H    . TYR Axp A 84 ? 13.434  53.014 118.276 1 57.16   ? 84 A 1 c
ATOM 1355 H HA   . TYR Axp A 84 ? 12.664  54.921 120.181 1 61.391  ? 84 A 1 c
ATOM 1356 H HB3  . TYR Axp A 84 ? 13.238  53.446 121.941 1 59.446  ? 84 A 1 c
ATOM 1357 H HB2  . TYR Axp A 84 ? 13.513  52.297 120.879 1 59.521  ? 84 A 1 c
ATOM 1358 H HD1  . TYR Axp A 84 ? 10.704  54.531 121.277 1 54.273  ? 84 A 1 c
ATOM 1359 H HD2  . TYR Axp A 84 ? 11.779  50.674 120.969 1 51.778  ? 84 A 1 c
ATOM 1360 H HE1  . TYR Axp A 84 ? 8.471   53.917 121.318 1 50.964  ? 84 A 1 c
ATOM 1361 H HE2  . TYR Axp A 84 ? 9.546   50.054 121.01  1 49.345  ? 84 A 1 c
ATOM 1362 H HH   . TYR Axp A 84 ? 6.968   52.14  121     0 33.15   ? 84 A 1 c
ATOM 1363 N N    . GLY Axp A 85 ? 15.664  54.138 119.32  1 72.88   ? 85 A 1 .
ATOM 1364 C CA   . GLY Axp A 85 ? 17.037  54.637 119.338 1 75.892  ? 85 A 1 .
ATOM 1365 C C    . GLY Axp A 85 ? 17.947  53.916 120.343 1 83.803  ? 85 A 1 .
ATOM 1366 O O    . GLY Axp A 85 ? 17.492  53.411 121.377 1 86.908  ? 85 A 1 .
ATOM 1367 H H    . GLY Axp A 85 ? 15.467  53.413 118.799 1 72.16   ? 85 A 1 c
ATOM 1368 H HA3  . GLY Axp A 85 ? 17.024  55.6   119.55  1 76.799  ? 85 A 1 c
ATOM 1369 H HA2  . GLY Axp A 85 ? 17.417  54.539 118.434 1 76.884  ? 85 A 1 c
ATOM 1370 N N    . ILE Axp A 86 ? 19.258  53.91  120.043 1 93.541  ? 86 A 1 .
ATOM 1371 C CA   . ILE Axp A 86 ? 20.261  53.262 120.883 1 102.462 ? 86 A 1 .
ATOM 1372 C C    . ILE Axp A 86 ? 21.342  54.276 121.315 1 107.891 ? 86 A 1 .
ATOM 1373 O O    . ILE Axp A 86 ? 21.505  54.476 122.552 1 97.267  ? 86 A 1 .
ATOM 1374 C CB   . ILE Axp A 86 ? 20.9    52.07  120.149 1 100.236 ? 86 A 1 .
ATOM 1375 C CG1  . ILE Axp A 86 ? 19.843  51.096 119.613 1 103.76  ? 86 A 1 .
ATOM 1376 C CG2  . ILE Axp A 86 ? 21.929  51.376 121.051 1 97.7    ? 86 A 1 .
ATOM 1377 C CD1  . ILE Axp A 86 ? 18.962  50.484 120.69  1 108.719 ? 86 A 1 .
ATOM 1378 O OXT  . ILE Axp A 86 ? 22.019  54.808 120.406 1 117.754 ? 86 A 1 .
ATOM 1379 H H    . ILE Axp A 86 ? 19.537  54.33  119.281 1 92.735  ? 86 A 1 c
ATOM 1380 H HA   . ILE Axp A 86 ? 19.821  52.925 121.687 1 100.994 ? 86 A 1 c
ATOM 1381 H HB   . ILE Axp A 86 ? 21.382  52.428 119.377 1 100.894 ? 86 A 1 c
ATOM 1382 H HG12 . ILE Axp A 86 ? 20.297  50.374 119.133 1 104.011 ? 86 A 1 c
ATOM 1383 H HG13 . ILE Axp A 86 ? 19.274  51.569 118.972 1 103.991 ? 86 A 1 c
ATOM 1384 H HG21 . ILE Axp A 86 ? 22.008  50.442 120.796 1 98.532  ? 86 A 1 c
ATOM 1385 H HG22 . ILE Axp A 86 ? 21.642  51.434 121.978 1 98.542  ? 86 A 1 c
ATOM 1386 H HG23 . ILE Axp A 86 ? 22.793  51.811 120.954 1 98.513  ? 86 A 1 c
ATOM 1387 H HD11 . ILE Axp A 86 ? 19.488  50.338 121.498 1 106.909 ? 86 A 1 c
ATOM 1388 H HD12 . ILE Axp A 86 ? 18.615  49.629 120.373 1 107.007 ? 86 A 1 c
ATOM 1389 H HD13 . ILE Axp A 86 ? 18.218  51.081 120.89  1 106.817 ? 86 A 1 c
ATOM 1390 N N    . SER Bxp B 1  ? 38.9    18.677 142.903 1 74.124  ? 1  B 1 .
ATOM 1391 C CA   . SER Bxp B 1  ? 39.583  18.656 141.585 1 72.494  ? 1  B 1 .
ATOM 1392 C C    . SER Bxp B 1  ? 39.28   19.951 140.833 1 68.417  ? 1  B 1 .
ATOM 1393 O O    . SER Bxp B 1  ? 38.78   19.947 139.711 1 62.402  ? 1  B 1 .
ATOM 1394 C CB   . SER Bxp B 1  ? 39.17   17.449 140.801 1 75.273  ? 1  B 1 .
ATOM 1395 O OG   . SER Bxp B 1  ? 37.767  17.453 140.569 1 70.209  ? 1  B 1 .
ATOM 1396 H H    . SER Bxp B 1  ? 38.829  17.839 143.227 1 73.607  ? 1  B 1 c
ATOM 1397 H H2   . SER Bxp B 1  ? 38.073  19.029 142.819 1 73.576  ? 1  B 1 c
ATOM 1398 H H3   . SER Bxp B 1  ? 39.374  19.174 143.488 1 73.561  ? 1  B 1 c
ATOM 1399 H HA   . SER Bxp B 1  ? 40.56   18.609 141.744 1 72.544  ? 1  B 1 c
ATOM 1400 H HB3  . SER Bxp B 1  ? 39.415  16.643 141.295 1 73.302  ? 1  B 1 c
ATOM 1401 H HB2  . SER Bxp B 1  ? 39.644  17.44  139.952 1 72.858  ? 1  B 1 c
ATOM 1402 H HG   . SER Bxp B 1  ? 36.731  17.125 140.144 0 45.18   ? 1  B 1 c
ATOM 1403 N N    . GLN Bxp B 2  ? 39.584  21.078 141.476 1 68.162  ? 2  B 1 .
ATOM 1404 C CA   . GLN Bxp B 2  ? 39.635  22.356 140.792 1 63.515  ? 2  B 1 .
ATOM 1405 C C    . GLN Bxp B 2  ? 40.293  22.169 139.431 1 57.873  ? 2  B 1 .
ATOM 1406 O O    . GLN Bxp B 2  ? 39.842  22.726 138.439 1 55.941  ? 2  B 1 .
ATOM 1407 C CB   . GLN Bxp B 2  ? 40.495  23.336 141.588 1 64.921  ? 2  B 1 .
ATOM 1408 C CG   . GLN Bxp B 2  ? 40.338  24.79  141.167 1 64.111  ? 2  B 1 .
ATOM 1409 C CD   . GLN Bxp B 2  ? 38.93   25.286 141.404 1 67.978  ? 2  B 1 .
ATOM 1410 O OE1  . GLN Bxp B 2  ? 38.04   25.125 140.565 1 69.421  ? 2  B 1 .
ATOM 1411 N NE2  . GLN Bxp B 2  ? 38.711  25.892 142.562 1 70.918  ? 2  B 1 .
ATOM 1412 H H    . GLN Bxp B 2  ? 39.769  21.05  142.371 1 67.233  ? 2  B 1 c
ATOM 1413 H HA   . GLN Bxp B 2  ? 38.713  22.695 140.674 1 63.616  ? 2  B 1 c
ATOM 1414 H HB3  . GLN Bxp B 2  ? 41.436  23.08  141.494 1 64.279  ? 2  B 1 c
ATOM 1415 H HB2  . GLN Bxp B 2  ? 40.262  23.257 142.536 1 64.406  ? 2  B 1 c
ATOM 1416 H HG3  . GLN Bxp B 2  ? 40.555  24.882 140.215 1 65.14   ? 2  B 1 c
ATOM 1417 H HG2  . GLN Bxp B 2  ? 40.965  25.347 141.676 1 65.219  ? 2  B 1 c
ATOM 1418 H HE21 . GLN Bxp B 2  ? 38.059  26.49  142.631 1 69.981  ? 2  B 1 c
ATOM 1419 H HE22 . GLN Bxp B 2  ? 39.214  25.698 143.267 1 69.919  ? 2  B 1 c
ATOM 1420 N N    . ALA Bxp B 3  ? 41.387  21.4   139.435 1 56.142  ? 3  B 1 .
ATOM 1421 C CA   . ALA Bxp B 3  ? 42.096  20.995 138.239 1 56.314  ? 3  B 1 .
ATOM 1422 C C    . ALA Bxp B 3  ? 41.125  20.474 137.182 1 50.422  ? 3  B 1 .
ATOM 1423 O O    . ALA Bxp B 3  ? 40.95   21.086 136.134 1 48.122  ? 3  B 1 .
ATOM 1424 C CB   . ALA Bxp B 3  ? 43.099  19.943 138.635 1 62.153  ? 3  B 1 .
ATOM 1425 H H    . ALA Bxp B 3  ? 41.72   21.128 140.241 1 56.923  ? 3  B 1 c
ATOM 1426 H HA   . ALA Bxp B 3  ? 42.574  21.788 137.868 1 56.166  ? 3  B 1 c
ATOM 1427 H HB3  . ALA Bxp B 3  ? 43.443  19.502 137.84  1 60.257  ? 3  B 1 c
ATOM 1428 H HB2  . ALA Bxp B 3  ? 42.675  19.284 139.21  1 60.191  ? 3  B 1 c
ATOM 1429 H HB1  . ALA Bxp B 3  ? 43.835  20.359 139.115 1 60.304  ? 3  B 1 c
ATOM 1430 N N    . GLU Bxp B 4  ? 40.468  19.357 137.503 1 48.068  ? 4  B 1 .
ATOM 1431 C CA   . GLU Bxp B 4  ? 39.529  18.681 136.619 1 46.218  ? 4  B 1 .
ATOM 1432 C C    . GLU Bxp B 4  ? 38.407  19.619 136.171 1 39.266  ? 4  B 1 .
ATOM 1433 O O    . GLU Bxp B 4  ? 37.875  19.466 135.085 1 34.97   ? 4  B 1 .
ATOM 1434 C CB   . GLU Bxp B 4  ? 38.994  17.473 137.389 1 52.41   ? 4  B 1 .
ATOM 1435 C CG   . GLU Bxp B 4  ? 38.352  16.376 136.544 1 59.231  ? 4  B 1 .
ATOM 1436 C CD   . GLU Bxp B 4  ? 37.818  15.22  137.384 1 68.438  ? 4  B 1 .
ATOM 1437 O OE1  . GLU Bxp B 4  ? 38.101  15.185 138.603 1 77.794  ? 4  B 1 .
ATOM 1438 O OE2  . GLU Bxp B 4  ? 37.107  14.347 136.842 1 70.54   ? 4  B 1 .
ATOM 1439 H H    . GLU Bxp B 4  ? 40.604  19.003 138.335 1 48.468  ? 4  B 1 c
ATOM 1440 H HA   . GLU Bxp B 4  ? 40.022  18.367 135.819 1 46.251  ? 4  B 1 c
ATOM 1441 H HB3  . GLU Bxp B 4  ? 38.338  17.786 138.045 1 52.725  ? 4  B 1 c
ATOM 1442 H HB2  . GLU Bxp B 4  ? 39.737  17.065 137.881 1 52.647  ? 4  B 1 c
ATOM 1443 H HG3  . GLU Bxp B 4  ? 39.016  16.025 135.913 1 59.502  ? 4  B 1 c
ATOM 1444 H HG2  . GLU Bxp B 4  ? 37.614  16.756 136.023 1 59.331  ? 4  B 1 c
ATOM 1445 N N    . PHE Bxp B 5  ? 38.009  20.569 137.016 1 38.533  ? 5  B 1 .
ATOM 1446 C CA   . PHE Bxp B 5  ? 36.971  21.52  136.648 1 36.343  ? 5  B 1 .
ATOM 1447 C C    . PHE Bxp B 5  ? 37.535  22.499 135.632 1 33.657  ? 5  B 1 .
ATOM 1448 O O    . PHE Bxp B 5  ? 37.036  22.612 134.526 1 36.558  ? 5  B 1 .
ATOM 1449 C CB   . PHE Bxp B 5  ? 36.449  22.318 137.848 1 38.426  ? 5  B 1 .
ATOM 1450 C CG   . PHE Bxp B 5  ? 35.326  23.3   137.542 1 35.649  ? 5  B 1 .
ATOM 1451 C CD1  . PHE Bxp B 5  ? 33.993  22.879 137.571 1 37.03   ? 5  B 1 .
ATOM 1452 C CD2  . PHE Bxp B 5  ? 35.602  24.632 137.247 1 35.677  ? 5  B 1 .
ATOM 1453 C CE1  . PHE Bxp B 5  ? 32.958  23.761 137.276 1 40.033  ? 5  B 1 .
ATOM 1454 C CE2  . PHE Bxp B 5  ? 34.564  25.525 136.97  1 40.588  ? 5  B 1 .
ATOM 1455 C CZ   . PHE Bxp B 5  ? 33.242  25.082 136.967 1 42.692  ? 5  B 1 .
ATOM 1456 H H    . PHE Bxp B 5  ? 38.381  20.621 137.849 1 38.449  ? 5  B 1 c
ATOM 1457 H HA   . PHE Bxp B 5  ? 36.215  21.031 136.235 1 36.666  ? 5  B 1 c
ATOM 1458 H HB3  . PHE Bxp B 5  ? 37.2    22.814 138.243 1 37.323  ? 5  B 1 c
ATOM 1459 H HB2  . PHE Bxp B 5  ? 36.132  21.681 138.526 1 37.303  ? 5  B 1 c
ATOM 1460 H HD1  . PHE Bxp B 5  ? 33.796  21.976 137.762 1 37.436  ? 5  B 1 c
ATOM 1461 H HD2  . PHE Bxp B 5  ? 36.497  24.931 137.232 1 36.831  ? 5  B 1 c
ATOM 1462 H HE1  . PHE Bxp B 5  ? 32.064  23.46  137.291 1 39.749  ? 5  B 1 c
ATOM 1463 H HE2  . PHE Bxp B 5  ? 34.761  26.423 136.759 1 39.813  ? 5  B 1 c
ATOM 1464 H HZ   . PHE Bxp B 5  ? 32.54   25.687 136.788 1 41.452  ? 5  B 1 c
ATOM 1465 N N    . ASP Bxp B 6  ? 38.586  23.197 136.023 1 32.466  ? 6  B 1 .
ATOM 1466 C CA   . ASP Bxp B 6  ? 39.212  24.145 135.135 1 35.355  ? 6  B 1 .
ATOM 1467 C C    . ASP Bxp B 6  ? 39.397  23.53  133.754 1 37.197  ? 6  B 1 .
ATOM 1468 O O    . ASP Bxp B 6  ? 39.26   24.244 132.77  1 42.049  ? 6  B 1 .
ATOM 1469 C CB   . ASP Bxp B 6  ? 40.549  24.604 135.681 1 38.681  ? 6  B 1 .
ATOM 1470 C CG   . ASP Bxp B 6  ? 40.453  25.462 136.93  1 38.996  ? 6  B 1 .
ATOM 1471 O OD1  . ASP Bxp B 6  ? 39.35   26     137.166 1 39.883  ? 6  B 1 .
ATOM 1472 O OD2  . ASP Bxp B 6  ? 41.465  25.543 137.661 1 38.384  ? 6  B 1 .
ATOM 1473 H H    . ASP Bxp B 6  ? 38.932  23.075 136.86  1 33.549  ? 6  B 1 c
ATOM 1474 H HA   . ASP Bxp B 6  ? 38.621  24.927 135.051 1 35.743  ? 6  B 1 c
ATOM 1475 H HB3  . ASP Bxp B 6  ? 41.016  25.12  134.991 1 37.962  ? 6  B 1 c
ATOM 1476 H HB2  . ASP Bxp B 6  ? 41.093  23.816 135.891 1 37.964  ? 6  B 1 c
ATOM 1477 N N    . LYS Bxp B 7  ? 39.742  22.237 133.681 1 36.185  ? 7  B 1 .
ATOM 1478 C CA   . LYS Bxp B 7  ? 39.937  21.572 132.402 1 37.806  ? 7  B 1 .
ATOM 1479 C C    . LYS Bxp B 7  ? 38.625  21.499 131.63  1 32.696  ? 7  B 1 .
ATOM 1480 O O    . LYS Bxp B 7  ? 38.587  21.868 130.468 1 31.492  ? 7  B 1 .
ATOM 1481 C CB   . LYS Bxp B 7  ? 40.464  20.148 132.58  1 47.713  ? 7  B 1 .
ATOM 1482 C CG   . LYS Bxp B 7  ? 40.597  19.306 131.311 1 58.31   ? 7  B 1 .
ATOM 1483 C CD   . LYS Bxp B 7  ? 40.736  17.818 131.629 1 72.102  ? 7  B 1 .
ATOM 1484 C CE   . LYS Bxp B 7  ? 40.948  16.943 130.418 1 82.069  ? 7  B 1 .
ATOM 1485 N NZ   . LYS Bxp B 7  ? 40.877  15.509 130.733 1 84.457  ? 7  B 1 .
ATOM 1486 H H    . LYS Bxp B 7  ? 39.877  21.761 134.449 1 36.79   ? 7  B 1 c
ATOM 1487 H HA   . LYS Bxp B 7  ? 40.591  22.096 131.873 1 38.058  ? 7  B 1 c
ATOM 1488 H HB3  . LYS Bxp B 7  ? 39.866  19.675 133.198 1 47.341  ? 7  B 1 c
ATOM 1489 H HB2  . LYS Bxp B 7  ? 41.346  20.197 133.007 1 47.361  ? 7  B 1 c
ATOM 1490 H HG3  . LYS Bxp B 7  ? 41.387  19.607 130.812 1 58.419  ? 7  B 1 c
ATOM 1491 H HG2  . LYS Bxp B 7  ? 39.806  19.443 130.748 1 58.262  ? 7  B 1 c
ATOM 1492 H HD3  . LYS Bxp B 7  ? 39.926  17.52  132.097 1 70.855  ? 7  B 1 c
ATOM 1493 H HD2  . LYS Bxp B 7  ? 41.493  17.698 132.242 1 70.794  ? 7  B 1 c
ATOM 1494 H HE3  . LYS Bxp B 7  ? 41.822  17.136 130.032 1 80.119  ? 7  B 1 c
ATOM 1495 H HE2  . LYS Bxp B 7  ? 40.276  17.149 129.751 1 79.667  ? 7  B 1 c
ATOM 1496 H HZ1  . LYS Bxp B 7  ? 40.097  15.327 131.157 1 83.622  ? 7  B 1 c
ATOM 1497 H HZ2  . LYS Bxp B 7  ? 41.568  15.279 131.272 1 83.693  ? 7  B 1 c
ATOM 1498 H HZ3  . LYS Bxp B 7  ? 40.921  15.025 129.969 1 83.693  ? 7  B 1 c
ATOM 1499 N N    . ALA Bxp B 8  ? 37.566  20.993 132.271 1 30.31   ? 8  B 1 .
ATOM 1500 C CA   . ALA Bxp B 8  ? 36.241  20.973 131.671 1 28.361  ? 8  B 1 .
ATOM 1501 C C    . ALA Bxp B 8  ? 35.948  22.33  131.045 1 27.435  ? 8  B 1 .
ATOM 1502 O O    . ALA Bxp B 8  ? 35.709  22.398 129.853 1 30.601  ? 8  B 1 .
ATOM 1503 C CB   . ALA Bxp B 8  ? 35.175  20.589 132.682 1 28.23   ? 8  B 1 .
ATOM 1504 H H    . ALA Bxp B 8  ? 37.675  20.646 133.109 1 30.639  ? 8  B 1 c
ATOM 1505 H HA   . ALA Bxp B 8  ? 36.247  20.294 130.94  1 28.544  ? 8  B 1 c
ATOM 1506 H HB3  . ALA Bxp B 8  ? 34.294  20.738 132.301 1 28.244  ? 8  B 1 c
ATOM 1507 H HB2  . ALA Bxp B 8  ? 35.273  21.129 133.483 1 28.316  ? 8  B 1 c
ATOM 1508 H HB1  . ALA Bxp B 8  ? 35.269  19.65  132.914 1 28.331  ? 8  B 1 c
ATOM 1509 N N    . ALA Bxp B 9  ? 36.047  23.397 131.837 1 24.98   ? 9  B 1 .
ATOM 1510 C CA   . ALA Bxp B 9  ? 35.87   24.752 131.349 1 25.186  ? 9  B 1 .
ATOM 1511 C C    . ALA Bxp B 9  ? 36.687  25.063 130.093 1 25.731  ? 9  B 1 .
ATOM 1512 O O    . ALA Bxp B 9  ? 36.315  25.967 129.351 1 24.292  ? 9  B 1 .
ATOM 1513 C CB   . ALA Bxp B 9  ? 36.223  25.709 132.454 1 26.135  ? 9  B 1 .
ATOM 1514 H H    . ALA Bxp B 9  ? 36.232  23.272 132.723 1 25.654  ? 9  B 1 c
ATOM 1515 H HA   . ALA Bxp B 9  ? 34.908  24.869 131.12  1 25.415  ? 9  B 1 c
ATOM 1516 H HB3  . ALA Bxp B 9  ? 35.967  26.611 132.198 1 25.866  ? 9  B 1 c
ATOM 1517 H HB2  . ALA Bxp B 9  ? 37.18   25.682 132.617 1 25.926  ? 9  B 1 c
ATOM 1518 H HB1  . ALA Bxp B 9  ? 35.751  25.46  133.266 1 25.865  ? 9  B 1 c
ATOM 1519 N N    . GLU Bxp B 10 ? 37.796  24.345 129.86  1 28.462  ? 10 B 1 .
ATOM 1520 C CA   . GLU Bxp B 10 ? 38.605  24.541 128.663 1 32.48   ? 10 B 1 .
ATOM 1521 C C    . GLU Bxp B 10 ? 38.08   23.705 127.503 1 35.526  ? 10 B 1 .
ATOM 1522 O O    . GLU Bxp B 10 ? 37.691  24.224 126.467 1 37.05   ? 10 B 1 .
ATOM 1523 C CB   . GLU Bxp B 10 ? 40.063  24.118 128.846 1 36.151  ? 10 B 1 .
ATOM 1524 C CG   . GLU Bxp B 10 ? 40.967  25.204 129.428 1 40.512  ? 10 B 1 .
ATOM 1525 C CD   . GLU Bxp B 10 ? 40.865  26.557 128.729 1 44.781  ? 10 B 1 .
ATOM 1526 O OE1  . GLU Bxp B 10 ? 40.709  26.501 127.489 1 45.683  ? 10 B 1 .
ATOM 1527 O OE2  . GLU Bxp B 10 ? 40.936  27.645 129.371 1 44.524  ? 10 B 1 .
ATOM 1528 H H    . GLU Bxp B 10 ? 38.074  23.735 130.48  1 28.645  ? 10 B 1 c
ATOM 1529 H HA   . GLU Bxp B 10 ? 38.564  25.496 128.409 1 32.889  ? 10 B 1 c
ATOM 1530 H HB3  . GLU Bxp B 10 ? 40.426  23.849 127.976 1 36.24   ? 10 B 1 c
ATOM 1531 H HB2  . GLU Bxp B 10 ? 40.097  23.338 129.435 1 36.158  ? 10 B 1 c
ATOM 1532 H HG3  . GLU Bxp B 10 ? 41.899  24.9   129.38  1 40.392  ? 10 B 1 c
ATOM 1533 H HG2  . GLU Bxp B 10 ? 40.747  25.327 130.375 1 40.392  ? 10 B 1 c
ATOM 1534 N N    . GLU Bxp B 11 ? 38.055  22.391 127.704 1 40.847  ? 11 B 1 .
ATOM 1535 C CA   . GLU Bxp B 11 ? 37.616  21.443 126.692 1 47.464  ? 11 B 1 .
ATOM 1536 C C    . GLU Bxp B 11 ? 36.253  21.809 126.108 1 42.346  ? 11 B 1 .
ATOM 1537 O O    . GLU Bxp B 11 ? 35.865  21.295 125.062 1 48.433  ? 11 B 1 .
ATOM 1538 C CB   . GLU Bxp B 11 ? 37.504  20.031 127.279 1 51.835  ? 11 B 1 .
ATOM 1539 C CG   . GLU Bxp B 11 ? 38.84   19.443 127.728 1 53.177  ? 11 B 1 .
ATOM 1540 C CD   . GLU Bxp B 11 ? 38.671  17.996 128.145 1 53.699  ? 11 B 1 .
ATOM 1541 O OE1  . GLU Bxp B 11 ? 37.965  17.773 129.15  1 56.554  ? 11 B 1 .
ATOM 1542 O OE2  . GLU Bxp B 11 ? 39.218  17.095 127.478 1 53.368  ? 11 B 1 .
ATOM 1543 H H    . GLU Bxp B 11 ? 38.314  22.067 128.518 1 40.87   ? 11 B 1 c
ATOM 1544 H HA   . GLU Bxp B 11 ? 38.284  21.436 125.96  1 45.866  ? 11 B 1 c
ATOM 1545 H HB3  . GLU Bxp B 11 ? 37.111  19.439 126.605 1 51.036  ? 11 B 1 c
ATOM 1546 H HB2  . GLU Bxp B 11 ? 36.895  20.056 128.046 1 51.093  ? 11 B 1 c
ATOM 1547 H HG3  . GLU Bxp B 11 ? 39.189  19.957 128.486 1 52.892  ? 11 B 1 c
ATOM 1548 H HG2  . GLU Bxp B 11 ? 39.486  19.492 126.992 1 52.973  ? 11 B 1 c
ATOM 1549 N N    . VAL Bxp B 12 ? 35.506  22.658 126.795 1 35.596  ? 12 B 1 .
ATOM 1550 C CA   . VAL Bxp B 12 ? 34.176  22.966 126.337 1 36.66   ? 12 B 1 .
ATOM 1551 C C    . VAL Bxp B 12 ? 34.186  24.084 125.305 1 38.482  ? 12 B 1 .
ATOM 1552 O O    . VAL Bxp B 12 ? 33.269  24.194 124.509 1 38.186  ? 12 B 1 .
ATOM 1553 C CB   . VAL Bxp B 12 ? 33.332  23.356 127.55  1 39.186  ? 12 B 1 .
ATOM 1554 C CG1  . VAL Bxp B 12 ? 33.756  24.705 128.13  1 38.582  ? 12 B 1 .
ATOM 1555 C CG2  . VAL Bxp B 12 ? 31.858  23.33  127.182 1 41.028  ? 12 B 1 .
ATOM 1556 H H    . VAL Bxp B 12 ? 35.809  23.022 127.576 1 37.448  ? 12 B 1 c
ATOM 1557 H HA   . VAL Bxp B 12 ? 33.789  22.166 125.932 1 37.355  ? 12 B 1 c
ATOM 1558 H HB   . VAL Bxp B 12 ? 33.482  22.67  128.242 1 38.902  ? 12 B 1 c
ATOM 1559 H HG11 . VAL Bxp B 12 ? 33.258  25.418 127.694 1 38.738  ? 12 B 1 c
ATOM 1560 H HG12 . VAL Bxp B 12 ? 34.704  24.841 127.985 1 38.578  ? 12 B 1 c
ATOM 1561 H HG13 . VAL Bxp B 12 ? 33.57   24.72  129.084 1 38.72   ? 12 B 1 c
ATOM 1562 H HG21 . VAL Bxp B 12 ? 31.321  23.35  127.992 1 40.456  ? 12 B 1 c
ATOM 1563 H HG22 . VAL Bxp B 12 ? 31.66   22.518 126.685 1 40.42   ? 12 B 1 c
ATOM 1564 H HG23 . VAL Bxp B 12 ? 31.644  24.103 126.635 1 40.43   ? 12 B 1 c
ATOM 1565 N N    . LYS Bxp B 13 ? 35.189  24.952 125.351 1 43.627  ? 13 B 1 .
ATOM 1566 C CA   . LYS Bxp B 13 ? 35.347  25.971 124.322 1 44.322  ? 13 B 1 .
ATOM 1567 C C    . LYS Bxp B 13 ? 35.461  25.308 122.945 1 45.335  ? 13 B 1 .
ATOM 1568 O O    . LYS Bxp B 13 ? 34.924  25.821 121.967 1 47.876  ? 13 B 1 .
ATOM 1569 C CB   . LYS Bxp B 13 ? 36.584  26.828 124.615 1 41.728  ? 13 B 1 .
ATOM 1570 C CG   . LYS Bxp B 13 ? 36.551  27.512 125.962 1 41.539  ? 13 B 1 .
ATOM 1571 C CD   . LYS Bxp B 13 ? 37.916  27.762 126.58  1 44.502  ? 13 B 1 .
ATOM 1572 C CE   . LYS Bxp B 13 ? 38.71   28.868 125.947 1 49.736  ? 13 B 1 .
ATOM 1573 N NZ   . LYS Bxp B 13 ? 39.925  29.192 126.709 1 50.866  ? 13 B 1 .
ATOM 1574 H H    . LYS Bxp B 13 ? 35.802  24.903 126.026 1 42.347  ? 13 B 1 c
ATOM 1575 H HA   . LYS Bxp B 13 ? 34.543  26.551 124.331 1 43.854  ? 13 B 1 c
ATOM 1576 H HB3  . LYS Bxp B 13 ? 36.668  27.513 123.919 1 42.261  ? 13 B 1 c
ATOM 1577 H HB2  . LYS Bxp B 13 ? 37.382  26.258 124.572 1 42.285  ? 13 B 1 c
ATOM 1578 H HG3  . LYS Bxp B 13 ? 36.02   26.967 126.58  1 42.261  ? 13 B 1 c
ATOM 1579 H HG2  . LYS Bxp B 13 ? 36.092  28.37  125.859 1 42.244  ? 13 B 1 c
ATOM 1580 H HD3  . LYS Bxp B 13 ? 38.436  26.932 126.527 1 44.848  ? 13 B 1 c
ATOM 1581 H HD2  . LYS Bxp B 13 ? 37.792  27.969 127.532 1 44.962  ? 13 B 1 c
ATOM 1582 H HE3  . LYS Bxp B 13 ? 38.156  29.667 125.883 1 48.745  ? 13 B 1 c
ATOM 1583 H HE2  . LYS Bxp B 13 ? 38.965  28.605 125.044 1 48.745  ? 13 B 1 c
ATOM 1584 H HZ1  . LYS Bxp B 13 ? 40.531  28.526 126.614 1 50.47   ? 13 B 1 c
ATOM 1585 H HZ2  . LYS Bxp B 13 ? 39.723  29.29  127.587 1 50.431  ? 13 B 1 c
ATOM 1586 H HZ3  . LYS Bxp B 13 ? 40.282  29.965 126.399 1 50.491  ? 13 B 1 c
ATOM 1587 N N    . ASN Bxp B 14 ? 36.151  24.165 122.865 1 40.089  ? 14 B 1 .
ATOM 1588 C CA   . ASN Bxp B 14 ? 36.518  23.598 121.584 1 41.058  ? 14 B 1 .
ATOM 1589 C C    . ASN Bxp B 14 ? 35.476  22.594 121.112 1 38.774  ? 14 B 1 .
ATOM 1590 O O    . ASN Bxp B 14 ? 35.817  21.598 120.469 1 41.262  ? 14 B 1 .
ATOM 1591 C CB   . ASN Bxp B 14 ? 37.864  22.895 121.66  1 47.78   ? 14 B 1 .
ATOM 1592 C CG   . ASN Bxp B 14 ? 38.97   23.773 122.182 1 52.306  ? 14 B 1 .
ATOM 1593 O OD1  . ASN Bxp B 14 ? 39.113  24.916 121.737 1 58.234  ? 14 B 1 .
ATOM 1594 N ND2  . ASN Bxp B 14 ? 39.778  23.239 123.087 1 54.974  ? 14 B 1 .
ATOM 1595 H H    . ASN Bxp B 14 ? 36.408  23.733 123.629 1 41.605  ? 14 B 1 c
ATOM 1596 H HA   . ASN Bxp B 14 ? 36.593  24.323 120.922 1 41.721  ? 14 B 1 c
ATOM 1597 H HB3  . ASN Bxp B 14 ? 38.109  22.578 120.768 1 47.107  ? 14 B 1 c
ATOM 1598 H HB2  . ASN Bxp B 14 ? 37.781  22.114 122.242 1 47.177  ? 14 B 1 c
ATOM 1599 H HD21 . ASN Bxp B 14 ? 40.057  23.727 123.773 1 54.125  ? 14 B 1 c
ATOM 1600 H HD22 . ASN Bxp B 14 ? 40.039  22.395 123.005 1 54.08   ? 14 B 1 c
ATOM 1601 N N    . LEU Bxp B 15 ? 34.208  22.873 121.423 1 35.868  ? 15 B 1 .
ATOM 1602 C CA   . LEU Bxp B 15 ? 33.109  22.051 120.949 1 36.229  ? 15 B 1 .
ATOM 1603 C C    . LEU Bxp B 15 ? 32.898  22.272 119.464 1 37.122  ? 15 B 1 .
ATOM 1604 O O    . LEU Bxp B 15 ? 32.902  23.393 118.983 1 43.219  ? 15 B 1 .
ATOM 1605 C CB   . LEU Bxp B 15 ? 31.81   22.333 121.688 1 36.088  ? 15 B 1 .
ATOM 1606 C CG   . LEU Bxp B 15 ? 31.531  21.403 122.866 1 38.327  ? 15 B 1 .
ATOM 1607 C CD1  . LEU Bxp B 15 ? 30.255  21.82  123.564 1 38.612  ? 15 B 1 .
ATOM 1608 C CD2  . LEU Bxp B 15 ? 31.457  19.955 122.39  1 39.88   ? 15 B 1 .
ATOM 1609 H H    . LEU Bxp B 15 ? 34.018  23.602 121.939 1 36.727  ? 15 B 1 c
ATOM 1610 H HA   . LEU Bxp B 15 ? 33.359  21.103 121.09  1 36.391  ? 15 B 1 c
ATOM 1611 H HB3  . LEU Bxp B 15 ? 31.065  22.259 121.048 1 36.639  ? 15 B 1 c
ATOM 1612 H HB2  . LEU Bxp B 15 ? 31.835  23.261 122.019 1 36.63   ? 15 B 1 c
ATOM 1613 H HG   . LEU Bxp B 15 ? 32.28   21.482 123.511 1 38.235  ? 15 B 1 c
ATOM 1614 H HD11 . LEU Bxp B 15 ? 30.3    22.766 123.786 1 38.514  ? 15 B 1 c
ATOM 1615 H HD12 . LEU Bxp B 15 ? 30.146  21.302 124.38  1 38.524  ? 15 B 1 c
ATOM 1616 H HD13 . LEU Bxp B 15 ? 29.497  21.662 122.978 1 38.524  ? 15 B 1 c
ATOM 1617 H HD21 . LEU Bxp B 15 ? 32.302  19.51  122.572 1 39.381  ? 15 B 1 c
ATOM 1618 H HD22 . LEU Bxp B 15 ? 31.282  19.934 121.434 1 39.27   ? 15 B 1 c
ATOM 1619 H HD23 . LEU Bxp B 15 ? 30.742  19.494 122.859 1 39.377  ? 15 B 1 c
ATOM 1620 N N    . LYS Bxp B 16 ? 32.633  21.191 118.753 1 38.266  ? 16 B 1 .
ATOM 1621 C CA   . LYS Bxp B 16 ? 32.602  21.26  117.309 1 43.497  ? 16 B 1 .
ATOM 1622 C C    . LYS Bxp B 16 ? 31.381  22.042 116.826 1 42.214  ? 16 B 1 .
ATOM 1623 O O    . LYS Bxp B 16 ? 31.471  22.892 115.944 1 42.437  ? 16 B 1 .
ATOM 1624 C CB   . LYS Bxp B 16 ? 32.664  19.831 116.78  1 49.776  ? 16 B 1 .
ATOM 1625 C CG   . LYS Bxp B 16 ? 34.067  19.235 116.759 1 57.225  ? 16 B 1 .
ATOM 1626 C CD   . LYS Bxp B 16 ? 34.03   17.898 116.033 1 65.581  ? 16 B 1 .
ATOM 1627 C CE   . LYS Bxp B 16 ? 35.352  17.24  115.844 1 72.907  ? 16 B 1 .
ATOM 1628 N NZ   . LYS Bxp B 16 ? 35.178  15.8   115.627 1 78.613  ? 16 B 1 .
ATOM 1629 H H    . LYS Bxp B 16 ? 32.462  20.395 119.17  1 39.21   ? 16 B 1 c
ATOM 1630 H HA   . LYS Bxp B 16 ? 33.416  21.737 117.005 1 43.354  ? 16 B 1 c
ATOM 1631 H HB3  . LYS Bxp B 16 ? 32.307  19.817 115.866 1 49.897  ? 16 B 1 c
ATOM 1632 H HB2  . LYS Bxp B 16 ? 32.09   19.261 117.332 1 49.551  ? 16 B 1 c
ATOM 1633 H HG3  . LYS Bxp B 16 ? 34.384  19.108 117.678 1 56.873  ? 16 B 1 c
ATOM 1634 H HG2  . LYS Bxp B 16 ? 34.675  19.849 116.293 1 57.02   ? 16 B 1 c
ATOM 1635 H HD3  . LYS Bxp B 16 ? 33.62   18.035 115.151 1 65.079  ? 16 B 1 c
ATOM 1636 H HD2  . LYS Bxp B 16 ? 33.444  17.29  116.534 1 65.288  ? 16 B 1 c
ATOM 1637 H HE3  . LYS Bxp B 16 ? 35.906  17.379 116.632 1 71.983  ? 16 B 1 c
ATOM 1638 H HE2  . LYS Bxp B 16 ? 35.807  17.627 115.075 1 72.345  ? 16 B 1 c
ATOM 1639 H HZ1  . LYS Bxp B 16 ? 34.588  15.659 114.954 1 76.719  ? 16 B 1 c
ATOM 1640 H HZ2  . LYS Bxp B 16 ? 34.868  15.41  116.383 1 76.709  ? 16 B 1 c
ATOM 1641 H HZ3  . LYS Bxp B 16 ? 35.974  15.427 115.406 1 76.774  ? 16 B 1 c
ATOM 1642 N N    . THR Bxp B 17 ? 30.219  21.733 117.389 1 41.635  ? 17 B 1 .
ATOM 1643 C CA   . THR Bxp B 17 ? 28.994  22.382 116.965 1 39.024  ? 17 B 1 .
ATOM 1644 C C    . THR Bxp B 17 ? 28.266  22.932 118.182 1 37.618  ? 17 B 1 .
ATOM 1645 O O    . THR Bxp B 17 ? 28.629  22.661 119.324 1 40.393  ? 17 B 1 .
ATOM 1646 C CB   . THR Bxp B 17 ? 28.174  21.358 116.189 1 38.51   ? 17 B 1 .
ATOM 1647 O OG1  . THR Bxp B 17 ? 27.978  20.22  117.021 1 37.638  ? 17 B 1 .
ATOM 1648 C CG2  . THR Bxp B 17 ? 28.918  20.885 114.957 1 38.314  ? 17 B 1 .
ATOM 1649 H H    . THR Bxp B 17 ? 30.183  21.102 118.049 1 41.162  ? 17 B 1 c
ATOM 1650 H HA   . THR Bxp B 17 ? 29.217  23.127 116.366 1 39.192  ? 17 B 1 c
ATOM 1651 H HB   . THR Bxp B 17 ? 27.3    21.739 115.933 1 38.394  ? 17 B 1 c
ATOM 1652 H HG1  . THR Bxp B 17 ? 28.659  19.678 117.133 0 28.89   ? 17 B 1 c
ATOM 1653 H HG21 . THR Bxp B 17 ? 28.306  20.406 114.372 1 38.38   ? 17 B 1 c
ATOM 1654 H HG22 . THR Bxp B 17 ? 29.642  20.293 115.22  1 38.401  ? 17 B 1 c
ATOM 1655 H HG23 . THR Bxp B 17 ? 29.282  21.652 114.485 1 38.383  ? 17 B 1 c
ATOM 1656 N N    . LYS Bxp B 18 ? 27.229  23.715 117.922 1 36.3    ? 18 B 1 .
ATOM 1657 C CA   . LYS Bxp B 18 ? 26.514  24.373 118.999 1 37.673  ? 18 B 1 .
ATOM 1658 C C    . LYS Bxp B 18 ? 25.581  23.392 119.718 1 36.951  ? 18 B 1 .
ATOM 1659 O O    . LYS Bxp B 18 ? 24.782  22.665 119.091 1 41.836  ? 18 B 1 .
ATOM 1660 C CB   . LYS Bxp B 18 ? 25.749  25.57  118.435 1 39.928  ? 18 B 1 .
ATOM 1661 C CG   . LYS Bxp B 18 ? 25.269  26.525 119.483 1 38.653  ? 18 B 1 .
ATOM 1662 C CD   . LYS Bxp B 18 ? 24.429  27.616 118.868 1 41.583  ? 18 B 1 .
ATOM 1663 C CE   . LYS Bxp B 18 ? 23.821  28.392 119.963 1 49.462  ? 18 B 1 .
ATOM 1664 N NZ   . LYS Bxp B 18 ? 24.81   28.925 120.903 1 52.359  ? 18 B 1 .
ATOM 1665 H H    . LYS Bxp B 18 ? 26.956  23.843 117.059 1 36.959  ? 18 B 1 c
ATOM 1666 H HA   . LYS Bxp B 18 ? 27.18   24.718 119.641 1 37.437  ? 18 B 1 c
ATOM 1667 H HB3  . LYS Bxp B 18 ? 24.975  25.244 117.93  1 39.121  ? 18 B 1 c
ATOM 1668 H HB2  . LYS Bxp B 18 ? 26.332  26.055 117.813 1 39.113  ? 18 B 1 c
ATOM 1669 H HG3  . LYS Bxp B 18 ? 26.046  26.921 119.933 1 39.812  ? 18 B 1 c
ATOM 1670 H HG2  . LYS Bxp B 18 ? 24.737  26.035 120.147 1 39.722  ? 18 B 1 c
ATOM 1671 H HD3  . LYS Bxp B 18 ? 23.722  27.223 118.311 1 42.577  ? 18 B 1 c
ATOM 1672 H HD2  . LYS Bxp B 18 ? 24.99   28.204 118.318 1 42.596  ? 18 B 1 c
ATOM 1673 H HE3  . LYS Bxp B 18 ? 23.199  27.824 120.451 1 48.082  ? 18 B 1 c
ATOM 1674 H HE2  . LYS Bxp B 18 ? 23.316  29.134 119.586 1 48.13   ? 18 B 1 c
ATOM 1675 H HZ1  . LYS Bxp B 18 ? 25.572  29.148 120.466 1 51.182  ? 18 B 1 c
ATOM 1676 H HZ2  . LYS Bxp B 18 ? 24.999  28.308 121.54  1 51.231  ? 18 B 1 c
ATOM 1677 H HZ3  . LYS Bxp B 18 ? 24.475  29.665 121.304 1 51.357  ? 18 B 1 c
ATOM 1678 N N    . PRO Bxp B 19 ? 25.691  23.323 121.067 1 30.351  ? 19 B 1 .
ATOM 1679 C CA   . PRO Bxp B 19 ? 24.812  22.486 121.882 1 27.727  ? 19 B 1 .
ATOM 1680 C C    . PRO Bxp B 19 ? 23.471  23.146 122.154 1 24.143  ? 19 B 1 .
ATOM 1681 O O    . PRO Bxp B 19 ? 23.395  24.363 122.248 1 22.336  ? 19 B 1 .
ATOM 1682 C CB   . PRO Bxp B 19 ? 25.616  22.287 123.163 1 27.332  ? 19 B 1 .
ATOM 1683 C CG   . PRO Bxp B 19 ? 26.434  23.559 123.252 1 27.41   ? 19 B 1 .
ATOM 1684 C CD   . PRO Bxp B 19 ? 26.747  23.977 121.854 1 28.723  ? 19 B 1 .
ATOM 1685 H HA   . PRO Bxp B 19 ? 24.674  21.626 121.438 1 27.474  ? 19 B 1 c
ATOM 1686 H HB3  . PRO Bxp B 19 ? 26.194  21.502 123.097 1 27.423  ? 19 B 1 c
ATOM 1687 H HB2  . PRO Bxp B 19 ? 25.029  22.194 123.938 1 27.443  ? 19 B 1 c
ATOM 1688 H HG3  . PRO Bxp B 19 ? 27.258  23.394 123.746 1 27.69   ? 19 B 1 c
ATOM 1689 H HG2  . PRO Bxp B 19 ? 25.93   24.261 123.712 1 27.69   ? 19 B 1 c
ATOM 1690 H HD3  . PRO Bxp B 19 ? 26.702  24.948 121.758 1 28.901  ? 19 B 1 c
ATOM 1691 H HD2  . PRO Bxp B 19 ? 27.63   23.663 121.58  1 28.91   ? 19 B 1 c
ATOM 1692 N N    . ALA Bxp B 20 ? 22.442  22.319 122.295 1 23.833  ? 20 B 1 .
ATOM 1693 C CA   . ALA Bxp B 20 ? 21.099  22.778 122.589 1 25.655  ? 20 B 1 .
ATOM 1694 C C    . ALA Bxp B 20 ? 21.098  23.889 123.633 1 25.868  ? 20 B 1 .
ATOM 1695 O O    . ALA Bxp B 20 ? 22.027  24.034 124.424 1 24.884  ? 20 B 1 .
ATOM 1696 C CB   . ALA Bxp B 20 ? 20.25   21.624 123.082 1 27.899  ? 20 B 1 .
ATOM 1697 H H    . ALA Bxp B 20 ? 22.585  21.421 122.198 1 24.405  ? 20 B 1 c
ATOM 1698 H HA   . ALA Bxp B 20 ? 20.702  23.139 121.748 1 25.715  ? 20 B 1 c
ATOM 1699 H HB3  . ALA Bxp B 20 ? 19.46   21.539 122.524 1 27.223  ? 20 B 1 c
ATOM 1700 H HB2  . ALA Bxp B 20 ? 19.977  21.788 124     1 27.279  ? 20 B 1 c
ATOM 1701 H HB1  . ALA Bxp B 20 ? 20.759  20.798 123.043 1 27.192  ? 20 B 1 c
ATOM 1702 N N    . ASP Bxp B 21 ? 19.985  24.621 123.656 1 25.287  ? 21 B 1 .
ATOM 1703 C CA   . ASP Bxp B 21 ? 19.838  25.769 124.519 1 24.406  ? 21 B 1 .
ATOM 1704 C C    . ASP Bxp B 21 ? 19.929  25.359 125.97  1 22.166  ? 21 B 1 .
ATOM 1705 O O    . ASP Bxp B 21 ? 20.549  26.053 126.752 1 20.535  ? 21 B 1 .
ATOM 1706 C CB   . ASP Bxp B 21 ? 18.496  26.432 124.329 1 27.446  ? 21 B 1 .
ATOM 1707 C CG   . ASP Bxp B 21 ? 18.4    27.771 125.032 1 30.662  ? 21 B 1 .
ATOM 1708 O OD1  . ASP Bxp B 21 ? 19.186  28.669 124.652 1 31.824  ? 21 B 1 .
ATOM 1709 O OD2  . ASP Bxp B 21 ? 17.584  27.875 125.975 1 33.318  ? 21 B 1 .
ATOM 1710 H H    . ASP Bxp B 21 ? 19.288  24.39  123.111 1 25.256  ? 21 B 1 c
ATOM 1711 H HA   . ASP Bxp B 21 ? 20.556  26.411 124.317 1 24.702  ? 21 B 1 c
ATOM 1712 H HB3  . ASP Bxp B 21 ? 17.788  25.846 124.669 1 27.363  ? 21 B 1 c
ATOM 1713 H HB2  . ASP Bxp B 21 ? 18.342  26.574 123.372 1 27.384  ? 21 B 1 c
ATOM 1714 N N    . ASP Bxp B 22 ? 19.261  24.254 126.295 1 23.828  ? 22 B 1 .
ATOM 1715 C CA   . ASP Bxp B 22 ? 19.311  23.645 127.619 1 26.195  ? 22 B 1 .
ATOM 1716 C C    . ASP Bxp B 22 ? 20.759  23.466 128.015 1 26.469  ? 22 B 1 .
ATOM 1717 O O    . ASP Bxp B 22 ? 21.318  24.248 128.771 1 30.493  ? 22 B 1 .
ATOM 1718 C CB   . ASP Bxp B 22 ? 18.629  22.289 127.657 1 27.07   ? 22 B 1 .
ATOM 1719 C CG   . ASP Bxp B 22 ? 18.374  21.703 126.278 1 30.059  ? 22 B 1 .
ATOM 1720 O OD1  . ASP Bxp B 22 ? 17.789  22.423 125.457 1 34.683  ? 22 B 1 .
ATOM 1721 O OD2  . ASP Bxp B 22 ? 18.754  20.551 126.022 1 32.889  ? 22 B 1 .
ATOM 1722 H H    . ASP Bxp B 22 ? 18.725  23.872 125.662 1 24.043  ? 22 B 1 c
ATOM 1723 H HA   . ASP Bxp B 22 ? 18.873  24.248 128.261 1 25.922  ? 22 B 1 c
ATOM 1724 H HB3  . ASP Bxp B 22 ? 17.761  22.397 128.1   1 27.523  ? 22 B 1 c
ATOM 1725 H HB2  . ASP Bxp B 22 ? 19.152  21.65  128.184 1 27.52   ? 22 B 1 c
ATOM 1726 N N    . GLU Bxp B 23 ? 21.376  22.481 127.393 1 25.21   ? 23 B 1 .
ATOM 1727 C CA   . GLU Bxp B 23 ? 22.788  22.222 127.602 1 25.807  ? 23 B 1 .
ATOM 1728 C C    . GLU Bxp B 23 ? 23.54   23.541 127.837 1 21.897  ? 23 B 1 .
ATOM 1729 O O    . GLU Bxp B 23 ? 24.255  23.711 128.825 1 19.799  ? 23 B 1 .
ATOM 1730 C CB   . GLU Bxp B 23 ? 23.316  21.461 126.38  1 27.698  ? 23 B 1 .
ATOM 1731 C CG   . GLU Bxp B 23 ? 22.343  20.442 125.786 1 28.05   ? 23 B 1 .
ATOM 1732 C CD   . GLU Bxp B 23 ? 22.908  19.646 124.634 1 29.287  ? 23 B 1 .
ATOM 1733 O OE1  . GLU Bxp B 23 ? 23.416  20.325 123.709 1 32.803  ? 23 B 1 .
ATOM 1734 O OE2  . GLU Bxp B 23 ? 22.87   18.388 124.68  1 28.726  ? 23 B 1 .
ATOM 1735 H H    . GLU Bxp B 23 ? 20.91   21.954 126.812 1 25.749  ? 23 B 1 c
ATOM 1736 H HA   . GLU Bxp B 23 ? 22.885  21.651 128.407 1 25.254  ? 23 B 1 c
ATOM 1737 H HB3  . GLU Bxp B 23 ? 24.139  20.997 126.635 1 27.407  ? 23 B 1 c
ATOM 1738 H HB2  . GLU Bxp B 23 ? 23.545  22.11  125.683 1 27.3    ? 23 B 1 c
ATOM 1739 H HG3  . GLU Bxp B 23 ? 21.544  20.909 125.468 1 28.202  ? 23 B 1 c
ATOM 1740 H HG2  . GLU Bxp B 23 ? 22.063  19.818 126.49  1 28.244  ? 23 B 1 c
ATOM 1741 N N    . MET Bxp B 24 ? 23.353  24.478 126.909 1 19.859  ? 24 B 1 .
ATOM 1742 C CA   . MET Bxp B 24 ? 24.072  25.731 126.949 1 19.775  ? 24 B 1 .
ATOM 1743 C C    . MET Bxp B 24 ? 23.848  26.348 128.307 1 17.247  ? 24 B 1 .
ATOM 1744 O O    . MET Bxp B 24 ? 24.784  26.737 128.986 1 16.365  ? 24 B 1 .
ATOM 1745 C CB   . MET Bxp B 24 ? 23.578  26.693 125.863 1 22.362  ? 24 B 1 .
ATOM 1746 C CG   . MET Bxp B 24 ? 24.114  28.116 125.992 1 23.851  ? 24 B 1 .
ATOM 1747 S SD   . MET Bxp B 24 ? 23.422  29.124 127.322 1 24.477  ? 24 B 1 .
ATOM 1748 C CE   . MET Bxp B 24 ? 22.162  30.185 126.589 1 22.168  ? 24 B 1 .
ATOM 1749 H H    . MET Bxp B 24 ? 22.767  24.327 126.224 1 20.41   ? 24 B 1 c
ATOM 1750 H HA   . MET Bxp B 24 ? 25.038  25.549 126.827 1 19.729  ? 24 B 1 c
ATOM 1751 H HB3  . MET Bxp B 24 ? 22.6    26.721 125.889 1 22.022  ? 24 B 1 c
ATOM 1752 H HB2  . MET Bxp B 24 ? 23.841  26.335 124.988 1 22.058  ? 24 B 1 c
ATOM 1753 H HG3  . MET Bxp B 24 ? 23.957  28.584 125.148 1 23.602  ? 24 B 1 c
ATOM 1754 H HG2  . MET Bxp B 24 ? 25.081  28.072 126.122 1 23.603  ? 24 B 1 c
ATOM 1755 H HE3  . MET Bxp B 24 ? 21.699  29.699 125.881 1 22.711  ? 24 B 1 c
ATOM 1756 H HE2  . MET Bxp B 24 ? 22.585  30.98  126.215 1 22.711  ? 24 B 1 c
ATOM 1757 H HE1  . MET Bxp B 24 ? 21.521  30.45  127.274 1 22.682  ? 24 B 1 c
ATOM 1758 N N    . LEU Bxp B 25 ? 22.572  26.437 128.644 1 17.141  ? 25 B 1 .
ATOM 1759 C CA   . LEU Bxp B 25 ? 22.15   27.027 129.898 1 17.579  ? 25 B 1 .
ATOM 1760 C C    . LEU Bxp B 25 ? 22.776  26.261 131.048 1 17.292  ? 25 B 1 .
ATOM 1761 O O    . LEU Bxp B 25 ? 23.653  26.778 131.729 1 16.283  ? 25 B 1 .
ATOM 1762 C CB   . LEU Bxp B 25 ? 20.626  27.074 130.008 1 17.446  ? 25 B 1 .
ATOM 1763 C CG   . LEU Bxp B 25 ? 20.003  28.311 129.365 1 17.817  ? 25 B 1 .
ATOM 1764 C CD1  . LEU Bxp B 25 ? 18.517  28.361 129.461 1 18.6    ? 25 B 1 .
ATOM 1765 C CD2  . LEU Bxp B 25 ? 20.617  29.537 130.025 1 18.014  ? 25 B 1 .
ATOM 1766 H H    . LEU Bxp B 25 ? 21.933  26.127 128.069 1 17.395  ? 25 B 1 c
ATOM 1767 H HA   . LEU Bxp B 25 ? 22.502  27.95  129.927 1 17.444  ? 25 B 1 c
ATOM 1768 H HB3  . LEU Bxp B 25 ? 20.38   27.056 130.962 1 17.573  ? 25 B 1 c
ATOM 1769 H HB2  . LEU Bxp B 25 ? 20.253  26.273 129.575 1 17.623  ? 25 B 1 c
ATOM 1770 H HG   . LEU Bxp B 25 ? 20.251  28.32  128.405 1 17.931  ? 25 B 1 c
ATOM 1771 H HD11 . LEU Bxp B 25 ? 18.141  27.528 129.131 1 18.361  ? 25 B 1 c
ATOM 1772 H HD12 . LEU Bxp B 25 ? 18.181  29.101 128.927 1 18.361  ? 25 B 1 c
ATOM 1773 H HD13 . LEU Bxp B 25 ? 18.255  28.488 130.388 1 18.361  ? 25 B 1 c
ATOM 1774 H HD21 . LEU Bxp B 25 ? 21.411  29.808 129.535 1 18.003  ? 25 B 1 c
ATOM 1775 H HD22 . LEU Bxp B 25 ? 20.86   29.33  130.943 1 17.957  ? 25 B 1 c
ATOM 1776 H HD23 . LEU Bxp B 25 ? 19.973  30.266 130.02  1 17.969  ? 25 B 1 c
ATOM 1777 N N    . PHE Bxp B 26 ? 22.307  25.029 131.233 1 17.74   ? 26 B 1 .
ATOM 1778 C CA   . PHE Bxp B 26 ? 22.795  24.177 132.292 1 17.672  ? 26 B 1 .
ATOM 1779 C C    . PHE Bxp B 26 ? 24.262  24.486 132.55  1 17.067  ? 26 B 1 .
ATOM 1780 O O    . PHE Bxp B 26 ? 24.651  24.804 133.659 1 16.456  ? 26 B 1 .
ATOM 1781 C CB   . PHE Bxp B 26 ? 22.554  22.746 131.829 1 17.69   ? 26 B 1 .
ATOM 1782 C CG   . PHE Bxp B 26 ? 23.18   21.743 132.769 1 17.753  ? 26 B 1 .
ATOM 1783 C CD1  . PHE Bxp B 26 ? 24.52   21.455 132.69  1 18.468  ? 26 B 1 .
ATOM 1784 C CD2  . PHE Bxp B 26 ? 22.438  21.139 133.76  1 17.807  ? 26 B 1 .
ATOM 1785 C CE1  . PHE Bxp B 26 ? 25.086  20.555 133.562 1 19.078  ? 26 B 1 .
ATOM 1786 C CE2  . PHE Bxp B 26 ? 23.018  20.239 134.619 1 18.135  ? 26 B 1 .
ATOM 1787 C CZ   . PHE Bxp B 26 ? 24.338  19.951 134.522 1 18.466  ? 26 B 1 .
ATOM 1788 H H    . PHE Bxp B 26 ? 21.661  24.706 130.673 1 17.617  ? 26 B 1 c
ATOM 1789 H HA   . PHE Bxp B 26 ? 22.269  24.349 133.118 1 17.577  ? 26 B 1 c
ATOM 1790 H HB3  . PHE Bxp B 26 ? 22.937  22.633 130.931 1 17.709  ? 26 B 1 c
ATOM 1791 H HB2  . PHE Bxp B 26 ? 21.585  22.586 131.781 1 17.702  ? 26 B 1 c
ATOM 1792 H HD1  . PHE Bxp B 26 ? 25.05   21.866 132.027 1 18.491  ? 26 B 1 c
ATOM 1793 H HD2  . PHE Bxp B 26 ? 21.516  21.329 133.832 1 17.885  ? 26 B 1 c
ATOM 1794 H HE1  . PHE Bxp B 26 ? 26.005  20.361 133.497 1 18.915  ? 26 B 1 c
ATOM 1795 H HE2  . PHE Bxp B 26 ? 22.494  19.822 135.285 1 18.142  ? 26 B 1 c
ATOM 1796 H HZ   . PHE Bxp B 26 ? 24.736  19.336 135.117 1 18.52   ? 26 B 1 c
ATOM 1797 N N    . ILE Bxp B 27 ? 25.061  24.4   131.499 1 17.213  ? 27 B 1 .
ATOM 1798 C CA   . ILE Bxp B 27 ? 26.479  24.7   131.595 1 17.82   ? 27 B 1 .
ATOM 1799 C C    . ILE Bxp B 27 ? 26.735  26.016 132.325 1 17.644  ? 27 B 1 .
ATOM 1800 O O    . ILE Bxp B 27 ? 27.432  26.037 133.318 1 18.637  ? 27 B 1 .
ATOM 1801 C CB   . ILE Bxp B 27 ? 27.078  24.767 130.19  1 18.666  ? 27 B 1 .
ATOM 1802 C CG1  . ILE Bxp B 27 ? 27.198  23.392 129.586 1 19.441  ? 27 B 1 .
ATOM 1803 C CG2  . ILE Bxp B 27 ? 28.418  25.492 130.24  1 18.729  ? 27 B 1 .
ATOM 1804 C CD1  . ILE Bxp B 27 ? 28.234  22.521 130.28  1 20.227  ? 27 B 1 .
ATOM 1805 H H    . ILE Bxp B 27 ? 24.717  24.147 130.691 1 17.367  ? 27 B 1 c
ATOM 1806 H HA   . ILE Bxp B 27 ? 26.914  23.981 132.089 1 17.859  ? 27 B 1 c
ATOM 1807 H HB   . ILE Bxp B 27 ? 26.474  25.287 129.63  1 18.636  ? 27 B 1 c
ATOM 1808 H HG12 . ILE Bxp B 27 ? 27.438  23.48  128.641 1 19.429  ? 27 B 1 c
ATOM 1809 H HG13 . ILE Bxp B 27 ? 26.329  22.945 129.635 1 19.41   ? 27 B 1 c
ATOM 1810 H HG21 . ILE Bxp B 27 ? 28.89   25.359 129.401 1 18.708  ? 27 B 1 c
ATOM 1811 H HG22 . ILE Bxp B 27 ? 28.955  25.14  130.969 1 18.711  ? 27 B 1 c
ATOM 1812 H HG23 . ILE Bxp B 27 ? 28.273  26.441 130.378 1 18.695  ? 27 B 1 c
ATOM 1813 H HD11 . ILE Bxp B 27 ? 29.117  22.929 130.204 1 19.969  ? 27 B 1 c
ATOM 1814 H HD12 . ILE Bxp B 27 ? 28.249  21.645 129.849 1 19.98   ? 27 B 1 c
ATOM 1815 H HD13 . ILE Bxp B 27 ? 28.009  22.41  131.222 1 19.958  ? 27 B 1 c
ATOM 1816 N N    . TYR Bxp B 28 ? 26.189  27.121 131.824 1 17.076  ? 28 B 1 .
ATOM 1817 C CA   . TYR Bxp B 28 ? 26.394  28.432 132.411 1 16.779  ? 28 B 1 .
ATOM 1818 C C    . TYR Bxp B 28 ? 25.961  28.488 133.874 1 17.005  ? 28 B 1 .
ATOM 1819 O O    . TYR Bxp B 28 ? 26.759  28.888 134.709 1 16.93   ? 28 B 1 .
ATOM 1820 C CB   . TYR Bxp B 28 ? 25.557  29.456 131.65  1 16.804  ? 28 B 1 .
ATOM 1821 C CG   . TYR Bxp B 28 ? 25.466  30.792 132.36  1 16.53   ? 28 B 1 .
ATOM 1822 C CD1  . TYR Bxp B 28 ? 26.501  31.7   132.289 1 16.901  ? 28 B 1 .
ATOM 1823 C CD2  . TYR Bxp B 28 ? 24.358  31.145 133.098 1 16.871  ? 28 B 1 .
ATOM 1824 C CE1  . TYR Bxp B 28 ? 26.439  32.932 132.918 1 17.008  ? 28 B 1 .
ATOM 1825 C CE2  . TYR Bxp B 28 ? 24.283  32.371 133.735 1 17.282  ? 28 B 1 .
ATOM 1826 C CZ   . TYR Bxp B 28 ? 25.318  33.278 133.641 1 16.803  ? 28 B 1 .
ATOM 1827 O OH   . TYR Bxp B 28 ? 25.228  34.471 134.305 1 16.496  ? 28 B 1 .
ATOM 1828 H H    . TYR Bxp B 28 ? 25.663  27.053 131.079 1 17.148  ? 28 B 1 c
ATOM 1829 H HA   . TYR Bxp B 28 ? 27.355  28.675 132.341 1 16.882  ? 28 B 1 c
ATOM 1830 H HB3  . TYR Bxp B 28 ? 24.651  29.097 131.528 1 16.738  ? 28 B 1 c
ATOM 1831 H HB2  . TYR Bxp B 28 ? 25.954  29.591 130.763 1 16.736  ? 28 B 1 c
ATOM 1832 H HD1  . TYR Bxp B 28 ? 27.268  31.482 131.786 1 16.84   ? 28 B 1 c
ATOM 1833 H HD2  . TYR Bxp B 28 ? 23.633  30.544 133.165 1 16.886  ? 28 B 1 c
ATOM 1834 H HE1  . TYR Bxp B 28 ? 27.161  33.534 132.852 1 16.932  ? 28 B 1 c
ATOM 1835 H HE2  . TYR Bxp B 28 ? 23.517  32.591 134.237 1 17.154  ? 28 B 1 c
ATOM 1836 H HH   . TYR Bxp B 28 ? 25.963  34.856 134.048 0 21.85   ? 28 B 1 c
ATOM 1837 N N    . SER Bxp B 29 ? 24.699  28.121 134.167 1 17.048  ? 29 B 1 .
ATOM 1838 C CA   . SER Bxp B 29 ? 24.169  28.087 135.529 1 16.548  ? 29 B 1 .
ATOM 1839 C C    . SER Bxp B 29 ? 25.187  27.468 136.487 1 16.951  ? 29 B 1 .
ATOM 1840 O O    . SER Bxp B 29 ? 25.596  28.109 137.455 1 15.95   ? 29 B 1 .
ATOM 1841 C CB   . SER Bxp B 29 ? 22.856  27.334 135.597 1 15.723  ? 29 B 1 .
ATOM 1842 O OG   . SER Bxp B 29 ? 23.054  25.947 135.395 1 14.614  ? 29 B 1 .
ATOM 1843 H H    . SER Bxp B 29 ? 24.145  27.878 133.482 1 16.904  ? 29 B 1 c
ATOM 1844 H HA   . SER Bxp B 29 ? 24.007  29.02  135.815 1 16.612  ? 29 B 1 c
ATOM 1845 H HB3  . SER Bxp B 29 ? 22.25   27.679 134.915 1 15.659  ? 29 B 1 c
ATOM 1846 H HB2  . SER Bxp B 29 ? 22.447  27.477 136.469 1 15.74   ? 29 B 1 c
ATOM 1847 H HG   . SER Bxp B 29 ? 22.304  25.653 135.462 0 21.75   ? 29 B 1 c
ATOM 1848 N N    . HIS Bxp B 30 ? 25.612  26.238 136.157 1 17.969  ? 30 B 1 .
ATOM 1849 C CA   . HIS Bxp B 30 ? 26.553  25.467 136.954 1 18.988  ? 30 B 1 .
ATOM 1850 C C    . HIS Bxp B 30 ? 27.897  26.174 137.022 1 19.273  ? 30 B 1 .
ATOM 1851 O O    . HIS Bxp B 30 ? 28.509  26.186 138.084 1 21.14   ? 30 B 1 .
ATOM 1852 C CB   . HIS Bxp B 30 ? 26.689  24.025 136.442 1 20.061  ? 30 B 1 .
ATOM 1853 C CG   . HIS Bxp B 30 ? 25.44   23.256 136.692 1 22.537  ? 30 B 1 .
ATOM 1854 N ND1  . HIS Bxp B 30 ? 24.245  23.69  136.169 1 25.116  ? 30 B 1 .
ATOM 1855 C CD2  . HIS Bxp B 30 ? 25.126  22.192 137.443 1 23.55   ? 30 B 1 .
ATOM 1856 C CE1  . HIS Bxp B 30 ? 23.265  22.878 136.56  1 24.84   ? 30 B 1 .
ATOM 1857 N NE2  . HIS Bxp B 30 ? 23.778  21.96  137.341 1 23.278  ? 30 B 1 .
ATOM 1858 H H    . HIS Bxp B 30 ? 25.303  25.869 135.38  1 17.99   ? 30 B 1 c
ATOM 1859 H HA   . HIS Bxp B 30 ? 26.186  25.427 137.871 1 19.056  ? 30 B 1 c
ATOM 1860 H HB3  . HIS Bxp B 30 ? 27.438  23.589 136.904 1 20.354  ? 30 B 1 c
ATOM 1861 H HB2  . HIS Bxp B 30 ? 26.873  24.043 135.477 1 20.359  ? 30 B 1 c
ATOM 1862 H HD1  . HIS Bxp B 30 ? 24.013  24.529 135.685 0 24.27   ? 30 B 1 c
ATOM 1863 H HD2  . HIS Bxp B 30 ? 25.725  21.683 137.948 1 23.717  ? 30 B 1 c
ATOM 1864 H HE1  . HIS Bxp B 30 ? 22.359  22.951 136.314 1 24.5    ? 30 B 1 c
ATOM 1865 H HE2  . HIS Bxp B 30 ? 23.237  21.385 137.68  0 25.33   ? 30 B 1 c
ATOM 1866 N N    . TYR Bxp B 31 ? 28.342  26.778 135.916 1 19.662  ? 31 B 1 .
ATOM 1867 C CA   . TYR Bxp B 31 ? 29.617  27.476 135.919 1 21.54   ? 31 B 1 .
ATOM 1868 C C    . TYR Bxp B 31 ? 29.564  28.575 136.98  1 23.349  ? 31 B 1 .
ATOM 1869 O O    . TYR Bxp B 31 ? 30.353  28.607 137.925 1 23.681  ? 31 B 1 .
ATOM 1870 C CB   . TYR Bxp B 31 ? 30.006  28.071 134.561 1 22.045  ? 31 B 1 .
ATOM 1871 C CG   . TYR Bxp B 31 ? 31.368  28.751 134.642 1 23.727  ? 31 B 1 .
ATOM 1872 C CD1  . TYR Bxp B 31 ? 32.565  28.021 134.588 1 24.229  ? 31 B 1 .
ATOM 1873 C CD2  . TYR Bxp B 31 ? 31.451  30.124 134.88  1 24.181  ? 31 B 1 .
ATOM 1874 C CE1  . TYR Bxp B 31 ? 33.797  28.661 134.71  1 24.666  ? 31 B 1 .
ATOM 1875 C CE2  . TYR Bxp B 31 ? 32.672  30.769 135.001 1 24.519  ? 31 B 1 .
ATOM 1876 C CZ   . TYR Bxp B 31 ? 33.847  30.041 134.916 1 24.823  ? 31 B 1 .
ATOM 1877 O OH   . TYR Bxp B 31 ? 34.994  30.772 135.07  1 22.954  ? 31 B 1 .
ATOM 1878 H H    . TYR Bxp B 31 ? 27.851  26.748 135.146 1 19.949  ? 31 B 1 c
ATOM 1879 H HA   . TYR Bxp B 31 ? 30.32   26.826 136.183 1 21.551  ? 31 B 1 c
ATOM 1880 H HB3  . TYR Bxp B 31 ? 29.329  28.729 134.292 1 22.303  ? 31 B 1 c
ATOM 1881 H HB2  . TYR Bxp B 31 ? 30.037  27.355 133.892 1 22.35   ? 31 B 1 c
ATOM 1882 H HD1  . TYR Bxp B 31 ? 32.538  27.089 134.446 1 24.203  ? 31 B 1 c
ATOM 1883 H HD2  . TYR Bxp B 31 ? 30.656  30.63  134.938 1 24.146  ? 31 B 1 c
ATOM 1884 H HE1  . TYR Bxp B 31 ? 34.595  28.164 134.654 1 24.575  ? 31 B 1 c
ATOM 1885 H HE2  . TYR Bxp B 31 ? 32.703  31.7   135.145 1 24.487  ? 31 B 1 c
ATOM 1886 H HH   . TYR Bxp B 31 ? 35.645  30.085 135.016 0 21.27   ? 31 B 1 c
ATOM 1887 N N    . LYS Bxp B 32 ? 28.575  29.452 136.833 1 25.165  ? 32 B 1 .
ATOM 1888 C CA   . LYS Bxp B 32 ? 28.384  30.569 137.736 1 24.948  ? 32 B 1 .
ATOM 1889 C C    . LYS Bxp B 32 ? 28.293  30.102 139.182 1 24.339  ? 32 B 1 .
ATOM 1890 O O    . LYS Bxp B 32 ? 28.939  30.688 140.036 1 27.728  ? 32 B 1 .
ATOM 1891 C CB   . LYS Bxp B 32 ? 27.12   31.326 137.332 1 25.777  ? 32 B 1 .
ATOM 1892 C CG   . LYS Bxp B 32 ? 27.242  32.067 135.999 1 27.172  ? 32 B 1 .
ATOM 1893 C CD   . LYS Bxp B 32 ? 28.405  33.045 135.87  1 27.977  ? 32 B 1 .
ATOM 1894 C CE   . LYS Bxp B 32 ? 28.265  34.165 136.843 1 30.031  ? 32 B 1 .
ATOM 1895 N NZ   . LYS Bxp B 32 ? 29.402  35.09  136.805 1 30.849  ? 32 B 1 .
ATOM 1896 H H    . LYS Bxp B 32 ? 27.99   29.347 136.138 1 24.627  ? 32 B 1 c
ATOM 1897 H HA   . LYS Bxp B 32 ? 29.165  31.171 137.653 1 25.076  ? 32 B 1 c
ATOM 1898 H HB3  . LYS Bxp B 32 ? 26.897  31.974 138.033 1 25.889  ? 32 B 1 c
ATOM 1899 H HB2  . LYS Bxp B 32 ? 26.377  30.689 137.267 1 25.823  ? 32 B 1 c
ATOM 1900 H HG3  . LYS Bxp B 32 ? 26.407  32.56  135.854 1 26.935  ? 32 B 1 c
ATOM 1901 H HG2  . LYS Bxp B 32 ? 27.314  31.401 135.283 1 26.927  ? 32 B 1 c
ATOM 1902 H HD3  . LYS Bxp B 32 ? 28.422  33.41  134.959 1 28.181  ? 32 B 1 c
ATOM 1903 H HD2  . LYS Bxp B 32 ? 29.253  32.578 136.031 1 28.2    ? 32 B 1 c
ATOM 1904 H HE3  . LYS Bxp B 32 ? 28.189  33.807 137.746 1 29.686  ? 32 B 1 c
ATOM 1905 H HE2  . LYS Bxp B 32 ? 27.45   34.66  136.648 1 29.724  ? 32 B 1 c
ATOM 1906 H HZ1  . LYS Bxp B 32 ? 29.507  35.411 135.965 1 30.595  ? 32 B 1 c
ATOM 1907 H HZ2  . LYS Bxp B 32 ? 30.157  34.657 137.055 1 30.595  ? 32 B 1 c
ATOM 1908 H HZ3  . LYS Bxp B 32 ? 29.253  35.781 137.372 1 30.595  ? 32 B 1 c
ATOM 1909 N N    . GLN Bxp B 33 ? 27.528  29.042 139.451 1 23.561  ? 33 B 1 .
ATOM 1910 C CA   . GLN Bxp B 33 ? 27.352  28.561 140.815 1 24.203  ? 33 B 1 .
ATOM 1911 C C    . GLN Bxp B 33 ? 28.665  28.054 141.4   1 21.646  ? 33 B 1 .
ATOM 1912 O O    . GLN Bxp B 33 ? 29.153  28.598 142.39  1 21.939  ? 33 B 1 .
ATOM 1913 C CB   . GLN Bxp B 33 ? 26.325  27.435 140.913 1 27.558  ? 33 B 1 .
ATOM 1914 C CG   . GLN Bxp B 33 ? 25.902  27.136 142.349 1 30.715  ? 33 B 1 .
ATOM 1915 C CD   . GLN Bxp B 33 ? 24.648  27.861 142.817 1 36.152  ? 33 B 1 .
ATOM 1916 O OE1  . GLN Bxp B 33 ? 24.325  29.02  142.502 1 36.433  ? 33 B 1 .
ATOM 1917 N NE2  . GLN Bxp B 33 ? 23.897  27.143 143.624 1 43.368  ? 33 B 1 .
ATOM 1918 H H    . GLN Bxp B 33 ? 27.1    28.607 138.77  1 23.926  ? 33 B 1 c
ATOM 1919 H HA   . GLN Bxp B 33 ? 27.042  29.317 141.368 1 24.169  ? 33 B 1 c
ATOM 1920 H HB3  . GLN Bxp B 33 ? 26.697  26.622 140.513 1 27.293  ? 33 B 1 c
ATOM 1921 H HB2  . GLN Bxp B 33 ? 25.532  27.686 140.393 1 27.439  ? 33 B 1 c
ATOM 1922 H HG3  . GLN Bxp B 33 ? 26.635  27.373 142.955 1 31.024  ? 33 B 1 c
ATOM 1923 H HG2  . GLN Bxp B 33 ? 25.75   26.17  142.439 1 31.158  ? 33 B 1 c
ATOM 1924 H HE21 . GLN Bxp B 33 ? 23.801  27.393 144.468 1 40.793  ? 33 B 1 c
ATOM 1925 H HE22 . GLN Bxp B 33 ? 23.49   26.422 143.32  1 40.631  ? 33 B 1 c
ATOM 1926 N N    . ALA Bxp B 34 ? 29.244  27.037 140.755 1 20.221  ? 34 B 1 .
ATOM 1927 C CA   . ALA Bxp B 34 ? 30.498  26.443 141.193 1 19.728  ? 34 B 1 .
ATOM 1928 C C    . ALA Bxp B 34 ? 31.624  27.471 141.332 1 20.385  ? 34 B 1 .
ATOM 1929 O O    . ALA Bxp B 34 ? 32.654  27.126 141.876 1 21.107  ? 34 B 1 .
ATOM 1930 C CB   . ALA Bxp B 34 ? 30.919  25.338 140.247 1 19.069  ? 34 B 1 .
ATOM 1931 H H    . ALA Bxp B 34 ? 28.845  26.707 140.002 1 20.544  ? 34 B 1 c
ATOM 1932 H HA   . ALA Bxp B 34 ? 30.342  26.044 142.09  1 19.981  ? 34 B 1 c
ATOM 1933 H HB3  . ALA Bxp B 34 ? 31.872  25.177 140.335 1 19.463  ? 34 B 1 c
ATOM 1934 H HB2  . ALA Bxp B 34 ? 30.723  25.598 139.331 1 19.358  ? 34 B 1 c
ATOM 1935 H HB1  . ALA Bxp B 34 ? 30.436  24.523 140.459 1 19.477  ? 34 B 1 c
ATOM 1936 N N    . THR Bxp B 35 ? 31.459  28.723 140.891 1 21.303  ? 35 B 1 .
ATOM 1937 C CA   . THR Bxp B 35 ? 32.537  29.705 140.949 1 21.834  ? 35 B 1 .
ATOM 1938 C C    . THR Bxp B 35 ? 32.173  30.847 141.888 1 23.73   ? 35 B 1 .
ATOM 1939 O O    . THR Bxp B 35 ? 32.906  31.12  142.837 1 26.902  ? 35 B 1 .
ATOM 1940 C CB   . THR Bxp B 35 ? 32.832  30.261 139.559 1 22.43   ? 35 B 1 .
ATOM 1941 O OG1  . THR Bxp B 35 ? 31.715  31.064 139.159 1 21.607  ? 35 B 1 .
ATOM 1942 C CG2  . THR Bxp B 35 ? 33.182  29.145 138.586 1 22.847  ? 35 B 1 .
ATOM 1943 H H    . THR Bxp B 35 ? 30.663  28.972 140.521 1 21.224  ? 35 B 1 c
ATOM 1944 H HA   . THR Bxp B 35 ? 33.347  29.266 141.287 1 22.182  ? 35 B 1 c
ATOM 1945 H HB   . THR Bxp B 35 ? 33.624  30.845 139.627 1 22.235  ? 35 B 1 c
ATOM 1946 H HG1  . THR Bxp B 35 ? 30.972  30.565 139.058 0 24.46   ? 35 B 1 c
ATOM 1947 H HG21 . THR Bxp B 35 ? 32.871  29.382 137.696 1 22.723  ? 35 B 1 c
ATOM 1948 H HG22 . THR Bxp B 35 ? 32.758  28.318 138.865 1 22.703  ? 35 B 1 c
ATOM 1949 H HG23 . THR Bxp B 35 ? 34.146  29.023 138.568 1 22.719  ? 35 B 1 c
ATOM 1950 N N    . VAL Bxp B 36 ? 31.065  31.532 141.571 1 23.66   ? 36 B 1 .
ATOM 1951 C CA   . VAL Bxp B 36 ? 30.496  32.572 142.416 1 22.242  ? 36 B 1 .
ATOM 1952 C C    . VAL Bxp B 36 ? 30.009  31.939 143.706 1 22.82   ? 36 B 1 .
ATOM 1953 O O    . VAL Bxp B 36 ? 30.54   32.211 144.782 1 24.527  ? 36 B 1 .
ATOM 1954 C CB   . VAL Bxp B 36 ? 29.307  33.285 141.764 1 21.745  ? 36 B 1 .
ATOM 1955 C CG1  . VAL Bxp B 36 ? 28.741  34.365 142.678 1 20.86   ? 36 B 1 .
ATOM 1956 C CG2  . VAL Bxp B 36 ? 29.689  33.816 140.389 1 23.709  ? 36 B 1 .
ATOM 1957 H H    . VAL Bxp B 36 ? 30.636  31.326 140.791 1 23.293  ? 36 B 1 c
ATOM 1958 H HA   . VAL Bxp B 36 ? 31.189  33.228 142.623 1 22.517  ? 36 B 1 c
ATOM 1959 H HB   . VAL Bxp B 36 ? 28.6    32.614 141.632 1 22.076  ? 36 B 1 c
ATOM 1960 H HG11 . VAL Bxp B 36 ? 29.46   34.762 143.198 1 21.149  ? 36 B 1 c
ATOM 1961 H HG12 . VAL Bxp B 36 ? 28.086  33.972 143.279 1 21.137  ? 36 B 1 c
ATOM 1962 H HG13 . VAL Bxp B 36 ? 28.313  35.054 142.143 1 21.153  ? 36 B 1 c
ATOM 1963 H HG21 . VAL Bxp B 36 ? 29.034  34.473 140.099 1 23.089  ? 36 B 1 c
ATOM 1964 H HG22 . VAL Bxp B 36 ? 29.713  33.084 139.751 1 23.134  ? 36 B 1 c
ATOM 1965 H HG23 . VAL Bxp B 36 ? 30.566  34.233 140.434 1 23.107  ? 36 B 1 c
ATOM 1966 N N    . GLY Bxp B 37 ? 29.046  31.034 143.547 1 22.593  ? 37 B 1 .
ATOM 1967 C CA   . GLY Bxp B 37 ? 28.263  30.532 144.654 1 23.622  ? 37 B 1 .
ATOM 1968 C C    . GLY Bxp B 37 ? 26.813  30.805 144.313 1 24.85   ? 37 B 1 .
ATOM 1969 O O    . GLY Bxp B 37 ? 26.505  30.879 143.124 1 24.638  ? 37 B 1 .
ATOM 1970 H H    . GLY Bxp B 37 ? 28.88   30.703 142.711 1 22.876  ? 37 B 1 c
ATOM 1971 H HA3  . GLY Bxp B 37 ? 28.514  30.991 145.489 1 23.678  ? 37 B 1 c
ATOM 1972 H HA2  . GLY Bxp B 37 ? 28.41   29.565 144.763 1 23.775  ? 37 B 1 c
ATOM 1973 N N    . ASP Bxp B 38 ? 25.97   31.022 145.332 1 25.88   ? 38 B 1 .
ATOM 1974 C CA   . ASP Bxp B 38 ? 24.563  31.299 145.089 1 25.925  ? 38 B 1 .
ATOM 1975 C C    . ASP Bxp B 38 ? 24.466  32.591 144.29  1 23.807  ? 38 B 1 .
ATOM 1976 O O    . ASP Bxp B 38 ? 25.373  33.415 144.351 1 21.038  ? 38 B 1 .
ATOM 1977 C CB   . ASP Bxp B 38 ? 23.755  31.364 146.376 1 26.63   ? 38 B 1 .
ATOM 1978 C CG   . ASP Bxp B 38 ? 23.516  30.044 147.097 1 26.278  ? 38 B 1 .
ATOM 1979 O OD1  . ASP Bxp B 38 ? 24.263  29.051 146.841 1 26.308  ? 38 B 1 .
ATOM 1980 O OD2  . ASP Bxp B 38 ? 22.544  30.018 147.876 1 24.685  ? 38 B 1 .
ATOM 1981 H H    . ASP Bxp B 38 ? 26.278  31.002 146.192 1 25.617  ? 38 B 1 c
ATOM 1982 H HA   . ASP Bxp B 38 ? 24.196  30.567 144.545 1 25.682  ? 38 B 1 c
ATOM 1983 H HB3  . ASP Bxp B 38 ? 22.879  31.752 146.169 1 26.361  ? 38 B 1 c
ATOM 1984 H HB2  . ASP Bxp B 38 ? 24.208  31.971 146.996 1 26.382  ? 38 B 1 c
ATOM 1985 N N    . ILE Bxp B 39 ? 23.36   32.749 143.56  1 24.833  ? 39 B 1 .
ATOM 1986 C CA   . ILE Bxp B 39 ? 23.202  33.903 142.69  1 26.383  ? 39 B 1 .
ATOM 1987 C C    . ILE Bxp B 39 ? 23.241  35.161 143.538 1 26.884  ? 39 B 1 .
ATOM 1988 O O    . ILE Bxp B 39 ? 22.781  35.139 144.673 1 28.584  ? 39 B 1 .
ATOM 1989 C CB   . ILE Bxp B 39 ? 21.9    33.841 141.879 1 26.809  ? 39 B 1 .
ATOM 1990 C CG1  . ILE Bxp B 39 ? 21.846  34.983 140.867 1 27.681  ? 39 B 1 .
ATOM 1991 C CG2  . ILE Bxp B 39 ? 20.686  33.846 142.796 1 26.048  ? 39 B 1 .
ATOM 1992 C CD1  . ILE Bxp B 39 ? 20.877  34.73  139.734 1 27.485  ? 39 B 1 .
ATOM 1993 H H    . ILE Bxp B 39 ? 22.697  32.122 143.596 1 24.962  ? 39 B 1 c
ATOM 1994 H HA   . ILE Bxp B 39 ? 23.946  33.926 142.074 1 26.206  ? 39 B 1 c
ATOM 1995 H HB   . ILE Bxp B 39 ? 21.898  33     141.381 1 26.754  ? 39 B 1 c
ATOM 1996 H HG12 . ILE Bxp B 39 ? 22.739  35.122 140.495 1 27.347  ? 39 B 1 c
ATOM 1997 H HG13 . ILE Bxp B 39 ? 21.582  35.804 141.329 1 27.415  ? 39 B 1 c
ATOM 1998 H HG21 . ILE Bxp B 39 ? 19.993  33.28  142.419 1 26.295  ? 39 B 1 c
ATOM 1999 H HG22 . ILE Bxp B 39 ? 20.347  34.752 142.886 1 26.301  ? 39 B 1 c
ATOM 2000 H HG23 . ILE Bxp B 39 ? 20.933  33.509 143.672 1 26.326  ? 39 B 1 c
ATOM 2001 H HD11 . ILE Bxp B 39 ? 21.078  33.871 139.317 1 27.528  ? 39 B 1 c
ATOM 2002 H HD12 . ILE Bxp B 39 ? 20.96   35.439 139.069 1 27.513  ? 39 B 1 c
ATOM 2003 H HD13 . ILE Bxp B 39 ? 19.965  34.716 140.081 1 27.52   ? 39 B 1 c
ATOM 2004 N N    . ASN Bxp B 40 ? 23.729  36.264 142.97  1 27.183  ? 40 B 1 .
ATOM 2005 C CA   . ASN Bxp B 40 ? 23.874  37.459 143.782 1 28.565  ? 40 B 1 .
ATOM 2006 C C    . ASN Bxp B 40 ? 23.625  38.726 142.99  1 27.145  ? 40 B 1 .
ATOM 2007 O O    . ASN Bxp B 40 ? 24.188  39.766 143.331 1 25.067  ? 40 B 1 .
ATOM 2008 C CB   . ASN Bxp B 40 ? 25.259  37.565 144.407 1 30.466  ? 40 B 1 .
ATOM 2009 C CG   . ASN Bxp B 40 ? 26.348  37.463 143.375 1 31.937  ? 40 B 1 .
ATOM 2010 O OD1  . ASN Bxp B 40 ? 26.146  36.93  142.279 1 34.956  ? 40 B 1 .
ATOM 2011 N ND2  . ASN Bxp B 40 ? 27.519  37.949 143.728 1 32.959  ? 40 B 1 .
ATOM 2012 H H    . ASN Bxp B 40 ? 23.986  36.273 142.093 1 27.432  ? 40 B 1 c
ATOM 2013 H HA   . ASN Bxp B 40 ? 23.22   37.422 144.516 1 28.355  ? 40 B 1 c
ATOM 2014 H HB3  . ASN Bxp B 40 ? 25.37   36.845 145.059 1 30.341  ? 40 B 1 c
ATOM 2015 H HB2  . ASN Bxp B 40 ? 25.34   38.416 144.881 1 30.296  ? 40 B 1 c
ATOM 2016 H HD21 . ASN Bxp B 40 ? 27.955  38.495 143.181 1 32.641  ? 40 B 1 c
ATOM 2017 H HD22 . ASN Bxp B 40 ? 27.871  37.73  144.512 1 32.641  ? 40 B 1 c
ATOM 2018 N N    . THR Bxp B 41 ? 22.757  38.635 141.98  1 28.397  ? 41 B 1 .
ATOM 2019 C CA   . THR Bxp B 41 ? 22.53   39.78  141.112 1 30.775  ? 41 B 1 .
ATOM 2020 C C    . THR Bxp B 41 ? 21.055  39.969 140.781 1 32.704  ? 41 B 1 .
ATOM 2021 O O    . THR Bxp B 41 ? 20.212  39.12  141.054 1 35.627  ? 41 B 1 .
ATOM 2022 C CB   . THR Bxp B 41 ? 23.371  39.655 139.845 1 28.99   ? 41 B 1 .
ATOM 2023 O OG1  . THR Bxp B 41 ? 22.881  38.536 139.127 1 26.49   ? 41 B 1 .
ATOM 2024 C CG2  . THR Bxp B 41 ? 24.834  39.419 140.165 1 29.053  ? 41 B 1 .
ATOM 2025 H H    . THR Bxp B 41 ? 22.291  37.863 141.835 1 28.575  ? 41 B 1 c
ATOM 2026 H HA   . THR Bxp B 41 ? 22.832  40.582 141.591 1 30.28   ? 41 B 1 c
ATOM 2027 H HB   . THR Bxp B 41 ? 23.28   40.467 139.292 1 28.867  ? 41 B 1 c
ATOM 2028 H HG1  . THR Bxp B 41 ? 23.244  37.77  139.521 0 27.19   ? 41 B 1 c
ATOM 2029 H HG21 . THR Bxp B 41 ? 25.371  39.588 139.373 1 29.027  ? 41 B 1 c
ATOM 2030 H HG22 . THR Bxp B 41 ? 24.961  38.498 140.45  1 29.027  ? 41 B 1 c
ATOM 2031 H HG23 . THR Bxp B 41 ? 25.112  40.02  140.877 1 29.002  ? 41 B 1 c
ATOM 2032 N N    . GLU Bxp B 42 ? 20.784  41.132 140.196 1 34.618  ? 42 B 1 .
ATOM 2033 C CA   . GLU Bxp B 42 ? 19.463  41.533 139.764 1 39.504  ? 42 B 1 .
ATOM 2034 C C    . GLU Bxp B 42 ? 19.14   40.827 138.459 1 36.984  ? 42 B 1 .
ATOM 2035 O O    . GLU Bxp B 42 ? 19.987  40.757 137.575 1 39.476  ? 42 B 1 .
ATOM 2036 C CB   . GLU Bxp B 42 ? 19.427  43.018 139.386 1 49.3    ? 42 B 1 .
ATOM 2037 C CG   . GLU Bxp B 42 ? 20.105  43.97  140.368 1 56.56   ? 42 B 1 .
ATOM 2038 C CD   . GLU Bxp B 42 ? 19.274  44.244 141.6   1 60.806  ? 42 B 1 .
ATOM 2039 O OE1  . GLU Bxp B 42 ? 18.776  43.255 142.191 1 66.32   ? 42 B 1 .
ATOM 2040 O OE2  . GLU Bxp B 42 ? 19.143  45.439 141.951 1 59.544  ? 42 B 1 .
ATOM 2041 H H    . GLU Bxp B 42 ? 21.479  41.704 140.039 1 35.376  ? 42 B 1 c
ATOM 2042 H HA   . GLU Bxp B 42 ? 18.797  41.305 140.46  1 39.576  ? 42 B 1 c
ATOM 2043 H HB3  . GLU Bxp B 42 ? 18.491  43.291 139.289 1 48.408  ? 42 B 1 c
ATOM 2044 H HB2  . GLU Bxp B 42 ? 19.86   43.133 138.515 1 48.263  ? 42 B 1 c
ATOM 2045 H HG3  . GLU Bxp B 42 ? 20.284  44.822 139.916 1 55.7    ? 42 B 1 c
ATOM 2046 H HG2  . GLU Bxp B 42 ? 20.966  43.596 140.648 1 55.377  ? 42 B 1 c
ATOM 2047 N N    . ARG Bxp B 43 ? 17.89   40.391 138.311 1 33.967  ? 43 B 1 .
ATOM 2048 C CA   . ARG Bxp B 43 ? 17.479  39.74  137.086 1 31.375  ? 43 B 1 .
ATOM 2049 C C    . ARG Bxp B 43 ? 17.5    40.777 135.973 1 30.636  ? 43 B 1 .
ATOM 2050 O O    . ARG Bxp B 43 ? 17.07   41.903 136.198 1 32.562  ? 43 B 1 .
ATOM 2051 C CB   . ARG Bxp B 43 ? 16.107  39.12  137.334 1 30.889  ? 43 B 1 .
ATOM 2052 C CG   . ARG Bxp B 43 ? 15.649  38.185 136.231 1 32.367  ? 43 B 1 .
ATOM 2053 C CD   . ARG Bxp B 43 ? 14.508  37.343 136.729 1 33.708  ? 43 B 1 .
ATOM 2054 N NE   . ARG Bxp B 43 ? 14.006  36.371 135.754 1 36.098  ? 43 B 1 .
ATOM 2055 C CZ   . ARG Bxp B 43 ? 13.059  36.638 134.889 1 37.263  ? 43 B 1 .
ATOM 2056 N NH1  . ARG Bxp B 43 ? 12.585  37.873 134.846 1 36.611  ? 43 B 1 .
ATOM 2057 N NH2  . ARG Bxp B 43 ? 12.597  35.676 134.107 1 39.163  ? 43 B 1 .
ATOM 2058 H H    . ARG Bxp B 43 ? 17.282  40.504 138.984 1 34.079  ? 43 B 1 c
ATOM 2059 H HA   . ARG Bxp B 43 ? 18.122  39.031 136.878 1 31.564  ? 43 B 1 c
ATOM 2060 H HB3  . ARG Bxp B 43 ? 15.448  39.84  137.432 1 31.344  ? 43 B 1 c
ATOM 2061 H HB2  . ARG Bxp B 43 ? 16.135  38.623 138.18  1 31.394  ? 43 B 1 c
ATOM 2062 H HG3  . ARG Bxp B 43 ? 16.389  37.602 135.96  1 32.24   ? 43 B 1 c
ATOM 2063 H HG2  . ARG Bxp B 43 ? 15.354  38.708 135.454 1 32.31   ? 43 B 1 c
ATOM 2064 H HD3  . ARG Bxp B 43 ? 13.777  37.936 136.997 1 33.947  ? 43 B 1 c
ATOM 2065 H HD2  . ARG Bxp B 43 ? 14.801  36.864 137.53  1 33.816  ? 43 B 1 c
ATOM 2066 H HE   . ARG Bxp B 43 ? 14.356  35.578 135.752 1 35.623  ? 43 B 1 c
ATOM 2067 H HH11 . ARG Bxp B 43 ? 13.076  38.518 134.493 1 36.81   ? 43 B 1 c
ATOM 2068 H HH12 . ARG Bxp B 43 ? 11.781  38.046 135.169 1 36.81   ? 43 B 1 c
ATOM 2069 H HH21 . ARG Bxp B 43 ? 12.185  34.98  134.463 1 38.568  ? 43 B 1 c
ATOM 2070 H HH22 . ARG Bxp B 43 ? 12.702  35.734 133.231 1 38.568  ? 43 B 1 c
ATOM 2071 N N    . PRO Bxp B 44 ? 17.986  40.438 134.755 1 30.037  ? 44 B 1 .
ATOM 2072 C CA   . PRO Bxp B 44 ? 17.973  41.365 133.621 1 31.818  ? 44 B 1 .
ATOM 2073 C C    . PRO Bxp B 44 ? 16.633  42.067 133.415 1 33.577  ? 44 B 1 .
ATOM 2074 O O    . PRO Bxp B 44 ? 15.625  41.671 134.001 1 37.064  ? 44 B 1 .
ATOM 2075 C CB   . PRO Bxp B 44 ? 18.267  40.475 132.416 1 30.848  ? 44 B 1 .
ATOM 2076 C CG   . PRO Bxp B 44 ? 19.066  39.352 133.026 1 29.83   ? 44 B 1 .
ATOM 2077 C CD   . PRO Bxp B 44 ? 18.524  39.117 134.395 1 29.215  ? 44 B 1 .
ATOM 2078 H HA   . PRO Bxp B 44 ? 18.684  42.031 133.73  1 31.599  ? 44 B 1 c
ATOM 2079 H HB3  . PRO Bxp B 44 ? 18.79   40.955 131.744 1 30.83   ? 44 B 1 c
ATOM 2080 H HB2  . PRO Bxp B 44 ? 17.444  40.145 132.011 1 30.845  ? 44 B 1 c
ATOM 2081 H HG3  . PRO Bxp B 44 ? 20.013  39.593 133.074 1 29.899  ? 44 B 1 c
ATOM 2082 H HG2  . PRO Bxp B 44 ? 18.982  38.548 132.491 1 29.838  ? 44 B 1 c
ATOM 2083 H HD3  . PRO Bxp B 44 ? 17.82   38.443 134.391 1 29.513  ? 44 B 1 c
ATOM 2084 H HD2  . PRO Bxp B 44 ? 19.229  38.849 135.012 1 29.481  ? 44 B 1 c
ATOM 2085 N N    . GLY Bxp B 45 ? 16.619  43.092 132.561 1 32.874  ? 45 B 1 .
ATOM 2086 C CA   . GLY Bxp B 45 ? 15.422  43.899 132.397 1 35.87   ? 45 B 1 .
ATOM 2087 C C    . GLY Bxp B 45 ? 14.929  43.894 130.956 1 38.623  ? 45 B 1 .
ATOM 2088 O O    . GLY Bxp B 45 ? 15.554  43.266 130.111 1 40.56   ? 45 B 1 .
ATOM 2089 H H    . GLY Bxp B 45 ? 17.364  43.293 132.072 1 33.682  ? 45 B 1 c
ATOM 2090 H HA3  . GLY Bxp B 45 ? 15.621  44.825 132.671 1 35.715  ? 45 B 1 c
ATOM 2091 H HA2  . GLY Bxp B 45 ? 14.712  43.556 132.987 1 35.715  ? 45 B 1 c
ATOM 2092 N N    . MET Bxp B 46 ? 13.834  44.628 130.696 1 39.776  ? 46 B 1 .
ATOM 2093 C CA   . MET Bxp B 46 ? 13.485  45.039 129.346 1 41.893  ? 46 B 1 .
ATOM 2094 C C    . MET Bxp B 46 ? 13.348  43.797 128.485 1 35.481  ? 46 B 1 .
ATOM 2095 O O    . MET Bxp B 46 ? 12.448  43.006 128.744 1 33.9    ? 46 B 1 .
ATOM 2096 C CB   . MET Bxp B 46 ? 14.543  45.967 128.727 1 53.104  ? 46 B 1 .
ATOM 2097 C CG   . MET Bxp B 46 ? 14.758  47.303 129.444 1 63.327  ? 46 B 1 .
ATOM 2098 S SD   . MET Bxp B 46 ? 13.284  48.333 129.615 1 76.626  ? 46 B 1 .
ATOM 2099 C CE   . MET Bxp B 46 ? 12.563  47.736 131.153 1 79.279  ? 46 B 1 .
ATOM 2100 H H    . MET Bxp B 46 ? 13.29   44.877 131.386 1 39.934  ? 46 B 1 c
ATOM 2101 H HA   . MET Bxp B 46 ? 12.611  45.502 129.375 1 42.386  ? 46 B 1 c
ATOM 2102 H HB3  . MET Bxp B 46 ? 14.285  46.154 127.799 1 51.802  ? 46 B 1 c
ATOM 2103 H HB2  . MET Bxp B 46 ? 15.401  45.492 128.706 1 51.763  ? 46 B 1 c
ATOM 2104 H HG3  . MET Bxp B 46 ? 15.433  47.815 128.956 1 63      ? 46 B 1 c
ATOM 2105 H HG2  . MET Bxp B 46 ? 15.114  47.127 130.337 1 63.079  ? 46 B 1 c
ATOM 2106 H HE3  . MET Bxp B 46 ? 13.25   47.296 131.686 1 78.385  ? 46 B 1 c
ATOM 2107 H HE2  . MET Bxp B 46 ? 11.85   47.102 130.952 1 78.206  ? 46 B 1 c
ATOM 2108 H HE1  . MET Bxp B 46 ? 12.196  48.489 131.652 1 78.484  ? 46 B 1 c
ATOM 2109 N N    . LEU Bxp B 47 ? 14.247  43.64  127.491 1 31.483  ? 47 B 1 .
ATOM 2110 C CA   . LEU Bxp B 47 ? 14.128  42.588 126.493 1 29.891  ? 47 B 1 .
ATOM 2111 C C    . LEU Bxp B 47 ? 15.335  41.652 126.478 1 28.06   ? 47 B 1 .
ATOM 2112 O O    . LEU Bxp B 47 ? 15.46   40.822 125.573 1 26.729  ? 47 B 1 .
ATOM 2113 C CB   . LEU Bxp B 47 ? 13.944  43.315 125.17  1 30.63   ? 47 B 1 .
ATOM 2114 C CG   . LEU Bxp B 47 ? 12.805  44.345 125.16  1 33.555  ? 47 B 1 .
ATOM 2115 C CD1  . LEU Bxp B 47 ? 12.989  45.328 124.033 1 34.338  ? 47 B 1 .
ATOM 2116 C CD2  . LEU Bxp B 47 ? 11.411  43.712 125.052 1 35.092  ? 47 B 1 .
ATOM 2117 H H    . LEU Bxp B 47 ? 14.965  44.201 127.438 1 32.442  ? 47 B 1 c
ATOM 2118 H HA   . LEU Bxp B 47 ? 13.317  42.056 126.688 1 30.067  ? 47 B 1 c
ATOM 2119 H HB3  . LEU Bxp B 47 ? 13.766  42.645 124.471 1 31.098  ? 47 B 1 c
ATOM 2120 H HB2  . LEU Bxp B 47 ? 14.786  43.775 124.95  1 31.131  ? 47 B 1 c
ATOM 2121 H HG   . LEU Bxp B 47 ? 12.84   44.856 126.008 1 33.415  ? 47 B 1 c
ATOM 2122 H HD11 . LEU Bxp B 47 ? 13.834  45.797 124.145 1 34.475  ? 47 B 1 c
ATOM 2123 H HD12 . LEU Bxp B 47 ? 12.261  45.971 124.04  1 34.332  ? 47 B 1 c
ATOM 2124 H HD13 . LEU Bxp B 47 ? 12.994  44.854 123.185 1 34.218  ? 47 B 1 c
ATOM 2125 H HD21 . LEU Bxp B 47 ? 11.27   43.108 125.8   1 34.635  ? 47 B 1 c
ATOM 2126 H HD22 . LEU Bxp B 47 ? 11.343  43.216 124.219 1 34.635  ? 47 B 1 c
ATOM 2127 H HD23 . LEU Bxp B 47 ? 10.735  44.41  125.068 1 34.635  ? 47 B 1 c
ATOM 2128 N N    . ASP Bxp B 48 ? 16.191  41.759 127.507 1 26.067  ? 48 B 1 .
ATOM 2129 C CA   . ASP Bxp B 48 ? 17.356  40.913 127.604 1 25.374  ? 48 B 1 .
ATOM 2130 C C    . ASP Bxp B 48 ? 16.888  39.533 128.015 1 25.982  ? 48 B 1 .
ATOM 2131 O O    . ASP Bxp B 48 ? 17.479  38.884 128.856 1 27.633  ? 48 B 1 .
ATOM 2132 C CB   . ASP Bxp B 48 ? 18.382  41.442 128.581 1 27.191  ? 48 B 1 .
ATOM 2133 C CG   . ASP Bxp B 48 ? 19.718  40.702 128.584 1 30.751  ? 48 B 1 .
ATOM 2134 O OD1  . ASP Bxp B 48 ? 19.862  39.674 127.869 1 32.22   ? 48 B 1 .
ATOM 2135 O OD2  . ASP Bxp B 48 ? 20.622  41.149 129.314 1 32.736  ? 48 B 1 .
ATOM 2136 H H    . ASP Bxp B 48 ? 16.036  42.371 128.168 1 26.477  ? 48 B 1 c
ATOM 2137 H HA   . ASP Bxp B 48 ? 17.776  40.855 126.716 1 25.992  ? 48 B 1 c
ATOM 2138 H HB3  . ASP Bxp B 48 ? 18.008  41.404 129.486 1 27.517  ? 48 B 1 c
ATOM 2139 H HB2  . ASP Bxp B 48 ? 18.557  42.383 128.368 1 27.523  ? 48 B 1 c
ATOM 2140 N N    . PHE Bxp B 49 ? 15.88   39.048 127.317 1 27.743  ? 49 B 1 .
ATOM 2141 C CA   . PHE Bxp B 49 ? 15.395  37.697 127.503 1 29.518  ? 49 B 1 .
ATOM 2142 C C    . PHE Bxp B 49 ? 16.534  36.676 127.497 1 29.243  ? 49 B 1 .
ATOM 2143 O O    . PHE Bxp B 49 ? 16.442  35.664 128.187 1 28.021  ? 49 B 1 .
ATOM 2144 C CB   . PHE Bxp B 49 ? 14.427  37.399 126.359 1 31.913  ? 49 B 1 .
ATOM 2145 C CG   . PHE Bxp B 49 ? 13.198  38.293 126.387 1 34.627  ? 49 B 1 .
ATOM 2146 C CD1  . PHE Bxp B 49 ? 12.254  38.154 127.396 1 34.703  ? 49 B 1 .
ATOM 2147 C CD2  . PHE Bxp B 49 ? 13.005  39.284 125.429 1 37.362  ? 49 B 1 .
ATOM 2148 C CE1  . PHE Bxp B 49 ? 11.143  38.967 127.436 1 35.705  ? 49 B 1 .
ATOM 2149 C CE2  . PHE Bxp B 49 ? 11.867  40.075 125.459 1 38.183  ? 49 B 1 .
ATOM 2150 C CZ   . PHE Bxp B 49 ? 10.941  39.908 126.459 1 37.234  ? 49 B 1 .
ATOM 2151 H H    . PHE Bxp B 49 ? 15.493  39.564 126.671 1 27.786  ? 49 B 1 c
ATOM 2152 H HA   . PHE Bxp B 49 ? 14.908  37.641 128.367 1 29.55   ? 49 B 1 c
ATOM 2153 H HB3  . PHE Bxp B 49 ? 14.144  36.46  126.42  1 31.937  ? 49 B 1 c
ATOM 2154 H HB2  . PHE Bxp B 49 ? 14.898  37.526 125.505 1 31.994  ? 49 B 1 c
ATOM 2155 H HD1  . PHE Bxp B 49 ? 12.378  37.497 128.063 1 34.949  ? 49 B 1 c
ATOM 2156 H HD2  . PHE Bxp B 49 ? 13.628  39.383 124.727 1 36.683  ? 49 B 1 c
ATOM 2157 H HE1  . PHE Bxp B 49 ? 10.503  38.853 128.118 1 35.928  ? 49 B 1 c
ATOM 2158 H HE2  . PHE Bxp B 49 ? 11.736  40.738 124.802 1 37.598  ? 49 B 1 c
ATOM 2159 H HZ   . PHE Bxp B 49 ? 10.182  40.464 126.495 1 37.074  ? 49 B 1 c
ATOM 2160 N N    . LYS Bxp B 50 ? 17.586  36.921 126.699 1 29.647  ? 50 B 1 .
ATOM 2161 C CA   . LYS Bxp B 50 ? 18.726  36.016 126.669 1 30.853  ? 50 B 1 .
ATOM 2162 C C    . LYS Bxp B 50 ? 19.386  35.975 128.043 1 27.066  ? 50 B 1 .
ATOM 2163 O O    . LYS Bxp B 50 ? 19.846  34.933 128.511 1 24.186  ? 50 B 1 .
ATOM 2164 C CB   . LYS Bxp B 50 ? 19.831  36.356 125.66  1 34.433  ? 50 B 1 .
ATOM 2165 C CG   . LYS Bxp B 50 ? 20.91   35.249 125.594 1 38.831  ? 50 B 1 .
ATOM 2166 C CD   . LYS Bxp B 50 ? 21.993  35.429 124.531 1 44.506  ? 50 B 1 .
ATOM 2167 C CE   . LYS Bxp B 50 ? 23.001  36.465 124.973 1 56.123  ? 50 B 1 .
ATOM 2168 N NZ   . LYS Bxp B 50 ? 23.763  37.215 123.948 1 63.966  ? 50 B 1 .
ATOM 2169 H H    . LYS Bxp B 50 ? 17.586  37.652 126.152 1 29.776  ? 50 B 1 c
ATOM 2170 H HA   . LYS Bxp B 50 ? 18.389  35.109 126.463 1 30.483  ? 50 B 1 c
ATOM 2171 H HB3  . LYS Bxp B 50 ? 20.257  37.203 125.915 1 34.576  ? 50 B 1 c
ATOM 2172 H HB2  . LYS Bxp B 50 ? 19.436  36.469 124.769 1 34.523  ? 50 B 1 c
ATOM 2173 H HG3  . LYS Bxp B 50 ? 20.462  34.39  125.443 1 38.96   ? 50 B 1 c
ATOM 2174 H HG2  . LYS Bxp B 50 ? 21.347  35.198 126.469 1 39.048  ? 50 B 1 c
ATOM 2175 H HD3  . LYS Bxp B 50 ? 21.58   35.717 123.688 1 45.522  ? 50 B 1 c
ATOM 2176 H HD2  . LYS Bxp B 50 ? 22.45   34.574 124.381 1 45.522  ? 50 B 1 c
ATOM 2177 H HE3  . LYS Bxp B 50 ? 23.647  36.017 125.549 1 54.79   ? 50 B 1 c
ATOM 2178 H HE2  . LYS Bxp B 50 ? 22.54   37.118 125.529 1 54.479  ? 50 B 1 c
ATOM 2179 H HZ1  . LYS Bxp B 50 ? 23.202  37.5   123.297 1 61.441  ? 50 B 1 c
ATOM 2180 H HZ2  . LYS Bxp B 50 ? 24.395  36.678 123.582 1 61.441  ? 50 B 1 c
ATOM 2181 H HZ3  . LYS Bxp B 50 ? 24.166  37.931 124.329 1 61.441  ? 50 B 1 c
ATOM 2182 N N    . GLY Bxp B 51 ? 19.441  37.144 128.667 1 25.826  ? 51 B 1 .
ATOM 2183 C CA   . GLY Bxp B 51 ? 20.063  37.281 129.967 1 26.244  ? 51 B 1 .
ATOM 2184 C C    . GLY Bxp B 51 ? 19.164  36.745 131.072 1 25.873  ? 51 B 1 .
ATOM 2185 O O    . GLY Bxp B 51 ? 19.639  36.129 132.027 1 26.358  ? 51 B 1 .
ATOM 2186 H H    . GLY Bxp B 51 ? 19.095  37.888 128.265 1 26.299  ? 51 B 1 c
ATOM 2187 H HA3  . GLY Bxp B 51 ? 20.256  38.234 130.132 1 26.087  ? 51 B 1 c
ATOM 2188 H HA2  . GLY Bxp B 51 ? 20.92   36.793 129.97  1 26.061  ? 51 B 1 c
ATOM 2189 N N    . LYS Bxp B 52 ? 17.87   37.049 130.949 1 26.085  ? 52 B 1 .
ATOM 2190 C CA   . LYS Bxp B 52 ? 16.885  36.616 131.923 1 26.443  ? 52 B 1 .
ATOM 2191 C C    . LYS Bxp B 52 ? 16.995  35.102 132.027 1 25.394  ? 52 B 1 .
ATOM 2192 O O    . LYS Bxp B 52 ? 17.11   34.552 133.12  1 24.112  ? 52 B 1 .
ATOM 2193 C CB   . LYS Bxp B 52 ? 15.473  37.033 131.501 1 27.799  ? 52 B 1 .
ATOM 2194 C CG   . LYS Bxp B 52 ? 15.34   38.527 131.291 1 31.112  ? 52 B 1 .
ATOM 2195 C CD   . LYS Bxp B 52 ? 13.92   39.012 131.05  1 34.856  ? 52 B 1 .
ATOM 2196 C CE   . LYS Bxp B 52 ? 13.84   40.492 130.83  1 37.769  ? 52 B 1 .
ATOM 2197 N NZ   . LYS Bxp B 52 ? 12.437  40.904 130.787 1 40.407  ? 52 B 1 .
ATOM 2198 H H    . LYS Bxp B 52 ? 17.592  37.536 130.228 1 26.193  ? 52 B 1 c
ATOM 2199 H HA   . LYS Bxp B 52 ? 17.106  37.019 132.799 1 26.435  ? 52 B 1 c
ATOM 2200 H HB3  . LYS Bxp B 52 ? 14.834  36.753 132.19  1 28.209  ? 52 B 1 c
ATOM 2201 H HB2  . LYS Bxp B 52 ? 15.238  36.575 130.666 1 28.209  ? 52 B 1 c
ATOM 2202 H HG3  . LYS Bxp B 52 ? 15.893  38.787 130.529 1 30.994  ? 52 B 1 c
ATOM 2203 H HG2  . LYS Bxp B 52 ? 15.695  38.981 132.085 1 31.087  ? 52 B 1 c
ATOM 2204 H HD3  . LYS Bxp B 52 ? 13.366  38.773 131.825 1 34.633  ? 52 B 1 c
ATOM 2205 H HD2  . LYS Bxp B 52 ? 13.555  38.551 130.264 1 34.609  ? 52 B 1 c
ATOM 2206 H HE3  . LYS Bxp B 52 ? 14.27   40.728 129.988 1 37.684  ? 52 B 1 c
ATOM 2207 H HE2  . LYS Bxp B 52 ? 14.292  40.962 131.553 1 37.684  ? 52 B 1 c
ATOM 2208 H HZ1  . LYS Bxp B 52 ? 12.042  40.732 131.584 1 39.534  ? 52 B 1 c
ATOM 2209 H HZ2  . LYS Bxp B 52 ? 12.003  40.449 130.135 1 39.539  ? 52 B 1 c
ATOM 2210 H HZ3  . LYS Bxp B 52 ? 12.384  41.792 130.615 1 39.561  ? 52 B 1 c
ATOM 2211 N N    . ALA Bxp B 53 ? 17.034  34.462 130.854 1 23.844  ? 53 B 1 .
ATOM 2212 C CA   . ALA Bxp B 53 ? 17.061  33.019 130.748 1 23.245  ? 53 B 1 .
ATOM 2213 C C    . ALA Bxp B 53 ? 18.165  32.44  131.612 1 22.462  ? 53 B 1 .
ATOM 2214 O O    . ALA Bxp B 53 ? 17.96   31.452 132.301 1 21.746  ? 53 B 1 .
ATOM 2215 C CB   . ALA Bxp B 53 ? 17.261  32.642 129.308 1 23.86   ? 53 B 1 .
ATOM 2216 H H    . ALA Bxp B 53 ? 17.035  34.954 130.084 1 24.09   ? 53 B 1 c
ATOM 2217 H HA   . ALA Bxp B 53 ? 16.187  32.661 131.067 1 23.326  ? 53 B 1 c
ATOM 2218 H HB3  . ALA Bxp B 53 ? 17.244  31.675 129.218 1 23.681  ? 53 B 1 c
ATOM 2219 H HB2  . ALA Bxp B 53 ? 18.119  32.978 128.998 1 23.683  ? 53 B 1 c
ATOM 2220 H HB1  . ALA Bxp B 53 ? 16.551  33.027 128.767 1 23.7    ? 53 B 1 c
ATOM 2221 N N    . LYS Bxp B 54 ? 19.341  33.049 131.519 1 23.79   ? 54 B 1 .
ATOM 2222 C CA   . LYS Bxp B 54 ? 20.484  32.612 132.297 1 25.796  ? 54 B 1 .
ATOM 2223 C C    . LYS Bxp B 54 ? 20.219  32.858 133.771 1 23.823  ? 54 B 1 .
ATOM 2224 O O    . LYS Bxp B 54 ? 20.309  31.945 134.589 1 20.852  ? 54 B 1 .
ATOM 2225 C CB   . LYS Bxp B 54 ? 21.714  33.42  131.876 1 30.29   ? 54 B 1 .
ATOM 2226 C CG   . LYS Bxp B 54 ? 22.339  32.98  130.578 1 33.607  ? 54 B 1 .
ATOM 2227 C CD   . LYS Bxp B 54 ? 23.554  33.828 130.233 1 36.969  ? 54 B 1 .
ATOM 2228 C CE   . LYS Bxp B 54 ? 23.987  33.587 128.836 1 43.416  ? 54 B 1 .
ATOM 2229 N NZ   . LYS Bxp B 54 ? 22.788  33.532 127.98  1 50.972  ? 54 B 1 .
ATOM 2230 H H    . LYS Bxp B 54 ? 19.44   33.755 130.947 1 23.978  ? 54 B 1 c
ATOM 2231 H HA   . LYS Bxp B 54 ? 20.632  31.644 132.141 1 25.717  ? 54 B 1 c
ATOM 2232 H HB3  . LYS Bxp B 54 ? 22.389  33.359 132.581 1 29.622  ? 54 B 1 c
ATOM 2233 H HB2  . LYS Bxp B 54 ? 21.461  34.362 131.791 1 29.763  ? 54 B 1 c
ATOM 2234 H HG3  . LYS Bxp B 54 ? 21.666  33.053 129.87  1 33.881  ? 54 B 1 c
ATOM 2235 H HG2  . LYS Bxp B 54 ? 22.608  32.039 130.655 1 33.596  ? 54 B 1 c
ATOM 2236 H HD3  . LYS Bxp B 54 ? 24.291  33.606 130.843 1 37.57   ? 54 B 1 c
ATOM 2237 H HD2  . LYS Bxp B 54 ? 23.332  34.778 130.344 1 37.57   ? 54 B 1 c
ATOM 2238 H HE3  . LYS Bxp B 54 ? 24.47   32.744 128.774 1 43.438  ? 54 B 1 c
ATOM 2239 H HE2  . LYS Bxp B 54 ? 24.569  34.308 128.535 1 43.438  ? 54 B 1 c
ATOM 2240 H HZ1  . LYS Bxp B 54 ? 22.176  34.148 128.24  1 47.977  ? 54 B 1 c
ATOM 2241 H HZ2  . LYS Bxp B 54 ? 22.425  32.702 127.99  1 47.957  ? 54 B 1 c
ATOM 2242 H HZ3  . LYS Bxp B 54 ? 23.034  33.72  127.129 1 48.24   ? 54 B 1 c
ATOM 2243 N N    . TRP Bxp B 55 ? 19.891  34.127 134.049 1 25.218  ? 55 B 1 .
ATOM 2244 C CA   . TRP Bxp B 55 ? 19.567  34.588 135.381 1 24.448  ? 55 B 1 .
ATOM 2245 C C    . TRP Bxp B 55 ? 18.708  33.54  136.067 1 24.237  ? 55 B 1 .
ATOM 2246 O O    . TRP Bxp B 55 ? 19.075  33.06  137.129 1 24.374  ? 55 B 1 .
ATOM 2247 C CB   . TRP Bxp B 55 ? 18.859  35.948 135.369 1 24.256  ? 55 B 1 .
ATOM 2248 C CG   . TRP Bxp B 55 ? 18.879  36.534 136.754 1 26.029  ? 55 B 1 .
ATOM 2249 C CD1  . TRP Bxp B 55 ? 19.764  37.433 137.279 1 27.209  ? 55 B 1 .
ATOM 2250 C CD2  . TRP Bxp B 55 ? 18.028  36.149 137.852 1 25.337  ? 55 B 1 .
ATOM 2251 N NE1  . TRP Bxp B 55 ? 19.505  37.669 138.606 1 25.914  ? 55 B 1 .
ATOM 2252 C CE2  . TRP Bxp B 55 ? 18.448  36.887 138.979 1 24.38   ? 55 B 1 .
ATOM 2253 C CE3  . TRP Bxp B 55 ? 16.959  35.26  137.978 1 24.405  ? 55 B 1 .
ATOM 2254 C CZ2  . TRP Bxp B 55 ? 17.822  36.76  140.207 1 23.57   ? 55 B 1 .
ATOM 2255 C CZ3  . TRP Bxp B 55 ? 16.363  35.113 139.204 1 23.124  ? 55 B 1 .
ATOM 2256 C CH2  . TRP Bxp B 55 ? 16.784  35.861 140.295 1 23.451  ? 55 B 1 .
ATOM 2257 H H    . TRP Bxp B 55 ? 19.865  34.734 133.367 1 24.769  ? 55 B 1 c
ATOM 2258 H HA   . TRP Bxp B 55 ? 20.417  34.683 135.891 1 24.529  ? 55 B 1 c
ATOM 2259 H HB3  . TRP Bxp B 55 ? 17.93   35.826 135.08  1 24.692  ? 55 B 1 c
ATOM 2260 H HB2  . TRP Bxp B 55 ? 19.332  36.547 134.753 1 24.745  ? 55 B 1 c
ATOM 2261 H HD1  . TRP Bxp B 55 ? 20.452  37.856 136.791 1 26.61   ? 55 B 1 c
ATOM 2262 H HE1  . TRP Bxp B 55 ? 19.938  38.222 139.119 1 25.91   ? 55 B 1 c
ATOM 2263 H HE3  . TRP Bxp B 55 ? 16.664  34.76  137.24  1 24.297  ? 55 B 1 c
ATOM 2264 H HZ2  . TRP Bxp B 55 ? 18.117  37.244 140.959 1 23.747  ? 55 B 1 c
ATOM 2265 H HZ3  . TRP Bxp B 55 ? 15.631  34.526 139.298 1 23.52   ? 55 B 1 c
ATOM 2266 H HH2  . TRP Bxp B 55 ? 16.347  35.75  141.121 1 23.431  ? 55 B 1 c
ATOM 2267 N N    . ASP Bxp B 56 ? 17.574  33.193 135.453 1 23.811  ? 56 B 1 .
ATOM 2268 C CA   . ASP Bxp B 56 ? 16.665  32.2   136.009 1 24.086  ? 56 B 1 .
ATOM 2269 C C    . ASP Bxp B 56 ? 17.361  30.859 136.233 1 22.091  ? 56 B 1 .
ATOM 2270 O O    . ASP Bxp B 56 ? 17.21   30.27  137.28  1 23.32   ? 56 B 1 .
ATOM 2271 C CB   . ASP Bxp B 56 ? 15.44   32.021 135.127 1 25.908  ? 56 B 1 .
ATOM 2272 C CG   . ASP Bxp B 56 ? 14.596  33.269 134.916 1 25.57   ? 56 B 1 .
ATOM 2273 O OD1  . ASP Bxp B 56 ? 14.401  34.016 135.886 1 26.565  ? 56 B 1 .
ATOM 2274 O OD2  . ASP Bxp B 56 ? 14.129  33.462 133.792 1 24.904  ? 56 B 1 .
ATOM 2275 H H    . ASP Bxp B 56 ? 17.361  33.585 134.655 1 24.011  ? 56 B 1 c
ATOM 2276 H HA   . ASP Bxp B 56 ? 16.351  32.53  136.881 1 23.989  ? 56 B 1 c
ATOM 2277 H HB3  . ASP Bxp B 56 ? 14.868  31.331 135.524 1 25.384  ? 56 B 1 c
ATOM 2278 H HB2  . ASP Bxp B 56 ? 15.733  31.698 134.249 1 25.396  ? 56 B 1 c
ATOM 2279 N N    . ALA Bxp B 57 ? 18.135  30.382 135.268 1 21.063  ? 57 B 1 .
ATOM 2280 C CA   . ALA Bxp B 57 ? 18.757  29.072 135.373 1 21.667  ? 57 B 1 .
ATOM 2281 C C    . ALA Bxp B 57 ? 19.724  28.948 136.562 1 21.515  ? 57 B 1 .
ATOM 2282 O O    . ALA Bxp B 57 ? 19.673  28.002 137.339 1 19.484  ? 57 B 1 .
ATOM 2283 C CB   . ALA Bxp B 57 ? 19.453  28.796 134.071 1 22.671  ? 57 B 1 .
ATOM 2284 H H    . ALA Bxp B 57 ? 18.279  30.882 134.517 1 21.497  ? 57 B 1 c
ATOM 2285 H HA   . ALA Bxp B 57 ? 18.033  28.399 135.497 1 21.852  ? 57 B 1 c
ATOM 2286 H HB3  . ALA Bxp B 57 ? 19.75   27.871 134.05  1 22.363  ? 57 B 1 c
ATOM 2287 H HB2  . ALA Bxp B 57 ? 20.222  29.382 133.98  1 22.356  ? 57 B 1 c
ATOM 2288 H HB1  . ALA Bxp B 57 ? 18.84   28.952 133.333 1 22.358  ? 57 B 1 c
ATOM 2289 N N    . TRP Bxp B 58 ? 20.669  29.874 136.679 1 23.868  ? 58 B 1 .
ATOM 2290 C CA   . TRP Bxp B 58 ? 21.607  29.865 137.794 1 26.292  ? 58 B 1 .
ATOM 2291 C C    . TRP Bxp B 58 ? 20.858  30.053 139.107 1 27.376  ? 58 B 1 .
ATOM 2292 O O    . TRP Bxp B 58 ? 21.299  29.642 140.188 1 29.424  ? 58 B 1 .
ATOM 2293 C CB   . TRP Bxp B 58 ? 22.639  30.989 137.617 1 26.609  ? 58 B 1 .
ATOM 2294 C CG   . TRP Bxp B 58 ? 23.585  31.18  138.775 1 24.551  ? 58 B 1 .
ATOM 2295 C CD1  . TRP Bxp B 58 ? 24.025  30.229 139.649 1 25.137  ? 58 B 1 .
ATOM 2296 C CD2  . TRP Bxp B 58 ? 24.223  32.412 139.161 1 22.288  ? 58 B 1 .
ATOM 2297 N NE1  . TRP Bxp B 58 ? 24.887  30.777 140.555 1 25.08   ? 58 B 1 .
ATOM 2298 C CE2  . TRP Bxp B 58 ? 25.027  32.111 140.281 1 23.806  ? 58 B 1 .
ATOM 2299 C CE3  . TRP Bxp B 58 ? 24.193  33.719 138.672 1 20.903  ? 58 B 1 .
ATOM 2300 C CZ2  . TRP Bxp B 58 ? 25.785  33.084 140.925 1 24.454  ? 58 B 1 .
ATOM 2301 C CZ3  . TRP Bxp B 58 ? 24.935  34.679 139.314 1 21.647  ? 58 B 1 .
ATOM 2302 C CH2  . TRP Bxp B 58 ? 25.711  34.367 140.428 1 23.556  ? 58 B 1 .
ATOM 2303 H H    . TRP Bxp B 58 ? 20.736  30.532 136.048 1 23.798  ? 58 B 1 c
ATOM 2304 H HA   . TRP Bxp B 58 ? 22.081  28.994 137.812 1 25.841  ? 58 B 1 c
ATOM 2305 H HB3  . TRP Bxp B 58 ? 22.157  31.83  137.465 1 26.016  ? 58 B 1 c
ATOM 2306 H HB2  . TRP Bxp B 58 ? 23.163  30.806 136.809 1 25.955  ? 58 B 1 c
ATOM 2307 H HD1  . TRP Bxp B 58 ? 23.774  29.319 139.637 1 25.001  ? 58 B 1 c
ATOM 2308 H HE1  . TRP Bxp B 58 ? 25.274  30.351 141.207 1 24.761  ? 58 B 1 c
ATOM 2309 H HE3  . TRP Bxp B 58 ? 23.657  33.94  137.929 1 21.449  ? 58 B 1 c
ATOM 2310 H HZ2  . TRP Bxp B 58 ? 26.313  32.877 141.676 1 24.043  ? 58 B 1 c
ATOM 2311 H HZ3  . TRP Bxp B 58 ? 24.919  35.566 138.995 1 21.933  ? 58 B 1 c
ATOM 2312 H HH2  . TRP Bxp B 58 ? 26.223  35.042 140.833 1 23.359  ? 58 B 1 c
ATOM 2313 N N    . ASN Bxp B 59 ? 19.743  30.754 138.982 1 27.52   ? 59 B 1 .
ATOM 2314 C CA   . ASN Bxp B 59 ? 18.858  30.969 140.101 1 29.392  ? 59 B 1 .
ATOM 2315 C C    . ASN Bxp B 59 ? 18.283  29.636 140.569 1 30.368  ? 59 B 1 .
ATOM 2316 O O    . ASN Bxp B 59 ? 18.202  29.394 141.763 1 32.961  ? 59 B 1 .
ATOM 2317 C CB   . ASN Bxp B 59 ? 17.786  31.966 139.706 1 29.622  ? 59 B 1 .
ATOM 2318 C CG   . ASN Bxp B 59 ? 16.823  32.214 140.823 1 28.466  ? 59 B 1 .
ATOM 2319 O OD1  . ASN Bxp B 59 ? 15.695  31.729 140.754 1 33.128  ? 59 B 1 .
ATOM 2320 N ND2  . ASN Bxp B 59 ? 17.247  32.95  141.836 1 27.063  ? 59 B 1 .
ATOM 2321 H H    . ASN Bxp B 59 ? 19.534  31.137 138.179 1 27.791  ? 59 B 1 c
ATOM 2322 H HA   . ASN Bxp B 59 ? 19.377  31.365 140.837 1 29.225  ? 59 B 1 c
ATOM 2323 H HB3  . ASN Bxp B 59 ? 17.298  31.63  138.932 1 29.381  ? 59 B 1 c
ATOM 2324 H HB2  . ASN Bxp B 59 ? 18.209  32.811 139.456 1 29.283  ? 59 B 1 c
ATOM 2325 H HD21 . ASN Bxp B 59 ? 16.977  32.765 142.66  1 27.482  ? 59 B 1 c
ATOM 2326 H HD22 . ASN Bxp B 59 ? 17.802  33.626 141.691 1 27.466  ? 59 B 1 c
ATOM 2327 N N    . GLN Bxp B 60 ? 17.957  28.752 139.63  1 31.907  ? 60 B 1 .
ATOM 2328 C CA   . GLN Bxp B 60 ? 17.406  27.452 139.972 1 35.545  ? 60 B 1 .
ATOM 2329 C C    . GLN Bxp B 60 ? 18.422  26.666 140.796 1 33.584  ? 60 B 1 .
ATOM 2330 O O    . GLN Bxp B 60 ? 18.06   25.714 141.477 1 34.637  ? 60 B 1 .
ATOM 2331 C CB   . GLN Bxp B 60 ? 16.989  26.635 138.74  1 43.464  ? 60 B 1 .
ATOM 2332 C CG   . GLN Bxp B 60 ? 16.071  27.39  137.784 1 52.929  ? 60 B 1 .
ATOM 2333 C CD   . GLN Bxp B 60 ? 14.997  28.156 138.527 1 60.731  ? 60 B 1 .
ATOM 2334 O OE1  . GLN Bxp B 60 ? 14.131  27.517 139.138 1 65.978  ? 60 B 1 .
ATOM 2335 N NE2  . GLN Bxp B 60 ? 15.047  29.496 138.511 1 62.375  ? 60 B 1 .
ATOM 2336 H H    . GLN Bxp B 60 ? 18.074  28.965 138.75  1 32.459  ? 60 B 1 c
ATOM 2337 H HA   . GLN Bxp B 60 ? 16.605  27.599 140.536 1 35.787  ? 60 B 1 c
ATOM 2338 H HB3  . GLN Bxp B 60 ? 16.533  25.822 139.042 1 43.387  ? 60 B 1 c
ATOM 2339 H HB2  . GLN Bxp B 60 ? 17.796  26.361 138.256 1 43.179  ? 60 B 1 c
ATOM 2340 H HG3  . GLN Bxp B 60 ? 15.642  26.752 137.174 1 52.099  ? 60 B 1 c
ATOM 2341 H HG2  . GLN Bxp B 60 ? 16.599  28.011 137.245 1 51.517  ? 60 B 1 c
ATOM 2342 H HE21 . GLN Bxp B 60 ? 14.295  29.967 138.525 1 61.587  ? 60 B 1 c
ATOM 2343 H HE22 . GLN Bxp B 60 ? 15.83   29.909 138.486 1 60.696  ? 60 B 1 c
ATOM 2344 N N    . LEU Bxp B 61 ? 19.694  27.043 140.745 1 31.826  ? 61 B 1 .
ATOM 2345 C CA   . LEU Bxp B 61 ? 20.686  26.242 141.428 1 31.449  ? 61 B 1 .
ATOM 2346 C C    . LEU Bxp B 61 ? 20.883  26.706 142.868 1 32.719  ? 61 B 1 .
ATOM 2347 O O    . LEU Bxp B 61 ? 21.418  25.943 143.676 1 35.417  ? 61 B 1 .
ATOM 2348 C CB   . LEU Bxp B 61 ? 21.986  26.26  140.637 1 31.796  ? 61 B 1 .
ATOM 2349 C CG   . LEU Bxp B 61 ? 21.948  25.464 139.329 1 32.139  ? 61 B 1 .
ATOM 2350 C CD1  . LEU Bxp B 61 ? 23.304  25.518 138.612 1 34.336  ? 61 B 1 .
ATOM 2351 C CD2  . LEU Bxp B 61 ? 21.515  24.031 139.573 1 30.519  ? 61 B 1 .
ATOM 2352 H H    . LEU Bxp B 61 ? 19.955  27.778 140.271 1 32.122  ? 61 B 1 c
ATOM 2353 H HA   . LEU Bxp B 61 ? 20.354  25.311 141.462 1 31.828  ? 61 B 1 c
ATOM 2354 H HB3  . LEU Bxp B 61 ? 22.7    25.892 141.205 1 31.853  ? 61 B 1 c
ATOM 2355 H HB2  . LEU Bxp B 61 ? 22.21   27.196 140.428 1 31.805  ? 61 B 1 c
ATOM 2356 H HG   . LEU Bxp B 61 ? 21.275  25.886 138.734 1 32.156  ? 61 B 1 c
ATOM 2357 H HD11 . LEU Bxp B 61 ? 23.759  26.347 138.836 1 33.534  ? 61 B 1 c
ATOM 2358 H HD12 . LEU Bxp B 61 ? 23.164  25.477 137.655 1 33.197  ? 61 B 1 c
ATOM 2359 H HD13 . LEU Bxp B 61 ? 23.851  24.764 138.891 1 33.523  ? 61 B 1 c
ATOM 2360 H HD21 . LEU Bxp B 61 ? 20.544  23.978 139.559 1 30.998  ? 61 B 1 c
ATOM 2361 H HD22 . LEU Bxp B 61 ? 21.841  23.736 140.44  1 31.002  ? 61 B 1 c
ATOM 2362 H HD23 . LEU Bxp B 61 ? 21.879  23.457 138.88  1 30.995  ? 61 B 1 c
ATOM 2363 N N    . LYS Bxp B 62 ? 20.467  27.935 143.198 1 31.258  ? 62 B 1 .
ATOM 2364 C CA   . LYS Bxp B 62 ? 20.606  28.425 144.56  1 29.948  ? 62 B 1 .
ATOM 2365 C C    . LYS Bxp B 62 ? 20.491  27.282 145.582 1 25.491  ? 62 B 1 .
ATOM 2366 O O    . LYS Bxp B 62 ? 19.609  26.444 145.505 1 21.273  ? 62 B 1 .
ATOM 2367 C CB   . LYS Bxp B 62 ? 19.583  29.539 144.802 1 30.756  ? 62 B 1 .
ATOM 2368 C CG   . LYS Bxp B 62 ? 19.446  29.947 146.26  1 31.425  ? 62 B 1 .
ATOM 2369 C CD   . LYS Bxp B 62 ? 18.645  31.228 146.406 1 32.138  ? 62 B 1 .
ATOM 2370 C CE   . LYS Bxp B 62 ? 19.417  32.442 146.006 1 34.09   ? 62 B 1 .
ATOM 2371 N NZ   . LYS Bxp B 62 ? 18.598  33.658 146.1   1 35.85   ? 62 B 1 .
ATOM 2372 H H    . LYS Bxp B 62 ? 20.098  28.481 142.564 1 31.294  ? 62 B 1 c
ATOM 2373 H HA   . LYS Bxp B 62 ? 21.508  28.825 144.644 1 29.405  ? 62 B 1 c
ATOM 2374 H HB3  . LYS Bxp B 62 ? 18.707  29.241 144.478 1 30.73   ? 62 B 1 c
ATOM 2375 H HB2  . LYS Bxp B 62 ? 19.845  30.325 144.278 1 30.761  ? 62 B 1 c
ATOM 2376 H HG3  . LYS Bxp B 62 ? 20.34   30.076 146.641 1 31.381  ? 62 B 1 c
ATOM 2377 H HG2  . LYS Bxp B 62 ? 18.997  29.227 146.754 1 31.39   ? 62 B 1 c
ATOM 2378 H HD3  . LYS Bxp B 62 ? 18.362  31.323 147.341 1 32.415  ? 62 B 1 c
ATOM 2379 H HD2  . LYS Bxp B 62 ? 17.838  31.165 145.851 1 32.415  ? 62 B 1 c
ATOM 2380 H HE3  . LYS Bxp B 62 ? 19.728  32.345 145.09  1 33.928  ? 62 B 1 c
ATOM 2381 H HE2  . LYS Bxp B 62 ? 20.196  32.538 146.583 1 34.013  ? 62 B 1 c
ATOM 2382 H HZ1  . LYS Bxp B 62 ? 18.37   33.807 146.964 1 35.295  ? 62 B 1 c
ATOM 2383 H HZ2  . LYS Bxp B 62 ? 17.845  33.559 145.606 1 35.28   ? 62 B 1 c
ATOM 2384 H HZ3  . LYS Bxp B 62 ? 19.067  34.368 145.79  1 35.295  ? 62 B 1 c
ATOM 2385 N N    . GLY Bxp B 63 ? 21.417  27.264 146.541 1 24.591  ? 63 B 1 .
ATOM 2386 C CA   . GLY Bxp B 63 ? 21.401  26.308 147.621 1 26.092  ? 63 B 1 .
ATOM 2387 C C    . GLY Bxp B 63 ? 22.146  25.039 147.237 1 28.64   ? 63 B 1 .
ATOM 2388 O O    . GLY Bxp B 63 ? 22.008  23.997 147.875 1 33.302  ? 63 B 1 .
ATOM 2389 H H    . GLY Bxp B 63 ? 22.092  27.878 146.516 1 25.244  ? 63 B 1 c
ATOM 2390 H HA3  . GLY Bxp B 63 ? 20.468  26.088 147.852 1 26.229  ? 63 B 1 c
ATOM 2391 H HA2  . GLY Bxp B 63 ? 21.824  26.711 148.415 1 26.259  ? 63 B 1 c
ATOM 2392 N N    . THR Bxp B 64 ? 22.909  25.104 146.159 1 29.751  ? 64 B 1 .
ATOM 2393 C CA   . THR Bxp B 64 ? 23.727  23.967 145.774 1 31.54   ? 64 B 1 .
ATOM 2394 C C    . THR Bxp B 64 ? 25.116  24.251 146.326 1 33.815  ? 64 B 1 .
ATOM 2395 O O    . THR Bxp B 64 ? 25.374  25.353 146.815 1 42.411  ? 64 B 1 .
ATOM 2396 C CB   . THR Bxp B 64 ? 23.715  23.787 144.254 1 30.293  ? 64 B 1 .
ATOM 2397 O OG1  . THR Bxp B 64 ? 22.353  23.728 143.874 1 28.006  ? 64 B 1 .
ATOM 2398 C CG2  . THR Bxp B 64 ? 24.277  22.466 143.767 1 31.722  ? 64 B 1 .
ATOM 2399 H H    . THR Bxp B 64 ? 22.929  25.86  145.649 1 29.894  ? 64 B 1 c
ATOM 2400 H HA   . THR Bxp B 64 ? 23.371  23.155 146.194 1 31.348  ? 64 B 1 c
ATOM 2401 H HB   . THR Bxp B 64 ? 24.165  24.538 143.802 1 30.432  ? 64 B 1 c
ATOM 2402 H HG1  . THR Bxp B 64 ? 21.882  23.026 144.236 0 34.36   ? 64 B 1 c
ATOM 2403 H HG21 . THR Bxp B 64 ? 23.873  22.234 142.914 1 31.268  ? 64 B 1 c
ATOM 2404 H HG22 . THR Bxp B 64 ? 24.081  21.769 144.417 1 31.288  ? 64 B 1 c
ATOM 2405 H HG23 . THR Bxp B 64 ? 25.239  22.544 143.656 1 31.288  ? 64 B 1 c
ATOM 2406 N N    . SER Bxp B 65 ? 25.998  23.262 146.231 1 30.537  ? 65 B 1 .
ATOM 2407 C CA   . SER Bxp B 65 ? 27.335  23.406 146.754 1 31.207  ? 65 B 1 .
ATOM 2408 C C    . SER Bxp B 65 ? 28.364  23.417 145.63  1 33.318  ? 65 B 1 .
ATOM 2409 O O    . SER Bxp B 65 ? 28.393  22.518 144.77  1 41.045  ? 65 B 1 .
ATOM 2410 C CB   . SER Bxp B 65 ? 27.602  22.302 147.713 1 32.623  ? 65 B 1 .
ATOM 2411 O OG   . SER Bxp B 65 ? 27.785  21.065 147.04  1 31.652  ? 65 B 1 .
ATOM 2412 H H    . SER Bxp B 65 ? 25.755  22.468 145.852 1 31.441  ? 65 B 1 c
ATOM 2413 H HA   . SER Bxp B 65 ? 27.393  24.265 147.242 1 31.788  ? 65 B 1 c
ATOM 2414 H HB3  . SER Bxp B 65 ? 26.852  22.226 148.333 1 32.053  ? 65 B 1 c
ATOM 2415 H HB2  . SER Bxp B 65 ? 28.403  22.512 148.229 1 32.06   ? 65 B 1 c
ATOM 2416 H HG   . SER Bxp B 65 ? 28.243  20.673 147.711 0 29.51   ? 65 B 1 c
ATOM 2417 N N    . LYS Bxp B 66 ? 29.242  24.429 145.691 1 31.723  ? 66 B 1 .
ATOM 2418 C CA   . LYS Bxp B 66 ? 30.391  24.493 144.805 1 32.829  ? 66 B 1 .
ATOM 2419 C C    . LYS Bxp B 66 ? 30.732  23.067 144.36  1 34.058  ? 66 B 1 .
ATOM 2420 O O    . LYS Bxp B 66 ? 30.705  22.743 143.164 1 33.385  ? 66 B 1 .
ATOM 2421 C CB   . LYS Bxp B 66 ? 31.574  25.186 145.501 1 32.986  ? 66 B 1 .
ATOM 2422 C CG   . LYS Bxp B 66 ? 31.474  26.694 145.76  1 33.224  ? 66 B 1 .
ATOM 2423 C CD   . LYS Bxp B 66 ? 31.522  27.567 144.509 1 35.745  ? 66 B 1 .
ATOM 2424 C CE   . LYS Bxp B 66 ? 31.247  29.018 144.743 1 36.789  ? 66 B 1 .
ATOM 2425 N NZ   . LYS Bxp B 66 ? 32.165  29.586 145.73  1 37.111  ? 66 B 1 .
ATOM 2426 H H    . LYS Bxp B 66 ? 29.119  25.098 146.302 1 32.351  ? 66 B 1 c
ATOM 2427 H HA   . LYS Bxp B 66 ? 30.137  25.019 144.008 1 32.743  ? 66 B 1 c
ATOM 2428 H HB3  . LYS Bxp B 66 ? 32.376  25.028 144.958 1 33.016  ? 66 B 1 c
ATOM 2429 H HB2  . LYS Bxp B 66 ? 31.718  24.743 146.364 1 33.035  ? 66 B 1 c
ATOM 2430 H HG3  . LYS Bxp B 66 ? 32.21   26.954 146.355 1 33.741  ? 66 B 1 c
ATOM 2431 H HG2  . LYS Bxp B 66 ? 30.634  26.871 146.236 1 33.72   ? 66 B 1 c
ATOM 2432 H HD3  . LYS Bxp B 66 ? 30.865  27.223 143.869 1 34.796  ? 66 B 1 c
ATOM 2433 H HD2  . LYS Bxp B 66 ? 32.412  27.477 144.107 1 35.072  ? 66 B 1 c
ATOM 2434 H HE3  . LYS Bxp B 66 ? 30.34   29.113 145.077 1 36.34   ? 66 B 1 c
ATOM 2435 H HE2  . LYS Bxp B 66 ? 31.321  29.505 143.906 1 36.339  ? 66 B 1 c
ATOM 2436 H HZ1  . LYS Bxp B 66 ? 32.996  29.242 145.616 1 36.986  ? 66 B 1 c
ATOM 2437 H HZ2  . LYS Bxp B 66 ? 31.875  29.394 146.566 1 36.988  ? 66 B 1 c
ATOM 2438 H HZ3  . LYS Bxp B 66 ? 32.201  30.486 145.629 1 37.002  ? 66 B 1 c
ATOM 2439 N N    . GLU Bxp B 67 ? 30.986  22.215 145.363 1 37.577  ? 67 B 1 .
ATOM 2440 C CA   . GLU Bxp B 67 ? 31.35   20.826 145.14  1 42.718  ? 67 B 1 .
ATOM 2441 C C    . GLU Bxp B 67 ? 30.431  20.238 144.076 1 40.089  ? 67 B 1 .
ATOM 2442 O O    . GLU Bxp B 67 ? 30.867  20.044 142.947 1 44.021  ? 67 B 1 .
ATOM 2443 C CB   . GLU Bxp B 67 ? 31.314  20.007 146.435 1 51.935  ? 67 B 1 .
ATOM 2444 C CG   . GLU Bxp B 67 ? 32.261  20.511 147.527 1 60.006  ? 67 B 1 .
ATOM 2445 C CD   . GLU Bxp B 67 ? 33.566  21.105 147.005 1 69.399  ? 67 B 1 .
ATOM 2446 O OE1  . GLU Bxp B 67 ? 34.262  20.423 146.227 1 74.162  ? 67 B 1 .
ATOM 2447 O OE2  . GLU Bxp B 67 ? 33.897  22.257 147.365 1 75.971  ? 67 B 1 .
ATOM 2448 H H    . GLU Bxp B 67 ? 30.937  22.518 146.223 1 37.802  ? 67 B 1 c
ATOM 2449 H HA   . GLU Bxp B 67 ? 32.273  20.808 144.782 1 42.933  ? 67 B 1 c
ATOM 2450 H HB3  . GLU Bxp B 67 ? 31.541  19.077 146.226 1 51.302  ? 67 B 1 c
ATOM 2451 H HB2  . GLU Bxp B 67 ? 30.402  20.018 146.792 1 51.155  ? 67 B 1 c
ATOM 2452 H HG3  . GLU Bxp B 67 ? 32.478  19.767 148.128 1 60.055  ? 67 B 1 c
ATOM 2453 H HG2  . GLU Bxp B 67 ? 31.799  21.194 148.058 1 60.125  ? 67 B 1 c
ATOM 2454 N N    . ASP Bxp B 68 ? 29.165  19.995 144.434 1 37.942  ? 68 B 1 .
ATOM 2455 C CA   . ASP Bxp B 68 ? 28.233  19.343 143.534 1 36.927  ? 68 B 1 .
ATOM 2456 C C    . ASP Bxp B 68 ? 28.204  20.07  142.205 1 36.918  ? 68 B 1 .
ATOM 2457 O O    . ASP Bxp B 68 ? 28.475  19.454 141.172 1 42.111  ? 68 B 1 .
ATOM 2458 C CB   . ASP Bxp B 68 ? 26.819  19.33  144.061 1 38.401  ? 68 B 1 .
ATOM 2459 C CG   . ASP Bxp B 68 ? 26.645  18.444 145.275 1 41.176  ? 68 B 1 .
ATOM 2460 O OD1  . ASP Bxp B 68 ? 27.273  17.348 145.283 1 40.152  ? 68 B 1 .
ATOM 2461 O OD2  . ASP Bxp B 68 ? 25.869  18.869 146.17  1 42.917  ? 68 B 1 .
ATOM 2462 H H    . ASP Bxp B 68 ? 28.87   20.258 145.258 1 38.42   ? 68 B 1 c
ATOM 2463 H HA   . ASP Bxp B 68 ? 28.535  18.419 143.385 1 37.43   ? 68 B 1 c
ATOM 2464 H HB3  . ASP Bxp B 68 ? 26.214  19.011 143.359 1 38.659  ? 68 B 1 c
ATOM 2465 H HB2  . ASP Bxp B 68 ? 26.555  20.242 144.303 1 38.635  ? 68 B 1 c
ATOM 2466 N N    . ALA Bxp B 69 ? 27.92   21.374 142.247 1 33.058  ? 69 B 1 .
ATOM 2467 C CA   . ALA Bxp B 69 ? 27.944  22.16  141.026 1 33.071  ? 69 B 1 .
ATOM 2468 C C    . ALA Bxp B 69 ? 29.131  21.72  140.152 1 31.963  ? 69 B 1 .
ATOM 2469 O O    . ALA Bxp B 69 ? 28.964  21.206 139.041 1 30.299  ? 69 B 1 .
ATOM 2470 C CB   . ALA Bxp B 69 ? 27.958  23.641 141.363 1 31.923  ? 69 B 1 .
ATOM 2471 H H    . ALA Bxp B 69 ? 27.714  21.779 143.04  1 34.029  ? 69 B 1 c
ATOM 2472 H HA   . ALA Bxp B 69 ? 27.108  21.959 140.522 1 32.652  ? 69 B 1 c
ATOM 2473 H HB3  . ALA Bxp B 69 ? 28.073  24.16  140.549 1 32.145  ? 69 B 1 c
ATOM 2474 H HB2  . ALA Bxp B 69 ? 28.691  23.832 141.971 1 32.237  ? 69 B 1 c
ATOM 2475 H HB1  . ALA Bxp B 69 ? 27.119  23.888 141.785 1 32.232  ? 69 B 1 c
ATOM 2476 N N    . MET Bxp B 70 ? 30.346  21.855 140.687 1 32.133  ? 70 B 1 .
ATOM 2477 C CA   . MET Bxp B 70 ? 31.538  21.493 139.935 1 35.123  ? 70 B 1 .
ATOM 2478 C C    . MET Bxp B 70 ? 31.331  20.123 139.27  1 34.518  ? 70 B 1 .
ATOM 2479 O O    . MET Bxp B 70 ? 31.653  19.901 138.103 1 35.67   ? 70 B 1 .
ATOM 2480 C CB   . MET Bxp B 70 ? 32.796  21.48  140.831 1 38.692  ? 70 B 1 .
ATOM 2481 C CG   . MET Bxp B 70 ? 33.252  22.846 141.375 1 41.902  ? 70 B 1 .
ATOM 2482 S SD   . MET Bxp B 70 ? 34.976  22.956 141.942 1 46.824  ? 70 B 1 .
ATOM 2483 C CE   . MET Bxp B 70 ? 34.806  22.408 143.655 1 54.866  ? 70 B 1 .
ATOM 2484 H H    . MET Bxp B 70 ? 30.437  22.179 141.537 1 32.817  ? 70 B 1 c
ATOM 2485 H HA   . MET Bxp B 70 ? 31.66   22.166 139.22  1 35.06   ? 70 B 1 c
ATOM 2486 H HB3  . MET Bxp B 70 ? 33.534  21.091 140.314 1 38.527  ? 70 B 1 c
ATOM 2487 H HB2  . MET Bxp B 70 ? 32.627  20.883 141.59  1 38.573  ? 70 B 1 c
ATOM 2488 H HG3  . MET Bxp B 70 ? 32.675  23.095 142.119 1 41.827  ? 70 B 1 c
ATOM 2489 H HG2  . MET Bxp B 70 ? 33.125  23.513 140.674 1 41.512  ? 70 B 1 c
ATOM 2490 H HE3  . MET Bxp B 70 ? 34.606  21.454 143.672 1 52.747  ? 70 B 1 c
ATOM 2491 H HE2  . MET Bxp B 70 ? 34.082  22.9   144.083 1 52.747  ? 70 B 1 c
ATOM 2492 H HE1  . MET Bxp B 70 ? 35.64   22.574 144.133 1 52.747  ? 70 B 1 c
ATOM 2493 N N    . LYS Bxp B 71 ? 30.826  19.159 140.026 1 34.203  ? 71 B 1 .
ATOM 2494 C CA   . LYS Bxp B 71 ? 30.811  17.806 139.527 1 35.101  ? 71 B 1 .
ATOM 2495 C C    . LYS Bxp B 71 ? 29.795  17.727 138.402 1 33.623  ? 71 B 1 .
ATOM 2496 O O    . LYS Bxp B 71 ? 30.11   17.279 137.309 1 31.781  ? 71 B 1 .
ATOM 2497 C CB   . LYS Bxp B 71 ? 30.54   16.836 140.669 1 39.816  ? 71 B 1 .
ATOM 2498 C CG   . LYS Bxp B 71 ? 30.678  15.395 140.26  1 46.774  ? 71 B 1 .
ATOM 2499 C CD   . LYS Bxp B 71 ? 29.802  14.487 141.113 1 57.5    ? 71 B 1 .
ATOM 2500 C CE   . LYS Bxp B 71 ? 28.325  14.697 140.899 1 64.896  ? 71 B 1 .
ATOM 2501 N NZ   . LYS Bxp B 71 ? 27.531  13.666 141.576 1 70.171  ? 71 B 1 .
ATOM 2502 H H    . LYS Bxp B 71 ? 30.505  19.337 140.863 1 34.5    ? 71 B 1 c
ATOM 2503 H HA   . LYS Bxp B 71 ? 31.707  17.602 139.156 1 35.436  ? 71 B 1 c
ATOM 2504 H HB3  . LYS Bxp B 71 ? 29.633  16.989 141.008 1 40.501  ? 71 B 1 c
ATOM 2505 H HB2  . LYS Bxp B 71 ? 31.169  17.017 141.4   1 40.23   ? 71 B 1 c
ATOM 2506 H HG3  . LYS Bxp B 71 ? 31.618  15.125 140.355 1 47.195  ? 71 B 1 c
ATOM 2507 H HG2  . LYS Bxp B 71 ? 30.423  15.301 139.317 1 47.067  ? 71 B 1 c
ATOM 2508 H HD3  . LYS Bxp B 71 ? 30.012  14.644 142.06  1 56.419  ? 71 B 1 c
ATOM 2509 H HD2  . LYS Bxp B 71 ? 30.024  13.552 140.91  1 56.476  ? 71 B 1 c
ATOM 2510 H HE3  . LYS Bxp B 71 ? 28.128  14.673 139.946 1 64.169  ? 71 B 1 c
ATOM 2511 H HE2  . LYS Bxp B 71 ? 28.06   15.568 141.243 1 63.928  ? 71 B 1 c
ATOM 2512 H HZ1  . LYS Bxp B 71 ? 27.684  13.699 142.468 1 68.483  ? 71 B 1 c
ATOM 2513 H HZ2  . LYS Bxp B 71 ? 27.761  12.848 141.264 1 68.415  ? 71 B 1 c
ATOM 2514 H HZ3  . LYS Bxp B 71 ? 26.65   13.807 141.419 1 68.483  ? 71 B 1 c
ATOM 2515 N N    . SER Bxp B 72 ? 28.578  18.183 138.673 1 37.125  ? 72 B 1 .
ATOM 2516 C CA   . SER Bxp B 72 ? 27.553  18.203 137.637 1 44.881  ? 72 B 1 .
ATOM 2517 C C    . SER Bxp B 72 ? 28.119  18.743 136.312 1 36.994  ? 72 B 1 .
ATOM 2518 O O    . SER Bxp B 72 ? 27.974  18.113 135.269 1 33.545  ? 72 B 1 .
ATOM 2519 C CB   . SER Bxp B 72 ? 26.361  18.995 138.104 1 53.226  ? 72 B 1 .
ATOM 2520 O OG   . SER Bxp B 72 ? 26.757  20.343 138.303 1 72.043  ? 72 B 1 .
ATOM 2521 H H    . SER Bxp B 72 ? 28.374  18.481 139.513 1 37.881  ? 72 B 1 c
ATOM 2522 H HA   . SER Bxp B 72 ? 27.26   17.268 137.484 1 43.118  ? 72 B 1 c
ATOM 2523 H HB3  . SER Bxp B 72 ? 26.024  18.621 138.94  1 55.066  ? 72 B 1 c
ATOM 2524 H HB2  . SER Bxp B 72 ? 25.654  18.953 137.432 1 55.066  ? 72 B 1 c
ATOM 2525 H HG   . SER Bxp B 72 ? 26.116  21.002 138.483 0 21.77   ? 72 B 1 c
ATOM 2526 N N    . TYR Bxp B 73 ? 28.782  19.906 136.373 1 32.99   ? 73 B 1 .
ATOM 2527 C CA   . TYR Bxp B 73 ? 29.478  20.507 135.244 1 30.785  ? 73 B 1 .
ATOM 2528 C C    . TYR Bxp B 73 ? 30.306  19.453 134.516 1 33.421  ? 73 B 1 .
ATOM 2529 O O    . TYR Bxp B 73 ? 29.777  18.761 133.667 1 36.838  ? 73 B 1 .
ATOM 2530 C CB   . TYR Bxp B 73 ? 30.359  21.646 135.761 1 28.711  ? 73 B 1 .
ATOM 2531 C CG   . TYR Bxp B 73 ? 30.995  22.565 134.729 1 27.359  ? 73 B 1 .
ATOM 2532 C CD1  . TYR Bxp B 73 ? 30.388  23.777 134.425 1 28.128  ? 73 B 1 .
ATOM 2533 C CD2  . TYR Bxp B 73 ? 32.199  22.28  134.099 1 26.959  ? 73 B 1 .
ATOM 2534 C CE1  . TYR Bxp B 73 ? 30.939  24.677 133.528 1 26.199  ? 73 B 1 .
ATOM 2535 C CE2  . TYR Bxp B 73 ? 32.764  23.171 133.191 1 27.063  ? 73 B 1 .
ATOM 2536 C CZ   . TYR Bxp B 73 ? 32.127  24.369 132.907 1 25.647  ? 73 B 1 .
ATOM 2537 O OH   . TYR Bxp B 73 ? 32.62   25.259 132.019 1 24.933  ? 73 B 1 .
ATOM 2538 H H    . TYR Bxp B 73 ? 28.795  20.351 137.172 1 33.39   ? 73 B 1 c
ATOM 2539 H HA   . TYR Bxp B 73 ? 28.805  20.881 134.615 1 31.273  ? 73 B 1 c
ATOM 2540 H HB3  . TYR Bxp B 73 ? 31.07   21.263 136.314 1 28.987  ? 73 B 1 c
ATOM 2541 H HB2  . TYR Bxp B 73 ? 29.811  22.198 136.361 1 28.893  ? 73 B 1 c
ATOM 2542 H HD1  . TYR Bxp B 73 ? 29.576  24     134.851 1 27.478  ? 73 B 1 c
ATOM 2543 H HD2  . TYR Bxp B 73 ? 32.647  21.474 134.292 1 27.189  ? 73 B 1 c
ATOM 2544 H HE1  . TYR Bxp B 73 ? 30.496  25.481 133.329 1 26.464  ? 73 B 1 c
ATOM 2545 H HE2  . TYR Bxp B 73 ? 33.575  22.958 132.764 1 26.713  ? 73 B 1 c
ATOM 2546 H HH   . TYR Bxp B 73 ? 32.105  26.004 132.05  0 23.02   ? 73 B 1 c
ATOM 2547 N N    . ILE Bxp B 74 ? 31.579  19.287 134.897 1 36.284  ? 74 B 1 .
ATOM 2548 C CA   . ILE Bxp B 74 ? 32.465  18.26  134.353 1 36.46   ? 74 B 1 .
ATOM 2549 C C    . ILE Bxp B 74 ? 31.646  17.058 133.881 1 34.127  ? 74 B 1 .
ATOM 2550 O O    . ILE Bxp B 74 ? 31.825  16.574 132.763 1 31.429  ? 74 B 1 .
ATOM 2551 C CB   . ILE Bxp B 74 ? 33.544  17.806 135.368 1 37.826  ? 74 B 1 .
ATOM 2552 C CG1  . ILE Bxp B 74 ? 34.425  18.972 135.945 1 38.987  ? 74 B 1 .
ATOM 2553 C CG2  . ILE Bxp B 74 ? 34.406  16.712 134.726 1 37.805  ? 74 B 1 .
ATOM 2554 C CD1  . ILE Bxp B 74 ? 35.453  18.551 136.983 1 39.266  ? 74 B 1 .
ATOM 2555 H H    . ILE Bxp B 74 ? 31.91   19.829 135.552 1 35.368  ? 74 B 1 c
ATOM 2556 H HA   . ILE Bxp B 74 ? 32.922  18.64  133.577 1 36.235  ? 74 B 1 c
ATOM 2557 H HB   . ILE Bxp B 74 ? 33.075  17.4   136.124 1 37.772  ? 74 B 1 c
ATOM 2558 H HG12 . ILE Bxp B 74 ? 33.835  19.639 136.349 1 38.718  ? 74 B 1 c
ATOM 2559 H HG13 . ILE Bxp B 74 ? 34.894  19.402 135.202 1 38.626  ? 74 B 1 c
ATOM 2560 H HG21 . ILE Bxp B 74 ? 35.28   16.691 135.15  1 37.823  ? 74 B 1 c
ATOM 2561 H HG22 . ILE Bxp B 74 ? 34.514  16.895 133.778 1 37.775  ? 74 B 1 c
ATOM 2562 H HG23 . ILE Bxp B 74 ? 33.975  15.848 134.841 1 37.789  ? 74 B 1 c
ATOM 2563 H HD11 . ILE Bxp B 74 ? 35.097  17.806 137.503 1 39.219  ? 74 B 1 c
ATOM 2564 H HD12 . ILE Bxp B 74 ? 35.648  19.297 137.582 1 39.19   ? 74 B 1 c
ATOM 2565 H HD13 . ILE Bxp B 74 ? 36.27   18.271 136.538 1 39.362  ? 74 B 1 c
ATOM 2566 N N    . ASP Bxp B 75 ? 30.763  16.562 134.749 1 34.58   ? 75 B 1 .
ATOM 2567 C CA   . ASP Bxp B 75 ? 29.867  15.493 134.344 1 38.475  ? 75 B 1 .
ATOM 2568 C C    . ASP Bxp B 75 ? 29.262  15.787 132.974 1 37.689  ? 75 B 1 .
ATOM 2569 O O    . ASP Bxp B 75 ? 29.465  15.037 132.025 1 37.967  ? 75 B 1 .
ATOM 2570 C CB   . ASP Bxp B 75 ? 28.764  15.234 135.356 1 42.352  ? 75 B 1 .
ATOM 2571 C CG   . ASP Bxp B 75 ? 29.073  14.158 136.387 1 47.398  ? 75 B 1 .
ATOM 2572 O OD1  . ASP Bxp B 75 ? 30.146  13.513 136.263 1 49.834  ? 75 B 1 .
ATOM 2573 O OD2  . ASP Bxp B 75 ? 28.249  13.994 137.321 1 50.814  ? 75 B 1 .
ATOM 2574 H H    . ASP Bxp B 75 ? 30.726  16.881 135.605 1 35.403  ? 75 B 1 c
ATOM 2575 H HA   . ASP Bxp B 75 ? 30.399  14.67  134.266 1 38.329  ? 75 B 1 c
ATOM 2576 H HB3  . ASP Bxp B 75 ? 27.951  14.965 134.88  1 42.453  ? 75 B 1 c
ATOM 2577 H HB2  . ASP Bxp B 75 ? 28.565  16.056 135.842 1 42.3    ? 75 B 1 c
ATOM 2578 N N    . LYS Bxp B 76 ? 28.541  16.907 132.883 1 36.59   ? 76 B 1 .
ATOM 2579 C CA   . LYS Bxp B 76 ? 27.848  17.317 131.675 1 32.113  ? 76 B 1 .
ATOM 2580 C C    . LYS Bxp B 76 ? 28.802  17.497 130.501 1 29.288  ? 76 B 1 .
ATOM 2581 O O    . LYS Bxp B 76 ? 28.516  16.995 129.421 1 29.291  ? 76 B 1 .
ATOM 2582 C CB   . LYS Bxp B 76 ? 27.14   18.65  131.907 1 29.85   ? 76 B 1 .
ATOM 2583 C CG   . LYS Bxp B 76 ? 26.279  19.105 130.768 1 29.879  ? 76 B 1 .
ATOM 2584 C CD   . LYS Bxp B 76 ? 25.258  18.064 130.326 1 33.812  ? 76 B 1 .
ATOM 2585 C CE   . LYS Bxp B 76 ? 24.183  17.748 131.331 1 35.78   ? 76 B 1 .
ATOM 2586 N NZ   . LYS Bxp B 76 ? 23.358  16.608 130.912 1 35.742  ? 76 B 1 .
ATOM 2587 H H    . LYS Bxp B 76 ? 28.476  17.444 133.62  1 35.713  ? 76 B 1 c
ATOM 2588 H HA   . LYS Bxp B 76 ? 27.186  16.618 131.447 1 31.974  ? 76 B 1 c
ATOM 2589 H HB3  . LYS Bxp B 76 ? 27.813  19.341 132.084 1 30.34   ? 76 B 1 c
ATOM 2590 H HB2  . LYS Bxp B 76 ? 26.581  18.564 132.706 1 30.24   ? 76 B 1 c
ATOM 2591 H HG3  . LYS Bxp B 76 ? 26.856  19.33  130.007 1 30.66   ? 76 B 1 c
ATOM 2592 H HG2  . LYS Bxp B 76 ? 25.808  19.921 131.035 1 30.448  ? 76 B 1 c
ATOM 2593 H HD3  . LYS Bxp B 76 ? 25.726  17.234 130.093 1 33.29   ? 76 B 1 c
ATOM 2594 H HD2  . LYS Bxp B 76 ? 24.829  18.388 129.504 1 33.3    ? 76 B 1 c
ATOM 2595 H HE3  . LYS Bxp B 76 ? 23.61   18.527 131.446 1 35.301  ? 76 B 1 c
ATOM 2596 H HE2  . LYS Bxp B 76 ? 24.588  17.541 132.192 1 35.249  ? 76 B 1 c
ATOM 2597 H HZ1  . LYS Bxp B 76 ? 23.844  15.845 130.962 1 35.741  ? 76 B 1 c
ATOM 2598 H HZ2  . LYS Bxp B 76 ? 23.079  16.728 130.058 1 35.74   ? 76 B 1 c
ATOM 2599 H HZ3  . LYS Bxp B 76 ? 22.636  16.537 131.454 1 35.749  ? 76 B 1 c
ATOM 2600 N N    . VAL Bxp B 77 ? 29.902  18.228 130.707 1 26.925  ? 77 B 1 .
ATOM 2601 C CA   . VAL Bxp B 77 ? 30.814  18.532 129.618 1 27.145  ? 77 B 1 .
ATOM 2602 C C    . VAL Bxp B 77 ? 31.081  17.227 128.88  1 28.714  ? 77 B 1 .
ATOM 2603 O O    . VAL Bxp B 77 ? 30.773  17.105 127.697 1 26.945  ? 77 B 1 .
ATOM 2604 C CB   . VAL Bxp B 77 ? 32.136  19.216 130.028 1 26.183  ? 77 B 1 .
ATOM 2605 C CG1  . VAL Bxp B 77 ? 33.079  19.371 128.84  1 25.604  ? 77 B 1 .
ATOM 2606 C CG2  . VAL Bxp B 77 ? 31.921  20.567 130.701 1 25.354  ? 77 B 1 .
ATOM 2607 H H    . VAL Bxp B 77 ? 30.087  18.545 131.544 1 27.587  ? 77 B 1 c
ATOM 2608 H HA   . VAL Bxp B 77 ? 30.349  19.132 129.004 1 27.241  ? 77 B 1 c
ATOM 2609 H HB   . VAL Bxp B 77 ? 32.576  18.625 130.683 1 26.128  ? 77 B 1 c
ATOM 2610 H HG11 . VAL Bxp B 77 ? 32.564  19.563 128.039 1 25.825  ? 77 B 1 c
ATOM 2611 H HG12 . VAL Bxp B 77 ? 33.579  18.548 128.713 1 25.916  ? 77 B 1 c
ATOM 2612 H HG13 . VAL Bxp B 77 ? 33.7    20.1   129.007 1 25.806  ? 77 B 1 c
ATOM 2613 H HG21 . VAL Bxp B 77 ? 32.747  21.079 130.681 1 25.616  ? 77 B 1 c
ATOM 2614 H HG22 . VAL Bxp B 77 ? 31.648  20.431 131.623 1 25.6    ? 77 B 1 c
ATOM 2615 H HG23 . VAL Bxp B 77 ? 31.228  21.058 130.228 1 25.6    ? 77 B 1 c
ATOM 2616 N N    . GLU Bxp B 78 ? 31.577  16.233 129.626 1 33.149  ? 78 B 1 .
ATOM 2617 C CA   . GLU Bxp B 78 ? 31.894  14.912 129.091 1 36.078  ? 78 B 1 .
ATOM 2618 C C    . GLU Bxp B 78 ? 30.813  14.431 128.121 1 34.783  ? 78 B 1 .
ATOM 2619 O O    . GLU Bxp B 78 ? 31.124  13.892 127.055 1 35.508  ? 78 B 1 .
ATOM 2620 C CB   . GLU Bxp B 78 ? 32.1    13.912 130.233 1 37.466  ? 78 B 1 .
ATOM 2621 C CG   . GLU Bxp B 78 ? 33.397  14.136 131.012 1 39.875  ? 78 B 1 .
ATOM 2622 C CD   . GLU Bxp B 78 ? 34.686  14.028 130.204 1 42.198  ? 78 B 1 .
ATOM 2623 O OE1  . GLU Bxp B 78 ? 34.891  12.958 129.586 1 40.447  ? 78 B 1 .
ATOM 2624 O OE2  . GLU Bxp B 78 ? 35.481  15.005 130.185 1 44.051  ? 78 B 1 .
ATOM 2625 H H    . GLU Bxp B 78 ? 31.727  16.388 130.514 1 32.594  ? 78 B 1 c
ATOM 2626 H HA   . GLU Bxp B 78 ? 32.743  14.985 128.587 1 35.524  ? 78 B 1 c
ATOM 2627 H HB3  . GLU Bxp B 78 ? 32.109  13.005 129.861 1 37.661  ? 78 B 1 c
ATOM 2628 H HB2  . GLU Bxp B 78 ? 31.343  13.973 130.849 1 37.675  ? 78 B 1 c
ATOM 2629 H HG3  . GLU Bxp B 78 ? 33.439  13.484 131.744 1 39.812  ? 78 B 1 c
ATOM 2630 H HG2  . GLU Bxp B 78 ? 33.368  15.026 131.421 1 39.746  ? 78 B 1 c
ATOM 2631 N N    . GLU Bxp B 79 ? 29.549  14.634 128.512 1 34.101  ? 79 B 1 .
ATOM 2632 C CA   . GLU Bxp B 79 ? 28.398  14.212 127.733 1 34.554  ? 79 B 1 .
ATOM 2633 C C    . GLU Bxp B 79 ? 28.383  14.944 126.397 1 32.876  ? 79 B 1 .
ATOM 2634 O O    . GLU Bxp B 79 ? 28.299  14.333 125.336 1 33.847  ? 79 B 1 .
ATOM 2635 C CB   . GLU Bxp B 79 ? 27.107  14.505 128.502 1 37.298  ? 79 B 1 .
ATOM 2636 C CG   . GLU Bxp B 79 ? 25.899  13.694 128.031 1 37.729  ? 79 B 1 .
ATOM 2637 C CD   . GLU Bxp B 79 ? 24.636  14.018 128.81  1 33.66   ? 79 B 1 .
ATOM 2638 O OE1  . GLU Bxp B 79 ? 24.778  14.284 130.021 1 32.792  ? 79 B 1 .
ATOM 2639 O OE2  . GLU Bxp B 79 ? 23.536  13.998 128.224 1 28.942  ? 79 B 1 .
ATOM 2640 H H    . GLU Bxp B 79 ? 29.401  15.042 129.316 1 34.342  ? 79 B 1 c
ATOM 2641 H HA   . GLU Bxp B 79 ? 28.469  13.238 127.567 1 34.628  ? 79 B 1 c
ATOM 2642 H HB3  . GLU Bxp B 79 ? 26.891  15.456 128.413 1 36.63   ? 79 B 1 c
ATOM 2643 H HB2  . GLU Bxp B 79 ? 27.26   14.321 129.452 1 36.672  ? 79 B 1 c
ATOM 2644 H HG3  . GLU Bxp B 79 ? 26.094  12.738 128.13  1 36.655  ? 79 B 1 c
ATOM 2645 H HG2  . GLU Bxp B 79 ? 25.739  13.874 127.081 1 36.642  ? 79 B 1 c
ATOM 2646 N N    . LEU Bxp B 80 ? 28.455  16.267 126.468 1 33.411  ? 80 B 1 .
ATOM 2647 C CA   . LEU Bxp B 80 ? 28.467  17.073 125.263 1 35.128  ? 80 B 1 .
ATOM 2648 C C    . LEU Bxp B 80 ? 29.633  16.612 124.397 1 37.845  ? 80 B 1 .
ATOM 2649 O O    . LEU Bxp B 80 ? 29.42   16.163 123.276 1 40.625  ? 80 B 1 .
ATOM 2650 C CB   . LEU Bxp B 80 ? 28.566  18.549 125.636 1 34.291  ? 80 B 1 .
ATOM 2651 C CG   . LEU Bxp B 80 ? 27.504  19.058 126.621 1 33.222  ? 80 B 1 .
ATOM 2652 C CD1  . LEU Bxp B 80 ? 27.96   20.38  127.239 1 33.191  ? 80 B 1 .
ATOM 2653 C CD2  . LEU Bxp B 80 ? 26.109  19.198 125.987 1 31.946  ? 80 B 1 .
ATOM 2654 H H    . LEU Bxp B 80 ? 28.521  16.676 127.282 1 33.705  ? 80 B 1 c
ATOM 2655 H HA   . LEU Bxp B 80 ? 27.622  16.916 124.773 1 35.143  ? 80 B 1 c
ATOM 2656 H HB3  . LEU Bxp B 80 ? 28.503  19.08  124.808 1 34.178  ? 80 B 1 c
ATOM 2657 H HB2  . LEU Bxp B 80 ? 29.456  18.71  126.026 1 34.239  ? 80 B 1 c
ATOM 2658 H HG   . LEU Bxp B 80 ? 27.428  18.402 127.359 1 33.175  ? 80 B 1 c
ATOM 2659 H HD11 . LEU Bxp B 80 ? 28.8    20.248 127.709 1 33.159  ? 80 B 1 c
ATOM 2660 H HD12 . LEU Bxp B 80 ? 27.286  20.696 127.864 1 33.19   ? 80 B 1 c
ATOM 2661 H HD13 . LEU Bxp B 80 ? 28.084  21.041 126.537 1 33.19   ? 80 B 1 c
ATOM 2662 H HD21 . LEU Bxp B 80 ? 25.978  18.493 125.331 1 32.262  ? 80 B 1 c
ATOM 2663 H HD22 . LEU Bxp B 80 ? 26.035  20.063 125.551 1 32.264  ? 80 B 1 c
ATOM 2664 H HD23 . LEU Bxp B 80 ? 25.43   19.125 126.679 1 32.258  ? 80 B 1 c
ATOM 2665 N N    . LYS Bxp B 81 ? 30.842  16.646 124.982 1 40.895  ? 81 B 1 .
ATOM 2666 C CA   . LYS Bxp B 81 ? 32.062  16.196 124.324 1 43.535  ? 81 B 1 .
ATOM 2667 C C    . LYS Bxp B 81 ? 31.824  14.969 123.448 1 47.953  ? 81 B 1 .
ATOM 2668 O O    . LYS Bxp B 81 ? 32.267  14.956 122.296 1 53.512  ? 81 B 1 .
ATOM 2669 C CB   . LYS Bxp B 81 ? 33.156  15.857 125.334 1 42.072  ? 81 B 1 .
ATOM 2670 C CG   . LYS Bxp B 81 ? 34.059  17.032 125.585 1 45.326  ? 81 B 1 .
ATOM 2671 C CD   . LYS Bxp B 81 ? 34.982  16.889 126.786 1 47.44   ? 81 B 1 .
ATOM 2672 C CE   . LYS Bxp B 81 ? 35.862  15.693 126.703 1 46.879  ? 81 B 1 .
ATOM 2673 N NZ   . LYS Bxp B 81 ? 36.625  15.574 127.944 1 46.792  ? 81 B 1 .
ATOM 2674 H H    . LYS Bxp B 81 ? 30.906  16.967 125.836 1 40.561  ? 81 B 1 c
ATOM 2675 H HA   . LYS Bxp B 81 ? 32.387  16.932 123.745 1 43.567  ? 81 B 1 c
ATOM 2676 H HB3  . LYS Bxp B 81 ? 33.692  15.109 124.997 1 43.189  ? 81 B 1 c
ATOM 2677 H HB2  . LYS Bxp B 81 ? 32.747  15.584 126.182 1 43.067  ? 81 B 1 c
ATOM 2678 H HG3  . LYS Bxp B 81 ? 33.5    17.83  125.71  1 45.049  ? 81 B 1 c
ATOM 2679 H HG2  . LYS Bxp B 81 ? 34.599  17.175 124.784 1 45.239  ? 81 B 1 c
ATOM 2680 H HD3  . LYS Bxp B 81 ? 34.435  16.825 127.598 1 46.613  ? 81 B 1 c
ATOM 2681 H HD2  . LYS Bxp B 81 ? 35.541  17.693 126.858 1 46.809  ? 81 B 1 c
ATOM 2682 H HE3  . LYS Bxp B 81 ? 36.476  15.776 125.953 1 47.015  ? 81 B 1 c
ATOM 2683 H HE2  . LYS Bxp B 81 ? 35.329  14.888 126.581 1 46.939  ? 81 B 1 c
ATOM 2684 H HZ1  . LYS Bxp B 81 ? 36.42   16.242 128.52  1 46.853  ? 81 B 1 c
ATOM 2685 H HZ2  . LYS Bxp B 81 ? 37.51   15.603 127.755 1 46.856  ? 81 B 1 c
ATOM 2686 H HZ3  . LYS Bxp B 81 ? 36.443  14.779 128.333 1 46.81   ? 81 B 1 c
ATOM 2687 N N    . LYS Bxp B 82 ? 31.148  13.949 124     1 45.857  ? 82 B 1 .
ATOM 2688 C CA   . LYS Bxp B 82 ? 30.787  12.781 123.215 1 44.312  ? 82 B 1 .
ATOM 2689 C C    . LYS Bxp B 82 ? 29.827  13.258 122.141 1 40.579  ? 82 B 1 .
ATOM 2690 O O    . LYS Bxp B 82 ? 30.137  13.207 120.961 1 45.577  ? 82 B 1 .
ATOM 2691 C CB   . LYS Bxp B 82 ? 30.107  11.653 123.994 1 50.88   ? 82 B 1 .
ATOM 2692 C CG   . LYS Bxp B 82 ? 30.748  11.252 125.319 1 64.063  ? 82 B 1 .
ATOM 2693 C CD   . LYS Bxp B 82 ? 29.905  10.204 126.047 1 76.561  ? 82 B 1 .
ATOM 2694 C CE   . LYS Bxp B 82 ? 30.144  10.072 127.53  1 84.474  ? 82 B 1 .
ATOM 2695 N NZ   . LYS Bxp B 82 ? 31.553  9.865  127.88  1 88.762  ? 82 B 1 .
ATOM 2696 H H    . LYS Bxp B 82 ? 30.902  13.989 124.88  1 46.159  ? 82 B 1 c
ATOM 2697 H HA   . LYS Bxp B 82 ? 31.605  12.429 122.781 1 45.065  ? 82 B 1 c
ATOM 2698 H HB3  . LYS Bxp B 82 ? 30.079  10.859 123.418 1 51.957  ? 82 B 1 c
ATOM 2699 H HB2  . LYS Bxp B 82 ? 29.18   11.915 124.174 1 51.841  ? 82 B 1 c
ATOM 2700 H HG3  . LYS Bxp B 82 ? 30.839  12.044 125.885 1 62.745  ? 82 B 1 c
ATOM 2701 H HG2  . LYS Bxp B 82 ? 31.644  10.889 125.145 1 63.176  ? 82 B 1 c
ATOM 2702 H HD3  . LYS Bxp B 82 ? 30.071  9.332  125.626 1 75.13   ? 82 B 1 c
ATOM 2703 H HD2  . LYS Bxp B 82 ? 28.958  10.416 125.902 1 74.84   ? 82 B 1 c
ATOM 2704 H HE3  . LYS Bxp B 82 ? 29.625  9.321  127.869 1 83.577  ? 82 B 1 c
ATOM 2705 H HE2  . LYS Bxp B 82 ? 29.827  10.878 127.976 1 83.578  ? 82 B 1 c
ATOM 2706 H HZ1  . LYS Bxp B 82 ? 31.996  10.655 127.849 1 87.277  ? 82 B 1 c
ATOM 2707 H HZ2  . LYS Bxp B 82 ? 31.935  9.287  127.296 1 87.322  ? 82 B 1 c
ATOM 2708 H HZ3  . LYS Bxp B 82 ? 31.613  9.524  128.717 1 87.374  ? 82 B 1 c
ATOM 2709 N N    . LYS Bxp B 83 ? 28.734  13.858 122.601 1 37.262  ? 83 B 1 .
ATOM 2710 C CA   . LYS Bxp B 83 ? 27.603  14.228 121.771 1 36.372  ? 83 B 1 .
ATOM 2711 C C    . LYS Bxp B 83 ? 27.986  15.157 120.615 1 32.958  ? 83 B 1 .
ATOM 2712 O O    . LYS Bxp B 83 ? 27.245  15.259 119.64  1 34.726  ? 83 B 1 .
ATOM 2713 C CB   . LYS Bxp B 83 ? 26.565  14.898 122.685 1 38.5    ? 83 B 1 .
ATOM 2714 C CG   . LYS Bxp B 83 ? 25.247  15.26  121.995 1 40.403  ? 83 B 1 .
ATOM 2715 C CD   . LYS Bxp B 83 ? 24.148  15.835 122.887 1 42.822  ? 83 B 1 .
ATOM 2716 C CE   . LYS Bxp B 83 ? 22.881  16.122 122.129 1 43.102  ? 83 B 1 .
ATOM 2717 N NZ   . LYS Bxp B 83 ? 21.872  16.787 122.947 1 43.241  ? 83 B 1 .
ATOM 2718 H H    . LYS Bxp B 83 ? 28.69   14.05  123.493 1 38.072  ? 83 B 1 c
ATOM 2719 H HA   . LYS Bxp B 83 ? 27.21   13.4   121.395 1 36.265  ? 83 B 1 c
ATOM 2720 H HB3  . LYS Bxp B 83 ? 26.953  15.717 123.055 1 38.411  ? 83 B 1 c
ATOM 2721 H HB2  . LYS Bxp B 83 ? 26.368  14.296 123.433 1 38.4    ? 83 B 1 c
ATOM 2722 H HG3  . LYS Bxp B 83 ? 24.901  14.453 121.557 1 40.479  ? 83 B 1 c
ATOM 2723 H HG2  . LYS Bxp B 83 ? 25.441  15.913 121.289 1 40.418  ? 83 B 1 c
ATOM 2724 H HD3  . LYS Bxp B 83 ? 24.47   16.665 123.3   1 42.208  ? 83 B 1 c
ATOM 2725 H HD2  . LYS Bxp B 83 ? 23.953  15.195 123.606 1 42.303  ? 83 B 1 c
ATOM 2726 H HE3  . LYS Bxp B 83 ? 22.511  15.283 121.801 1 43.009  ? 83 B 1 c
ATOM 2727 H HE2  . LYS Bxp B 83 ? 23.081  16.678 121.356 1 42.742  ? 83 B 1 c
ATOM 2728 H HZ1  . LYS Bxp B 83 ? 21.86   17.673 122.756 1 43.12   ? 83 B 1 c
ATOM 2729 H HZ2  . LYS Bxp B 83 ? 22.059  16.675 123.827 1 43.178  ? 83 B 1 c
ATOM 2730 H HZ3  . LYS Bxp B 83 ? 21.056  16.435 122.771 1 43.178  ? 83 B 1 c
ATOM 2731 N N    . TYR Bxp B 84 ? 29.084  15.9   120.729 1 29.566  ? 84 B 1 .
ATOM 2732 C CA   . TYR Bxp B 84 ? 29.374  16.892 119.712 1 29.377  ? 84 B 1 .
ATOM 2733 C C    . TYR Bxp B 84 ? 30.826  16.811 119.273 1 31.2    ? 84 B 1 .
ATOM 2734 O O    . TYR Bxp B 84 ? 31.141  17.38  118.236 1 33.648  ? 84 B 1 .
ATOM 2735 C CB   . TYR Bxp B 84 ? 29.032  18.303 120.206 1 29.513  ? 84 B 1 .
ATOM 2736 C CG   . TYR Bxp B 84 ? 27.564  18.53  120.563 1 27.653  ? 84 B 1 .
ATOM 2737 C CD1  . TYR Bxp B 84 ? 26.588  18.613 119.586 1 26.872  ? 84 B 1 .
ATOM 2738 C CD2  . TYR Bxp B 84 ? 27.141  18.641 121.878 1 26.26   ? 84 B 1 .
ATOM 2739 C CE1  . TYR Bxp B 84 ? 25.254  18.822 119.902 1 25.154  ? 84 B 1 .
ATOM 2740 C CE2  . TYR Bxp B 84 ? 25.807  18.849 122.202 1 24.155  ? 84 B 1 .
ATOM 2741 C CZ   . TYR Bxp B 84 ? 24.845  18.927 121.216 1 22.946  ? 84 B 1 .
ATOM 2742 O OH   . TYR Bxp B 84 ? 23.517  19.147 121.497 1 20.404  ? 84 B 1 .
ATOM 2743 H H    . TYR Bxp B 84 ? 29.621  15.831 121.464 1 30.483  ? 84 B 1 c
ATOM 2744 H HA   . TYR Bxp B 84 ? 28.807  16.701 118.92  1 29.818  ? 84 B 1 c
ATOM 2745 H HB3  . TYR Bxp B 84 ? 29.291  18.946 119.509 1 29.073  ? 84 B 1 c
ATOM 2746 H HB2  . TYR Bxp B 84 ? 29.579  18.49  121     1 29.122  ? 84 B 1 c
ATOM 2747 H HD1  . TYR Bxp B 84 ? 26.837  18.539 118.679 1 26.652  ? 84 B 1 c
ATOM 2748 H HD2  . TYR Bxp B 84 ? 27.778  18.587 122.572 1 26.118  ? 84 B 1 c
ATOM 2749 H HE1  . TYR Bxp B 84 ? 24.615  18.879 119.211 1 25      ? 84 B 1 c
ATOM 2750 H HE2  . TYR Bxp B 84 ? 25.553  18.926 123.105 1 24.458  ? 84 B 1 c
ATOM 2751 H HH   . TYR Bxp B 84 ? 23.215  19.148 120.92  0 26.94   ? 84 B 1 c
ATOM 2752 N N    . GLY Bxp B 85 ? 31.687  16.148 120.061 1 33.481  ? 85 B 1 .
ATOM 2753 C CA   . GLY Bxp B 85 ? 33.065  15.882 119.672 1 35.393  ? 85 B 1 .
ATOM 2754 C C    . GLY Bxp B 85 ? 33.936  17.129 119.797 1 38.336  ? 85 B 1 .
ATOM 2755 O O    . GLY Bxp B 85 ? 33.429  18.241 119.695 1 34.951  ? 85 B 1 .
ATOM 2756 H H    . GLY Bxp B 85 ? 31.409  15.86  120.88  1 33.319  ? 85 B 1 c
ATOM 2757 H HA3  . GLY Bxp B 85 ? 33.08   15.564 118.739 1 35.55   ? 85 B 1 c
ATOM 2758 H HA2  . GLY Bxp B 85 ? 33.431  15.166 120.241 1 35.697  ? 85 B 1 c
ATOM 2759 N N    . ILE Bxp B 86 ? 35.251  16.925 120.002 1 44.668  ? 86 B 1 .
ATOM 2760 C CA   . ILE Bxp B 86 ? 36.204  18.029 120.083 1 48.275  ? 86 B 1 .
ATOM 2761 C C    . ILE Bxp B 86 ? 37.199  17.91  118.921 1 42.321  ? 86 B 1 .
ATOM 2762 O O    . ILE Bxp B 86 ? 37.38   18.951 118.21  1 38.523  ? 86 B 1 .
ATOM 2763 C CB   . ILE Bxp B 86 ? 36.969  18.092 121.425 1 53.274  ? 86 B 1 .
ATOM 2764 C CG1  . ILE Bxp B 86 ? 36.041  18.08  122.657 1 54.389  ? 86 B 1 .
ATOM 2765 C CG2  . ILE Bxp B 86 ? 37.893  19.313 121.441 1 54.688  ? 86 B 1 .
ATOM 2766 C CD1  . ILE Bxp B 86 ? 36.759  18.127 124     1 52.108  ? 86 B 1 .
ATOM 2767 O OXT  . ILE Bxp B 86 ? 37.787  16.804 118.811 1 35.681  ? 86 B 1 .
ATOM 2768 H H    . ILE Bxp B 86 ? 35.562  16.07  120.092 1 43.688  ? 86 B 1 c
ATOM 2769 H HA   . ILE Bxp B 86 ? 35.712  18.866 119.978 1 47.092  ? 86 B 1 c
ATOM 2770 H HB   . ILE Bxp B 86 ? 37.533  17.295 121.477 1 52.769  ? 86 B 1 c
ATOM 2771 H HG12 . ILE Bxp B 86 ? 35.493  17.27  122.626 1 53.494  ? 86 B 1 c
ATOM 2772 H HG13 . ILE Bxp B 86 ? 35.437  18.849 122.6   1 53.584  ? 86 B 1 c
ATOM 2773 H HG21 . ILE Bxp B 86 ? 38.813  19.023 121.56  1 54.166  ? 86 B 1 c
ATOM 2774 H HG22 . ILE Bxp B 86 ? 37.645  19.901 122.172 1 54.106  ? 86 B 1 c
ATOM 2775 H HG23 . ILE Bxp B 86 ? 37.815  19.798 120.603 1 53.898  ? 86 B 1 c
ATOM 2776 H HD11 . ILE Bxp B 86 ? 36.829  17.223 124.357 1 52.643  ? 86 B 1 c
ATOM 2777 H HD12 . ILE Bxp B 86 ? 36.249  18.682 124.62  1 52.651  ? 86 B 1 c
ATOM 2778 H HD13 . ILE Bxp B 86 ? 37.654  18.5   123.896 1 52.741  ? 86 B 1 c
ATOM 2779 N N    . SER Cxp C 1  ? 5.404   54.484 138.607 1 95.962  ? 1  C 1 .
ATOM 2780 C CA   . SER Cxp C 1  ? 5.854   53.562 139.686 1 87.898  ? 1  C 1 .
ATOM 2781 C C    . SER Cxp C 1  ? 6.237   52.206 139.089 1 74.276  ? 1  C 1 .
ATOM 2782 O O    . SER Cxp C 1  ? 5.923   51.146 139.623 1 75.475  ? 1  C 1 .
ATOM 2783 C CB   . SER Cxp C 1  ? 4.791   53.472 140.771 1 91.655  ? 1  C 1 .
ATOM 2784 O OG   . SER Cxp C 1  ? 3.466   53.651 140.281 1 99.129  ? 1  C 1 .
ATOM 2785 H H    . SER Cxp C 1  ? 4.887   55.135 138.956 1 93.276  ? 1  C 1 c
ATOM 2786 H H2   . SER Cxp C 1  ? 4.927   54.032 137.989 1 93.062  ? 1  C 1 c
ATOM 2787 H H3   . SER Cxp C 1  ? 6.119   54.864 138.209 1 93.122  ? 1  C 1 c
ATOM 2788 H HA   . SER Cxp C 1  ? 6.67    53.952 140.092 1 87.319  ? 1  C 1 c
ATOM 2789 H HB3  . SER Cxp C 1  ? 4.972   54.154 141.446 1 92.463  ? 1  C 1 c
ATOM 2790 H HB2  . SER Cxp C 1  ? 4.853   52.603 141.21  1 92.279  ? 1  C 1 c
ATOM 2791 H HG   . SER Cxp C 1  ? 2.611   53.729 140.622 0 47.01   ? 1  C 1 c
ATOM 2792 N N    . GLN Cxp C 2  ? 6.953   52.248 137.968 1 67.504  ? 2  C 1 .
ATOM 2793 C CA   . GLN Cxp C 2  ? 7.197   51.053 137.181 1 67.594  ? 2  C 1 .
ATOM 2794 C C    . GLN Cxp C 2  ? 7.776   49.948 138.06  1 65.936  ? 2  C 1 .
ATOM 2795 O O    . GLN Cxp C 2  ? 7.298   48.814 138.016 1 71.801  ? 2  C 1 .
ATOM 2796 C CB   . GLN Cxp C 2  ? 8.138   51.394 136.031 1 71.195  ? 2  C 1 .
ATOM 2797 C CG   . GLN Cxp C 2  ? 8.279   50.277 135.004 1 75.039  ? 2  C 1 .
ATOM 2798 C CD   . GLN Cxp C 2  ? 6.98    49.876 134.332 1 71.565  ? 2  C 1 .
ATOM 2799 O OE1  . GLN Cxp C 2  ? 6.84    48.745 133.859 1 67.991  ? 2  C 1 .
ATOM 2800 N NE2  . GLN Cxp C 2  ? 6.005   50.775 134.302 1 73.432  ? 2  C 1 .
ATOM 2801 H H    . GLN Cxp C 2  ? 7.313   53.041 137.69  1 69.549  ? 2  C 1 c
ATOM 2802 H HA   . GLN Cxp C 2  ? 6.331   50.743 136.817 1 67.975  ? 2  C 1 c
ATOM 2803 H HB3  . GLN Cxp C 2  ? 9.022   51.6   136.399 1 71.205  ? 2  C 1 c
ATOM 2804 H HB2  . GLN Cxp C 2  ? 7.808   52.2   135.581 1 71.205  ? 2  C 1 c
ATOM 2805 H HG3  . GLN Cxp C 2  ? 8.666   49.491 135.439 1 73.212  ? 2  C 1 c
ATOM 2806 H HG2  . GLN Cxp C 2  ? 8.907   50.564 134.307 1 73.318  ? 2  C 1 c
ATOM 2807 H HE21 . GLN Cxp C 2  ? 5.216   50.586 134.661 1 72.853  ? 2  C 1 c
ATOM 2808 H HE22 . GLN Cxp C 2  ? 6.143   51.565 133.921 1 72.853  ? 2  C 1 c
ATOM 2809 N N    . ALA Cxp C 3  ? 8.791   50.307 138.857 1 58.21   ? 3  C 1 .
ATOM 2810 C CA   . ALA Cxp C 3  ? 9.433   49.402 139.798 1 51.748  ? 3  C 1 .
ATOM 2811 C C    . ALA Cxp C 3  ? 8.396   48.626 140.598 1 45.19   ? 3  C 1 .
ATOM 2812 O O    . ALA Cxp C 3  ? 8.212   47.422 140.433 1 35.753  ? 3  C 1 .
ATOM 2813 C CB   . ALA Cxp C 3  ? 10.313  50.21  140.722 1 54.49   ? 3  C 1 .
ATOM 2814 H H    . ALA Cxp C 3  ? 9.105   51.164 138.8   1 58.434  ? 3  C 1 c
ATOM 2815 H HA   . ALA Cxp C 3  ? 9.992   48.753 139.286 1 52.134  ? 3  C 1 c
ATOM 2816 H HB3  . ALA Cxp C 3  ? 10.493  49.702 141.531 1 53.614  ? 3  C 1 c
ATOM 2817 H HB2  . ALA Cxp C 3  ? 9.867   51.041 140.958 1 53.683  ? 3  C 1 c
ATOM 2818 H HB1  . ALA Cxp C 3  ? 11.153  50.413 140.278 1 53.656  ? 3  C 1 c
ATOM 2819 N N    . GLU Cxp C 4  ? 7.695   49.377 141.448 1 49.965  ? 4  C 1 .
ATOM 2820 C CA   . GLU Cxp C 4  ? 6.714   48.83  142.376 1 56.033  ? 4  C 1 .
ATOM 2821 C C    . GLU Cxp C 4  ? 5.75    47.888 141.654 1 51.28   ? 4  C 1 .
ATOM 2822 O O    . GLU Cxp C 4  ? 5.489   46.778 142.12  1 54.132  ? 4  C 1 .
ATOM 2823 C CB   . GLU Cxp C 4  ? 5.973   49.983 143.053 1 54.695  ? 4  C 1 .
ATOM 2824 C CG   . GLU Cxp C 4  ? 6.905   51.117 143.471 1 52.323  ? 4  C 1 .
ATOM 2825 C CD   . GLU Cxp C 4  ? 6.22    52.094 144.39  1 51.167  ? 4  C 1 .
ATOM 2826 O OE1  . GLU Cxp C 4  ? 4.97    52.07  144.397 1 47.168  ? 4  C 1 .
ATOM 2827 O OE2  . GLU Cxp C 4  ? 6.93    52.851 145.084 1 50.424  ? 4  C 1 .
ATOM 2828 H H    . GLU Cxp C 4  ? 7.815   50.281 141.424 1 50.242  ? 4  C 1 c
ATOM 2829 H HA   . GLU Cxp C 4  ? 7.199   48.313 143.069 1 53.676  ? 4  C 1 c
ATOM 2830 H HB3  . GLU Cxp C 4  ? 5.506   49.636 143.843 1 54.373  ? 4  C 1 c
ATOM 2831 H HB2  . GLU Cxp C 4  ? 5.297   50.332 142.435 1 54.375  ? 4  C 1 c
ATOM 2832 H HG3  . GLU Cxp C 4  ? 7.211   51.601 142.676 1 52.538  ? 4  C 1 c
ATOM 2833 H HG2  . GLU Cxp C 4  ? 7.689   50.745 143.928 1 52.569  ? 4  C 1 c
ATOM 2834 N N    . PHE Cxp C 5  ? 5.248   48.347 140.506 1 44.863  ? 5  C 1 .
ATOM 2835 C CA   . PHE Cxp C 5  ? 4.339   47.563 139.694 1 45.36   ? 5  C 1 .
ATOM 2836 C C    . PHE Cxp C 5  ? 5.023   46.286 139.196 1 46.222  ? 5  C 1 .
ATOM 2837 O O    . PHE Cxp C 5  ? 4.463   45.196 139.285 1 43.469  ? 5  C 1 .
ATOM 2838 C CB   . PHE Cxp C 5  ? 3.813   48.358 138.488 1 47.277  ? 5  C 1 .
ATOM 2839 C CG   . PHE Cxp C 5  ? 2.846   47.556 137.615 1 41.563  ? 5  C 1 .
ATOM 2840 C CD1  . PHE Cxp C 5  ? 3.348   46.684 136.651 1 35.089  ? 5  C 1 .
ATOM 2841 C CD2  . PHE Cxp C 5  ? 1.454   47.626 137.8   1 37.673  ? 5  C 1 .
ATOM 2842 C CE1  . PHE Cxp C 5  ? 2.486   45.927 135.882 1 33.709  ? 5  C 1 .
ATOM 2843 C CE2  . PHE Cxp C 5  ? 0.6     46.856 137.025 1 35.648  ? 5  C 1 .
ATOM 2844 C CZ   . PHE Cxp C 5  ? 1.118   46.012 136.066 1 34.03   ? 5  C 1 .
ATOM 2845 H H    . PHE Cxp C 5  ? 5.476   49.185 140.222 1 46.519  ? 5  C 1 c
ATOM 2846 H HA   . PHE Cxp C 5  ? 3.563   47.302 140.259 1 45.761  ? 5  C 1 c
ATOM 2847 H HB3  . PHE Cxp C 5  ? 4.578   48.643 137.941 1 45.487  ? 5  C 1 c
ATOM 2848 H HB2  . PHE Cxp C 5  ? 3.355   49.163 138.818 1 45.487  ? 5  C 1 c
ATOM 2849 H HD1  . PHE Cxp C 5  ? 4.28    46.617 136.519 1 36.236  ? 5  C 1 c
ATOM 2850 H HD2  . PHE Cxp C 5  ? 1.101   48.197 138.462 1 38.149  ? 5  C 1 c
ATOM 2851 H HE1  . PHE Cxp C 5  ? 2.834   45.35  135.221 1 34.197  ? 5  C 1 c
ATOM 2852 H HE2  . PHE Cxp C 5  ? -0.334  46.919 137.146 1 35.754  ? 5  C 1 c
ATOM 2853 H HZ   . PHE Cxp C 5  ? 0.538   45.499 135.528 1 34.315  ? 5  C 1 c
ATOM 2854 N N    . ASP Cxp C 6  ? 6.199   46.436 138.587 1 45.951  ? 6  C 1 .
ATOM 2855 C CA   . ASP Cxp C 6  ? 6.882   45.297 138.006 1 48.135  ? 6  C 1 .
ATOM 2856 C C    . ASP Cxp C 6  ? 7.183   44.285 139.096 1 44.703  ? 6  C 1 .
ATOM 2857 O O    . ASP Cxp C 6  ? 7.339   43.099 138.824 1 43.131  ? 6  C 1 .
ATOM 2858 C CB   . ASP Cxp C 6  ? 8.174   45.719 137.329 1 54.68   ? 6  C 1 .
ATOM 2859 C CG   . ASP Cxp C 6  ? 7.998   46.242 135.917 1 57.076  ? 6  C 1 .
ATOM 2860 O OD1  . ASP Cxp C 6  ? 7.734   45.392 135.05  1 57.792  ? 6  C 1 .
ATOM 2861 O OD2  . ASP Cxp C 6  ? 8.091   47.474 135.725 1 62.451  ? 6  C 1 .
ATOM 2862 H H    . ASP Cxp C 6  ? 6.581   47.264 138.529 1 46.586  ? 6  C 1 c
ATOM 2863 H HA   . ASP Cxp C 6  ? 6.29    44.883 137.338 1 48.193  ? 6  C 1 c
ATOM 2864 H HB3  . ASP Cxp C 6  ? 8.781   44.949 137.291 1 53.586  ? 6  C 1 c
ATOM 2865 H HB2  . ASP Cxp C 6  ? 8.606   46.416 137.866 1 53.628  ? 6  C 1 c
ATOM 2866 N N    . LYS Cxp C 7  ? 7.336   44.8   140.314 1 44.43   ? 7  C 1 .
ATOM 2867 C CA   . LYS Cxp C 7  ? 7.714   43.975 141.439 1 48.725  ? 7  C 1 .
ATOM 2868 C C    . LYS Cxp C 7  ? 6.477   43.265 141.968 1 51.492  ? 7  C 1 .
ATOM 2869 O O    . LYS Cxp C 7  ? 6.51    42.069 142.235 1 49.72   ? 7  C 1 .
ATOM 2870 C CB   . LYS Cxp C 7  ? 8.323   44.879 142.51  1 52.343  ? 7  C 1 .
ATOM 2871 C CG   . LYS Cxp C 7  ? 8.45    44.202 143.848 1 59.172  ? 7  C 1 .
ATOM 2872 C CD   . LYS Cxp C 7  ? 8.709   45.179 144.985 1 69.567  ? 7  C 1 .
ATOM 2873 C CE   . LYS Cxp C 7  ? 8.846   44.483 146.302 1 78.635  ? 7  C 1 .
ATOM 2874 N NZ   . LYS Cxp C 7  ? 8.769   45.425 147.421 1 88.243  ? 7  C 1 .
ATOM 2875 H H    . LYS Cxp C 7  ? 7.227   45.698 140.445 1 45.593  ? 7  C 1 c
ATOM 2876 H HA   . LYS Cxp C 7  ? 8.38    43.304 141.141 1 48.906  ? 7  C 1 c
ATOM 2877 H HB3  . LYS Cxp C 7  ? 7.765   45.678 142.615 1 52.884  ? 7  C 1 c
ATOM 2878 H HB2  . LYS Cxp C 7  ? 9.214   45.168 142.218 1 52.967  ? 7  C 1 c
ATOM 2879 H HG3  . LYS Cxp C 7  ? 9.187   43.554 143.805 1 59.651  ? 7  C 1 c
ATOM 2880 H HG2  . LYS Cxp C 7  ? 7.623   43.708 144.036 1 59.57   ? 7  C 1 c
ATOM 2881 H HD3  . LYS Cxp C 7  ? 7.967   45.82  145.035 1 69.086  ? 7  C 1 c
ATOM 2882 H HD2  . LYS Cxp C 7  ? 9.534   45.679 144.798 1 69.01   ? 7  C 1 c
ATOM 2883 H HE3  . LYS Cxp C 7  ? 9.701   44.018 146.337 1 78.551  ? 7  C 1 c
ATOM 2884 H HE2  . LYS Cxp C 7  ? 8.137   43.821 146.395 1 78.452  ? 7  C 1 c
ATOM 2885 H HZ1  . LYS Cxp C 7  ? 7.956   45.825 147.43  1 85.047  ? 7  C 1 c
ATOM 2886 H HZ2  . LYS Cxp C 7  ? 9.411   46.058 147.334 1 85.138  ? 7  C 1 c
ATOM 2887 H HZ3  . LYS Cxp C 7  ? 8.891   44.983 148.203 1 85.138  ? 7  C 1 c
ATOM 2888 N N    . ALA Cxp C 8  ? 5.397   44.036 142.139 1 52.234  ? 8  C 1 .
ATOM 2889 C CA   . ALA Cxp C 8  ? 4.132   43.522 142.639 1 42.258  ? 8  C 1 .
ATOM 2890 C C    . ALA Cxp C 8  ? 3.691   42.307 141.831 1 37.583  ? 8  C 1 .
ATOM 2891 O O    . ALA Cxp C 8  ? 3.462   41.263 142.414 1 39.127  ? 8  C 1 .
ATOM 2892 C CB   . ALA Cxp C 8  ? 3.101   44.615 142.61  1 42.158  ? 8  C 1 .
ATOM 2893 H H    . ALA Cxp C 8  ? 5.455   44.926 141.941 1 49.511  ? 8  C 1 c
ATOM 2894 H HA   . ALA Cxp C 8  ? 4.269   43.232 143.584 1 43.068  ? 8  C 1 c
ATOM 2895 H HB3  . ALA Cxp C 8  ? 2.259   44.279 142.959 1 42.188  ? 8  C 1 c
ATOM 2896 H HB2  . ALA Cxp C 8  ? 2.972   44.917 141.695 1 42.188  ? 8  C 1 c
ATOM 2897 H HB1  . ALA Cxp C 8  ? 3.4     45.361 143.155 1 42.188  ? 8  C 1 c
ATOM 2898 N N    . ALA Cxp C 9  ? 3.626   42.42  140.5   1 33.994  ? 9  C 1 .
ATOM 2899 C CA   . ALA Cxp C 9  ? 3.326   41.281 139.635 1 34.983  ? 9  C 1 .
ATOM 2900 C C    . ALA Cxp C 9  ? 4.229   40.081 139.934 1 37.295  ? 9  C 1 .
ATOM 2901 O O    . ALA Cxp C 9  ? 3.8     38.923 139.927 1 40.171  ? 9  C 1 .
ATOM 2902 C CB   . ALA Cxp C 9  ? 3.475   41.685 138.195 1 35.217  ? 9  C 1 .
ATOM 2903 H H    . ALA Cxp C 9  ? 3.773   43.236 140.115 1 35.172  ? 9  C 1 c
ATOM 2904 H HA   . ALA Cxp C 9  ? 2.382   41.008 139.8   1 35.129  ? 9  C 1 c
ATOM 2905 H HB3  . ALA Cxp C 9  ? 3.253   40.933 137.62  1 35.147  ? 9  C 1 c
ATOM 2906 H HB2  . ALA Cxp C 9  ? 4.392   41.959 138.025 1 35.147  ? 9  C 1 c
ATOM 2907 H HB1  . ALA Cxp C 9  ? 2.877   42.426 137.999 1 35.147  ? 9  C 1 c
ATOM 2908 N N    . GLU Cxp C 10 ? 5.498   40.365 140.229 1 38.406  ? 10 C 1 .
ATOM 2909 C CA   . GLU Cxp C 10 ? 6.433   39.329 140.648 1 36.836  ? 10 C 1 .
ATOM 2910 C C    . GLU Cxp C 10 ? 5.946   38.633 141.919 1 30.912  ? 10 C 1 .
ATOM 2911 O O    . GLU Cxp C 10 ? 5.852   37.418 141.953 1 26.586  ? 10 C 1 .
ATOM 2912 C CB   . GLU Cxp C 10 ? 7.85    39.89  140.811 1 41.485  ? 10 C 1 .
ATOM 2913 C CG   . GLU Cxp C 10 ? 8.687   39.812 139.537 1 42.217  ? 10 C 1 .
ATOM 2914 C CD   . GLU Cxp C 10 ? 8.604   38.41  138.978 1 43.575  ? 10 C 1 .
ATOM 2915 O OE1  . GLU Cxp C 10 ? 8.84    37.481 139.789 1 42.753  ? 10 C 1 .
ATOM 2916 O OE2  . GLU Cxp C 10 ? 8.256   38.267 137.776 1 46.775  ? 10 C 1 .
ATOM 2917 H H    . GLU Cxp C 10 ? 5.797   41.224 140.149 1 37.844  ? 10 C 1 c
ATOM 2918 H HA   . GLU Cxp C 10 ? 6.457   38.65  139.931 1 36.851  ? 10 C 1 c
ATOM 2919 H HB3  . GLU Cxp C 10 ? 8.308   39.398 141.524 1 40.505  ? 10 C 1 c
ATOM 2920 H HB2  . GLU Cxp C 10 ? 7.796   40.826 141.084 1 40.613  ? 10 C 1 c
ATOM 2921 H HG3  . GLU Cxp C 10 ? 9.623   40.027 139.738 1 42.362  ? 10 C 1 c
ATOM 2922 H HG2  . GLU Cxp C 10 ? 8.347   40.449 138.873 1 42.383  ? 10 C 1 c
ATOM 2923 N N    . GLU Cxp C 11 ? 5.588   39.42  142.937 1 30.894  ? 11 C 1 .
ATOM 2924 C CA   . GLU Cxp C 11 ? 5.141   38.902 144.224 1 34.183  ? 11 C 1 .
ATOM 2925 C C    . GLU Cxp C 11 ? 3.935   37.972 144.071 1 33.741  ? 11 C 1 .
ATOM 2926 O O    . GLU Cxp C 11 ? 3.96    36.847 144.573 1 35.616  ? 11 C 1 .
ATOM 2927 C CB   . GLU Cxp C 11 ? 4.801   40.023 145.21  1 37.708  ? 11 C 1 .
ATOM 2928 C CG   . GLU Cxp C 11 ? 5.952   40.996 145.482 1 39.515  ? 11 C 1 .
ATOM 2929 C CD   . GLU Cxp C 11 ? 5.936   41.737 146.817 1 40.657  ? 11 C 1 .
ATOM 2930 O OE1  . GLU Cxp C 11 ? 4.933   42.415 147.174 1 37.498  ? 11 C 1 .
ATOM 2931 O OE2  . GLU Cxp C 11 ? 6.971   41.636 147.513 1 40.133  ? 11 C 1 .
ATOM 2932 H H    . GLU Cxp C 11 ? 5.624   40.326 142.824 1 31.838  ? 11 C 1 c
ATOM 2933 H HA   . GLU Cxp C 11 ? 5.886   38.376 144.612 1 34.053  ? 11 C 1 c
ATOM 2934 H HB3  . GLU Cxp C 11 ? 4.528   39.62  146.06  1 37.253  ? 11 C 1 c
ATOM 2935 H HB2  . GLU Cxp C 11 ? 4.038   40.528 144.862 1 37.277  ? 11 C 1 c
ATOM 2936 H HG3  . GLU Cxp C 11 ? 5.965   41.666 144.766 1 39.344  ? 11 C 1 c
ATOM 2937 H HG2  . GLU Cxp C 11 ? 6.797   40.501 145.42  1 39.327  ? 11 C 1 c
ATOM 2938 N N    . VAL Cxp C 12 ? 2.916   38.431 143.329 1 33.307  ? 12 C 1 .
ATOM 2939 C CA   . VAL Cxp C 12 ? 1.624   37.762 143.24  1 33.212  ? 12 C 1 .
ATOM 2940 C C    . VAL Cxp C 12 ? 1.71    36.355 142.626 1 34.517  ? 12 C 1 .
ATOM 2941 O O    . VAL Cxp C 12 ? 0.743   35.59  142.684 1 30.947  ? 12 C 1 .
ATOM 2942 C CB   . VAL Cxp C 12 ? 0.674   38.679 142.451 1 32.5    ? 12 C 1 .
ATOM 2943 C CG1  . VAL Cxp C 12 ? 0.96    38.649 140.963 1 34.122  ? 12 C 1 .
ATOM 2944 C CG2  . VAL Cxp C 12 ? -0.782  38.334 142.696 1 32.678  ? 12 C 1 .
ATOM 2945 H H    . VAL Cxp C 12 ? 3.038   39.202 142.853 1 33.371  ? 12 C 1 c
ATOM 2946 H HA   . VAL Cxp C 12 ? 1.273   37.673 144.147 1 33.329  ? 12 C 1 c
ATOM 2947 H HB   . VAL Cxp C 12 ? 0.822   39.6   142.771 1 32.967  ? 12 C 1 c
ATOM 2948 H HG11 . VAL Cxp C 12 ? 0.425   37.956 140.54  1 33.638  ? 12 C 1 c
ATOM 2949 H HG12 . VAL Cxp C 12 ? 1.899   38.462 140.817 1 33.683  ? 12 C 1 c
ATOM 2950 H HG13 . VAL Cxp C 12 ? 0.738   39.511 140.572 1 33.653  ? 12 C 1 c
ATOM 2951 H HG21 . VAL Cxp C 12 ? -1.348  39.028 142.318 1 32.627  ? 12 C 1 c
ATOM 2952 H HG22 . VAL Cxp C 12 ? -0.945  38.27  143.652 1 32.631  ? 12 C 1 c
ATOM 2953 H HG23 . VAL Cxp C 12 ? -0.991  37.483 142.275 1 32.632  ? 12 C 1 c
ATOM 2954 N N    . LYS Cxp C 13 ? 2.884   35.977 142.099 1 36.556  ? 13 C 1 .
ATOM 2955 C CA   . LYS Cxp C 13 ? 3.117   34.595 141.703 1 37.255  ? 13 C 1 .
ATOM 2956 C C    . LYS Cxp C 13 ? 3.369   33.704 142.915 1 35.424  ? 13 C 1 .
ATOM 2957 O O    . LYS Cxp C 13 ? 3.668   32.537 142.75  1 37.068  ? 13 C 1 .
ATOM 2958 C CB   . LYS Cxp C 13 ? 4.349   34.469 140.802 1 39.223  ? 13 C 1 .
ATOM 2959 C CG   . LYS Cxp C 13 ? 4.388   35.492 139.694 1 44.281  ? 13 C 1 .
ATOM 2960 C CD   . LYS Cxp C 13 ? 5.78    35.935 139.253 1 44.444  ? 13 C 1 .
ATOM 2961 C CE   . LYS Cxp C 13 ? 6.446   34.968 138.34  1 41.383  ? 13 C 1 .
ATOM 2962 N NZ   . LYS Cxp C 13 ? 7.626   35.6   137.756 1 41.625  ? 13 C 1 .
ATOM 2963 H H    . LYS Cxp C 13 ? 3.552   36.59  141.987 1 36.276  ? 13 C 1 c
ATOM 2964 H HA   . LYS Cxp C 13 ? 2.32    34.264 141.216 1 37.071  ? 13 C 1 c
ATOM 2965 H HB3  . LYS Cxp C 13 ? 4.362   33.574 140.402 1 39.862  ? 13 C 1 c
ATOM 2966 H HB2  . LYS Cxp C 13 ? 5.157   34.567 141.349 1 39.891  ? 13 C 1 c
ATOM 2967 H HG3  . LYS Cxp C 13 ? 3.885   36.283 139.978 1 42.912  ? 13 C 1 c
ATOM 2968 H HG2  . LYS Cxp C 13 ? 3.92    35.117 138.918 1 42.937  ? 13 C 1 c
ATOM 2969 H HD3  . LYS Cxp C 13 ? 6.344   36.059 140.046 1 43.487  ? 13 C 1 c
ATOM 2970 H HD2  . LYS Cxp C 13 ? 5.705   36.802 138.8   1 43.563  ? 13 C 1 c
ATOM 2971 H HE3  . LYS Cxp C 13 ? 5.836   34.703 137.628 1 42.078  ? 13 C 1 c
ATOM 2972 H HE2  . LYS Cxp C 13 ? 6.715   34.173 138.833 1 42.114  ? 13 C 1 c
ATOM 2973 H HZ1  . LYS Cxp C 13 ? 8.239   35.756 138.403 1 41.57   ? 13 C 1 c
ATOM 2974 H HZ2  . LYS Cxp C 13 ? 7.4     36.381 137.356 1 41.593  ? 13 C 1 c
ATOM 2975 H HZ3  . LYS Cxp C 13 ? 7.988   35.048 137.136 1 41.562  ? 13 C 1 c
ATOM 2976 N N    . ASN Cxp C 14 ? 3.293   34.237 144.131 1 35.864  ? 14 C 1 .
ATOM 2977 C CA   . ASN Cxp C 14 ? 3.699   33.478 145.304 1 35.277  ? 14 C 1 .
ATOM 2978 C C    . ASN Cxp C 14 ? 2.624   33.463 146.385 1 37.225  ? 14 C 1 .
ATOM 2979 O O    . ASN Cxp C 14 ? 2.828   32.898 147.462 1 34.171  ? 14 C 1 .
ATOM 2980 C CB   . ASN Cxp C 14 ? 4.969   34.053 145.907 1 34.549  ? 14 C 1 .
ATOM 2981 C CG   . ASN Cxp C 14 ? 6.07    34.091 144.887 1 34.679  ? 14 C 1 .
ATOM 2982 O OD1  . ASN Cxp C 14 ? 6.247   33.133 144.137 1 39.445  ? 14 C 1 .
ATOM 2983 N ND2  . ASN Cxp C 14 ? 6.829   35.168 144.845 1 34.789  ? 14 C 1 .
ATOM 2984 H H    . ASN Cxp C 14 ? 3.022   35.102 144.238 1 35.699  ? 14 C 1 c
ATOM 2985 H HA   . ASN Cxp C 14 ? 3.887   32.551 145.035 1 35.629  ? 14 C 1 c
ATOM 2986 H HB3  . ASN Cxp C 14 ? 5.248   33.501 146.665 1 34.756  ? 14 C 1 c
ATOM 2987 H HB2  . ASN Cxp C 14 ? 4.795   34.958 146.233 1 34.762  ? 14 C 1 c
ATOM 2988 H HD21 . ASN Cxp C 14 ? 7.133   35.465 144.066 1 34.755  ? 14 C 1 c
ATOM 2989 H HD22 . ASN Cxp C 14 ? 7.034   35.595 145.595 1 34.754  ? 14 C 1 c
ATOM 2990 N N    . LEU Cxp C 15 ? 1.49    34.111 146.104 1 40.138  ? 15 C 1 .
ATOM 2991 C CA   . LEU Cxp C 15 ? 0.36    34.018 147.002 1 40.494  ? 15 C 1 .
ATOM 2992 C C    . LEU Cxp C 15 ? 0.193   32.556 147.401 1 42.915  ? 15 C 1 .
ATOM 2993 O O    . LEU Cxp C 15 ? 0.122   31.676 146.548 1 43.394  ? 15 C 1 .
ATOM 2994 C CB   . LEU Cxp C 15 ? -0.918  34.561 146.371 1 38.923  ? 15 C 1 .
ATOM 2995 C CG   . LEU Cxp C 15 ? -1.1    36.079 146.389 1 39.489  ? 15 C 1 .
ATOM 2996 C CD1  . LEU Cxp C 15 ? -2.543  36.297 146.002 1 42.55   ? 15 C 1 .
ATOM 2997 C CD2  . LEU Cxp C 15 ? -0.825  36.777 147.72  1 41.73   ? 15 C 1 .
ATOM 2998 H H    . LEU Cxp C 15 ? 1.416   34.617 145.347 1 39.397  ? 15 C 1 c
ATOM 2999 H HA   . LEU Cxp C 15 ? 0.57    34.544 147.813 1 40.638  ? 15 C 1 c
ATOM 3000 H HB3  . LEU Cxp C 15 ? -1.685  34.153 146.836 1 39.447  ? 15 C 1 c
ATOM 3001 H HB2  . LEU Cxp C 15 ? -0.948  34.257 145.435 1 39.427  ? 15 C 1 c
ATOM 3002 H HG   . LEU Cxp C 15 ? -0.519  36.477 145.69  1 40.345  ? 15 C 1 c
ATOM 3003 H HD11 . LEU Cxp C 15 ? -2.774  35.715 145.258 1 41.547  ? 15 C 1 c
ATOM 3004 H HD12 . LEU Cxp C 15 ? -2.672  37.223 145.738 1 41.528  ? 15 C 1 c
ATOM 3005 H HD13 . LEU Cxp C 15 ? -3.117  36.094 146.759 1 41.496  ? 15 C 1 c
ATOM 3006 H HD21 . LEU Cxp C 15 ? 0.133   36.804 147.881 1 41.023  ? 15 C 1 c
ATOM 3007 H HD22 . LEU Cxp C 15 ? -1.261  36.29  148.439 1 40.983  ? 15 C 1 c
ATOM 3008 H HD23 . LEU Cxp C 15 ? -1.171  37.684 147.686 1 40.96   ? 15 C 1 c
ATOM 3009 N N    . LYS Cxp C 16 ? 0.128   32.32  148.713 1 46.275  ? 16 C 1 .
ATOM 3010 C CA   . LYS Cxp C 16 ? 0.067   30.976 149.267 1 49.507  ? 16 C 1 .
ATOM 3011 C C    . LYS Cxp C 16 ? -1.264  30.258 149.001 1 45.229  ? 16 C 1 .
ATOM 3012 O O    . LYS Cxp C 16 ? -1.287  29.034 149.04  1 42.791  ? 16 C 1 .
ATOM 3013 C CB   . LYS Cxp C 16 ? 0.385   31.004 150.767 1 55.122  ? 16 C 1 .
ATOM 3014 C CG   . LYS Cxp C 16 ? 1.867   31.218 151.092 1 62.551  ? 16 C 1 .
ATOM 3015 C CD   . LYS Cxp C 16 ? 2.153   31.356 152.585 1 69.364  ? 16 C 1 .
ATOM 3016 C CE   . LYS Cxp C 16 ? 3.641   31.406 152.887 1 73.874  ? 16 C 1 .
ATOM 3017 N NZ   . LYS Cxp C 16 ? 4.052   31.462 154.304 1 76.268  ? 16 C 1 .
ATOM 3018 H H    . LYS Cxp C 16 ? 0.118   33.029 149.29  1 46.174  ? 16 C 1 c
ATOM 3019 H HA   . LYS Cxp C 16 ? 0.782   30.444 148.834 1 48.962  ? 16 C 1 c
ATOM 3020 H HB3  . LYS Cxp C 16 ? 0.1     30.155 151.166 1 55.239  ? 16 C 1 c
ATOM 3021 H HB2  . LYS Cxp C 16 ? -0.134  31.72  151.188 1 55.014  ? 16 C 1 c
ATOM 3022 H HG3  . LYS Cxp C 16 ? 2.178   32.025 150.629 1 61.977  ? 16 C 1 c
ATOM 3023 H HG2  . LYS Cxp C 16 ? 2.376   30.456 150.739 1 62.175  ? 16 C 1 c
ATOM 3024 H HD3  . LYS Cxp C 16 ? 1.755   30.594 153.06  1 68.736  ? 16 C 1 c
ATOM 3025 H HD2  . LYS Cxp C 16 ? 1.73    32.177 152.919 1 68.736  ? 16 C 1 c
ATOM 3026 H HE3  . LYS Cxp C 16 ? 4.013   32.175 152.431 1 72.47   ? 16 C 1 c
ATOM 3027 H HE2  . LYS Cxp C 16 ? 4.053   30.618 152.489 1 73.198  ? 16 C 1 c
ATOM 3028 H HZ1  . LYS Cxp C 16 ? 3.711   30.751 154.75  1 75.523  ? 16 C 1 c
ATOM 3029 H HZ2  . LYS Cxp C 16 ? 3.744   32.226 154.682 1 75.523  ? 16 C 1 c
ATOM 3030 H HZ3  . LYS Cxp C 16 ? 4.956   31.444 154.362 1 75.523  ? 16 C 1 c
ATOM 3031 N N    . THR Cxp C 17 ? -2.373  30.967 148.741 1 44.209  ? 17 C 1 .
ATOM 3032 C CA   . THR Cxp C 17 ? -3.634  30.283 148.454 1 43.04   ? 17 C 1 .
ATOM 3033 C C    . THR Cxp C 17 ? -4.427  31.006 147.365 1 43.151  ? 17 C 1 .
ATOM 3034 O O    . THR Cxp C 17 ? -4.69   32.212 147.48  1 40.573  ? 17 C 1 .
ATOM 3035 C CB   . THR Cxp C 17 ? -4.492  30.122 149.707 1 42.243  ? 17 C 1 .
ATOM 3036 O OG1  . THR Cxp C 17 ? -4.67   31.442 150.204 1 44.275  ? 17 C 1 .
ATOM 3037 C CG2  . THR Cxp C 17 ? -3.831  29.258 150.762 1 43.602  ? 17 C 1 .
ATOM 3038 H H    . THR Cxp C 17 ? -2.35   31.881 148.746 1 44.193  ? 17 C 1 c
ATOM 3039 H HA   . THR Cxp C 17 ? -3.417  29.384 148.124 1 43.125  ? 17 C 1 c
ATOM 3040 H HB   . THR Cxp C 17 ? -5.369  29.739 149.467 1 43.027  ? 17 C 1 c
ATOM 3041 H HG1  . THR Cxp C 17 ? -3.685  31.808 150.475 0 36.27   ? 17 C 1 c
ATOM 3042 H HG21 . THR Cxp C 17 ? -4.477  29.041 151.455 1 43.197  ? 17 C 1 c
ATOM 3043 H HG22 . THR Cxp C 17 ? -3.084  29.74  151.156 1 43.204  ? 17 C 1 c
ATOM 3044 H HG23 . THR Cxp C 17 ? -3.507  28.437 150.355 1 43.195  ? 17 C 1 c
ATOM 3045 N N    . LYS Cxp C 18 ? -4.804  30.211 146.342 1 41.689  ? 18 C 1 .
ATOM 3046 C CA   . LYS Cxp C 18 ? -5.81   30.558 145.356 1 40.113  ? 18 C 1 .
ATOM 3047 C C    . LYS Cxp C 18 ? -6.711  31.629 145.941 1 37.301  ? 18 C 1 .
ATOM 3048 O O    . LYS Cxp C 18 ? -7.438  31.402 146.899 1 40.953  ? 18 C 1 .
ATOM 3049 C CB   . LYS Cxp C 18 ? -6.777  29.428 144.989 1 47.32   ? 18 C 1 .
ATOM 3050 C CG   . LYS Cxp C 18 ? -7.914  29.899 144.083 1 60.397  ? 18 C 1 .
ATOM 3051 C CD   . LYS Cxp C 18 ? -9.11   28.96  143.927 1 73.335  ? 18 C 1 .
ATOM 3052 C CE   . LYS Cxp C 18 ? -9.967  29.269 142.73  1 81.466  ? 18 C 1 .
ATOM 3053 N NZ   . LYS Cxp C 18 ? -9.39   28.831 141.45  1 88.007  ? 18 C 1 .
ATOM 3054 H H    . LYS Cxp C 18 ? -4.395  29.397 146.259 1 41.687  ? 18 C 1 c
ATOM 3055 H HA   . LYS Cxp C 18 ? -5.359  30.895 144.544 1 40.876  ? 18 C 1 c
ATOM 3056 H HB3  . LYS Cxp C 18 ? -7.16   29.05  145.809 1 48.092  ? 18 C 1 c
ATOM 3057 H HB2  . LYS Cxp C 18 ? -6.281  28.717 144.53  1 48.179  ? 18 C 1 c
ATOM 3058 H HG3  . LYS Cxp C 18 ? -7.539  30.071 143.192 1 59.639  ? 18 C 1 c
ATOM 3059 H HG2  . LYS Cxp C 18 ? -8.242  30.756 144.423 1 58.914  ? 18 C 1 c
ATOM 3060 H HD3  . LYS Cxp C 18 ? -9.663  29.017 144.737 1 71.918  ? 18 C 1 c
ATOM 3061 H HD2  . LYS Cxp C 18 ? -8.781  28.038 143.854 1 71.987  ? 18 C 1 c
ATOM 3062 H HE3  . LYS Cxp C 18 ? -10.116 30.231 142.69  1 80.993  ? 18 C 1 c
ATOM 3063 H HE2  . LYS Cxp C 18 ? -10.834 28.841 142.843 1 80.993  ? 18 C 1 c
ATOM 3064 H HZ1  . LYS Cxp C 18 ? -9.043  27.999 141.534 1 85.754  ? 18 C 1 c
ATOM 3065 H HZ2  . LYS Cxp C 18 ? -8.733  29.402 141.199 1 85.896  ? 18 C 1 c
ATOM 3066 H HZ3  . LYS Cxp C 18 ? -10.034 28.821 140.812 1 85.896  ? 18 C 1 c
ATOM 3067 N N    . PRO Cxp C 19 ? -6.688  32.844 145.391 1 32.71   ? 19 C 1 .
ATOM 3068 C CA   . PRO Cxp C 19 ? -7.54   33.9   145.895 1 30.846  ? 19 C 1 .
ATOM 3069 C C    . PRO Cxp C 19 ? -8.965  33.735 145.416 1 29.021  ? 19 C 1 .
ATOM 3070 O O    . PRO Cxp C 19 ? -9.264  32.849 144.63  1 27.462  ? 19 C 1 .
ATOM 3071 C CB   . PRO Cxp C 19 ? -6.904  35.148 145.341 1 32.776  ? 19 C 1 .
ATOM 3072 C CG   . PRO Cxp C 19 ? -6.221  34.659 144.076 1 33.79   ? 19 C 1 .
ATOM 3073 C CD   . PRO Cxp C 19 ? -5.816  33.252 144.29  1 33.612  ? 19 C 1 .
ATOM 3074 H HA   . PRO Cxp C 19 ? -7.515  33.913 146.874 1 31.241  ? 19 C 1 c
ATOM 3075 H HB3  . PRO Cxp C 19 ? -6.254  35.519 145.968 1 32.464  ? 19 C 1 c
ATOM 3076 H HB2  . PRO Cxp C 19 ? -7.576  35.826 145.134 1 32.373  ? 19 C 1 c
ATOM 3077 H HG3  . PRO Cxp C 19 ? -5.436  35.207 143.883 1 33.584  ? 19 C 1 c
ATOM 3078 H HG2  . PRO Cxp C 19 ? -6.832  34.719 143.315 1 33.531  ? 19 C 1 c
ATOM 3079 H HD3  . PRO Cxp C 19 ? -5.979  32.71  143.494 1 33.528  ? 19 C 1 c
ATOM 3080 H HD2  . PRO Cxp C 19 ? -4.875  33.184 144.545 1 33.5    ? 19 C 1 c
ATOM 3081 N N    . ALA Cxp C 20 ? -9.826  34.599 145.926 1 30.626  ? 20 C 1 .
ATOM 3082 C CA   . ALA Cxp C 20 ? -11.219 34.594 145.533 1 32.717  ? 20 C 1 .
ATOM 3083 C C    . ALA Cxp C 20 ? -11.254 34.902 144.051 1 32.007  ? 20 C 1 .
ATOM 3084 O O    . ALA Cxp C 20 ? -10.215 35.203 143.466 1 31.953  ? 20 C 1 .
ATOM 3085 C CB   . ALA Cxp C 20 ? -12.003 35.622 146.331 1 35.906  ? 20 C 1 .
ATOM 3086 H H    . ALA Cxp C 20 ? -9.54   35.211 146.542 1 30.684  ? 20 C 1 c
ATOM 3087 H HA   . ALA Cxp C 20 ? -11.596 33.684 145.685 1 32.667  ? 20 C 1 c
ATOM 3088 H HB3  . ALA Cxp C 20 ? -12.896 35.283 146.51  1 34.819  ? 20 C 1 c
ATOM 3089 H HB2  . ALA Cxp C 20 ? -12.072 36.448 145.825 1 34.684  ? 20 C 1 c
ATOM 3090 H HB1  . ALA Cxp C 20 ? -11.553 35.798 147.174 1 34.594  ? 20 C 1 c
ATOM 3091 N N    . ASP Cxp C 21 ? -12.45  34.876 143.47  1 30.861  ? 21 C 1 .
ATOM 3092 C CA   . ASP Cxp C 21 ? -12.544 35.002 142.031 1 30.599  ? 21 C 1 .
ATOM 3093 C C    . ASP Cxp C 21 ? -12.581 36.473 141.645 1 28.571  ? 21 C 1 .
ATOM 3094 O O    . ASP Cxp C 21 ? -11.826 36.953 140.81  1 28.315  ? 21 C 1 .
ATOM 3095 C CB   . ASP Cxp C 21 ? -13.768 34.283 141.505 1 32.405  ? 21 C 1 .
ATOM 3096 C CG   . ASP Cxp C 21 ? -14.012 34.6   140.048 1 34.639  ? 21 C 1 .
ATOM 3097 O OD1  . ASP Cxp C 21 ? -13.147 34.202 139.256 1 37.078  ? 21 C 1 .
ATOM 3098 O OD2  . ASP Cxp C 21 ? -14.991 35.322 139.753 1 37.102  ? 21 C 1 .
ATOM 3099 H H    . ASP Cxp C 21 ? -13.21  34.777 143.968 1 31.125  ? 21 C 1 c
ATOM 3100 H HA   . ASP Cxp C 21 ? -11.75  34.587 141.625 1 30.607  ? 21 C 1 c
ATOM 3101 H HB3  . ASP Cxp C 21 ? -14.554 34.551 142.024 1 32.497  ? 21 C 1 c
ATOM 3102 H HB2  . ASP Cxp C 21 ? -13.645 33.315 141.602 1 32.482  ? 21 C 1 c
ATOM 3103 N N    . ASP Cxp C 22 ? -13.514 37.185 142.247 1 29.269  ? 22 C 1 .
ATOM 3104 C CA   . ASP Cxp C 22 ? -13.671 38.602 141.983 1 32.866  ? 22 C 1 .
ATOM 3105 C C    . ASP Cxp C 22 ? -12.325 39.316 142.117 1 30.863  ? 22 C 1 .
ATOM 3106 O O    . ASP Cxp C 22 ? -12.153 40.419 141.604 1 32.654  ? 22 C 1 .
ATOM 3107 C CB   . ASP Cxp C 22 ? -14.688 39.217 142.935 1 36.464  ? 22 C 1 .
ATOM 3108 C CG   . ASP Cxp C 22 ? -14.433 38.903 144.402 1 39.301  ? 22 C 1 .
ATOM 3109 O OD1  . ASP Cxp C 22 ? -13.305 39.121 144.811 1 41.041  ? 22 C 1 .
ATOM 3110 O OD2  . ASP Cxp C 22 ? -15.34  38.404 145.112 1 47.715  ? 22 C 1 .
ATOM 3111 H H    . ASP Cxp C 22 ? -14.085 36.777 142.833 1 29.987  ? 22 C 1 c
ATOM 3112 H HA   . ASP Cxp C 22 ? -13.997 38.712 141.061 1 32.378  ? 22 C 1 c
ATOM 3113 H HB3  . ASP Cxp C 22 ? -15.581 38.888 142.7   1 36.223  ? 22 C 1 c
ATOM 3114 H HB2  . ASP Cxp C 22 ? -14.684 40.191 142.822 1 36.199  ? 22 C 1 c
ATOM 3115 N N    . GLU Cxp C 23 ? -11.402 38.718 142.875 1 27.119  ? 23 C 1 .
ATOM 3116 C CA   . GLU Cxp C 23 ? -10.071 39.267 143.042 1 24.224  ? 23 C 1 .
ATOM 3117 C C    . GLU Cxp C 23 ? -9.289  38.909 141.799 1 25.191  ? 23 C 1 .
ATOM 3118 O O    . GLU Cxp C 23 ? -8.679  39.758 141.149 1 28.2    ? 23 C 1 .
ATOM 3119 C CB   . GLU Cxp C 23 ? -9.361  38.636 144.231 1 21.616  ? 23 C 1 .
ATOM 3120 C CG   . GLU Cxp C 23 ? -10.227 38.672 145.479 1 20.73   ? 23 C 1 .
ATOM 3121 C CD   . GLU Cxp C 23 ? -9.659  38.011 146.703 1 18.932  ? 23 C 1 .
ATOM 3122 O OE1  . GLU Cxp C 23 ? -9.158  36.878 146.598 1 17.587  ? 23 C 1 .
ATOM 3123 O OE2  . GLU Cxp C 23 ? -9.763  38.657 147.753 1 17.761  ? 23 C 1 .
ATOM 3124 H H    . GLU Cxp C 23 ? -11.613 37.944 143.31  1 27.143  ? 23 C 1 c
ATOM 3125 H HA   . GLU Cxp C 23 ? -10.127 40.252 143.138 1 24.506  ? 23 C 1 c
ATOM 3126 H HB3  . GLU Cxp C 23 ? -8.525  39.119 144.397 1 21.981  ? 23 C 1 c
ATOM 3127 H HB2  . GLU Cxp C 23 ? -9.135  37.706 144.021 1 22.001  ? 23 C 1 c
ATOM 3128 H HG3  . GLU Cxp C 23 ? -11.082 38.245 145.28  1 20.753  ? 23 C 1 c
ATOM 3129 H HG2  . GLU Cxp C 23 ? -10.42  39.608 145.699 1 20.523  ? 23 C 1 c
ATOM 3130 N N    . MET Cxp C 24 ? -9.365  37.627 141.475 1 24.634  ? 24 C 1 .
ATOM 3131 C CA   . MET Cxp C 24 ? -8.698  37.14  140.295 1 26.042  ? 24 C 1 .
ATOM 3132 C C    . MET Cxp C 24 ? -9.036  38.042 139.108 1 26.054  ? 24 C 1 .
ATOM 3133 O O    . MET Cxp C 24 ? -8.159  38.345 138.298 1 26.134  ? 24 C 1 .
ATOM 3134 C CB   . MET Cxp C 24 ? -9.102  35.688 140.05  1 29.215  ? 24 C 1 .
ATOM 3135 C CG   . MET Cxp C 24 ? -8.522  35.086 138.782 1 31.778  ? 24 C 1 .
ATOM 3136 S SD   . MET Cxp C 24 ? -9.478  35.596 137.339 1 33.44   ? 24 C 1 .
ATOM 3137 C CE   . MET Cxp C 24 ? -9.421  34.109 136.328 1 36.983  ? 24 C 1 .
ATOM 3138 H H    . MET Cxp C 24 ? -9.833  37.041 141.998 1 25.098  ? 24 C 1 c
ATOM 3139 H HA   . MET Cxp C 24 ? -7.721  37.185 140.454 1 26.307  ? 24 C 1 c
ATOM 3140 H HB3  . MET Cxp C 24 ? -10.08  35.637 140.004 1 29.029  ? 24 C 1 c
ATOM 3141 H HB2  . MET Cxp C 24 ? -8.813  35.15  140.818 1 29.015  ? 24 C 1 c
ATOM 3142 H HG3  . MET Cxp C 24 ? -8.531  34.11  138.845 1 31.449  ? 24 C 1 c
ATOM 3143 H HG2  . MET Cxp C 24 ? -7.595  35.378 138.673 1 31.449  ? 24 C 1 c
ATOM 3144 H HE3  . MET Cxp C 24 ? -10.092 33.476 136.643 1 36.066  ? 24 C 1 c
ATOM 3145 H HE2  . MET Cxp C 24 ? -8.536  33.705 136.395 1 36.066  ? 24 C 1 c
ATOM 3146 H HE1  . MET Cxp C 24 ? -9.602  34.341 135.399 1 36.066  ? 24 C 1 c
ATOM 3147 N N    . LEU Cxp C 25 ? -10.292 38.503 139.019 1 26.643  ? 25 C 1 .
ATOM 3148 C CA   . LEU Cxp C 25 ? -10.698 39.364 137.912 1 27.526  ? 25 C 1 .
ATOM 3149 C C    . LEU Cxp C 25 ? -10.188 40.789 138.128 1 26.837  ? 25 C 1 .
ATOM 3150 O O    . LEU Cxp C 25 ? -9.877  41.474 137.154 1 27.117  ? 25 C 1 .
ATOM 3151 C CB   . LEU Cxp C 25 ? -12.209 39.368 137.663 1 27.32   ? 25 C 1 .
ATOM 3152 C CG   . LEU Cxp C 25 ? -12.855 38.012 137.366 1 27.535  ? 25 C 1 .
ATOM 3153 C CD1  . LEU Cxp C 25 ? -14.217 38.208 136.744 1 27.118  ? 25 C 1 .
ATOM 3154 C CD2  . LEU Cxp C 25 ? -12.014 37.13  136.463 1 28.055  ? 25 C 1 .
ATOM 3155 H H    . LEU Cxp C 25 ? -10.913 38.266 139.646 1 26.668  ? 25 C 1 c
ATOM 3156 H HA   . LEU Cxp C 25 ? -10.253 39.024 137.095 1 27.184  ? 25 C 1 c
ATOM 3157 H HB3  . LEU Cxp C 25 ? -12.392 39.971 136.907 1 27.413  ? 25 C 1 c
ATOM 3158 H HB2  . LEU Cxp C 25 ? -12.648 39.752 138.457 1 27.415  ? 25 C 1 c
ATOM 3159 H HG   . LEU Cxp C 25 ? -12.979 37.536 138.227 1 27.513  ? 25 C 1 c
ATOM 3160 H HD11 . LEU Cxp C 25 ? -14.77  38.747 137.335 1 27.242  ? 25 C 1 c
ATOM 3161 H HD12 . LEU Cxp C 25 ? -14.638 37.343 136.606 1 27.242  ? 25 C 1 c
ATOM 3162 H HD13 . LEU Cxp C 25 ? -14.121 38.661 135.889 1 27.243  ? 25 C 1 c
ATOM 3163 H HD21 . LEU Cxp C 25 ? -11.092 37.15  136.755 1 27.932  ? 25 C 1 c
ATOM 3164 H HD22 . LEU Cxp C 25 ? -12.07  37.454 135.549 1 27.907  ? 25 C 1 c
ATOM 3165 H HD23 . LEU Cxp C 25 ? -12.346 36.217 136.502 1 27.927  ? 25 C 1 c
ATOM 3166 N N    . PHE Cxp C 26 ? -10.144 41.243 139.389 1 24.594  ? 26 C 1 .
ATOM 3167 C CA   . PHE Cxp C 26 ? -9.647  42.571 139.684 1 22.212  ? 26 C 1 .
ATOM 3168 C C    . PHE Cxp C 26 ? -8.217  42.659 139.177 1 22.021  ? 26 C 1 .
ATOM 3169 O O    . PHE Cxp C 26 ? -7.853  43.618 138.496 1 21.672  ? 26 C 1 .
ATOM 3170 C CB   . PHE Cxp C 26 ? -9.668  42.891 141.176 1 21.503  ? 26 C 1 .
ATOM 3171 C CG   . PHE Cxp C 26 ? -9.306  44.342 141.454 1 21.325  ? 26 C 1 .
ATOM 3172 C CD1  . PHE Cxp C 26 ? -8.005  44.804 141.299 1 21.554  ? 26 C 1 .
ATOM 3173 C CD2  . PHE Cxp C 26 ? -10.265 45.243 141.88  1 21.002  ? 26 C 1 .
ATOM 3174 C CE1  . PHE Cxp C 26 ? -7.679  46.121 141.573 1 20.748  ? 26 C 1 .
ATOM 3175 C CE2  . PHE Cxp C 26 ? -9.931  46.556 142.139 1 20.642  ? 26 C 1 .
ATOM 3176 C CZ   . PHE Cxp C 26 ? -8.641  46.987 141.994 1 20.486  ? 26 C 1 .
ATOM 3177 H H    . PHE Cxp C 26 ? -10.447 40.72  140.074 1 24.555  ? 26 C 1 c
ATOM 3178 H HA   . PHE Cxp C 26 ? -10.204 43.238 139.201 1 22.489  ? 26 C 1 c
ATOM 3179 H HB3  . PHE Cxp C 26 ? -9.028  42.305 141.637 1 21.657  ? 26 C 1 c
ATOM 3180 H HB2  . PHE Cxp C 26 ? -10.568 42.708 141.527 1 21.621  ? 26 C 1 c
ATOM 3181 H HD1  . PHE Cxp C 26 ? -7.329  44.207 141.024 1 21.304  ? 26 C 1 c
ATOM 3182 H HD2  . PHE Cxp C 26 ? -11.158 44.956 141.991 1 20.996  ? 26 C 1 c
ATOM 3183 H HE1  . PHE Cxp C 26 ? -6.789  46.419 141.465 1 20.872  ? 26 C 1 c
ATOM 3184 H HE2  . PHE Cxp C 26 ? -10.597 47.159 142.429 1 20.698  ? 26 C 1 c
ATOM 3185 H HZ   . PHE Cxp C 26 ? -8.422  47.889 142.167 1 20.599  ? 26 C 1 c
ATOM 3186 N N    . ILE Cxp C 27 ? -7.439  41.625 139.517 1 22.362  ? 27 C 1 .
ATOM 3187 C CA   . ILE Cxp C 27 ? -6.046  41.517 139.123 1 22.989  ? 27 C 1 .
ATOM 3188 C C    . ILE Cxp C 27 ? -5.903  41.535 137.61  1 21.322  ? 27 C 1 .
ATOM 3189 O O    . ILE Cxp C 27 ? -5.462  42.545 137.081 1 22.003  ? 27 C 1 .
ATOM 3190 C CB   . ILE Cxp C 27 ? -5.414  40.254 139.712 1 25.478  ? 27 C 1 .
ATOM 3191 C CG1  . ILE Cxp C 27 ? -5.306  40.378 141.228 1 27.093  ? 27 C 1 .
ATOM 3192 C CG2  . ILE Cxp C 27 ? -4.062  39.974 139.056 1 26.586  ? 27 C 1 .
ATOM 3193 C CD1  . ILE Cxp C 27 ? -4.677  41.681 141.693 1 27.204  ? 27 C 1 .
ATOM 3194 H H    . ILE Cxp C 27 ? -7.798  40.956 140.026 1 22.527  ? 27 C 1 c
ATOM 3195 H HA   . ILE Cxp C 27 ? -5.572  42.291 139.478 1 23.045  ? 27 C 1 c
ATOM 3196 H HB   . ILE Cxp C 27 ? -6.007  39.502 139.517 1 25.418  ? 27 C 1 c
ATOM 3197 H HG12 . ILE Cxp C 27 ? -4.771  39.632 141.567 1 26.812  ? 27 C 1 c
ATOM 3198 H HG13 . ILE Cxp C 27 ? -6.202  40.304 141.616 1 26.733  ? 27 C 1 c
ATOM 3199 H HG21 . ILE Cxp C 27 ? -3.856  39.029 139.132 1 26.307  ? 27 C 1 c
ATOM 3200 H HG22 . ILE Cxp C 27 ? -3.37   40.487 139.503 1 26.218  ? 27 C 1 c
ATOM 3201 H HG23 . ILE Cxp C 27 ? -4.087  40.22  138.118 1 26.162  ? 27 C 1 c
ATOM 3202 H HD11 . ILE Cxp C 27 ? -3.992  41.97  141.062 1 27.094  ? 27 C 1 c
ATOM 3203 H HD12 . ILE Cxp C 27 ? -4.27   41.544 142.57  1 27.143  ? 27 C 1 c
ATOM 3204 H HD13 . ILE Cxp C 27 ? -5.365  42.37  141.762 1 27.102  ? 27 C 1 c
ATOM 3205 N N    . TYR Cxp C 28 ? -6.323  40.448 136.951 1 19.54   ? 28 C 1 .
ATOM 3206 C CA   . TYR Cxp C 28 ? -6.265  40.316 135.499 1 18.531  ? 28 C 1 .
ATOM 3207 C C    . TYR Cxp C 28 ? -6.614  41.63  134.813 1 16.536  ? 28 C 1 .
ATOM 3208 O O    . TYR Cxp C 28 ? -5.765  42.296 134.249 1 15.719  ? 28 C 1 .
ATOM 3209 C CB   . TYR Cxp C 28 ? -7.256  39.262 134.992 1 19.581  ? 28 C 1 .
ATOM 3210 C CG   . TYR Cxp C 28 ? -7.349  39.272 133.474 1 19.682  ? 28 C 1 .
ATOM 3211 C CD1  . TYR Cxp C 28 ? -6.437  38.583 132.685 1 19.691  ? 28 C 1 .
ATOM 3212 C CD2  . TYR Cxp C 28 ? -8.347  39.986 132.83  1 19.804  ? 28 C 1 .
ATOM 3213 C CE1  . TYR Cxp C 28 ? -6.501  38.634 131.298 1 19.567  ? 28 C 1 .
ATOM 3214 C CE2  . TYR Cxp C 28 ? -8.428  40.034 131.447 1 19.109  ? 28 C 1 .
ATOM 3215 C CZ   . TYR Cxp C 28 ? -7.481  39.387 130.674 1 18.126  ? 28 C 1 .
ATOM 3216 O OH   . TYR Cxp C 28 ? -7.541  39.476 129.316 1 15.676  ? 28 C 1 .
ATOM 3217 H H    . TYR Cxp C 28 ? -6.676  39.755 137.43  1 19.808  ? 28 C 1 c
ATOM 3218 H HA   . TYR Cxp C 28 ? -5.346  40.051 135.236 1 18.578  ? 28 C 1 c
ATOM 3219 H HB3  . TYR Cxp C 28 ? -8.143  39.441 135.374 1 19.338  ? 28 C 1 c
ATOM 3220 H HB2  . TYR Cxp C 28 ? -6.963  38.376 135.292 1 19.464  ? 28 C 1 c
ATOM 3221 H HD1  . TYR Cxp C 28 ? -5.738  38.104 133.096 1 19.713  ? 28 C 1 c
ATOM 3222 H HD2  . TYR Cxp C 28 ? -8.978  40.463 133.343 1 19.566  ? 28 C 1 c
ATOM 3223 H HE1  . TYR Cxp C 28 ? -5.852  38.189 130.781 1 19.232  ? 28 C 1 c
ATOM 3224 H HE2  . TYR Cxp C 28 ? -9.095  40.554 131.033 1 19.02   ? 28 C 1 c
ATOM 3225 H HH   . TYR Cxp C 28 ? -6.794  39.024 129.113 0 20.45   ? 28 C 1 c
ATOM 3226 N N    . SER Cxp C 29 ? -7.873  42.025 134.959 1 16.231  ? 29 C 1 .
ATOM 3227 C CA   . SER Cxp C 29 ? -8.411  43.242 134.381 1 16.645  ? 29 C 1 .
ATOM 3228 C C    . SER Cxp C 29 ? -7.477  44.446 134.523 1 17.629  ? 29 C 1 .
ATOM 3229 O O    . SER Cxp C 29 ? -7.485  45.323 133.661 1 18.557  ? 29 C 1 .
ATOM 3230 C CB   . SER Cxp C 29 ? -9.767  43.562 134.982 1 16.388  ? 29 C 1 .
ATOM 3231 O OG   . SER Cxp C 29 ? -9.646  44.117 136.285 1 16.074  ? 29 C 1 .
ATOM 3232 H H    . SER Cxp C 29 ? -8.431  41.513 135.469 1 16.455  ? 29 C 1 c
ATOM 3233 H HA   . SER Cxp C 29 ? -8.54   43.078 133.414 1 16.708  ? 29 C 1 c
ATOM 3234 H HB3  . SER Cxp C 29 ? -10.302 42.747 135.024 1 16.441  ? 29 C 1 c
ATOM 3235 H HB2  . SER Cxp C 29 ? -10.231 44.195 134.404 1 16.456  ? 29 C 1 c
ATOM 3236 H HG   . SER Cxp C 29 ? -10.328 44.211 136.54  0 21.82   ? 29 C 1 c
ATOM 3237 N N    . HIS Cxp C 30 ? -6.734  44.552 135.625 1 18.452  ? 30 C 1 .
ATOM 3238 C CA   . HIS Cxp C 30 ? -5.852  45.692 135.806 1 20.149  ? 30 C 1 .
ATOM 3239 C C    . HIS Cxp C 30 ? -4.487  45.46  135.143 1 22.038  ? 30 C 1 .
ATOM 3240 O O    . HIS Cxp C 30 ? -3.953  46.342 134.464 1 21.529  ? 30 C 1 .
ATOM 3241 C CB   . HIS Cxp C 30 ? -5.713  45.999 137.292 1 21.33   ? 30 C 1 .
ATOM 3242 C CG   . HIS Cxp C 30 ? -6.928  46.612 137.892 1 23.387  ? 30 C 1 .
ATOM 3243 N ND1  . HIS Cxp C 30 ? -8.088  45.892 138.068 1 25.67   ? 30 C 1 .
ATOM 3244 C CD2  . HIS Cxp C 30 ? -7.185  47.858 138.356 1 23.989  ? 30 C 1 .
ATOM 3245 C CE1  . HIS Cxp C 30 ? -8.999  46.685 138.641 1 26.123  ? 30 C 1 .
ATOM 3246 N NE2  . HIS Cxp C 30 ? -8.462  47.883 138.836 1 23.951  ? 30 C 1 .
ATOM 3247 H H    . HIS Cxp C 30 ? -6.788  43.919 136.281 1 18.625  ? 30 C 1 c
ATOM 3248 H HA   . HIS Cxp C 30 ? -6.272  46.476 135.374 1 20.333  ? 30 C 1 c
ATOM 3249 H HB3  . HIS Cxp C 30 ? -4.954  46.61  137.417 1 21.513  ? 30 C 1 c
ATOM 3250 H HB2  . HIS Cxp C 30 ? -5.508  45.166 137.769 1 21.496  ? 30 C 1 c
ATOM 3251 H HD1  . HIS Cxp C 30 ? -8.166  44.926 137.786 0 22.55   ? 30 C 1 c
ATOM 3252 H HD2  . HIS Cxp C 30 ? -6.58   48.572 138.37  1 24.086  ? 30 C 1 c
ATOM 3253 H HE1  . HIS Cxp C 30 ? -9.877  46.43  138.868 1 25.468  ? 30 C 1 c
ATOM 3254 H HE2  . HIS Cxp C 30 ? -8.77   48.444 139.117 0 22.91   ? 30 C 1 c
ATOM 3255 N N    . TYR Cxp C 31 ? -3.91   44.265 135.347 1 23.532  ? 31 C 1 .
ATOM 3256 C CA   . TYR Cxp C 31 ? -2.675  43.907 134.677 1 24.243  ? 31 C 1 .
ATOM 3257 C C    . TYR Cxp C 31 ? -2.783  44.341 133.216 1 26.013  ? 31 C 1 .
ATOM 3258 O O    . TYR Cxp C 31 ? -1.809  44.771 132.633 1 30.881  ? 31 C 1 .
ATOM 3259 C CB   . TYR Cxp C 31 ? -2.32   42.416 134.749 1 23.985  ? 31 C 1 .
ATOM 3260 C CG   . TYR Cxp C 31 ? -1.013  42.139 134.03  1 24.252  ? 31 C 1 .
ATOM 3261 C CD1  . TYR Cxp C 31 ? 0.137   42.821 134.403 1 26.183  ? 31 C 1 .
ATOM 3262 C CD2  . TYR Cxp C 31 ? -0.943  41.303 132.93  1 25.156  ? 31 C 1 .
ATOM 3263 C CE1  . TYR Cxp C 31 ? 1.34    42.644 133.743 1 26.725  ? 31 C 1 .
ATOM 3264 C CE2  . TYR Cxp C 31 ? 0.252   41.123 132.248 1 28.286  ? 31 C 1 .
ATOM 3265 C CZ   . TYR Cxp C 31 ? 1.398   41.798 132.653 1 28.734  ? 31 C 1 .
ATOM 3266 O OH   . TYR Cxp C 31 ? 2.599   41.684 132.002 1 29.405  ? 31 C 1 .
ATOM 3267 H H    . TYR Cxp C 31 ? -4.294  43.666 135.92  1 23.265  ? 31 C 1 c
ATOM 3268 H HA   . TYR Cxp C 31 ? -1.939  44.423 135.1   1 24.387  ? 31 C 1 c
ATOM 3269 H HB3  . TYR Cxp C 31 ? -3.04   41.894 134.332 1 24.119  ? 31 C 1 c
ATOM 3270 H HB2  . TYR Cxp C 31 ? -2.237  42.151 135.692 1 24.107  ? 31 C 1 c
ATOM 3271 H HD1  . TYR Cxp C 31 ? 0.104   43.407 135.141 1 25.912  ? 31 C 1 c
ATOM 3272 H HD2  . TYR Cxp C 31 ? -1.717  40.849 132.638 1 25.651  ? 31 C 1 c
ATOM 3273 H HE1  . TYR Cxp C 31 ? 2.108   43.115 134.019 1 27.035  ? 31 C 1 c
ATOM 3274 H HE2  . TYR Cxp C 31 ? 0.287   40.545 131.505 1 27.585  ? 31 C 1 c
ATOM 3275 H HH   . TYR Cxp C 31 ? 3.083   42.091 131.948 0 30.87   ? 31 C 1 c
ATOM 3276 N N    . LYS Cxp C 32 ? -3.979  44.253 132.633 1 26.214  ? 32 C 1 .
ATOM 3277 C CA   . LYS Cxp C 32 ? -4.183  44.617 131.248 1 25.917  ? 32 C 1 .
ATOM 3278 C C    . LYS Cxp C 32 ? -4.236  46.126 131.135 1 26.82   ? 32 C 1 .
ATOM 3279 O O    . LYS Cxp C 32 ? -3.34   46.735 130.577 1 29.034  ? 32 C 1 .
ATOM 3280 C CB   . LYS Cxp C 32 ? -5.485  44.018 130.727 1 26.232  ? 32 C 1 .
ATOM 3281 C CG   . LYS Cxp C 32 ? -5.568  42.52  130.982 1 26.687  ? 32 C 1 .
ATOM 3282 C CD   . LYS Cxp C 32 ? -4.492  41.7   130.297 1 26.41   ? 32 C 1 .
ATOM 3283 C CE   . LYS Cxp C 32 ? -4.653  41.777 128.827 1 27.422  ? 32 C 1 .
ATOM 3284 N NZ   . LYS Cxp C 32 ? -3.609  40.96  128.202 1 28.222  ? 32 C 1 .
ATOM 3285 H H    . LYS Cxp C 32 ? -4.692  43.949 133.116 1 26.045  ? 32 C 1 c
ATOM 3286 H HA   . LYS Cxp C 32 ? -3.421  44.28  130.712 1 26.238  ? 32 C 1 c
ATOM 3287 H HB3  . LYS Cxp C 32 ? -5.557  44.184 129.764 1 26.249  ? 32 C 1 c
ATOM 3288 H HB2  . LYS Cxp C 32 ? -6.246  44.453 131.167 1 26.294  ? 32 C 1 c
ATOM 3289 H HG3  . LYS Cxp C 32 ? -6.447  42.205 130.677 1 26.499  ? 32 C 1 c
ATOM 3290 H HG2  . LYS Cxp C 32 ? -5.52   42.362 131.947 1 26.416  ? 32 C 1 c
ATOM 3291 H HD3  . LYS Cxp C 32 ? -4.564  40.763 130.583 1 26.714  ? 32 C 1 c
ATOM 3292 H HD2  . LYS Cxp C 32 ? -3.605  42.036 130.547 1 26.708  ? 32 C 1 c
ATOM 3293 H HE3  . LYS Cxp C 32 ? -4.563  42.696 128.518 1 27.358  ? 32 C 1 c
ATOM 3294 H HE2  . LYS Cxp C 32 ? -5.529  41.441 128.566 1 27.368  ? 32 C 1 c
ATOM 3295 H HZ1  . LYS Cxp C 32 ? -3.69   40.098 128.471 1 27.951  ? 32 C 1 c
ATOM 3296 H HZ2  . LYS Cxp C 32 ? -2.791  41.271 128.438 1 27.951  ? 32 C 1 c
ATOM 3297 H HZ3  . LYS Cxp C 32 ? -3.691  40.997 127.3   1 27.965  ? 32 C 1 c
ATOM 3298 N N    . GLN Cxp C 33 ? -5.254  46.739 131.722 1 28.643  ? 33 C 1 .
ATOM 3299 C CA   . GLN Cxp C 33 ? -5.437  48.173 131.568 1 31.391  ? 33 C 1 .
ATOM 3300 C C    . GLN Cxp C 33 ? -4.147  48.928 131.92  1 34.55   ? 33 C 1 .
ATOM 3301 O O    . GLN Cxp C 33 ? -4.13   50.139 131.821 1 46.144  ? 33 C 1 .
ATOM 3302 C CB   . GLN Cxp C 33 ? -6.624  48.609 132.437 1 30.613  ? 33 C 1 .
ATOM 3303 C CG   . GLN Cxp C 33 ? -7.261  49.953 132.09  1 29.791  ? 33 C 1 .
ATOM 3304 C CD   . GLN Cxp C 33 ? -8.139  49.933 130.862 1 33.238  ? 33 C 1 .
ATOM 3305 O OE1  . GLN Cxp C 33 ? -8.893  48.993 130.57  1 39.045  ? 33 C 1 .
ATOM 3306 N NE2  . GLN Cxp C 33 ? -8.018  50.994 130.092 1 35.98   ? 33 C 1 .
ATOM 3307 H H    . GLN Cxp C 33 ? -5.836  46.267 132.245 1 28.752  ? 33 C 1 c
ATOM 3308 H HA   . GLN Cxp C 33 ? -5.658  48.356 130.62  1 31.219  ? 33 C 1 c
ATOM 3309 H HB3  . GLN Cxp C 33 ? -6.322  48.641 133.368 1 30.621  ? 33 C 1 c
ATOM 3310 H HB2  . GLN Cxp C 33 ? -7.314  47.916 132.38  1 30.615  ? 33 C 1 c
ATOM 3311 H HG3  . GLN Cxp C 33 ? -6.554  50.619 131.956 1 30.878  ? 33 C 1 c
ATOM 3312 H HG2  . GLN Cxp C 33 ? -7.804  50.252 132.851 1 30.827  ? 33 C 1 c
ATOM 3313 H HE21 . GLN Cxp C 33 ? -8.695  51.56  130.009 1 35.099  ? 33 C 1 c
ATOM 3314 H HE22 . GLN Cxp C 33 ? -7.258  51.142 129.66  1 35.074  ? 33 C 1 c
ATOM 3315 N N    . ALA Cxp C 34 ? -3.073  48.254 132.352 1 31.957  ? 34 C 1 .
ATOM 3316 C CA   . ALA Cxp C 34 ? -1.843  48.927 132.747 1 28.936  ? 34 C 1 .
ATOM 3317 C C    . ALA Cxp C 34 ? -0.664  48.471 131.892 1 26.595  ? 34 C 1 .
ATOM 3318 O O    . ALA Cxp C 34 ? 0.359   49.125 131.848 1 25.707  ? 34 C 1 .
ATOM 3319 C CB   . ALA Cxp C 34 ? -1.582  48.652 134.207 1 30.064  ? 34 C 1 .
ATOM 3320 H H    . ALA Cxp C 34 ? -3.123  47.349 132.458 1 31.652  ? 34 C 1 c
ATOM 3321 H HA   . ALA Cxp C 34 ? -1.96   49.907 132.616 1 29.368  ? 34 C 1 c
ATOM 3322 H HB3  . ALA Cxp C 34 ? -1.169  49.43  134.616 1 29.896  ? 34 C 1 c
ATOM 3323 H HB2  . ALA Cxp C 34 ? -0.987  47.889 134.296 1 29.749  ? 34 C 1 c
ATOM 3324 H HB1  . ALA Cxp C 34 ? -2.42   48.459 134.659 1 29.782  ? 34 C 1 c
ATOM 3325 N N    . THR Cxp C 35 ? -0.78   47.322 131.24  1 26.022  ? 35 C 1 .
ATOM 3326 C CA   . THR Cxp C 35 ? 0.199   46.921 130.252 1 25.16   ? 35 C 1 .
ATOM 3327 C C    . THR Cxp C 35 ? -0.246  47.336 128.86  1 27.184  ? 35 C 1 .
ATOM 3328 O O    . THR Cxp C 35 ? 0.578   47.862 128.11  1 30.469  ? 35 C 1 .
ATOM 3329 C CB   . THR Cxp C 35 ? 0.45    45.42  130.337 1 24.795  ? 35 C 1 .
ATOM 3330 O OG1  . THR Cxp C 35 ? -0.714  44.594 130.262 1 21.53   ? 35 C 1 .
ATOM 3331 C CG2  . THR Cxp C 35 ? 1.198   45.128 131.625 1 26.386  ? 35 C 1 .
ATOM 3332 H H    . THR Cxp C 35 ? -1.472  46.757 131.426 1 26.072  ? 35 C 1 c
ATOM 3333 H HA   . THR Cxp C 35 ? 1.043   47.382 130.452 1 25.659  ? 35 C 1 c
ATOM 3334 H HB   . THR Cxp C 35 ? 1.05    45.173 129.592 1 24.485  ? 35 C 1 c
ATOM 3335 H HG1  . THR Cxp C 35 ? -1.066  44.868 131.192 0 21.48   ? 35 C 1 c
ATOM 3336 H HG21 . THR Cxp C 35 ? 1.723   44.318 131.517 1 25.929  ? 35 C 1 c
ATOM 3337 H HG22 . THR Cxp C 35 ? 0.565   45.008 132.351 1 25.942  ? 35 C 1 c
ATOM 3338 H HG23 . THR Cxp C 35 ? 1.792   45.869 131.835 1 25.911  ? 35 C 1 c
ATOM 3339 N N    . VAL Cxp C 36 ? -1.519  47.073 128.524 1 26.637  ? 36 C 1 .
ATOM 3340 C CA   . VAL Cxp C 36 ? -2.011  47.273 127.175 1 27.071  ? 36 C 1 .
ATOM 3341 C C    . VAL Cxp C 36 ? -2.59   48.667 127.01  1 32.044  ? 36 C 1 .
ATOM 3342 O O    . VAL Cxp C 36 ? -2.21   49.378 126.087 1 39.414  ? 36 C 1 .
ATOM 3343 C CB   . VAL Cxp C 36 ? -3.074  46.247 126.802 1 26.159  ? 36 C 1 .
ATOM 3344 C CG1  . VAL Cxp C 36 ? -3.884  46.702 125.603 1 26.635  ? 36 C 1 .
ATOM 3345 C CG2  . VAL Cxp C 36 ? -2.435  44.91  126.518 1 28.142  ? 36 C 1 .
ATOM 3346 H H    . VAL Cxp C 36 ? -2.096  46.756 129.159 1 26.84   ? 36 C 1 c
ATOM 3347 H HA   . VAL Cxp C 36 ? -1.26   47.175 126.557 1 27.741  ? 36 C 1 c
ATOM 3348 H HB   . VAL Cxp C 36 ? -3.68   46.151 127.573 1 26.778  ? 36 C 1 c
ATOM 3349 H HG11 . VAL Cxp C 36 ? -3.292  47.089 124.936 1 26.52   ? 36 C 1 c
ATOM 3350 H HG12 . VAL Cxp C 36 ? -4.537  47.366 125.882 1 26.478  ? 36 C 1 c
ATOM 3351 H HG13 . VAL Cxp C 36 ? -4.347  45.939 125.217 1 26.504  ? 36 C 1 c
ATOM 3352 H HG21 . VAL Cxp C 36 ? -3.128  44.239 126.394 1 27.536  ? 36 C 1 c
ATOM 3353 H HG22 . VAL Cxp C 36 ? -1.869  44.655 127.266 1 27.532  ? 36 C 1 c
ATOM 3354 H HG23 . VAL Cxp C 36 ? -1.897  44.971 125.712 1 27.536  ? 36 C 1 c
ATOM 3355 N N    . GLY Cxp C 37 ? -3.553  49.027 127.861 1 32.827  ? 37 C 1 .
ATOM 3356 C CA   . GLY Cxp C 37 ? -4.373  50.211 127.634 1 31.296  ? 37 C 1 .
ATOM 3357 C C    . GLY Cxp C 37 ? -5.843  49.819 127.524 1 28.858  ? 37 C 1 .
ATOM 3358 O O    . GLY Cxp C 37 ? -6.213  48.781 128.063 1 26.994  ? 37 C 1 .
ATOM 3359 H H    . GLY Cxp C 37 ? -3.708  48.521 128.606 1 32.213  ? 37 C 1 c
ATOM 3360 H HA3  . GLY Cxp C 37 ? -4.086  50.661 126.805 1 31.138  ? 37 C 1 c
ATOM 3361 H HA2  . GLY Cxp C 37 ? -4.251  50.84  128.383 1 31.096  ? 37 C 1 c
ATOM 3362 N N    . ASP Cxp C 38 ? -6.671  50.621 126.83  1 27.242  ? 38 C 1 .
ATOM 3363 C CA   . ASP Cxp C 38 ? -8.066  50.23  126.684 1 25.868  ? 38 C 1 .
ATOM 3364 C C    . ASP Cxp C 38 ? -8.166  48.951 125.863 1 24.028  ? 38 C 1 .
ATOM 3365 O O    . ASP Cxp C 38 ? -7.436  48.711 124.897 1 21.953  ? 38 C 1 .
ATOM 3366 C CB   . ASP Cxp C 38 ? -8.979  51.291 126.111 1 26.033  ? 38 C 1 .
ATOM 3367 C CG   . ASP Cxp C 38 ? -9.049  52.545 126.951 1 28.131  ? 38 C 1 .
ATOM 3368 O OD1  . ASP Cxp C 38 ? -9.043  52.429 128.17  1 31.995  ? 38 C 1 .
ATOM 3369 O OD2  . ASP Cxp C 38 ? -9.08   53.627 126.369 1 31.567  ? 38 C 1 .
ATOM 3370 H H    . ASP Cxp C 38 ? -6.372  51.399 126.454 1 27.303  ? 38 C 1 c
ATOM 3371 H HA   . ASP Cxp C 38 ? -8.414  50.038 127.584 1 25.857  ? 38 C 1 c
ATOM 3372 H HB3  . ASP Cxp C 38 ? -9.881  50.92  126.033 1 26.572  ? 38 C 1 c
ATOM 3373 H HB2  . ASP Cxp C 38 ? -8.668  51.532 125.213 1 26.512  ? 38 C 1 c
ATOM 3374 N N    . ILE Cxp C 39 ? -9.078  48.108 126.321 1 22.967  ? 39 C 1 .
ATOM 3375 C CA   . ILE Cxp C 39 ? -9.327  46.843 125.665 1 21.879  ? 39 C 1 .
ATOM 3376 C C    . ILE Cxp C 39 ? -9.45   47.059 124.159 1 21.934  ? 39 C 1 .
ATOM 3377 O O    . ILE Cxp C 39 ? -10.162 47.936 123.669 1 20.201  ? 39 C 1 .
ATOM 3378 C CB   . ILE Cxp C 39 ? -10.592 46.207 126.243 1 20.241  ? 39 C 1 .
ATOM 3379 C CG1  . ILE Cxp C 39 ? -10.756 44.792 125.786 1 18.822  ? 39 C 1 .
ATOM 3380 C CG2  . ILE Cxp C 39 ? -11.803 47.072 125.928 1 20.723  ? 39 C 1 .
ATOM 3381 C CD1  . ILE Cxp C 39 ? -11.838 44.084 126.557 1 18.831  ? 39 C 1 .
ATOM 3382 H H    . ILE Cxp C 39 ? -9.559  48.322 127.068 1 22.934  ? 39 C 1 c
ATOM 3383 H HA   . ILE Cxp C 39 ? -8.576  46.252 125.837 1 21.752  ? 39 C 1 c
ATOM 3384 H HB   . ILE Cxp C 39 ? -10.489 46.188 127.216 1 20.339  ? 39 C 1 c
ATOM 3385 H HG12 . ILE Cxp C 39 ? -9.91   44.314 125.906 1 19.163  ? 39 C 1 c
ATOM 3386 H HG13 . ILE Cxp C 39 ? -10.982 44.783 124.834 1 19.167  ? 39 C 1 c
ATOM 3387 H HG21 . ILE Cxp C 39 ? -12.475 46.949 126.617 1 20.592  ? 39 C 1 c
ATOM 3388 H HG22 . ILE Cxp C 39 ? -12.174 46.814 125.067 1 20.575  ? 39 C 1 c
ATOM 3389 H HG23 . ILE Cxp C 39 ? -11.543 48.008 125.899 1 20.619  ? 39 C 1 c
ATOM 3390 H HD11 . ILE Cxp C 39 ? -11.841 44.395 127.482 1 18.851  ? 39 C 1 c
ATOM 3391 H HD12 . ILE Cxp C 39 ? -11.672 43.124 126.542 1 18.84   ? 39 C 1 c
ATOM 3392 H HD13 . ILE Cxp C 39 ? -12.703 44.275 126.151 1 18.842  ? 39 C 1 c
ATOM 3393 N N    . ASN Cxp C 40 ? -8.728  46.201 123.439 1 22.496  ? 40 C 1 .
ATOM 3394 C CA   . ASN Cxp C 40 ? -8.588  46.304 122     1 22.908  ? 40 C 1 .
ATOM 3395 C C    . ASN Cxp C 40 ? -8.792  44.964 121.315 1 21.917  ? 40 C 1 .
ATOM 3396 O O    . ASN Cxp C 40 ? -8.266  44.79  120.221 1 21.111  ? 40 C 1 .
ATOM 3397 C CB   . ASN Cxp C 40 ? -7.178  46.717 121.61  1 24.531  ? 40 C 1 .
ATOM 3398 C CG   . ASN Cxp C 40 ? -6.124  45.769 122.146 1 26.978  ? 40 C 1 .
ATOM 3399 O OD1  . ASN Cxp C 40 ? -6.396  44.881 122.963 1 23.921  ? 40 C 1 .
ATOM 3400 N ND2  . ASN Cxp C 40 ? -4.886  45.958 121.712 1 32.286  ? 40 C 1 .
ATOM 3401 H H    . ASN Cxp C 40 ? -8.302  45.515 123.867 1 22.462  ? 40 C 1 c
ATOM 3402 H HA   . ASN Cxp C 40 ? -9.222  46.967 121.646 1 22.91   ? 40 C 1 c
ATOM 3403 H HB3  . ASN Cxp C 40 ? -7.003  47.611 121.96  1 24.676  ? 40 C 1 c
ATOM 3404 H HB2  . ASN Cxp C 40 ? -7.108  46.758 120.636 1 24.641  ? 40 C 1 c
ATOM 3405 H HD21 . ASN Cxp C 40 ? -4.339  45.265 121.62  1 30.537  ? 40 C 1 c
ATOM 3406 H HD22 . ASN Cxp C 40 ? -4.606  46.777 121.515 1 30.502  ? 40 C 1 c
ATOM 3407 N N    . THR Cxp C 41 ? -9.481  44.019 121.969 1 22.118  ? 41 C 1 .
ATOM 3408 C CA   . THR Cxp C 41 ? -9.697  42.697 121.399 1 23.089  ? 41 C 1 .
ATOM 3409 C C    . THR Cxp C 41 ? -11.193 42.441 121.319 1 23.414  ? 41 C 1 .
ATOM 3410 O O    . THR Cxp C 41 ? -11.992 43.2   121.847 1 21.806  ? 41 C 1 .
ATOM 3411 C CB   . THR Cxp C 41 ? -9.008  41.578 122.187 1 24.01   ? 41 C 1 .
ATOM 3412 O OG1  . THR Cxp C 41 ? -9.843  41.176 123.26  1 23.853  ? 41 C 1 .
ATOM 3413 C CG2  . THR Cxp C 41 ? -7.662  41.955 122.777 1 25.097  ? 41 C 1 .
ATOM 3414 H H    . THR Cxp C 41 ? -9.838  44.206 122.79  1 22.292  ? 41 C 1 c
ATOM 3415 H HA   . THR Cxp C 41 ? -9.336  42.693 120.486 1 23.101  ? 41 C 1 c
ATOM 3416 H HB   . THR Cxp C 41 ? -8.872  40.808 121.585 1 24.006  ? 41 C 1 c
ATOM 3417 H HG1  . THR Cxp C 41 ? -9.838  41.527 123.844 0 22.48   ? 41 C 1 c
ATOM 3418 H HG21 . THR Cxp C 41 ? -7.197  41.151 123.065 1 24.766  ? 41 C 1 c
ATOM 3419 H HG22 . THR Cxp C 41 ? -7.794  42.543 123.54  1 24.755  ? 41 C 1 c
ATOM 3420 H HG23 . THR Cxp C 41 ? -7.129  42.413 122.105 1 24.762  ? 41 C 1 c
ATOM 3421 N N    . GLU Cxp C 42 ? -11.556 41.348 120.646 1 25.864  ? 42 C 1 .
ATOM 3422 C CA   . GLU Cxp C 42 ? -12.948 40.962 120.518 1 27.849  ? 42 C 1 .
ATOM 3423 C C    . GLU Cxp C 42 ? -13.358 40.213 121.761 1 25.951  ? 42 C 1 .
ATOM 3424 O O    . GLU Cxp C 42 ? -12.511 39.632 122.423 1 28.035  ? 42 C 1 .
ATOM 3425 C CB   . GLU Cxp C 42 ? -13.207 39.904 119.453 1 31.325  ? 42 C 1 .
ATOM 3426 C CG   . GLU Cxp C 42 ? -13.073 40.414 118.026 1 35.95   ? 42 C 1 .
ATOM 3427 C CD   . GLU Cxp C 42 ? -13.747 39.366 117.177 1 40.774  ? 42 C 1 .
ATOM 3428 O OE1  . GLU Cxp C 42 ? -14.845 39.667 116.662 1 46.975  ? 42 C 1 .
ATOM 3429 O OE2  . GLU Cxp C 42 ? -13.216 38.239 117.108 1 41.356  ? 42 C 1 .
ATOM 3430 H H    . GLU Cxp C 42 ? -10.915 40.828 120.252 1 25.687  ? 42 C 1 c
ATOM 3431 H HA   . GLU Cxp C 42 ? -13.516 41.765 120.392 1 27.613  ? 42 C 1 c
ATOM 3432 H HB3  . GLU Cxp C 42 ? -14.112 39.547 119.573 1 31.436  ? 42 C 1 c
ATOM 3433 H HB2  . GLU Cxp C 42 ? -12.576 39.165 119.582 1 31.433  ? 42 C 1 c
ATOM 3434 H HG3  . GLU Cxp C 42 ? -12.128 40.494 117.776 1 35.884  ? 42 C 1 c
ATOM 3435 H HG2  . GLU Cxp C 42 ? -13.528 41.277 117.924 1 35.933  ? 42 C 1 c
ATOM 3436 N N    . ARG Cxp C 43 ? -14.656 40.146 122.021 1 24.242  ? 43 C 1 .
ATOM 3437 C CA   . ARG Cxp C 43 ? -15.073 39.414 123.2   1 24.036  ? 43 C 1 .
ATOM 3438 C C    . ARG Cxp C 43 ? -15.034 37.927 122.882 1 22.055  ? 43 C 1 .
ATOM 3439 O O    . ARG Cxp C 43 ? -15.449 37.533 121.803 1 22.526  ? 43 C 1 .
ATOM 3440 C CB   . ARG Cxp C 43 ? -16.484 39.815 123.626 1 25.017  ? 43 C 1 .
ATOM 3441 C CG   . ARG Cxp C 43 ? -16.928 39.295 124.985 1 24.517  ? 43 C 1 .
ATOM 3442 C CD   . ARG Cxp C 43 ? -18.314 39.817 125.297 1 24.823  ? 43 C 1 .
ATOM 3443 N NE   . ARG Cxp C 43 ? -18.703 39.732 126.704 1 24.472  ? 43 C 1 .
ATOM 3444 C CZ   . ARG Cxp C 43 ? -19.469 38.78  127.235 1 25.72   ? 43 C 1 .
ATOM 3445 N NH1  . ARG Cxp C 43 ? -19.745 37.663 126.572 1 26.45   ? 43 C 1 .
ATOM 3446 N NH2  . ARG Cxp C 43 ? -19.917 38.931 128.47  1 25.978  ? 43 C 1 .
ATOM 3447 H H    . ARG Cxp C 43 ? -15.276 40.545 121.48  1 24.616  ? 43 C 1 c
ATOM 3448 H HA   . ARG Cxp C 43 ? -14.443 39.613 123.936 1 23.84   ? 43 C 1 c
ATOM 3449 H HB3  . ARG Cxp C 43 ? -17.116 39.493 122.948 1 24.661  ? 43 C 1 c
ATOM 3450 H HB2  . ARG Cxp C 43 ? -16.536 40.795 123.634 1 24.673  ? 43 C 1 c
ATOM 3451 H HG3  . ARG Cxp C 43 ? -16.302 39.595 125.677 1 24.608  ? 43 C 1 c
ATOM 3452 H HG2  . ARG Cxp C 43 ? -16.944 38.314 124.975 1 24.669  ? 43 C 1 c
ATOM 3453 H HD3  . ARG Cxp C 43 ? -18.96  39.317 124.757 1 24.695  ? 43 C 1 c
ATOM 3454 H HD2  . ARG Cxp C 43 ? -18.363 40.753 125.015 1 24.676  ? 43 C 1 c
ATOM 3455 H HE   . ARG Cxp C 43 ? -18.412 40.353 127.241 1 24.852  ? 43 C 1 c
ATOM 3456 H HH11 . ARG Cxp C 43 ? -19.14  37.311 126.033 1 26.181  ? 43 C 1 c
ATOM 3457 H HH12 . ARG Cxp C 43 ? -20.536 37.28  126.67  1 26.199  ? 43 C 1 c
ATOM 3458 H HH21 . ARG Cxp C 43 ? -20.361 39.663 128.689 1 25.899  ? 43 C 1 c
ATOM 3459 H HH22 . ARG Cxp C 43 ? -19.772 38.298 129.07  1 25.899  ? 43 C 1 c
ATOM 3460 N N    . PRO Cxp C 44 ? -14.55  37.057 123.792 1 20.64   ? 44 C 1 .
ATOM 3461 C CA   . PRO Cxp C 44 ? -14.602 35.615 123.571 1 21.538  ? 44 C 1 .
ATOM 3462 C C    . PRO Cxp C 44 ? -16.028 35.091 123.508 1 22.344  ? 44 C 1 .
ATOM 3463 O O    . PRO Cxp C 44 ? -16.94  35.767 123.978 1 22.232  ? 44 C 1 .
ATOM 3464 C CB   . PRO Cxp C 44 ? -13.869 35.013 124.766 1 21.274  ? 44 C 1 .
ATOM 3465 C CG   . PRO Cxp C 44 ? -14.049 36.081 125.823 1 20.825  ? 44 C 1 .
ATOM 3466 C CD   . PRO Cxp C 44 ? -13.963 37.399 125.09  1 20.382  ? 44 C 1 .
ATOM 3467 H HA   . PRO Cxp C 44 ? -14.13  35.392 122.742 1 21.478  ? 44 C 1 c
ATOM 3468 H HB3  . PRO Cxp C 44 ? -12.923 34.871 124.565 1 21.231  ? 44 C 1 c
ATOM 3469 H HB2  . PRO Cxp C 44 ? -14.275 34.169 125.043 1 21.237  ? 44 C 1 c
ATOM 3470 H HG3  . PRO Cxp C 44 ? -13.347 36.02  126.501 1 20.853  ? 44 C 1 c
ATOM 3471 H HG2  . PRO Cxp C 44 ? -14.916 35.989 126.258 1 20.875  ? 44 C 1 c
ATOM 3472 H HD3  . PRO Cxp C 44 ? -14.482 38.091 125.541 1 20.614  ? 44 C 1 c
ATOM 3473 H HD2  . PRO Cxp C 44 ? -13.038 37.696 124.989 1 20.555  ? 44 C 1 c
ATOM 3474 N N    . GLY Cxp C 45 ? -16.189 33.912 122.901 1 23.832  ? 45 C 1 .
ATOM 3475 C CA   . GLY Cxp C 45 ? -17.498 33.403 122.542 1 26.951  ? 45 C 1 .
ATOM 3476 C C    . GLY Cxp C 45 ? -17.67  31.935 122.908 1 33.304  ? 45 C 1 .
ATOM 3477 O O    . GLY Cxp C 45 ? -16.846 31.343 123.605 1 35.194  ? 45 C 1 .
ATOM 3478 H H    . GLY Cxp C 45 ? -15.453 33.407 122.706 1 24.093  ? 45 C 1 c
ATOM 3479 H HA3  . GLY Cxp C 45 ? -17.624 33.512 121.57  1 27.5    ? 45 C 1 c
ATOM 3480 H HA2  . GLY Cxp C 45 ? -18.191 33.936 122.994 1 27.373  ? 45 C 1 c
ATOM 3481 N N    . MET Cxp C 46 ? -18.766 31.364 122.396 1 41.875  ? 46 C 1 .
ATOM 3482 C CA   . MET Cxp C 46 ? -19.18  29.986 122.639 1 49.551  ? 46 C 1 .
ATOM 3483 C C    . MET Cxp C 46 ? -19.498 29.802 124.114 1 37.86   ? 46 C 1 .
ATOM 3484 O O    . MET Cxp C 46 ? -20.498 30.328 124.603 1 30.019  ? 46 C 1 .
ATOM 3485 C CB   . MET Cxp C 46 ? -18.145 28.914 122.261 1 67.2    ? 46 C 1 .
ATOM 3486 C CG   . MET Cxp C 46 ? -18.047 28.598 120.795 1 86.585  ? 46 C 1 .
ATOM 3487 S SD   . MET Cxp C 46 ? -16.685 29.545 120.086 1 146.463 ? 46 C 1 .
ATOM 3488 C CE   . MET Cxp C 46 ? -15.137 28.653 120.326 1 136.845 ? 46 C 1 .
ATOM 3489 H H    . MET Cxp C 46 ? -19.296 31.875 121.854 1 40.934  ? 46 C 1 c
ATOM 3490 H HA   . MET Cxp C 46 ? -20.012 29.825 122.125 1 48.428  ? 46 C 1 c
ATOM 3491 H HB3  . MET Cxp C 46 ? -18.371 28.083 122.731 1 65.082  ? 46 C 1 c
ATOM 3492 H HB2  . MET Cxp C 46 ? -17.262 29.202 122.575 1 65.429  ? 46 C 1 c
ATOM 3493 H HG3  . MET Cxp C 46 ? -18.881 28.835 120.342 1 89.466  ? 46 C 1 c
ATOM 3494 H HG2  . MET Cxp C 46 ? -17.882 27.642 120.667 1 90.044  ? 46 C 1 c
ATOM 3495 H HE3  . MET Cxp C 46 ? -14.959 28.097 119.546 1 139.176 ? 46 C 1 c
ATOM 3496 H HE2  . MET Cxp C 46 ? -15.207 28.091 121.119 1 139.174 ? 46 C 1 c
ATOM 3497 H HE1  . MET Cxp C 46 ? -14.41  29.292 120.443 1 139.177 ? 46 C 1 c
ATOM 3498 N N    . LEU Cxp C 47 ? -18.618 29.044 124.78  1 32.55   ? 47 C 1 .
ATOM 3499 C CA   . LEU Cxp C 47 ? -18.844 28.586 126.131 1 31.086  ? 47 C 1 .
ATOM 3500 C C    . LEU Cxp C 47 ? -17.683 29.05  127.003 1 27.862  ? 47 C 1 .
ATOM 3501 O O    . LEU Cxp C 47 ? -17.624 28.716 128.192 1 26.861  ? 47 C 1 .
ATOM 3502 C CB   . LEU Cxp C 47 ? -19.009 27.066 126.03  1 31.232  ? 47 C 1 .
ATOM 3503 C CG   . LEU Cxp C 47 ? -20.105 26.602 125.051 1 32.141  ? 47 C 1 .
ATOM 3504 C CD1  . LEU Cxp C 47 ? -20.241 25.105 124.883 1 32.152  ? 47 C 1 .
ATOM 3505 C CD2  . LEU Cxp C 47 ? -21.48  27.173 125.382 1 32.168  ? 47 C 1 .
ATOM 3506 H H    . LEU Cxp C 47 ? -17.834 28.809 124.377 1 34.002  ? 47 C 1 c
ATOM 3507 H HA   . LEU Cxp C 47 ? -19.682 28.988 126.473 1 30.817  ? 47 C 1 c
ATOM 3508 H HB3  . LEU Cxp C 47 ? -19.222 26.718 126.927 1 31.401  ? 47 C 1 c
ATOM 3509 H HB2  . LEU Cxp C 47 ? -18.149 26.68  125.745 1 31.401  ? 47 C 1 c
ATOM 3510 H HG   . LEU Cxp C 47 ? -19.864 26.956 124.157 1 32.163  ? 47 C 1 c
ATOM 3511 H HD11 . LEU Cxp C 47 ? -19.48  24.661 125.294 1 32.143  ? 47 C 1 c
ATOM 3512 H HD12 . LEU Cxp C 47 ? -20.269 24.887 123.937 1 32.147  ? 47 C 1 c
ATOM 3513 H HD13 . LEU Cxp C 47 ? -21.06  24.8   125.311 1 32.147  ? 47 C 1 c
ATOM 3514 H HD21 . LEU Cxp C 47 ? -21.472 28.136 125.266 1 32.157  ? 47 C 1 c
ATOM 3515 H HD22 . LEU Cxp C 47 ? -21.706 26.961 126.304 1 32.159  ? 47 C 1 c
ATOM 3516 H HD23 . LEU Cxp C 47 ? -22.146 26.784 124.79  1 32.159  ? 47 C 1 c
ATOM 3517 N N    . ASP Cxp C 48 ? -16.787 29.859 126.412 1 24.762  ? 48 C 1 .
ATOM 3518 C CA   . ASP Cxp C 48 ? -15.582 30.27  127.111 1 23.156  ? 48 C 1 .
ATOM 3519 C C    . ASP Cxp C 48 ? -15.942 31.396 128.045 1 22.126  ? 48 C 1 .
ATOM 3520 O O    . ASP Cxp C 48 ? -15.825 32.547 127.682 1 21.474  ? 48 C 1 .
ATOM 3521 C CB   . ASP Cxp C 48 ? -14.498 30.761 126.18  1 23.771  ? 48 C 1 .
ATOM 3522 C CG   . ASP Cxp C 48 ? -13.235 31.26  126.859 1 24.694  ? 48 C 1 .
ATOM 3523 O OD1  . ASP Cxp C 48 ? -12.81  30.657 127.871 1 24.472  ? 48 C 1 .
ATOM 3524 O OD2  . ASP Cxp C 48 ? -12.672 32.238 126.34  1 27.018  ? 48 C 1 .
ATOM 3525 H H    . ASP Cxp C 48 ? -16.938 30.179 125.571 1 25.252  ? 48 C 1 c
ATOM 3526 H HA   . ASP Cxp C 48 ? -15.239 29.509 127.632 1 23.42   ? 48 C 1 c
ATOM 3527 H HB3  . ASP Cxp C 48 ? -14.858 31.488 125.631 1 23.831  ? 48 C 1 c
ATOM 3528 H HB2  . ASP Cxp C 48 ? -14.254 30.033 125.573 1 23.834  ? 48 C 1 c
ATOM 3529 N N    . PHE Cxp C 49 ? -16.392 31.021 129.234 1 23.428  ? 49 C 1 .
ATOM 3530 C CA   . PHE Cxp C 49 ? -16.944 31.966 130.18  1 24.262  ? 49 C 1 .
ATOM 3531 C C    . PHE Cxp C 49 ? -15.838 32.486 131.102 1 26.412  ? 49 C 1 .
ATOM 3532 O O    . PHE Cxp C 49 ? -15.918 33.615 131.578 1 24.71   ? 49 C 1 .
ATOM 3533 C CB   . PHE Cxp C 49 ? -18.082 31.294 130.957 1 23.819  ? 49 C 1 .
ATOM 3534 C CG   . PHE Cxp C 49 ? -19.298 30.806 130.169 1 23.346  ? 49 C 1 .
ATOM 3535 C CD1  . PHE Cxp C 49 ? -20.202 31.691 129.605 1 23.841  ? 49 C 1 .
ATOM 3536 C CD2  . PHE Cxp C 49 ? -19.593 29.456 130.048 1 23.708  ? 49 C 1 .
ATOM 3537 C CE1  . PHE Cxp C 49 ? -21.326 31.249 128.903 1 23.371  ? 49 C 1 .
ATOM 3538 C CE2  . PHE Cxp C 49 ? -20.723 29.023 129.353 1 23.58   ? 49 C 1 .
ATOM 3539 C CZ   . PHE Cxp C 49 ? -21.592 29.918 128.787 1 22.514  ? 49 C 1 .
ATOM 3540 H H    . PHE Cxp C 49 ? -16.357 30.138 129.467 1 23.338  ? 49 C 1 c
ATOM 3541 H HA   . PHE Cxp C 49 ? -17.322 32.735 129.676 1 24.359  ? 49 C 1 c
ATOM 3542 H HB3  . PHE Cxp C 49 ? -18.395 31.928 131.64  1 23.81   ? 49 C 1 c
ATOM 3543 H HB2  . PHE Cxp C 49 ? -17.703 30.527 131.441 1 23.808  ? 49 C 1 c
ATOM 3544 H HD1  . PHE Cxp C 49 ? -20.039 32.618 129.676 1 23.607  ? 49 C 1 c
ATOM 3545 H HD2  . PHE Cxp C 49 ? -19.011 28.819 130.432 1 23.607  ? 49 C 1 c
ATOM 3546 H HE1  . PHE Cxp C 49 ? -21.914 31.88  128.519 1 23.276  ? 49 C 1 c
ATOM 3547 H HE2  . PHE Cxp C 49 ? -20.89  28.101 129.27  1 23.355  ? 49 C 1 c
ATOM 3548 H HZ   . PHE Cxp C 49 ? -22.35  29.617 128.311 1 22.974  ? 49 C 1 c
ATOM 3549 N N    . LYS Cxp C 50 ? -14.824 31.661 131.411 1 29.428  ? 50 C 1 .
ATOM 3550 C CA   . LYS Cxp C 50 ? -13.703 32.159 132.194 1 31.241  ? 50 C 1 .
ATOM 3551 C C    . LYS Cxp C 50 ? -13.214 33.434 131.517 1 30.472  ? 50 C 1 .
ATOM 3552 O O    . LYS Cxp C 50 ? -12.938 34.43  132.177 1 31.817  ? 50 C 1 .
ATOM 3553 C CB   . LYS Cxp C 50 ? -12.536 31.18  132.369 1 33.398  ? 50 C 1 .
ATOM 3554 C CG   . LYS Cxp C 50 ? -11.433 31.661 133.332 1 36.44   ? 50 C 1 .
ATOM 3555 C CD   . LYS Cxp C 50 ? -10.272 30.7   133.585 1 41.434  ? 50 C 1 .
ATOM 3556 C CE   . LYS Cxp C 50 ? -9.488  30.409 132.319 1 49.865  ? 50 C 1 .
ATOM 3557 N NZ   . LYS Cxp C 50 ? -8.491  29.332 132.372 1 51.202  ? 50 C 1 .
ATOM 3558 H H    . LYS Cxp C 50 ? -14.834 30.788 131.142 1 28.97   ? 50 C 1 c
ATOM 3559 H HA   . LYS Cxp C 50 ? -14.042 32.399 133.093 1 31.079  ? 50 C 1 c
ATOM 3560 H HB3  . LYS Cxp C 50 ? -12.133 31.016 131.49  1 33.688  ? 50 C 1 c
ATOM 3561 H HB2  . LYS Cxp C 50 ? -12.888 30.326 132.7   1 33.578  ? 50 C 1 c
ATOM 3562 H HG3  . LYS Cxp C 50 ? -11.854 31.872 134.193 1 36.786  ? 50 C 1 c
ATOM 3563 H HG2  . LYS Cxp C 50 ? -11.067 32.5   132.979 1 36.771  ? 50 C 1 c
ATOM 3564 H HD3  . LYS Cxp C 50 ? -10.625 29.857 133.946 1 41.991  ? 50 C 1 c
ATOM 3565 H HD2  . LYS Cxp C 50 ? -9.67   31.091 134.254 1 41.991  ? 50 C 1 c
ATOM 3566 H HE3  . LYS Cxp C 50 ? -9.037  31.22  132.036 1 47.842  ? 50 C 1 c
ATOM 3567 H HE2  . LYS Cxp C 50 ? -10.12  30.183 131.615 1 47.841  ? 50 C 1 c
ATOM 3568 H HZ1  . LYS Cxp C 50 ? -8.908  28.528 132.349 1 50.787  ? 50 C 1 c
ATOM 3569 H HZ2  . LYS Cxp C 50 ? -8.011  29.397 133.137 1 50.787  ? 50 C 1 c
ATOM 3570 H HZ3  . LYS Cxp C 50 ? -7.931  29.397 131.663 1 50.787  ? 50 C 1 c
ATOM 3571 N N    . GLY Cxp C 51 ? -13.158 33.391 130.186 1 28.044  ? 51 C 1 .
ATOM 3572 C CA   . GLY Cxp C 51 ? -12.668 34.501 129.388 1 27.283  ? 51 C 1 .
ATOM 3573 C C    . GLY Cxp C 51 ? -13.642 35.674 129.338 1 25.656  ? 51 C 1 .
ATOM 3574 O O    . GLY Cxp C 51 ? -13.295 36.799 129.712 1 26.427  ? 51 C 1 .
ATOM 3575 H H    . GLY Cxp C 51 ? -13.42  32.63  129.754 1 28.441  ? 51 C 1 c
ATOM 3576 H HA3  . GLY Cxp C 51 ? -12.497 34.181 128.471 1 27.092  ? 51 C 1 c
ATOM 3577 H HA2  . GLY Cxp C 51 ? -11.809 34.807 129.763 1 27.103  ? 51 C 1 c
ATOM 3578 N N    . LYS Cxp C 52 ? -14.862 35.398 128.864 1 23.406  ? 52 C 1 .
ATOM 3579 C CA   . LYS Cxp C 52 ? -15.901 36.419 128.78  1 22.266  ? 52 C 1 .
ATOM 3580 C C    . LYS Cxp C 52 ? -15.91  37.283 130.041 1 21.651  ? 52 C 1 .
ATOM 3581 O O    . LYS Cxp C 52 ? -16.077 38.505 129.985 1 21.484  ? 52 C 1 .
ATOM 3582 C CB   . LYS Cxp C 52 ? -17.292 35.807 128.592 1 22.17   ? 52 C 1 .
ATOM 3583 C CG   . LYS Cxp C 52 ? -17.423 34.969 127.338 1 23.467  ? 52 C 1 .
ATOM 3584 C CD   . LYS Cxp C 52 ? -18.819 34.49  126.966 1 24.15   ? 52 C 1 .
ATOM 3585 C CE   . LYS Cxp C 52 ? -18.772 33.542 125.805 1 25.959  ? 52 C 1 .
ATOM 3586 N NZ   . LYS Cxp C 52 ? -20.07  33.46  125.137 1 28.245  ? 52 C 1 .
ATOM 3587 H H    . LYS Cxp C 52 ? -15.053 34.547 128.59  1 23.69   ? 52 C 1 c
ATOM 3588 H HA   . LYS Cxp C 52 ? -15.703 37.001 128.004 1 22.333  ? 52 C 1 c
ATOM 3589 H HB3  . LYS Cxp C 52 ? -17.956 36.528 128.557 1 22.48   ? 52 C 1 c
ATOM 3590 H HB2  . LYS Cxp C 52 ? -17.5   35.244 129.368 1 22.483  ? 52 C 1 c
ATOM 3591 H HG3  . LYS Cxp C 52 ? -16.848 34.187 127.436 1 23.294  ? 52 C 1 c
ATOM 3592 H HG2  . LYS Cxp C 52 ? -17.069 35.493 126.589 1 23.285  ? 52 C 1 c
ATOM 3593 H HD3  . LYS Cxp C 52 ? -19.381 35.257 126.733 1 24.454  ? 52 C 1 c
ATOM 3594 H HD2  . LYS Cxp C 52 ? -19.223 34.036 127.737 1 24.408  ? 52 C 1 c
ATOM 3595 H HE3  . LYS Cxp C 52 ? -18.52  32.656 126.12  1 26.043  ? 52 C 1 c
ATOM 3596 H HE2  . LYS Cxp C 52 ? -18.1   33.84  125.17  1 26.008  ? 52 C 1 c
ATOM 3597 H HZ1  . LYS Cxp C 52 ? -20.275 34.26  124.765 1 27.494  ? 52 C 1 c
ATOM 3598 H HZ2  . LYS Cxp C 52 ? -20.711 33.238 125.738 1 27.495  ? 52 C 1 c
ATOM 3599 H HZ3  . LYS Cxp C 52 ? -20.04  32.829 124.488 1 27.511  ? 52 C 1 c
ATOM 3600 N N    . ALA Cxp C 53 ? -15.727 36.618 131.184 1 20.807  ? 53 C 1 .
ATOM 3601 C CA   . ALA Cxp C 53 ? -15.624 37.293 132.462 1 20.125  ? 53 C 1 .
ATOM 3602 C C    . ALA Cxp C 53 ? -14.397 38.193 132.471 1 20.123  ? 53 C 1 .
ATOM 3603 O O    . ALA Cxp C 53 ? -14.51  39.409 132.661 1 18.701  ? 53 C 1 .
ATOM 3604 C CB   . ALA Cxp C 53 ? -15.547 36.253 133.544 1 19.548  ? 53 C 1 .
ATOM 3605 H H    . ALA Cxp C 53 ? -15.687 35.706 131.168 1 20.879  ? 53 C 1 c
ATOM 3606 H HA   . ALA Cxp C 53 ? -16.436 37.856 132.594 1 20.154  ? 53 C 1 c
ATOM 3607 H HB3  . ALA Cxp C 53 ? -15.306 36.675 134.386 1 19.738  ? 53 C 1 c
ATOM 3608 H HB2  . ALA Cxp C 53 ? -14.877 35.589 133.316 1 19.794  ? 53 C 1 c
ATOM 3609 H HB1  . ALA Cxp C 53 ? -16.41  35.818 133.64  1 19.737  ? 53 C 1 c
ATOM 3610 N N    . LYS Cxp C 54 ? -13.236 37.548 132.275 1 20.962  ? 54 C 1 .
ATOM 3611 C CA   . LYS Cxp C 54 ? -11.96  38.237 132.208 1 21.519  ? 54 C 1 .
ATOM 3612 C C    . LYS Cxp C 54 ? -12.151 39.429 131.275 1 20.18   ? 54 C 1 .
ATOM 3613 O O    . LYS Cxp C 54 ? -11.702 40.536 131.591 1 18.733  ? 54 C 1 .
ATOM 3614 C CB   . LYS Cxp C 54 ? -10.825 37.322 131.724 1 23.522  ? 54 C 1 .
ATOM 3615 C CG   . LYS Cxp C 54 ? -10.046 36.414 132.678 1 24.968  ? 54 C 1 .
ATOM 3616 C CD   . LYS Cxp C 54 ? -9.063  35.602 131.827 1 29.946  ? 54 C 1 .
ATOM 3617 C CE   . LYS Cxp C 54 ? -7.908  34.821 132.444 1 36.647  ? 54 C 1 .
ATOM 3618 N NZ   . LYS Cxp C 54 ? -8.069  33.358 132.532 1 39.607  ? 54 C 1 .
ATOM 3619 H H    . LYS Cxp C 54 ? -13.244 36.64  132.173 1 20.894  ? 54 C 1 c
ATOM 3620 H HA   . LYS Cxp C 54 ? -11.739 38.574 133.114 1 21.502  ? 54 C 1 c
ATOM 3621 H HB3  . LYS Cxp C 54 ? -10.168 37.899 131.279 1 23.375  ? 54 C 1 c
ATOM 3622 H HB2  . LYS Cxp C 54 ? -11.203 36.745 131.027 1 23.42   ? 54 C 1 c
ATOM 3623 H HG3  . LYS Cxp C 54 ? -10.666 35.814 133.146 1 25.663  ? 54 C 1 c
ATOM 3624 H HG2  . LYS Cxp C 54 ? -9.557  36.961 133.332 1 25.663  ? 54 C 1 c
ATOM 3625 H HD3  . LYS Cxp C 54 ? -8.68   36.22  131.168 1 29.987  ? 54 C 1 c
ATOM 3626 H HD2  . LYS Cxp C 54 ? -9.602  34.968 131.306 1 30.063  ? 54 C 1 c
ATOM 3627 H HE3  . LYS Cxp C 54 ? -7.755  35.163 133.343 1 35.653  ? 54 C 1 c
ATOM 3628 H HE2  . LYS Cxp C 54 ? -7.104  35.007 131.926 1 35.653  ? 54 C 1 c
ATOM 3629 H HZ1  . LYS Cxp C 54 ? -8.121  33.016 131.695 1 38.76   ? 54 C 1 c
ATOM 3630 H HZ2  . LYS Cxp C 54 ? -8.826  33.165 132.99  1 38.742  ? 54 C 1 c
ATOM 3631 H HZ3  . LYS Cxp C 54 ? -7.358  32.994 132.96  1 38.702  ? 54 C 1 c
ATOM 3632 N N    . TRP Cxp C 55 ? -12.846 39.189 130.144 1 19.414  ? 55 C 1 .
ATOM 3633 C CA   . TRP Cxp C 55 ? -13.014 40.221 129.131 1 19.042  ? 55 C 1 .
ATOM 3634 C C    . TRP Cxp C 55 ? -13.835 41.362 129.721 1 18.358  ? 55 C 1 .
ATOM 3635 O O    . TRP Cxp C 55 ? -13.322 42.465 129.897 1 16.499  ? 55 C 1 .
ATOM 3636 C CB   . TRP Cxp C 55 ? -13.645 39.671 127.842 1 18.959  ? 55 C 1 .
ATOM 3637 C CG   . TRP Cxp C 55 ? -13.581 40.639 126.686 1 19.174  ? 55 C 1 .
ATOM 3638 C CD1  . TRP Cxp C 55 ? -12.566 40.734 125.786 1 19.157  ? 55 C 1 .
ATOM 3639 C CD2  . TRP Cxp C 55 ? -14.536 41.655 126.298 1 19.371  ? 55 C 1 .
ATOM 3640 N NE1  . TRP Cxp C 55 ? -12.811 41.731 124.879 1 18.985  ? 55 C 1 .
ATOM 3641 C CE2  . TRP Cxp C 55 ? -14.007 42.315 125.167 1 19.412  ? 55 C 1 .
ATOM 3642 C CE3  . TRP Cxp C 55 ? -15.769 42.08  126.786 1 19.108  ? 55 C 1 .
ATOM 3643 C CZ2  . TRP Cxp C 55 ? -14.65  43.366 124.526 1 19.744  ? 55 C 1 .
ATOM 3644 C CZ3  . TRP Cxp C 55 ? -16.41  43.11  126.144 1 19.391  ? 55 C 1 .
ATOM 3645 C CH2  . TRP Cxp C 55 ? -15.867 43.737 125.028 1 19.745  ? 55 C 1 .
ATOM 3646 H H    . TRP Cxp C 55 ? -13.206 38.363 129.996 1 19.633  ? 55 C 1 c
ATOM 3647 H HA   . TRP Cxp C 55 ? -12.112 40.574 128.903 1 18.96   ? 55 C 1 c
ATOM 3648 H HB3  . TRP Cxp C 55 ? -14.583 39.447 128.019 1 19.029  ? 55 C 1 c
ATOM 3649 H HB2  . TRP Cxp C 55 ? -13.176 38.846 127.593 1 19.027  ? 55 C 1 c
ATOM 3650 H HD1  . TRP Cxp C 55 ? -11.79  40.197 125.788 1 19.124  ? 55 C 1 c
ATOM 3651 H HE1  . TRP Cxp C 55 ? -12.282 41.956 124.222 1 19.13   ? 55 C 1 c
ATOM 3652 H HE3  . TRP Cxp C 55 ? -16.156 41.664 127.538 1 19.241  ? 55 C 1 c
ATOM 3653 H HZ2  . TRP Cxp C 55 ? -14.28  43.782 123.766 1 19.657  ? 55 C 1 c
ATOM 3654 H HZ3  . TRP Cxp C 55 ? -17.246 43.401 126.469 1 19.407  ? 55 C 1 c
ATOM 3655 H HH2  . TRP Cxp C 55 ? -16.336 44.445 124.623 1 19.653  ? 55 C 1 c
ATOM 3656 N N    . ASP Cxp C 56 ? -15.078 41.042 130.098 1 18.118  ? 56 C 1 .
ATOM 3657 C CA   . ASP Cxp C 56 ? -15.984 42.014 130.671 1 18.565  ? 56 C 1 .
ATOM 3658 C C    . ASP Cxp C 56 ? -15.304 42.844 131.753 1 18.314  ? 56 C 1 .
ATOM 3659 O O    . ASP Cxp C 56 ? -15.634 44.009 131.908 1 19.35   ? 56 C 1 .
ATOM 3660 C CB   . ASP Cxp C 56 ? -17.175 41.351 131.33  1 19.336  ? 56 C 1 .
ATOM 3661 C CG   . ASP Cxp C 56 ? -18.106 40.614 130.394 1 18.574  ? 56 C 1 .
ATOM 3662 O OD1  . ASP Cxp C 56 ? -18.48  41.208 129.378 1 18.829  ? 56 C 1 .
ATOM 3663 O OD2  . ASP Cxp C 56 ? -18.428 39.47  130.707 1 18.169  ? 56 C 1 .
ATOM 3664 H H    . ASP Cxp C 56 ? -15.364 40.179 130.002 1 18.32   ? 56 C 1 c
ATOM 3665 H HA   . ASP Cxp C 56 ? -16.298 42.613 129.956 1 18.571  ? 56 C 1 c
ATOM 3666 H HB3  . ASP Cxp C 56 ? -17.7   42.035 131.797 1 18.974  ? 56 C 1 c
ATOM 3667 H HB2  . ASP Cxp C 56 ? -16.847 40.715 132     1 18.971  ? 56 C 1 c
ATOM 3668 N N    . ALA Cxp C 57 ? -14.377 42.247 132.499 1 17.31   ? 57 C 1 .
ATOM 3669 C CA   . ALA Cxp C 57 ? -13.732 42.94  133.596 1 17.479  ? 57 C 1 .
ATOM 3670 C C    . ALA Cxp C 57 ? -12.828 44.086 133.128 1 18.075  ? 57 C 1 .
ATOM 3671 O O    . ALA Cxp C 57 ? -12.917 45.207 133.632 1 17.797  ? 57 C 1 .
ATOM 3672 C CB   . ALA Cxp C 57 ? -12.959 41.924 134.393 1 17.873  ? 57 C 1 .
ATOM 3673 H H    . ALA Cxp C 57 ? -14.152 41.377 132.334 1 17.601  ? 57 C 1 c
ATOM 3674 H HA   . ALA Cxp C 57 ? -14.444 43.328 134.177 1 17.637  ? 57 C 1 c
ATOM 3675 H HB3  . ALA Cxp C 57 ? -12.689 42.312 135.242 1 17.759  ? 57 C 1 c
ATOM 3676 H HB2  . ALA Cxp C 57 ? -12.167 41.654 133.899 1 17.773  ? 57 C 1 c
ATOM 3677 H HB1  . ALA Cxp C 57 ? -13.515 41.145 134.559 1 17.756  ? 57 C 1 c
ATOM 3678 N N    . TRP Cxp C 58 ? -11.914 43.785 132.198 1 18.869  ? 58 C 1 .
ATOM 3679 C CA   . TRP Cxp C 58 ? -11.012 44.778 131.624 1 19.469  ? 58 C 1 .
ATOM 3680 C C    . TRP Cxp C 58 ? -11.807 45.823 130.835 1 19.942  ? 58 C 1 .
ATOM 3681 O O    . TRP Cxp C 58 ? -11.381 46.969 130.663 1 19.306  ? 58 C 1 .
ATOM 3682 C CB   . TRP Cxp C 58 ? -9.988  44.031 130.755 1 19.317  ? 58 C 1 .
ATOM 3683 C CG   . TRP Cxp C 58 ? -9.05   44.862 129.918 1 19.371  ? 58 C 1 .
ATOM 3684 C CD1  . TRP Cxp C 58 ? -8.695  46.171 130.044 1 19.798  ? 58 C 1 .
ATOM 3685 C CD2  . TRP Cxp C 58 ? -8.338  44.374 128.763 1 19.094  ? 58 C 1 .
ATOM 3686 N NE1  . TRP Cxp C 58 ? -7.823  46.531 129.048 1 20.585  ? 58 C 1 .
ATOM 3687 C CE2  . TRP Cxp C 58 ? -7.579  45.448 128.252 1 19.792  ? 58 C 1 .
ATOM 3688 C CE3  . TRP Cxp C 58 ? -8.273  43.137 128.125 1 18.409  ? 58 C 1 .
ATOM 3689 C CZ2  . TRP Cxp C 58 ? -6.764  45.325 127.135 1 19.729  ? 58 C 1 .
ATOM 3690 C CZ3  . TRP Cxp C 58 ? -7.476  43.02  127.018 1 19.138  ? 58 C 1 .
ATOM 3691 C CH2  . TRP Cxp C 58 ? -6.74   44.099 126.526 1 19.692  ? 58 C 1 .
ATOM 3692 H H    . TRP Cxp C 58 ? -11.849 42.92  131.911 1 18.786  ? 58 C 1 c
ATOM 3693 H HA   . TRP Cxp C 58 ? -10.529 45.232 132.362 1 19.416  ? 58 C 1 c
ATOM 3694 H HB3  . TRP Cxp C 58 ? -10.479 43.427 130.158 1 19.356  ? 58 C 1 c
ATOM 3695 H HB2  . TRP Cxp C 58 ? -9.452  43.456 131.343 1 19.343  ? 58 C 1 c
ATOM 3696 H HD1  . TRP Cxp C 58 ? -9.008  46.752 130.715 1 19.985  ? 58 C 1 c
ATOM 3697 H HE1  . TRP Cxp C 58 ? -7.467  47.322 128.951 1 20.191  ? 58 C 1 c
ATOM 3698 H HE3  . TRP Cxp C 58 ? -8.77   42.403 128.445 1 18.758  ? 58 C 1 c
ATOM 3699 H HZ2  . TRP Cxp C 58 ? -6.273  46.055 126.801 1 19.803  ? 58 C 1 c
ATOM 3700 H HZ3  . TRP Cxp C 58 ? -7.423  42.189 126.576 1 19.099  ? 58 C 1 c
ATOM 3701 H HH2  . TRP Cxp C 58 ? -6.197  43.977 125.768 1 19.564  ? 58 C 1 c
ATOM 3702 N N    . ASN Cxp C 59 ? -12.989 45.408 130.37  1 20.172  ? 59 C 1 .
ATOM 3703 C CA   . ASN Cxp C 59 ? -13.875 46.275 129.622 1 19.706  ? 59 C 1 .
ATOM 3704 C C    . ASN Cxp C 59 ? -14.451 47.352 130.524 1 20.305  ? 59 C 1 .
ATOM 3705 O O    . ASN Cxp C 59 ? -14.339 48.522 130.22  1 20.831  ? 59 C 1 .
ATOM 3706 C CB   . ASN Cxp C 59 ? -15.001 45.491 128.979 1 19.559  ? 59 C 1 .
ATOM 3707 C CG   . ASN Cxp C 59 ? -15.619 46.298 127.875 1 19.718  ? 59 C 1 .
ATOM 3708 O OD1  . ASN Cxp C 59 ? -14.912 46.766 126.99  1 21.676  ? 59 C 1 .
ATOM 3709 N ND2  . ASN Cxp C 59 ? -16.918 46.507 127.906 1 20.118  ? 59 C 1 .
ATOM 3710 H H    . ASN Cxp C 59 ? -13.244 44.541 130.506 1 19.971  ? 59 C 1 c
ATOM 3711 H HA   . ASN Cxp C 59 ? -13.356 46.705 128.906 1 19.889  ? 59 C 1 c
ATOM 3712 H HB3  . ASN Cxp C 59 ? -15.68  45.278 129.648 1 19.668  ? 59 C 1 c
ATOM 3713 H HB2  . ASN Cxp C 59 ? -14.651 44.654 128.615 1 19.639  ? 59 C 1 c
ATOM 3714 H HD21 . ASN Cxp C 59 ? -17.399 46.414 127.166 1 19.994  ? 59 C 1 c
ATOM 3715 H HD22 . ASN Cxp C 59 ? -17.31  46.741 128.666 1 19.994  ? 59 C 1 c
ATOM 3716 N N    . GLN Cxp C 60 ? -15.05  46.964 131.638 1 22.343  ? 60 C 1 .
ATOM 3717 C CA   . GLN Cxp C 60 ? -15.468 47.942 132.618 1 27.728  ? 60 C 1 .
ATOM 3718 C C    . GLN Cxp C 60 ? -14.413 49.037 132.781 1 27.314  ? 60 C 1 .
ATOM 3719 O O    . GLN Cxp C 60 ? -14.759 50.18  133.023 1 27.343  ? 60 C 1 .
ATOM 3720 C CB   . GLN Cxp C 60 ? -15.713 47.262 133.965 1 36.461  ? 60 C 1 .
ATOM 3721 C CG   . GLN Cxp C 60 ? -17.021 46.475 134.042 1 44.574  ? 60 C 1 .
ATOM 3722 C CD   . GLN Cxp C 60 ? -18.261 47.354 134.027 1 56.586  ? 60 C 1 .
ATOM 3723 O OE1  . GLN Cxp C 60 ? -18.563 48.08  134.983 1 64.55   ? 60 C 1 .
ATOM 3724 N NE2  . GLN Cxp C 60 ? -19.011 47.302 132.935 1 63.006  ? 60 C 1 .
ATOM 3725 H H    . GLN Cxp C 60 ? -15.203 46.077 131.795 1 23.042  ? 60 C 1 c
ATOM 3726 H HA   . GLN Cxp C 60 ? -16.31  48.357 132.304 1 27.963  ? 60 C 1 c
ATOM 3727 H HB3  . GLN Cxp C 60 ? -15.716 47.947 134.665 1 35.764  ? 60 C 1 c
ATOM 3728 H HB2  . GLN Cxp C 60 ? -14.967 46.655 134.149 1 35.687  ? 60 C 1 c
ATOM 3729 H HG3  . GLN Cxp C 60 ? -17.026 45.94  134.864 1 44.933  ? 60 C 1 c
ATOM 3730 H HG2  . GLN Cxp C 60 ? -17.067 45.853 133.284 1 44.675  ? 60 C 1 c
ATOM 3731 H HE21 . GLN Cxp C 60 ? -19.895 47.298 133.006 1 60.956  ? 60 C 1 c
ATOM 3732 H HE22 . GLN Cxp C 60 ? -18.628 47.271 132.136 1 60.956  ? 60 C 1 c
ATOM 3733 N N    . LEU Cxp C 61 ? -13.126 48.706 132.643 1 28.255  ? 61 C 1 .
ATOM 3734 C CA   . LEU Cxp C 61 ? -12.04  49.635 132.948 1 28.831  ? 61 C 1 .
ATOM 3735 C C    . LEU Cxp C 61 ? -11.646 50.605 131.817 1 31.157  ? 61 C 1 .
ATOM 3736 O O    . LEU Cxp C 61 ? -10.872 51.527 132.09  1 31.233  ? 61 C 1 .
ATOM 3737 C CB   . LEU Cxp C 61 ? -10.811 48.818 133.344 1 27.292  ? 61 C 1 .
ATOM 3738 C CG   . LEU Cxp C 61 ? -10.885 48.053 134.661 1 25.515  ? 61 C 1 .
ATOM 3739 C CD1  . LEU Cxp C 61 ? -9.734  47.107 134.757 1 25.411  ? 61 C 1 .
ATOM 3740 C CD2  . LEU Cxp C 61 ? -10.804 49.011 135.81  1 25.96   ? 61 C 1 .
ATOM 3741 H H    . LEU Cxp C 61 ? -12.91  47.86  132.375 1 27.974  ? 61 C 1 c
ATOM 3742 H HA   . LEU Cxp C 61 ? -12.319 50.181 133.726 1 28.787  ? 61 C 1 c
ATOM 3743 H HB3  . LEU Cxp C 61 ? -10.038 49.428 133.386 1 27.224  ? 61 C 1 c
ATOM 3744 H HB2  . LEU Cxp C 61 ? -10.626 48.174 132.623 1 27.142  ? 61 C 1 c
ATOM 3745 H HG   . LEU Cxp C 61 ? -11.738 47.549 134.703 1 25.905  ? 61 C 1 c
ATOM 3746 H HD11 . LEU Cxp C 61 ? -9.797  46.447 134.049 1 25.26   ? 61 C 1 c
ATOM 3747 H HD12 . LEU Cxp C 61 ? -9.751  46.66  135.619 1 25.342  ? 61 C 1 c
ATOM 3748 H HD13 . LEU Cxp C 61 ? -8.9    47.599 134.666 1 25.388  ? 61 C 1 c
ATOM 3749 H HD21 . LEU Cxp C 61 ? -11.583 49.593 135.805 1 25.861  ? 61 C 1 c
ATOM 3750 H HD22 . LEU Cxp C 61 ? -9.999  49.55  135.729 1 25.842  ? 61 C 1 c
ATOM 3751 H HD23 . LEU Cxp C 61 ? -10.778 48.516 136.646 1 25.83   ? 61 C 1 c
ATOM 3752 N N    . LYS Cxp C 62 ? -12.081 50.398 130.561 1 31.845  ? 62 C 1 .
ATOM 3753 C CA   . LYS Cxp C 62 ? -11.769 51.336 129.492 1 34.459  ? 62 C 1 .
ATOM 3754 C C    . LYS Cxp C 62 ? -11.875 52.779 129.984 1 35.714  ? 62 C 1 .
ATOM 3755 O O    . LYS Cxp C 62 ? -12.77  53.122 130.751 1 38.328  ? 62 C 1 .
ATOM 3756 C CB   . LYS Cxp C 62 ? -12.732 51.235 128.307 1 36.466  ? 62 C 1 .
ATOM 3757 C CG   . LYS Cxp C 62 ? -12.739 52.459 127.384 1 37.96   ? 62 C 1 .
ATOM 3758 C CD   . LYS Cxp C 62 ? -13.484 52.275 126.068 1 41.66   ? 62 C 1 .
ATOM 3759 C CE   . LYS Cxp C 62 ? -12.872 51.169 125.257 1 46.105  ? 62 C 1 .
ATOM 3760 N NZ   . LYS Cxp C 62 ? -13.277 51.194 123.851 1 49.895  ? 62 C 1 .
ATOM 3761 H H    . LYS Cxp C 62 ? -12.579 49.656 130.369 1 32.217  ? 62 C 1 c
ATOM 3762 H HA   . LYS Cxp C 62 ? -10.846 51.161 129.182 1 34.524  ? 62 C 1 c
ATOM 3763 H HB3  . LYS Cxp C 62 ? -13.641 51.1   128.651 1 36.35   ? 62 C 1 c
ATOM 3764 H HB2  . LYS Cxp C 62 ? -12.493 50.445 127.779 1 36.436  ? 62 C 1 c
ATOM 3765 H HG3  . LYS Cxp C 62 ? -11.81  52.702 127.185 1 38.377  ? 62 C 1 c
ATOM 3766 H HG2  . LYS Cxp C 62 ? -13.145 53.211 127.868 1 38.4    ? 62 C 1 c
ATOM 3767 H HD3  . LYS Cxp C 62 ? -13.45  53.111 125.554 1 41.8    ? 62 C 1 c
ATOM 3768 H HD2  . LYS Cxp C 62 ? -14.424 52.06  126.252 1 41.767  ? 62 C 1 c
ATOM 3769 H HE3  . LYS Cxp C 62 ? -13.129 50.31  125.637 1 45.724  ? 62 C 1 c
ATOM 3770 H HE2  . LYS Cxp C 62 ? -11.902 51.239 125.301 1 45.582  ? 62 C 1 c
ATOM 3771 H HZ1  . LYS Cxp C 62 ? -13.042 51.985 123.478 1 48.647  ? 62 C 1 c
ATOM 3772 H HZ2  . LYS Cxp C 62 ? -14.175 51.09  123.79  1 48.685  ? 62 C 1 c
ATOM 3773 H HZ3  . LYS Cxp C 62 ? -12.869 50.52  123.403 1 48.685  ? 62 C 1 c
ATOM 3774 N N    . GLY Cxp C 63 ? -10.961 53.627 129.512 1 36.911  ? 63 C 1 .
ATOM 3775 C CA   . GLY Cxp C 63 ? -10.937 55.025 129.892 1 39.956  ? 63 C 1 .
ATOM 3776 C C    . GLY Cxp C 63 ? -10.063 55.282 131.116 1 39.573  ? 63 C 1 .
ATOM 3777 O O    . GLY Cxp C 63 ? -9.82   56.437 131.471 1 44.509  ? 63 C 1 .
ATOM 3778 H H    . GLY Cxp C 63 ? -10.322 53.32  128.937 1 37.178  ? 63 C 1 c
ATOM 3779 H HA3  . GLY Cxp C 63 ? -11.857 55.325 130.078 1 39.098  ? 63 C 1 c
ATOM 3780 H HA2  . GLY Cxp C 63 ? -10.597 55.554 129.133 1 39.117  ? 63 C 1 c
ATOM 3781 N N    . THR Cxp C 64 ? -9.583  54.211 131.749 1 36.499  ? 64 C 1 .
ATOM 3782 C CA   . THR Cxp C 64 ? -8.788  54.354 132.958 1 38.765  ? 64 C 1 .
ATOM 3783 C C    . THR Cxp C 64 ? -7.315  54.534 132.588 1 34.578  ? 64 C 1 .
ATOM 3784 O O    . THR Cxp C 64 ? -6.805  53.827 131.727 1 30.425  ? 64 C 1 .
ATOM 3785 C CB   . THR Cxp C 64 ? -9.015  53.137 133.857 1 41.44   ? 64 C 1 .
ATOM 3786 O OG1  . THR Cxp C 64 ? -10.423 53.073 134.068 1 39.785  ? 64 C 1 .
ATOM 3787 C CG2  . THR Cxp C 64 ? -8.301  53.247 135.195 1 42.204  ? 64 C 1 .
ATOM 3788 H H    . THR Cxp C 64 ? -9.743  53.373 131.423 1 37.736  ? 64 C 1 c
ATOM 3789 H HA   . THR Cxp C 64 ? -9.093  55.155 133.438 1 37.962  ? 64 C 1 c
ATOM 3790 H HB   . THR Cxp C 64 ? -8.714  52.32  133.393 1 40.623  ? 64 C 1 c
ATOM 3791 H HG1  . THR Cxp C 64 ? -10.578 53.712 134.378 0 27.59   ? 64 C 1 c
ATOM 3792 H HG21 . THR Cxp C 64 ? -8.736  52.668 135.843 1 41.964  ? 64 C 1 c
ATOM 3793 H HG22 . THR Cxp C 64 ? -8.337  54.167 135.508 1 41.949  ? 64 C 1 c
ATOM 3794 H HG23 . THR Cxp C 64 ? -7.373  52.977 135.091 1 41.936  ? 64 C 1 c
ATOM 3795 N N    . SER Cxp C 65 ? -6.622  55.461 133.264 1 32.671  ? 65 C 1 .
ATOM 3796 C CA   . SER Cxp C 65 ? -5.246  55.764 132.901 1 33.904  ? 65 C 1 .
ATOM 3797 C C    . SER Cxp C 65 ? -4.35   54.634 133.369 1 33.102  ? 65 C 1 .
ATOM 3798 O O    . SER Cxp C 65 ? -4.705  53.947 134.324 1 34.966  ? 65 C 1 .
ATOM 3799 C CB   . SER Cxp C 65 ? -4.767  57.063 133.475 1 35.127  ? 65 C 1 .
ATOM 3800 O OG   . SER Cxp C 65 ? -4.555  56.945 134.873 1 36.338  ? 65 C 1 .
ATOM 3801 H H    . SER Cxp C 65 ? -7.01   55.909 133.961 1 33.472  ? 65 C 1 c
ATOM 3802 H HA   . SER Cxp C 65 ? -5.189  55.818 131.913 1 33.722  ? 65 C 1 c
ATOM 3803 H HB3  . SER Cxp C 65 ? -5.431  57.758 133.303 1 35.126  ? 65 C 1 c
ATOM 3804 H HB2  . SER Cxp C 65 ? -3.933  57.322 133.039 1 35.126  ? 65 C 1 c
ATOM 3805 H HG   . SER Cxp C 65 ? -4.039  57.832 134.879 0 33.36   ? 65 C 1 c
ATOM 3806 N N    . LYS Cxp C 66 ? -3.189  54.487 132.721 1 32.856  ? 66 C 1 .
ATOM 3807 C CA   . LYS Cxp C 66 ? -2.246  53.459 133.113 1 36.284  ? 66 C 1 .
ATOM 3808 C C    . LYS Cxp C 66 ? -1.774  53.7   134.54  1 39.415  ? 66 C 1 .
ATOM 3809 O O    . LYS Cxp C 66 ? -1.735  52.79  135.357 1 42.084  ? 66 C 1 .
ATOM 3810 C CB   . LYS Cxp C 66 ? -1.043  53.402 132.181 1 38.091  ? 66 C 1 .
ATOM 3811 C CG   . LYS Cxp C 66 ? -1.417  52.887 130.83  1 41.01   ? 66 C 1 .
ATOM 3812 C CD   . LYS Cxp C 66 ? -0.202  52.366 130.089 1 45.609  ? 66 C 1 .
ATOM 3813 C CE   . LYS Cxp C 66 ? -0.572  51.903 128.73  1 48.303  ? 66 C 1 .
ATOM 3814 N NZ   . LYS Cxp C 66 ? 0.673   51.699 127.989 1 54.019  ? 66 C 1 .
ATOM 3815 H H    . LYS Cxp C 66 ? -2.983  55.04  132.023 1 33.689  ? 66 C 1 c
ATOM 3816 H HA   . LYS Cxp C 66 ? -2.712  52.585 133.082 1 36.461  ? 66 C 1 c
ATOM 3817 H HB3  . LYS Cxp C 66 ? -0.357  52.817 132.568 1 38.413  ? 66 C 1 c
ATOM 3818 H HB2  . LYS Cxp C 66 ? -0.661  54.301 132.085 1 38.345  ? 66 C 1 c
ATOM 3819 H HG3  . LYS Cxp C 66 ? -1.829  53.613 130.313 1 41.328  ? 66 C 1 c
ATOM 3820 H HG2  . LYS Cxp C 66 ? -2.074  52.164 130.93  1 41.24   ? 66 C 1 c
ATOM 3821 H HD3  . LYS Cxp C 66 ? 0.191   51.618 130.59  1 45.096  ? 66 C 1 c
ATOM 3822 H HD2  . LYS Cxp C 66 ? 0.468   53.08  130.018 1 45.208  ? 66 C 1 c
ATOM 3823 H HE3  . LYS Cxp C 66 ? -1.118  52.571 128.278 1 48.845  ? 66 C 1 c
ATOM 3824 H HE2  . LYS Cxp C 66 ? -1.067  51.065 128.778 1 48.925  ? 66 C 1 c
ATOM 3825 H HZ1  . LYS Cxp C 66 ? 1.225   51.151 128.454 1 52.126  ? 66 C 1 c
ATOM 3826 H HZ2  . LYS Cxp C 66 ? 1.086   52.495 127.854 1 52.088  ? 66 C 1 c
ATOM 3827 H HZ3  . LYS Cxp C 66 ? 0.49    51.322 127.186 1 52.159  ? 66 C 1 c
ATOM 3828 N N    . GLU Cxp C 67 ? -1.433  54.935 134.858 1 41.866  ? 67 C 1 .
ATOM 3829 C CA   . GLU Cxp C 67 ? -1.059  55.209 136.225 1 51.936  ? 67 C 1 .
ATOM 3830 C C    . GLU Cxp C 67 ? -2.104  54.637 137.184 1 42.83   ? 67 C 1 .
ATOM 3831 O O    . GLU Cxp C 67 ? -1.831  53.73  137.959 1 40.858  ? 67 C 1 .
ATOM 3832 C CB   . GLU Cxp C 67 ? -0.804  56.715 136.319 1 72.71   ? 67 C 1 .
ATOM 3833 C CG   . GLU Cxp C 67 ? 0.64    57.088 135.991 1 84.691  ? 67 C 1 .
ATOM 3834 C CD   . GLU Cxp C 67 ? 1.653   56.295 136.823 1 104.661 ? 67 C 1 .
ATOM 3835 O OE1  . GLU Cxp C 67 ? 1.684   56.364 138.093 1 97.096  ? 67 C 1 .
ATOM 3836 O OE2  . GLU Cxp C 67 ? 2.397   55.528 136.162 1 116.441 ? 67 C 1 .
ATOM 3837 H H    . GLU Cxp C 67 ? -1.419  55.601 134.232 1 43.549  ? 67 C 1 c
ATOM 3838 H HA   . GLU Cxp C 67 ? -0.206  54.74  136.401 1 51.346  ? 67 C 1 c
ATOM 3839 H HB3  . GLU Cxp C 67 ? -1.009  57.014 137.229 1 69.41   ? 67 C 1 c
ATOM 3840 H HB2  . GLU Cxp C 67 ? -1.41   57.184 135.708 1 69.164  ? 67 C 1 c
ATOM 3841 H HG3  . GLU Cxp C 67 ? 0.774   58.045 136.158 1 85.885  ? 67 C 1 c
ATOM 3842 H HG2  . GLU Cxp C 67 ? 0.81    56.919 135.039 1 86.02   ? 67 C 1 c
ATOM 3843 N N    . ASP Cxp C 68 ? -3.316  55.169 137.11  1 40.124  ? 68 C 1 .
ATOM 3844 C CA   . ASP Cxp C 68 ? -4.381  54.72  137.981 1 41.343  ? 68 C 1 .
ATOM 3845 C C    . ASP Cxp C 68 ? -4.629  53.227 137.845 1 40.845  ? 68 C 1 .
ATOM 3846 O O    . ASP Cxp C 68 ? -5.262  52.676 138.739 1 38.358  ? 68 C 1 .
ATOM 3847 C CB   . ASP Cxp C 68 ? -5.678  55.452 137.71  1 42.09   ? 68 C 1 .
ATOM 3848 C CG   . ASP Cxp C 68 ? -5.585  56.924 138.05  1 44.088  ? 68 C 1 .
ATOM 3849 O OD1  . ASP Cxp C 68 ? -5.031  57.218 139.125 1 45.088  ? 68 C 1 .
ATOM 3850 O OD2  . ASP Cxp C 68 ? -6.037  57.748 137.23  1 46.965  ? 68 C 1 .
ATOM 3851 H H    . ASP Cxp C 68 ? -3.488  55.825 136.497 1 41.25   ? 68 C 1 c
ATOM 3852 H HA   . ASP Cxp C 68 ? -4.114  54.904 138.91  1 41.184  ? 68 C 1 c
ATOM 3853 H HB3  . ASP Cxp C 68 ? -6.398  55.054 138.244 1 42.344  ? 68 C 1 c
ATOM 3854 H HB2  . ASP Cxp C 68 ? -5.909  55.361 136.762 1 42.389  ? 68 C 1 c
ATOM 3855 N N    . ALA Cxp C 69 ? -4.188  52.613 136.728 1 41.849  ? 69 C 1 .
ATOM 3856 C CA   . ALA Cxp C 69 ? -4.269  51.164 136.563 1 38.083  ? 69 C 1 .
ATOM 3857 C C    . ALA Cxp C 69 ? -3.262  50.537 137.517 1 40.356  ? 69 C 1 .
ATOM 3858 O O    . ALA Cxp C 69 ? -3.642  49.946 138.513 1 46.696  ? 69 C 1 .
ATOM 3859 C CB   . ALA Cxp C 69 ? -4.051  50.703 135.117 1 34.958  ? 69 C 1 .
ATOM 3860 H H    . ALA Cxp C 69 ? -3.865  53.114 136.036 1 40.698  ? 69 C 1 c
ATOM 3861 H HA   . ALA Cxp C 69 ? -5.179  50.877 136.851 1 38.655  ? 69 C 1 c
ATOM 3862 H HB3  . ALA Cxp C 69 ? -4.312  49.771 135.029 1 35.807  ? 69 C 1 c
ATOM 3863 H HB2  . ALA Cxp C 69 ? -3.116  50.797 134.877 1 35.877  ? 69 C 1 c
ATOM 3864 H HB1  . ALA Cxp C 69 ? -4.592  51.244 134.517 1 35.84   ? 69 C 1 c
ATOM 3865 N N    . MET Cxp C 70 ? -1.975  50.778 137.27  1 43.27   ? 70 C 1 .
ATOM 3866 C CA   . MET Cxp C 70 ? -0.905  50.24  138.099 1 44.233  ? 70 C 1 .
ATOM 3867 C C    . MET Cxp C 70 ? -1.213  50.449 139.584 1 43.678  ? 70 C 1 .
ATOM 3868 O O    . MET Cxp C 70 ? -1.313  49.492 140.339 1 45.324  ? 70 C 1 .
ATOM 3869 C CB   . MET Cxp C 70 ? 0.434   50.886 137.718 1 44.517  ? 70 C 1 .
ATOM 3870 C CG   . MET Cxp C 70 ? 0.845   50.57  136.309 1 43.643  ? 70 C 1 .
ATOM 3871 S SD   . MET Cxp C 70 ? 2.588   50.903 136.02  1 44.417  ? 70 C 1 .
ATOM 3872 C CE   . MET Cxp C 70 ? 2.36    52.2   134.802 1 47.792  ? 70 C 1 .
ATOM 3873 H H    . MET Cxp C 70 ? -1.754  51.316 136.565 1 42.651  ? 70 C 1 c
ATOM 3874 H HA   . MET Cxp C 70 ? -0.854  49.266 137.93  1 43.926  ? 70 C 1 c
ATOM 3875 H HB3  . MET Cxp C 70 ? 1.127   50.569 138.336 1 44.208  ? 70 C 1 c
ATOM 3876 H HB2  . MET Cxp C 70 ? 0.359   51.859 137.822 1 44.242  ? 70 C 1 c
ATOM 3877 H HG3  . MET Cxp C 70 ? 0.314   51.105 135.688 1 43.99   ? 70 C 1 c
ATOM 3878 H HG2  . MET Cxp C 70 ? 0.667   49.627 136.122 1 43.854  ? 70 C 1 c
ATOM 3879 H HE3  . MET Cxp C 70 ? 1.845   52.928 135.196 1 46.92   ? 70 C 1 c
ATOM 3880 H HE2  . MET Cxp C 70 ? 1.88    51.842 134.032 1 46.904  ? 70 C 1 c
ATOM 3881 H HE1  . MET Cxp C 70 ? 3.23    52.534 134.517 1 46.92   ? 70 C 1 c
ATOM 3882 N N    . LYS Cxp C 71 ? -1.399  51.691 140.013 1 44.639  ? 71 C 1 .
ATOM 3883 C CA   . LYS Cxp C 71 ? -1.512  51.961 141.432 1 47.35   ? 71 C 1 .
ATOM 3884 C C    . LYS Cxp C 71 ? -2.56   51.035 142.035 1 39.851  ? 71 C 1 .
ATOM 3885 O O    . LYS Cxp C 71 ? -2.279  50.29  142.967 1 38.815  ? 71 C 1 .
ATOM 3886 C CB   . LYS Cxp C 71 ? -1.805  53.447 141.633 1 61.619  ? 71 C 1 .
ATOM 3887 C CG   . LYS Cxp C 71 ? -0.691  54.348 141.087 1 73.83   ? 71 C 1 .
ATOM 3888 C CD   . LYS Cxp C 71 ? -0.831  55.829 141.416 1 81.228  ? 71 C 1 .
ATOM 3889 C CE   . LYS Cxp C 71 ? -0.796  56.099 142.896 1 81.061  ? 71 C 1 .
ATOM 3890 N NZ   . LYS Cxp C 71 ? -0.763  57.541 143.156 1 76.904  ? 71 C 1 .
ATOM 3891 H H    . LYS Cxp C 71 ? -1.471  52.377 139.414 1 45.418  ? 71 C 1 c
ATOM 3892 H HA   . LYS Cxp C 71 ? -0.638  51.757 141.854 1 47.549  ? 71 C 1 c
ATOM 3893 H HB3  . LYS Cxp C 71 ? -1.917  53.624 142.591 1 60.661  ? 71 C 1 c
ATOM 3894 H HB2  . LYS Cxp C 71 ? -2.646  53.674 141.182 1 60.5    ? 71 C 1 c
ATOM 3895 H HG3  . LYS Cxp C 71 ? -0.659  54.247 140.112 1 71.709  ? 71 C 1 c
ATOM 3896 H HG2  . LYS Cxp C 71 ? 0.166   54.026 141.442 1 72.273  ? 71 C 1 c
ATOM 3897 H HD3  . LYS Cxp C 71 ? -1.68   56.16  141.05  1 79.451  ? 71 C 1 c
ATOM 3898 H HD2  . LYS Cxp C 71 ? -0.101  56.324 140.983 1 79.451  ? 71 C 1 c
ATOM 3899 H HE3  . LYS Cxp C 71 ? -0.006  55.685 143.289 1 80.045  ? 71 C 1 c
ATOM 3900 H HE2  . LYS Cxp C 71 ? -1.586  55.721 143.322 1 79.836  ? 71 C 1 c
ATOM 3901 H HZ1  . LYS Cxp C 71 ? -1.316  57.972 142.582 1 78.178  ? 71 C 1 c
ATOM 3902 H HZ2  . LYS Cxp C 71 ? 0.081   57.852 143.045 1 78.163  ? 71 C 1 c
ATOM 3903 H HZ3  . LYS Cxp C 71 ? -1.036  57.701 144.004 1 78.163  ? 71 C 1 c
ATOM 3904 N N    . SER Cxp C 72 ? -3.757  51.027 141.463 1 36.538  ? 72 C 1 .
ATOM 3905 C CA   . SER Cxp C 72 ? -4.782  50.141 141.984 1 37.892  ? 72 C 1 .
ATOM 3906 C C    . SER Cxp C 72 ? -4.278  48.697 142.013 1 35.22   ? 72 C 1 .
ATOM 3907 O O    . SER Cxp C 72 ? -4.539  48.001 142.978 1 39.549  ? 72 C 1 .
ATOM 3908 C CB   . SER Cxp C 72 ? -6.074  50.24  141.212 1 42.12   ? 72 C 1 .
ATOM 3909 O OG   . SER Cxp C 72 ? -5.873  49.836 139.869 1 57.401  ? 72 C 1 .
ATOM 3910 H H    . SER Cxp C 72 ? -3.943  51.57  140.752 1 37.734  ? 72 C 1 c
ATOM 3911 H HA   . SER Cxp C 72 ? -4.966  50.414 142.919 1 37.889  ? 72 C 1 c
ATOM 3912 H HB3  . SER Cxp C 72 ? -6.396  51.161 141.233 1 44.294  ? 72 C 1 c
ATOM 3913 H HB2  . SER Cxp C 72 ? -6.746  49.668 141.629 1 44.294  ? 72 C 1 c
ATOM 3914 H HG   . SER Cxp C 72 ? -6.404  49.799 138.977 0 21.77   ? 72 C 1 c
ATOM 3915 N N    . TYR Cxp C 73 ? -3.606  48.229 140.947 1 31.104  ? 73 C 1 .
ATOM 3916 C CA   . TYR Cxp C 73 ? -3.092  46.865 140.858 1 27.418  ? 73 C 1 .
ATOM 3917 C C    . TYR Cxp C 73 ? -2.304  46.536 142.12  1 29.698  ? 73 C 1 .
ATOM 3918 O O    . TYR Cxp C 73 ? -2.595  45.577 142.822 1 31.999  ? 73 C 1 .
ATOM 3919 C CB   . TYR Cxp C 73 ? -2.16   46.691 139.658 1 24.094  ? 73 C 1 .
ATOM 3920 C CG   . TYR Cxp C 73 ? -1.576  45.301 139.471 1 21.315  ? 73 C 1 .
ATOM 3921 C CD1  . TYR Cxp C 73 ? -2.376  44.26  139.062 1 20.791  ? 73 C 1 .
ATOM 3922 C CD2  . TYR Cxp C 73 ? -0.225  45.048 139.605 1 20.405  ? 73 C 1 .
ATOM 3923 C CE1  . TYR Cxp C 73 ? -1.86   43.002 138.827 1 20.751  ? 73 C 1 .
ATOM 3924 C CE2  . TYR Cxp C 73 ? 0.307   43.789 139.386 1 20.057  ? 73 C 1 .
ATOM 3925 C CZ   . TYR Cxp C 73 ? -0.515  42.751 139.005 1 20.186  ? 73 C 1 .
ATOM 3926 O OH   . TYR Cxp C 73 ? -0.036  41.478 138.792 1 20.342  ? 73 C 1 .
ATOM 3927 H H    . TYR Cxp C 73 ? -3.471  48.788 140.237 1 31.215  ? 73 C 1 c
ATOM 3928 H HA   . TYR Cxp C 73 ? -3.855  46.234 140.774 1 27.845  ? 73 C 1 c
ATOM 3929 H HB3  . TYR Cxp C 73 ? -1.42   47.329 139.745 1 24.265  ? 73 C 1 c
ATOM 3930 H HB2  . TYR Cxp C 73 ? -2.659  46.933 138.845 1 24.154  ? 73 C 1 c
ATOM 3931 H HD1  . TYR Cxp C 73 ? -3.3    44.409 138.936 1 20.908  ? 73 C 1 c
ATOM 3932 H HD2  . TYR Cxp C 73 ? 0.35    45.748 139.871 1 20.574  ? 73 C 1 c
ATOM 3933 H HE1  . TYR Cxp C 73 ? -2.435  42.3   138.575 1 20.7    ? 73 C 1 c
ATOM 3934 H HE2  . TYR Cxp C 73 ? 1.228   43.637 139.514 1 20.19   ? 73 C 1 c
ATOM 3935 H HH   . TYR Cxp C 73 ? -0.681  40.924 138.652 0 22.78   ? 73 C 1 c
ATOM 3936 N N    . ILE Cxp C 74 ? -1.356  47.415 142.435 1 31.305  ? 74 C 1 .
ATOM 3937 C CA   . ILE Cxp C 74 ? -0.464  47.26  143.563 1 30.867  ? 74 C 1 .
ATOM 3938 C C    . ILE Cxp C 74 ? -1.265  47.137 144.849 1 35.287  ? 74 C 1 .
ATOM 3939 O O    . ILE Cxp C 74 ? -1.187  46.087 145.474 1 43.902  ? 74 C 1 .
ATOM 3940 C CB   . ILE Cxp C 74 ? 0.505   48.436 143.655 1 28.396  ? 74 C 1 .
ATOM 3941 C CG1  . ILE Cxp C 74 ? 1.338   48.566 142.406 1 29.54   ? 74 C 1 .
ATOM 3942 C CG2  . ILE Cxp C 74 ? 1.366   48.271 144.893 1 28.146  ? 74 C 1 .
ATOM 3943 C CD1  . ILE Cxp C 74 ? 2.038   49.901 142.27  1 30.945  ? 74 C 1 .
ATOM 3944 H H    . ILE Cxp C 74 ? -1.277  48.167 141.922 1 30.663  ? 74 C 1 c
ATOM 3945 H HA   . ILE Cxp C 74 ? 0.054   46.441 143.437 1 31.29   ? 74 C 1 c
ATOM 3946 H HB   . ILE Cxp C 74 ? -0.018  49.255 143.755 1 29.12   ? 74 C 1 c
ATOM 3947 H HG12 . ILE Cxp C 74 ? 0.766   48.432 141.624 1 29.679  ? 74 C 1 c
ATOM 3948 H HG13 . ILE Cxp C 74 ? 2.013   47.857 142.405 1 29.604  ? 74 C 1 c
ATOM 3949 H HG21 . ILE Cxp C 74 ? 2.202   48.754 144.776 1 28.279  ? 74 C 1 c
ATOM 3950 H HG22 . ILE Cxp C 74 ? 1.558   47.329 145.036 1 28.301  ? 74 C 1 c
ATOM 3951 H HG23 . ILE Cxp C 74 ? 0.898   48.626 145.667 1 28.276  ? 74 C 1 c
ATOM 3952 H HD11 . ILE Cxp C 74 ? 1.446   50.616 142.572 1 30.509  ? 74 C 1 c
ATOM 3953 H HD12 . ILE Cxp C 74 ? 2.275   50.051 141.335 1 30.516  ? 74 C 1 c
ATOM 3954 H HD13 . ILE Cxp C 74 ? 2.849   49.902 142.813 1 30.504  ? 74 C 1 c
ATOM 3955 N N    . ASP Cxp C 75 ? -1.974  48.198 145.268 1 34.135  ? 75 C 1 .
ATOM 3956 C CA   . ASP Cxp C 75 ? -2.748  48.11  146.493 1 35.794  ? 75 C 1 .
ATOM 3957 C C    . ASP Cxp C 75 ? -3.286  46.689 146.607 1 34.204  ? 75 C 1 .
ATOM 3958 O O    . ASP Cxp C 75 ? -2.839  45.918 147.445 1 37.021  ? 75 C 1 .
ATOM 3959 C CB   . ASP Cxp C 75 ? -3.865  49.137 146.555 1 39.598  ? 75 C 1 .
ATOM 3960 C CG   . ASP Cxp C 75 ? -3.418  50.589 146.616 1 41.446  ? 75 C 1 .
ATOM 3961 O OD1  . ASP Cxp C 75 ? -2.204  50.802 146.862 1 40.385  ? 75 C 1 .
ATOM 3962 O OD2  . ASP Cxp C 75 ? -4.289  51.484 146.396 1 39.645  ? 75 C 1 .
ATOM 3963 H H    . ASP Cxp C 75 ? -1.983  48.973 144.783 1 34.718  ? 75 C 1 c
ATOM 3964 H HA   . ASP Cxp C 75 ? -2.143  48.274 147.251 1 35.866  ? 75 C 1 c
ATOM 3965 H HB3  . ASP Cxp C 75 ? -4.413  48.955 147.347 1 39.057  ? 75 C 1 c
ATOM 3966 H HB2  . ASP Cxp C 75 ? -4.435  49.031 145.765 1 39.011  ? 75 C 1 c
ATOM 3967 N N    . LYS Cxp C 76 ? -4.175  46.3   145.7   1 31.765  ? 76 C 1 .
ATOM 3968 C CA   . LYS Cxp C 76 ? -4.747  44.967 145.764 1 34.04   ? 76 C 1 .
ATOM 3969 C C    . LYS Cxp C 76 ? -3.671  43.916 146.051 1 33.745  ? 76 C 1 .
ATOM 3970 O O    . LYS Cxp C 76 ? -3.814  43.042 146.906 1 37.327  ? 76 C 1 .
ATOM 3971 C CB   . LYS Cxp C 76 ? -5.446  44.643 144.442 1 34.074  ? 76 C 1 .
ATOM 3972 C CG   . LYS Cxp C 76 ? -6.331  43.402 144.512 1 35.283  ? 76 C 1 .
ATOM 3973 C CD   . LYS Cxp C 76 ? -7.427  43.457 145.573 1 37.147  ? 76 C 1 .
ATOM 3974 C CE   . LYS Cxp C 76 ? -8.329  44.634 145.382 1 40.375  ? 76 C 1 .
ATOM 3975 N NZ   . LYS Cxp C 76 ? -9.365  44.584 146.413 1 43.511  ? 76 C 1 .
ATOM 3976 H H    . LYS Cxp C 76 ? -4.426  46.866 145.027 1 32.955  ? 76 C 1 c
ATOM 3977 H HA   . LYS Cxp C 76 ? -5.408  44.952 146.499 1 33.579  ? 76 C 1 c
ATOM 3978 H HB3  . LYS Cxp C 76 ? -4.767  44.503 143.748 1 34.32   ? 76 C 1 c
ATOM 3979 H HB2  . LYS Cxp C 76 ? -5.996  45.409 144.172 1 34.39   ? 76 C 1 c
ATOM 3980 H HG3  . LYS Cxp C 76 ? -5.76   42.623 144.687 1 35.407  ? 76 C 1 c
ATOM 3981 H HG2  . LYS Cxp C 76 ? -6.748  43.271 143.633 1 35.413  ? 76 C 1 c
ATOM 3982 H HD3  . LYS Cxp C 76 ? -7.02   43.501 146.465 1 37.424  ? 76 C 1 c
ATOM 3983 H HD2  . LYS Cxp C 76 ? -7.96   42.634 145.524 1 37.462  ? 76 C 1 c
ATOM 3984 H HE3  . LYS Cxp C 76 ? -8.743  44.605 144.501 1 40.309  ? 76 C 1 c
ATOM 3985 H HE2  . LYS Cxp C 76 ? -7.831  45.467 145.47  1 40.249  ? 76 C 1 c
ATOM 3986 H HZ1  . LYS Cxp C 76 ? -8.984  44.591 147.234 1 42.437  ? 76 C 1 c
ATOM 3987 H HZ2  . LYS Cxp C 76 ? -9.857  43.829 146.319 1 42.436  ? 76 C 1 c
ATOM 3988 H HZ3  . LYS Cxp C 76 ? -9.909  45.304 146.334 1 42.489  ? 76 C 1 c
ATOM 3989 N N    . VAL Cxp C 77 ? -2.58   43.98  145.306 1 31.821  ? 77 C 1 .
ATOM 3990 C CA   . VAL Cxp C 77 ? -1.529  43.009 145.502 1 30.964  ? 77 C 1 .
ATOM 3991 C C    . VAL Cxp C 77 ? -1.11   43.021 146.964 1 30.95   ? 77 C 1 .
ATOM 3992 O O    . VAL Cxp C 77 ? -0.861  41.972 147.534 1 33.14   ? 77 C 1 .
ATOM 3993 C CB   . VAL Cxp C 77 ? -0.316  43.277 144.608 1 32.595  ? 77 C 1 .
ATOM 3994 C CG1  . VAL Cxp C 77 ? 0.91    42.59  145.183 1 33.626  ? 77 C 1 .
ATOM 3995 C CG2  . VAL Cxp C 77 ? -0.568  42.87  143.159 1 33.596  ? 77 C 1 .
ATOM 3996 H H    . VAL Cxp C 77 ? -2.49   44.621 144.661 1 32.117  ? 77 C 1 c
ATOM 3997 H HA   . VAL Cxp C 77 ? -1.884  42.124 145.287 1 31.459  ? 77 C 1 c
ATOM 3998 H HB   . VAL Cxp C 77 ? -0.149  44.245 144.622 1 32.721  ? 77 C 1 c
ATOM 3999 H HG11 . VAL Cxp C 77 ? 0.684   41.682 145.445 1 33.287  ? 77 C 1 c
ATOM 4000 H HG12 . VAL Cxp C 77 ? 1.229   43.083 145.957 1 33.297  ? 77 C 1 c
ATOM 4001 H HG13 . VAL Cxp C 77 ? 1.61    42.565 144.509 1 33.309  ? 77 C 1 c
ATOM 4002 H HG21 . VAL Cxp C 77 ? 0.056   43.337 142.577 1 33.294  ? 77 C 1 c
ATOM 4003 H HG22 . VAL Cxp C 77 ? -1.478  43.102 142.909 1 33.278  ? 77 C 1 c
ATOM 4004 H HG23 . VAL Cxp C 77 ? -0.441  41.911 143.064 1 33.294  ? 77 C 1 c
ATOM 4005 N N    . GLU Cxp C 78 ? -0.987  44.209 147.552 1 31.077  ? 78 C 1 .
ATOM 4006 C CA   . GLU Cxp C 78 ? -0.659  44.34  148.966 1 34.219  ? 78 C 1 .
ATOM 4007 C C    . GLU Cxp C 78 ? -1.77   43.736 149.82  1 30.182  ? 78 C 1 .
ATOM 4008 O O    . GLU Cxp C 78 ? -1.574  43.205 150.912 1 29.601  ? 78 C 1 .
ATOM 4009 C CB   . GLU Cxp C 78 ? -0.472  45.811 149.373 1 37.925  ? 78 C 1 .
ATOM 4010 C CG   . GLU Cxp C 78 ? 0.801   46.457 148.829 1 38.07   ? 78 C 1 .
ATOM 4011 C CD   . GLU Cxp C 78 ? 1.978   45.563 149.13  1 40.541  ? 78 C 1 .
ATOM 4012 O OE1  . GLU Cxp C 78 ? 2.074   45.086 150.299 1 42.264  ? 78 C 1 .
ATOM 4013 O OE2  . GLU Cxp C 78 ? 2.735   45.286 148.175 1 42.444  ? 78 C 1 .
ATOM 4014 H H    . GLU Cxp C 78 ? -1.096  44.968 147.056 1 31.774  ? 78 C 1 c
ATOM 4015 H HA   . GLU Cxp C 78 ? 0.175   43.838 149.139 1 33.574  ? 78 C 1 c
ATOM 4016 H HB3  . GLU Cxp C 78 ? -0.453  45.866 150.351 1 37.068  ? 78 C 1 c
ATOM 4017 H HB2  . GLU Cxp C 78 ? -1.243  46.327 149.063 1 37.082  ? 78 C 1 c
ATOM 4018 H HG3  . GLU Cxp C 78 ? 0.939   47.331 149.253 1 38.595  ? 78 C 1 c
ATOM 4019 H HG2  . GLU Cxp C 78 ? 0.724   46.58  147.858 1 38.614  ? 78 C 1 c
ATOM 4020 N N    . GLU Cxp C 79 ? -2.98   43.892 149.333 1 28.321  ? 79 C 1 .
ATOM 4021 C CA   . GLU Cxp C 79 ? -4.108  43.444 150.098 1 29.915  ? 79 C 1 .
ATOM 4022 C C    . GLU Cxp C 79 ? -4.087  41.927 150.134 1 28.819  ? 79 C 1 .
ATOM 4023 O O    . GLU Cxp C 79 ? -4.503  41.323 151.11  1 27.567  ? 79 C 1 .
ATOM 4024 C CB   . GLU Cxp C 79 ? -5.34   44.024 149.417 1 33.633  ? 79 C 1 .
ATOM 4025 C CG   . GLU Cxp C 79 ? -6.602  43.923 150.26  1 37.395  ? 79 C 1 .
ATOM 4026 C CD   . GLU Cxp C 79 ? -7.638  44.876 149.699 1 42.975  ? 79 C 1 .
ATOM 4027 O OE1  . GLU Cxp C 79 ? -7.243  46.026 149.406 1 48.611  ? 79 C 1 .
ATOM 4028 O OE2  . GLU Cxp C 79 ? -8.816  44.497 149.543 1 46.839  ? 79 C 1 .
ATOM 4029 H H    . GLU Cxp C 79 ? -3.113  44.302 148.528 1 29.26   ? 79 C 1 c
ATOM 4030 H HA   . GLU Cxp C 79 ? -4.034  43.798 151.021 1 30.024  ? 79 C 1 c
ATOM 4031 H HB3  . GLU Cxp C 79 ? -5.492  43.546 148.576 1 33.587  ? 79 C 1 c
ATOM 4032 H HB2  . GLU Cxp C 79 ? -5.164  44.963 149.199 1 33.611  ? 79 C 1 c
ATOM 4033 H HG3  . GLU Cxp C 79 ? -6.404  44.165 151.19  1 37.69   ? 79 C 1 c
ATOM 4034 H HG2  . GLU Cxp C 79 ? -6.951  43.007 150.232 1 37.69   ? 79 C 1 c
ATOM 4035 N N    . LEU Cxp C 80 ? -3.675  41.33  149.017 1 30.475  ? 80 C 1 .
ATOM 4036 C CA   . LEU Cxp C 80 ? -3.783  39.895 148.833 1 32.806  ? 80 C 1 .
ATOM 4037 C C    . LEU Cxp C 80 ? -2.646  39.183 149.538 1 33.654  ? 80 C 1 .
ATOM 4038 O O    . LEU Cxp C 80 ? -2.729  37.977 149.739 1 32.73   ? 80 C 1 .
ATOM 4039 C CB   . LEU Cxp C 80 ? -3.759  39.52  147.357 1 34.244  ? 80 C 1 .
ATOM 4040 C CG   . LEU Cxp C 80 ? -4.954  39.994 146.537 1 36.947  ? 80 C 1 .
ATOM 4041 C CD1  . LEU Cxp C 80 ? -4.857  39.471 145.111 1 39.613  ? 80 C 1 .
ATOM 4042 C CD2  . LEU Cxp C 80 ? -6.233  39.549 147.224 1 39.106  ? 80 C 1 .
ATOM 4043 H H    . LEU Cxp C 80 ? -3.325  41.832 148.339 1 30.578  ? 80 C 1 c
ATOM 4044 H HA   . LEU Cxp C 80 ? -4.636  39.592 149.234 1 32.788  ? 80 C 1 c
ATOM 4045 H HB3  . LEU Cxp C 80 ? -3.708  38.539 147.291 1 34.566  ? 80 C 1 c
ATOM 4046 H HB2  . LEU Cxp C 80 ? -2.94   39.893 146.958 1 34.515  ? 80 C 1 c
ATOM 4047 H HG   . LEU Cxp C 80 ? -4.944  40.983 146.509 1 37.298  ? 80 C 1 c
ATOM 4048 H HD11 . LEU Cxp C 80 ? -4.036  39.793 144.701 1 38.807  ? 80 C 1 c
ATOM 4049 H HD12 . LEU Cxp C 80 ? -5.619  39.786 144.596 1 38.805  ? 80 C 1 c
ATOM 4050 H HD13 . LEU Cxp C 80 ? -4.854  38.499 145.12  1 38.807  ? 80 C 1 c
ATOM 4051 H HD21 . LEU Cxp C 80 ? -6.48   40.198 147.904 1 38.343  ? 80 C 1 c
ATOM 4052 H HD22 . LEU Cxp C 80 ? -6.096  38.682 147.639 1 38.255  ? 80 C 1 c
ATOM 4053 H HD23 . LEU Cxp C 80 ? -6.948  39.482 146.568 1 38.404  ? 80 C 1 c
ATOM 4054 N N    . LYS Cxp C 81 ? -1.569  39.91  149.824 1 34.243  ? 81 C 1 .
ATOM 4055 C CA   . LYS Cxp C 81 ? -0.448  39.328 150.532 1 36.195  ? 81 C 1 .
ATOM 4056 C C    . LYS Cxp C 81 ? -0.845  39.106 151.989 1 37.065  ? 81 C 1 .
ATOM 4057 O O    . LYS Cxp C 81 ? -0.798  37.984 152.497 1 37.913  ? 81 C 1 .
ATOM 4058 C CB   . LYS Cxp C 81 ? 0.748   40.266 150.401 1 38.049  ? 81 C 1 .
ATOM 4059 C CG   . LYS Cxp C 81 ? 1.448   40.14  149.067 1 41.632  ? 81 C 1 .
ATOM 4060 C CD   . LYS Cxp C 81 ? 2.173   41.416 148.649 1 46.928  ? 81 C 1 .
ATOM 4061 C CE   . LYS Cxp C 81 ? 3.041   42.001 149.71  1 50.247  ? 81 C 1 .
ATOM 4062 N NZ   . LYS Cxp C 81 ? 3.857   43.049 149.095 1 50.974  ? 81 C 1 .
ATOM 4063 H H    . LYS Cxp C 81 ? -1.524  40.784 149.563 1 34.508  ? 81 C 1 c
ATOM 4064 H HA   . LYS Cxp C 81 ? -0.228  38.454 150.119 1 36.279  ? 81 C 1 c
ATOM 4065 H HB3  . LYS Cxp C 81 ? 1.392   40.069 151.114 1 38.421  ? 81 C 1 c
ATOM 4066 H HB2  . LYS Cxp C 81 ? 0.446   41.193 150.514 1 38.505  ? 81 C 1 c
ATOM 4067 H HG3  . LYS Cxp C 81 ? 0.782   39.91  148.383 1 41.86   ? 81 C 1 c
ATOM 4068 H HG2  . LYS Cxp C 81 ? 2.094   39.403 149.118 1 41.869  ? 81 C 1 c
ATOM 4069 H HD3  . LYS Cxp C 81 ? 1.507   42.084 148.382 1 46.24   ? 81 C 1 c
ATOM 4070 H HD2  . LYS Cxp C 81 ? 2.724   41.216 147.862 1 46.371  ? 81 C 1 c
ATOM 4071 H HE3  . LYS Cxp C 81 ? 3.62    41.317 150.09  1 49.61   ? 81 C 1 c
ATOM 4072 H HE2  . LYS Cxp C 81 ? 2.499   42.389 150.42  1 49.494  ? 81 C 1 c
ATOM 4073 H HZ1  . LYS Cxp C 81 ? 3.496   43.328 148.312 1 50.576  ? 81 C 1 c
ATOM 4074 H HZ2  . LYS Cxp C 81 ? 4.688   42.729 148.942 1 50.64   ? 81 C 1 c
ATOM 4075 H HZ3  . LYS Cxp C 81 ? 3.921   43.752 149.662 1 50.641  ? 81 C 1 c
ATOM 4076 N N    . LYS Cxp C 82 ? -1.252  40.185 152.654 1 35.792  ? 82 C 1 .
ATOM 4077 C CA   . LYS Cxp C 82 ? -1.669  40.101 154.041 1 36.806  ? 82 C 1 .
ATOM 4078 C C    . LYS Cxp C 82 ? -2.717  39.003 154.236 1 39.967  ? 82 C 1 .
ATOM 4079 O O    . LYS Cxp C 82 ? -2.717  38.307 155.253 1 45.518  ? 82 C 1 .
ATOM 4080 C CB   . LYS Cxp C 82 ? -2.233  41.45  154.492 1 35.24   ? 82 C 1 .
ATOM 4081 C CG   . LYS Cxp C 82 ? -1.205  42.535 154.602 1 34.853  ? 82 C 1 .
ATOM 4082 C CD   . LYS Cxp C 82 ? -1.782  43.834 155.127 1 35.91   ? 82 C 1 .
ATOM 4083 C CE   . LYS Cxp C 82 ? -0.725  44.874 155.148 1 38.284  ? 82 C 1 .
ATOM 4084 N NZ   . LYS Cxp C 82 ? -1.142  45.978 156.014 1 41.472  ? 82 C 1 .
ATOM 4085 H H    . LYS Cxp C 82 ? -1.276  40.995 152.231 1 36.29   ? 82 C 1 c
ATOM 4086 H HA   . LYS Cxp C 82 ? -0.874  39.884 154.592 1 36.867  ? 82 C 1 c
ATOM 4087 H HB3  . LYS Cxp C 82 ? -2.663  41.339 155.366 1 35.519  ? 82 C 1 c
ATOM 4088 H HB2  . LYS Cxp C 82 ? -2.921  41.736 153.853 1 35.5    ? 82 C 1 c
ATOM 4089 H HG3  . LYS Cxp C 82 ? -0.811  42.691 153.717 1 35.192  ? 82 C 1 c
ATOM 4090 H HG2  . LYS Cxp C 82 ? -0.495  42.233 155.205 1 35.201  ? 82 C 1 c
ATOM 4091 H HD3  . LYS Cxp C 82 ? -2.127  43.699 156.037 1 36.259  ? 82 C 1 c
ATOM 4092 H HD2  . LYS Cxp C 82 ? -2.518  44.128 154.548 1 36.215  ? 82 C 1 c
ATOM 4093 H HE3  . LYS Cxp C 82 ? -0.572  45.212 154.247 1 38.434  ? 82 C 1 c
ATOM 4094 H HE2  . LYS Cxp C 82 ? 0.109   44.5   155.485 1 38.401  ? 82 C 1 c
ATOM 4095 H HZ1  . LYS Cxp C 82 ? -1.198  45.692 156.872 1 40.426  ? 82 C 1 c
ATOM 4096 H HZ2  . LYS Cxp C 82 ? -1.952  46.288 155.75  1 40.428  ? 82 C 1 c
ATOM 4097 H HZ3  . LYS Cxp C 82 ? -0.537  46.65  155.965 1 40.45   ? 82 C 1 c
ATOM 4098 N N    . LYS Cxp C 83 ? -3.626  38.865 153.268 1 37.285  ? 83 C 1 .
ATOM 4099 C CA   . LYS Cxp C 83 ? -4.773  37.991 153.42  1 33.904  ? 83 C 1 .
ATOM 4100 C C    . LYS Cxp C 83 ? -4.392  36.53  153.181 1 31.497  ? 83 C 1 .
ATOM 4101 O O    . LYS Cxp C 83 ? -4.931  35.648 153.835 1 29.312  ? 83 C 1 .
ATOM 4102 C CB   . LYS Cxp C 83 ? -5.863  38.48  152.465 1 34.842  ? 83 C 1 .
ATOM 4103 C CG   . LYS Cxp C 83 ? -7.089  37.579 152.373 1 37.717  ? 83 C 1 .
ATOM 4104 C CD   . LYS Cxp C 83 ? -8.149  38.114 151.413 1 39.011  ? 83 C 1 .
ATOM 4105 C CE   . LYS Cxp C 83 ? -9.404  37.32  151.428 1 39.636  ? 83 C 1 .
ATOM 4106 N NZ   . LYS Cxp C 83 ? -10.351 37.876 150.46  1 40.824  ? 83 C 1 .
ATOM 4107 H H    . LYS Cxp C 83 ? -3.535  39.339 152.492 1 37.058  ? 83 C 1 c
ATOM 4108 H HA   . LYS Cxp C 83 ? -5.11   38.079 154.348 1 34.33   ? 83 C 1 c
ATOM 4109 H HB3  . LYS Cxp C 83 ? -5.477  38.569 151.567 1 35.274  ? 83 C 1 c
ATOM 4110 H HB2  . LYS Cxp C 83 ? -6.155  39.372 152.752 1 35.263  ? 83 C 1 c
ATOM 4111 H HG3  . LYS Cxp C 83 ? -7.481  37.487 153.268 1 37.309  ? 83 C 1 c
ATOM 4112 H HG2  . LYS Cxp C 83 ? -6.805  36.688 152.072 1 37.242  ? 83 C 1 c
ATOM 4113 H HD3  . LYS Cxp C 83 ? -7.782  38.114 150.502 1 38.869  ? 83 C 1 c
ATOM 4114 H HD2  . LYS Cxp C 83 ? -8.356  39.043 151.654 1 38.861  ? 83 C 1 c
ATOM 4115 H HE3  . LYS Cxp C 83 ? -9.801  37.361 152.316 1 39.719  ? 83 C 1 c
ATOM 4116 H HE2  . LYS Cxp C 83 ? -9.227  36.387 151.221 1 39.515  ? 83 C 1 c
ATOM 4117 H HZ1  . LYS Cxp C 83 ? -9.992  37.848 149.628 1 40.288  ? 83 C 1 c
ATOM 4118 H HZ2  . LYS Cxp C 83 ? -10.54  38.736 150.674 1 40.408  ? 83 C 1 c
ATOM 4119 H HZ3  . LYS Cxp C 83 ? -11.117 37.392 150.469 1 40.414  ? 83 C 1 c
ATOM 4120 N N    . TYR Cxp C 84 ? -3.509  36.255 152.218 1 31.646  ? 84 C 1 .
ATOM 4121 C CA   . TYR Cxp C 84 ? -3.202  34.873 151.878 1 33.595  ? 84 C 1 .
ATOM 4122 C C    . TYR Cxp C 84 ? -1.741  34.539 152.157 1 35.918  ? 84 C 1 .
ATOM 4123 O O    . TYR Cxp C 84 ? -1.423  33.359 152.308 1 39.04   ? 84 C 1 .
ATOM 4124 C CB   . TYR Cxp C 84 ? -3.518  34.565 150.413 1 33.085  ? 84 C 1 .
ATOM 4125 C CG   . TYR Cxp C 84 ? -4.969  34.818 150.033 1 30.857  ? 84 C 1 .
ATOM 4126 C CD1  . TYR Cxp C 84 ? -6.018  34.218 150.714 1 29.645  ? 84 C 1 .
ATOM 4127 C CD2  . TYR Cxp C 84 ? -5.293  35.718 149.036 1 29.948  ? 84 C 1 .
ATOM 4128 C CE1  . TYR Cxp C 84 ? -7.34   34.473 150.388 1 27.769  ? 84 C 1 .
ATOM 4129 C CE2  . TYR Cxp C 84 ? -6.611  35.971 148.695 1 28.089  ? 84 C 1 .
ATOM 4130 C CZ   . TYR Cxp C 84 ? -7.638  35.347 149.369 1 26.739  ? 84 C 1 .
ATOM 4131 O OH   . TYR Cxp C 84 ? -8.93   35.577 149.02  1 26.829  ? 84 C 1 .
ATOM 4132 H H    . TYR Cxp C 84 ? -3.116  36.932 151.748 1 32.13   ? 84 C 1 c
ATOM 4133 H HA   . TYR Cxp C 84 ? -3.764  34.28  152.442 1 33.437  ? 84 C 1 c
ATOM 4134 H HB3  . TYR Cxp C 84 ? -3.301  33.624 150.237 1 32.742  ? 84 C 1 c
ATOM 4135 H HB2  . TYR Cxp C 84 ? -2.938  35.12  149.845 1 32.654  ? 84 C 1 c
ATOM 4136 H HD1  . TYR Cxp C 84 ? -5.826  33.612 151.411 1 29.483  ? 84 C 1 c
ATOM 4137 H HD2  . TYR Cxp C 84 ? -4.603  36.15  148.558 1 29.788  ? 84 C 1 c
ATOM 4138 H HE1  . TYR Cxp C 84 ? -8.033  34.031 150.847 1 27.98   ? 84 C 1 c
ATOM 4139 H HE2  . TYR Cxp C 84 ? -6.808  36.567 147.995 1 28.312  ? 84 C 1 c
ATOM 4140 H HH   . TYR Cxp C 84 ? -9.307  35.142 149.472 0 24.34   ? 84 C 1 c
ATOM 4141 N N    . GLY Cxp C 85 ? -0.871  35.561 152.19  1 34.981  ? 85 C 1 .
ATOM 4142 C CA   . GLY Cxp C 85 ? 0.516   35.411 152.6   1 35.866  ? 85 C 1 .
ATOM 4143 C C    . GLY Cxp C 85 ? 1.378   34.827 151.486 1 35.697  ? 85 C 1 .
ATOM 4144 O O    . GLY Cxp C 85 ? 0.878   34.064 150.665 1 34.351  ? 85 C 1 .
ATOM 4145 H H    . GLY Cxp C 85 ? -1.154  36.388 151.927 1 35.334  ? 85 C 1 c
ATOM 4146 H HA3  . GLY Cxp C 85 ? 0.556   34.821 153.389 1 35.638  ? 85 C 1 c
ATOM 4147 H HA2  . GLY Cxp C 85 ? 0.872   36.291 152.863 1 35.642  ? 85 C 1 c
ATOM 4148 N N    . ILE Cxp C 86 ? 2.68    35.153 151.53  1 36.892  ? 86 C 1 .
ATOM 4149 C CA   . ILE Cxp C 86 ? 3.654   34.717 150.536 1 38.438  ? 86 C 1 .
ATOM 4150 C C    . ILE Cxp C 86 ? 4.817   33.954 151.208 1 37.064  ? 86 C 1 .
ATOM 4151 O O    . ILE Cxp C 86 ? 5.585   33.311 150.453 1 37.439  ? 86 C 1 .
ATOM 4152 C CB   . ILE Cxp C 86 ? 4.161   35.921 149.714 1 38.709  ? 86 C 1 .
ATOM 4153 C CG1  . ILE Cxp C 86 ? 4.733   37.025 150.626 1 37.844  ? 86 C 1 .
ATOM 4154 C CG2  . ILE Cxp C 86 ? 3.063   36.433 148.769 1 40.173  ? 86 C 1 .
ATOM 4155 C CD1  . ILE Cxp C 86 ? 4.724   38.426 150.029 1 39.703  ? 86 C 1 .
ATOM 4156 O OXT  . ILE Cxp C 86 ? 4.926   34.011 152.458 1 33.706  ? 86 C 1 .
ATOM 4157 H H    . ILE Cxp C 86 ? 2.976   35.654 152.234 1 36.946  ? 86 C 1 c
ATOM 4158 H HA   . ILE Cxp C 86 ? 3.207   34.103 149.922 1 37.904  ? 86 C 1 c
ATOM 4159 H HB   . ILE Cxp C 86 ? 4.897   35.6   149.157 1 38.748  ? 86 C 1 c
ATOM 4160 H HG12 . ILE Cxp C 86 ? 5.656   36.791 150.853 1 38.454  ? 86 C 1 c
ATOM 4161 H HG13 . ILE Cxp C 86 ? 4.221   37.044 151.458 1 38.435  ? 86 C 1 c
ATOM 4162 H HG21 . ILE Cxp C 86 ? 3.467   36.931 148.039 1 39.732  ? 86 C 1 c
ATOM 4163 H HG22 . ILE Cxp C 86 ? 2.455   37.013 149.258 1 39.735  ? 86 C 1 c
ATOM 4164 H HG23 . ILE Cxp C 86 ? 2.567   35.68  148.407 1 39.723  ? 86 C 1 c
ATOM 4165 H HD11 . ILE Cxp C 86 ? 4.94    38.388 149.078 1 39.164  ? 86 C 1 c
ATOM 4166 H HD12 . ILE Cxp C 86 ? 5.389   38.975 150.488 1 39.155  ? 86 C 1 c
ATOM 4167 H HD13 . ILE Cxp C 86 ? 3.842   38.824 150.147 1 39.176  ? 86 C 1 c




data_SER
_chem_comp.id                     SER
_chem_comp.group                  peptide

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

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

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

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

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

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

data_GLN
_chem_comp.id                     GLN
_chem_comp.group                  peptide

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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