data_1yab
_entry.id                         1yab

_cell.entry_id                    1yab
_cell.length_a                    100.173
_cell.length_b                    100.173
_cell.length_c                    87.853
_cell.angle_alpha                 90
_cell.angle_beta                  90
_cell.angle_gamma                 120

_symmetry.entry_id                1yab
_symmetry.space_group_name_H-M    "P 31 2 1"
_symmetry.Int_Tables_number       152

loop_
_entity.id
_entity.type
A polymer
B polymer

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
A 1  SER ?
A 2  ASP ?
A 3  LYS ?
A 4  LEU ?
A 5  GLU ?
A 6  LEU ?
A 7  LEU ?
A 8  LEU ?
A 9  ASP ?
A 10 ILE ?
A 11 PRO ?
A 12 LEU ?
A 13 LYS ?
A 14 VAL ?
A 15 THR ?
A 16 VAL ?
A 17 GLU ?
A 18 LEU ?
A 19 GLY ?
A 20 ARG ?
A 21 THR ?
A 22 ARG ?
A 23 MET ?
A 24 THR ?
A 25 LEU ?
A 26 LYS ?
A 27 ARG ?
A 28 VAL ?
A 29 LEU ?
A 30 GLU ?
A 31 MET ?
A 32 ILE ?
A 33 HIS ?
A 34 GLY ?
A 35 SER ?
A 36 ILE ?
A 37 ILE ?
A 38 GLU ?
A 39 LEU ?
A 40 ASP ?
A 41 LYS ?
A 42 LEU ?
A 43 THR ?
A 44 GLY ?
A 45 GLU ?
A 46 PRO ?
A 47 VAL ?
A 48 ASP ?
A 49 ILE ?
A 50 LEU ?
A 51 VAL ?
A 52 ASN ?
A 53 GLY ?
A 54 LYS ?
A 55 LEU ?
A 56 ILE ?
A 57 ALA ?
A 58 ARG ?
A 59 GLY ?
A 60 GLU ?
A 61 VAL ?
A 62 VAL ?
A 63 VAL ?
A 64 ILE ?
A 65 ASP ?
A 66 GLU ?
A 67 ASN ?
A 68 PHE ?
A 69 GLY ?
A 70 VAL ?
A 71 ARG ?
A 72 ILE ?
A 73 THR ?
A 74 GLU ?
A 75 ILE ?
A 76 VAL ?
A 77 SER ?
A 78 PRO ?
A 79 LYS ?
A 80 GLU ?
A 81 ARG ?
A 82 LEU ?
A 83 GLU ?
A 84 LEU ?
A 85 LEU ?
B 1  SER ?
B 2  ASP ?
B 3  LYS ?
B 4  LEU ?
B 5  GLU ?
B 6  LEU ?
B 7  LEU ?
B 8  LEU ?
B 9  ASP ?
B 10 ILE ?
B 11 PRO ?
B 12 LEU ?
B 13 LYS ?
B 14 VAL ?
B 15 THR ?
B 16 VAL ?
B 17 GLU ?
B 18 LEU ?
B 19 GLY ?
B 20 ARG ?
B 21 THR ?
B 22 ARG ?
B 23 MET ?
B 24 THR ?
B 25 LEU ?
B 26 LYS ?
B 27 ARG ?
B 28 VAL ?
B 29 LEU ?
B 30 GLU ?
B 31 MET ?
B 32 ILE ?
B 33 HIS ?
B 34 GLY ?
B 35 SER ?
B 36 ILE ?
B 37 ILE ?
B 38 GLU ?
B 39 LEU ?
B 40 ASP ?
B 41 LYS ?
B 42 LEU ?
B 43 THR ?
B 44 GLY ?
B 45 GLU ?
B 46 PRO ?
B 47 VAL ?
B 48 ASP ?
B 49 ILE ?
B 50 LEU ?
B 51 VAL ?
B 52 ASN ?
B 53 GLY ?
B 54 LYS ?
B 55 LEU ?
B 56 ILE ?
B 57 ALA ?
B 58 ARG ?
B 59 GLY ?
B 60 GLU ?
B 61 VAL ?
B 62 VAL ?
B 63 VAL ?
B 64 ILE ?
B 65 ASP ?
B 66 GLU ?
B 67 ASN ?
B 68 PHE ?
B 69 GLY ?
B 70 VAL ?
B 71 ARG ?
B 72 ILE ?
B 73 THR ?
B 74 GLU ?
B 75 ILE ?
B 76 VAL ?
B 77 SER ?
B 78 PRO ?
B 79 LYS ?
B 80 GLU ?
B 81 ARG ?
B 82 LEU ?
B 83 GLU ?
B 84 LEU ?
B 85 LEU ?
B 86 ASN ?
B 87 GLU ?

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

_refine.details                   "Hydrogens have been added in their riding positions"
_refine.B_iso_mean                115.987
_refine.aniso_B[1][1]             -0.445
_refine.aniso_B[2][2]             -0.445
_refine.aniso_B[3][3]             1.444
_refine.aniso_B[1][2]             -0.223
_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             3.397
_refine.ls_d_res_low              19.902
_refine.ls_number_reflns_R_work   6906
_refine.ls_number_reflns_R_free   340
_refine.ls_number_reflns_obs      7246
_refine.ls_R_factor_R_work        0.1697
_refine.ls_R_factor_R_free        0.2277
_refine.ls_R_factor_all           0.173
_refine.ls_wR_factor_R_work       0.192
_refine.ls_wR_factor_R_free       0.258
_refine.ls_percent_reflns_obs     99.043
_refine.ls_percent_reflns_R_free  4.692
_refine.correlation_coeff_Fo_to_Fc 0.964
_refine.correlation_coeff_Fo_to_Fc_free 0.930
_refine.pdbx_overall_ESU_R        0.561
_refine.pdbx_overall_ESU_R_Free   0.349
_refine.overall_SU_ML             0.288
_refine.overall_SU_B              18.754
_refine.pdbx_average_fsc_overall  ?
_refine.pdbx_average_fsc_work     0.9703
_refine.pdbx_average_fsc_free     0.9558
_refine.entry_id                  1yab
_refine.pdbx_refine_id            "X-RAY DIFFRACTION"

loop_
_refine_ls_shell.pdbx_total_number_of_bins_used
_refine_ls_shell.d_res_low
_refine_ls_shell.d_res_high
_refine_ls_shell.number_reflns_all
_refine_ls_shell.percent_reflns_obs
_refine_ls_shell.number_reflns_R_work
_refine_ls_shell.R_factor_R_work
_refine_ls_shell.R_factor_all
_refine_ls_shell.number_reflns_R_free
_refine_ls_shell.R_factor_R_free
_refine_ls_shell.wR_factor_R_work
_refine_ls_shell.pdbx_fsc_work
_refine_ls_shell.pdbx_fsc_free
_refine_ls_shell.pdbx_refine_id
20 19.902 12.190 137 91.9708  114 0.167 0.176 12 0.275 0.264 0.982 0.947 "X-RAY DIFFRACTION"
20 12.190 9.563  184 98.3696  174 0.157 0.157 7  0.169 0.211 0.987 0.983 "X-RAY DIFFRACTION"
20 9.563  8.127  217 99.5392  208 0.164 0.164 8  0.165 0.204 0.982 0.986 "X-RAY DIFFRACTION"
20 8.127  7.189  245 99.5918  234 0.189 0.194 10 0.290 0.255 0.974 0.962 "X-RAY DIFFRACTION"
20 7.189  6.516  274 100.0000 264 0.197 0.199 10 0.251 0.240 0.972 0.983 "X-RAY DIFFRACTION"
20 6.516  6.002  293 100.0000 282 0.225 0.225 11 0.212 0.272 0.969 0.971 "X-RAY DIFFRACTION"
20 6.002  5.593  309 100.0000 289 0.189 0.198 20 0.343 0.228 0.978 0.925 "X-RAY DIFFRACTION"
20 5.593  5.258  344 100.0000 331 0.147 0.147 13 0.140 0.163 0.987 0.987 "X-RAY DIFFRACTION"
20 5.258  4.977  353 100.0000 337 0.113 0.114 16 0.131 0.130 0.992 0.987 "X-RAY DIFFRACTION"
20 4.977  4.736  369 99.7290  351 0.098 0.100 17 0.120 0.112 0.994 0.992 "X-RAY DIFFRACTION"
20 4.736  4.527  395 100.0000 372 0.101 0.106 23 0.183 0.124 0.993 0.979 "X-RAY DIFFRACTION"
20 4.527  4.344  396 99.7475  381 0.126 0.126 14 0.136 0.148 0.990 0.983 "X-RAY DIFFRACTION"
20 4.344  4.181  417 100.0000 397 0.141 0.143 20 0.185 0.160 0.988 0.976 "X-RAY DIFFRACTION"
20 4.181  4.036  435 100.0000 417 0.148 0.150 18 0.214 0.160 0.986 0.970 "X-RAY DIFFRACTION"
20 4.036  3.904  462 100.0000 437 0.200 0.207 25 0.367 0.217 0.974 0.924 "X-RAY DIFFRACTION"
20 3.904  3.785  459 99.5643  438 0.197 0.201 19 0.280 0.209 0.972 0.952 "X-RAY DIFFRACTION"
20 3.785  3.676  474 100.0000 449 0.248 0.250 25 0.280 0.274 0.956 0.957 "X-RAY DIFFRACTION"
20 3.676  3.575  479 100.0000 459 0.265 0.270 20 0.366 0.294 0.942 0.933 "X-RAY DIFFRACTION"
20 3.575  3.483  508 100.0000 480 0.276 0.280 28 0.347 0.284 0.940 0.909 "X-RAY DIFFRACTION"
20 3.483  3.397  519 99.4220  492 0.329 0.330 24 0.356 0.337 0.913 0.926 "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             1363 0.007  0.012   "X-RAY DIFFRACTION"
r_bond_other_d               1458 0.001  0.016   "X-RAY DIFFRACTION"
r_angle_refined_deg          1839 1.864  1.874   "X-RAY DIFFRACTION"
r_angle_other_deg            3362 0.650  1.770   "X-RAY DIFFRACTION"
r_dihedral_angle_1_deg       170  10.966 5.000   "X-RAY DIFFRACTION"
r_dihedral_angle_2_deg       12   10.955 5.000   "X-RAY DIFFRACTION"
r_dihedral_angle_3_deg       289  22.366 10.000  "X-RAY DIFFRACTION"
r_dihedral_angle_6_deg       52   14.688 10.000  "X-RAY DIFFRACTION"
r_chiral_restr               238  0.086  0.200   "X-RAY DIFFRACTION"
r_gen_planes_refined         1516 0.006  0.020   "X-RAY DIFFRACTION"
r_gen_planes_other           248  0.002  0.020   "X-RAY DIFFRACTION"
r_nbd_refined                279  0.262  0.200   "X-RAY DIFFRACTION"
r_symmetry_nbd_other         1561 0.226  0.200   "X-RAY DIFFRACTION"
r_nbtor_refined              646  0.179  0.200   "X-RAY DIFFRACTION"
r_symmetry_nbtor_other       955  0.095  0.200   "X-RAY DIFFRACTION"
r_xyhbond_nbd_refined        30   0.179  0.200   "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_other 1    0.167  0.200   "X-RAY DIFFRACTION"
r_symmetry_nbd_refined       5    0.175  0.200   "X-RAY DIFFRACTION"
r_nbd_other                  31   0.169  0.200   "X-RAY DIFFRACTION"
r_mcbond_it                  686  9.557  10.674  "X-RAY DIFFRACTION"
r_mcbond_other               686  9.522  10.671  "X-RAY DIFFRACTION"
r_mcangle_it                 854  13.991 19.143  "X-RAY DIFFRACTION"
r_mcangle_other              855  13.990 19.153  "X-RAY DIFFRACTION"
r_scbond_it                  677  11.999 12.355  "X-RAY DIFFRACTION"
r_scbond_other               676  11.973 12.351  "X-RAY DIFFRACTION"
r_scangle_it                 985  18.665 22.169  "X-RAY DIFFRACTION"
r_scangle_other              986  18.655 22.173  "X-RAY DIFFRACTION"
r_lrange_it                  5066 22.700 132.923 "X-RAY DIFFRACTION"
r_lrange_other               5067 22.697 132.925 "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 1.0495

_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  ? 46.936 -2.825  59.739 1   152.129 ? 68  A 1 .
ATOM 2    C CA   . SER Axp A 1  ? 47.238 -4.071  58.983 1   148.299 ? 68  A 1 .
ATOM 3    C C    . SER Axp A 1  ? 48.687 -4.019  58.493 1   150.162 ? 68  A 1 .
ATOM 4    O O    . SER Axp A 1  ? 49.275 -2.942  58.445 1   157.739 ? 68  A 1 .
ATOM 5    C CB   . SER Axp A 1  ? 46.239 -4.246  57.859 1   139.789 ? 68  A 1 .
ATOM 6    O OG   . SER Axp A 1  ? 46.247 -5.563  57.33  1   137.733 ? 68  A 1 .
ATOM 7    H H    . SER Axp A 1  ? 46.101 -2.867  60.078 1   150.87  ? 68  A 1 c
ATOM 8    H H2   . SER Axp A 1  ? 46.996 -2.112  59.189 1   150.919 ? 68  A 1 c
ATOM 9    H H3   . SER Axp A 1  ? 47.523 -2.726  60.416 1   150.919 ? 68  A 1 c
ATOM 10   H HA   . SER Axp A 1  ? 47.148 -4.838  59.604 1   147.783 ? 68  A 1 c
ATOM 11   H HB3  . SER Axp A 1  ? 46.45  -3.619  57.151 1   141.913 ? 68  A 1 c
ATOM 12   H HB2  . SER Axp A 1  ? 45.345 -4.038  58.189 1   141.372 ? 68  A 1 c
ATOM 13   H HG   . SER Axp A 1  ? 45.69  -5.863  56.77  0   151.21  ? 68  A 1 c
ATOM 14   N N    . ASP Axp A 2  ? 49.268 -5.186  58.173 1   153.211 ? 69  A 1 .
ATOM 15   C CA   . ASP Axp A 2  ? 50.648 -5.284  57.711 1   169.179 ? 69  A 1 .
ATOM 16   C C    . ASP Axp A 2  ? 50.708 -5.241  56.182 1   174.965 ? 69  A 1 .
ATOM 17   O O    . ASP Axp A 2  ? 51.785 -5.022  55.616 1   144.835 ? 69  A 1 .
ATOM 18   C CB   . ASP Axp A 2  ? 51.331 -6.517  58.288 1   183.201 ? 69  A 1 .
ATOM 19   C CG   . ASP Axp A 2  ? 51.504 -6.507  59.803 1   192.44  ? 69  A 1 .
ATOM 20   O OD1  . ASP Axp A 2  ? 52.02  -5.495  60.316 1   200.966 ? 69  A 1 .
ATOM 21   O OD2  . ASP Axp A 2  ? 51.121 -7.503  60.465 1   171.184 ? 69  A 1 .
ATOM 22   H H    . ASP Axp A 2  ? 48.782 -5.956  58.259 1   156.048 ? 69  A 1 c
ATOM 23   H HA   . ASP Axp A 2  ? 51.141 -4.505  58.054 1   169.455 ? 69  A 1 c
ATOM 24   H HB3  . ASP Axp A 2  ? 52.218 -6.605  57.88  1   181.931 ? 69  A 1 c
ATOM 25   H HB2  . ASP Axp A 2  ? 50.808 -7.309  58.044 1   181.875 ? 69  A 1 c
ATOM 26   N N    . LYS Axp A 3  ? 49.54  -5.467  55.547 1   193.299 ? 70  A 1 .
ATOM 27   C CA   . LYS Axp A 3  ? 49.351 -5.407  54.102 1   184.021 ? 70  A 1 .
ATOM 28   C C    . LYS Axp A 3  ? 48.642 -4.117  53.68  1   182.626 ? 70  A 1 .
ATOM 29   O O    . LYS Axp A 3  ? 48.885 -3.646  52.572 1   170.042 ? 70  A 1 .
ATOM 30   C CB   . LYS Axp A 3  ? 48.535 -6.59   53.563 1   175.995 ? 70  A 1 .
ATOM 31   C CG   . LYS Axp A 3  ? 49.328 -7.744  52.966 1   178.145 ? 70  A 1 .
ATOM 32   C CD   . LYS Axp A 3  ? 48.473 -8.751  52.198 1   192.833 ? 70  A 1 .
ATOM 33   C CE   . LYS Axp A 3  ? 47.648 -9.674  53.046 1   200.885 ? 70  A 1 .
ATOM 34   N NZ   . LYS Axp A 3  ? 48.498 -10.514 53.895 1   214.277 ? 70  A 1 .
ATOM 35   H H    . LYS Axp A 3  ? 48.815 -5.689  56.056 1   185.829 ? 70  A 1 c
ATOM 36   H HA   . LYS Axp A 3  ? 50.243 -5.426  53.671 1   183.684 ? 70  A 1 c
ATOM 37   H HB3  . LYS Axp A 3  ? 47.922 -6.256  52.874 1   178.412 ? 70  A 1 c
ATOM 38   H HB2  . LYS Axp A 3  ? 47.986 -6.945  54.295 1   178.436 ? 70  A 1 c
ATOM 39   H HG3  . LYS Axp A 3  ? 49.797 -8.21   53.692 1   181.21  ? 70  A 1 c
ATOM 40   H HG2  . LYS Axp A 3  ? 50.007 -7.376  52.36  1   180.955 ? 70  A 1 c
ATOM 41   H HD3  . LYS Axp A 3  ? 49.065 -9.29   51.63  1   191.3   ? 70  A 1 c
ATOM 42   H HD2  . LYS Axp A 3  ? 47.873 -8.254  51.601 1   191.134 ? 70  A 1 c
ATOM 43   H HE3  . LYS Axp A 3  ? 47.106 -10.246 52.475 1   202.085 ? 70  A 1 c
ATOM 44   H HE2  . LYS Axp A 3  ? 47.051 -9.152  53.612 1   202.084 ? 70  A 1 c
ATOM 45   H HZ1  . LYS Axp A 3  ? 48.703 -10.069 54.657 1   209.793 ? 70  A 1 c
ATOM 46   H HZ2  . LYS Axp A 3  ? 49.264 -10.727 53.46  1   209.765 ? 70  A 1 c
ATOM 47   H HZ3  . LYS Axp A 3  ? 48.057 -11.276 54.107 1   209.955 ? 70  A 1 c
ATOM 48   N N    . LEU Axp A 4  ? 47.759 -3.563  54.533 1   181.057 ? 71  A 1 .
ATOM 49   C CA   . LEU Axp A 4  ? 47.144 -2.261  54.287 1   176.84  ? 71  A 1 .
ATOM 50   C C    . LEU Axp A 4  ? 48.205 -1.171  54.401 1   171.223 ? 71  A 1 .
ATOM 51   O O    . LEU Axp A 4  ? 48.091 -0.129  53.763 1   171.717 ? 71  A 1 .
ATOM 52   C CB   . LEU Axp A 4  ? 45.981 -1.948  55.229 1   174.096 ? 71  A 1 .
ATOM 53   C CG   . LEU Axp A 4  ? 45.305 -0.586  55.034 1   169.335 ? 71  A 1 .
ATOM 54   C CD1  . LEU Axp A 4  ? 44.654 -0.457  53.661 1   157.779 ? 71  A 1 .
ATOM 55   C CD2  . LEU Axp A 4  ? 44.293 -0.321  56.137 1   172.367 ? 71  A 1 .
ATOM 56   H H    . LEU Axp A 4  ? 47.523 -4.021  55.287 1   179.962 ? 71  A 1 c
ATOM 57   H HA   . LEU Axp A 4  ? 46.805 -2.26   53.355 1   175.921 ? 71  A 1 c
ATOM 58   H HB3  . LEU Axp A 4  ? 46.32  -1.99   56.152 1   173.114 ? 71  A 1 c
ATOM 59   H HB2  . LEU Axp A 4  ? 45.301 -2.653  55.124 1   173.524 ? 71  A 1 c
ATOM 60   H HG   . LEU Axp A 4  ? 46.001 0.113   55.101 1   168.557 ? 71  A 1 c
ATOM 61   H HD11 . LEU Axp A 4  ? 45.343 -0.403  52.978 1   161.275 ? 71  A 1 c
ATOM 62   H HD12 . LEU Axp A 4  ? 44.109 0.348   53.633 1   161.198 ? 71  A 1 c
ATOM 63   H HD13 . LEU Axp A 4  ? 44.093 -1.233  53.493 1   161.15  ? 71  A 1 c
ATOM 64   H HD21 . LEU Axp A 4  ? 44.642 -0.644  56.985 1   171.474 ? 71  A 1 c
ATOM 65   H HD22 . LEU Axp A 4  ? 43.464 -0.78   55.932 1   171.39  ? 71  A 1 c
ATOM 66   H HD23 . LEU Axp A 4  ? 44.125 0.635   56.2   1   171.453 ? 71  A 1 c
ATOM 67   N N    . GLU Axp A 5  ? 49.214 -1.41   55.243 1   165.436 ? 72  A 1 .
ATOM 68   C CA   . GLU Axp A 5  ? 50.422 -0.606  55.238 1   161.377 ? 72  A 1 .
ATOM 69   C C    . GLU Axp A 5  ? 50.901 -0.449  53.796 1   156.024 ? 72  A 1 .
ATOM 70   O O    . GLU Axp A 5  ? 50.758 0.635   53.244 1   165.308 ? 72  A 1 .
ATOM 71   C CB   . GLU Axp A 5  ? 51.504 -1.207  56.136 1   166.58  ? 72  A 1 .
ATOM 72   C CG   . GLU Axp A 5  ? 52.538 -0.171  56.563 1   185.262 ? 72  A 1 .
ATOM 73   C CD   . GLU Axp A 5  ? 51.955 1.017   57.321 1   200.16  ? 72  A 1 .
ATOM 74   O OE1  . GLU Axp A 5  ? 51.199 1.862   56.777 1   180.308 ? 72  A 1 .
ATOM 75   O OE2  . GLU Axp A 5  ? 52.267 1.078   58.522 1   219.78  ? 72  A 1 .
ATOM 76   H H    . GLU Axp A 5  ? 49.141 -2.09   55.849 1   166.072 ? 72  A 1 c
ATOM 77   H HA   . GLU Axp A 5  ? 50.186 0.288   55.58  1   162.559 ? 72  A 1 c
ATOM 78   H HB3  . GLU Axp A 5  ? 51.951 -1.939  55.665 1   169.078 ? 72  A 1 c
ATOM 79   H HB2  . GLU Axp A 5  ? 51.081 -1.582  56.936 1   169.294 ? 72  A 1 c
ATOM 80   H HG3  . GLU Axp A 5  ? 53.001 0.165   55.766 1   183.972 ? 72  A 1 c
ATOM 81   H HG2  . GLU Axp A 5  ? 53.209 -0.606  57.133 1   184.248 ? 72  A 1 c
ATOM 82   N N    . LEU Axp A 6  ? 51.388 -1.55   53.191 1   151.257 ? 73  A 1 .
ATOM 83   C CA   . LEU Axp A 6  ? 51.844 -1.618  51.802 1   145.536 ? 73  A 1 .
ATOM 84   C C    . LEU Axp A 6  ? 51.11  -0.612  50.917 1   143.122 ? 73  A 1 .
ATOM 85   O O    . LEU Axp A 6  ? 51.731 -0.011  50.04  1   128.322 ? 73  A 1 .
ATOM 86   C CB   . LEU Axp A 6  ? 51.68  -3.02   51.198 1   134.707 ? 73  A 1 .
ATOM 87   C CG   . LEU Axp A 6  ? 52.874 -3.98   51.275 1   144.656 ? 73  A 1 .
ATOM 88   C CD1  . LEU Axp A 6  ? 54.034 -3.542  50.391 1   141.242 ? 73  A 1 .
ATOM 89   C CD2  . LEU Axp A 6  ? 53.354 -4.177  52.711 1   162.544 ? 73  A 1 .
ATOM 90   H H    . LEU Axp A 6  ? 51.421 -2.321  53.68  1   151.23  ? 73  A 1 c
ATOM 91   H HA   . LEU Axp A 6  ? 52.806 -1.382  51.792 1   144.134 ? 73  A 1 c
ATOM 92   H HB3  . LEU Axp A 6  ? 51.432 -2.916  50.25  1   139.446 ? 73  A 1 c
ATOM 93   H HB2  . LEU Axp A 6  ? 50.915 -3.451  51.641 1   139.693 ? 73  A 1 c
ATOM 94   H HG   . LEU Axp A 6  ? 52.569 -4.864  50.944 1   145.26  ? 73  A 1 c
ATOM 95   H HD11 . LEU Axp A 6  ? 53.69  -3.199  49.549 1   142.246 ? 73  A 1 c
ATOM 96   H HD12 . LEU Axp A 6  ? 54.614 -4.302  50.216 1   142.261 ? 73  A 1 c
ATOM 97   H HD13 . LEU Axp A 6  ? 54.541 -2.845  50.84  1   142.345 ? 73  A 1 c
ATOM 98   H HD21 . LEU Axp A 6  ? 52.608 -4.456  53.266 1   156.969 ? 73  A 1 c
ATOM 99   H HD22 . LEU Axp A 6  ? 53.716 -3.342  53.051 1   156.987 ? 73  A 1 c
ATOM 100  H HD23 . LEU Axp A 6  ? 54.045 -4.861  52.731 1   157.029 ? 73  A 1 c
ATOM 101  N N    . LEU Axp A 7  ? 49.791 -0.474  51.13  1   148.711 ? 74  A 1 .
ATOM 102  C CA   . LEU Axp A 7  ? 48.894 0.16    50.175 1   151.389 ? 74  A 1 .
ATOM 103  C C    . LEU Axp A 7  ? 48.638 1.633   50.503 1   156.419 ? 74  A 1 .
ATOM 104  O O    . LEU Axp A 7  ? 48.835 2.481   49.63  1   147.103 ? 74  A 1 .
ATOM 105  C CB   . LEU Axp A 7  ? 47.594 -0.639  50.117 1   152.188 ? 74  A 1 .
ATOM 106  C CG   . LEU Axp A 7  ? 46.452 -0.033  49.295 1   160.922 ? 74  A 1 .
ATOM 107  C CD1  . LEU Axp A 7  ? 46.88  0.371   47.878 1   145.7   ? 74  A 1 .
ATOM 108  C CD2  . LEU Axp A 7  ? 45.295 -1.032  49.284 1   168.29  ? 74  A 1 .
ATOM 109  H H    . LEU Axp A 7  ? 49.43  -0.811  51.898 1   148.208 ? 74  A 1 c
ATOM 110  H HA   . LEU Axp A 7  ? 49.325 0.121   49.283 1   151.67  ? 74  A 1 c
ATOM 111  H HB3  . LEU Axp A 7  ? 47.274 -0.77   51.04  1   153.919 ? 74  A 1 c
ATOM 112  H HB2  . LEU Axp A 7  ? 47.799 -1.53   49.751 1   154.012 ? 74  A 1 c
ATOM 113  H HG   . LEU Axp A 7  ? 46.138 0.784   49.761 1   157.673 ? 74  A 1 c
ATOM 114  H HD11 . LEU Axp A 7  ? 47.231 1.277   47.891 1   150.037 ? 74  A 1 c
ATOM 115  H HD12 . LEU Axp A 7  ? 46.113 0.33    47.283 1   150.205 ? 74  A 1 c
ATOM 116  H HD13 . LEU Axp A 7  ? 47.568 -0.238  47.56  1   150.059 ? 74  A 1 c
ATOM 117  H HD21 . LEU Axp A 7  ? 45.024 -1.226  50.197 1   166.064 ? 74  A 1 c
ATOM 118  H HD22 . LEU Axp A 7  ? 45.579 -1.853  48.849 1   166.064 ? 74  A 1 c
ATOM 119  H HD23 . LEU Axp A 7  ? 44.543 -0.653  48.798 1   165.978 ? 74  A 1 c
ATOM 120  N N    . LEU Axp A 8  ? 48.144 1.944   51.716 1   145.71  ? 75  A 1 .
ATOM 121  C CA   . LEU Axp A 8  ? 47.772 3.32    52.023 1   137.116 ? 75  A 1 .
ATOM 122  C C    . LEU Axp A 8  ? 49.061 4.146   51.998 1   121.396 ? 75  A 1 .
ATOM 123  O O    . LEU Axp A 8  ? 49.258 5.083   52.765 1   122.673 ? 75  A 1 .
ATOM 124  C CB   . LEU Axp A 8  ? 46.919 3.46    53.293 1   136.344 ? 75  A 1 .
ATOM 125  C CG   . LEU Axp A 8  ? 47.603 3.655   54.656 1   162.832 ? 75  A 1 .
ATOM 126  C CD1  . LEU Axp A 8  ? 46.702 4.625   55.436 1   149.214 ? 75  A 1 .
ATOM 127  C CD2  . LEU Axp A 8  ? 47.889 2.384   55.497 1   169.514 ? 75  A 1 .
ATOM 128  H H    . LEU Axp A 8  ? 48.04  1.297   52.353 1   146.168 ? 75  A 1 c
ATOM 129  H HA   . LEU Axp A 8  ? 47.222 3.64    51.263 1   135.485 ? 75  A 1 c
ATOM 130  H HB3  . LEU Axp A 8  ? 46.347 2.66    53.356 1   142.214 ? 75  A 1 c
ATOM 131  H HB2  . LEU Axp A 8  ? 46.3   4.214   53.151 1   142.332 ? 75  A 1 c
ATOM 132  H HG   . LEU Axp A 8  ? 48.468 4.11    54.508 1   155.689 ? 75  A 1 c
ATOM 133  H HD11 . LEU Axp A 8  ? 46.714 5.497   55.007 1   152.971 ? 75  A 1 c
ATOM 134  H HD12 . LEU Axp A 8  ? 47.028 4.71    56.347 1   153.11  ? 75  A 1 c
ATOM 135  H HD13 . LEU Axp A 8  ? 45.792 4.284   55.45  1   152.896 ? 75  A 1 c
ATOM 136  H HD21 . LEU Axp A 8  ? 48.662 1.923   55.133 1   167.512 ? 75  A 1 c
ATOM 137  H HD22 . LEU Axp A 8  ? 47.117 1.796   55.468 1   167.529 ? 75  A 1 c
ATOM 138  H HD23 . LEU Axp A 8  ? 48.068 2.637   56.418 1   167.44  ? 75  A 1 c
ATOM 139  N N    . ASP Axp A 9  ? 49.884 3.85    50.987 1   111.808 ? 76  A 1 .
ATOM 140  C CA   . ASP Axp A 9  ? 51.32  3.945   51.122 1   112.88  ? 76  A 1 .
ATOM 141  C C    . ASP Axp A 9  ? 52.045 3.781   49.78  1   125.048 ? 76  A 1 .
ATOM 142  O O    . ASP Axp A 9  ? 53.264 3.935   49.74  1   112.781 ? 76  A 1 .
ATOM 143  C CB   . ASP Axp A 9  ? 51.777 2.928   52.152 1   121.025 ? 76  A 1 .
ATOM 144  C CG   . ASP Axp A 9  ? 53.18  3.125   52.716 1   141.509 ? 76  A 1 .
ATOM 145  O OD1  . ASP Axp A 9  ? 53.907 3.999   52.21  1   148.108 ? 76  A 1 .
ATOM 146  O OD2  . ASP Axp A 9  ? 53.547 2.401   53.664 1   153.211 ? 76  A 1 .
ATOM 147  H H    . ASP Axp A 9  ? 49.527 3.636   50.176 1   115.712 ? 76  A 1 c
ATOM 148  H HA   . ASP Axp A 9  ? 51.533 4.837   51.477 1   116.502 ? 76  A 1 c
ATOM 149  H HB3  . ASP Axp A 9  ? 51.747 2.044   51.733 1   123.858 ? 76  A 1 c
ATOM 150  H HB2  . ASP Axp A 9  ? 51.154 2.936   52.907 1   123.721 ? 76  A 1 c
ATOM 151  N N    . ILE Axp A 10 ? 51.346 3.479   48.673 1   146.211 ? 77  A 1 .
ATOM 152  C CA   . ILE Axp A 10 ? 52.058 3.368   47.403 1   154.366 ? 77  A 1 .
ATOM 153  C C    . ILE Axp A 10 ? 51.912 4.658   46.621 1   146.963 ? 77  A 1 .
ATOM 154  O O    . ILE Axp A 10 ? 50.842 5.267   46.61  1   140.934 ? 77  A 1 .
ATOM 155  C CB   . ILE Axp A 10 ? 51.665 2.193   46.485 1   159.195 ? 77  A 1 .
ATOM 156  C CG1  . ILE Axp A 10 ? 50.162 1.84    46.541 1   172.469 ? 77  A 1 .
ATOM 157  C CG2  . ILE Axp A 10 ? 52.579 0.986   46.725 1   146.493 ? 77  A 1 .
ATOM 158  C CD1  . ILE Axp A 10 ? 49.28  2.678   45.629 1   168.959 ? 77  A 1 .
ATOM 159  H H    . ILE Axp A 10 ? 50.441 3.365   48.699 1   142.389 ? 77  A 1 c
ATOM 160  H HA   . ILE Axp A 10 ? 53.001 3.257   47.615 1   151.694 ? 77  A 1 c
ATOM 161  H HB   . ILE Axp A 10 ? 51.842 2.489   45.57  1   158.229 ? 77  A 1 c
ATOM 162  H HG12 . ILE Axp A 10 ? 49.846 1.937   47.46  1   168.027 ? 77  A 1 c
ATOM 163  H HG13 . ILE Axp A 10 ? 50.057 0.899   46.292 1   168.348 ? 77  A 1 c
ATOM 164  H HG21 . ILE Axp A 10 ? 52.378 0.292   46.077 1   150.077 ? 77  A 1 c
ATOM 165  H HG22 . ILE Axp A 10 ? 52.435 0.641   47.622 1   149.974 ? 77  A 1 c
ATOM 166  H HG23 . ILE Axp A 10 ? 53.508 1.256   46.629 1   150.085 ? 77  A 1 c
ATOM 167  H HD11 . ILE Axp A 10 ? 48.952 3.456   46.117 1   169.788 ? 77  A 1 c
ATOM 168  H HD12 . ILE Axp A 10 ? 48.522 2.141   45.33  1   169.922 ? 77  A 1 c
ATOM 169  H HD13 . ILE Axp A 10 ? 49.791 2.975   44.852 1   169.847 ? 77  A 1 c
ATOM 170  N N    . PRO Axp A 11 ? 52.985 5.027   45.884 1   153.919 ? 78  A 1 .
ATOM 171  C CA   . PRO Axp A 11 ? 52.901 6.121   44.93  1   152.32  ? 78  A 1 .
ATOM 172  C C    . PRO Axp A 11 ? 51.734 5.908   43.967 1   149.378 ? 78  A 1 .
ATOM 173  O O    . PRO Axp A 11 ? 51.71  4.954   43.189 1   161.94  ? 78  A 1 .
ATOM 174  C CB   . PRO Axp A 11 ? 54.276 6.146   44.248 1   143.559 ? 78  A 1 .
ATOM 175  C CG   . PRO Axp A 11 ? 55.181 5.262   45.085 1   148.497 ? 78  A 1 .
ATOM 176  C CD   . PRO Axp A 11 ? 54.299 4.359   45.905 1   152.25  ? 78  A 1 .
ATOM 177  H HA   . PRO Axp A 11 ? 52.771 6.961   45.416 1   150.093 ? 78  A 1 c
ATOM 178  H HB3  . PRO Axp A 11 ? 54.625 7.058   44.211 1   146.61  ? 78  A 1 c
ATOM 179  H HB2  . PRO Axp A 11 ? 54.215 5.805   43.335 1   146.668 ? 78  A 1 c
ATOM 180  H HG3  . PRO Axp A 11 ? 55.741 5.808   45.672 1   148.211 ? 78  A 1 c
ATOM 181  H HG2  . PRO Axp A 11 ? 55.765 4.73    44.509 1   148.211 ? 78  A 1 c
ATOM 182  H HD3  . PRO Axp A 11 ? 54.239 3.468   45.508 1   151.795 ? 78  A 1 c
ATOM 183  H HD2  . PRO Axp A 11 ? 54.634 4.282   46.819 1   151.792 ? 78  A 1 c
ATOM 184  N N    . LEU Axp A 12 ? 50.726 6.773   44.075 1   123.298 ? 79  A 1 .
ATOM 185  C CA   . LEU Axp A 12 ? 49.684 6.808   43.069 1   114.84  ? 79  A 1 .
ATOM 186  C C    . LEU Axp A 12 ? 50.162 7.698   41.927 1   112.427 ? 79  A 1 .
ATOM 187  O O    . LEU Axp A 12 ? 51.158 8.39    42.067 1   127.085 ? 79  A 1 .
ATOM 188  C CB   . LEU Axp A 12 ? 48.364 7.275   43.676 1   112.085 ? 79  A 1 .
ATOM 189  C CG   . LEU Axp A 12 ? 47.482 6.166   44.256 1   99.52   ? 79  A 1 .
ATOM 190  C CD1  . LEU Axp A 12 ? 46.19  6.711   44.863 1   91.265  ? 79  A 1 .
ATOM 191  C CD2  . LEU Axp A 12 ? 47.189 5.18    43.126 1   107.746 ? 79  A 1 .
ATOM 192  H H    . LEU Axp A 12 ? 50.686 7.347   44.784 1   126.948 ? 79  A 1 c
ATOM 193  H HA   . LEU Axp A 12 ? 49.568 5.893   42.713 1   115.772 ? 79  A 1 c
ATOM 194  H HB3  . LEU Axp A 12 ? 47.853 7.748   42.98  1   109.726 ? 79  A 1 c
ATOM 195  H HB2  . LEU Axp A 12 ? 48.56  7.923   44.39  1   109.786 ? 79  A 1 c
ATOM 196  H HG   . LEU Axp A 12 ? 47.992 5.695   44.964 1   101.593 ? 79  A 1 c
ATOM 197  H HD11 . LEU Axp A 12 ? 46.392 7.171   45.694 1   93.736  ? 79  A 1 c
ATOM 198  H HD12 . LEU Axp A 12 ? 45.579 5.976   45.042 1   93.723  ? 79  A 1 c
ATOM 199  H HD13 . LEU Axp A 12 ? 45.776 7.332   44.242 1   93.661  ? 79  A 1 c
ATOM 200  H HD21 . LEU Axp A 12 ? 47.858 4.475   43.129 1   105.321 ? 79  A 1 c
ATOM 201  H HD22 . LEU Axp A 12 ? 47.213 5.643   42.272 1   105.355 ? 79  A 1 c
ATOM 202  H HD23 . LEU Axp A 12 ? 46.309 4.788   43.255 1   105.123 ? 79  A 1 c
ATOM 203  N N    . LYS Axp A 13 ? 49.469 7.654   40.79  1   114.271 ? 80  A 1 .
ATOM 204  C CA   . LYS Axp A 13 ? 49.902 8.382   39.61  1   110.042 ? 80  A 1 .
ATOM 205  C C    . LYS Axp A 13 ? 48.878 9.474   39.303 1   109.869 ? 80  A 1 .
ATOM 206  O O    . LYS Axp A 13 ? 47.796 9.216   38.768 1   112.361 ? 80  A 1 .
ATOM 207  C CB   . LYS Axp A 13 ? 50.137 7.374   38.483 1   120.412 ? 80  A 1 .
ATOM 208  C CG   . LYS Axp A 13 ? 50.715 7.918   37.181 1   123.83  ? 80  A 1 .
ATOM 209  C CD   . LYS Axp A 13 ? 50.109 7.248   35.952 1   133.819 ? 80  A 1 .
ATOM 210  C CE   . LYS Axp A 13 ? 48.639 7.571   35.844 1   151.247 ? 80  A 1 .
ATOM 211  N NZ   . LYS Axp A 13 ? 48.01  7.121   34.604 1   159.125 ? 80  A 1 .
ATOM 212  H H    . LYS Axp A 13 ? 48.704 7.156   40.746 1   112.878 ? 80  A 1 c
ATOM 213  H HA   . LYS Axp A 13 ? 50.77  8.814   39.81  1   112.596 ? 80  A 1 c
ATOM 214  H HB3  . LYS Axp A 13 ? 49.283 6.937   38.285 1   119.228 ? 80  A 1 c
ATOM 215  H HB2  . LYS Axp A 13 ? 50.745 6.683   38.818 1   119.02  ? 80  A 1 c
ATOM 216  H HG3  . LYS Axp A 13 ? 51.686 7.776   37.182 1   125.286 ? 80  A 1 c
ATOM 217  H HG2  . LYS Axp A 13 ? 50.548 8.885   37.138 1   125.298 ? 80  A 1 c
ATOM 218  H HD3  . LYS Axp A 13 ? 50.223 6.275   36.021 1   135.221 ? 80  A 1 c
ATOM 219  H HD2  . LYS Axp A 13 ? 50.572 7.562   35.147 1   135.114 ? 80  A 1 c
ATOM 220  H HE3  . LYS Axp A 13 ? 48.524 8.536   35.917 1   148.624 ? 80  A 1 c
ATOM 221  H HE2  . LYS Axp A 13 ? 48.162 7.162   36.587 1   148.419 ? 80  A 1 c
ATOM 222  H HZ1  . LYS Axp A 13 ? 48.242 6.262   34.436 1   156.518 ? 80  A 1 c
ATOM 223  H HZ2  . LYS Axp A 13 ? 48.283 7.643   33.915 1   156.626 ? 80  A 1 c
ATOM 224  H HZ3  . LYS Axp A 13 ? 47.109 7.177   34.68  1   156.626 ? 80  A 1 c
ATOM 225  N N    . VAL Axp A 14 ? 49.264 10.707  39.648 1   102.595 ? 81  A 1 .
ATOM 226  C CA   . VAL Axp A 14 ? 48.442 11.886  39.454 1   85.714  ? 81  A 1 .
ATOM 227  C C    . VAL Axp A 14 ? 48.806 12.544  38.141 1   83.225  ? 81  A 1 .
ATOM 228  O O    . VAL Axp A 14 ? 49.958 12.877  37.922 1   84.949  ? 81  A 1 .
ATOM 229  C CB   . VAL Axp A 14 ? 48.668 12.934  40.536 1   85.62   ? 81  A 1 .
ATOM 230  C CG1  . VAL Axp A 14 ? 47.5   13.901  40.561 1   104.893 ? 81  A 1 .
ATOM 231  C CG2  . VAL Axp A 14 ? 48.916 12.301  41.89  1   94.987  ? 81  A 1 .
ATOM 232  H H    . VAL Axp A 14 ? 50.095 10.817  40.013 1   100.177 ? 81  A 1 c
ATOM 233  H HA   . VAL Axp A 14 ? 47.501 11.627  39.442 1   88.824  ? 81  A 1 c
ATOM 234  H HB   . VAL Axp A 14 ? 49.473 13.441  40.289 1   90.887  ? 81  A 1 c
ATOM 235  H HG11 . VAL Axp A 14 ? 46.675 13.411  40.706 1   98.832  ? 81  A 1 c
ATOM 236  H HG12 . VAL Axp A 14 ? 47.45  14.374  39.713 1   98.694  ? 81  A 1 c
ATOM 237  H HG13 . VAL Axp A 14 ? 47.625 14.543  41.28  1   98.721  ? 81  A 1 c
ATOM 238  H HG21 . VAL Axp A 14 ? 48.703 12.941  42.59  1   92.358  ? 81  A 1 c
ATOM 239  H HG22 . VAL Axp A 14 ? 49.85  12.043  41.962 1   92.389  ? 81  A 1 c
ATOM 240  H HG23 . VAL Axp A 14 ? 48.354 11.515  41.991 1   92.399  ? 81  A 1 c
ATOM 241  N N    . THR Axp A 15 ? 47.797 12.808  37.321 1   88.622  ? 82  A 1 .
ATOM 242  C CA   . THR Axp A 15 ? 48.013 13.425  36.03  1   85.314  ? 82  A 1 .
ATOM 243  C C    . THR Axp A 15 ? 47.208 14.715  36.015 1   88.745  ? 82  A 1 .
ATOM 244  O O    . THR Axp A 15 ? 46.056 14.742  36.452 1   93.278  ? 82  A 1 .
ATOM 245  C CB   . THR Axp A 15 ? 47.559 12.463  34.937 1   93.348  ? 82  A 1 .
ATOM 246  O OG1  . THR Axp A 15 ? 48.039 11.156  35.246 1   93.198  ? 82  A 1 .
ATOM 247  C CG2  . THR Axp A 15 ? 48.011 12.915  33.563 1   97.689  ? 82  A 1 .
ATOM 248  H H    . THR Axp A 15 ? 46.944 12.598  37.572 1   86.585  ? 82  A 1 c
ATOM 249  H HA   . THR Axp A 15 ? 48.967 13.626  35.915 1   87.894  ? 82  A 1 c
ATOM 250  H HB   . THR Axp A 15 ? 46.573 12.438  34.935 1   92.688  ? 82  A 1 c
ATOM 251  H HG1  . THR Axp A 15 ? 48.938 11.224  35.114 0   98.43   ? 82  A 1 c
ATOM 252  H HG21 . THR Axp A 15 ? 47.694 12.285  32.895 1   96.455  ? 82  A 1 c
ATOM 253  H HG22 . THR Axp A 15 ? 48.982 12.954  33.536 1   96.492  ? 82  A 1 c
ATOM 254  H HG23 . THR Axp A 15 ? 47.647 13.796  33.373 1   96.384  ? 82  A 1 c
ATOM 255  N N    . VAL Axp A 16 ? 47.842 15.793  35.567 1   82.957  ? 83  A 1 .
ATOM 256  C CA   . VAL Axp A 16 ? 47.115 17.021  35.34  1   79.929  ? 83  A 1 .
ATOM 257  C C    . VAL Axp A 16 ? 47.081 17.225  33.847 1   78.28   ? 83  A 1 .
ATOM 258  O O    . VAL Axp A 16 ? 48.134 17.157  33.233 1   86.173  ? 83  A 1 .
ATOM 259  C CB   . VAL Axp A 16 ? 47.794 18.219  36.005 1   90.458  ? 83  A 1 .
ATOM 260  C CG1  . VAL Axp A 16 ? 47.306 19.52   35.395 1   101.629 ? 83  A 1 .
ATOM 261  C CG2  . VAL Axp A 16 ? 47.585 18.205  37.508 1   107.846 ? 83  A 1 .
ATOM 262  H H    . VAL Axp A 16 ? 48.741 15.767  35.401 1   83.644  ? 83  A 1 c
ATOM 263  H HA   . VAL Axp A 16 ? 46.206 16.932  35.679 1   82.295  ? 83  A 1 c
ATOM 264  H HB   . VAL Axp A 16 ? 48.761 18.142  35.83  1   93.344  ? 83  A 1 c
ATOM 265  H HG11 . VAL Axp A 16 ? 46.339 19.493  35.299 1   97.954  ? 83  A 1 c
ATOM 266  H HG12 . VAL Axp A 16 ? 47.715 19.645  34.523 1   98.039  ? 83  A 1 c
ATOM 267  H HG13 . VAL Axp A 16 ? 47.552 20.262  35.973 1   98.191  ? 83  A 1 c
ATOM 268  H HG21 . VAL Axp A 16 ? 47.751 19.091  37.87  1   102.244 ? 83  A 1 c
ATOM 269  H HG22 . VAL Axp A 16 ? 48.199 17.571  37.914 1   102.267 ? 83  A 1 c
ATOM 270  H HG23 . VAL Axp A 16 ? 46.672 17.941  37.707 1   101.957 ? 83  A 1 c
ATOM 271  N N    . GLU Axp A 17 ? 45.911 17.503  33.272 1   77.689  ? 84  A 1 .
ATOM 272  C CA   . GLU Axp A 17 ? 45.878 17.647  31.829 1   83.247  ? 84  A 1 .
ATOM 273  C C    . GLU Axp A 17 ? 45.089 18.858  31.363 1   84.245  ? 84  A 1 .
ATOM 274  O O    . GLU Axp A 17 ? 44.048 19.197  31.92  1   90.882  ? 84  A 1 .
ATOM 275  C CB   . GLU Axp A 17 ? 45.303 16.426  31.134 1   94.423  ? 84  A 1 .
ATOM 276  C CG   . GLU Axp A 17 ? 44.205 15.756  31.942 1   109.574 ? 84  A 1 .
ATOM 277  C CD   . GLU Axp A 17 ? 43.418 14.863  31.019 1   124.831 ? 84  A 1 .
ATOM 278  O OE1  . GLU Axp A 17 ? 42.668 15.477  30.213 1   129.517 ? 84  A 1 .
ATOM 279  O OE2  . GLU Axp A 17 ? 43.597 13.613  31.082 1   116.423 ? 84  A 1 .
ATOM 280  H H    . GLU Axp A 17 ? 45.148 17.611  33.764 1   79.22   ? 84  A 1 c
ATOM 281  H HA   . GLU Axp A 17 ? 46.808 17.756  31.515 1   84.3    ? 84  A 1 c
ATOM 282  H HB3  . GLU Axp A 17 ? 46.025 15.78   30.984 1   94.938  ? 84  A 1 c
ATOM 283  H HB2  . GLU Axp A 17 ? 44.955 16.693  30.258 1   95.048  ? 84  A 1 c
ATOM 284  H HG3  . GLU Axp A 17 ? 43.61  16.434  32.328 1   109.07  ? 84  A 1 c
ATOM 285  H HG2  . GLU Axp A 17 ? 44.597 15.219  32.663 1   108.966 ? 84  A 1 c
ATOM 286  N N    . LEU Axp A 18 ? 45.614 19.44   30.279 1   92.113  ? 85  A 1 .
ATOM 287  C CA   . LEU Axp A 18 ? 45.055 20.59   29.588 1   92.536  ? 85  A 1 .
ATOM 288  C C    . LEU Axp A 18 ? 43.723 20.235  28.962 1   95.528  ? 85  A 1 .
ATOM 289  O O    . LEU Axp A 18 ? 42.697 20.721  29.398 1   128.118 ? 85  A 1 .
ATOM 290  C CB   . LEU Axp A 18 ? 46.009 21.039  28.487 1   94.237  ? 85  A 1 .
ATOM 291  C CG   . LEU Axp A 18 ? 47.041 22.08   28.892 1   98.927  ? 85  A 1 .
ATOM 292  C CD1  . LEU Axp A 18 ? 46.237 23.367  28.859 1   112.358 ? 85  A 1 .
ATOM 293  C CD2  . LEU Axp A 18 ? 47.682 21.766  30.256 1   89.088  ? 85  A 1 .
ATOM 294  H H    . LEU Axp A 18 ? 46.386 19.083  29.945 1   90.24   ? 85  A 1 c
ATOM 295  H HA   . LEU Axp A 18 ? 44.924 21.322  30.241 1   93.626  ? 85  A 1 c
ATOM 296  H HB3  . LEU Axp A 18 ? 45.476 21.401  27.742 1   95.036  ? 85  A 1 c
ATOM 297  H HB2  . LEU Axp A 18 ? 46.485 20.247  28.146 1   94.705  ? 85  A 1 c
ATOM 298  H HG   . LEU Axp A 18 ? 47.749 22.119  28.198 1   98.489  ? 85  A 1 c
ATOM 299  H HD11 . LEU Axp A 18 ? 45.952 23.551  27.948 1   107.942 ? 85  A 1 c
ATOM 300  H HD12 . LEU Axp A 18 ? 46.789 24.102  29.176 1   108.087 ? 85  A 1 c
ATOM 301  H HD13 . LEU Axp A 18 ? 45.456 23.284  29.431 1   107.864 ? 85  A 1 c
ATOM 302  H HD21 . LEU Axp A 18 ? 47.961 20.836  30.276 1   91.978  ? 85  A 1 c
ATOM 303  H HD22 . LEU Axp A 18 ? 47.037 21.927  30.966 1   91.95   ? 85  A 1 c
ATOM 304  H HD23 . LEU Axp A 18 ? 48.455 22.339  30.389 1   92.164  ? 85  A 1 c
ATOM 305  N N    . GLY Axp A 19 ? 43.763 19.412  27.918 1   92.737  ? 86  A 1 .
ATOM 306  C CA   . GLY Axp A 19 ? 42.587 19.166  27.115 1   93.461  ? 86  A 1 .
ATOM 307  C C    . GLY Axp A 19 ? 42.611 17.762  26.54  1   93.451  ? 86  A 1 .
ATOM 308  O O    . GLY Axp A 19 ? 43.57  17.019  26.742 1   95.825  ? 86  A 1 .
ATOM 309  H H    . GLY Axp A 19 ? 44.542 18.984  27.705 1   93.563  ? 86  A 1 c
ATOM 310  H HA3  . GLY Axp A 19 ? 42.549 19.824  26.384 1   93.411  ? 86  A 1 c
ATOM 311  H HA2  . GLY Axp A 19 ? 41.78  19.28   27.671 1   93.5    ? 86  A 1 c
ATOM 312  N N    . ARG Axp A 20 ? 41.517 17.434  25.85  1   83.578  ? 87  A 1 .
ATOM 313  C CA   . ARG Axp A 20 ? 41.403 16.209  25.092 1   83.881  ? 87  A 1 .
ATOM 314  C C    . ARG Axp A 20 ? 40.998 16.591  23.679 1   91.71   ? 87  A 1 .
ATOM 315  O O    . ARG Axp A 20 ? 41.12  17.757  23.306 1   99.967  ? 87  A 1 .
ATOM 316  C CB   . ARG Axp A 20 ? 40.336 15.311  25.713 1   97.062  ? 87  A 1 .
ATOM 317  C CG   . ARG Axp A 20 ? 40.56  14.948  27.168 1   104.392 ? 87  A 1 .
ATOM 318  C CD   . ARG Axp A 20 ? 41.498 13.749  27.309 1   117.117 ? 87  A 1 .
ATOM 319  N NE   . ARG Axp A 20 ? 41.566 13.324  28.713 1   117.744 ? 87  A 1 .
ATOM 320  C CZ   . ARG Axp A 20 ? 40.553 12.786  29.368 1   105.123 ? 87  A 1 .
ATOM 321  N NH1  . ARG Axp A 20 ? 39.567 12.257  28.683 1   110.128 ? 87  A 1 .
ATOM 322  N NH2  . ARG Axp A 20 ? 40.541 12.733  30.686 1   103.699 ? 87  A 1 .
ATOM 323  H H    . ARG Axp A 20 ? 40.806 18.008  25.857 1   85.985  ? 87  A 1 c
ATOM 324  H HA   . ARG Axp A 20 ? 42.279 15.752  25.077 1   87.538  ? 87  A 1 c
ATOM 325  H HB3  . ARG Axp A 20 ? 40.284 14.48   25.196 1   95.746  ? 87  A 1 c
ATOM 326  H HB2  . ARG Axp A 20 ? 39.468 15.761  25.635 1   95.502  ? 87  A 1 c
ATOM 327  H HG3  . ARG Axp A 20 ? 39.697 14.734  27.584 1   105.384 ? 87  A 1 c
ATOM 328  H HG2  . ARG Axp A 20 ? 40.946 15.716  27.643 1   105.198 ? 87  A 1 c
ATOM 329  H HD3  . ARG Axp A 20 ? 42.394 13.994  27     1   114.258 ? 87  A 1 c
ATOM 330  H HD2  . ARG Axp A 20 ? 41.176 13.007  26.758 1   114.133 ? 87  A 1 c
ATOM 331  H HE   . ARG Axp A 20 ? 42.32  13.418  29.134 1   114.462 ? 87  A 1 c
ATOM 332  H HH11 . ARG Axp A 20 ? 38.839 12.732  28.523 1   108.789 ? 87  A 1 c
ATOM 333  H HH12 . ARG Axp A 20 ? 39.634 11.428  28.385 1   109.64  ? 87  A 1 c
ATOM 334  H HH21 . ARG Axp A 20 ? 40.22  13.414  31.149 1   104.059 ? 87  A 1 c
ATOM 335  H HH22 . ARG Axp A 20 ? 40.853 12.016  31.099 1   104.035 ? 87  A 1 c
ATOM 336  N N    . THR Axp A 21 ? 40.518 15.601  22.917 1   98.994  ? 88  A 1 .
ATOM 337  C CA   . THR Axp A 21 ? 40.076 15.773  21.542 1   104.831 ? 88  A 1 .
ATOM 338  C C    . THR Axp A 21 ? 40.021 14.372  20.948 1   103.753 ? 88  A 1 .
ATOM 339  O O    . THR Axp A 21 ? 40.655 13.46   21.468 1   113.97  ? 88  A 1 .
ATOM 340  C CB   . THR Axp A 21 ? 40.992 16.715  20.744 1   106.676 ? 88  A 1 .
ATOM 341  O OG1  . THR Axp A 21 ? 40.536 16.827  19.406 1   110.618 ? 88  A 1 .
ATOM 342  C CG2  . THR Axp A 21 ? 42.414 16.22   20.574 1   106.148 ? 88  A 1 .
ATOM 343  H H    . THR Axp A 21 ? 40.482 14.76   23.272 1   98.377  ? 88  A 1 c
ATOM 344  H HA   . THR Axp A 21 ? 39.169 16.15   21.552 1   103.814 ? 88  A 1 c
ATOM 345  H HB   . THR Axp A 21 ? 41.003 17.613  21.151 1   106.872 ? 88  A 1 c
ATOM 346  H HG1  . THR Axp A 21 ? 40.521 16.109  18.996 0   101.91  ? 88  A 1 c
ATOM 347  H HG21 . THR Axp A 21 ? 42.969 16.941  20.231 1   106.203 ? 88  A 1 c
ATOM 348  H HG22 . THR Axp A 21 ? 42.428 15.477  19.949 1   106.093 ? 88  A 1 c
ATOM 349  H HG23 . THR Axp A 21 ? 42.76  15.929  21.434 1   105.992 ? 88  A 1 c
ATOM 350  N N    . ARG Axp A 22 ? 39.209 14.196  19.908 1   107.226 ? 89  A 1 .
ATOM 351  C CA   . ARG Axp A 22 ? 39.197 12.952  19.16  1   105.876 ? 89  A 1 .
ATOM 352  C C    . ARG Axp A 22 ? 39.984 13.218  17.882 1   91.524  ? 89  A 1 .
ATOM 353  O O    . ARG Axp A 22 ? 40.326 14.358  17.592 1   74.592  ? 89  A 1 .
ATOM 354  C CB   . ARG Axp A 22 ? 37.76  12.477  18.906 1   129.197 ? 89  A 1 .
ATOM 355  C CG   . ARG Axp A 22 ? 36.72  12.849  19.96  1   147.537 ? 89  A 1 .
ATOM 356  C CD   . ARG Axp A 22 ? 37.084 12.538  21.418 1   158.035 ? 89  A 1 .
ATOM 357  N NE   . ARG Axp A 22 ? 37.042 11.155  21.916 1   162.579 ? 89  A 1 .
ATOM 358  C CZ   . ARG Axp A 22 ? 36.542 10.044  21.365 1   158.251 ? 89  A 1 .
ATOM 359  N NH1  . ARG Axp A 22 ? 36.021 10.014  20.148 1   147.048 ? 89  A 1 .
ATOM 360  N NH2  . ARG Axp A 22 ? 36.579 8.93    22.07  1   165.929 ? 89  A 1 .
ATOM 361  H H    . ARG Axp A 22 ? 38.65  14.872  19.651 1   106.504 ? 89  A 1 c
ATOM 362  H HA   . ARG Axp A 22 ? 39.669 12.261  19.687 1   107.144 ? 89  A 1 c
ATOM 363  H HB3  . ARG Axp A 22 ? 37.776 11.501  18.818 1   127.463 ? 89  A 1 c
ATOM 364  H HB2  . ARG Axp A 22 ? 37.466 12.842  18.044 1   127.077 ? 89  A 1 c
ATOM 365  H HG3  . ARG Axp A 22 ? 35.879 12.393  19.744 1   145.371 ? 89  A 1 c
ATOM 366  H HG2  . ARG Axp A 22 ? 36.538 13.811  19.887 1   144.87  ? 89  A 1 c
ATOM 367  H HD3  . ARG Axp A 22 ? 36.48  13.076  21.97  1   156.423 ? 89  A 1 c
ATOM 368  H HD2  . ARG Axp A 22 ? 37.98  12.888  21.577 1   155.618 ? 89  A 1 c
ATOM 369  H HE   . ARG Axp A 22 ? 37.399 11.034  22.701 1   160.433 ? 89  A 1 c
ATOM 370  H HH11 . ARG Axp A 22 ? 35.161 10.184  20.035 1   150.269 ? 89  A 1 c
ATOM 371  H HH12 . ARG Axp A 22 ? 36.532 9.818   19.457 1   149.981 ? 89  A 1 c
ATOM 372  H HH21 . ARG Axp A 22 ? 36.27  8.924   22.899 1   163.528 ? 89  A 1 c
ATOM 373  H HH22 . ARG Axp A 22 ? 36.911 8.194   21.711 1   163.528 ? 89  A 1 c
ATOM 374  N N    . MET Axp A 23 ? 40.276 12.178  17.105 1   89.125  ? 90  A 1 .
ATOM 375  C CA   . MET Axp A 23 ? 41.119 12.394  15.948 1   88.953  ? 90  A 1 .
ATOM 376  C C    . MET Axp A 23 ? 41.201 11.127  15.102 1   94.888  ? 90  A 1 .
ATOM 377  O O    . MET Axp A 23 ? 41.844 10.163  15.498 1   101.455 ? 90  A 1 .
ATOM 378  C CB   . MET Axp A 23 ? 42.51  12.802  16.439 1   93.13   ? 90  A 1 .
ATOM 379  C CG   . MET Axp A 23 ? 43.324 13.603  15.465 1   92.288  ? 90  A 1 .
ATOM 380  S SD   . MET Axp A 23 ? 44.693 14.388  16.342 1   92.102  ? 90  A 1 .
ATOM 381  C CE   . MET Axp A 23 ? 45.84  14.382  14.96  1   104.788 ? 90  A 1 .
ATOM 382  H H    . MET Axp A 23 ? 39.953 11.344  17.29  1   89.981  ? 90  A 1 c
ATOM 383  H HA   . MET Axp A 23 ? 40.73  13.123  15.401 1   90.784  ? 90  A 1 c
ATOM 384  H HB3  . MET Axp A 23 ? 43.009 11.989  16.667 1   92.016  ? 90  A 1 c
ATOM 385  H HB2  . MET Axp A 23 ? 42.412 13.323  17.264 1   91.842  ? 90  A 1 c
ATOM 386  H HG3  . MET Axp A 23 ? 42.767 14.291  15.05  1   92.483  ? 90  A 1 c
ATOM 387  H HG2  . MET Axp A 23 ? 43.673 13.019  14.764 1   92.65   ? 90  A 1 c
ATOM 388  H HE3  . MET Axp A 23 ? 45.381 14.092  14.151 1   101.762 ? 90  A 1 c
ATOM 389  H HE2  . MET Axp A 23 ? 46.576 13.774  15.156 1   101.956 ? 90  A 1 c
ATOM 390  H HE1  . MET Axp A 23 ? 46.192 15.28   14.828 1   102.498 ? 90  A 1 c
ATOM 391  N N    . THR Axp A 24 ? 40.519 11.131  13.95  1   96.811  ? 91  A 1 .
ATOM 392  C CA   . THR Axp A 24 ? 40.763 10.166  12.887 1   98.724  ? 91  A 1 .
ATOM 393  C C    . THR Axp A 24 ? 42.235 9.746   12.905 1   95.351  ? 91  A 1 .
ATOM 394  O O    . THR Axp A 24 ? 43.112 10.602  12.82  1   89.131  ? 91  A 1 .
ATOM 395  C CB   . THR Axp A 24 ? 40.337 10.756  11.536 1   113.784 ? 91  A 1 .
ATOM 396  O OG1  . THR Axp A 24 ? 41.257 10.357  10.523 1   107.049 ? 91  A 1 .
ATOM 397  C CG2  . THR Axp A 24 ? 40.32  12.276  11.496 1   131.123 ? 91  A 1 .
ATOM 398  H H    . THR Axp A 24 ? 39.847 11.741  13.842 1   97.391  ? 91  A 1 c
ATOM 399  H HA   . THR Axp A 24 ? 40.209 9.376   13.062 1   100.348 ? 91  A 1 c
ATOM 400  H HB   . THR Axp A 24 ? 39.438 10.423  11.305 1   112.488 ? 91  A 1 c
ATOM 401  H HG1  . THR Axp A 24 ? 41.952 10.748  10.643 0   104.79  ? 91  A 1 c
ATOM 402  H HG21 . THR Axp A 24 ? 40.485 12.579  10.587 1   125.436 ? 91  A 1 c
ATOM 403  H HG22 . THR Axp A 24 ? 41.009 12.628  12.082 1   125.199 ? 91  A 1 c
ATOM 404  H HG23 . THR Axp A 24 ? 39.451 12.599  11.789 1   125.357 ? 91  A 1 c
ATOM 405  N N    . LEU Axp A 25 ? 42.476 8.428   13.026 1   93.025  ? 92  A 1 .
ATOM 406  C CA   . LEU Axp A 25 ? 43.804 7.822   12.953 1   97.614  ? 92  A 1 .
ATOM 407  C C    . LEU Axp A 25 ? 44.593 8.342   11.743 1   99.495  ? 92  A 1 .
ATOM 408  O O    . LEU Axp A 25 ? 45.81  8.524   11.82  1   91.438  ? 92  A 1 .
ATOM 409  C CB   . LEU Axp A 25 ? 43.654 6.294   12.963 1   97.985  ? 92  A 1 .
ATOM 410  C CG   . LEU Axp A 25 ? 44.63  5.452   12.118 1   102.132 ? 92  A 1 .
ATOM 411  C CD1  . LEU Axp A 25 ? 46.035 5.178   12.656 1   84.555  ? 92  A 1 .
ATOM 412  C CD2  . LEU Axp A 25 ? 43.938 4.12    11.865 1   113.086 ? 92  A 1 .
ATOM 413  H H    . LEU Axp A 25 ? 41.762 7.876   13.169 1   94.739  ? 92  A 1 c
ATOM 414  H HA   . LEU Axp A 25 ? 44.297 8.089   13.768 1   97.144  ? 92  A 1 c
ATOM 415  H HB3  . LEU Axp A 25 ? 42.738 6.078   12.673 1   98.904  ? 92  A 1 c
ATOM 416  H HB2  . LEU Axp A 25 ? 43.724 5.992   13.898 1   98.84   ? 92  A 1 c
ATOM 417  H HG   . LEU Axp A 25 ? 44.733 5.897   11.238 1   99.737  ? 92  A 1 c
ATOM 418  H HD11 . LEU Axp A 25 ? 46.468 6.02    12.876 1   89.384  ? 92  A 1 c
ATOM 419  H HD12 . LEU Axp A 25 ? 46.556 4.713   11.98  1   89.383  ? 92  A 1 c
ATOM 420  H HD13 . LEU Axp A 25 ? 45.975 4.626   13.454 1   89.384  ? 92  A 1 c
ATOM 421  H HD21 . LEU Axp A 25 ? 43.166 4.258   11.294 1   109.814 ? 92  A 1 c
ATOM 422  H HD22 . LEU Axp A 25 ? 43.65  3.737   12.711 1   109.658 ? 92  A 1 c
ATOM 423  H HD23 . LEU Axp A 25 ? 44.556 3.509   11.429 1   109.582 ? 92  A 1 c
ATOM 424  N N    . LYS Axp A 26 ? 43.907 8.586   10.621 1   97.074  ? 93  A 1 .
ATOM 425  C CA   . LYS Axp A 26 ? 44.548 9.202   9.472  1   105.611 ? 93  A 1 .
ATOM 426  C C    . LYS Axp A 26 ? 45.212 10.508  9.9    1   102.117 ? 93  A 1 .
ATOM 427  O O    . LYS Axp A 26 ? 46.412 10.672  9.724  1   95.464  ? 93  A 1 .
ATOM 428  C CB   . LYS Axp A 26 ? 43.547 9.485   8.35   1   117.742 ? 93  A 1 .
ATOM 429  C CG   . LYS Axp A 26 ? 44.163 9.974   7.053  1   131.145 ? 93  A 1 .
ATOM 430  C CD   . LYS Axp A 26 ? 43.224 10.953  6.357  1   150.062 ? 93  A 1 .
ATOM 431  C CE   . LYS Axp A 26 ? 43.565 11.232  4.931  1   150.937 ? 93  A 1 .
ATOM 432  N NZ   . LYS Axp A 26 ? 43.233 10.098  4.069  1   158.894 ? 93  A 1 .
ATOM 433  H H    . LYS Axp A 26 ? 43.025 8.352   10.565 1   99.548  ? 93  A 1 c
ATOM 434  H HA   . LYS Axp A 26 ? 45.246 8.585   9.135  1   105.247 ? 93  A 1 c
ATOM 435  H HB3  . LYS Axp A 26 ? 42.907 10.158  8.662  1   117.791 ? 93  A 1 c
ATOM 436  H HB2  . LYS Axp A 26 ? 43.046 8.663   8.164  1   117.775 ? 93  A 1 c
ATOM 437  H HG3  . LYS Axp A 26 ? 44.331 9.205   6.467  1   132.005 ? 93  A 1 c
ATOM 438  H HG2  . LYS Axp A 26 ? 45.018 10.416  7.243  1   131.614 ? 93  A 1 c
ATOM 439  H HD3  . LYS Axp A 26 ? 43.232 11.8    6.854  1   145.679 ? 93  A 1 c
ATOM 440  H HD2  . LYS Axp A 26 ? 42.311 10.596  6.4    1   145.435 ? 93  A 1 c
ATOM 441  H HE3  . LYS Axp A 26 ? 44.517 11.415  4.853  1   152.777 ? 93  A 1 c
ATOM 442  H HE2  . LYS Axp A 26 ? 43.076 12.018  4.626  1   152.616 ? 93  A 1 c
ATOM 443  H HZ1  . LYS Axp A 26 ? 42.371 9.851   4.2    1   156.211 ? 93  A 1 c
ATOM 444  H HZ2  . LYS Axp A 26 ? 43.776 9.397   4.255  1   156.055 ? 93  A 1 c
ATOM 445  H HZ3  . LYS Axp A 26 ? 43.343 10.334  3.201  1   156.3   ? 93  A 1 c
ATOM 446  N N    . ARG Axp A 27 ? 44.42  11.407  10.499 1   105.503 ? 94  A 1 .
ATOM 447  C CA   . ARG Axp A 27 ? 44.89  12.721  10.912 1   108.721 ? 94  A 1 .
ATOM 448  C C    . ARG Axp A 27 ? 46.093 12.599  11.844 1   95.685  ? 94  A 1 .
ATOM 449  O O    . ARG Axp A 27 ? 47.009 13.416  11.761 1   86.011  ? 94  A 1 .
ATOM 450  C CB   . ARG Axp A 27 ? 43.756 13.542  11.548 1   124.81  ? 94  A 1 .
ATOM 451  C CG   . ARG Axp A 27 ? 43.114 14.585  10.636 1   143.903 ? 94  A 1 .
ATOM 452  C CD   . ARG Axp A 27 ? 43.837 15.937  10.65  1   146.158 ? 94  A 1 .
ATOM 453  N NE   . ARG Axp A 27 ? 43.617 16.605  11.939 1   143.19  ? 94  A 1 .
ATOM 454  C CZ   . ARG Axp A 27 ? 44.553 16.928  12.841 1   156.146 ? 94  A 1 .
ATOM 455  N NH1  . ARG Axp A 27 ? 45.852 16.941  12.537 1   150.164 ? 94  A 1 .
ATOM 456  N NH2  . ARG Axp A 27 ? 44.157 17.271  14.058 1   141.689 ? 94  A 1 .
ATOM 457  H H    . ARG Axp A 27 ? 43.547 11.188  10.655 1   105.773 ? 94  A 1 c
ATOM 458  H HA   . ARG Axp A 27 ? 45.186 13.203  10.099 1   108.622 ? 94  A 1 c
ATOM 459  H HB3  . ARG Axp A 27 ? 44.111 14.001  12.339 1   124.682 ? 94  A 1 c
ATOM 460  H HB2  . ARG Axp A 27 ? 43.06  12.927  11.856 1   124.437 ? 94  A 1 c
ATOM 461  H HG3  . ARG Axp A 27 ? 42.182 14.721  10.914 1   139.758 ? 94  A 1 c
ATOM 462  H HG2  . ARG Axp A 27 ? 43.102 14.241  9.716  1   139.569 ? 94  A 1 c
ATOM 463  H HD3  . ARG Axp A 27 ? 43.509 16.505  9.925  1   144.976 ? 94  A 1 c
ATOM 464  H HD2  . ARG Axp A 27 ? 44.796 15.795  10.514 1   145.078 ? 94  A 1 c
ATOM 465  H HE   . ARG Axp A 27 ? 42.796 16.814  12.14  1   146.81  ? 94  A 1 c
ATOM 466  H HH11 . ARG Axp A 27 ? 46.121 17.321  11.786 1   151.748 ? 94  A 1 c
ATOM 467  H HH12 . ARG Axp A 27 ? 46.439 16.574  13.084 1   151.213 ? 94  A 1 c
ATOM 468  H HH21 . ARG Axp A 27 ? 43.584 17.931  14.173 1   145.743 ? 94  A 1 c
ATOM 469  H HH22 . ARG Axp A 27 ? 44.447 16.813  14.754 1   144.956 ? 94  A 1 c
ATOM 470  N N    . VAL Axp A 28 ? 46.066 11.589  12.725 1   95.952  ? 95  A 1 .
ATOM 471  C CA   . VAL Axp A 28 ? 47.121 11.353  13.706 1   100.796 ? 95  A 1 .
ATOM 472  C C    . VAL Axp A 28 ? 48.419 10.96   13.009 1   97.494  ? 95  A 1 .
ATOM 473  O O    . VAL Axp A 28 ? 49.507 11.119  13.569 1   84.6    ? 95  A 1 .
ATOM 474  C CB   . VAL Axp A 28 ? 46.747 10.25   14.711 1   100.181 ? 95  A 1 .
ATOM 475  C CG1  . VAL Axp A 28 ? 47.737 10.199  15.87  1   95.884  ? 95  A 1 .
ATOM 476  C CG2  . VAL Axp A 28 ? 45.314 10.396  15.202 1   100.257 ? 95  A 1 .
ATOM 477  H H    . VAL Axp A 28 ? 45.355 11.017  12.71  1   97.195  ? 95  A 1 c
ATOM 478  H HA   . VAL Axp A 28 ? 47.275 12.178  14.195 1   99.148  ? 95  A 1 c
ATOM 479  H HB   . VAL Axp A 28 ? 46.808 9.39    14.232 1   99.481  ? 95  A 1 c
ATOM 480  H HG11 . VAL Axp A 28 ? 47.963 11.103  16.145 1   97.303  ? 95  A 1 c
ATOM 481  H HG12 . VAL Axp A 28 ? 48.544 9.735   15.589 1   97.108  ? 95  A 1 c
ATOM 482  H HG13 . VAL Axp A 28 ? 47.339 9.724   16.619 1   97.195  ? 95  A 1 c
ATOM 483  H HG21 . VAL Axp A 28 ? 45.224 9.982   16.077 1   100.019 ? 95  A 1 c
ATOM 484  H HG22 . VAL Axp A 28 ? 44.711 9.964   14.579 1   100.035 ? 95  A 1 c
ATOM 485  H HG23 . VAL Axp A 28 ? 45.089 11.339  15.268 1   100.051 ? 95  A 1 c
ATOM 486  N N    . LEU Axp A 29 ? 48.287 10.395  11.81  1   97.484  ? 96  A 1 .
ATOM 487  C CA   . LEU Axp A 29 ? 49.451 9.933   11.085 1   107.536 ? 96  A 1 .
ATOM 488  C C    . LEU Axp A 29 ? 50.046 11.069  10.276 1   102.488 ? 96  A 1 .
ATOM 489  O O    . LEU Axp A 29 ? 51.249 11.043  10.033 1   103.529 ? 96  A 1 .
ATOM 490  C CB   . LEU Axp A 29 ? 49.088 8.751   10.197 1   110.718 ? 96  A 1 .
ATOM 491  C CG   . LEU Axp A 29 ? 48.972 7.419   10.933 1   109.709 ? 96  A 1 .
ATOM 492  C CD1  . LEU Axp A 29 ? 48.351 6.404   10.007 1   116.931 ? 96  A 1 .
ATOM 493  C CD2  . LEU Axp A 29 ? 50.347 6.986   11.429 1   111.545 ? 96  A 1 .
ATOM 494  H H    . LEU Axp A 29 ? 47.458 10.27   11.447 1   99.862  ? 96  A 1 c
ATOM 495  H HA   . LEU Axp A 29 ? 50.128 9.639   11.744 1   104.968 ? 96  A 1 c
ATOM 496  H HB3  . LEU Axp A 29 ? 49.775 8.665   9.497  1   109.702 ? 96  A 1 c
ATOM 497  H HB2  . LEU Axp A 29 ? 48.228 8.943   9.758  1   109.656 ? 96  A 1 c
ATOM 498  H HG   . LEU Axp A 29 ? 48.376 7.542   11.716 1   111.555 ? 96  A 1 c
ATOM 499  H HD11 . LEU Axp A 29 ? 47.455 6.692   9.762  1   114.693 ? 96  A 1 c
ATOM 500  H HD12 . LEU Axp A 29 ? 48.301 5.543   10.455 1   114.701 ? 96  A 1 c
ATOM 501  H HD13 . LEU Axp A 29 ? 48.893 6.32    9.205  1   114.72  ? 96  A 1 c
ATOM 502  H HD21 . LEU Axp A 29 ? 50.542 7.426   12.273 1   110.967 ? 96  A 1 c
ATOM 503  H HD22 . LEU Axp A 29 ? 51.023 7.229   10.774 1   110.993 ? 96  A 1 c
ATOM 504  H HD23 . LEU Axp A 29 ? 50.356 6.022   11.559 1   111.046 ? 96  A 1 c
ATOM 505  N N    . GLU Axp A 30 ? 49.197 12.028  9.877  1   109.491 ? 97  A 1 .
ATOM 506  C CA   . GLU Axp A 30 ? 49.605 13.15   9.045  1   120.17  ? 97  A 1 .
ATOM 507  C C    . GLU Axp A 30 ? 50.415 14.163  9.852  1   110.608 ? 97  A 1 .
ATOM 508  O O    . GLU Axp A 30 ? 51.307 14.794  9.288  1   105.167 ? 97  A 1 .
ATOM 509  C CB   . GLU Axp A 30 ? 48.405 13.849  8.403  1   131.532 ? 97  A 1 .
ATOM 510  C CG   . GLU Axp A 30 ? 47.993 13.252  7.062  1   149.983 ? 97  A 1 .
ATOM 511  C CD   . GLU Axp A 30 ? 46.571 13.578  6.635  1   174.605 ? 97  A 1 .
ATOM 512  O OE1  . GLU Axp A 30 ? 45.833 14.282  7.365  1   170.649 ? 97  A 1 .
ATOM 513  O OE2  . GLU Axp A 30 ? 46.208 13.114  5.536  1   189.335 ? 97  A 1 .
ATOM 514  H H    . GLU Axp A 30 ? 48.321 11.974  10.13  1   110.092 ? 97  A 1 c
ATOM 515  H HA   . GLU Axp A 30 ? 50.182 12.8    8.319  1   118.157 ? 97  A 1 c
ATOM 516  H HB3  . GLU Axp A 30 ? 48.624 14.795  8.269  1   132.682 ? 97  A 1 c
ATOM 517  H HB2  . GLU Axp A 30 ? 47.648 13.804  9.023  1   132.943 ? 97  A 1 c
ATOM 518  H HG3  . GLU Axp A 30 ? 48.088 12.277  7.105  1   150.747 ? 97  A 1 c
ATOM 519  H HG2  . GLU Axp A 30 ? 48.606 13.576  6.368  1   150.747 ? 97  A 1 c
ATOM 520  N N    . MET Axp A 31 ? 50.094 14.314  11.149 1   98.672  ? 98  A 1 .
ATOM 521  C CA   . MET Axp A 31 ? 50.715 15.319  12     1   102.324 ? 98  A 1 .
ATOM 522  C C    . MET Axp A 31 ? 52.224 15.345  11.782 1   102.146 ? 98  A 1 .
ATOM 523  O O    . MET Axp A 31 ? 52.865 14.307  11.731 1   108.705 ? 98  A 1 .
ATOM 524  C CB   . MET Axp A 31 ? 50.463 15.05   13.487 1   111.986 ? 98  A 1 .
ATOM 525  C CG   . MET Axp A 31 ? 49.101 15.494  13.992 1   124.087 ? 98  A 1 .
ATOM 526  S SD   . MET Axp A 31 ? 48.999 15.386  15.796 1   141.399 ? 98  A 1 .
ATOM 527  C CE   . MET Axp A 31 ? 49.237 13.654  16.226 1   133.213 ? 98  A 1 .
ATOM 528  H H    . MET Axp A 31 ? 49.458 13.769  11.515 1   102.453 ? 98  A 1 c
ATOM 529  H HA   . MET Axp A 31 ? 50.34  16.203  11.757 1   103.292 ? 98  A 1 c
ATOM 530  H HB3  . MET Axp A 31 ? 51.156 15.51   14.008 1   112.262 ? 98  A 1 c
ATOM 531  H HB2  . MET Axp A 31 ? 50.561 14.088  13.649 1   112.31  ? 98  A 1 c
ATOM 532  H HG3  . MET Axp A 31 ? 48.406 14.93   13.599 1   124.109 ? 98  A 1 c
ATOM 533  H HG2  . MET Axp A 31 ? 48.935 16.418  13.718 1   124.109 ? 98  A 1 c
ATOM 534  H HE3  . MET Axp A 31 ? 50.136 13.529  16.582 1   135.207 ? 98  A 1 c
ATOM 535  H HE2  . MET Axp A 31 ? 49.124 13.104  15.429 1   135.207 ? 98  A 1 c
ATOM 536  H HE1  . MET Axp A 31 ? 48.58  13.393  16.897 1   135.207 ? 98  A 1 c
ATOM 537  N N    . ILE Axp A 32 ? 52.778 16.555  11.693 1   109.347 ? 99  A 1 .
ATOM 538  C CA   . ILE Axp A 32 ? 54.193 16.774  11.445 1   102.302 ? 99  A 1 .
ATOM 539  C C    . ILE Axp A 32 ? 54.731 17.577  12.618 1   94.982  ? 99  A 1 .
ATOM 540  O O    . ILE Axp A 32 ? 53.946 18.057  13.431 1   104.846 ? 99  A 1 .
ATOM 541  C CB   . ILE Axp A 32 ? 54.385 17.53   10.117 1   118.74  ? 99  A 1 .
ATOM 542  C CG1  . ILE Axp A 32 ? 53.425 18.738  10.012 1   126.213 ? 99  A 1 .
ATOM 543  C CG2  . ILE Axp A 32 ? 54.238 16.583  8.925  1   130.903 ? 99  A 1 .
ATOM 544  C CD1  . ILE Axp A 32 ? 53.855 19.826  9.04   1   133.473 ? 99  A 1 .
ATOM 545  H H    . ILE Axp A 32 ? 52.244 17.287  11.812 1   106.246 ? 99  A 1 c
ATOM 546  H HA   . ILE Axp A 32 ? 54.655 15.915  11.399 1   105.289 ? 99  A 1 c
ATOM 547  H HB   . ILE Axp A 32 ? 55.299 17.88   10.107 1   118.606 ? 99  A 1 c
ATOM 548  H HG12 . ILE Axp A 32 ? 53.33  19.139  10.899 1   125.373 ? 99  A 1 c
ATOM 549  H HG13 . ILE Axp A 32 ? 52.543 18.411  9.739  1   125.749 ? 99  A 1 c
ATOM 550  H HG21 . ILE Axp A 32 ? 54.616 16.997  8.132  1   127.132 ? 99  A 1 c
ATOM 551  H HG22 . ILE Axp A 32 ? 53.297 16.395  8.773  1   127.02  ? 99  A 1 c
ATOM 552  H HG23 . ILE Axp A 32 ? 54.707 15.751  9.108  1   126.999 ? 99  A 1 c
ATOM 553  H HD11 . ILE Axp A 32 ? 54.731 20.17   9.301  1   131.293 ? 99  A 1 c
ATOM 554  H HD12 . ILE Axp A 32 ? 53.205 20.554  9.054  1   131.293 ? 99  A 1 c
ATOM 555  H HD13 . ILE Axp A 32 ? 53.909 19.457  8.138  1   131.293 ? 99  A 1 c
ATOM 556  N N    . HIS Axp A 33 ? 56.054 17.747  12.687 1   84.398  ? 100 A 1 .
ATOM 557  C CA   . HIS Axp A 33 ? 56.604 18.862  13.437 1   94.708  ? 100 A 1 .
ATOM 558  C C    . HIS Axp A 33 ? 55.868 20.124  12.966 1   100.598 ? 100 A 1 .
ATOM 559  O O    . HIS Axp A 33 ? 55.851 20.434  11.782 1   105.572 ? 100 A 1 .
ATOM 560  C CB   . HIS Axp A 33 ? 58.122 18.953  13.242 1   109.522 ? 100 A 1 .
ATOM 561  C CG   . HIS Axp A 33 ? 58.909 17.732  13.641 1   164.999 ? 100 A 1 .
ATOM 562  N ND1  . HIS Axp A 33 ? 59.57  17.656  14.849 1   194.077 ? 100 A 1 .
ATOM 563  C CD2  . HIS Axp A 33 ? 59.192 16.567  13.011 1   194.099 ? 100 A 1 .
ATOM 564  C CE1  . HIS Axp A 33 ? 60.209 16.491  14.949 1   180.021 ? 100 A 1 .
ATOM 565  N NE2  . HIS Axp A 33 ? 59.985 15.808  13.847 1   187.15  ? 100 A 1 .
ATOM 566  H H    . HIS Axp A 33 ? 56.616 17.169  12.256 1   90.054  ? 100 A 1 c
ATOM 567  H HA   . HIS Axp A 33 ? 56.405 18.721  14.396 1   96.197  ? 100 A 1 c
ATOM 568  H HB3  . HIS Axp A 33 ? 58.454 19.72   13.756 1   116.649 ? 100 A 1 c
ATOM 569  H HB2  . HIS Axp A 33 ? 58.301 19.145  12.296 1   116.649 ? 100 A 1 c
ATOM 570  H HD1  . HIS Axp A 33 ? 59.344 18.157  15.453 0   126.43  ? 100 A 1 c
ATOM 571  H HD2  . HIS Axp A 33 ? 58.89  16.305  12.164 1   184.953 ? 100 A 1 c
ATOM 572  H HE1  . HIS Axp A 33 ? 60.719 16.203  15.686 1   184.571 ? 100 A 1 c
ATOM 573  H HE2  . HIS Axp A 33 ? 60.379 15.151  13.347 0   128.36  ? 100 A 1 c
ATOM 574  N N    . GLY Axp A 34 ? 55.174 20.818  13.867 1   104.486 ? 101 A 1 .
ATOM 575  C CA   . GLY Axp A 34 ? 54.665 22.142  13.55  1   98.25   ? 101 A 1 .
ATOM 576  C C    . GLY Axp A 34 ? 53.149 22.178  13.419 1   93.13   ? 101 A 1 .
ATOM 577  O O    . GLY Axp A 34 ? 52.578 23.265  13.387 1   86.99   ? 101 A 1 .
ATOM 578  H H    . GLY Axp A 34 ? 55.011 20.464  14.694 1   102.021 ? 101 A 1 c
ATOM 579  H HA3  . GLY Axp A 34 ? 55.071 22.452  12.707 1   98.569  ? 101 A 1 c
ATOM 580  H HA2  . GLY Axp A 34 ? 54.942 22.766  14.261 1   98.528  ? 101 A 1 c
ATOM 581  N N    . SER Axp A 35 ? 52.5   21.009  13.363 1   91.729  ? 102 A 1 .
ATOM 582  C CA   . SER Axp A 35 ? 51.044 20.975  13.316 1   104.667 ? 102 A 1 .
ATOM 583  C C    . SER Axp A 35 ? 50.507 21.694  14.545 1   91.337  ? 102 A 1 .
ATOM 584  O O    . SER Axp A 35 ? 51.138 21.623  15.596 1   92.575  ? 102 A 1 .
ATOM 585  C CB   . SER Axp A 35 ? 50.5   19.562  13.268 1   111.382 ? 102 A 1 .
ATOM 586  O OG   . SER Axp A 35 ? 51.337 18.7    12.51  1   90.774  ? 102 A 1 .
ATOM 587  H H    . SER Axp A 35 ? 52.965 20.223  13.349 1   95.051  ? 102 A 1 c
ATOM 588  H HA   . SER Axp A 35 ? 50.744 21.462  12.507 1   100.47  ? 102 A 1 c
ATOM 589  H HB3  . SER Axp A 35 ? 49.608 19.575  12.871 1   104.579 ? 102 A 1 c
ATOM 590  H HB2  . SER Axp A 35 ? 50.421 19.216  14.177 1   104.513 ? 102 A 1 c
ATOM 591  H HG   . SER Axp A 35 ? 50.967 18.021  12.267 0   104.98  ? 102 A 1 c
ATOM 592  N N    . ILE Axp A 36 ? 49.358 22.364  14.421 1   81.237  ? 103 A 1 .
ATOM 593  C CA   . ILE Axp A 36 ? 48.727 22.95   15.597 1   88.8    ? 103 A 1 .
ATOM 594  C C    . ILE Axp A 36 ? 47.457 22.154  15.882 1   80.788  ? 103 A 1 .
ATOM 595  O O    . ILE Axp A 36 ? 46.491 22.19   15.146 1   86.473  ? 103 A 1 .
ATOM 596  C CB   . ILE Axp A 36 ? 48.468 24.473  15.482 1   93.676  ? 103 A 1 .
ATOM 597  C CG1  . ILE Axp A 36 ? 49.75  25.29   15.325 1   96.925  ? 103 A 1 .
ATOM 598  C CG2  . ILE Axp A 36 ? 47.681 24.99   16.682 1   89.51   ? 103 A 1 .
ATOM 599  C CD1  . ILE Axp A 36 ? 50.051 25.726  13.902 1   114.166 ? 103 A 1 .
ATOM 600  H H    . ILE Axp A 36 ? 48.962 22.459  13.602 1   85.451  ? 103 A 1 c
ATOM 601  H HA   . ILE Axp A 36 ? 49.331 22.82   16.349 1   86.79   ? 103 A 1 c
ATOM 602  H HB   . ILE Axp A 36 ? 47.923 24.621  14.683 1   92.671  ? 103 A 1 c
ATOM 603  H HG12 . ILE Axp A 36 ? 50.499 24.753  15.651 1   99.954  ? 103 A 1 c
ATOM 604  H HG13 . ILE Axp A 36 ? 49.689 26.088  15.889 1   99.75   ? 103 A 1 c
ATOM 605  H HG21 . ILE Axp A 36 ? 47.688 25.962  16.685 1   90.809  ? 103 A 1 c
ATOM 606  H HG22 . ILE Axp A 36 ? 48.086 24.663  17.503 1   90.729  ? 103 A 1 c
ATOM 607  H HG23 . ILE Axp A 36 ? 46.762 24.677  16.629 1   90.686  ? 103 A 1 c
ATOM 608  H HD11 . ILE Axp A 36 ? 50.108 24.941  13.325 1   108.778 ? 103 A 1 c
ATOM 609  H HD12 . ILE Axp A 36 ? 50.901 26.206  13.88  1   108.778 ? 103 A 1 c
ATOM 610  H HD13 . ILE Axp A 36 ? 49.34  26.312  13.582 1   108.777 ? 103 A 1 c
ATOM 611  N N    . ILE Axp A 37 ? 47.479 21.389  16.958 1   90.18   ? 104 A 1 .
ATOM 612  C CA   . ILE Axp A 37 ? 46.315 20.635  17.369 1   94.776  ? 104 A 1 .
ATOM 613  C C    . ILE Axp A 37 ? 45.49  21.552  18.251 1   83.314  ? 104 A 1 .
ATOM 614  O O    . ILE Axp A 37 ? 46.043 22.271  19.065 1   85.369  ? 104 A 1 .
ATOM 615  C CB   . ILE Axp A 37 ? 46.752 19.342  18.09  1   110.593 ? 104 A 1 .
ATOM 616  C CG1  . ILE Axp A 37 ? 47.213 18.272  17.088 1   126.432 ? 104 A 1 .
ATOM 617  C CG2  . ILE Axp A 37 ? 45.674 18.817  19.037 1   111.363 ? 104 A 1 .
ATOM 618  C CD1  . ILE Axp A 37 ? 46.509 18.305  15.736 1   133.862 ? 104 A 1 .
ATOM 619  H H    . ILE Axp A 37 ? 48.242 21.332  17.457 1   89.11   ? 104 A 1 c
ATOM 620  H HA   . ILE Axp A 37 ? 45.791 20.403  16.583 1   94.645  ? 104 A 1 c
ATOM 621  H HB   . ILE Axp A 37 ? 47.529 19.57   18.639 1   110.039 ? 104 A 1 c
ATOM 622  H HG12 . ILE Axp A 37 ? 47.077 17.389  17.487 1   124.043 ? 104 A 1 c
ATOM 623  H HG13 . ILE Axp A 37 ? 48.174 18.383  16.939 1   123.991 ? 104 A 1 c
ATOM 624  H HG21 . ILE Axp A 37 ? 45.876 17.899  19.284 1   111.235 ? 104 A 1 c
ATOM 625  H HG22 . ILE Axp A 37 ? 44.809 18.847  18.595 1   110.978 ? 104 A 1 c
ATOM 626  H HG23 . ILE Axp A 37 ? 45.647 19.365  19.839 1   110.969 ? 104 A 1 c
ATOM 627  H HD11 . ILE Axp A 37 ? 45.552 18.439  15.868 1   131.052 ? 104 A 1 c
ATOM 628  H HD12 . ILE Axp A 37 ? 46.656 17.456  15.278 1   131.36  ? 104 A 1 c
ATOM 629  H HD13 . ILE Axp A 37 ? 46.867 19.031  15.19  1   130.965 ? 104 A 1 c
ATOM 630  N N    . GLU Axp A 38 ? 44.17  21.496  18.124 1   83.696  ? 105 A 1 .
ATOM 631  C CA   . GLU Axp A 38 ? 43.336 22.308  18.988 1   87.837  ? 105 A 1 .
ATOM 632  C C    . GLU Axp A 38 ? 42.563 21.435  19.967 1   97.026  ? 105 A 1 .
ATOM 633  O O    . GLU Axp A 38 ? 41.762 20.587  19.572 1   100.634 ? 105 A 1 .
ATOM 634  C CB   . GLU Axp A 38 ? 42.359 23.129  18.168 1   101.082 ? 105 A 1 .
ATOM 635  C CG   . GLU Axp A 38 ? 41.51  24.049  19.033 1   111.502 ? 105 A 1 .
ATOM 636  C CD   . GLU Axp A 38 ? 40.575 24.897  18.192 1   125.457 ? 105 A 1 .
ATOM 637  O OE1  . GLU Axp A 38 ? 40.205 24.506  17.054 1   132.632 ? 105 A 1 .
ATOM 638  O OE2  . GLU Axp A 38 ? 40.25  25.989  18.69  1   127.103 ? 105 A 1 .
ATOM 639  H H    . GLU Axp A 38 ? 43.782 20.952  17.5   1   84.661  ? 105 A 1 c
ATOM 640  H HA   . GLU Axp A 38 ? 43.915 22.929  19.498 1   90.96   ? 105 A 1 c
ATOM 641  H HB3  . GLU Axp A 38 ? 41.776 22.52   17.668 1   100.236 ? 105 A 1 c
ATOM 642  H HB2  . GLU Axp A 38 ? 42.86  23.665  17.518 1   100.115 ? 105 A 1 c
ATOM 643  H HG3  . GLU Axp A 38 ? 42.094 24.638  19.555 1   112.11  ? 105 A 1 c
ATOM 644  H HG2  . GLU Axp A 38 ? 40.975 23.514  19.654 1   111.993 ? 105 A 1 c
ATOM 645  N N    . LEU Axp A 39 ? 42.79  21.695  21.257 1   101.048 ? 106 A 1 .
ATOM 646  C CA   . LEU Axp A 39 ? 42.117 20.969  22.319 1   95.458  ? 106 A 1 .
ATOM 647  C C    . LEU Axp A 39 ? 40.739 21.576  22.5   1   91.27   ? 106 A 1 .
ATOM 648  O O    . LEU Axp A 39 ? 40.424 22.543  21.826 1   114.792 ? 106 A 1 .
ATOM 649  C CB   . LEU Axp A 39 ? 42.934 21.086  23.599 1   92.922  ? 106 A 1 .
ATOM 650  C CG   . LEU Axp A 39 ? 44.322 20.45   23.575 1   96.415  ? 106 A 1 .
ATOM 651  C CD1  . LEU Axp A 39 ? 45.065 20.832  24.834 1   110.549 ? 106 A 1 .
ATOM 652  C CD2  . LEU Axp A 39 ? 44.204 18.951  23.462 1   101.25  ? 106 A 1 .
ATOM 653  H H    . LEU Axp A 39 ? 43.38  22.354  21.483 1   98.434  ? 106 A 1 c
ATOM 654  H HA   . LEU Axp A 39 ? 42.031 20.017  22.06  1   95.329  ? 106 A 1 c
ATOM 655  H HB3  . LEU Axp A 39 ? 42.42  20.675  24.33  1   94.352  ? 106 A 1 c
ATOM 656  H HB2  . LEU Axp A 39 ? 43.032 22.04   23.816 1   94.371  ? 106 A 1 c
ATOM 657  H HG   . LEU Axp A 39 ? 44.82  20.796  22.79  1   99.144  ? 106 A 1 c
ATOM 658  H HD11 . LEU Axp A 39 ? 45.037 21.797  24.95  1   105.921 ? 106 A 1 c
ATOM 659  H HD12 . LEU Axp A 39 ? 45.99  20.542  24.766 1   106.048 ? 106 A 1 c
ATOM 660  H HD13 . LEU Axp A 39 ? 44.649 20.403  25.6   1   105.868 ? 106 A 1 c
ATOM 661  H HD21 . LEU Axp A 39 ? 43.987 18.711  22.545 1   99.698  ? 106 A 1 c
ATOM 662  H HD22 . LEU Axp A 39 ? 43.502 18.634  24.052 1   99.614  ? 106 A 1 c
ATOM 663  H HD23 . LEU Axp A 39 ? 45.047 18.538  23.712 1   99.499  ? 106 A 1 c
ATOM 664  N N    . ASP Axp A 40 ? 39.97  21.052  23.454 1   96.089  ? 107 A 1 .
ATOM 665  C CA   . ASP Axp A 40 ? 38.577 21.426  23.609 1   111.01  ? 107 A 1 .
ATOM 666  C C    . ASP Axp A 40 ? 38.296 22.094  24.961 1   101.632 ? 107 A 1 .
ATOM 667  O O    . ASP Axp A 40 ? 37.145 22.328  25.308 1   130.974 ? 107 A 1 .
ATOM 668  C CB   . ASP Axp A 40 ? 37.711 20.202  23.372 1   122.274 ? 107 A 1 .
ATOM 669  C CG   . ASP Axp A 40 ? 37.882 19.092  24.4   1   136.366 ? 107 A 1 .
ATOM 670  O OD1  . ASP Axp A 40 ? 38.378 19.382  25.527 1   124.83  ? 107 A 1 .
ATOM 671  O OD2  . ASP Axp A 40 ? 37.551 17.939  24.046 1   148.056 ? 107 A 1 .
ATOM 672  H H    . ASP Axp A 40 ? 40.321 20.427  24.021 1   98.131  ? 107 A 1 c
ATOM 673  H HA   . ASP Axp A 40 ? 38.35  22.07   22.901 1   108.106 ? 107 A 1 c
ATOM 674  H HB3  . ASP Axp A 40 ? 37.92  19.835  22.488 1   122.639 ? 107 A 1 c
ATOM 675  H HB2  . ASP Axp A 40 ? 36.77  20.476  23.37  1   122.673 ? 107 A 1 c
ATOM 676  N N    . LYS Axp A 41 ? 39.328 22.404  25.738 1   90.65   ? 108 A 1 .
ATOM 677  C CA   . LYS Axp A 41 ? 39.144 23.116  26.99  1   91.698  ? 108 A 1 .
ATOM 678  C C    . LYS Axp A 41 ? 39.312 24.607  26.708 1   90.886  ? 108 A 1 .
ATOM 679  O O    . LYS Axp A 41 ? 40.177 24.975  25.927 1   99.419  ? 108 A 1 .
ATOM 680  C CB   . LYS Axp A 41 ? 40.147 22.565  28.009 1   94.453  ? 108 A 1 .
ATOM 681  C CG   . LYS Axp A 41 ? 40.402 23.429  29.242 1   108.661 ? 108 A 1 .
ATOM 682  C CD   . LYS Axp A 41 ? 40.687 22.639  30.513 1   118.683 ? 108 A 1 .
ATOM 683  C CE   . LYS Axp A 41 ? 39.587 21.636  30.782 1   126.473 ? 108 A 1 .
ATOM 684  N NZ   . LYS Axp A 41 ? 39.739 20.952  32.069 1   125.921 ? 108 A 1 .
ATOM 685  H H    . LYS Axp A 41 ? 40.175 22.175  25.481 1   93.594  ? 108 A 1 c
ATOM 686  H HA   . LYS Axp A 41 ? 38.225 22.95   27.32  1   92.125  ? 108 A 1 c
ATOM 687  H HB3  . LYS Axp A 41 ? 41.006 22.43   27.553 1   96.914  ? 108 A 1 c
ATOM 688  H HB2  . LYS Axp A 41 ? 39.832 21.685  28.301 1   97.34   ? 108 A 1 c
ATOM 689  H HG3  . LYS Axp A 41 ? 39.615 23.995  29.392 1   107.392 ? 108 A 1 c
ATOM 690  H HG2  . LYS Axp A 41 ? 41.162 24.019  29.057 1   107.432 ? 108 A 1 c
ATOM 691  H HD3  . LYS Axp A 41 ? 40.751 23.259  31.272 1   118.054 ? 108 A 1 c
ATOM 692  H HD2  . LYS Axp A 41 ? 41.542 22.171  30.427 1   118.122 ? 108 A 1 c
ATOM 693  H HE3  . LYS Axp A 41 ? 39.58  20.958  30.084 1   124.133 ? 108 A 1 c
ATOM 694  H HE2  . LYS Axp A 41 ? 38.726 22.091  30.767 1   124.676 ? 108 A 1 c
ATOM 695  H HZ1  . LYS Axp A 41 ? 39.792 21.563  32.735 1   125.938 ? 108 A 1 c
ATOM 696  H HZ2  . LYS Axp A 41 ? 40.492 20.449  32.062 1   126.152 ? 108 A 1 c
ATOM 697  H HZ3  . LYS Axp A 41 ? 39.022 20.418  32.213 1   126.225 ? 108 A 1 c
ATOM 698  N N    . LEU Axp A 42 ? 38.501 25.457  27.353 1   95.537  ? 109 A 1 .
ATOM 699  C CA   . LEU Axp A 42 ? 38.542 26.897  27.132 1   99.423  ? 109 A 1 .
ATOM 700  C C    . LEU Axp A 42 ? 39.621 27.53   27.999 1   98.139  ? 109 A 1 .
ATOM 701  O O    . LEU Axp A 42 ? 40.005 26.975  29.019 1   96.143  ? 109 A 1 .
ATOM 702  C CB   . LEU Axp A 42 ? 37.166 27.481  27.415 1   103.719 ? 109 A 1 .
ATOM 703  C CG   . LEU Axp A 42 ? 36.042 26.776  26.653 1   117.382 ? 109 A 1 .
ATOM 704  C CD1  . LEU Axp A 42 ? 34.692 26.994  27.307 1   128.155 ? 109 A 1 .
ATOM 705  C CD2  . LEU Axp A 42 ? 36.049 27.231  25.195 1   117.621 ? 109 A 1 .
ATOM 706  H H    . LEU Axp A 42 ? 37.91  25.125  27.966 1   95.764  ? 109 A 1 c
ATOM 707  H HA   . LEU Axp A 42 ? 38.771 27.059  26.182 1   99.304  ? 109 A 1 c
ATOM 708  H HB3  . LEU Axp A 42 ? 37.172 28.433  27.161 1   105.785 ? 109 A 1 c
ATOM 709  H HB2  . LEU Axp A 42 ? 36.988 27.411  28.381 1   106.063 ? 109 A 1 c
ATOM 710  H HG   . LEU Axp A 42 ? 36.224 25.802  26.663 1   116.38  ? 109 A 1 c
ATOM 711  H HD11 . LEU Axp A 42 ? 34.751 26.79   28.255 1   124.783 ? 109 A 1 c
ATOM 712  H HD12 . LEU Axp A 42 ? 34.033 26.411  26.892 1   124.846 ? 109 A 1 c
ATOM 713  H HD13 . LEU Axp A 42 ? 34.421 27.92   27.192 1   124.846 ? 109 A 1 c
ATOM 714  H HD21 . LEU Axp A 42 ? 36.961 27.253  24.863 1   117.248 ? 109 A 1 c
ATOM 715  H HD22 . LEU Axp A 42 ? 35.66  28.12   25.131 1   117.478 ? 109 A 1 c
ATOM 716  H HD23 . LEU Axp A 42 ? 35.525 26.611  24.66  1   117.478 ? 109 A 1 c
ATOM 717  N N    . THR Axp A 43 ? 40.12  28.69   27.567 1   109.5   ? 110 A 1 .
ATOM 718  C CA   . THR Axp A 43 ? 41.265 29.299  28.217 1   114.822 ? 110 A 1 .
ATOM 719  C C    . THR Axp A 43 ? 40.902 29.504  29.675 1   119.553 ? 110 A 1 .
ATOM 720  O O    . THR Axp A 43 ? 41.746 29.321  30.543 1   142.951 ? 110 A 1 .
ATOM 721  C CB   . THR Axp A 43 ? 41.662 30.64   27.604 1   126.644 ? 110 A 1 .
ATOM 722  O OG1  . THR Axp A 43 ? 41.655 30.516  26.186 1   136.539 ? 110 A 1 .
ATOM 723  C CG2  . THR Axp A 43 ? 43.035 31.086  28.077 1   127.313 ? 110 A 1 .
ATOM 724  H H    . THR Axp A 43 ? 39.738 29.111  26.852 1   107.809 ? 110 A 1 c
ATOM 725  H HA   . THR Axp A 43 ? 42.027 28.682  28.158 1   116.745 ? 110 A 1 c
ATOM 726  H HB   . THR Axp A 43 ? 41.002 31.325  27.869 1   126.332 ? 110 A 1 c
ATOM 727  H HG1  . THR Axp A 43 ? 42.002 30.228  25.841 0   111.96  ? 110 A 1 c
ATOM 728  H HG21 . THR Axp A 43 ? 43.351 31.814  27.516 1   127.088 ? 110 A 1 c
ATOM 729  H HG22 . THR Axp A 43 ? 43.657 30.341  28.019 1   127.029 ? 110 A 1 c
ATOM 730  H HG23 . THR Axp A 43 ? 42.979 31.389  28.999 1   127.061 ? 110 A 1 c
ATOM 731  N N    . GLY Axp A 44 ? 39.639 29.874  29.916 1   111.038 ? 111 A 1 .
ATOM 732  C CA   . GLY Axp A 44 ? 39.21  30.346  31.226 1   122.97  ? 111 A 1 .
ATOM 733  C C    . GLY Axp A 44 ? 39.168 29.255  32.298 1   114.696 ? 111 A 1 .
ATOM 734  O O    . GLY Axp A 44 ? 39.521 29.507  33.451 1   120.15  ? 111 A 1 .
ATOM 735  H H    . GLY Axp A 44 ? 39.024 29.848  29.241 1   115.476 ? 111 A 1 c
ATOM 736  H HA3  . GLY Axp A 44 ? 38.312 30.744  31.137 1   118.162 ? 111 A 1 c
ATOM 737  H HA2  . GLY Axp A 44 ? 39.823 31.06   31.518 1   118.168 ? 111 A 1 c
ATOM 738  N N    . GLU Axp A 45 ? 38.744 28.046  31.908 1   113.941 ? 112 A 1 .
ATOM 739  C CA   . GLU Axp A 45 ? 38.273 27.05   32.857 1   116.428 ? 112 A 1 .
ATOM 740  C C    . GLU Axp A 45 ? 39.428 26.231  33.428 1   107.174 ? 112 A 1 .
ATOM 741  O O    . GLU Axp A 45 ? 40.452 26.031  32.789 1   109.668 ? 112 A 1 .
ATOM 742  C CB   . GLU Axp A 45 ? 37.182 26.163  32.256 1   121.184 ? 112 A 1 .
ATOM 743  C CG   . GLU Axp A 45 ? 37.517 25.605  30.877 1   129.733 ? 112 A 1 .
ATOM 744  C CD   . GLU Axp A 45 ? 36.598 24.495  30.379 1   149.047 ? 112 A 1 .
ATOM 745  O OE1  . GLU Axp A 45 ? 36.567 23.439  31.053 1   171.525 ? 112 A 1 .
ATOM 746  O OE2  . GLU Axp A 45 ? 35.926 24.659  29.327 1   136.583 ? 112 A 1 .
ATOM 747  H H    . GLU Axp A 45 ? 38.762 27.835  31.02  1   114.944 ? 112 A 1 c
ATOM 748  H HA   . GLU Axp A 45 ? 37.853 27.542  33.607 1   114.99  ? 112 A 1 c
ATOM 749  H HB3  . GLU Axp A 45 ? 36.355 26.684  32.19  1   121.982 ? 112 A 1 c
ATOM 750  H HB2  . GLU Axp A 45 ? 37.014 25.413  32.863 1   122.034 ? 112 A 1 c
ATOM 751  H HG3  . GLU Axp A 45 ? 38.435 25.262  30.89  1   131.473 ? 112 A 1 c
ATOM 752  H HG2  . GLU Axp A 45 ? 37.49  26.336  30.226 1   131.385 ? 112 A 1 c
ATOM 753  N N    . PRO Axp A 46 ? 39.261 25.681  34.649 1   103.666 ? 113 A 1 .
ATOM 754  C CA   . PRO Axp A 46 ? 40.346 25.026  35.363 1   101.507 ? 113 A 1 .
ATOM 755  C C    . PRO Axp A 46 ? 40.696 23.672  34.765 1   99.153  ? 113 A 1 .
ATOM 756  O O    . PRO Axp A 46 ? 39.844 23.072  34.122 1   100.22  ? 113 A 1 .
ATOM 757  C CB   . PRO Axp A 46 ? 39.777 24.835  36.761 1   109.119 ? 113 A 1 .
ATOM 758  C CG   . PRO Axp A 46 ? 38.468 25.608  36.783 1   114.506 ? 113 A 1 .
ATOM 759  C CD   . PRO Axp A 46 ? 37.99  25.603  35.382 1   109.602 ? 113 A 1 .
ATOM 760  H HA   . PRO Axp A 46 ? 41.136 25.605  35.383 1   102.841 ? 113 A 1 c
ATOM 761  H HB3  . PRO Axp A 46 ? 40.393 25.182  37.435 1   108.525 ? 113 A 1 c
ATOM 762  H HB2  . PRO Axp A 46 ? 39.62  23.889  36.947 1   108.516 ? 113 A 1 c
ATOM 763  H HG3  . PRO Axp A 46 ? 38.61  26.524  37.093 1   112.133 ? 113 A 1 c
ATOM 764  H HG2  . PRO Axp A 46 ? 37.817 25.174  37.369 1   112.133 ? 113 A 1 c
ATOM 765  H HD3  . PRO Axp A 46 ? 37.511 24.779  35.166 1   109.299 ? 113 A 1 c
ATOM 766  H HD2  . PRO Axp A 46 ? 37.422 26.372  35.196 1   109.377 ? 113 A 1 c
ATOM 767  N N    . VAL Axp A 47 ? 41.917 23.186  35.029 1   100.669 ? 114 A 1 .
ATOM 768  C CA   . VAL Axp A 47 ? 42.442 21.989  34.38  1   101.192 ? 114 A 1 .
ATOM 769  C C    . VAL Axp A 47 ? 42.181 20.747  35.223 1   98.87   ? 114 A 1 .
ATOM 770  O O    . VAL Axp A 47 ? 42.132 20.817  36.45  1   93.622  ? 114 A 1 .
ATOM 771  C CB   . VAL Axp A 47 ? 43.944 22.086  34.069 1   95.158  ? 114 A 1 .
ATOM 772  C CG1  . VAL Axp A 47 ? 44.171 22.951  32.837 1   111.282 ? 114 A 1 .
ATOM 773  C CG2  . VAL Axp A 47 ? 44.752 22.567  35.27  1   77.146  ? 114 A 1 .
ATOM 774  H H    . VAL Axp A 47 ? 42.438 23.616  35.645 1   100.12  ? 114 A 1 c
ATOM 775  H HA   . VAL Axp A 47 ? 41.971 21.88   33.532 1   99.675  ? 114 A 1 c
ATOM 776  H HB   . VAL Axp A 47 ? 44.253 21.175  33.851 1   95.295  ? 114 A 1 c
ATOM 777  H HG11 . VAL Axp A 47 ? 43.758 23.821  32.971 1   106.257 ? 114 A 1 c
ATOM 778  H HG12 . VAL Axp A 47 ? 43.775 22.521  32.061 1   106.257 ? 114 A 1 c
ATOM 779  H HG13 . VAL Axp A 47 ? 45.125 23.065  32.692 1   106.257 ? 114 A 1 c
ATOM 780  H HG21 . VAL Axp A 47 ? 45.665 22.242  35.197 1   82.19   ? 114 A 1 c
ATOM 781  H HG22 . VAL Axp A 47 ? 44.354 22.23   36.089 1   82.364  ? 114 A 1 c
ATOM 782  H HG23 . VAL Axp A 47 ? 44.757 23.539  35.289 1   82.386  ? 114 A 1 c
ATOM 783  N N    . ASP Axp A 48 ? 42.102 19.607  34.524 1   91.899  ? 115 A 1 .
ATOM 784  C CA   . ASP Axp A 48 ? 41.618 18.367  35.101 1   107.419 ? 115 A 1 .
ATOM 785  C C    . ASP Axp A 48 ? 42.743 17.64   35.819 1   99.588  ? 115 A 1 .
ATOM 786  O O    . ASP Axp A 48 ? 43.867 17.581  35.328 1   99.161  ? 115 A 1 .
ATOM 787  C CB   . ASP Axp A 48 ? 41.021 17.442  34.054 1   134.013 ? 115 A 1 .
ATOM 788  C CG   . ASP Axp A 48 ? 39.739 17.94   33.4   1   143.329 ? 115 A 1 .
ATOM 789  O OD1  . ASP Axp A 48 ? 38.912 18.535  34.119 1   110.79  ? 115 A 1 .
ATOM 790  O OD2  . ASP Axp A 48 ? 39.565 17.707  32.181 1   165.092 ? 115 A 1 .
ATOM 791  H H    . ASP Axp A 48 ? 42.367 19.606  33.649 1   97.135  ? 115 A 1 c
ATOM 792  H HA   . ASP Axp A 48 ? 40.914 18.584  35.754 1   106.816 ? 115 A 1 c
ATOM 793  H HB3  . ASP Axp A 48 ? 40.831 16.575  34.47  1   129.191 ? 115 A 1 c
ATOM 794  H HB2  . ASP Axp A 48 ? 41.685 17.298  33.349 1   129.368 ? 115 A 1 c
ATOM 795  N N    . ILE Axp A 49 ? 42.4   17.07   36.977 1   93.559  ? 116 A 1 .
ATOM 796  C CA   . ILE Axp A 49 ? 43.376 16.396  37.807 1   92.638  ? 116 A 1 .
ATOM 797  C C    . ILE Axp A 49 ? 42.862 15.001  38.069 1   95.733  ? 116 A 1 .
ATOM 798  O O    . ILE Axp A 49 ? 42.087 14.781  38.987 1   114.984 ? 116 A 1 .
ATOM 799  C CB   . ILE Axp A 49 ? 43.625 17.12   39.136 1   87.488  ? 116 A 1 .
ATOM 800  C CG1  . ILE Axp A 49 ? 43.915 18.589  38.937 1   90.844  ? 116 A 1 .
ATOM 801  C CG2  . ILE Axp A 49 ? 44.743 16.426  39.909 1   87.249  ? 116 A 1 .
ATOM 802  C CD1  . ILE Axp A 49 ? 44.134 19.334  40.236 1   91.195  ? 116 A 1 .
ATOM 803  H H    . ILE Axp A 49 ? 41.53  17.1    37.257 1   94.937  ? 116 A 1 c
ATOM 804  H HA   . ILE Axp A 49 ? 44.221 16.337  37.322 1   92.587  ? 116 A 1 c
ATOM 805  H HB   . ILE Axp A 49 ? 42.808 17.053  39.669 1   89.19   ? 116 A 1 c
ATOM 806  H HG12 . ILE Axp A 49 ? 43.164 19      38.462 1   90.179  ? 116 A 1 c
ATOM 807  H HG13 . ILE Axp A 49 ? 44.712 18.684  38.378 1   90.231  ? 116 A 1 c
ATOM 808  H HG21 . ILE Axp A 49 ? 44.878 16.872  40.761 1   87.376  ? 116 A 1 c
ATOM 809  H HG22 . ILE Axp A 49 ? 45.566 16.462  39.393 1   87.341  ? 116 A 1 c
ATOM 810  H HG23 . ILE Axp A 49 ? 44.504 15.498  40.068 1   87.375  ? 116 A 1 c
ATOM 811  H HD11 . ILE Axp A 49 ? 43.552 18.966  40.928 1   91.06   ? 116 A 1 c
ATOM 812  H HD12 . ILE Axp A 49 ? 43.927 20.28   40.11  1   91.076  ? 116 A 1 c
ATOM 813  H HD13 . ILE Axp A 49 ? 45.065 19.242  40.513 1   91.043  ? 116 A 1 c
ATOM 814  N N    . LEU Axp A 50 ? 43.333 14.051  37.28  1   100.223 ? 117 A 1 .
ATOM 815  C CA   . LEU Axp A 50 ? 42.853 12.695  37.447 1   101.906 ? 117 A 1 .
ATOM 816  C C    . LEU Axp A 50 ? 43.939 11.837  38.093 1   103.906 ? 117 A 1 .
ATOM 817  O O    . LEU Axp A 50 ? 45.119 11.978  37.785 1   103.433 ? 117 A 1 .
ATOM 818  C CB   . LEU Axp A 50 ? 42.328 12.135  36.126 1   93.074  ? 117 A 1 .
ATOM 819  C CG   . LEU Axp A 50 ? 42.554 12.971  34.864 1   94.75   ? 117 A 1 .
ATOM 820  C CD1  . LEU Axp A 50 ? 43.93  12.729  34.276 1   106.129 ? 117 A 1 .
ATOM 821  C CD2  . LEU Axp A 50 ? 41.485 12.659  33.852 1   98.309  ? 117 A 1 .
ATOM 822  H H    . LEU Axp A 50 ? 43.982 14.234  36.664 1   99.403  ? 117 A 1 c
ATOM 823  H HA   . LEU Axp A 50 ? 42.095 12.726  38.082 1   100.403 ? 117 A 1 c
ATOM 824  H HB3  . LEU Axp A 50 ? 41.363 11.978  36.221 1   95.582  ? 117 A 1 c
ATOM 825  H HB2  . LEU Axp A 50 ? 42.739 11.251  35.986 1   95.59   ? 117 A 1 c
ATOM 826  H HG   . LEU Axp A 50 ? 42.477 13.931  35.101 1   97.164  ? 117 A 1 c
ATOM 827  H HD11 . LEU Axp A 50 ? 44.601 13.147  34.84  1   102.456 ? 117 A 1 c
ATOM 828  H HD12 . LEU Axp A 50 ? 43.976 13.112  33.386 1   102.637 ? 117 A 1 c
ATOM 829  H HD13 . LEU Axp A 50 ? 44.1   11.774  34.225 1   102.546 ? 117 A 1 c
ATOM 830  H HD21 . LEU Axp A 50 ? 40.616 12.907  34.209 1   97.303  ? 117 A 1 c
ATOM 831  H HD22 . LEU Axp A 50 ? 41.493 11.707  33.653 1   97.28   ? 117 A 1 c
ATOM 832  H HD23 . LEU Axp A 50 ? 41.653 13.16   33.037 1   97.399  ? 117 A 1 c
ATOM 833  N N    . VAL Axp A 51 ? 43.511 10.967  39.019 1   106.126 ? 118 A 1 .
ATOM 834  C CA   . VAL Axp A 51 ? 44.353 9.89    39.525 1   116.81  ? 118 A 1 .
ATOM 835  C C    . VAL Axp A 51 ? 43.862 8.542   39     1   120.701 ? 118 A 1 .
ATOM 836  O O    . VAL Axp A 51 ? 42.665 8.259   38.968 1   100.463 ? 118 A 1 .
ATOM 837  C CB   . VAL Axp A 51 ? 44.473 9.854   41.056 1   113.641 ? 118 A 1 .
ATOM 838  C CG1  . VAL Axp A 51 ? 45.54  10.825  41.534 1   128.302 ? 118 A 1 .
ATOM 839  C CG2  . VAL Axp A 51 ? 43.145 10.12   41.742 1   112.266 ? 118 A 1 .
ATOM 840  H H    . VAL Axp A 51 ? 42.658 11.043  39.339 1   107.851 ? 118 A 1 c
ATOM 841  H HA   . VAL Axp A 51 ? 45.251 10.033  39.168 1   114.924 ? 118 A 1 c
ATOM 842  H HB   . VAL Axp A 51 ? 44.763 8.945   41.304 1   116.604 ? 118 A 1 c
ATOM 843  H HG11 . VAL Axp A 51 ? 45.326 11.72   41.222 1   123.414 ? 118 A 1 c
ATOM 844  H HG12 . VAL Axp A 51 ? 46.404 10.557  41.181 1   123.113 ? 118 A 1 c
ATOM 845  H HG13 . VAL Axp A 51 ? 45.572 10.821  42.505 1   123.582 ? 118 A 1 c
ATOM 846  H HG21 . VAL Axp A 51 ? 43.141 9.694   42.616 1   112.601 ? 118 A 1 c
ATOM 847  H HG22 . VAL Axp A 51 ? 42.42  9.759   41.204 1   112.501 ? 118 A 1 c
ATOM 848  H HG23 . VAL Axp A 51 ? 43.022 11.076  41.85  1   112.481 ? 118 A 1 c
ATOM 849  N N    . ASN Axp A 52 ? 44.827 7.704   38.605 1   130.21  ? 119 A 1 .
ATOM 850  C CA   . ASN Axp A 52 ? 44.54  6.452   37.928 1   137.066 ? 119 A 1 .
ATOM 851  C C    . ASN Axp A 52 ? 43.41  6.677   36.928 1   122.548 ? 119 A 1 .
ATOM 852  O O    . ASN Axp A 52 ? 42.344 6.08    37.047 1   120.186 ? 119 A 1 .
ATOM 853  C CB   . ASN Axp A 52 ? 44.24  5.323   38.913 1   137.867 ? 119 A 1 .
ATOM 854  C CG   . ASN Axp A 52 ? 45.488 4.671   39.463 1   140.792 ? 119 A 1 .
ATOM 855  O OD1  . ASN Axp A 52 ? 46.613 4.948   39.031 1   135.016 ? 119 A 1 .
ATOM 856  N ND2  . ASN Axp A 52 ? 45.31  3.776   40.415 1   143.28  ? 119 A 1 .
ATOM 857  H H    . ASN Axp A 52 ? 45.7   7.92    38.77  1   129.145 ? 119 A 1 c
ATOM 858  H HA   . ASN Axp A 52 ? 45.342 6.194   37.42  1   133.127 ? 119 A 1 c
ATOM 859  H HB3  . ASN Axp A 52 ? 43.701 4.641   38.465 1   138.122 ? 119 A 1 c
ATOM 860  H HB2  . ASN Axp A 52 ? 43.714 5.681   39.656 1   138.229 ? 119 A 1 c
ATOM 861  H HD21 . ASN Axp A 52 ? 45.885 3.726   41.088 1   142.275 ? 119 A 1 c
ATOM 862  H HD22 . ASN Axp A 52 ? 44.616 3.224   40.38  1   142.425 ? 119 A 1 c
ATOM 863  N N    . GLY Axp A 53 ? 43.642 7.584   35.974 1   118.325 ? 120 A 1 .
ATOM 864  C CA   . GLY Axp A 53 ? 42.748 7.76    34.838 1   127.92  ? 120 A 1 .
ATOM 865  C C    . GLY Axp A 53 ? 41.397 8.383   35.202 1   117.633 ? 120 A 1 .
ATOM 866  O O    . GLY Axp A 53 ? 40.672 8.844   34.318 1   116.336 ? 120 A 1 .
ATOM 867  H H    . GLY Axp A 53 ? 44.386 8.111   36.031 1   121.588 ? 120 A 1 c
ATOM 868  H HA3  . GLY Axp A 53 ? 42.594 6.88    34.42  1   123.234 ? 120 A 1 c
ATOM 869  H HA2  . GLY Axp A 53 ? 43.196 8.331   34.171 1   123.237 ? 120 A 1 c
ATOM 870  N N    . LYS Axp A 54 ? 41.062 8.41    36.499 1   100.911 ? 121 A 1 .
ATOM 871  C CA   . LYS Axp A 54 ? 39.727 8.791   36.929 1   104.802 ? 121 A 1 .
ATOM 872  C C    . LYS Axp A 54 ? 39.799 10.158  37.605 1   102.946 ? 121 A 1 .
ATOM 873  O O    . LYS Axp A 54 ? 40.57  10.359  38.536 1   101.434 ? 121 A 1 .
ATOM 874  C CB   . LYS Axp A 54 ? 39.117 7.672   37.785 1   118.103 ? 121 A 1 .
ATOM 875  C CG   . LYS Axp A 54 ? 38.913 6.342   37.018 1   132.605 ? 121 A 1 .
ATOM 876  C CD   . LYS Axp A 54 ? 38.728 5.043   37.808 1   137.771 ? 121 A 1 .
ATOM 877  C CE   . LYS Axp A 54 ? 37.312 4.683   38.16  1   144.611 ? 121 A 1 .
ATOM 878  N NZ   . LYS Axp A 54 ? 36.475 4.511   36.972 1   150.753 ? 121 A 1 .
ATOM 879  H H    . LYS Axp A 54 ? 41.683 8.206   37.135 1   105.988 ? 121 A 1 c
ATOM 880  H HA   . LYS Axp A 54 ? 39.159 8.878   36.122 1   106.098 ? 121 A 1 c
ATOM 881  H HB3  . LYS Axp A 54 ? 38.249 7.972   38.129 1   117.98  ? 121 A 1 c
ATOM 882  H HB2  . LYS Axp A 54 ? 39.703 7.504   38.553 1   117.98  ? 121 A 1 c
ATOM 883  H HG3  . LYS Axp A 54 ? 39.685 6.223   36.424 1   130.16  ? 121 A 1 c
ATOM 884  H HG2  . LYS Axp A 54 ? 38.132 6.456   36.436 1   130.479 ? 121 A 1 c
ATOM 885  H HD3  . LYS Axp A 54 ? 39.251 5.109   38.633 1   138.35  ? 121 A 1 c
ATOM 886  H HD2  . LYS Axp A 54 ? 39.115 4.309   37.283 1   138.229 ? 121 A 1 c
ATOM 887  H HE3  . LYS Axp A 54 ? 36.929 5.384   38.717 1   144.442 ? 121 A 1 c
ATOM 888  H HE2  . LYS Axp A 54 ? 37.307 3.854   38.672 1   144.442 ? 121 A 1 c
ATOM 889  H HZ1  . LYS Axp A 54 ? 36.973 4.205   36.28  1   148.659 ? 121 A 1 c
ATOM 890  H HZ2  . LYS Axp A 54 ? 36.102 5.304   36.742 1   148.667 ? 121 A 1 c
ATOM 891  H HZ3  . LYS Axp A 54 ? 35.816 3.915   37.148 1   148.77  ? 121 A 1 c
ATOM 892  N N    . LEU Axp A 55 ? 38.968 11.081  37.108 1   104.593 ? 122 A 1 .
ATOM 893  C CA   . LEU Axp A 55 ? 39.031 12.508  37.401 1   97.536  ? 122 A 1 .
ATOM 894  C C    . LEU Axp A 55 ? 38.541 12.768  38.812 1   86.909  ? 122 A 1 .
ATOM 895  O O    . LEU Axp A 55 ? 37.411 12.415  39.091 1   95.416  ? 122 A 1 .
ATOM 896  C CB   . LEU Axp A 55 ? 38.145 13.171  36.341 1   108.861 ? 122 A 1 .
ATOM 897  C CG   . LEU Axp A 55 ? 37.418 14.483  36.664 1   98.259  ? 122 A 1 .
ATOM 898  C CD1  . LEU Axp A 55 ? 38.179 15.37   37.579 1   96.002  ? 122 A 1 .
ATOM 899  C CD2  . LEU Axp A 55 ? 37.129 15.257  35.382 1   105.716 ? 122 A 1 .
ATOM 900  H H    . LEU Axp A 55 ? 38.306 10.791  36.548 1   102.666 ? 122 A 1 c
ATOM 901  H HA   . LEU Axp A 55 ? 39.961 12.823  37.307 1   98.644  ? 122 A 1 c
ATOM 902  H HB3  . LEU Axp A 55 ? 37.463 12.516  36.065 1   103.704 ? 122 A 1 c
ATOM 903  H HB2  . LEU Axp A 55 ? 38.701 13.323  35.543 1   103.681 ? 122 A 1 c
ATOM 904  H HG   . LEU Axp A 55 ? 36.552 14.262  37.095 1   101.028 ? 122 A 1 c
ATOM 905  H HD11 . LEU Axp A 55 ? 37.85  15.259  38.486 1   96.625  ? 122 A 1 c
ATOM 906  H HD12 . LEU Axp A 55 ? 38.061 16.296  37.308 1   96.808  ? 122 A 1 c
ATOM 907  H HD13 . LEU Axp A 55 ? 39.124 15.145  37.545 1   96.713  ? 122 A 1 c
ATOM 908  H HD21 . LEU Axp A 55 ? 36.746 14.657  34.72  1   103.43  ? 122 A 1 c
ATOM 909  H HD22 . LEU Axp A 55 ? 37.955 15.634  35.035 1   103.361 ? 122 A 1 c
ATOM 910  H HD23 . LEU Axp A 55 ? 36.5   15.974  35.569 1   103.394 ? 122 A 1 c
ATOM 911  N N    . ILE Axp A 56 ? 39.362 13.394  39.672 1   90.039  ? 123 A 1 .
ATOM 912  C CA   . ILE Axp A 56 ? 38.966 13.609  41.059 1   97.099  ? 123 A 1 .
ATOM 913  C C    . ILE Axp A 56 ? 39.048 15.069  41.504 1   98.815  ? 123 A 1 .
ATOM 914  O O    . ILE Axp A 56 ? 38.774 15.358  42.664 1   109.296 ? 123 A 1 .
ATOM 915  C CB   . ILE Axp A 56 ? 39.814 12.744  42.003 1   96.242  ? 123 A 1 .
ATOM 916  C CG1  . ILE Axp A 56 ? 41.229 13.269  42.112 1   94.296  ? 123 A 1 .
ATOM 917  C CG2  . ILE Axp A 56 ? 39.776 11.278  41.583 1   108.747 ? 123 A 1 .
ATOM 918  C CD1  . ILE Axp A 56 ? 41.748 13.259  43.532 1   104.157 ? 123 A 1 .
ATOM 919  H H    . ILE Axp A 56 ? 40.186 13.676  39.394 1   91.008  ? 123 A 1 c
ATOM 920  H HA   . ILE Axp A 56 ? 38.037 13.323  41.154 1   95.783  ? 123 A 1 c
ATOM 921  H HB   . ILE Axp A 56 ? 39.412 12.804  42.893 1   98.336  ? 123 A 1 c
ATOM 922  H HG12 . ILE Axp A 56 ? 41.262 14.185  41.771 1   96.986  ? 123 A 1 c
ATOM 923  H HG13 . ILE Axp A 56 ? 41.817 12.722  41.554 1   97.171  ? 123 A 1 c
ATOM 924  H HG21 . ILE Axp A 56 ? 39.922 10.713  42.36  1   104.849 ? 123 A 1 c
ATOM 925  H HG22 . ILE Axp A 56 ? 40.471 11.108  40.926 1   104.775 ? 123 A 1 c
ATOM 926  H HG23 . ILE Axp A 56 ? 38.909 11.073  41.194 1   104.746 ? 123 A 1 c
ATOM 927  H HD11 . ILE Axp A 56 ? 41.222 13.875  44.076 1   101.133 ? 123 A 1 c
ATOM 928  H HD12 . ILE Axp A 56 ? 42.683 13.537  43.541 1   101.133 ? 123 A 1 c
ATOM 929  H HD13 . ILE Axp A 56 ? 41.674 12.358  43.901 1   101.133 ? 123 A 1 c
ATOM 930  N N    . ALA Axp A 57 ? 39.478 15.983  40.635 1   99.151  ? 124 A 1 .
ATOM 931  C CA   . ALA Axp A 57 ? 39.702 17.356  41.052 1   90.897  ? 124 A 1 .
ATOM 932  C C    . ALA Axp A 57 ? 39.874 18.246  39.834 1   84.335  ? 124 A 1 .
ATOM 933  O O    . ALA Axp A 57 ? 39.958 17.784  38.705 1   96.77   ? 124 A 1 .
ATOM 934  C CB   . ALA Axp A 57 ? 40.912 17.441  41.954 1   92.217  ? 124 A 1 .
ATOM 935  H H    . ALA Axp A 57 ? 39.649 15.75   39.769 1   96.932  ? 124 A 1 c
ATOM 936  H HA   . ALA Axp A 57 ? 38.898 17.665  41.552 1   91.636  ? 124 A 1 c
ATOM 937  H HB3  . ALA Axp A 57 ? 41.31  18.326  41.893 1   91.678  ? 124 A 1 c
ATOM 938  H HB2  . ALA Axp A 57 ? 41.568 16.776  41.685 1   91.854  ? 124 A 1 c
ATOM 939  H HB1  . ALA Axp A 57 ? 40.647 17.274  42.874 1   92.002  ? 124 A 1 c
ATOM 940  N N    . ARG Axp A 58 ? 39.916 19.54   40.081 1   79.225  ? 125 A 1 .
ATOM 941  C CA   . ARG Axp A 58 ? 40.083 20.498  39.017 1   82.436  ? 125 A 1 .
ATOM 942  C C    . ARG Axp A 58 ? 40.782 21.666  39.68  1   76.996  ? 125 A 1 .
ATOM 943  O O    . ARG Axp A 58 ? 40.607 21.879  40.874 1   92.01   ? 125 A 1 .
ATOM 944  C CB   . ARG Axp A 58 ? 38.698 20.784  38.432 1   92.136  ? 125 A 1 .
ATOM 945  C CG   . ARG Axp A 58 ? 38.74  21.073  36.939 1   117.812 ? 125 A 1 .
ATOM 946  C CD   . ARG Axp A 58 ? 37.437 21.647  36.377 1   134.769 ? 125 A 1 .
ATOM 947  N NE   . ARG Axp A 58 ? 36.393 20.617  36.348 1   126.808 ? 125 A 1 .
ATOM 948  C CZ   . ARG Axp A 58 ? 36.08  19.897  35.282 1   136.424 ? 125 A 1 .
ATOM 949  N NH1  . ARG Axp A 58 ? 36.653 20.133  34.114 1   142.308 ? 125 A 1 .
ATOM 950  N NH2  . ARG Axp A 58 ? 35.191 18.934  35.391 1   139.166 ? 125 A 1 .
ATOM 951  H H    . ARG Axp A 58 ? 39.826 19.841  40.94  1   81.306  ? 125 A 1 c
ATOM 952  H HA   . ARG Axp A 58 ? 40.676 20.111  38.325 1   82.683  ? 125 A 1 c
ATOM 953  H HB3  . ARG Axp A 58 ? 38.309 21.556  38.895 1   94.92   ? 125 A 1 c
ATOM 954  H HB2  . ARG Axp A 58 ? 38.114 20.013  38.59  1   94.883  ? 125 A 1 c
ATOM 955  H HG3  . ARG Axp A 58 ? 38.949 20.241  36.462 1   114.789 ? 125 A 1 c
ATOM 956  H HG2  . ARG Axp A 58 ? 39.469 21.704  36.757 1   114.75  ? 125 A 1 c
ATOM 957  H HD3  . ARG Axp A 58 ? 37.589 21.987  35.472 1   129.033 ? 125 A 1 c
ATOM 958  H HD2  . ARG Axp A 58 ? 37.141 22.393  36.937 1   128.933 ? 125 A 1 c
ATOM 959  H HE   . ARG Axp A 58 ? 35.947 20.469  37.082 1   130.906 ? 125 A 1 c
ATOM 960  H HH11 . ARG Axp A 58 ? 37.506 19.933  33.995 1   140.351 ? 125 A 1 c
ATOM 961  H HH12 . ARG Axp A 58 ? 36.181 20.488  33.457 1   140.443 ? 125 A 1 c
ATOM 962  H HH21 . ARG Axp A 58 ? 35.204 18.402  36.097 1   138.316 ? 125 A 1 c
ATOM 963  H HH22 . ARG Axp A 58 ? 34.584 18.823  34.757 1   138.316 ? 125 A 1 c
ATOM 964  N N    . GLY Axp A 59 ? 41.638 22.366  38.954 1   75.745  ? 126 A 1 .
ATOM 965  C CA   . GLY Axp A 59 ? 42.438 23.363  39.637 1   83.911  ? 126 A 1 .
ATOM 966  C C    . GLY Axp A 59 ? 43.069 24.351  38.673 1   84.134  ? 126 A 1 .
ATOM 967  O O    . GLY Axp A 59 ? 43.047 24.129  37.458 1   82.388  ? 126 A 1 .
ATOM 968  H H    . GLY Axp A 59 ? 41.729 22.233  38.054 1   77.904  ? 126 A 1 c
ATOM 969  H HA3  . GLY Axp A 59 ? 43.147 22.908  40.149 1   81.99   ? 126 A 1 c
ATOM 970  H HA2  . GLY Axp A 59 ? 41.87  23.853  40.276 1   82.211  ? 126 A 1 c
ATOM 971  N N    . GLU Axp A 60 ? 43.633 25.423  39.242 1   81.329  ? 127 A 1 .
ATOM 972  C CA   . GLU Axp A 60 ? 44.35  26.365  38.416 1   97.847  ? 127 A 1 .
ATOM 973  C C    . GLU Axp A 60 ? 45.839 26.072  38.505 1   80.836  ? 127 A 1 .
ATOM 974  O O    . GLU Axp A 60 ? 46.349 25.77   39.576 1   77.076  ? 127 A 1 .
ATOM 975  C CB   . GLU Axp A 60 ? 44.062 27.85   38.636 1   122.26  ? 127 A 1 .
ATOM 976  C CG   . GLU Axp A 60 ? 44.415 28.661  37.381 1   164.585 ? 127 A 1 .
ATOM 977  C CD   . GLU Axp A 60 ? 44.091 28.051  35.997 1   179.667 ? 127 A 1 .
ATOM 978  O OE1  . GLU Axp A 60 ? 42.892 27.858  35.647 1   181.567 ? 127 A 1 .
ATOM 979  O OE2  . GLU Axp A 60 ? 45.052 27.74   35.237 1   146.282 ? 127 A 1 .
ATOM 980  H H    . GLU Axp A 60 ? 43.57  25.565  40.143 1   85.671  ? 127 A 1 c
ATOM 981  H HA   . GLU Axp A 60 ? 44.079 26.184  37.483 1   95.302  ? 127 A 1 c
ATOM 982  H HB3  . GLU Axp A 60 ? 44.587 28.169  39.4   1   123.962 ? 127 A 1 c
ATOM 983  H HB2  . GLU Axp A 60 ? 43.113 27.964  38.852 1   124.204 ? 127 A 1 c
ATOM 984  H HG3  . GLU Axp A 60 ? 45.376 28.855  37.403 1   156.761 ? 127 A 1 c
ATOM 985  H HG2  . GLU Axp A 60 ? 43.957 29.527  37.439 1   156.815 ? 127 A 1 c
ATOM 986  N N    . VAL Axp A 61 ? 46.491 26.18   37.341 1   74.544  ? 128 A 1 .
ATOM 987  C CA   . VAL Axp A 61 ? 47.926 26.02   37.195 1   79.303  ? 128 A 1 .
ATOM 988  C C    . VAL Axp A 61 ? 48.663 27.131  37.919 1   77.421  ? 128 A 1 .
ATOM 989  O O    . VAL Axp A 61 ? 48.32  28.294  37.755 1   89.763  ? 128 A 1 .
ATOM 990  C CB   . VAL Axp A 61 ? 48.342 26.066  35.721 1   78.136  ? 128 A 1 .
ATOM 991  C CG1  . VAL Axp A 61 ? 49.801 25.613  35.566 1   78.632  ? 128 A 1 .
ATOM 992  C CG2  . VAL Axp A 61 ? 47.371 25.268  34.854 1   80.433  ? 128 A 1 .
ATOM 993  H H    . VAL Axp A 61 ? 46.004 26.375  36.594 1   78.181  ? 128 A 1 c
ATOM 994  H HA   . VAL Axp A 61 ? 48.187 25.158  37.574 1   77.815  ? 128 A 1 c
ATOM 995  H HB   . VAL Axp A 61 ? 48.29  27.008  35.433 1   78.913  ? 128 A 1 c
ATOM 996  H HG11 . VAL Axp A 61 ? 49.944 24.797  36.074 1   78.523  ? 128 A 1 c
ATOM 997  H HG12 . VAL Axp A 61 ? 50.395 26.307  35.897 1   78.522  ? 128 A 1 c
ATOM 998  H HG13 . VAL Axp A 61 ? 49.992 25.447  34.628 1   78.661  ? 128 A 1 c
ATOM 999  H HG21 . VAL Axp A 61 ? 47.852 24.87   34.109 1   79.792  ? 128 A 1 c
ATOM 1000 H HG22 . VAL Axp A 61 ? 46.681 25.859  34.51  1   80.019  ? 128 A 1 c
ATOM 1001 H HG23 . VAL Axp A 61 ? 46.961 24.565  35.384 1   79.769  ? 128 A 1 c
ATOM 1002 N N    . VAL Axp A 62 ? 49.696 26.75   38.668 1   77.847  ? 129 A 1 .
ATOM 1003 C CA   . VAL Axp A 62 ? 50.584 27.71   39.293 1   87.065  ? 129 A 1 .
ATOM 1004 C C    . VAL Axp A 62 ? 51.997 27.418  38.803 1   94.004  ? 129 A 1 .
ATOM 1005 O O    . VAL Axp A 62 ? 52.189 26.545  37.95  1   71.648  ? 129 A 1 .
ATOM 1006 C CB   . VAL Axp A 62 ? 50.483 27.591  40.82  1   87.273  ? 129 A 1 .
ATOM 1007 C CG1  . VAL Axp A 62 ? 49.039 27.436  41.27  1   86.422  ? 129 A 1 .
ATOM 1008 C CG2  . VAL Axp A 62 ? 51.303 26.424  41.347 1   95.175  ? 129 A 1 .
ATOM 1009 H H    . VAL Axp A 62 ? 49.856 25.859  38.795 1   79.876  ? 129 A 1 c
ATOM 1010 H HA   . VAL Axp A 62 ? 50.329 28.613  39.021 1   86.391  ? 129 A 1 c
ATOM 1011 H HB   . VAL Axp A 62 ? 50.841 28.424  41.206 1   88.49   ? 129 A 1 c
ATOM 1012 H HG11 . VAL Axp A 62 ? 48.762 26.51   41.163 1   86.659  ? 129 A 1 c
ATOM 1013 H HG12 . VAL Axp A 62 ? 48.467 28.008  40.731 1   86.625  ? 129 A 1 c
ATOM 1014 H HG13 . VAL Axp A 62 ? 48.961 27.69   42.205 1   86.661  ? 129 A 1 c
ATOM 1015 H HG21 . VAL Axp A 62 ? 50.927 26.116  42.189 1   92.658  ? 129 A 1 c
ATOM 1016 H HG22 . VAL Axp A 62 ? 52.222 26.709  41.49  1   92.708  ? 129 A 1 c
ATOM 1017 H HG23 . VAL Axp A 62 ? 51.286 25.698  40.704 1   92.438  ? 129 A 1 c
ATOM 1018 N N    . VAL Axp A 63 ? 52.968 28.156  39.356 1   96.128  ? 130 A 1 .
ATOM 1019 C CA   . VAL Axp A 63 ? 54.356 27.756  39.232 1   86.595  ? 130 A 1 .
ATOM 1020 C C    . VAL Axp A 63 ? 55.034 27.834  40.584 1   89.492  ? 130 A 1 .
ATOM 1021 O O    . VAL Axp A 63 ? 55.274 28.922  41.098 1   104.859 ? 130 A 1 .
ATOM 1022 C CB   . VAL Axp A 63 ? 55.165 28.601  38.254 1   85.538  ? 130 A 1 .
ATOM 1023 C CG1  . VAL Axp A 63 ? 56.653 28.293  38.415 1   91.627  ? 130 A 1 .
ATOM 1024 C CG2  . VAL Axp A 63 ? 54.665 28.387  36.835 1   85.289  ? 130 A 1 .
ATOM 1025 H H    . VAL Axp A 63 ? 52.761 28.921  39.811 1   93.291  ? 130 A 1 c
ATOM 1026 H HA   . VAL Axp A 63 ? 54.382 26.829  38.927 1   88.6    ? 130 A 1 c
ATOM 1027 H HB   . VAL Axp A 63 ? 55.019 29.546  38.491 1   86.866  ? 130 A 1 c
ATOM 1028 H HG11 . VAL Axp A 63 ? 56.771 27.367  38.68  1   89.749  ? 130 A 1 c
ATOM 1029 H HG12 . VAL Axp A 63 ? 57.035 28.875  39.093 1   89.844  ? 130 A 1 c
ATOM 1030 H HG13 . VAL Axp A 63 ? 57.108 28.445  37.569 1   89.742  ? 130 A 1 c
ATOM 1031 H HG21 . VAL Axp A 63 ? 55.198 28.918  36.219 1   85.412  ? 130 A 1 c
ATOM 1032 H HG22 . VAL Axp A 63 ? 53.734 28.659  36.774 1   85.458  ? 130 A 1 c
ATOM 1033 H HG23 . VAL Axp A 63 ? 54.743 27.447  36.601 1   85.39   ? 130 A 1 c
ATOM 1034 N N    . ILE Axp A 64 ? 55.384 26.66   41.098 1   88.084  ? 131 A 1 .
ATOM 1035 C CA   . ILE Axp A 64 ? 56.298 26.553  42.211 1   86.668  ? 131 A 1 .
ATOM 1036 C C    . ILE Axp A 64 ? 57.703 26.593  41.637 1   86.948  ? 131 A 1 .
ATOM 1037 O O    . ILE Axp A 64 ? 58.197 25.58   41.182 1   96.086  ? 131 A 1 .
ATOM 1038 C CB   . ILE Axp A 64 ? 56.037 25.271  43.008 1   91.285  ? 131 A 1 .
ATOM 1039 C CG1  . ILE Axp A 64 ? 54.657 25.318  43.675 1   94.552  ? 131 A 1 .
ATOM 1040 C CG2  . ILE Axp A 64 ? 57.161 25.019  44.012 1   92.239  ? 131 A 1 .
ATOM 1041 C CD1  . ILE Axp A 64 ? 53.581 24.558  42.925 1   92.459  ? 131 A 1 .
ATOM 1042 H H    . ILE Axp A 64 ? 55.044 25.894  40.734 1   88.171  ? 131 A 1 c
ATOM 1043 H HA   . ILE Axp A 64 ? 56.171 27.32   42.802 1   88.212  ? 131 A 1 c
ATOM 1044 H HB   . ILE Axp A 64 ? 56.033 24.526  42.375 1   91.187  ? 131 A 1 c
ATOM 1045 H HG12 . ILE Axp A 64 ? 54.378 26.253  43.761 1   93.242  ? 131 A 1 c
ATOM 1046 H HG13 . ILE Axp A 64 ? 54.73  24.945  44.575 1   93.291  ? 131 A 1 c
ATOM 1047 H HG21 . ILE Axp A 64 ? 56.89  24.328  44.638 1   92.12   ? 131 A 1 c
ATOM 1048 H HG22 . ILE Axp A 64 ? 57.351 25.838  44.499 1   92.021  ? 131 A 1 c
ATOM 1049 H HG23 . ILE Axp A 64 ? 57.962 24.731  43.544 1   92.125  ? 131 A 1 c
ATOM 1050 H HD11 . ILE Axp A 64 ? 53.651 24.751  41.972 1   92.905  ? 131 A 1 c
ATOM 1051 H HD12 . ILE Axp A 64 ? 52.702 24.831  43.247 1   93.012  ? 131 A 1 c
ATOM 1052 H HD13 . ILE Axp A 64 ? 53.696 23.599  43.07  1   93.028  ? 131 A 1 c
ATOM 1053 N N    . ASP Axp A 65 ? 58.267 27.803  41.622 1   113.409 ? 132 A 1 .
ATOM 1054 C CA   . ASP Axp A 65 ? 59.607 28.151  41.16  1   115.041 ? 132 A 1 .
ATOM 1055 C C    . ASP Axp A 65 ? 60     27.461  39.852 1   103.288 ? 132 A 1 .
ATOM 1056 O O    . ASP Axp A 65 ? 59.97  28.067  38.783 1   88.935  ? 132 A 1 .
ATOM 1057 C CB   . ASP Axp A 65 ? 60.651 28.075  42.268 1   125.758 ? 132 A 1 .
ATOM 1058 C CG   . ASP Axp A 65 ? 60.558 26.94   43.28  1   129.849 ? 132 A 1 .
ATOM 1059 O OD1  . ASP Axp A 65 ? 60.689 25.774  42.857 1   136.785 ? 132 A 1 .
ATOM 1060 O OD2  . ASP Axp A 65 ? 60.412 27.237  44.492 1   127.655 ? 132 A 1 .
ATOM 1061 H H    . ASP Axp A 65 ? 57.754 28.492  41.935 1   106.445 ? 132 A 1 c
ATOM 1062 H HA   . ASP Axp A 65 ? 59.586 29.114  40.959 1   114.294 ? 132 A 1 c
ATOM 1063 H HB3  . ASP Axp A 65 ? 60.626 28.921  42.763 1   124.039 ? 132 A 1 c
ATOM 1064 H HB2  . ASP Axp A 65 ? 61.527 28.005  41.838 1   123.983 ? 132 A 1 c
ATOM 1065 N N    . GLU Axp A 66 ? 60.476 26.224  39.949 1   113.697 ? 133 A 1 .
ATOM 1066 C CA   . GLU Axp A 66 ? 61.054 25.558  38.793 1   122.033 ? 133 A 1 .
ATOM 1067 C C    . GLU Axp A 66 ? 59.963 24.882  37.957 1   107.902 ? 133 A 1 .
ATOM 1068 O O    . GLU Axp A 66 ? 60.065 24.806  36.734 1   98.04   ? 133 A 1 .
ATOM 1069 C CB   . GLU Axp A 66 ? 62.164 24.606  39.259 1   133.833 ? 133 A 1 .
ATOM 1070 C CG   . GLU Axp A 66 ? 63.474 25.328  39.572 1   148.077 ? 133 A 1 .
ATOM 1071 C CD   . GLU Axp A 66 ? 63.918 26.363  38.537 1   157.837 ? 133 A 1 .
ATOM 1072 O OE1  . GLU Axp A 66 ? 63.434 26.345  37.385 1   148.024 ? 133 A 1 .
ATOM 1073 O OE2  . GLU Axp A 66 ? 64.737 27.23   38.895 1   177.171 ? 133 A 1 .
ATOM 1074 H H    . GLU Axp A 66 ? 60.432 25.778  40.745 1   113.24  ? 133 A 1 c
ATOM 1075 H HA   . GLU Axp A 66 ? 61.467 26.251  38.226 1   119.865 ? 133 A 1 c
ATOM 1076 H HB3  . GLU Axp A 66 ? 62.326 23.941  38.56  1   133.928 ? 133 A 1 c
ATOM 1077 H HB2  . GLU Axp A 66 ? 61.859 24.13   40.06  1   133.918 ? 133 A 1 c
ATOM 1078 H HG3  . GLU Axp A 66 ? 64.187 24.661  39.663 1   146.835 ? 133 A 1 c
ATOM 1079 H HG2  . GLU Axp A 66 ? 63.386 25.779  40.438 1   146.835 ? 133 A 1 c
ATOM 1080 N N    . ASN Axp A 67 ? 58.895 24.445  38.63  1   99.442  ? 134 A 1 .
ATOM 1081 C CA   . ASN Axp A 67 ? 58.008 23.42   38.122 1   90.199  ? 134 A 1 .
ATOM 1082 C C    . ASN Axp A 67 ? 56.608 23.993  38.028 1   87.116  ? 134 A 1 .
ATOM 1083 O O    . ASN Axp A 67 ? 56.29  24.971  38.703 1   85.356  ? 134 A 1 .
ATOM 1084 C CB   . ASN Axp A 67 ? 58.027 22.195  39.026 1   84.793  ? 134 A 1 .
ATOM 1085 C CG   . ASN Axp A 67 ? 59.45  21.772  39.278 1   98.704  ? 134 A 1 .
ATOM 1086 O OD1  . ASN Axp A 67 ? 60.142 21.28   38.382 1   107.564 ? 134 A 1 .
ATOM 1087 N ND2  . ASN Axp A 67 ? 59.939 22.027  40.476 1   118.7   ? 134 A 1 .
ATOM 1088 H H    . ASN Axp A 67 ? 58.708 24.809  39.447 1   99.508  ? 134 A 1 c
ATOM 1089 H HA   . ASN Axp A 67 ? 58.311 23.147  37.228 1   90.399  ? 134 A 1 c
ATOM 1090 H HB3  . ASN Axp A 67 ? 57.539 21.465  38.598 1   89.077  ? 134 A 1 c
ATOM 1091 H HB2  . ASN Axp A 67 ? 57.59  22.406  39.875 1   89.189  ? 134 A 1 c
ATOM 1092 H HD21 . ASN Axp A 67 ? 60.448 21.426  40.883 1   112.14  ? 134 A 1 c
ATOM 1093 H HD22 . ASN Axp A 67 ? 59.757 22.799  40.872 1   112.14  ? 134 A 1 c
ATOM 1094 N N    . PHE Axp A 68 ? 55.796 23.374  37.17  1   81.409  ? 135 A 1 .
ATOM 1095 C CA   . PHE Axp A 68 ? 54.372 23.626  37.201 1   82.488  ? 135 A 1 .
ATOM 1096 C C    . PHE Axp A 68 ? 53.819 23.036  38.49  1   78.318  ? 135 A 1 .
ATOM 1097 O O    . PHE Axp A 68 ? 54.317 22.047  39.025 1   79.805  ? 135 A 1 .
ATOM 1098 C CB   . PHE Axp A 68 ? 53.6   23.063  36.005 1   92.439  ? 135 A 1 .
ATOM 1099 C CG   . PHE Axp A 68 ? 53.862 23.766  34.686 1   91.733  ? 135 A 1 .
ATOM 1100 C CD1  . PHE Axp A 68 ? 53.868 25.147  34.62  1   88.392  ? 135 A 1 .
ATOM 1101 C CD2  . PHE Axp A 68 ? 54.136 23.041  33.535 1   101.779 ? 135 A 1 .
ATOM 1102 C CE1  . PHE Axp A 68 ? 54.142 25.793  33.435 1   97.867  ? 135 A 1 .
ATOM 1103 C CE2  . PHE Axp A 68 ? 54.415 23.694  32.355 1   109.449 ? 135 A 1 .
ATOM 1104 C CZ   . PHE Axp A 68 ? 54.41  25.069  32.306 1   106.428 ? 135 A 1 .
ATOM 1105 H H    . PHE Axp A 68 ? 56.134 22.787  36.556 1   83.085  ? 135 A 1 c
ATOM 1106 H HA   . PHE Axp A 68 ? 54.234 24.609  37.226 1   83.281  ? 135 A 1 c
ATOM 1107 H HB3  . PHE Axp A 68 ? 52.638 23.113  36.204 1   89.903  ? 135 A 1 c
ATOM 1108 H HB2  . PHE Axp A 68 ? 53.834 22.114  35.906 1   90.172  ? 135 A 1 c
ATOM 1109 H HD1  . PHE Axp A 68 ? 53.691 25.653  35.396 1   91.462  ? 135 A 1 c
ATOM 1110 H HD2  . PHE Axp A 68 ? 54.151 22.098  33.566 1   100.894 ? 135 A 1 c
ATOM 1111 H HE1  . PHE Axp A 68 ? 54.135 26.736  33.4   1   97.533  ? 135 A 1 c
ATOM 1112 H HE2  . PHE Axp A 68 ? 54.593 23.196  31.573 1   106.591 ? 135 A 1 c
ATOM 1113 H HZ   . PHE Axp A 68 ? 54.585 25.513  31.491 1   104.789 ? 135 A 1 c
ATOM 1114 N N    . GLY Axp A 69 ? 52.773 23.682  38.986 1   79.854  ? 136 A 1 .
ATOM 1115 C CA   . GLY Axp A 69 ? 51.983 23.109  40.054 1   84.541  ? 136 A 1 .
ATOM 1116 C C    . GLY Axp A 69 ? 50.508 23.258  39.731 1   77.138  ? 136 A 1 .
ATOM 1117 O O    . GLY Axp A 69 ? 50.136 23.514  38.593 1   73.426  ? 136 A 1 .
ATOM 1118 H H    . GLY Axp A 69 ? 52.542 24.502  38.654 1   80.533  ? 136 A 1 c
ATOM 1119 H HA3  . GLY Axp A 69 ? 52.188 23.568  40.897 1   81.874  ? 136 A 1 c
ATOM 1120 H HA2  . GLY Axp A 69 ? 52.206 22.155  40.158 1   81.812  ? 136 A 1 c
ATOM 1121 N N    . VAL Axp A 70 ? 49.682 23.118  40.76  1   73.112  ? 137 A 1 .
ATOM 1122 C CA   . VAL Axp A 70 ? 48.259 23.28   40.584 1   75.299  ? 137 A 1 .
ATOM 1123 C C    . VAL Axp A 70 ? 47.628 23.55   41.952 1   79.048  ? 137 A 1 .
ATOM 1124 O O    . VAL Axp A 70 ? 48     22.957  42.96  1   80.882  ? 137 A 1 .
ATOM 1125 C CB   . VAL Axp A 70 ? 47.735 22.026  39.853 1   76.891  ? 137 A 1 .
ATOM 1126 C CG1  . VAL Axp A 70 ? 47.664 20.792  40.739 1   82.031  ? 137 A 1 .
ATOM 1127 C CG2  . VAL Axp A 70 ? 46.394 22.289  39.204 1   83.087  ? 137 A 1 .
ATOM 1128 H H    . VAL Axp A 70 ? 50.012 22.914  41.588 1   74.694  ? 137 A 1 c
ATOM 1129 H HA   . VAL Axp A 70 ? 48.108 24.056  40.014 1   75.926  ? 137 A 1 c
ATOM 1130 H HB   . VAL Axp A 70 ? 48.37  21.825  39.128 1   78.605  ? 137 A 1 c
ATOM 1131 H HG11 . VAL Axp A 70 ? 46.926 20.881  41.365 1   80.496  ? 137 A 1 c
ATOM 1132 H HG12 . VAL Axp A 70 ? 48.496 20.701  41.231 1   80.575  ? 137 A 1 c
ATOM 1133 H HG13 . VAL Axp A 70 ? 47.527 20.003  40.188 1   80.501  ? 137 A 1 c
ATOM 1134 H HG21 . VAL Axp A 70 ? 46.08  21.479  38.767 1   81.199  ? 137 A 1 c
ATOM 1135 H HG22 . VAL Axp A 70 ? 46.485 22.997  38.544 1   81.199  ? 137 A 1 c
ATOM 1136 H HG23 . VAL Axp A 70 ? 45.752 22.56   39.881 1   81.199  ? 137 A 1 c
ATOM 1137 N N    . ARG Axp A 71 ? 46.743 24.543  42.003 1   79.764  ? 138 A 1 .
ATOM 1138 C CA   . ARG Axp A 71 ? 46.027 24.836  43.227 1   89.848  ? 138 A 1 .
ATOM 1139 C C    . ARG Axp A 71 ? 44.656 24.223  43.016 1   84.25   ? 138 A 1 .
ATOM 1140 O O    . ARG Axp A 71 ? 44.028 24.517  42.007 1   82.969  ? 138 A 1 .
ATOM 1141 C CB   . ARG Axp A 71 ? 45.997 26.346  43.51  1   107.001 ? 138 A 1 .
ATOM 1142 C CG   . ARG Axp A 71 ? 45.561 26.795  44.904 1   117.732 ? 138 A 1 .
ATOM 1143 C CD   . ARG Axp A 71 ? 45.333 28.294  45.002 1   112.068 ? 138 A 1 .
ATOM 1144 N NE   . ARG Axp A 71 ? 44.333 28.633  43.983 1   124.176 ? 138 A 1 .
ATOM 1145 C CZ   . ARG Axp A 71 ? 44.616 29.166  42.795 1   149.21  ? 138 A 1 .
ATOM 1146 N NH1  . ARG Axp A 71 ? 45.824 29.663  42.59  1   158.054 ? 138 A 1 .
ATOM 1147 N NH2  . ARG Axp A 71 ? 43.702 29.202  41.83  1   141.373 ? 138 A 1 .
ATOM 1148 H H    . ARG Axp A 71 ? 46.58  25.05   41.26  1   81.666  ? 138 A 1 c
ATOM 1149 H HA   . ARG Axp A 71 ? 46.477 24.378  43.978 1   89.371  ? 138 A 1 c
ATOM 1150 H HB3  . ARG Axp A 71 ? 45.398 26.755  42.852 1   105.261 ? 138 A 1 c
ATOM 1151 H HB2  . ARG Axp A 71 ? 46.896 26.701  43.342 1   105.123 ? 138 A 1 c
ATOM 1152 H HG3  . ARG Axp A 71 ? 46.245 26.536  45.556 1   113.872 ? 138 A 1 c
ATOM 1153 H HG2  . ARG Axp A 71 ? 44.729 26.332  45.145 1   113.911 ? 138 A 1 c
ATOM 1154 H HD3  . ARG Axp A 71 ? 46.164 28.783  44.834 1   116.461 ? 138 A 1 c
ATOM 1155 H HD2  . ARG Axp A 71 ? 44.997 28.535  45.889 1   116.155 ? 138 A 1 c
ATOM 1156 H HE   . ARG Axp A 71 ? 43.496 28.477  44.166 1   126.777 ? 138 A 1 c
ATOM 1157 H HH11 . ARG Axp A 71 ? 46.505 29.117  42.449 1   155.278 ? 138 A 1 c
ATOM 1158 H HH12 . ARG Axp A 71 ? 45.945 30.538  42.594 1   155.278 ? 138 A 1 c
ATOM 1159 H HH21 . ARG Axp A 71 ? 43.074 28.581  41.797 1   143.74  ? 138 A 1 c
ATOM 1160 H HH22 . ARG Axp A 71 ? 43.727 29.847  41.226 1   143.74  ? 138 A 1 c
ATOM 1161 N N    . ILE Axp A 72 ? 44.24  23.342  43.931 1   86.161  ? 139 A 1 .
ATOM 1162 C CA   . ILE Axp A 72 ? 42.971 22.643  43.779 1   95.495  ? 139 A 1 .
ATOM 1163 C C    . ILE Axp A 72 ? 41.845 23.641  44.04  1   94.024  ? 139 A 1 .
ATOM 1164 O O    . ILE Axp A 72 ? 41.846 24.311  45.065 1   107.845 ? 139 A 1 .
ATOM 1165 C CB   . ILE Axp A 72 ? 42.822 21.435  44.73  1   95.84   ? 139 A 1 .
ATOM 1166 C CG1  . ILE Axp A 72 ? 44.104 20.633  44.972 1   95.855  ? 139 A 1 .
ATOM 1167 C CG2  . ILE Axp A 72 ? 41.695 20.533  44.238 1   90.029  ? 139 A 1 .
ATOM 1168 C CD1  . ILE Axp A 72 ? 44.531 19.769  43.807 1   100.474 ? 139 A 1 .
ATOM 1169 H H    . ILE Axp A 72 ? 44.744 23.195  44.679 1   87.867  ? 139 A 1 c
ATOM 1170 H HA   . ILE Axp A 72 ? 42.902 22.323  42.858 1   93.21   ? 139 A 1 c
ATOM 1171 H HB   . ILE Axp A 72 ? 42.545 21.79   45.598 1   94.716  ? 139 A 1 c
ATOM 1172 H HG12 . ILE Axp A 72 ? 43.966 20.057  45.751 1   96.806  ? 139 A 1 c
ATOM 1173 H HG13 . ILE Axp A 72 ? 44.83  21.249  45.187 1   96.651  ? 139 A 1 c
ATOM 1174 H HG21 . ILE Axp A 72 ? 41.733 19.681  44.705 1   91.745  ? 139 A 1 c
ATOM 1175 H HG22 . ILE Axp A 72 ? 41.791 20.38   43.283 1   91.78   ? 139 A 1 c
ATOM 1176 H HG23 . ILE Axp A 72 ? 40.838 20.957  44.411 1   91.735  ? 139 A 1 c
ATOM 1177 H HD11 . ILE Axp A 72 ? 44.123 18.886  43.889 1   99.247  ? 139 A 1 c
ATOM 1178 H HD12 . ILE Axp A 72 ? 45.502 19.678  43.804 1   99.219  ? 139 A 1 c
ATOM 1179 H HD13 . ILE Axp A 72 ? 44.243 20.182  42.971 1   99.033  ? 139 A 1 c
ATOM 1180 N N    . THR Axp A 73 ? 40.869 23.732  43.137 1   88.332  ? 140 A 1 .
ATOM 1181 C CA   . THR Axp A 73 ? 39.778 24.665  43.347 1   94.217  ? 140 A 1 .
ATOM 1182 C C    . THR Axp A 73 ? 38.458 23.921  43.519 1   109.27  ? 140 A 1 .
ATOM 1183 O O    . THR Axp A 73 ? 37.517 24.477  44.073 1   155.792 ? 140 A 1 .
ATOM 1184 C CB   . THR Axp A 73 ? 39.715 25.699  42.22  1   106.621 ? 140 A 1 .
ATOM 1185 O OG1  . THR Axp A 73 ? 39.274 25.112  40.997 1   86.245  ? 140 A 1 .
ATOM 1186 C CG2  . THR Axp A 73 ? 41.051 26.401  42.029 1   121.028 ? 140 A 1 .
ATOM 1187 H H    . THR Axp A 73 ? 40.895 23.23   42.373 1   91.176  ? 140 A 1 c
ATOM 1188 H HA   . THR Axp A 73 ? 39.955 25.151  44.181 1   97.889  ? 140 A 1 c
ATOM 1189 H HB   . THR Axp A 73 ? 39.062 26.391  42.483 1   102.42  ? 140 A 1 c
ATOM 1190 H HG1  . THR Axp A 73 ? 39.833 24.601  40.72  0   107.43  ? 140 A 1 c
ATOM 1191 H HG21 . THR Axp A 73 ? 40.918 27.216  41.517 1   116.38  ? 140 A 1 c
ATOM 1192 H HG22 . THR Axp A 73 ? 41.66  25.815  41.55  1   115.85  ? 140 A 1 c
ATOM 1193 H HG23 . THR Axp A 73 ? 41.429 26.621  42.896 1   116.272 ? 140 A 1 c
ATOM 1194 N N    . GLU Axp A 74 ? 38.371 22.684  43.027 1   107.399 ? 141 A 1 .
ATOM 1195 C CA   . GLU Axp A 74 ? 37.188 21.864  43.208 1   101.746 ? 141 A 1 .
ATOM 1196 C C    . GLU Axp A 74 ? 37.661 20.442  43.433 1   103.912 ? 141 A 1 .
ATOM 1197 O O    . GLU Axp A 74 ? 38.419 19.935  42.622 1   109.09  ? 141 A 1 .
ATOM 1198 C CB   . GLU Axp A 74 ? 36.326 21.798  41.953 1   106.514 ? 141 A 1 .
ATOM 1199 C CG   . GLU Axp A 74 ? 35.796 23.149  41.486 1   127.512 ? 141 A 1 .
ATOM 1200 C CD   . GLU Axp A 74 ? 35.652 23.269  39.975 1   142.873 ? 141 A 1 .
ATOM 1201 O OE1  . GLU Axp A 74 ? 35.066 22.353  39.365 1   149.415 ? 141 A 1 .
ATOM 1202 O OE2  . GLU Axp A 74 ? 36.093 24.29   39.396 1   151.121 ? 141 A 1 .
ATOM 1203 H H    . GLU Axp A 74 ? 39.068 22.341  42.546 1   106.104 ? 141 A 1 c
ATOM 1204 H HA   . GLU Axp A 74 ? 36.673 22.182  43.99  1   104.812 ? 141 A 1 c
ATOM 1205 H HB3  . GLU Axp A 74 ? 35.565 21.205  42.124 1   109.829 ? 141 A 1 c
ATOM 1206 H HB2  . GLU Axp A 74 ? 36.853 21.403  41.227 1   109.962 ? 141 A 1 c
ATOM 1207 H HG3  . GLU Axp A 74 ? 36.397 23.856  41.796 1   125.581 ? 141 A 1 c
ATOM 1208 H HG2  . GLU Axp A 74 ? 34.919 23.306  41.896 1   125.612 ? 141 A 1 c
ATOM 1209 N N    . ILE Axp A 75 ? 37.225 19.809  44.519 1   112.197 ? 142 A 1 .
ATOM 1210 C CA   . ILE Axp A 75 ? 37.506 18.398  44.704 1   106.55  ? 142 A 1 .
ATOM 1211 C C    . ILE Axp A 75 ? 36.21  17.679  45.05  1   117.393 ? 142 A 1 .
ATOM 1212 O O    . ILE Axp A 75 ? 35.266 18.275  45.567 1   137.383 ? 142 A 1 .
ATOM 1213 C CB   . ILE Axp A 75 ? 38.583 18.175  45.777 1   110.063 ? 142 A 1 .
ATOM 1214 C CG1  . ILE Axp A 75 ? 39.297 16.838  45.565 1   111.991 ? 142 A 1 .
ATOM 1215 C CG2  . ILE Axp A 75 ? 38.002 18.308  47.189 1   123.216 ? 142 A 1 .
ATOM 1216 C CD1  . ILE Axp A 75 ? 40.692 16.769  46.167 1   110.528 ? 142 A 1 .
ATOM 1217 H H    . ILE Axp A 75 ? 36.738 20.255  45.15  1   109.727 ? 142 A 1 c
ATOM 1218 H HA   . ILE Axp A 75 ? 37.838 18.039  43.86  1   110.268 ? 142 A 1 c
ATOM 1219 H HB   . ILE Axp A 75 ? 39.252 18.881  45.668 1   112.093 ? 142 A 1 c
ATOM 1220 H HG12 . ILE Axp A 75 ? 39.365 16.667  44.605 1   111.037 ? 142 A 1 c
ATOM 1221 H HG13 . ILE Axp A 75 ? 38.752 16.125  45.955 1   111.292 ? 142 A 1 c
ATOM 1222 H HG21 . ILE Axp A 75 ? 38.718 18.498  47.818 1   119.169 ? 142 A 1 c
ATOM 1223 H HG22 . ILE Axp A 75 ? 37.563 17.479  47.443 1   119.122 ? 142 A 1 c
ATOM 1224 H HG23 . ILE Axp A 75 ? 37.356 19.034  47.21  1   119.106 ? 142 A 1 c
ATOM 1225 H HD11 . ILE Axp A 75 ? 41.294 17.349  45.664 1   110.978 ? 142 A 1 c
ATOM 1226 H HD12 . ILE Axp A 75 ? 41.02  15.851  46.129 1   111.046 ? 142 A 1 c
ATOM 1227 H HD13 . ILE Axp A 75 ? 40.661 17.064  47.097 1   110.978 ? 142 A 1 c
ATOM 1228 N N    . VAL Axp A 76 ? 36.186 16.385  44.738 1   115.269 ? 143 A 1 .
ATOM 1229 C CA   . VAL Axp A 76 ? 35.138 15.51   45.226 1   120.573 ? 143 A 1 .
ATOM 1230 C C    . VAL Axp A 76 ? 35.553 14.983  46.602 1   129.538 ? 143 A 1 .
ATOM 1231 O O    . VAL Axp A 76 ? 36.741 14.89   46.911 1   123.018 ? 143 A 1 .
ATOM 1232 C CB   . VAL Axp A 76 ? 34.862 14.403  44.192 1   111.576 ? 143 A 1 .
ATOM 1233 C CG1  . VAL Axp A 76 ? 34.634 15.019  42.815 1   107.91  ? 143 A 1 .
ATOM 1234 C CG2  . VAL Axp A 76 ? 35.955 13.333  44.157 1   102.119 ? 143 A 1 .
ATOM 1235 H H    . VAL Axp A 76 ? 36.844 16.036  44.209 1   116.556 ? 143 A 1 c
ATOM 1236 H HA   . VAL Axp A 76 ? 34.322 16.036  45.332 1   119.572 ? 143 A 1 c
ATOM 1237 H HB   . VAL Axp A 76 ? 34.024 13.963  44.459 1   111.024 ? 143 A 1 c
ATOM 1238 H HG11 . VAL Axp A 76 ? 35.491 15.194  42.391 1   109.024 ? 143 A 1 c
ATOM 1239 H HG12 . VAL Axp A 76 ? 34.143 15.853  42.909 1   109.05  ? 143 A 1 c
ATOM 1240 H HG13 . VAL Axp A 76 ? 34.121 14.403  42.265 1   109     ? 143 A 1 c
ATOM 1241 H HG21 . VAL Axp A 76 ? 35.951 12.893  43.291 1   104.907 ? 143 A 1 c
ATOM 1242 H HG22 . VAL Axp A 76 ? 35.788 12.675  44.854 1   104.972 ? 143 A 1 c
ATOM 1243 H HG23 . VAL Axp A 76 ? 36.821 13.747  44.305 1   105.071 ? 143 A 1 c
ATOM 1244 N N    . SER Axp A 77 ? 34.557 14.673  47.439 1   133.029 ? 144 A 1 .
ATOM 1245 C CA   . SER Axp A 77 ? 34.801 14.287  48.818 1   134.934 ? 144 A 1 .
ATOM 1246 C C    . SER Axp A 77 ? 35.482 12.917  48.874 1   132.139 ? 144 A 1 .
ATOM 1247 O O    . SER Axp A 77 ? 35.359 12.108  47.948 1   129.593 ? 144 A 1 .
ATOM 1248 C CB   . SER Axp A 77 ? 33.525 14.306  49.621 1   143.897 ? 144 A 1 .
ATOM 1249 O OG   . SER Axp A 77 ? 32.871 13.047  49.566 1   154.961 ? 144 A 1 .
ATOM 1250 H H    . SER Axp A 77 ? 33.695 14.698  47.135 1   132.584 ? 144 A 1 c
ATOM 1251 H HA   . SER Axp A 77 ? 35.421 14.953  49.211 1   135.412 ? 144 A 1 c
ATOM 1252 H HB3  . SER Axp A 77 ? 32.931 14.996  49.268 1   144.128 ? 144 A 1 c
ATOM 1253 H HB2  . SER Axp A 77 ? 33.726 14.528  50.548 1   144.016 ? 144 A 1 c
ATOM 1254 H HG   . SER Axp A 77 ? 32.14  13.086  49.991 0   119.4   ? 144 A 1 c
ATOM 1255 N N    . PRO Axp A 78 ? 36.206 12.614  49.981 1   122.774 ? 145 A 1 .
ATOM 1256 C CA   . PRO Axp A 78 ? 37.091 11.451  50.039 1   128.559 ? 145 A 1 .
ATOM 1257 C C    . PRO Axp A 78 ? 36.391 10.088  49.978 1   128.555 ? 145 A 1 .
ATOM 1258 O O    . PRO Axp A 78 ? 36.968 9.075   50.37  1   118.69  ? 145 A 1 .
ATOM 1259 C CB   . PRO Axp A 78 ? 37.9   11.688  51.322 1   120.234 ? 145 A 1 .
ATOM 1260 C CG   . PRO Axp A 78 ? 36.979 12.543  52.165 1   124.798 ? 145 A 1 .
ATOM 1261 C CD   . PRO Axp A 78 ? 36.255 13.429  51.205 1   122.267 ? 145 A 1 .
ATOM 1262 H HA   . PRO Axp A 78 ? 37.713 11.505  49.284 1   125.864 ? 145 A 1 c
ATOM 1263 H HB3  . PRO Axp A 78 ? 38.734 12.158  51.128 1   123.08  ? 145 A 1 c
ATOM 1264 H HB2  . PRO Axp A 78 ? 38.104 10.846  51.772 1   123.081 ? 145 A 1 c
ATOM 1265 H HG3  . PRO Axp A 78 ? 37.491 13.078  52.803 1   123.222 ? 145 A 1 c
ATOM 1266 H HG2  . PRO Axp A 78 ? 36.346 11.986  52.66  1   123.427 ? 145 A 1 c
ATOM 1267 H HD3  . PRO Axp A 78 ? 35.357 13.632  51.525 1   123.278 ? 145 A 1 c
ATOM 1268 H HD2  . PRO Axp A 78 ? 36.742 14.262  51.05  1   123.091 ? 145 A 1 c
ATOM 1269 N N    . LYS Axp A 79 ? 35.183 10.047  49.405 1   142.395 ? 146 A 1 .
ATOM 1270 C CA   . LYS Axp A 79 ? 34.458 8.799   49.239 1   147.882 ? 146 A 1 .
ATOM 1271 C C    . LYS Axp A 79 ? 34.684 8.33    47.81  1   145.444 ? 146 A 1 .
ATOM 1272 O O    . LYS Axp A 79 ? 35.337 7.308   47.593 1   122.562 ? 146 A 1 .
ATOM 1273 C CB   . LYS Axp A 79 ? 32.956 8.938   49.523 1   154.31  ? 146 A 1 .
ATOM 1274 C CG   . LYS Axp A 79 ? 32.57  10.062  50.476 1   166.666 ? 146 A 1 .
ATOM 1275 C CD   . LYS Axp A 79 ? 33.136 9.913   51.883 1   171.622 ? 146 A 1 .
ATOM 1276 C CE   . LYS Axp A 79 ? 33.262 11.21   52.614 1   166.824 ? 146 A 1 .
ATOM 1277 N NZ   . LYS Axp A 79 ? 33.925 11.001  53.903 1   168.947 ? 146 A 1 .
ATOM 1278 H H    . LYS Axp A 79 ? 34.805 10.815  49.088 1   140.354 ? 146 A 1 c
ATOM 1279 H HA   . LYS Axp A 79 ? 34.838 8.125   49.859 1   147.011 ? 146 A 1 c
ATOM 1280 H HB3  . LYS Axp A 79 ? 32.636 8.093   49.903 1   155.57  ? 146 A 1 c
ATOM 1281 H HB2  . LYS Axp A 79 ? 32.481 9.076   48.677 1   155.632 ? 146 A 1 c
ATOM 1282 H HG3  . LYS Axp A 79 ? 31.591 10.098  50.531 1   164.776 ? 146 A 1 c
ATOM 1283 H HG2  . LYS Axp A 79 ? 32.876 10.91   50.098 1   164.473 ? 146 A 1 c
ATOM 1284 H HD3  . LYS Axp A 79 ? 34.02  9.491   51.829 1   169.021 ? 146 A 1 c
ATOM 1285 H HD2  . LYS Axp A 79 ? 32.551 9.314   52.397 1   169.3   ? 146 A 1 c
ATOM 1286 H HE3  . LYS Axp A 79 ? 32.379 11.592  52.765 1   168.404 ? 146 A 1 c
ATOM 1287 H HE2  . LYS Axp A 79 ? 33.784 11.839  52.084 1   168.383 ? 146 A 1 c
ATOM 1288 H HZ1  . LYS Axp A 79 ? 34.745 10.638  53.772 1   167.959 ? 146 A 1 c
ATOM 1289 H HZ2  . LYS Axp A 79 ? 33.43  10.44   54.414 1   168.213 ? 146 A 1 c
ATOM 1290 H HZ3  . LYS Axp A 79 ? 34.016 11.793  54.332 1   168.213 ? 146 A 1 c
ATOM 1291 N N    . GLU Axp A 80 ? 34.177 9.133   46.86  1   162.767 ? 147 A 1 .
ATOM 1292 C CA   . GLU Axp A 80 ? 34.23  8.804   45.444 1   171.53  ? 147 A 1 .
ATOM 1293 C C    . GLU Axp A 80 ? 35.69  8.856   45.025 1   152.652 ? 147 A 1 .
ATOM 1294 O O    . GLU Axp A 80 ? 36.046 8.388   43.949 1   171.508 ? 147 A 1 .
ATOM 1295 C CB   . GLU Axp A 80 ? 33.403 9.677   44.492 1   168.063 ? 147 A 1 .
ATOM 1296 C CG   . GLU Axp A 80 ? 32.098 10.19   45.091 1   156.243 ? 147 A 1 .
ATOM 1297 C CD   . GLU Axp A 80 ? 32.388 11.356  46.013 1   168.583 ? 147 A 1 .
ATOM 1298 O OE1  . GLU Axp A 80 ? 32.536 12.468  45.473 1   181.558 ? 147 A 1 .
ATOM 1299 O OE2  . GLU Axp A 80 ? 32.55  11.149  47.241 1   165.277 ? 147 A 1 .
ATOM 1300 H H    . GLU Axp A 80 ? 33.814 9.932   47.11  1   159.956 ? 147 A 1 c
ATOM 1301 H HA   . GLU Axp A 80 ? 33.914 7.881   45.344 1   165.236 ? 147 A 1 c
ATOM 1302 H HB3  . GLU Axp A 80 ? 33.189 9.154   43.692 1   165.783 ? 147 A 1 c
ATOM 1303 H HB2  . GLU Axp A 80 ? 33.946 10.443  44.211 1   165.937 ? 147 A 1 c
ATOM 1304 H HG3  . GLU Axp A 80 ? 31.662 9.474   45.601 1   161.621 ? 147 A 1 c
ATOM 1305 H HG2  . GLU Axp A 80 ? 31.496 10.484  44.375 1   161.621 ? 147 A 1 c
ATOM 1306 N N    . ARG Axp A 81 ? 36.528 9.439   45.886 1   121.56  ? 148 A 1 .
ATOM 1307 C CA   . ARG Axp A 81 ? 37.955 9.269   45.715 1   134.848 ? 148 A 1 .
ATOM 1308 C C    . ARG Axp A 81 ? 38.269 7.776   45.713 1   153.187 ? 148 A 1 .
ATOM 1309 O O    . ARG Axp A 81 ? 38.812 7.261   44.729 1   153.353 ? 148 A 1 .
ATOM 1310 C CB   . ARG Axp A 81 ? 38.698 10.086  46.769 1   127.42  ? 148 A 1 .
ATOM 1311 C CG   . ARG Axp A 81 ? 38.558 11.57   46.468 1   123.59  ? 148 A 1 .
ATOM 1312 C CD   . ARG Axp A 81 ? 39.702 12.341  47.088 1   117.289 ? 148 A 1 .
ATOM 1313 N NE   . ARG Axp A 81 ? 39.187 13.583  47.673 1   111.406 ? 148 A 1 .
ATOM 1314 C CZ   . ARG Axp A 81 ? 39.793 14.285  48.616 1   116.383 ? 148 A 1 .
ATOM 1315 N NH1  . ARG Axp A 81 ? 41.002 13.949  49.059 1   115.112 ? 148 A 1 .
ATOM 1316 N NH2  . ARG Axp A 81 ? 39.164 15.341  49.1   1   127.179 ? 148 A 1 .
ATOM 1317 H H    . ARG Axp A 81 ? 36.215 9.976   46.556 1   131.846 ? 148 A 1 c
ATOM 1318 H HA   . ARG Axp A 81 ? 38.199 9.631   44.825 1   134.116 ? 148 A 1 c
ATOM 1319 H HB3  . ARG Axp A 81 ? 39.648 9.839   46.767 1   128.025 ? 148 A 1 c
ATOM 1320 H HB2  . ARG Axp A 81 ? 38.33  9.895   47.658 1   128.148 ? 148 A 1 c
ATOM 1321 H HG3  . ARG Axp A 81 ? 37.707 11.898  46.831 1   122.884 ? 148 A 1 c
ATOM 1322 H HG2  . ARG Axp A 81 ? 38.56  11.714  45.497 1   123.087 ? 148 A 1 c
ATOM 1323 H HD3  . ARG Axp A 81 ? 40.37  12.554  46.405 1   117.267 ? 148 A 1 c
ATOM 1324 H HD2  . ARG Axp A 81 ? 40.131 11.805  47.786 1   117.348 ? 148 A 1 c
ATOM 1325 H HE   . ARG Axp A 81 ? 38.428 13.892  47.375 1   114.144 ? 148 A 1 c
ATOM 1326 H HH11 . ARG Axp A 81 ? 41.564 13.506  48.54  1   115.547 ? 148 A 1 c
ATOM 1327 H HH12 . ARG Axp A 81 ? 41.241 14.187  49.874 1   115.589 ? 148 A 1 c
ATOM 1328 H HH21 . ARG Axp A 81 ? 38.316 15.275  49.341 1   123.754 ? 148 A 1 c
ATOM 1329 H HH22 . ARG Axp A 81 ? 39.594 16.109  49.18  1   123.754 ? 148 A 1 c
ATOM 1330 N N    . LEU Axp A 82 ? 37.876 7.098   46.803 1   147.405 ? 149 A 1 .
ATOM 1331 C CA   . LEU Axp A 82 ? 38.056 5.658   46.947 1   133.046 ? 149 A 1 .
ATOM 1332 C C    . LEU Axp A 82 ? 37.225 4.904   45.91  1   135.231 ? 149 A 1 .
ATOM 1333 O O    . LEU Axp A 82 ? 37.738 4.014   45.215 1   125.148 ? 149 A 1 .
ATOM 1334 C CB   . LEU Axp A 82 ? 37.689 5.285   48.38  1   115.818 ? 149 A 1 .
ATOM 1335 C CG   . LEU Axp A 82 ? 38.75  5.673   49.415 1   125.096 ? 149 A 1 .
ATOM 1336 C CD1  . LEU Axp A 82 ? 38.291 5.655   50.877 1   121.188 ? 149 A 1 .
ATOM 1337 C CD2  . LEU Axp A 82 ? 39.95  4.75    49.206 1   126.465 ? 149 A 1 .
ATOM 1338 H H    . LEU Axp A 82 ? 37.485 7.559   47.489 1   144.594 ? 149 A 1 c
ATOM 1339 H HA   . LEU Axp A 82 ? 39.01  5.451   46.79  1   132.888 ? 149 A 1 c
ATOM 1340 H HB3  . LEU Axp A 82 ? 37.547 4.311   48.422 1   121.83  ? 149 A 1 c
ATOM 1341 H HB2  . LEU Axp A 82 ? 36.843 5.729   48.615 1   121.965 ? 149 A 1 c
ATOM 1342 H HG   . LEU Axp A 82 ? 39.047 6.597   49.21  1   122.793 ? 149 A 1 c
ATOM 1343 H HD11 . LEU Axp A 82 ? 37.523 6.24    50.984 1   122.32  ? 149 A 1 c
ATOM 1344 H HD12 . LEU Axp A 82 ? 39.014 5.963   51.449 1   122.32  ? 149 A 1 c
ATOM 1345 H HD13 . LEU Axp A 82 ? 38.044 4.749   51.129 1   122.32  ? 149 A 1 c
ATOM 1346 H HD21 . LEU Axp A 82 ? 40.476 5.067   48.453 1   126.082 ? 149 A 1 c
ATOM 1347 H HD22 . LEU Axp A 82 ? 39.641 3.846   49.027 1   125.968 ? 149 A 1 c
ATOM 1348 H HD23 . LEU Axp A 82 ? 40.501 4.749   50.006 1   126.02  ? 149 A 1 c
ATOM 1349 N N    . GLU Axp A 83 ? 35.959 5.325   45.779 1   139.204 ? 150 A 1 .
ATOM 1350 C CA   . GLU Axp A 83 ? 35.021 4.728   44.841 1   145.277 ? 150 A 1 .
ATOM 1351 C C    . GLU Axp A 83 ? 35.507 4.824   43.395 1   146.939 ? 150 A 1 .
ATOM 1352 O O    . GLU Axp A 83 ? 34.996 4.105   42.538 1   184.682 ? 150 A 1 .
ATOM 1353 C CB   . GLU Axp A 83 ? 33.641 5.384   44.837 1   151.073 ? 150 A 1 .
ATOM 1354 C CG   . GLU Axp A 83 ? 32.702 4.931   45.951 1   161.115 ? 150 A 1 .
ATOM 1355 C CD   . GLU Axp A 83 ? 31.369 5.655   45.856 1   174.431 ? 150 A 1 .
ATOM 1356 O OE1  . GLU Axp A 83 ? 30.786 5.618   44.75  1   177.727 ? 150 A 1 .
ATOM 1357 O OE2  . GLU Axp A 83 ? 30.92  6.267   46.852 1   177.541 ? 150 A 1 .
ATOM 1358 H H    . GLU Axp A 83 ? 35.666 6.013   46.305 1   139.781 ? 150 A 1 c
ATOM 1359 H HA   . GLU Axp A 83 ? 34.916 3.771   45.075 1   145.404 ? 150 A 1 c
ATOM 1360 H HB3  . GLU Axp A 83 ? 33.204 5.191   43.982 1   152.26  ? 150 A 1 c
ATOM 1361 H HB2  . GLU Axp A 83 ? 33.756 6.348   44.895 1   152.138 ? 150 A 1 c
ATOM 1362 H HG3  . GLU Axp A 83 ? 33.11  5.121   46.823 1   161.694 ? 150 A 1 c
ATOM 1363 H HG2  . GLU Axp A 83 ? 32.55  3.965   45.881 1   161.694 ? 150 A 1 c
ATOM 1364 N N    . LEU Axp A 84 ? 36.456 5.723   43.104 1   141.247 ? 151 A 1 .
ATOM 1365 C CA   . LEU Axp A 84 ? 36.989 5.83    41.755 1   149.426 ? 151 A 1 .
ATOM 1366 C C    . LEU Axp A 84 ? 38.302 5.053   41.656 1   144.426 ? 151 A 1 .
ATOM 1367 O O    . LEU Axp A 84 ? 39.15  5.352   40.825 1   169.924 ? 151 A 1 .
ATOM 1368 C CB   . LEU Axp A 84 ? 37.107 7.295   41.324 1   150.024 ? 151 A 1 .
ATOM 1369 C CG   . LEU Axp A 84 ? 35.874 7.903   40.633 1   136.751 ? 151 A 1 .
ATOM 1370 C CD1  . LEU Axp A 84 ? 34.535 7.684   41.332 1   135.36  ? 151 A 1 .
ATOM 1371 C CD2  . LEU Axp A 84 ? 36.086 9.389   40.438 1   124.014 ? 151 A 1 .
ATOM 1372 H H    . LEU Axp A 84 ? 36.761 6.294   43.748 1   144.371 ? 151 A 1 c
ATOM 1373 H HA   . LEU Axp A 84 ? 36.346 5.387   41.146 1   147.127 ? 151 A 1 c
ATOM 1374 H HB3  . LEU Axp A 84 ? 37.872 7.375   40.709 1   146.892 ? 151 A 1 c
ATOM 1375 H HB2  . LEU Axp A 84 ? 37.32  7.836   42.117 1   146.778 ? 151 A 1 c
ATOM 1376 H HG   . LEU Axp A 84 ? 35.804 7.495   39.731 1   136.3   ? 151 A 1 c
ATOM 1377 H HD11 . LEU Axp A 84 ? 34.457 6.757   41.609 1   136.069 ? 151 A 1 c
ATOM 1378 H HD12 . LEU Axp A 84 ? 33.812 7.899   40.719 1   135.903 ? 151 A 1 c
ATOM 1379 H HD13 . LEU Axp A 84 ? 34.477 8.261   42.11  1   136.167 ? 151 A 1 c
ATOM 1380 H HD21 . LEU Axp A 84 ? 36.879 9.536   39.896 1   127.671 ? 151 A 1 c
ATOM 1381 H HD22 . LEU Axp A 84 ? 36.203 9.816   41.304 1   127.671 ? 151 A 1 c
ATOM 1382 H HD23 . LEU Axp A 84 ? 35.313 9.772   39.991 1   127.704 ? 151 A 1 c
ATOM 1383 N N    . LEU Axp A 85 ? 38.44  4.015   42.485 1   145.708 ? 152 A 1 .
ATOM 1384 C CA   . LEU Axp A 85 ? 39.475 3.01    42.313 1   150.564 ? 152 A 1 .
ATOM 1385 C C    . LEU Axp A 85 ? 38.944 1.655   42.834 1   162.919 ? 152 A 1 .
ATOM 1386 O O    . LEU Axp A 85 ? 37.954 1.148   42.249 1   147.139 ? 152 A 1 .
ATOM 1387 C CB   . LEU Axp A 85 ? 40.762 3.468   43.006 1   152.616 ? 152 A 1 .
ATOM 1388 C CG   . LEU Axp A 85 ? 40.631 4.591   44.047 1   169.424 ? 152 A 1 .
ATOM 1389 C CD1  . LEU Axp A 85 ? 41.305 4.202   45.358 1   174.383 ? 152 A 1 .
ATOM 1390 C CD2  . LEU Axp A 85 ? 41.191 5.934   43.546 1   150.005 ? 152 A 1 .
ATOM 1391 O OXT  . LEU Axp A 85 ? 39.526 1.146   43.805 1   184.778 ? 152 A 1 .
ATOM 1392 H H    . LEU Axp A 85 ? 37.867 3.928   43.19  1   146.697 ? 152 A 1 c
ATOM 1393 H HA   . LEU Axp A 85 ? 39.652 2.914   41.343 1   152.184 ? 152 A 1 c
ATOM 1394 H HB3  . LEU Axp A 85 ? 41.39  3.765   42.308 1   155.835 ? 152 A 1 c
ATOM 1395 H HB2  . LEU Axp A 85 ? 41.176 2.687   43.441 1   156.218 ? 152 A 1 c
ATOM 1396 H HG   . LEU Axp A 85 ? 39.671 4.726   44.238 1   162.675 ? 152 A 1 c
ATOM 1397 H HD11 . LEU Axp A 85 ? 40.897 3.391   45.705 1   172.686 ? 152 A 1 c
ATOM 1398 H HD12 . LEU Axp A 85 ? 41.198 4.92    46.004 1   172.444 ? 152 A 1 c
ATOM 1399 H HD13 . LEU Axp A 85 ? 42.252 4.047   45.202 1   172.776 ? 152 A 1 c
ATOM 1400 H HD21 . LEU Axp A 85 ? 40.576 6.325   42.903 1   155.491 ? 152 A 1 c
ATOM 1401 H HD22 . LEU Axp A 85 ? 42.053 5.789   43.12  1   155.486 ? 152 A 1 c
ATOM 1402 H HD23 . LEU Axp A 85 ? 41.302 6.542   44.296 1   155.639 ? 152 A 1 c
ATOM 1403 N N    . SER Bxp B 1  ? 40.29  -3.982  -0.291 1   191.36  ? 68  B 1 .
ATOM 1404 C CA   . SER Bxp B 1  ? 39.483 -2.906  -0.926 1   182.736 ? 68  B 1 .
ATOM 1405 C C    . SER Bxp B 1  ? 39.463 -1.682  -0.007 1   180.098 ? 68  B 1 .
ATOM 1406 O O    . SER Bxp B 1  ? 40.512 -1.281  0.51   1   148.989 ? 68  B 1 .
ATOM 1407 C CB   . SER Bxp B 1  ? 38.1   -3.429  -1.291 1   174.263 ? 68  B 1 .
ATOM 1408 O OG   . SER Bxp B 1  ? 37.476 -4.099  -0.201 1   151.606 ? 68  B 1 .
ATOM 1409 H H    . SER Bxp B 1  ? 40.313 -4.705  -0.83  1   188.556 ? 68  B 1 c
ATOM 1410 H H2   . SER Bxp B 1  ? 39.923 -4.214  0.499  1   188.584 ? 68  B 1 c
ATOM 1411 H H3   . SER Bxp B 1  ? 41.133 -3.691  -0.153 1   188.584 ? 68  B 1 c
ATOM 1412 H HA   . SER Bxp B 1  ? 39.94  -2.645  -1.766 1   182.256 ? 68  B 1 c
ATOM 1413 H HB3  . SER Bxp B 1  ? 38.185 -4.05   -2.039 1   170.412 ? 68  B 1 c
ATOM 1414 H HB2  . SER Bxp B 1  ? 37.538 -2.69   -1.586 1   170.559 ? 68  B 1 c
ATOM 1415 H HG   . SER Bxp B 1  ? 36.922 -4.562  0.072  0   151.73  ? 68  B 1 c
ATOM 1416 N N    . ASP Bxp B 2  ? 38.272 -1.096  0.201  1   186.135 ? 69  B 1 .
ATOM 1417 C CA   . ASP Bxp B 2  ? 38.104 0.07    1.058  1   181.115 ? 69  B 1 .
ATOM 1418 C C    . ASP Bxp B 2  ? 36.854 -0.099  1.928  1   175.582 ? 69  B 1 .
ATOM 1419 O O    . ASP Bxp B 2  ? 35.996 0.776   1.973  1   188.938 ? 69  B 1 .
ATOM 1420 C CB   . ASP Bxp B 2  ? 38.189 1.371   0.269  1   181.414 ? 69  B 1 .
ATOM 1421 C CG   . ASP Bxp B 2  ? 38.095 1.233   -1.245 1   191.01  ? 69  B 1 .
ATOM 1422 O OD1  . ASP Bxp B 2  ? 37.202 0.498   -1.721 1   211.593 ? 69  B 1 .
ATOM 1423 O OD2  . ASP Bxp B 2  ? 38.923 1.856   -1.939 1   168.128 ? 69  B 1 .
ATOM 1424 H H    . ASP Bxp B 2  ? 37.529 -1.438  -0.206 1   183.305 ? 69  B 1 c
ATOM 1425 H HA   . ASP Bxp B 2  ? 38.876 0.103   1.664  1   180.584 ? 69  B 1 c
ATOM 1426 H HB3  . ASP Bxp B 2  ? 39.046 1.798   0.478  1   183.381 ? 69  B 1 c
ATOM 1427 H HB2  . ASP Bxp B 2  ? 37.479 1.98    0.559  1   183.48  ? 69  B 1 c
ATOM 1428 N N    . LYS Bxp B 3  ? 36.754 -1.258  2.592  1   166.062 ? 70  B 1 .
ATOM 1429 C CA   . LYS Bxp B 3  ? 36.222 -1.343  3.943  1   175.109 ? 70  B 1 .
ATOM 1430 C C    . LYS Bxp B 3  ? 37.431 -1.31   4.888  1   159.912 ? 70  B 1 .
ATOM 1431 O O    . LYS Bxp B 3  ? 37.295 -1.505  6.095  1   138.888 ? 70  B 1 .
ATOM 1432 C CB   . LYS Bxp B 3  ? 35.32  -2.584  4.051  1   181.741 ? 70  B 1 .
ATOM 1433 C CG   . LYS Bxp B 3  ? 34.09  -2.477  4.966  1   180.114 ? 70  B 1 .
ATOM 1434 C CD   . LYS Bxp B 3  ? 33.018 -1.477  4.535  1   183.927 ? 70  B 1 .
ATOM 1435 C CE   . LYS Bxp B 3  ? 32.187 -1.858  3.348  1   172.085 ? 70  B 1 .
ATOM 1436 N NZ   . LYS Bxp B 3  ? 32.896 -1.716  2.075  1   173.096 ? 70  B 1 .
ATOM 1437 H H    . LYS Bxp B 3  ? 37.02  -2.029  2.18   1   170.462 ? 70  B 1 c
ATOM 1438 H HA   . LYS Bxp B 3  ? 35.673 -0.537  4.114  1   171.827 ? 70  B 1 c
ATOM 1439 H HB3  . LYS Bxp B 3  ? 35.87  -3.331  4.371  1   179.673 ? 70  B 1 c
ATOM 1440 H HB2  . LYS Bxp B 3  ? 35.01  -2.818  3.151  1   179.542 ? 70  B 1 c
ATOM 1441 H HG3  . LYS Bxp B 3  ? 34.4   -2.237  5.865  1   181.218 ? 70  B 1 c
ATOM 1442 H HG2  . LYS Bxp B 3  ? 33.679 -3.367  5.028  1   181.321 ? 70  B 1 c
ATOM 1443 H HD3  . LYS Bxp B 3  ? 33.454 -0.618  4.348  1   180.109 ? 70  B 1 c
ATOM 1444 H HD2  . LYS Bxp B 3  ? 32.419 -1.329  5.298  1   180.218 ? 70  B 1 c
ATOM 1445 H HE3  . LYS Bxp B 3  ? 31.389 -1.299  3.326  1   174.953 ? 70  B 1 c
ATOM 1446 H HE2  . LYS Bxp B 3  ? 31.899 -2.783  3.444  1   174.967 ? 70  B 1 c
ATOM 1447 H HZ1  . LYS Bxp B 3  ? 33.157 -2.531  1.779  1   172.883 ? 70  B 1 c
ATOM 1448 H HZ2  . LYS Bxp B 3  ? 33.625 -1.187  2.173  1   173.003 ? 70  B 1 c
ATOM 1449 H HZ3  . LYS Bxp B 3  ? 32.343 -1.344  1.461  1   172.861 ? 70  B 1 c
ATOM 1450 N N    . LEU Bxp B 4  ? 38.612 -1.051  4.299  1   159.659 ? 71  B 1 .
ATOM 1451 C CA   . LEU Bxp B 4  ? 39.89  -0.923  4.986  1   158.412 ? 71  B 1 .
ATOM 1452 C C    . LEU Bxp B 4  ? 40.218 0.537   5.312  1   172.297 ? 71  B 1 .
ATOM 1453 O O    . LEU Bxp B 4  ? 40.865 0.81    6.324  1   174.407 ? 71  B 1 .
ATOM 1454 C CB   . LEU Bxp B 4  ? 40.981 -1.516  4.096  1   147.159 ? 71  B 1 .
ATOM 1455 C CG   . LEU Bxp B 4  ? 41.362 -2.974  4.356  1   137.19  ? 71  B 1 .
ATOM 1456 C CD1  . LEU Bxp B 4  ? 42.118 -3.512  3.156  1   150.407 ? 71  B 1 .
ATOM 1457 C CD2  . LEU Bxp B 4  ? 42.206 -3.118  5.605  1   134.455 ? 71  B 1 .
ATOM 1458 H H    . LEU Bxp B 4  ? 38.621 -0.965  3.392  1   159.916 ? 71  B 1 c
ATOM 1459 H HA   . LEU Bxp B 4  ? 39.846 -1.435  5.833  1   158.684 ? 71  B 1 c
ATOM 1460 H HB3  . LEU Bxp B 4  ? 41.791 -0.965  4.195  1   147.464 ? 71  B 1 c
ATOM 1461 H HB2  . LEU Bxp B 4  ? 40.692 -1.434  3.158  1   147.508 ? 71  B 1 c
ATOM 1462 H HG   . LEU Bxp B 4  ? 40.531 -3.503  4.472  1   140.839 ? 71  B 1 c
ATOM 1463 H HD11 . LEU Bxp B 4  ? 41.512 -3.596  2.401  1   146.351 ? 71  B 1 c
ATOM 1464 H HD12 . LEU Bxp B 4  ? 42.49  -4.385  3.37   1   146.297 ? 71  B 1 c
ATOM 1465 H HD13 . LEU Bxp B 4  ? 42.839 -2.902  2.926  1   146.355 ? 71  B 1 c
ATOM 1466 H HD21 . LEU Bxp B 4  ? 41.789 -2.635  6.338  1   135.53  ? 71  B 1 c
ATOM 1467 H HD22 . LEU Bxp B 4  ? 43.092 -2.753  5.442  1   135.401 ? 71  B 1 c
ATOM 1468 H HD23 . LEU Bxp B 4  ? 42.283 -4.058  5.839  1   135.339 ? 71  B 1 c
ATOM 1469 N N    . GLU Bxp B 5  ? 39.841 1.465   4.416  1   164.494 ? 72  B 1 .
ATOM 1470 C CA   . GLU Bxp B 5  ? 39.921 2.892   4.697  1   142.747 ? 72  B 1 .
ATOM 1471 C C    . GLU Bxp B 5  ? 39.011 3.235   5.867  1   138.653 ? 72  B 1 .
ATOM 1472 O O    . GLU Bxp B 5  ? 39.365 4.065   6.701  1   161.895 ? 72  B 1 .
ATOM 1473 C CB   . GLU Bxp B 5  ? 39.557 3.753   3.49   1   147.251 ? 72  B 1 .
ATOM 1474 C CG   . GLU Bxp B 5  ? 40.791 4.301   2.784  1   163.499 ? 72  B 1 .
ATOM 1475 C CD   . GLU Bxp B 5  ? 41.764 3.234   2.323  1   169.633 ? 72  B 1 .
ATOM 1476 O OE1  . GLU Bxp B 5  ? 41.316 2.073   2.112  1   178.721 ? 72  B 1 .
ATOM 1477 O OE2  . GLU Bxp B 5  ? 42.968 3.582   2.198  1   148.933 ? 72  B 1 .
ATOM 1478 H H    . GLU Bxp B 5  ? 39.532 1.196   3.599  1   161.002 ? 72  B 1 c
ATOM 1479 H HA   . GLU Bxp B 5  ? 40.854 3.1     4.961  1   147.112 ? 72  B 1 c
ATOM 1480 H HB3  . GLU Bxp B 5  ? 39     4.503   3.787  1   149.733 ? 72  B 1 c
ATOM 1481 H HB2  . GLU Bxp B 5  ? 39.029 3.219   2.861  1   150.023 ? 72  B 1 c
ATOM 1482 H HG3  . GLU Bxp B 5  ? 41.262 4.91    3.392  1   160.938 ? 72  B 1 c
ATOM 1483 H HG2  . GLU Bxp B 5  ? 40.507 4.822   2.003  1   160.999 ? 72  B 1 c
ATOM 1484 N N    . LEU Bxp B 6  ? 37.851 2.57    5.915  1   125.435 ? 73  B 1 .
ATOM 1485 C CA   . LEU Bxp B 6  ? 36.99  2.547   7.088  1   137.09  ? 73  B 1 .
ATOM 1486 C C    . LEU Bxp B 6  ? 37.813 2.504   8.388  1   130     ? 73  B 1 .
ATOM 1487 O O    . LEU Bxp B 6  ? 37.302 2.841   9.454  1   110.707 ? 73  B 1 .
ATOM 1488 C CB   . LEU Bxp B 6  ? 36.08  1.324   6.934  1   155.519 ? 73  B 1 .
ATOM 1489 C CG   . LEU Bxp B 6  ? 34.622 1.471   7.39   1   167.509 ? 73  B 1 .
ATOM 1490 C CD1  . LEU Bxp B 6  ? 33.758 2.125   6.296  1   146.234 ? 73  B 1 .
ATOM 1491 C CD2  . LEU Bxp B 6  ? 34.058 0.11    7.839  1   163.371 ? 73  B 1 .
ATOM 1492 H H    . LEU Bxp B 6  ? 37.576 2.123   5.166  1   131.727 ? 73  B 1 c
ATOM 1493 H HA   . LEU Bxp B 6  ? 36.437 3.369   7.087  1   136.528 ? 73  B 1 c
ATOM 1494 H HB3  . LEU Bxp B 6  ? 36.486 0.58    7.435  1   153.49  ? 73  B 1 c
ATOM 1495 H HB2  . LEU Bxp B 6  ? 36.077 1.058   5.986  1   153.236 ? 73  B 1 c
ATOM 1496 H HG   . LEU Bxp B 6  ? 34.61  2.073   8.178  1   160.371 ? 73  B 1 c
ATOM 1497 H HD11 . LEU Bxp B 6  ? 34.102 3.011   6.097  1   152.153 ? 73  B 1 c
ATOM 1498 H HD12 . LEU Bxp B 6  ? 32.84  2.197   6.607  1   152.153 ? 73  B 1 c
ATOM 1499 H HD13 . LEU Bxp B 6  ? 33.785 1.579   5.492  1   152.153 ? 73  B 1 c
ATOM 1500 H HD21 . LEU Bxp B 6  ? 34.723 -0.36   8.37   1   164.472 ? 73  B 1 c
ATOM 1501 H HD22 . LEU Bxp B 6  ? 33.833 -0.421  7.058  1   164.742 ? 73  B 1 c
ATOM 1502 H HD23 . LEU Bxp B 6  ? 33.26  0.251   8.374  1   164.583 ? 73  B 1 c
ATOM 1503 N N    . LEU Bxp B 7  ? 39.089 2.086   8.299  1   136.833 ? 74  B 1 .
ATOM 1504 C CA   . LEU Bxp B 7  ? 39.993 2.002   9.44   1   133.102 ? 74  B 1 .
ATOM 1505 C C    . LEU Bxp B 7  ? 40.709 3.324   9.676  1   129.319 ? 74  B 1 .
ATOM 1506 O O    . LEU Bxp B 7  ? 40.792 3.777   10.81  1   141.01  ? 74  B 1 .
ATOM 1507 C CB   . LEU Bxp B 7  ? 41.057 0.922   9.266  1   128.525 ? 74  B 1 .
ATOM 1508 C CG   . LEU Bxp B 7  ? 40.59  -0.524  9.422  1   137.264 ? 74  B 1 .
ATOM 1509 C CD1  . LEU Bxp B 7  ? 41.815 -1.364  9.148  1   138.47  ? 74  B 1 .
ATOM 1510 C CD2  . LEU Bxp B 7  ? 39.963 -0.856  10.784 1   138.567 ? 74  B 1 .
ATOM 1511 H H    . LEU Bxp B 7  ? 39.401 1.803   7.489  1   134.46  ? 74  B 1 c
ATOM 1512 H HA   . LEU Bxp B 7  ? 39.455 1.794   10.244 1   132.375 ? 74  B 1 c
ATOM 1513 H HB3  . LEU Bxp B 7  ? 41.769 1.088   9.925  1   131.654 ? 74  B 1 c
ATOM 1514 H HB2  . LEU Bxp B 7  ? 41.461 1.028   8.375  1   131.915 ? 74  B 1 c
ATOM 1515 H HG   . LEU Bxp B 7  ? 39.919 -0.713  8.716  1   136.063 ? 74  B 1 c
ATOM 1516 H HD11 . LEU Bxp B 7  ? 42.124 -1.202  8.241  1   137.985 ? 74  B 1 c
ATOM 1517 H HD12 . LEU Bxp B 7  ? 41.592 -2.305  9.249  1   138.063 ? 74  B 1 c
ATOM 1518 H HD13 . LEU Bxp B 7  ? 42.518 -1.13   9.776  1   137.983 ? 74  B 1 c
ATOM 1519 H HD21 . LEU Bxp B 7  ? 39.061 -0.494  10.824 1   138.144 ? 74  B 1 c
ATOM 1520 H HD22 . LEU Bxp B 7  ? 40.5   -0.464  11.493 1   138.174 ? 74  B 1 c
ATOM 1521 H HD23 . LEU Bxp B 7  ? 39.929 -1.82   10.9   1   138.174 ? 74  B 1 c
ATOM 1522 N N    . LEU Bxp B 8  ? 41.284 3.899   8.618  1   117.277 ? 75  B 1 .
ATOM 1523 C CA   . LEU Bxp B 8  ? 41.946 5.189   8.723  1   113.439 ? 75  B 1 .
ATOM 1524 C C    . LEU Bxp B 8  ? 41.063 6.224   9.432  1   119.353 ? 75  B 1 .
ATOM 1525 O O    . LEU Bxp B 8  ? 41.561 7.28    9.819  1   125.493 ? 75  B 1 .
ATOM 1526 C CB   . LEU Bxp B 8  ? 42.356 5.667   7.334  1   112.761 ? 75  B 1 .
ATOM 1527 C CG   . LEU Bxp B 8  ? 43.668 5.09    6.796  1   116.258 ? 75  B 1 .
ATOM 1528 C CD1  . LEU Bxp B 8  ? 43.921 5.581   5.377  1   127.747 ? 75  B 1 .
ATOM 1529 C CD2  . LEU Bxp B 8  ? 44.843 5.437   7.692  1   113.121 ? 75  B 1 .
ATOM 1530 H H    . LEU Bxp B 8  ? 41.271 3.472   7.809  1   119.251 ? 75  B 1 c
ATOM 1531 H HA   . LEU Bxp B 8  ? 42.761 5.065   9.269  1   115.066 ? 75  B 1 c
ATOM 1532 H HB3  . LEU Bxp B 8  ? 42.434 6.648   7.354  1   113.882 ? 75  B 1 c
ATOM 1533 H HB2  . LEU Bxp B 8  ? 41.635 5.44    6.703  1   114.056 ? 75  B 1 c
ATOM 1534 H HG   . LEU Bxp B 8  ? 43.583 4.102   6.769  1   117.051 ? 75  B 1 c
ATOM 1535 H HD11 . LEU Bxp B 8  ? 43.136 5.412   4.83   1   124.174 ? 75  B 1 c
ATOM 1536 H HD12 . LEU Bxp B 8  ? 44.685 5.111   5.002  1   124.229 ? 75  B 1 c
ATOM 1537 H HD13 . LEU Bxp B 8  ? 44.105 6.536   5.392  1   124.229 ? 75  B 1 c
ATOM 1538 H HD21 . LEU Bxp B 8  ? 44.916 4.779   8.403  1   114.064 ? 75  B 1 c
ATOM 1539 H HD22 . LEU Bxp B 8  ? 44.707 6.318   8.08   1   114.052 ? 75  B 1 c
ATOM 1540 H HD23 . LEU Bxp B 8  ? 45.662 5.438   7.168  1   114.119 ? 75  B 1 c
ATOM 1541 N N    . ASP Bxp B 9  ? 39.769 5.917   9.626  1   114.01  ? 76  B 1 .
ATOM 1542 C CA   . ASP Bxp B 9  ? 38.829 6.849   10.229 1   111.606 ? 76  B 1 .
ATOM 1543 C C    . ASP Bxp B 9  ? 38.5   6.502   11.683 1   119.348 ? 76  B 1 .
ATOM 1544 O O    . ASP Bxp B 9  ? 37.503 6.995   12.205 1   121.618 ? 76  B 1 .
ATOM 1545 C CB   . ASP Bxp B 9  ? 37.537 6.892   9.43   1   120.868 ? 76  B 1 .
ATOM 1546 C CG   . ASP Bxp B 9  ? 37.67  7.245   7.952  1   152.715 ? 76  B 1 .
ATOM 1547 O OD1  . ASP Bxp B 9  ? 38.777 7.649   7.521  1   166.73  ? 76  B 1 .
ATOM 1548 O OD2  . ASP Bxp B 9  ? 36.66  7.113   7.231  1   171.782 ? 76  B 1 .
ATOM 1549 H H    . ASP Bxp B 9  ? 39.452 5.109   9.344  1   114.837 ? 76  B 1 c
ATOM 1550 H HA   . ASP Bxp B 9  ? 39.223 7.75    10.205 1   115.225 ? 76  B 1 c
ATOM 1551 H HB3  . ASP Bxp B 9  ? 36.937 7.552   9.836  1   125.229 ? 76  B 1 c
ATOM 1552 H HB2  . ASP Bxp B 9  ? 37.103 6.016   9.493  1   125.213 ? 76  B 1 c
ATOM 1553 N N    . ILE Bxp B 10 ? 39.311 5.675   12.36  1   135.461 ? 77  B 1 .
ATOM 1554 C CA   . ILE Bxp B 10 ? 38.973 5.289   13.724 1   137.758 ? 77  B 1 .
ATOM 1555 C C    . ILE Bxp B 10 ? 39.091 6.543   14.579 1   122.788 ? 77  B 1 .
ATOM 1556 O O    . ILE Bxp B 10 ? 40.084 7.254   14.463 1   126.415 ? 77  B 1 .
ATOM 1557 C CB   . ILE Bxp B 10 ? 39.86  4.168   14.316 1   152.41  ? 77  B 1 .
ATOM 1558 C CG1  . ILE Bxp B 10 ? 40.101 2.975   13.371 1   150.311 ? 77  B 1 .
ATOM 1559 C CG2  . ILE Bxp B 10 ? 39.294 3.695   15.659 1   155.196 ? 77  B 1 .
ATOM 1560 C CD1  . ILE Bxp B 10 ? 38.914 2.042   13.175 1   156.845 ? 77  B 1 .
ATOM 1561 H H    . ILE Bxp B 10 ? 40.086 5.371   11.982 1   131.975 ? 77  B 1 c
ATOM 1562 H HA   . ILE Bxp B 10 ? 38.047 4.983   13.734 1   136.637 ? 77  B 1 c
ATOM 1563 H HB   . ILE Bxp B 10 ? 40.735 4.566   14.497 1   149.537 ? 77  B 1 c
ATOM 1564 H HG12 . ILE Bxp B 10 ? 40.849 2.451   13.724 1   152.17  ? 77  B 1 c
ATOM 1565 H HG13 . ILE Bxp B 10 ? 40.372 3.318   12.5   1   151.779 ? 77  B 1 c
ATOM 1566 H HG21 . ILE Bxp B 10 ? 39.737 2.873   15.927 1   154.22  ? 77  B 1 c
ATOM 1567 H HG22 . ILE Bxp B 10 ? 38.34  3.533   15.572 1   153.99  ? 77  B 1 c
ATOM 1568 H HG23 . ILE Bxp B 10 ? 39.444 4.376   16.336 1   154.068 ? 77  B 1 c
ATOM 1569 H HD11 . ILE Bxp B 10 ? 38.736 1.557   14.003 1   154.854 ? 77  B 1 c
ATOM 1570 H HD12 . ILE Bxp B 10 ? 39.115 1.403   12.465 1   154.712 ? 77  B 1 c
ATOM 1571 H HD13 . ILE Bxp B 10 ? 38.126 2.562   12.928 1   154.851 ? 77  B 1 c
ATOM 1572 N N    . PRO Bxp B 11 ? 38.099 6.864   15.44  1   122.145 ? 78  B 1 .
ATOM 1573 C CA   . PRO Bxp B 11 ? 38.295 7.905   16.445 1   129.394 ? 78  B 1 .
ATOM 1574 C C    . PRO Bxp B 11 ? 39.393 7.52    17.436 1   129.985 ? 78  B 1 .
ATOM 1575 O O    . PRO Bxp B 11 ? 39.35  6.432   18.008 1   145.459 ? 78  B 1 .
ATOM 1576 C CB   . PRO Bxp B 11 ? 36.917 8.061   17.094 1   131.627 ? 78  B 1 .
ATOM 1577 C CG   . PRO Bxp B 11 ? 36.234 6.728   16.817 1   135.727 ? 78  B 1 .
ATOM 1578 C CD   . PRO Bxp B 11 ? 36.768 6.24    15.499 1   127.393 ? 78  B 1 .
ATOM 1579 H HA   . PRO Bxp B 11 ? 38.537 8.743   15.998 1   128.287 ? 78  B 1 c
ATOM 1580 H HB3  . PRO Bxp B 11 ? 36.421 8.8     16.689 1   132.057 ? 78  B 1 c
ATOM 1581 H HB2  . PRO Bxp B 11 ? 36.999 8.218   18.054 1   132.155 ? 78  B 1 c
ATOM 1582 H HG3  . PRO Bxp B 11 ? 35.263 6.843   16.769 1   132.852 ? 78  B 1 c
ATOM 1583 H HG2  . PRO Bxp B 11 ? 36.436 6.085   17.525 1   132.852 ? 78  B 1 c
ATOM 1584 H HD3  . PRO Bxp B 11 ? 36.836 5.267   15.485 1   128.244 ? 78  B 1 c
ATOM 1585 H HD2  . PRO Bxp B 11 ? 36.211 6.539   14.754 1   128.016 ? 78  B 1 c
ATOM 1586 N N    . LEU Bxp B 12 ? 40.407 8.386   17.577 1   117.157 ? 79  B 1 .
ATOM 1587 C CA   . LEU Bxp B 12 ? 41.5   8.187   18.52  1   102.547 ? 79  B 1 .
ATOM 1588 C C    . LEU Bxp B 12 ? 41.486 9.295   19.566 1   100.747 ? 79  B 1 .
ATOM 1589 O O    . LEU Bxp B 12 ? 41.389 10.473  19.229 1   99.897  ? 79  B 1 .
ATOM 1590 C CB   . LEU Bxp B 12 ? 42.859 8.172   17.82  1   99.064  ? 79  B 1 .
ATOM 1591 C CG   . LEU Bxp B 12 ? 43.32  6.838   17.231 1   91.442  ? 79  B 1 .
ATOM 1592 C CD1  . LEU Bxp B 12 ? 44.788 6.879   16.812 1   83.784  ? 79  B 1 .
ATOM 1593 C CD2  . LEU Bxp B 12 ? 43.073 5.742   18.243 1   91.434  ? 79  B 1 .
ATOM 1594 H H    . LEU Bxp B 12 ? 40.418 9.136   17.055 1   116.338 ? 79  B 1 c
ATOM 1595 H HA   . LEU Bxp B 12 ? 41.359 7.325   18.981 1   104.258 ? 79  B 1 c
ATOM 1596 H HB3  . LEU Bxp B 12 ? 43.539 8.473   18.467 1   98.063  ? 79  B 1 c
ATOM 1597 H HB2  . LEU Bxp B 12 ? 42.838 8.838   17.097 1   98.07   ? 79  B 1 c
ATOM 1598 H HG   . LEU Bxp B 12 ? 42.772 6.648   16.426 1   91.312  ? 79  B 1 c
ATOM 1599 H HD11 . LEU Bxp B 12 ? 44.95  7.671   16.273 1   86.086  ? 79  B 1 c
ATOM 1600 H HD12 . LEU Bxp B 12 ? 44.999 6.086   16.292 1   86.015  ? 79  B 1 c
ATOM 1601 H HD13 . LEU Bxp B 12 ? 45.351 6.906   17.604 1   86.1    ? 79  B 1 c
ATOM 1602 H HD21 . LEU Bxp B 12 ? 42.153 5.435   18.175 1   91.648  ? 79  B 1 c
ATOM 1603 H HD22 . LEU Bxp B 12 ? 43.237 6.082   19.138 1   91.794  ? 79  B 1 c
ATOM 1604 H HD23 . LEU Bxp B 12 ? 43.674 4.998   18.067 1   91.501  ? 79  B 1 c
ATOM 1605 N N    . LYS Bxp B 13 ? 41.681 8.904   20.827 1   96.933  ? 80  B 1 .
ATOM 1606 C CA   . LYS Bxp B 13 ? 41.499 9.808   21.947 1   108.049 ? 80  B 1 .
ATOM 1607 C C    . LYS Bxp B 13 ? 42.839 10.461  22.303 1   101.905 ? 80  B 1 .
ATOM 1608 O O    . LYS Bxp B 13 ? 43.719 9.805   22.845 1   108.725 ? 80  B 1 .
ATOM 1609 C CB   . LYS Bxp B 13 ? 40.872 8.966   23.063 1   125.426 ? 80  B 1 .
ATOM 1610 C CG   . LYS Bxp B 13 ? 39.87  9.688   23.945 1   151.965 ? 80  B 1 .
ATOM 1611 C CD   . LYS Bxp B 13 ? 39.89  9.203   25.389 1   174.182 ? 80  B 1 .
ATOM 1612 C CE   . LYS Bxp B 13 ? 41.132 9.678   26.095 1   173.312 ? 80  B 1 .
ATOM 1613 N NZ   . LYS Bxp B 13 ? 41.161 9.364   27.525 1   167.517 ? 80  B 1 .
ATOM 1614 H H    . LYS Bxp B 13 ? 41.949 8.046   20.993 1   100.654 ? 80  B 1 c
ATOM 1615 H HA   . LYS Bxp B 13 ? 40.856 10.514  21.682 1   107.561 ? 80  B 1 c
ATOM 1616 H HB3  . LYS Bxp B 13 ? 41.589 8.613   23.63  1   127.124 ? 80  B 1 c
ATOM 1617 H HB2  . LYS Bxp B 13 ? 40.417 8.198   22.655 1   126.412 ? 80  B 1 c
ATOM 1618 H HG3  . LYS Bxp B 13 ? 38.971 9.554   23.573 1   149.958 ? 80  B 1 c
ATOM 1619 H HG2  . LYS Bxp B 13 ? 40.067 10.649  23.924 1   149.53  ? 80  B 1 c
ATOM 1620 H HD3  . LYS Bxp B 13 ? 39.863 8.221   25.405 1   168.693 ? 80  B 1 c
ATOM 1621 H HD2  . LYS Bxp B 13 ? 39.098 9.545   25.858 1   168.691 ? 80  B 1 c
ATOM 1622 H HE3  . LYS Bxp B 13 ? 41.205 10.644  25.989 1   171.83  ? 80  B 1 c
ATOM 1623 H HE2  . LYS Bxp B 13 ? 41.914 9.276   25.678 1   171.43  ? 80  B 1 c
ATOM 1624 H HZ1  . LYS Bxp B 13 ? 41.645 8.61    27.661 1   169.046 ? 80  B 1 c
ATOM 1625 H HZ2  . LYS Bxp B 13 ? 40.319 9.235   27.835 1   168.677 ? 80  B 1 c
ATOM 1626 H HZ3  . LYS Bxp B 13 ? 41.543 10.048  27.98  1   168.659 ? 80  B 1 c
ATOM 1627 N N    . VAL Bxp B 14 ? 42.974 11.768  22.023 1   99.397  ? 81  B 1 .
ATOM 1628 C CA   . VAL Bxp B 14 ? 44.214 12.51   22.231 1   86.628  ? 81  B 1 .
ATOM 1629 C C    . VAL Bxp B 14 ? 44.156 13.36   23.501 1   89.451  ? 81  B 1 .
ATOM 1630 O O    . VAL Bxp B 14 ? 43.211 14.111  23.719 1   86.925  ? 81  B 1 .
ATOM 1631 C CB   . VAL Bxp B 14 ? 44.532 13.444  21.062 1   84.019  ? 81  B 1 .
ATOM 1632 C CG1  . VAL Bxp B 14 ? 45.793 14.234  21.354 1   86.488  ? 81  B 1 .
ATOM 1633 C CG2  . VAL Bxp B 14 ? 44.625 12.695  19.745 1   96.316  ? 81  B 1 .
ATOM 1634 H H    . VAL Bxp B 14 ? 42.255 12.219  21.685 1   97.089  ? 81  B 1 c
ATOM 1635 H HA   . VAL Bxp B 14 ? 44.945 11.868  22.319 1   89.164  ? 81  B 1 c
ATOM 1636 H HB   . VAL Bxp B 14 ? 43.788 14.078  20.991 1   87.516  ? 81  B 1 c
ATOM 1637 H HG11 . VAL Bxp B 14 ? 46.434 13.667  21.816 1   85.855  ? 81  B 1 c
ATOM 1638 H HG12 . VAL Bxp B 14 ? 45.577 14.999  21.913 1   85.813  ? 81  B 1 c
ATOM 1639 H HG13 . VAL Bxp B 14 ? 46.183 14.546  20.52  1   85.883  ? 81  B 1 c
ATOM 1640 H HG21 . VAL Bxp B 14 ? 45.149 13.212  19.111 1   92.411  ? 81  B 1 c
ATOM 1641 H HG22 . VAL Bxp B 14 ? 43.732 12.556  19.388 1   92.478  ? 81  B 1 c
ATOM 1642 H HG23 . VAL Bxp B 14 ? 45.051 11.834  19.891 1   92.483  ? 81  B 1 c
ATOM 1643 N N    . THR Bxp B 15 ? 45.234 13.283  24.289 1   93.551  ? 82  B 1 .
ATOM 1644 C CA   . THR Bxp B 15 ? 45.341 13.904  25.598 1   84.704  ? 82  B 1 .
ATOM 1645 C C    . THR Bxp B 15 ? 46.564 14.795  25.563 1   80.778  ? 82  B 1 .
ATOM 1646 O O    . THR Bxp B 15 ? 47.614 14.362  25.099 1   85.945  ? 82  B 1 .
ATOM 1647 C CB   . THR Bxp B 15 ? 45.531 12.828  26.668 1   87.895  ? 82  B 1 .
ATOM 1648 O OG1  . THR Bxp B 15 ? 44.499 11.868  26.475 1   106.796 ? 82  B 1 .
ATOM 1649 C CG2  . THR Bxp B 15 ? 45.492 13.363  28.089 1   91.191  ? 82  B 1 .
ATOM 1650 H H    . THR Bxp B 15 ? 45.953 12.808  23.985 1   90.351  ? 82  B 1 c
ATOM 1651 H HA   . THR Bxp B 15 ? 44.536 14.433  25.789 1   86.037  ? 82  B 1 c
ATOM 1652 H HB   . THR Bxp B 15 ? 46.404 12.389  26.528 1   91.228  ? 82  B 1 c
ATOM 1653 H HG1  . THR Bxp B 15 ? 43.715 12.126  26.628 0   97.57   ? 82  B 1 c
ATOM 1654 H HG21 . THR Bxp B 15 ? 45.341 12.629  28.708 1   90.194  ? 82  B 1 c
ATOM 1655 H HG22 . THR Bxp B 15 ? 44.772 14.01   28.173 1   90.194  ? 82  B 1 c
ATOM 1656 H HG23 . THR Bxp B 15 ? 46.339 13.793  28.298 1   90.159  ? 82  B 1 c
ATOM 1657 N N    . VAL Bxp B 16 ? 46.438 16.02   26.058 1   73.196  ? 83  B 1 .
ATOM 1658 C CA   . VAL Bxp B 16 ? 47.635 16.773  26.357 1   71.59   ? 83  B 1 .
ATOM 1659 C C    . VAL Bxp B 16 ? 47.74  16.929  27.856 1   72.718  ? 83  B 1 .
ATOM 1660 O O    . VAL Bxp B 16 ? 46.835 17.458  28.479 1   79.029  ? 83  B 1 .
ATOM 1661 C CB   . VAL Bxp B 16 ? 47.66  18.153  25.715 1   71.898  ? 83  B 1 .
ATOM 1662 C CG1  . VAL Bxp B 16 ? 48.755 18.999  26.349 1   74.003  ? 83  B 1 .
ATOM 1663 C CG2  . VAL Bxp B 16 ? 47.81  18.039  24.209 1   76.815  ? 83  B 1 .
ATOM 1664 H H    . VAL Bxp B 16 ? 45.615 16.39   26.208 1   74.717  ? 83  B 1 c
ATOM 1665 H HA   . VAL Bxp B 16 ? 48.409 16.271  26.04  1   72.333  ? 83  B 1 c
ATOM 1666 H HB   . VAL Bxp B 16 ? 46.793 18.582  25.905 1   73.122  ? 83  B 1 c
ATOM 1667 H HG11 . VAL Bxp B 16 ? 49.538 18.448  26.518 1   73.397  ? 83  B 1 c
ATOM 1668 H HG12 . VAL Bxp B 16 ? 48.436 19.374  27.186 1   73.507  ? 83  B 1 c
ATOM 1669 H HG13 . VAL Bxp B 16 ? 48.996 19.721  25.745 1   73.423  ? 83  B 1 c
ATOM 1670 H HG21 . VAL Bxp B 16 ? 47.348 18.778  23.781 1   75.822  ? 83  B 1 c
ATOM 1671 H HG22 . VAL Bxp B 16 ? 47.425 17.2    23.906 1   75.447  ? 83  B 1 c
ATOM 1672 H HG23 . VAL Bxp B 16 ? 48.752 18.065  23.974 1   75.633  ? 83  B 1 c
ATOM 1673 N N    . GLU Bxp B 17 ? 48.858 16.508  28.425 1   74.637  ? 84  B 1 .
ATOM 1674 C CA   . GLU Bxp B 17 ? 48.949 16.572  29.862 1   78.193  ? 84  B 1 .
ATOM 1675 C C    . GLU Bxp B 17 ? 50.139 17.418  30.241 1   80.707  ? 84  B 1 .
ATOM 1676 O O    . GLU Bxp B 17 ? 51.182 17.347  29.613 1   87.175  ? 84  B 1 .
ATOM 1677 C CB   . GLU Bxp B 17 ? 49.005 15.213  30.543 1   90.681  ? 84  B 1 .
ATOM 1678 C CG   . GLU Bxp B 17 ? 50.1   14.284  30.038 1   104.542 ? 84  B 1 .
ATOM 1679 C CD   . GLU Bxp B 17 ? 50.085 12.966  30.805 1   122.531 ? 84  B 1 .
ATOM 1680 O OE1  . GLU Bxp B 17 ? 49.108 12.142  30.718 1   106.865 ? 84  B 1 .
ATOM 1681 O OE2  . GLU Bxp B 17 ? 51.091 12.81   31.544 1   115.368 ? 84  B 1 .
ATOM 1682 H H    . GLU Bxp B 17 ? 49.557 16.187  27.933 1   75.04   ? 84  B 1 c
ATOM 1683 H HA   . GLU Bxp B 17 ? 48.14  17.025  30.197 1   80.252  ? 84  B 1 c
ATOM 1684 H HB3  . GLU Bxp B 17 ? 48.141 14.767  30.421 1   90.543  ? 84  B 1 c
ATOM 1685 H HB2  . GLU Bxp B 17 ? 49.134 15.35   31.504 1   90.481  ? 84  B 1 c
ATOM 1686 H HG3  . GLU Bxp B 17 ? 50.975 14.712  30.151 1   104.738 ? 84  B 1 c
ATOM 1687 H HG2  . GLU Bxp B 17 ? 49.962 14.102  29.084 1   104.639 ? 84  B 1 c
ATOM 1688 N N    . LEU Bxp B 18 ? 49.934 18.154  31.325 1   91.277  ? 85  B 1 .
ATOM 1689 C CA   . LEU Bxp B 18 ? 50.782 19.259  31.714 1   96.602  ? 85  B 1 .
ATOM 1690 C C    . LEU Bxp B 18 ? 51.983 18.724  32.472 1   90.64   ? 85  B 1 .
ATOM 1691 O O    . LEU Bxp B 18 ? 53.122 19.056  32.161 1   89.188  ? 85  B 1 .
ATOM 1692 C CB   . LEU Bxp B 18 ? 49.942 20.187  32.583 1   98.949  ? 85  B 1 .
ATOM 1693 C CG   . LEU Bxp B 18 ? 50.618 21.49   32.995 1   105.003 ? 85  B 1 .
ATOM 1694 C CD1  . LEU Bxp B 18 ? 51.016 22.262  31.754 1   120.764 ? 85  B 1 .
ATOM 1695 C CD2  . LEU Bxp B 18 ? 49.68  22.283  33.869 1   108.724 ? 85  B 1 .
ATOM 1696 H H    . LEU Bxp B 18 ? 49.224 17.948  31.863 1   89.75   ? 85  B 1 c
ATOM 1697 H HA   . LEU Bxp B 18 ? 51.083 19.735  30.905 1   94.975  ? 85  B 1 c
ATOM 1698 H HB3  . LEU Bxp B 18 ? 49.685 19.7    33.399 1   99.584  ? 85  B 1 c
ATOM 1699 H HB2  . LEU Bxp B 18 ? 49.115 20.404  32.095 1   99.694  ? 85  B 1 c
ATOM 1700 H HG   . LEU Bxp B 18 ? 51.435 21.275  33.515 1   107.205 ? 85  B 1 c
ATOM 1701 H HD11 . LEU Bxp B 18 ? 51.956 22.104  31.562 1   115.634 ? 85  B 1 c
ATOM 1702 H HD12 . LEU Bxp B 18 ? 50.872 23.212  31.901 1   115.558 ? 85  B 1 c
ATOM 1703 H HD13 . LEU Bxp B 18 ? 50.48  21.968  30.999 1   114.995 ? 85  B 1 c
ATOM 1704 H HD21 . LEU Bxp B 18 ? 49.432 21.753  34.645 1   107.524 ? 85  B 1 c
ATOM 1705 H HD22 . LEU Bxp B 18 ? 48.88  22.51   33.365 1   107.524 ? 85  B 1 c
ATOM 1706 H HD23 . LEU Bxp B 18 ? 50.119 23.099  34.161 1   107.272 ? 85  B 1 c
ATOM 1707 N N    . GLY Bxp B 19 ? 51.673 17.93   33.49  1   93.219  ? 86  B 1 .
ATOM 1708 C CA   . GLY Bxp B 19 ? 52.67  17.248  34.274 1   96.676  ? 86  B 1 .
ATOM 1709 C C    . GLY Bxp B 19 ? 52.035 16.026  34.91  1   92.027  ? 86  B 1 .
ATOM 1710 O O    . GLY Bxp B 19 ? 51.021 15.53   34.428 1   94.223  ? 86  B 1 .
ATOM 1711 H H    . GLY Bxp B 19 ? 50.793 17.807  33.705 1   93.454  ? 86  B 1 c
ATOM 1712 H HA3  . GLY Bxp B 19 ? 53.017 17.852  34.969 1   94.868  ? 86  B 1 c
ATOM 1713 H HA2  . GLY Bxp B 19 ? 53.42  16.975  33.695 1   94.754  ? 86  B 1 c
ATOM 1714 N N    . ARG Bxp B 20 ? 52.639 15.583  36.009 1   94.934  ? 87  B 1 .
ATOM 1715 C CA   . ARG Bxp B 20 ? 52.412 14.241  36.497 1   95.669  ? 87  B 1 .
ATOM 1716 C C    . ARG Bxp B 20 ? 53.225 14.019  37.769 1   87.018  ? 87  B 1 .
ATOM 1717 O O    . ARG Bxp B 20 ? 54.439 14.077  37.745 1   88.741  ? 87  B 1 .
ATOM 1718 C CB   . ARG Bxp B 20 ? 52.829 13.244  35.41  1   101.145 ? 87  B 1 .
ATOM 1719 C CG   . ARG Bxp B 20 ? 51.857 12.078  35.363 1   111.164 ? 87  B 1 .
ATOM 1720 C CD   . ARG Bxp B 20 ? 52.493 10.794  34.884 1   115.972 ? 87  B 1 .
ATOM 1721 N NE   . ARG Bxp B 20 ? 52.493 10.727  33.422 1   109.034 ? 87  B 1 .
ATOM 1722 C CZ   . ARG Bxp B 20 ? 51.631 10.019  32.712 1   114.463 ? 87  B 1 .
ATOM 1723 N NH1  . ARG Bxp B 20 ? 50.583 9.466   33.294 1   127.265 ? 87  B 1 .
ATOM 1724 N NH2  . ARG Bxp B 20 ? 51.799 9.888   31.41  1   117.373 ? 87  B 1 .
ATOM 1725 H H    . ARG Bxp B 20 ? 53.219 16.126  36.457 1   94.346  ? 87  B 1 c
ATOM 1726 H HA   . ARG Bxp B 20 ? 51.45  14.141  36.698 1   94.897  ? 87  B 1 c
ATOM 1727 H HB3  . ARG Bxp B 20 ? 53.731 12.909  35.599 1   102.01  ? 87  B 1 c
ATOM 1728 H HB2  . ARG Bxp B 20 ? 52.846 13.686  34.535 1   101.916 ? 87  B 1 c
ATOM 1729 H HG3  . ARG Bxp B 20 ? 51.11  12.305  34.767 1   109.789 ? 87  B 1 c
ATOM 1730 H HG2  . ARG Bxp B 20 ? 51.489 11.928  36.26  1   109.494 ? 87  B 1 c
ATOM 1731 H HD3  . ARG Bxp B 20 ? 52.002 10.03   35.247 1   113.324 ? 87  B 1 c
ATOM 1732 H HD2  . ARG Bxp B 20 ? 53.415 10.742  35.209 1   113.078 ? 87  B 1 c
ATOM 1733 H HE   . ARG Bxp B 20 ? 53.097 11.183  32.99  1   111.95  ? 87  B 1 c
ATOM 1734 H HH11 . ARG Bxp B 20 ? 50.074 9.945   33.835 1   123.077 ? 87  B 1 c
ATOM 1735 H HH12 . ARG Bxp B 20 ? 50.391 8.619   33.132 1   123.248 ? 87  B 1 c
ATOM 1736 H HH21 . ARG Bxp B 20 ? 52.615 9.817   31.077 1   116.434 ? 87  B 1 c
ATOM 1737 H HH22 . ARG Bxp B 20 ? 51.094 9.873   30.876 1   116.461 ? 87  B 1 c
ATOM 1738 N N    . THR Bxp B 21 ? 52.554 13.741  38.884 1   91.655  ? 88  B 1 .
ATOM 1739 C CA   . THR Bxp B 21 ? 53.237 13.478  40.137 1   95.049  ? 88  B 1 .
ATOM 1740 C C    . THR Bxp B 21 ? 52.802 12.105  40.659 1   103.981 ? 88  B 1 .
ATOM 1741 O O    . THR Bxp B 21 ? 52.135 11.346  39.949 1   113.259 ? 88  B 1 .
ATOM 1742 C CB   . THR Bxp B 21 ? 52.955 14.641  41.09  1   105.523 ? 88  B 1 .
ATOM 1743 O OG1  . THR Bxp B 21 ? 53.635 14.365  42.31  1   131.784 ? 88  B 1 .
ATOM 1744 C CG2  . THR Bxp B 21 ? 51.482 14.879  41.382 1   107.225 ? 88  B 1 .
ATOM 1745 H H    . THR Bxp B 21 ? 51.641 13.703  38.862 1   91.526  ? 88  B 1 c
ATOM 1746 H HA   . THR Bxp B 21 ? 54.202 13.45   39.965 1   97.677  ? 88  B 1 c
ATOM 1747 H HB   . THR Bxp B 21 ? 53.326 15.467  40.699 1   108.208 ? 88  B 1 c
ATOM 1748 H HG1  . THR Bxp B 21 ? 53.372 13.631  42.708 0   102.37  ? 88  B 1 c
ATOM 1749 H HG21 . THR Bxp B 21 ? 51.393 15.598  42.03  1   106.494 ? 88  B 1 c
ATOM 1750 H HG22 . THR Bxp B 21 ? 51.088 14.069  41.745 1   106.322 ? 88  B 1 c
ATOM 1751 H HG23 . THR Bxp B 21 ? 51.022 15.126  40.563 1   106.302 ? 88  B 1 c
ATOM 1752 N N    . ARG Bxp B 22 ? 53.251 11.766  41.872 1   97.471  ? 89  B 1 .
ATOM 1753 C CA   . ARG Bxp B 22 ? 52.916 10.51   42.52  1   85.905  ? 89  B 1 .
ATOM 1754 C C    . ARG Bxp B 22 ? 52.639 10.811  43.985 1   81.626  ? 89  B 1 .
ATOM 1755 O O    . ARG Bxp B 22 ? 53.427 11.483  44.621 1   106.225 ? 89  B 1 .
ATOM 1756 C CB   . ARG Bxp B 22 ? 54.08  9.514   42.444 1   93.28   ? 89  B 1 .
ATOM 1757 C CG   . ARG Bxp B 22 ? 54.999 9.58    41.228 1   115.255 ? 89  B 1 .
ATOM 1758 C CD   . ARG Bxp B 22 ? 55.547 8.19    40.825 1   136.168 ? 89  B 1 .
ATOM 1759 N NE   . ARG Bxp B 22 ? 54.808 7.596   39.699 1   151.511 ? 89  B 1 .
ATOM 1760 C CZ   . ARG Bxp B 22 ? 53.977 6.542   39.69  1   141.269 ? 89  B 1 .
ATOM 1761 N NH1  . ARG Bxp B 22 ? 53.746 5.826   40.775 1   143.094 ? 89  B 1 .
ATOM 1762 N NH2  . ARG Bxp B 22 ? 53.362 6.205   38.57  1   134.873 ? 89  B 1 .
ATOM 1763 H H    . ARG Bxp B 22 ? 53.801 12.347  42.314 1   96.124  ? 89  B 1 c
ATOM 1764 H HA   . ARG Bxp B 22 ? 52.106 10.14   42.1   1   89.005  ? 89  B 1 c
ATOM 1765 H HB3  . ARG Bxp B 22 ? 53.7   8.61    42.49  1   96.668  ? 89  B 1 c
ATOM 1766 H HB2  . ARG Bxp B 22 ? 54.633 9.633   43.245 1   96.179  ? 89  B 1 c
ATOM 1767 H HG3  . ARG Bxp B 22 ? 55.753 10.176  41.425 1   113.977 ? 89  B 1 c
ATOM 1768 H HG2  . ARG Bxp B 22 ? 54.505 9.957   40.468 1   113.871 ? 89  B 1 c
ATOM 1769 H HD3  . ARG Bxp B 22 ? 55.502 7.587   41.595 1   134.018 ? 89  B 1 c
ATOM 1770 H HD2  . ARG Bxp B 22 ? 56.489 8.283   40.575 1   134.455 ? 89  B 1 c
ATOM 1771 H HE   . ARG Bxp B 22 ? 54.924 7.982   38.926 1   145.205 ? 89  B 1 c
ATOM 1772 H HH11 . ARG Bxp B 22 ? 54.318 5.195   41.014 1   142.53  ? 89  B 1 c
ATOM 1773 H HH12 . ARG Bxp B 22 ? 53.022 5.98    41.257 1   142.53  ? 89  B 1 c
ATOM 1774 H HH21 . ARG Bxp B 22 ? 53.679 6.478   37.792 1   136.952 ? 89  B 1 c
ATOM 1775 H HH22 . ARG Bxp B 22 ? 52.637 5.703   38.602 1   136.712 ? 89  B 1 c
ATOM 1776 N N    . MET Bxp B 23 ? 51.544 10.338  44.563 1   83.707  ? 90  B 1 .
ATOM 1777 C CA   . MET Bxp B 23 ? 51.372 10.613  45.978 1   94.712  ? 90  B 1 .
ATOM 1778 C C    . MET Bxp B 23 ? 50.666 9.457   46.679 1   99.298  ? 90  B 1 .
ATOM 1779 O O    . MET Bxp B 23 ? 49.712 8.892   46.16  1   94.446  ? 90  B 1 .
ATOM 1780 C CB   . MET Bxp B 23 ? 50.693 11.971  46.218 1   97.27   ? 90  B 1 .
ATOM 1781 C CG   . MET Bxp B 23 ? 49.487 12.284  45.351 1   98.729  ? 90  B 1 .
ATOM 1782 S SD   . MET Bxp B 23 ? 48.865 13.98   45.495 1   97.118  ? 90  B 1 .
ATOM 1783 C CE   . MET Bxp B 23 ? 48.306 13.967  47.201 1   96.429  ? 90  B 1 .
ATOM 1784 H H    . MET Bxp B 23 ? 50.917 9.859   44.101 1   85.634  ? 90  B 1 c
ATOM 1785 H HA   . MET Bxp B 23 ? 52.28  10.661  46.371 1   93.835  ? 90  B 1 c
ATOM 1786 H HB3  . MET Bxp B 23 ? 51.363 12.673  46.08  1   97.216  ? 90  B 1 c
ATOM 1787 H HB2  . MET Bxp B 23 ? 50.418 12.012  47.159 1   97.063  ? 90  B 1 c
ATOM 1788 H HG3  . MET Bxp B 23 ? 48.762 11.67   45.584 1   98.04   ? 90  B 1 c
ATOM 1789 H HG2  . MET Bxp B 23 ? 49.72  12.122  44.419 1   97.918  ? 90  B 1 c
ATOM 1790 H HE3  . MET Bxp B 23 ? 49.044 14.215  47.785 1   97.458  ? 90  B 1 c
ATOM 1791 H HE2  . MET Bxp B 23 ? 48.003 13.071  47.432 1   96.77   ? 90  B 1 c
ATOM 1792 H HE1  . MET Bxp B 23 ? 47.575 14.602  47.312 1   96.946  ? 90  B 1 c
ATOM 1793 N N    . THR Bxp B 24 ? 51.205 9.112   47.855 1   101.131 ? 91  B 1 .
ATOM 1794 C CA   . THR Bxp B 24 ? 50.671 8.082   48.729 1   96.09   ? 91  B 1 .
ATOM 1795 C C    . THR Bxp B 24 ? 49.156 8.263   48.82  1   97.884  ? 91  B 1 .
ATOM 1796 O O    . THR Bxp B 24 ? 48.67  9.389   48.914 1   91.157  ? 91  B 1 .
ATOM 1797 C CB   . THR Bxp B 24 ? 51.328 8.162   50.111 1   111.343 ? 91  B 1 .
ATOM 1798 O OG1  . THR Bxp B 24 ? 50.392 8.675   51.059 1   116.405 ? 91  B 1 .
ATOM 1799 C CG2  . THR Bxp B 24 ? 52.594 9.005   50.152 1   118.397 ? 91  B 1 .
ATOM 1800 H H    . THR Bxp B 24 ? 51.961 9.551   48.115 1   99.981  ? 91  B 1 c
ATOM 1801 H HA   . THR Bxp B 24 ? 50.867 7.206   48.335 1   100.296 ? 91  B 1 c
ATOM 1802 H HB   . THR Bxp B 24 ? 51.577 7.247   50.384 1   110.577 ? 91  B 1 c
ATOM 1803 H HG1  . THR Bxp B 24 ? 50.154 9.474   50.884 0   105     ? 91  B 1 c
ATOM 1804 H HG21 . THR Bxp B 24 ? 53.025 8.894   51.016 1   116.159 ? 91  B 1 c
ATOM 1805 H HG22 . THR Bxp B 24 ? 52.369 9.942   50.026 1   116.01  ? 91  B 1 c
ATOM 1806 H HG23 . THR Bxp B 24 ? 53.203 8.717   49.452 1   115.965 ? 91  B 1 c
ATOM 1807 N N    . LEU Bxp B 25 ? 48.416 7.147   48.788 1   107.291 ? 92  B 1 .
ATOM 1808 C CA   . LEU Bxp B 25 ? 46.962 7.189   48.837 1   106.78  ? 92  B 1 .
ATOM 1809 C C    . LEU Bxp B 25 ? 46.52  8.011   50.044 1   105.343 ? 92  B 1 .
ATOM 1810 O O    . LEU Bxp B 25 ? 45.535 8.749   49.986 1   90.478  ? 92  B 1 .
ATOM 1811 C CB   . LEU Bxp B 25 ? 46.337 5.799   48.892 1   110.28  ? 92  B 1 .
ATOM 1812 C CG   . LEU Bxp B 25 ? 44.862 5.783   49.315 1   112.759 ? 92  B 1 .
ATOM 1813 C CD1  . LEU Bxp B 25 ? 43.957 6.296   48.2   1   114.914 ? 92  B 1 .
ATOM 1814 C CD2  . LEU Bxp B 25 ? 44.421 4.417   49.781 1   116.157 ? 92  B 1 .
ATOM 1815 H H    . LEU Bxp B 25 ? 48.83  6.335   48.736 1   104.83  ? 92  B 1 c
ATOM 1816 H HA   . LEU Bxp B 25 ? 46.647 7.641   48.02  1   106.991 ? 92  B 1 c
ATOM 1817 H HB3  . LEU Bxp B 25 ? 46.852 5.253   49.53  1   110.204 ? 92  B 1 c
ATOM 1818 H HB2  . LEU Bxp B 25 ? 46.413 5.389   48     1   110.084 ? 92  B 1 c
ATOM 1819 H HG   . LEU Bxp B 25 ? 44.759 6.394   50.085 1   113     ? 92  B 1 c
ATOM 1820 H HD11 . LEU Bxp B 25 ? 44.035 7.263   48.138 1   114.252 ? 92  B 1 c
ATOM 1821 H HD12 . LEU Bxp B 25 ? 43.034 6.059   48.394 1   114.201 ? 92  B 1 c
ATOM 1822 H HD13 . LEU Bxp B 25 ? 44.222 5.896   47.355 1   114.23  ? 92  B 1 c
ATOM 1823 H HD21 . LEU Bxp B 25 ? 44.989 4.125   50.514 1   115.101 ? 92  B 1 c
ATOM 1824 H HD22 . LEU Bxp B 25 ? 44.491 3.785   49.047 1   115.127 ? 92  B 1 c
ATOM 1825 H HD23 . LEU Bxp B 25 ? 43.498 4.459   50.085 1   115.122 ? 92  B 1 c
ATOM 1826 N N    . LYS Bxp B 26 ? 47.249 7.854   51.15  1   109.872 ? 93  B 1 .
ATOM 1827 C CA   . LYS Bxp B 26 ? 46.99  8.648   52.337 1   117.724 ? 93  B 1 .
ATOM 1828 C C    . LYS Bxp B 26 ? 46.869 10.112  51.92  1   112.975 ? 93  B 1 .
ATOM 1829 O O    . LYS Bxp B 26 ? 45.833 10.743  52.149 1   96.809  ? 93  B 1 .
ATOM 1830 C CB   . LYS Bxp B 26 ? 48.098 8.365   53.361 1   122.83  ? 93  B 1 .
ATOM 1831 C CG   . LYS Bxp B 26 ? 47.872 8.931   54.758 1   135.19  ? 93  B 1 .
ATOM 1832 C CD   . LYS Bxp B 26 ? 48.432 10.337  54.96  1   146.9   ? 93  B 1 .
ATOM 1833 C CE   . LYS Bxp B 26 ? 48.285 10.858  56.347 1   146.623 ? 93  B 1 .
ATOM 1834 N NZ   . LYS Bxp B 26 ? 49     10.011  57.301 1   170.265 ? 93  B 1 .
ATOM 1835 H H    . LYS Bxp B 26 ? 47.913 7.227   51.172 1   110.55  ? 93  B 1 c
ATOM 1836 H HA   . LYS Bxp B 26 ? 46.124 8.358   52.721 1   116.166 ? 93  B 1 c
ATOM 1837 H HB3  . LYS Bxp B 26 ? 48.94  8.729   53.016 1   124.522 ? 93  B 1 c
ATOM 1838 H HB2  . LYS Bxp B 26 ? 48.206 7.393   53.439 1   124.285 ? 93  B 1 c
ATOM 1839 H HG3  . LYS Bxp B 26 ? 48.288 8.325   55.409 1   135.108 ? 93  B 1 c
ATOM 1840 H HG2  . LYS Bxp B 26 ? 46.906 8.944   54.936 1   134.842 ? 93  B 1 c
ATOM 1841 H HD3  . LYS Bxp B 26 ? 47.977 10.948  54.343 1   144.021 ? 93  B 1 c
ATOM 1842 H HD2  . LYS Bxp B 26 ? 49.384 10.332  54.722 1   144.066 ? 93  B 1 c
ATOM 1843 H HE3  . LYS Bxp B 26 ? 47.342 10.885  56.589 1   152.14  ? 93  B 1 c
ATOM 1844 H HE2  . LYS Bxp B 26 ? 48.64  11.763  56.396 1   152.002 ? 93  B 1 c
ATOM 1845 H HZ1  . LYS Bxp B 26 ? 49.768 9.702   56.934 1   162.285 ? 93  B 1 c
ATOM 1846 H HZ2  . LYS Bxp B 26 ? 48.479 9.308   57.538 1   162.204 ? 93  B 1 c
ATOM 1847 H HZ3  . LYS Bxp B 26 ? 49.2   10.492  58.042 1   162.467 ? 93  B 1 c
ATOM 1848 N N    . ARG Bxp B 27 ? 47.933 10.602  51.262 1   112.165 ? 94  B 1 .
ATOM 1849 C CA   . ARG Bxp B 27 ? 48.117 12.008  50.944 1   101.991 ? 94  B 1 .
ATOM 1850 C C    . ARG Bxp B 27 ? 46.976 12.513  50.076 1   94.233  ? 94  B 1 .
ATOM 1851 O O    . ARG Bxp B 27 ? 46.402 13.556  50.364 1   106.024 ? 94  B 1 .
ATOM 1852 C CB   . ARG Bxp B 27 ? 49.46  12.246  50.25  1   108.753 ? 94  B 1 .
ATOM 1853 C CG   . ARG Bxp B 27 ? 50.641 12.356  51.207 1   127.818 ? 94  B 1 .
ATOM 1854 C CD   . ARG Bxp B 27 ? 51.682 13.339  50.699 1   137.278 ? 94  B 1 .
ATOM 1855 N NE   . ARG Bxp B 27 ? 51.032 14.58   50.253 1   140.179 ? 94  B 1 .
ATOM 1856 C CZ   . ARG Bxp B 27 ? 51.17  15.133  49.046 1   142.215 ? 94  B 1 .
ATOM 1857 N NH1  . ARG Bxp B 27 ? 52.158 14.723  48.266 1   126.1   ? 94  B 1 .
ATOM 1858 N NH2  . ARG Bxp B 27 ? 50.349 16.105  48.639 1   141.454 ? 94  B 1 .
ATOM 1859 H H    . ARG Bxp B 27 ? 48.587 10.017  51.006 1   109.942 ? 94  B 1 c
ATOM 1860 H HA   . ARG Bxp B 27 ? 48.108 12.517  51.794 1   103.75  ? 94  B 1 c
ATOM 1861 H HB3  . ARG Bxp B 27 ? 49.397 13.07   49.725 1   111.34  ? 94  B 1 c
ATOM 1862 H HB2  . ARG Bxp B 27 ? 49.63  11.51   49.626 1   111.105 ? 94  B 1 c
ATOM 1863 H HG3  . ARG Bxp B 27 ? 51.057 11.474  51.313 1   125.116 ? 94  B 1 c
ATOM 1864 H HG2  . ARG Bxp B 27 ? 50.323 12.653  52.087 1   124.917 ? 94  B 1 c
ATOM 1865 H HD3  . ARG Bxp B 27 ? 52.18  12.94   49.957 1   135.697 ? 94  B 1 c
ATOM 1866 H HD2  . ARG Bxp B 27 ? 52.31  13.543  51.419 1   135.739 ? 94  B 1 c
ATOM 1867 H HE   . ARG Bxp B 27 ? 50.514 14.989  50.822 1   140.003 ? 94  B 1 c
ATOM 1868 H HH11 . ARG Bxp B 27 ? 52.987 14.72   48.571 1   130.852 ? 94  B 1 c
ATOM 1869 H HH12 . ARG Bxp B 27 ? 51.983 14.458  47.442 1   130.544 ? 94  B 1 c
ATOM 1870 H HH21 . ARG Bxp B 27 ? 49.904 16.584  49.234 1   141.545 ? 94  B 1 c
ATOM 1871 H HH22 . ARG Bxp B 27 ? 50.255 16.266  47.775 1   141.135 ? 94  B 1 c
ATOM 1872 N N    . VAL Bxp B 28 ? 46.649 11.749  49.033 1   91.057  ? 95  B 1 .
ATOM 1873 C CA   . VAL Bxp B 28 ? 45.591 12.112  48.095 1   96.07   ? 95  B 1 .
ATOM 1874 C C    . VAL Bxp B 28 ? 44.203 11.989  48.732 1   93.282  ? 95  B 1 .
ATOM 1875 O O    . VAL Bxp B 28 ? 43.183 12.292  48.111 1   75.223  ? 95  B 1 .
ATOM 1876 C CB   . VAL Bxp B 28 ? 45.697 11.295  46.789 1   91.733  ? 95  B 1 .
ATOM 1877 C CG1  . VAL Bxp B 28 ? 46.358 9.953   47.009 1   96.804  ? 95  B 1 .
ATOM 1878 C CG2  . VAL Bxp B 28 ? 44.355 11.1    46.087 1   90.728  ? 95  B 1 .
ATOM 1879 H H    . VAL Bxp B 28 ? 47.11  10.972  48.9   1   93.157  ? 95  B 1 c
ATOM 1880 H HA   . VAL Bxp B 28 ? 45.721 13.051  47.861 1   93.851  ? 95  B 1 c
ATOM 1881 H HB   . VAL Bxp B 28 ? 46.274 11.809  46.177 1   93.271  ? 95  B 1 c
ATOM 1882 H HG11 . VAL Bxp B 28 ? 46.041 9.571   47.839 1   95.364  ? 95  B 1 c
ATOM 1883 H HG12 . VAL Bxp B 28 ? 47.322 10.065  47.044 1   95.215  ? 95  B 1 c
ATOM 1884 H HG13 . VAL Bxp B 28 ? 46.132 9.357   46.275 1   95.214  ? 95  B 1 c
ATOM 1885 H HG21 . VAL Bxp B 28 ? 44.506 10.709  45.21  1   90.998  ? 95  B 1 c
ATOM 1886 H HG22 . VAL Bxp B 28 ? 43.912 11.958  45.982 1   90.886  ? 95  B 1 c
ATOM 1887 H HG23 . VAL Bxp B 28 ? 43.795 10.502  46.61  1   90.898  ? 95  B 1 c
ATOM 1888 N N    . LEU Bxp B 29 ? 44.137 11.542  49.982 1   105.818 ? 96  B 1 .
ATOM 1889 C CA   . LEU Bxp B 29 ? 42.84  11.425  50.617 1   114.896 ? 96  B 1 .
ATOM 1890 C C    . LEU Bxp B 29 ? 42.596 12.608  51.531 1   115.627 ? 96  B 1 .
ATOM 1891 O O    . LEU Bxp B 29 ? 41.489 12.754  52.048 1   117.731 ? 96  B 1 .
ATOM 1892 C CB   . LEU Bxp B 29 ? 42.708 10.092  51.342 1   108.947 ? 96  B 1 .
ATOM 1893 C CG   . LEU Bxp B 29 ? 41.998 9.032   50.502 1   106.465 ? 96  B 1 .
ATOM 1894 C CD1  . LEU Bxp B 29 ? 42.369 7.661   50.99  1   101.178 ? 96  B 1 .
ATOM 1895 C CD2  . LEU Bxp B 29 ? 40.49  9.26    50.513 1   97.335  ? 96  B 1 .
ATOM 1896 H H    . LEU Bxp B 29 ? 44.886 11.28   50.433 1   104.532 ? 96  B 1 c
ATOM 1897 H HA   . LEU Bxp B 29 ? 42.152 11.459  49.906 1   111.445 ? 96  B 1 c
ATOM 1898 H HB3  . LEU Bxp B 29 ? 42.198 10.233  52.172 1   109.638 ? 96  B 1 c
ATOM 1899 H HB2  . LEU Bxp B 29 ? 43.609 9.767   51.57  1   109.358 ? 96  B 1 c
ATOM 1900 H HG   . LEU Bxp B 29 ? 42.313 9.118   49.566 1   104.25  ? 96  B 1 c
ATOM 1901 H HD11 . LEU Bxp B 29 ? 43.326 7.619   51.149 1   102.923 ? 96  B 1 c
ATOM 1902 H HD12 . LEU Bxp B 29 ? 42.123 7       50.321 1   102.897 ? 96  B 1 c
ATOM 1903 H HD13 . LEU Bxp B 29 ? 41.896 7.472   51.818 1   102.799 ? 96  B 1 c
ATOM 1904 H HD21 . LEU Bxp B 29 ? 40.29  10.143  50.159 1   100.115 ? 96  B 1 c
ATOM 1905 H HD22 . LEU Bxp B 29 ? 40.157 9.195   51.424 1   100.007 ? 96  B 1 c
ATOM 1906 H HD23 . LEU Bxp B 29 ? 40.055 8.587   49.963 1   100.117 ? 96  B 1 c
ATOM 1907 N N    . GLU Bxp B 30 ? 43.622 13.452  51.666 1   113.432 ? 97  B 1 .
ATOM 1908 C CA   . GLU Bxp B 30 ? 43.537 14.613  52.526 1   127.159 ? 97  B 1 .
ATOM 1909 C C    . GLU Bxp B 30 ? 43.47  15.894  51.706 1   128.606 ? 97  B 1 .
ATOM 1910 O O    . GLU Bxp B 30 ? 43.102 16.923  52.262 1   118.451 ? 97  B 1 .
ATOM 1911 C CB   . GLU Bxp B 30 ? 44.72  14.588  53.483 1   132.55  ? 97  B 1 .
ATOM 1912 C CG   . GLU Bxp B 30 ? 44.407 13.792  54.743 1   153.683 ? 97  B 1 .
ATOM 1913 C CD   . GLU Bxp B 30 ? 45.62  13.19   55.428 1   174.86  ? 97  B 1 .
ATOM 1914 O OE1  . GLU Bxp B 30 ? 46.654 13.009  54.745 1   160.242 ? 97  B 1 .
ATOM 1915 O OE2  . GLU Bxp B 30 ? 45.532 12.903  56.643 1   190.353 ? 97  B 1 .
ATOM 1916 H H    . GLU Bxp B 30 ? 44.405 13.29   51.226 1   116.621 ? 97  B 1 c
ATOM 1917 H HA   . GLU Bxp B 30 ? 42.706 14.547  53.061 1   125.763 ? 97  B 1 c
ATOM 1918 H HB3  . GLU Bxp B 30 ? 44.948 15.508  53.732 1   135.757 ? 97  B 1 c
ATOM 1919 H HB2  . GLU Bxp B 30 ? 45.494 14.202  53.022 1   135.785 ? 97  B 1 c
ATOM 1920 H HG3  . GLU Bxp B 30 ? 43.788 13.065  54.516 1   152.714 ? 97  B 1 c
ATOM 1921 H HG2  . GLU Bxp B 30 ? 43.949 14.378  55.383 1   153.002 ? 97  B 1 c
ATOM 1922 N N    . MET Bxp B 31 ? 43.836 15.828  50.416 1   117.34  ? 98  B 1 .
ATOM 1923 C CA   . MET Bxp B 31 ? 43.77  16.993  49.55  1   115.834 ? 98  B 1 .
ATOM 1924 C C    . MET Bxp B 31 ? 42.423 17.686  49.763 1   114.515 ? 98  B 1 .
ATOM 1925 O O    . MET Bxp B 31 ? 41.399 17.014  49.747 1   117.55  ? 98  B 1 .
ATOM 1926 C CB   . MET Bxp B 31 ? 43.92  16.59   48.076 1   116.28  ? 98  B 1 .
ATOM 1927 C CG   . MET Bxp B 31 ? 45.349 16.598  47.539 1   117.28  ? 98  B 1 .
ATOM 1928 S SD   . MET Bxp B 31 ? 45.551 15.796  45.925 1   129.517 ? 98  B 1 .
ATOM 1929 C CE   . MET Bxp B 31 ? 43.974 16.073  45.107 1   123.752 ? 98  B 1 .
ATOM 1930 H H    . MET Bxp B 31 ? 44.144 15.041  50.071 1   119.505 ? 98  B 1 c
ATOM 1931 H HA   . MET Bxp B 31 ? 44.499 17.615  49.802 1   115.969 ? 98  B 1 c
ATOM 1932 H HB3  . MET Bxp B 31 ? 43.38  17.203  47.534 1   116.488 ? 98  B 1 c
ATOM 1933 H HB2  . MET Bxp B 31 ? 43.547 15.69   47.962 1   116.448 ? 98  B 1 c
ATOM 1934 H HG3  . MET Bxp B 31 ? 45.933 16.147  48.182 1   119.264 ? 98  B 1 c
ATOM 1935 H HG2  . MET Bxp B 31 ? 45.654 17.524  47.463 1   119.264 ? 98  B 1 c
ATOM 1936 H HE3  . MET Bxp B 31 ? 43.705 17.002  45.226 1   124.806 ? 98  B 1 c
ATOM 1937 H HE2  . MET Bxp B 31 ? 43.3   15.485  45.495 1   124.936 ? 98  B 1 c
ATOM 1938 H HE1  . MET Bxp B 31 ? 44.065 15.88   44.156 1   125.048 ? 98  B 1 c
ATOM 1939 N N    . ILE Bxp B 32 ? 42.43  19.015  49.976 1   116.929 ? 99  B 1 .
ATOM 1940 C CA   . ILE Bxp B 32 ? 41.208 19.809  50.088 1   116.489 ? 99  B 1 .
ATOM 1941 C C    . ILE Bxp B 32 ? 41.187 20.915  49.037 1   112.607 ? 99  B 1 .
ATOM 1942 O O    . ILE Bxp B 32 ? 42.222 21.25   48.456 1   105.557 ? 99  B 1 .
ATOM 1943 C CB   . ILE Bxp B 32 ? 41.048 20.442  51.481 1   122.749 ? 99  B 1 .
ATOM 1944 C CG1  . ILE Bxp B 32 ? 42.417 20.746  52.128 1   125.25  ? 99  B 1 .
ATOM 1945 C CG2  . ILE Bxp B 32 ? 40.147 19.569  52.356 1   139.507 ? 99  B 1 .
ATOM 1946 C CD1  . ILE Bxp B 32 ? 42.359 21.635  53.359 1   141.066 ? 99  B 1 .
ATOM 1947 H H    . ILE Bxp B 32 ? 43.234 19.444  50.034 1   116.391 ? 99  B 1 c
ATOM 1948 H HA   . ILE Bxp B 32 ? 40.443 19.223  49.929 1   117.061 ? 99  B 1 c
ATOM 1949 H HB   . ILE Bxp B 32 ? 40.592 21.299  51.362 1   124.734 ? 99  B 1 c
ATOM 1950 H HG12 . ILE Bxp B 32 ? 42.987 21.179  51.461 1   127.74  ? 99  B 1 c
ATOM 1951 H HG13 . ILE Bxp B 32 ? 42.84  19.899  52.377 1   128.005 ? 99  B 1 c
ATOM 1952 H HG21 . ILE Bxp B 32 ? 40.076 19.959  53.243 1   134.376 ? 99  B 1 c
ATOM 1953 H HG22 . ILE Bxp B 32 ? 40.526 18.677  52.426 1   134.342 ? 99  B 1 c
ATOM 1954 H HG23 . ILE Bxp B 32 ? 39.262 19.512  51.958 1   134.244 ? 99  B 1 c
ATOM 1955 H HD11 . ILE Bxp B 32 ? 41.8   22.414  53.174 1   136.202 ? 99  B 1 c
ATOM 1956 H HD12 . ILE Bxp B 32 ? 43.259 21.931  53.591 1   136.202 ? 99  B 1 c
ATOM 1957 H HD13 . ILE Bxp B 32 ? 41.979 21.135  54.106 1   136.192 ? 99  B 1 c
ATOM 1958 N N    . HIS Bxp B 33 ? 39.995 21.5    48.83  1   96.033  ? 100 B 1 .
ATOM 1959 C CA   . HIS Bxp B 33 ? 39.921 22.82   48.24  1   98.042  ? 100 B 1 .
ATOM 1960 C C    . HIS Bxp B 33 ? 41.152 23.592  48.716 1   98.545  ? 100 B 1 .
ATOM 1961 O O    . HIS Bxp B 33 ? 41.371 23.734  49.911 1   106.822 ? 100 B 1 .
ATOM 1962 C CB   . HIS Bxp B 33 ? 38.64  23.536  48.679 1   117.381 ? 100 B 1 .
ATOM 1963 C CG   . HIS Bxp B 33 ? 37.475 23.443  47.741 1   168.582 ? 100 B 1 .
ATOM 1964 N ND1  . HIS Bxp B 33 ? 36.524 24.445  47.675 1   197.787 ? 100 B 1 .
ATOM 1965 C CD2  . HIS Bxp B 33 ? 37.078 22.513  46.855 1   194.637 ? 100 B 1 .
ATOM 1966 C CE1  . HIS Bxp B 33 ? 35.591 24.127  46.782 1   177.455 ? 100 B 1 .
ATOM 1967 N NE2  . HIS Bxp B 33 ? 35.907 22.956  46.271 1   193.738 ? 100 B 1 .
ATOM 1968 H H    . HIS Bxp B 33 ? 39.224 21.065  49.056 1   100.696 ? 100 B 1 c
ATOM 1969 H HA   . HIS Bxp B 33 ? 39.951 22.741  47.255 1   101.152 ? 100 B 1 c
ATOM 1970 H HB3  . HIS Bxp B 33 ? 38.85  24.485  48.821 1   122.461 ? 100 B 1 c
ATOM 1971 H HB2  . HIS Bxp B 33 ? 38.368 23.177  49.551 1   122.305 ? 100 B 1 c
ATOM 1972 H HD1  . HIS Bxp B 33 ? 36.585 25.175  47.961 0   126.42  ? 100 B 1 c
ATOM 1973 H HD2  . HIS Bxp B 33 ? 37.514 21.706  46.667 1   186.677 ? 100 B 1 c
ATOM 1974 H HE1  . HIS Bxp B 33 ? 34.841 24.648  46.554 1   185.492 ? 100 B 1 c
ATOM 1975 H HE2  . HIS Bxp B 33 ? 35.405 22.263  45.801 0   128.02  ? 100 B 1 c
ATOM 1976 N N    . GLY Bxp B 34 ? 42.009 24.03   47.794 1   94.682  ? 101 B 1 .
ATOM 1977 C CA   . GLY Bxp B 34 ? 43.028 25.013  48.124 1   88.875  ? 101 B 1 .
ATOM 1978 C C    . GLY Bxp B 34 ? 44.425 24.419  48.266 1   87.16   ? 101 B 1 .
ATOM 1979 O O    . GLY Bxp B 34 ? 45.378 25.173  48.45  1   80.339  ? 101 B 1 .
ATOM 1980 H H    . GLY Bxp B 34 ? 41.962 23.708  46.94  1   94.318  ? 101 B 1 c
ATOM 1981 H HA3  . GLY Bxp B 34 ? 42.781 25.462  48.966 1   89.979  ? 101 B 1 c
ATOM 1982 H HA2  . GLY Bxp B 34 ? 43.042 25.7    47.416 1   89.865  ? 101 B 1 c
ATOM 1983 N N    . SER Bxp B 35 ? 44.545 23.089  48.157 1   86.95   ? 102 B 1 .
ATOM 1984 C CA   . SER Bxp B 35 ? 45.827 22.402  48.264 1   88.325  ? 102 B 1 .
ATOM 1985 C C    . SER Bxp B 35 ? 46.693 22.671  47.036 1   82.069  ? 102 B 1 .
ATOM 1986 O O    . SER Bxp B 35 ? 46.175 22.859  45.937 1   85.516  ? 102 B 1 .
ATOM 1987 C CB   . SER Bxp B 35 ? 45.609 20.923  48.439 1   92.062  ? 102 B 1 .
ATOM 1988 O OG   . SER Bxp B 35 ? 44.734 20.661  49.527 1   88.716  ? 102 B 1 .
ATOM 1989 H H    . SER Bxp B 35 ? 43.796 22.588  48.009 1   87.46   ? 102 B 1 c
ATOM 1990 H HA   . SER Bxp B 35 ? 46.3   22.748  49.063 1   87.454  ? 102 B 1 c
ATOM 1991 H HB3  . SER Bxp B 35 ? 46.467 20.486  48.599 1   90.404  ? 102 B 1 c
ATOM 1992 H HB2  . SER Bxp B 35 ? 45.228 20.553  47.62  1   90.42   ? 102 B 1 c
ATOM 1993 H HG   . SER Bxp B 35 ? 44.763 19.851  49.73  0   104.55  ? 102 B 1 c
ATOM 1994 N N    . ILE Bxp B 36 ? 48.015 22.689  47.201 1   72.943  ? 103 B 1 .
ATOM 1995 C CA   . ILE Bxp B 36 ? 48.842 23.046  46.06  1   87.518  ? 103 B 1 .
ATOM 1996 C C    . ILE Bxp B 36 ? 49.722 21.85   45.77  1   87.1    ? 103 B 1 .
ATOM 1997 O O    . ILE Bxp B 36 ? 50.562 21.489  46.575 1   93.179  ? 103 B 1 .
ATOM 1998 C CB   . ILE Bxp B 36 ? 49.674 24.335  46.248 1   97.675  ? 103 B 1 .
ATOM 1999 C CG1  . ILE Bxp B 36 ? 48.796 25.574  46.435 1   110.649 ? 103 B 1 .
ATOM 2000 C CG2  . ILE Bxp B 36 ? 50.639 24.543  45.083 1   86.895  ? 103 B 1 .
ATOM 2001 C CD1  . ILE Bxp B 36 ? 48.318 25.813  47.86  1   123.802 ? 103 B 1 .
ATOM 2002 H H    . ILE Bxp B 36 ? 48.4   22.484  48.004 1   78.269  ? 103 B 1 c
ATOM 2003 H HA   . ILE Bxp B 36 ? 48.257 23.186  45.296 1   86.25   ? 103 B 1 c
ATOM 2004 H HB   . ILE Bxp B 36 ? 50.207 24.227  47.061 1   95.995  ? 103 B 1 c
ATOM 2005 H HG12 . ILE Bxp B 36 ? 48.014 25.487  45.854 1   109.999 ? 103 B 1 c
ATOM 2006 H HG13 . ILE Bxp B 36 ? 49.297 26.361  46.14  1   109.974 ? 103 B 1 c
ATOM 2007 H HG21 . ILE Bxp B 36 ? 50.924 25.472  45.053 1   90.185  ? 103 B 1 c
ATOM 2008 H HG22 . ILE Bxp B 36 ? 50.195 24.316  44.248 1   89.965  ? 103 B 1 c
ATOM 2009 H HG23 . ILE Bxp B 36 ? 51.418 23.973  45.198 1   89.974  ? 103 B 1 c
ATOM 2010 H HD11 . ILE Bxp B 36 ? 48     24.978  48.251 1   118.87  ? 103 B 1 c
ATOM 2011 H HD12 . ILE Bxp B 36 ? 47.592 26.465  47.853 1   119.298 ? 103 B 1 c
ATOM 2012 H HD13 . ILE Bxp B 36 ? 49.057 26.159  48.395 1   119.504 ? 103 B 1 c
ATOM 2013 N N    . ILE Bxp B 37 ? 49.498 21.253  44.608 1   92.627  ? 104 B 1 .
ATOM 2014 C CA   . ILE Bxp B 37 ? 50.203 20.055  44.204 1   90.243  ? 104 B 1 .
ATOM 2015 C C    . ILE Bxp B 37 ? 51.287 20.492  43.244 1   85.42   ? 104 B 1 .
ATOM 2016 O O    . ILE Bxp B 37 ? 50.994 21.19   42.282 1   87.756  ? 104 B 1 .
ATOM 2017 C CB   . ILE Bxp B 37 ? 49.21  19.068  43.568 1   93.893  ? 104 B 1 .
ATOM 2018 C CG1  . ILE Bxp B 37 ? 48.179 18.602  44.605 1   118.924 ? 104 B 1 .
ATOM 2019 C CG2  . ILE Bxp B 37 ? 49.923 17.907  42.877 1   91.813  ? 104 B 1 .
ATOM 2020 C CD1  . ILE Bxp B 37 ? 48.742 18.325  46     1   136.459 ? 104 B 1 .
ATOM 2021 H H    . ILE Bxp B 37 ? 48.88  21.607  44.036 1   90.72   ? 104 B 1 c
ATOM 2022 H HA   . ILE Bxp B 37 ? 50.614 19.642  44.986 1   91.022  ? 104 B 1 c
ATOM 2023 H HB   . ILE Bxp B 37 ? 48.721 19.555  42.883 1   96.758  ? 104 B 1 c
ATOM 2024 H HG12 . ILE Bxp B 37 ? 47.749 17.787  44.275 1   115.915 ? 104 B 1 c
ATOM 2025 H HG13 . ILE Bxp B 37 ? 47.488 19.29   44.683 1   116.074 ? 104 B 1 c
ATOM 2026 H HG21 . ILE Bxp B 37 ? 49.318 17.15   42.8   1   92.697  ? 104 B 1 c
ATOM 2027 H HG22 . ILE Bxp B 37 ? 50.701 17.645  43.398 1   92.435  ? 104 B 1 c
ATOM 2028 H HG23 . ILE Bxp B 37 ? 50.208 18.181  41.989 1   92.444  ? 104 B 1 c
ATOM 2029 H HD11 . ILE Bxp B 37 ? 49.596 17.859  45.925 1   130.272 ? 104 B 1 c
ATOM 2030 H HD12 . ILE Bxp B 37 ? 48.113 17.768  46.496 1   130.716 ? 104 B 1 c
ATOM 2031 H HD13 . ILE Bxp B 37 ? 48.873 19.166  46.479 1   130.098 ? 104 B 1 c
ATOM 2032 N N    . GLU Bxp B 38 ? 52.525 20.091  43.52  1   84.922  ? 105 B 1 .
ATOM 2033 C CA   . GLU Bxp B 38 ? 53.607 20.391  42.597 1   96.475  ? 105 B 1 .
ATOM 2034 C C    . GLU Bxp B 38 ? 53.869 19.151  41.762 1   85.605  ? 105 B 1 .
ATOM 2035 O O    . GLU Bxp B 38 ? 53.776 18.06   42.304 1   95.131  ? 105 B 1 .
ATOM 2036 C CB   . GLU Bxp B 38 ? 54.888 20.75   43.342 1   113.784 ? 105 B 1 .
ATOM 2037 C CG   . GLU Bxp B 38 ? 56.079 21.056  42.431 1   122.58  ? 105 B 1 .
ATOM 2038 C CD   . GLU Bxp B 38 ? 57.4   21.131  43.184 1   125.928 ? 105 B 1 .
ATOM 2039 O OE1  . GLU Bxp B 38 ? 57.854 20.084  43.691 1   140.439 ? 105 B 1 .
ATOM 2040 O OE2  . GLU Bxp B 38 ? 57.972 22.232  43.293 1   117.789 ? 105 B 1 .
ATOM 2041 H H    . GLU Bxp B 38 ? 52.705 19.628  44.287 1   87.562  ? 105 B 1 c
ATOM 2042 H HA   . GLU Bxp B 38 ? 53.338 21.139  42.005 1   94.63   ? 105 B 1 c
ATOM 2043 H HB3  . GLU Bxp B 38 ? 55.127 20.004  43.932 1   111.353 ? 105 B 1 c
ATOM 2044 H HB2  . GLU Bxp B 38 ? 54.714 21.532  43.906 1   111.421 ? 105 B 1 c
ATOM 2045 H HG3  . GLU Bxp B 38 ? 55.926 21.912  41.978 1   121.163 ? 105 B 1 c
ATOM 2046 H HG2  . GLU Bxp B 38 ? 56.153 20.361  41.745 1   120.786 ? 105 B 1 c
ATOM 2047 N N    . LEU Bxp B 39 ? 54.223 19.317  40.482 1   84.045  ? 106 B 1 .
ATOM 2048 C CA   . LEU Bxp B 39 ? 54.422 18.158  39.626 1   89.958  ? 106 B 1 .
ATOM 2049 C C    . LEU Bxp B 39 ? 55.701 18.262  38.806 1   84.082  ? 106 B 1 .
ATOM 2050 O O    . LEU Bxp B 39 ? 56.219 19.341  38.558 1   90.074  ? 106 B 1 .
ATOM 2051 C CB   . LEU Bxp B 39 ? 53.207 17.862  38.748 1   93.071  ? 106 B 1 .
ATOM 2052 C CG   . LEU Bxp B 39 ? 52.318 19.038  38.34  1   97.125  ? 106 B 1 .
ATOM 2053 C CD1  . LEU Bxp B 39 ? 52.854 19.755  37.132 1   103.989 ? 106 B 1 .
ATOM 2054 C CD2  . LEU Bxp B 39 ? 50.931 18.519  38.058 1   102.642 ? 106 B 1 .
ATOM 2055 H H    . LEU Bxp B 39 ? 54.344 20.156  40.139 1   85.935  ? 106 B 1 c
ATOM 2056 H HA   . LEU Bxp B 39 ? 54.549 17.381  40.226 1   88.376  ? 106 B 1 c
ATOM 2057 H HB3  . LEU Bxp B 39 ? 52.647 17.204  39.221 1   93.446  ? 106 B 1 c
ATOM 2058 H HB2  . LEU Bxp B 39 ? 53.525 17.422  37.928 1   93.311  ? 106 B 1 c
ATOM 2059 H HG   . LEU Bxp B 39 ? 52.268 19.678  39.095 1   98.441  ? 106 B 1 c
ATOM 2060 H HD11 . LEU Bxp B 39 ? 53.808 19.589  37.048 1   101.613 ? 106 B 1 c
ATOM 2061 H HD12 . LEU Bxp B 39 ? 52.699 20.708  37.23  1   101.562 ? 106 B 1 c
ATOM 2062 H HD13 . LEU Bxp B 39 ? 52.399 19.436  36.335 1   101.729 ? 106 B 1 c
ATOM 2063 H HD21 . LEU Bxp B 39 ? 50.522 18.217  38.886 1   100.909 ? 106 B 1 c
ATOM 2064 H HD22 . LEU Bxp B 39 ? 50.983 17.776  37.433 1   100.913 ? 106 B 1 c
ATOM 2065 H HD23 . LEU Bxp B 39 ? 50.391 19.229  37.672 1   100.963 ? 106 B 1 c
ATOM 2066 N N    . ASP Bxp B 40 ? 56.137 17.092  38.339 1   88.604  ? 107 B 1 .
ATOM 2067 C CA   . ASP Bxp B 40 ? 57.462 16.842  37.796 1   104.325 ? 107 B 1 .
ATOM 2068 C C    . ASP Bxp B 40 ? 57.936 17.952  36.857 1   117.527 ? 107 B 1 .
ATOM 2069 O O    . ASP Bxp B 40 ? 59.099 18.339  36.908 1   149.885 ? 107 B 1 .
ATOM 2070 C CB   . ASP Bxp B 40 ? 57.485 15.529  37.029 1   106.924 ? 107 B 1 .
ATOM 2071 C CG   . ASP Bxp B 40 ? 56.79  15.577  35.671 1   137.957 ? 107 B 1 .
ATOM 2072 O OD1  . ASP Bxp B 40 ? 57.36  16.175  34.731 1   165.938 ? 107 B 1 .
ATOM 2073 O OD2  . ASP Bxp B 40 ? 55.666 15.041  35.554 1   146.148 ? 107 B 1 .
ATOM 2074 H H    . ASP Bxp B 40 ? 55.555 16.388  38.364 1   91.097  ? 107 B 1 c
ATOM 2075 H HA   . ASP Bxp B 40 ? 58.095 16.772  38.546 1   103.743 ? 107 B 1 c
ATOM 2076 H HB3  . ASP Bxp B 40 ? 57.058 14.833  37.571 1   112.739 ? 107 B 1 c
ATOM 2077 H HB2  . ASP Bxp B 40 ? 58.418 15.267  36.885 1   112.733 ? 107 B 1 c
ATOM 2078 N N    . LYS Bxp B 41 ? 57.048 18.447  35.989 1   106.251 ? 108 B 1 .
ATOM 2079 C CA   . LYS Bxp B 41 ? 57.461 19.127  34.77  1   98.965  ? 108 B 1 .
ATOM 2080 C C    . LYS Bxp B 41 ? 58.103 20.488  35.046 1   97.387  ? 108 B 1 .
ATOM 2081 O O    . LYS Bxp B 41 ? 57.52  21.345  35.704 1   91.323  ? 108 B 1 .
ATOM 2082 C CB   . LYS Bxp B 41 ? 56.245 19.344  33.862 1   105.26  ? 108 B 1 .
ATOM 2083 C CG   . LYS Bxp B 41 ? 56.563 19.576  32.4   1   113.613 ? 108 B 1 .
ATOM 2084 C CD   . LYS Bxp B 41 ? 57.207 18.353  31.751 1   128.457 ? 108 B 1 .
ATOM 2085 C CE   . LYS Bxp B 41 ? 56.231 17.375  31.174 1   130.017 ? 108 B 1 .
ATOM 2086 N NZ   . LYS Bxp B 41 ? 55.772 17.864  29.877 1   126.299 ? 108 B 1 .
ATOM 2087 H H    . LYS Bxp B 41 ? 56.155 18.358  36.16  1   106.917 ? 108 B 1 c
ATOM 2088 H HA   . LYS Bxp B 41 ? 58.121 18.556  34.308 1   101.877 ? 108 B 1 c
ATOM 2089 H HB3  . LYS Bxp B 41 ? 55.737 20.115  34.193 1   105.523 ? 108 B 1 c
ATOM 2090 H HB2  . LYS Bxp B 41 ? 55.663 18.557  33.927 1   105.637 ? 108 B 1 c
ATOM 2091 H HG3  . LYS Bxp B 41 ? 57.173 20.341  32.325 1   114.78  ? 108 B 1 c
ATOM 2092 H HG2  . LYS Bxp B 41 ? 55.732 19.798  31.927 1   114.931 ? 108 B 1 c
ATOM 2093 H HD3  . LYS Bxp B 41 ? 57.761 17.889  32.413 1   124.803 ? 108 B 1 c
ATOM 2094 H HD2  . LYS Bxp B 41 ? 57.805 18.659  31.035 1   125.205 ? 108 B 1 c
ATOM 2095 H HE3  . LYS Bxp B 41 ? 55.467 17.275  31.771 1   128.773 ? 108 B 1 c
ATOM 2096 H HE2  . LYS Bxp B 41 ? 56.656 16.506  31.061 1   128.773 ? 108 B 1 c
ATOM 2097 H HZ1  . LYS Bxp B 41 ? 56.456 17.849  29.282 1   127.277 ? 108 B 1 c
ATOM 2098 H HZ2  . LYS Bxp B 41 ? 55.469 18.712  29.961 1   126.833 ? 108 B 1 c
ATOM 2099 H HZ3  . LYS Bxp B 41 ? 55.101 17.338  29.572 1   127.288 ? 108 B 1 c
ATOM 2100 N N    . LEU Bxp B 42 ? 59.291 20.702  34.466 1   105.88  ? 109 B 1 .
ATOM 2101 C CA   . LEU Bxp B 42 ? 59.965 21.995  34.506 1   108.08  ? 109 B 1 .
ATOM 2102 C C    . LEU Bxp B 42 ? 59.162 22.989  33.68  1   112.354 ? 109 B 1 .
ATOM 2103 O O    . LEU Bxp B 42 ? 58.382 22.605  32.818 1   125.06  ? 109 B 1 .
ATOM 2104 C CB   . LEU Bxp B 42 ? 61.404 21.914  33.997 1   110.932 ? 109 B 1 .
ATOM 2105 C CG   . LEU Bxp B 42 ? 62.506 21.698  35.044 1   128.795 ? 109 B 1 .
ATOM 2106 C CD1  . LEU Bxp B 42 ? 62.582 22.892  35.971 1   135.895 ? 109 B 1 .
ATOM 2107 C CD2  . LEU Bxp B 42 ? 62.384 20.43   35.883 1   139.071 ? 109 B 1 .
ATOM 2108 H H    . LEU Bxp B 42 ? 59.7   20.012  34.028 1   104.337 ? 109 B 1 c
ATOM 2109 H HA   . LEU Bxp B 42 ? 59.972 22.307  35.446 1   109.035 ? 109 B 1 c
ATOM 2110 H HB3  . LEU Bxp B 42 ? 61.603 22.747  33.511 1   114.206 ? 109 B 1 c
ATOM 2111 H HB2  . LEU Bxp B 42 ? 61.455 21.184  33.339 1   114.191 ? 109 B 1 c
ATOM 2112 H HG   . LEU Bxp B 42 ? 63.371 21.646  34.561 1   128.393 ? 109 B 1 c
ATOM 2113 H HD11 . LEU Bxp B 42 ? 62.477 23.711  35.457 1   133.364 ? 109 B 1 c
ATOM 2114 H HD12 . LEU Bxp B 42 ? 63.444 22.901  36.419 1   133.587 ? 109 B 1 c
ATOM 2115 H HD13 . LEU Bxp B 42 ? 61.874 22.833  36.634 1   133.293 ? 109 B 1 c
ATOM 2116 H HD21 . LEU Bxp B 42 ? 62.523 19.652  35.317 1   135.885 ? 109 B 1 c
ATOM 2117 H HD22 . LEU Bxp B 42 ? 61.498 20.386  36.28  1   135.638 ? 109 B 1 c
ATOM 2118 H HD23 . LEU Bxp B 42 ? 63.053 20.44   36.588 1   135.885 ? 109 B 1 c
ATOM 2119 N N    . THR Bxp B 43 ? 59.352 24.28   33.945 1   115.493 ? 110 B 1 .
ATOM 2120 C CA   . THR Bxp B 43 ? 58.472 25.271  33.353 1   119.949 ? 110 B 1 .
ATOM 2121 C C    . THR Bxp B 43 ? 58.812 25.452  31.875 1   124.126 ? 110 B 1 .
ATOM 2122 O O    . THR Bxp B 43 ? 57.913 25.627  31.057 1   136.28  ? 110 B 1 .
ATOM 2123 C CB   . THR Bxp B 43 ? 58.548 26.589  34.112 1   125.526 ? 110 B 1 .
ATOM 2124 O OG1  . THR Bxp B 43 ? 58.276 26.249  35.468 1   128.668 ? 110 B 1 .
ATOM 2125 C CG2  . THR Bxp B 43 ? 57.526 27.583  33.588 1   131.227 ? 110 B 1 .
ATOM 2126 H H    . THR Bxp B 43 ? 60.03  24.548  34.496 1   115.724 ? 110 B 1 c
ATOM 2127 H HA   . THR Bxp B 43 ? 57.55  24.936  33.418 1   120.857 ? 110 B 1 c
ATOM 2128 H HB   . THR Bxp B 43 ? 59.455 26.971  34.04  1   126.119 ? 110 B 1 c
ATOM 2129 H HG1  . THR Bxp B 43 ? 57.622 26.206  35.518 0   112.06  ? 110 B 1 c
ATOM 2130 H HG21 . THR Bxp B 43 ? 57.317 28.229  34.283 1   129.439 ? 110 B 1 c
ATOM 2131 H HG22 . THR Bxp B 43 ? 56.715 27.112  33.331 1   129.22  ? 110 B 1 c
ATOM 2132 H HG23 . THR Bxp B 43 ? 57.89  28.046  32.815 1   129.421 ? 110 B 1 c
ATOM 2133 N N    . GLY Bxp B 44 ? 60.104 25.378  31.536 1   108.379 ? 111 B 1 .
ATOM 2134 C CA   . GLY Bxp B 44 ? 60.552 25.556  30.16  1   103.01  ? 111 B 1 .
ATOM 2135 C C    . GLY Bxp B 44 ? 60.251 24.375  29.223 1   107.302 ? 111 B 1 .
ATOM 2136 O O    . GLY Bxp B 44 ? 60.101 24.587  28.021 1   108.495 ? 111 B 1 .
ATOM 2137 H H    . GLY Bxp B 44 ? 60.73  25.219  32.183 1   110.768 ? 111 B 1 c
ATOM 2138 H HA3  . GLY Bxp B 44 ? 61.525 25.714  30.169 1   105.265 ? 111 B 1 c
ATOM 2139 H HA2  . GLY Bxp B 44 ? 60.127 26.368  29.796 1   105.454 ? 111 B 1 c
ATOM 2140 N N    . GLU Bxp B 45 ? 60.189 23.136  29.748 1   114.534 ? 112 B 1 .
ATOM 2141 C CA   . GLU Bxp B 45 ? 60.095 21.924  28.937 1   106.959 ? 112 B 1 .
ATOM 2142 C C    . GLU Bxp B 45 ? 58.77  21.839  28.174 1   102.126 ? 112 B 1 .
ATOM 2143 O O    . GLU Bxp B 45 ? 57.712 22.147  28.72  1   100.148 ? 112 B 1 .
ATOM 2144 C CB   . GLU Bxp B 45 ? 60.096 20.652  29.783 1   124.641 ? 112 B 1 .
ATOM 2145 C CG   . GLU Bxp B 45 ? 61.457 20.161  30.268 1   141.202 ? 112 B 1 .
ATOM 2146 C CD   . GLU Bxp B 45 ? 61.337 19.029  31.29  1   155.501 ? 112 B 1 .
ATOM 2147 O OE1  . GLU Bxp B 45 ? 60.549 18.072  31.087 1   152.466 ? 112 B 1 .
ATOM 2148 O OE2  . GLU Bxp B 45 ? 62.049 19.09   32.312 1   154.231 ? 112 B 1 .
ATOM 2149 H H    . GLU Bxp B 45 ? 60.209 23.046  30.657 1   111.148 ? 112 B 1 c
ATOM 2150 H HA   . GLU Bxp B 45 ? 60.853 21.907  28.302 1   110.646 ? 112 B 1 c
ATOM 2151 H HB3  . GLU Bxp B 45 ? 59.691 19.928  29.26  1   123.745 ? 112 B 1 c
ATOM 2152 H HB2  . GLU Bxp B 45 ? 59.529 20.801  30.568 1   123.897 ? 112 B 1 c
ATOM 2153 H HG3  . GLU Bxp B 45 ? 61.944 20.908  30.678 1   140.384 ? 112 B 1 c
ATOM 2154 H HG2  . GLU Bxp B 45 ? 61.979 19.841  29.502 1   140.319 ? 112 B 1 c
ATOM 2155 N N    . PRO Bxp B 46 ? 58.78  21.387  26.897 1   100.738 ? 113 B 1 .
ATOM 2156 C CA   . PRO Bxp B 46 ? 57.563 21.091  26.151 1   97.533  ? 113 B 1 .
ATOM 2157 C C    . PRO Bxp B 46 ? 56.643 20.076  26.814 1   92.626  ? 113 B 1 .
ATOM 2158 O O    . PRO Bxp B 46 ? 57.098 19.108  27.411 1   102.088 ? 113 B 1 .
ATOM 2159 C CB   . PRO Bxp B 46 ? 58.068 20.54   24.826 1   107.935 ? 113 B 1 .
ATOM 2160 C CG   . PRO Bxp B 46 ? 59.389 21.257  24.674 1   125.61  ? 113 B 1 .
ATOM 2161 C CD   . PRO Bxp B 46 ? 59.974 21.246  26.058 1   122.964 ? 113 B 1 .
ATOM 2162 H HA   . PRO Bxp B 46 ? 57.072 21.924  25.993 1   98.914  ? 113 B 1 c
ATOM 2163 H HB3  . PRO Bxp B 46 ? 57.458 20.761  24.096 1   109.142 ? 113 B 1 c
ATOM 2164 H HB2  . PRO Bxp B 46 ? 58.195 19.573  24.871 1   108.917 ? 113 B 1 c
ATOM 2165 H HG3  . PRO Bxp B 46 ? 59.257 22.174  24.361 1   120.788 ? 113 B 1 c
ATOM 2166 H HG2  . PRO Bxp B 46 ? 59.973 20.787  24.046 1   120.788 ? 113 B 1 c
ATOM 2167 H HD3  . PRO Bxp B 46 ? 60.437 20.406  26.246 1   117.903 ? 113 B 1 c
ATOM 2168 H HD2  . PRO Bxp B 46 ? 60.588 21.994  26.19  1   117.818 ? 113 B 1 c
ATOM 2169 N N    . VAL Bxp B 47 ? 55.341 20.322  26.663 1   89.842  ? 114 B 1 .
ATOM 2170 C CA   . VAL Bxp B 47 ? 54.283 19.553  27.291 1   84.305  ? 114 B 1 .
ATOM 2171 C C    . VAL Bxp B 47 ? 53.988 18.357  26.402 1   87.401  ? 114 B 1 .
ATOM 2172 O O    . VAL Bxp B 47 ? 54.046 18.501  25.191 1   98.629  ? 114 B 1 .
ATOM 2173 C CB   . VAL Bxp B 47 ? 53.052 20.465  27.422 1   84.233  ? 114 B 1 .
ATOM 2174 C CG1  . VAL Bxp B 47 ? 52.297 20.591  26.102 1   82.408  ? 114 B 1 .
ATOM 2175 C CG2  . VAL Bxp B 47 ? 52.119 20.007  28.525 1   99.38   ? 114 B 1 .
ATOM 2176 H H    . VAL Bxp B 47 ? 55.098 21.019  26.124 1   89.19   ? 114 B 1 c
ATOM 2177 H HA   . VAL Bxp B 47 ? 54.571 19.253  28.169 1   86.652  ? 114 B 1 c
ATOM 2178 H HB   . VAL Bxp B 47 ? 53.38  21.363  27.665 1   86.596  ? 114 B 1 c
ATOM 2179 H HG11 . VAL Bxp B 47 ? 51.81  19.77   25.922 1   83.137  ? 114 B 1 c
ATOM 2180 H HG12 . VAL Bxp B 47 ? 52.924 20.761  25.381 1   83.057  ? 114 B 1 c
ATOM 2181 H HG13 . VAL Bxp B 47 ? 51.668 21.33   26.16  1   83.001  ? 114 B 1 c
ATOM 2182 H HG21 . VAL Bxp B 47 ? 51.663 20.777  28.904 1   94.536  ? 114 B 1 c
ATOM 2183 H HG22 . VAL Bxp B 47 ? 52.63  19.56   29.22  1   94.412  ? 114 B 1 c
ATOM 2184 H HG23 . VAL Bxp B 47 ? 51.462 19.391  28.161 1   94.374  ? 114 B 1 c
ATOM 2185 N N    . ASP Bxp B 48 ? 53.633 17.208  26.984 1   94.502  ? 115 B 1 .
ATOM 2186 C CA   . ASP Bxp B 48 ? 53.592 15.98   26.2   1   101.845 ? 115 B 1 .
ATOM 2187 C C    . ASP Bxp B 48 ? 52.17  15.623  25.773 1   92.052  ? 115 B 1 .
ATOM 2188 O O    . ASP Bxp B 48 ? 51.204 15.831  26.501 1   86.028  ? 115 B 1 .
ATOM 2189 C CB   . ASP Bxp B 48 ? 54.372 14.824  26.814 1   115.878 ? 115 B 1 .
ATOM 2190 C CG   . ASP Bxp B 48 ? 54.425 14.69   28.33  1   127.451 ? 115 B 1 .
ATOM 2191 O OD1  . ASP Bxp B 48 ? 53.616 15.338  29.021 1   150.22  ? 115 B 1 .
ATOM 2192 O OD2  . ASP Bxp B 48 ? 55.315 13.953  28.809 1   130.186 ? 115 B 1 .
ATOM 2193 H H    . ASP Bxp B 48 ? 53.407 17.188  27.869 1   94.355  ? 115 B 1 c
ATOM 2194 H HA   . ASP Bxp B 48 ? 54.095 16.156  25.374 1   100.694 ? 115 B 1 c
ATOM 2195 H HB3  . ASP Bxp B 48 ? 55.295 14.88   26.495 1   114.897 ? 115 B 1 c
ATOM 2196 H HB2  . ASP Bxp B 48 ? 53.997 13.989  26.463 1   114.841 ? 115 B 1 c
ATOM 2197 N N    . ILE Bxp B 49 ? 52.106 15.047  24.568 1   89.263  ? 116 B 1 .
ATOM 2198 C CA   . ILE Bxp B 49 ? 50.879 14.752  23.859 1   82.458  ? 116 B 1 .
ATOM 2199 C C    . ILE Bxp B 49 ? 50.795 13.253  23.723 1   79.096  ? 116 B 1 .
ATOM 2200 O O    . ILE Bxp B 49 ? 51.66  12.682  23.073 1   80.243  ? 116 B 1 .
ATOM 2201 C CB   . ILE Bxp B 49 ? 50.914 15.341  22.447 1   84.122  ? 116 B 1 .
ATOM 2202 C CG1  . ILE Bxp B 49 ? 51.298 16.812  22.45  1   91.903  ? 116 B 1 .
ATOM 2203 C CG2  . ILE Bxp B 49 ? 49.592 15.076  21.734 1   84.151  ? 116 B 1 .
ATOM 2204 C CD1  . ILE Bxp B 49 ? 51.903 17.276  21.14  1   96.076  ? 116 B 1 .
ATOM 2205 H H    . ILE Bxp B 49 ? 52.892 14.818  24.163 1   88.496  ? 116 B 1 c
ATOM 2206 H HA   . ILE Bxp B 49 ? 50.109 15.096  24.351 1   83.451  ? 116 B 1 c
ATOM 2207 H HB   . ILE Bxp B 49 ? 51.611 14.867  21.951 1   85.217  ? 116 B 1 c
ATOM 2208 H HG12 . ILE Bxp B 49 ? 51.942 16.973  23.169 1   90.912  ? 116 B 1 c
ATOM 2209 H HG13 . ILE Bxp B 49 ? 50.499 17.346  22.636 1   90.859  ? 116 B 1 c
ATOM 2210 H HG21 . ILE Bxp B 49 ? 49.426 15.778  21.083 1   84.229  ? 116 B 1 c
ATOM 2211 H HG22 . ILE Bxp B 49 ? 48.868 15.06   22.381 1   84.144  ? 116 B 1 c
ATOM 2212 H HG23 . ILE Bxp B 49 ? 49.634 14.219  21.277 1   84.137  ? 116 B 1 c
ATOM 2213 H HD11 . ILE Bxp B 49 ? 52.874 17.184  21.178 1   94.571  ? 116 B 1 c
ATOM 2214 H HD12 . ILE Bxp B 49 ? 51.672 18.212  20.987 1   94.72   ? 116 B 1 c
ATOM 2215 H HD13 . ILE Bxp B 49 ? 51.556 16.734  20.406 1   94.538  ? 116 B 1 c
ATOM 2216 N N    . LEU Bxp B 50 ? 49.738 12.653  24.268 1   81.982  ? 117 B 1 .
ATOM 2217 C CA   . LEU Bxp B 50 ? 49.589 11.209  24.196 1   81.05   ? 117 B 1 .
ATOM 2218 C C    . LEU Bxp B 50 ? 48.336 10.844  23.411 1   79.5    ? 117 B 1 .
ATOM 2219 O O    . LEU Bxp B 50 ? 47.307 11.488  23.512 1   84.423  ? 117 B 1 .
ATOM 2220 C CB   . LEU Bxp B 50 ? 49.606 10.525  25.56  1   80.941  ? 117 B 1 .
ATOM 2221 C CG   . LEU Bxp B 50 ? 49.541 11.411  26.805 1   88.643  ? 117 B 1 .
ATOM 2222 C CD1  . LEU Bxp B 50 ? 48.792 10.715  27.938 1   96.59   ? 117 B 1 .
ATOM 2223 C CD2  . LEU Bxp B 50 ? 50.958 11.764  27.229 1   93.352  ? 117 B 1 .
ATOM 2224 H H    . LEU Bxp B 50 ? 49.085 13.15   24.671 1   81.219  ? 117 B 1 c
ATOM 2225 H HA   . LEU Bxp B 50 ? 50.36  10.864  23.679 1   80.992  ? 117 B 1 c
ATOM 2226 H HB3  . LEU Bxp B 50 ? 50.423 9.978   25.614 1   82.798  ? 117 B 1 c
ATOM 2227 H HB2  . LEU Bxp B 50 ? 48.851 9.893   25.591 1   82.821  ? 117 B 1 c
ATOM 2228 H HG   . LEU Bxp B 50 ? 49.058 12.246  26.58  1   89.313  ? 117 B 1 c
ATOM 2229 H HD11 . LEU Bxp B 50 ? 48.079 10.166  27.57  1   94.092  ? 117 B 1 c
ATOM 2230 H HD12 . LEU Bxp B 50 ? 48.408 11.382  28.529 1   94.228  ? 117 B 1 c
ATOM 2231 H HD13 . LEU Bxp B 50 ? 49.406 10.153  28.439 1   94.155  ? 117 B 1 c
ATOM 2232 H HD21 . LEU Bxp B 50 ? 51.416 12.21   26.497 1   91.945  ? 117 B 1 c
ATOM 2233 H HD22 . LEU Bxp B 50 ? 51.44  10.953  27.465 1   91.904  ? 117 B 1 c
ATOM 2234 H HD23 . LEU Bxp B 50 ? 50.929 12.356  27.999 1   92.013  ? 117 B 1 c
ATOM 2235 N N    . VAL Bxp B 51 ? 48.452 9.789   22.613 1   88.87   ? 118 B 1 .
ATOM 2236 C CA   . VAL Bxp B 51 ? 47.303 9.193   21.968 1   89.127  ? 118 B 1 .
ATOM 2237 C C    . VAL Bxp B 51 ? 47.044 7.818   22.563 1   88.936  ? 118 B 1 .
ATOM 2238 O O    . VAL Bxp B 51 ? 47.935 6.975   22.602 1   83.019  ? 118 B 1 .
ATOM 2239 C CB   . VAL Bxp B 51 ? 47.526 9.073   20.466 1   90.336  ? 118 B 1 .
ATOM 2240 C CG1  . VAL Bxp B 51 ? 46.298 8.46    19.828 1   97.533  ? 118 B 1 .
ATOM 2241 C CG2  . VAL Bxp B 51 ? 47.851 10.427  19.862 1   101.809 ? 118 B 1 .
ATOM 2242 H H    . VAL Bxp B 51 ? 49.278 9.426   22.462 1   86.508  ? 118 B 1 c
ATOM 2243 H HA   . VAL Bxp B 51 ? 46.523 9.759   22.126 1   89.295  ? 118 B 1 c
ATOM 2244 H HB   . VAL Bxp B 51 ? 48.293 8.47    20.324 1   93.43   ? 118 B 1 c
ATOM 2245 H HG11 . VAL Bxp B 51 ? 45.499 8.813   20.254 1   95.29   ? 118 B 1 c
ATOM 2246 H HG12 . VAL Bxp B 51 ? 46.322 7.494   19.937 1   95.459  ? 118 B 1 c
ATOM 2247 H HG13 . VAL Bxp B 51 ? 46.281 8.676   18.881 1   95.346  ? 118 B 1 c
ATOM 2248 H HG21 . VAL Bxp B 51 ? 47.81  10.37   18.893 1   98.21   ? 118 B 1 c
ATOM 2249 H HG22 . VAL Bxp B 51 ? 48.744 10.697  20.132 1   98.139  ? 118 B 1 c
ATOM 2250 H HG23 . VAL Bxp B 51 ? 47.208 11.084  20.175 1   98.192  ? 118 B 1 c
ATOM 2251 N N    . ASN Bxp B 52 ? 45.803 7.619   23.01  1   97.074  ? 119 B 1 .
ATOM 2252 C CA   . ASN Bxp B 52 ? 45.403 6.441   23.764 1   96.525  ? 119 B 1 .
ATOM 2253 C C    . ASN Bxp B 52 ? 46.408 6.147   24.869 1   95.773  ? 119 B 1 .
ATOM 2254 O O    . ASN Bxp B 52 ? 46.789 5.001   25.1   1   80.412  ? 119 B 1 .
ATOM 2255 C CB   . ASN Bxp B 52 ? 45.205 5.246   22.848 1   92.913  ? 119 B 1 .
ATOM 2256 C CG   . ASN Bxp B 52 ? 43.915 5.36    22.084 1   100.588 ? 119 B 1 .
ATOM 2257 O OD1  . ASN Bxp B 52 ? 43.075 6.214   22.38  1   115.77  ? 119 B 1 .
ATOM 2258 N ND2  . ASN Bxp B 52 ? 43.724 4.483   21.117 1   121.824 ? 119 B 1 .
ATOM 2259 H H    . ASN Bxp B 52 ? 45.167 8.251   22.831 1   94.853  ? 119 B 1 c
ATOM 2260 H HA   . ASN Bxp B 52 ? 44.538 6.633   24.189 1   95.951  ? 119 B 1 c
ATOM 2261 H HB3  . ASN Bxp B 52 ? 45.192 4.425   23.379 1   95.332  ? 119 B 1 c
ATOM 2262 H HB2  . ASN Bxp B 52 ? 45.951 5.191   22.218 1   95.333  ? 119 B 1 c
ATOM 2263 H HD21 . ASN Bxp B 52 ? 42.923 4.119   21.001 1   114.802 ? 119 B 1 c
ATOM 2264 H HD22 . ASN Bxp B 52 ? 44.397 4.259   20.584 1   114.677 ? 119 B 1 c
ATOM 2265 N N    . GLY Bxp B 53 ? 46.834 7.217   25.539 1   107.805 ? 120 B 1 .
ATOM 2266 C CA   . GLY Bxp B 53 ? 47.695 7.103   26.701 1   110.467 ? 120 B 1 .
ATOM 2267 C C    . GLY Bxp B 53 ? 49.137 6.753   26.347 1   94.169  ? 120 B 1 .
ATOM 2268 O O    . GLY Bxp B 53 ? 49.91  6.457   27.247 1   108.386 ? 120 B 1 .
ATOM 2269 H H    . GLY Bxp B 53 ? 46.568 8.05    25.274 1   105.161 ? 120 B 1 c
ATOM 2270 H HA3  . GLY Bxp B 53 ? 47.331 6.409   27.3   1   105.752 ? 120 B 1 c
ATOM 2271 H HA2  . GLY Bxp B 53 ? 47.681 7.957   27.192 1   105.847 ? 120 B 1 c
ATOM 2272 N N    . LYS Bxp B 54 ? 49.505 6.813   25.062 1   85.761  ? 121 B 1 .
ATOM 2273 C CA   . LYS Bxp B 54 ? 50.83  6.4     24.626 1   92.873  ? 121 B 1 .
ATOM 2274 C C    . LYS Bxp B 54 ? 51.569 7.628   24.105 1   82.684  ? 121 B 1 .
ATOM 2275 O O    . LYS Bxp B 54 ? 51.222 8.148   23.058 1   80.296  ? 121 B 1 .
ATOM 2276 C CB   . LYS Bxp B 54 ? 50.688 5.272   23.593 1   106.426 ? 121 B 1 .
ATOM 2277 C CG   . LYS Bxp B 54 ? 50.001 3.974   24.091 1   117.306 ? 121 B 1 .
ATOM 2278 C CD   . LYS Bxp B 54 ? 50.893 2.781   24.449 1   123.394 ? 121 B 1 .
ATOM 2279 C CE   . LYS Bxp B 54 ? 51.93  2.996   25.52  1   141.525 ? 121 B 1 .
ATOM 2280 N NZ   . LYS Bxp B 54 ? 51.355 2.997   26.872 1   158.493 ? 121 B 1 .
ATOM 2281 H H    . LYS Bxp B 54 ? 48.921 7.136   24.439 1   89.571  ? 121 B 1 c
ATOM 2282 H HA   . LYS Bxp B 54 ? 51.323 6.042   25.407 1   91.716  ? 121 B 1 c
ATOM 2283 H HB3  . LYS Bxp B 54 ? 51.583 5.038   23.267 1   105.434 ? 121 B 1 c
ATOM 2284 H HB2  . LYS Bxp B 54 ? 50.177 5.614   22.829 1   105.326 ? 121 B 1 c
ATOM 2285 H HG3  . LYS Bxp B 54 ? 49.37  3.685   23.397 1   116.022 ? 121 B 1 c
ATOM 2286 H HG2  . LYS Bxp B 54 ? 49.466 4.202   24.882 1   115.755 ? 121 B 1 c
ATOM 2287 H HD3  . LYS Bxp B 54 ? 51.35  2.488   23.635 1   125.806 ? 121 B 1 c
ATOM 2288 H HD2  . LYS Bxp B 54 ? 50.31  2.042   24.727 1   125.895 ? 121 B 1 c
ATOM 2289 H HE3  . LYS Bxp B 54 ? 52.379 3.847   25.369 1   140.723 ? 121 B 1 c
ATOM 2290 H HE2  . LYS Bxp B 54 ? 52.599 2.29    25.464 1   140.864 ? 121 B 1 c
ATOM 2291 H HZ1  . LYS Bxp B 54 ? 50.99  2.187   27.05  1   153.063 ? 121 B 1 c
ATOM 2292 H HZ2  . LYS Bxp B 54 ? 50.712 3.633   26.931 1   153.063 ? 121 B 1 c
ATOM 2293 H HZ3  . LYS Bxp B 54 ? 52.003 3.172   27.48  1   153.063 ? 121 B 1 c
ATOM 2294 N N    . LEU Bxp B 55 ? 52.566 8.102   24.859 1   78.58   ? 122 B 1 .
ATOM 2295 C CA   . LEU Bxp B 55 ? 53.17  9.403   24.605 1   81.171  ? 122 B 1 .
ATOM 2296 C C    . LEU Bxp B 55 ? 53.933 9.404   23.285 1   77.545  ? 122 B 1 .
ATOM 2297 O O    . LEU Bxp B 55 ? 54.967 8.763   23.19  1   88.079  ? 122 B 1 .
ATOM 2298 C CB   . LEU Bxp B 55 ? 54.072 9.757   25.784 1   91.37   ? 122 B 1 .
ATOM 2299 C CG   . LEU Bxp B 55 ? 55.332 10.597  25.523 1   90.204  ? 122 B 1 .
ATOM 2300 C CD1  . LEU Bxp B 55 ? 55.156 11.814  24.68  1   83.882  ? 122 B 1 .
ATOM 2301 C CD2  . LEU Bxp B 55 ? 55.891 11.008  26.883 1   107.415 ? 122 B 1 .
ATOM 2302 H H    . LEU Bxp B 55 ? 52.882 7.595   25.551 1   80.446  ? 122 B 1 c
ATOM 2303 H HA   . LEU Bxp B 55 ? 52.442 10.072  24.547 1   81.735  ? 122 B 1 c
ATOM 2304 H HB3  . LEU Bxp B 55 ? 54.354 8.917   26.214 1   88.545  ? 122 B 1 c
ATOM 2305 H HB2  . LEU Bxp B 55 ? 53.522 10.232  26.449 1   88.734  ? 122 B 1 c
ATOM 2306 H HG   . LEU Bxp B 55 ? 56.006 10.016  25.086 1   92.024  ? 122 B 1 c
ATOM 2307 H HD11 . LEU Bxp B 55 ? 55.548 11.662  23.804 1   85.763  ? 122 B 1 c
ATOM 2308 H HD12 . LEU Bxp B 55 ? 55.597 12.571  25.102 1   86.046  ? 122 B 1 c
ATOM 2309 H HD13 . LEU Bxp B 55 ? 54.209 12.008  24.581 1   85.771  ? 122 B 1 c
ATOM 2310 H HD21 . LEU Bxp B 55 ? 55.949 10.228  27.46  1   101.907 ? 122 B 1 c
ATOM 2311 H HD22 . LEU Bxp B 55 ? 55.305 11.668  27.289 1   101.867 ? 122 B 1 c
ATOM 2312 H HD23 . LEU Bxp B 55 ? 56.777 11.39   26.768 1   101.865 ? 122 B 1 c
ATOM 2313 N N    . ILE Bxp B 56 ? 53.445 10.176  22.301 1   82.168  ? 123 B 1 .
ATOM 2314 C CA   . ILE Bxp B 56 ? 53.947 10.114  20.935 1   81.981  ? 123 B 1 .
ATOM 2315 C C    . ILE Bxp B 56 ? 54.392 11.481  20.42  1   78.079  ? 123 B 1 .
ATOM 2316 O O    . ILE Bxp B 56 ? 54.774 11.544  19.262 1   76.388  ? 123 B 1 .
ATOM 2317 C CB   . ILE Bxp B 56 ? 52.896 9.495   19.984 1   92.962  ? 123 B 1 .
ATOM 2318 C CG1  . ILE Bxp B 56 ? 51.703 10.414  19.705 1   88.135  ? 123 B 1 .
ATOM 2319 C CG2  . ILE Bxp B 56 ? 52.415 8.14    20.495 1   114.766 ? 123 B 1 .
ATOM 2320 C CD1  . ILE Bxp B 56 ? 51.681 11.01   18.316 1   91.855  ? 123 B 1 .
ATOM 2321 H H    . ILE Bxp B 56 ? 52.76  10.751  22.488 1   80.981  ? 123 B 1 c
ATOM 2322 H HA   . ILE Bxp B 56 ? 54.728 9.528   20.93  1   83.166  ? 123 B 1 c
ATOM 2323 H HB   . ILE Bxp B 56 ? 53.342 9.338   19.129 1   93.467  ? 123 B 1 c
ATOM 2324 H HG12 . ILE Bxp B 56 ? 51.707 11.143  20.359 1   90.008  ? 123 B 1 c
ATOM 2325 H HG13 . ILE Bxp B 56 ? 50.878 9.906   19.836 1   90.36   ? 123 B 1 c
ATOM 2326 H HG21 . ILE Bxp B 56 ? 52.388 7.508   19.758 1   107.557 ? 123 B 1 c
ATOM 2327 H HG22 . ILE Bxp B 56 ? 51.525 8.228   20.872 1   107.146 ? 123 B 1 c
ATOM 2328 H HG23 . ILE Bxp B 56 ? 53.024 7.811   21.177 1   107.04  ? 123 B 1 c
ATOM 2329 H HD11 . ILE Bxp B 56 ? 52.49  11.534  18.166 1   90.622  ? 123 B 1 c
ATOM 2330 H HD12 . ILE Bxp B 56 ? 50.901 11.589  18.223 1   90.738  ? 123 B 1 c
ATOM 2331 H HD13 . ILE Bxp B 56 ? 51.633 10.294  17.655 1   90.861  ? 123 B 1 c
ATOM 2332 N N    . ALA Bxp B 57 ? 54.289 12.567  21.207 1   80.274  ? 124 B 1 .
ATOM 2333 C CA   . ALA Bxp B 57 ? 54.782 13.874  20.78  1   75.626  ? 124 B 1 .
ATOM 2334 C C    . ALA Bxp B 57 ? 54.862 14.84   21.952 1   72.576  ? 124 B 1 .
ATOM 2335 O O    . ALA Bxp B 57 ? 54.213 14.637  22.968 1   79.855  ? 124 B 1 .
ATOM 2336 C CB   . ALA Bxp B 57 ? 53.903 14.466  19.715 1   78.768  ? 124 B 1 .
ATOM 2337 H H    . ALA Bxp B 57 ? 53.904 12.493  22.032 1   78.688  ? 124 B 1 c
ATOM 2338 H HA   . ALA Bxp B 57 ? 55.701 13.754  20.414 1   76.489  ? 124 B 1 c
ATOM 2339 H HB3  . ALA Bxp B 57 ? 54.452 14.91   19.047 1   78.094  ? 124 B 1 c
ATOM 2340 H HB2  . ALA Bxp B 57 ? 53.296 15.113  20.111 1   78.137  ? 124 B 1 c
ATOM 2341 H HB1  . ALA Bxp B 57 ? 53.384 13.765  19.287 1   78.022  ? 124 B 1 c
ATOM 2342 N N    . ARG Bxp B 58 ? 55.651 15.898  21.776 1   72.178  ? 125 B 1 .
ATOM 2343 C CA   . ARG Bxp B 58 ? 55.643 17.026  22.683 1   78.68   ? 125 B 1 .
ATOM 2344 C C    . ARG Bxp B 58 ? 55.477 18.302  21.869 1   80.597  ? 125 B 1 .
ATOM 2345 O O    . ARG Bxp B 58 ? 55.755 18.312  20.671 1   83.019  ? 125 B 1 .
ATOM 2346 C CB   . ARG Bxp B 58 ? 56.944 17.138  23.469 1   86.863  ? 125 B 1 .
ATOM 2347 C CG   . ARG Bxp B 58 ? 57.29  15.975  24.382 1   95.659  ? 125 B 1 .
ATOM 2348 C CD   . ARG Bxp B 58 ? 58.667 16.265  25.006 1   109.637 ? 125 B 1 .
ATOM 2349 N NE   . ARG Bxp B 58 ? 59.13  15.124  25.798 1   114.645 ? 125 B 1 .
ATOM 2350 C CZ   . ARG Bxp B 58 ? 58.556 14.709  26.916 1   129.118 ? 125 B 1 .
ATOM 2351 N NH1  . ARG Bxp B 58 ? 57.688 15.472  27.571 1   134.789 ? 125 B 1 .
ATOM 2352 N NH2  . ARG Bxp B 58 ? 58.91  13.539  27.406 1   135.443 ? 125 B 1 .
ATOM 2353 H H    . ARG Bxp B 58 ? 56.218 15.916  21.059 1   73.776  ? 125 B 1 c
ATOM 2354 H HA   . ARG Bxp B 58 ? 54.879 16.936  23.305 1   79.318  ? 125 B 1 c
ATOM 2355 H HB3  . ARG Bxp B 58 ? 56.9   17.952  24.013 1   86.966  ? 125 B 1 c
ATOM 2356 H HB2  . ARG Bxp B 58 ? 57.678 17.255  22.828 1   87.039  ? 125 B 1 c
ATOM 2357 H HG3  . ARG Bxp B 58 ? 57.329 15.14   23.866 1   96.576  ? 125 B 1 c
ATOM 2358 H HG2  . ARG Bxp B 58 ? 56.617 15.894  25.091 1   96.909  ? 125 B 1 c
ATOM 2359 H HD3  . ARG Bxp B 58 ? 58.611 17.057  25.577 1   107.754 ? 125 B 1 c
ATOM 2360 H HD2  . ARG Bxp B 58 ? 59.315 16.448  24.295 1   107.399 ? 125 B 1 c
ATOM 2361 H HE   . ARG Bxp B 58 ? 59.83  14.689  25.517 1   116.84  ? 125 B 1 c
ATOM 2362 H HH11 . ARG Bxp B 58 ? 57.754 16.352  27.541 1   132.564 ? 125 B 1 c
ATOM 2363 H HH12 . ARG Bxp B 58 ? 57.055 15.09   28.052 1   132.729 ? 125 B 1 c
ATOM 2364 H HH21 . ARG Bxp B 58 ? 59.015 12.849  26.863 1   133.464 ? 125 B 1 c
ATOM 2365 H HH22 . ARG Bxp B 58 ? 59.042 13.448  28.275 1   133.464 ? 125 B 1 c
ATOM 2366 N N    . GLY Bxp B 59 ? 55.03  19.367  22.543 1   85.192  ? 126 B 1 .
ATOM 2367 C CA   . GLY Bxp B 59 ? 54.686 20.615  21.881 1   85.12   ? 126 B 1 .
ATOM 2368 C C    . GLY Bxp B 59 ? 54.585 21.787  22.85  1   76.21   ? 126 B 1 .
ATOM 2369 O O    . GLY Bxp B 59 ? 54.791 21.633  24.041 1   71.816  ? 126 B 1 .
ATOM 2370 H H    . GLY Bxp B 59 ? 54.937 19.312  23.451 1   83.93   ? 126 B 1 c
ATOM 2371 H HA3  . GLY Bxp B 59 ? 53.828 20.501  21.412 1   83.286  ? 126 B 1 c
ATOM 2372 H HA2  . GLY Bxp B 59 ? 55.37  20.817  21.214 1   83.412  ? 126 B 1 c
ATOM 2373 N N    . GLU Bxp B 60 ? 54.315 22.966  22.293 1   80.101  ? 127 B 1 .
ATOM 2374 C CA   . GLU Bxp B 60 ? 54.195 24.192  23.052 1   89.443  ? 127 B 1 .
ATOM 2375 C C    . GLU Bxp B 60 ? 52.708 24.497  23.153 1   87.091  ? 127 B 1 .
ATOM 2376 O O    . GLU Bxp B 60 ? 51.985 24.339  22.17  1   82.4    ? 127 B 1 .
ATOM 2377 C CB   . GLU Bxp B 60 ? 54.917 25.352  22.357 1   111.568 ? 127 B 1 .
ATOM 2378 C CG   . GLU Bxp B 60 ? 56.443 25.368  22.484 1   134.964 ? 127 B 1 .
ATOM 2379 C CD   . GLU Bxp B 60 ? 57.049 25.665  23.854 1   162.311 ? 127 B 1 .
ATOM 2380 O OE1  . GLU Bxp B 60 ? 57.129 24.766  24.721 1   160.292 ? 127 B 1 .
ATOM 2381 O OE2  . GLU Bxp B 60 ? 57.455 26.83   24.059 1   182.865 ? 127 B 1 .
ATOM 2382 H H    . GLU Bxp B 60 ? 54.199 23.004  21.387 1   81.39   ? 127 B 1 c
ATOM 2383 H HA   . GLU Bxp B 60 ? 54.569 24.053  23.959 1   90.383  ? 127 B 1 c
ATOM 2384 H HB3  . GLU Bxp B 60 ? 54.575 26.195  22.722 1   110.626 ? 127 B 1 c
ATOM 2385 H HB2  . GLU Bxp B 60 ? 54.691 25.331  21.403 1   110.557 ? 127 B 1 c
ATOM 2386 H HG3  . GLU Bxp B 60 ? 56.795 26.031  21.852 1   135.091 ? 127 B 1 c
ATOM 2387 H HG2  . GLU Bxp B 60 ? 56.783 24.496  22.19  1   134.884 ? 127 B 1 c
ATOM 2388 N N    . VAL Bxp B 61 ? 52.26  24.926  24.337 1   85.825  ? 128 B 1 .
ATOM 2389 C CA   . VAL Bxp B 61 ? 50.867 25.302  24.51  1   83.754  ? 128 B 1 .
ATOM 2390 C C    . VAL Bxp B 61 ? 50.619 26.598  23.758 1   85.995  ? 128 B 1 .
ATOM 2391 O O    . VAL Bxp B 61 ? 51.381 27.548  23.899 1   101.39  ? 128 B 1 .
ATOM 2392 C CB   . VAL Bxp B 61 ? 50.434 25.483  25.971 1   88.39   ? 128 B 1 .
ATOM 2393 C CG1  . VAL Bxp B 61 ? 49.079 26.181  26.055 1   95.117  ? 128 B 1 .
ATOM 2394 C CG2  . VAL Bxp B 61 ? 50.402 24.159  26.725 1   101.454 ? 128 B 1 .
ATOM 2395 H H    . VAL Bxp B 61 ? 52.83  24.988  25.049 1   85.717  ? 128 B 1 c
ATOM 2396 H HA   . VAL Bxp B 61 ? 50.313 24.602  24.113 1   85.397  ? 128 B 1 c
ATOM 2397 H HB   . VAL Bxp B 61 ? 51.103 26.064  26.404 1   91.016  ? 128 B 1 c
ATOM 2398 H HG11 . VAL Bxp B 61 ? 48.492 25.838  25.36  1   92.952  ? 128 B 1 c
ATOM 2399 H HG12 . VAL Bxp B 61 ? 49.197 27.139  25.938 1   93.026  ? 128 B 1 c
ATOM 2400 H HG13 . VAL Bxp B 61 ? 48.681 26.01   26.925 1   93.092  ? 128 B 1 c
ATOM 2401 H HG21 . VAL Bxp B 61 ? 50.224 24.325  27.666 1   97.413  ? 128 B 1 c
ATOM 2402 H HG22 . VAL Bxp B 61 ? 51.26  23.711  26.632 1   97.413  ? 128 B 1 c
ATOM 2403 H HG23 . VAL Bxp B 61 ? 49.701 23.593  26.358 1   97.413  ? 128 B 1 c
ATOM 2404 N N    . VAL Bxp B 62 ? 49.522 26.642  23.006 1   85.143  ? 129 B 1 .
ATOM 2405 C CA   . VAL Bxp B 62 ? 49.095 27.879  22.384 1   86.847  ? 129 B 1 .
ATOM 2406 C C    . VAL Bxp B 62 ? 47.622 28.099  22.675 1   94.383  ? 129 B 1 .
ATOM 2407 O O    . VAL Bxp B 62 ? 46.948 27.206  23.193 1   91.987  ? 129 B 1 .
ATOM 2408 C CB   . VAL Bxp B 62 ? 49.344 27.812  20.876 1   86.245  ? 129 B 1 .
ATOM 2409 C CG1  . VAL Bxp B 62 ? 50.832 27.791  20.58  1   103.931 ? 129 B 1 .
ATOM 2410 C CG2  . VAL Bxp B 62 ? 48.634 26.621  20.246 1   77.396  ? 129 B 1 .
ATOM 2411 H H    . VAL Bxp B 62 ? 49.022 25.887  22.884 1   85.679  ? 129 B 1 c
ATOM 2412 H HA   . VAL Bxp B 62 ? 49.607 28.622  22.759 1   87.875  ? 129 B 1 c
ATOM 2413 H HB   . VAL Bxp B 62 ? 48.969 28.633  20.481 1   87.722  ? 129 B 1 c
ATOM 2414 H HG11 . VAL Bxp B 62 ? 51.2   26.924  20.82  1   98.376  ? 129 B 1 c
ATOM 2415 H HG12 . VAL Bxp B 62 ? 51.277 28.485  21.095 1   98.317  ? 129 B 1 c
ATOM 2416 H HG13 . VAL Bxp B 62 ? 50.976 27.951  19.632 1   98.528  ? 129 B 1 c
ATOM 2417 H HG21 . VAL Bxp B 62 ? 48.698 26.683  19.278 1   79.975  ? 129 B 1 c
ATOM 2418 H HG22 . VAL Bxp B 62 ? 47.699 26.621  20.507 1   80.134  ? 129 B 1 c
ATOM 2419 H HG23 . VAL Bxp B 62 ? 49.054 25.797  20.544 1   80.024  ? 129 B 1 c
ATOM 2420 N N    . VAL Bxp B 63 ? 47.129 29.284  22.295 1   92.212  ? 130 B 1 .
ATOM 2421 C CA   . VAL Bxp B 63 ? 45.703 29.529  22.389 1   84.565  ? 130 B 1 .
ATOM 2422 C C    . VAL Bxp B 63 ? 45.131 29.849  21.02  1   83.681  ? 130 B 1 .
ATOM 2423 O O    . VAL Bxp B 63 ? 45.487 30.846  20.409 1   106.761 ? 130 B 1 .
ATOM 2424 C CB   . VAL Bxp B 63 ? 45.364 30.668  23.343 1   82.762  ? 130 B 1 .
ATOM 2425 C CG1  . VAL Bxp B 63 ? 43.853 30.818  23.387 1   88.681  ? 130 B 1 .
ATOM 2426 C CG2  . VAL Bxp B 63 ? 45.956 30.424  24.722 1   92.717  ? 130 B 1 .
ATOM 2427 H H    . VAL Bxp B 63 ? 47.681 29.941  21.98  1   90.886  ? 130 B 1 c
ATOM 2428 H HA   . VAL Bxp B 63 ? 45.273 28.717  22.721 1   85.513  ? 130 B 1 c
ATOM 2429 H HB   . VAL Bxp B 63 ? 45.754 31.494  22.973 1   86.041  ? 130 B 1 c
ATOM 2430 H HG11 . VAL Bxp B 63 ? 43.437 29.941  23.391 1   86.945  ? 130 B 1 c
ATOM 2431 H HG12 . VAL Bxp B 63 ? 43.551 31.317  22.609 1   86.896  ? 130 B 1 c
ATOM 2432 H HG13 . VAL Bxp B 63 ? 43.599 31.298  24.193 1   86.948  ? 130 B 1 c
ATOM 2433 H HG21 . VAL Bxp B 63 ? 45.602 31.077  25.348 1   89.642  ? 130 B 1 c
ATOM 2434 H HG22 . VAL Bxp B 63 ? 46.923 30.508  24.68  1   89.667  ? 130 B 1 c
ATOM 2435 H HG23 . VAL Bxp B 63 ? 45.722 29.529  25.022 1   89.656  ? 130 B 1 c
ATOM 2436 N N    . ILE Bxp B 64 ? 44.209 29      20.582 1   79.299  ? 131 B 1 .
ATOM 2437 C CA   . ILE Bxp B 64 ? 43.438 29.257  19.389 1   79.05   ? 131 B 1 .
ATOM 2438 C C    . ILE Bxp B 64 ? 42.132 29.876  19.85  1   82.839  ? 131 B 1 .
ATOM 2439 O O    . ILE Bxp B 64 ? 41.164 29.159  20.011 1   109.162 ? 131 B 1 .
ATOM 2440 C CB   . ILE Bxp B 64 ? 43.189 27.951  18.616 1   88.52   ? 131 B 1 .
ATOM 2441 C CG1  . ILE Bxp B 64 ? 44.484 27.318  18.15  1   96.264  ? 131 B 1 .
ATOM 2442 C CG2  . ILE Bxp B 64 ? 42.228 28.173  17.455 1   101.75  ? 131 B 1 .
ATOM 2443 C CD1  . ILE Bxp B 64 ? 45.019 26.263  19.097 1   106.997 ? 131 B 1 .
ATOM 2444 H H    . ILE Bxp B 64 ? 44.054 28.227  21.045 1   80.67   ? 131 B 1 c
ATOM 2445 H HA   . ILE Bxp B 64 ? 43.917 29.887  18.815 1   81.732  ? 131 B 1 c
ATOM 2446 H HB   . ILE Bxp B 64 ? 42.764 27.324  19.234 1   90.589  ? 131 B 1 c
ATOM 2447 H HG12 . ILE Bxp B 64 ? 45.159 28.019  18.043 1   96.536  ? 131 B 1 c
ATOM 2448 H HG13 . ILE Bxp B 64 ? 44.339 26.906  17.276 1   96.75   ? 131 B 1 c
ATOM 2449 H HG21 . ILE Bxp B 64 ? 42.341 27.467  16.796 1   97.634  ? 131 B 1 c
ATOM 2450 H HG22 . ILE Bxp B 64 ? 42.412 29.032  17.039 1   97.496  ? 131 B 1 c
ATOM 2451 H HG23 . ILE Bxp B 64 ? 41.313 28.162  17.779 1   97.754  ? 131 B 1 c
ATOM 2452 H HD11 . ILE Bxp B 64 ? 45.386 26.691  19.893 1   103.123 ? 131 B 1 c
ATOM 2453 H HD12 . ILE Bxp B 64 ? 45.723 25.755  18.65  1   103.453 ? 131 B 1 c
ATOM 2454 H HD13 . ILE Bxp B 64 ? 44.3   25.657  19.357 1   103.331 ? 131 B 1 c
ATOM 2455 N N    . ASP Bxp B 65 ? 42.149 31.18   20.129 1   94.076  ? 132 B 1 .
ATOM 2456 C CA   . ASP Bxp B 65 ? 40.994 31.998  20.499 1   99.717  ? 132 B 1 .
ATOM 2457 C C    . ASP Bxp B 65 ? 40.362 31.581  21.835 1   98.142  ? 132 B 1 .
ATOM 2458 O O    . ASP Bxp B 65 ? 40.65  32.176  22.875 1   98.049  ? 132 B 1 .
ATOM 2459 C CB   . ASP Bxp B 65 ? 40.055 32.309  19.332 1   118.48  ? 132 B 1 .
ATOM 2460 C CG   . ASP Bxp B 65 ? 39.63  31.206  18.367 1   126.132 ? 132 B 1 .
ATOM 2461 O OD1  . ASP Bxp B 65 ? 38.963 30.257  18.833 1   127.313 ? 132 B 1 .
ATOM 2462 O OD2  . ASP Bxp B 65 ? 39.899 31.348  17.136 1   120.115 ? 132 B 1 .
ATOM 2463 H H    . ASP Bxp B 65 ? 42.959 31.601  20.086 1   92.248  ? 132 B 1 c
ATOM 2464 H HA   . ASP Bxp B 65 ? 41.355 32.899  20.664 1   101.709 ? 132 B 1 c
ATOM 2465 H HB3  . ASP Bxp B 65 ? 40.463 33.025  18.8   1   115.429 ? 132 B 1 c
ATOM 2466 H HB2  . ASP Bxp B 65 ? 39.232 32.664  19.722 1   115.41  ? 132 B 1 c
ATOM 2467 N N    . GLU Bxp B 66 ? 39.423 30.634  21.818 1   107.595 ? 133 B 1 .
ATOM 2468 C CA   . GLU Bxp B 66 ? 38.709 30.252  23.029 1   114.078 ? 133 B 1 .
ATOM 2469 C C    . GLU Bxp B 66 ? 39.53  29.238  23.819 1   109.9   ? 133 B 1 .
ATOM 2470 O O    . GLU Bxp B 66 ? 39.74  29.407  25.016 1   116.134 ? 133 B 1 .
ATOM 2471 C CB   . GLU Bxp B 66 ? 37.362 29.637  22.652 1   133.923 ? 133 B 1 .
ATOM 2472 C CG   . GLU Bxp B 66 ? 36.474 30.574  21.833 1   156.643 ? 133 B 1 .
ATOM 2473 C CD   . GLU Bxp B 66 ? 36.051 31.895  22.475 1   170.193 ? 133 B 1 .
ATOM 2474 O OE1  . GLU Bxp B 66 ? 36.767 32.485  23.33  1   141.186 ? 133 B 1 .
ATOM 2475 O OE2  . GLU Bxp B 66 ? 34.933 32.33   22.107 1   185.347 ? 133 B 1 .
ATOM 2476 H H    . GLU Bxp B 66 ? 39.225 30.207  21.034 1   107.435 ? 133 B 1 c
ATOM 2477 H HA   . GLU Bxp B 66 ? 38.57  31.056  23.588 1   115.463 ? 133 B 1 c
ATOM 2478 H HB3  . GLU Bxp B 66 ? 36.89  29.383  23.472 1   133.613 ? 133 B 1 c
ATOM 2479 H HB2  . GLU Bxp B 66 ? 37.518 28.824  22.134 1   133.254 ? 133 B 1 c
ATOM 2480 H HG3  . GLU Bxp B 66 ? 35.66  30.086  21.587 1   154.09  ? 133 B 1 c
ATOM 2481 H HG2  . GLU Bxp B 66 ? 36.937 30.783  20.994 1   153.409 ? 133 B 1 c
ATOM 2482 N N    . ASN Bxp B 67 ? 39.975 28.198  23.098 1   111.511 ? 134 B 1 .
ATOM 2483 C CA   . ASN Bxp B 67 ? 40.799 27.107  23.583 1   96.626  ? 134 B 1 .
ATOM 2484 C C    . ASN Bxp B 67 ? 42.224 27.329  23.112 1   92.474  ? 134 B 1 .
ATOM 2485 O O    . ASN Bxp B 67 ? 42.405 27.979  22.077 1   98.294  ? 134 B 1 .
ATOM 2486 C CB   . ASN Bxp B 67 ? 40.269 25.795  23.019 1   99.662  ? 134 B 1 .
ATOM 2487 C CG   . ASN Bxp B 67 ? 38.811 25.943  22.626 1   110.173 ? 134 B 1 .
ATOM 2488 O OD1  . ASN Bxp B 67 ? 38.484 26.708  21.714 1   102.082 ? 134 B 1 .
ATOM 2489 N ND2  . ASN Bxp B 67 ? 37.906 25.256  23.307 1   122.002 ? 134 B 1 .
ATOM 2490 H H    . ASN Bxp B 67 ? 39.756 28.189  22.211 1   107.846 ? 134 B 1 c
ATOM 2491 H HA   . ASN Bxp B 67 ? 40.762 27.071  24.565 1   99.272  ? 134 B 1 c
ATOM 2492 H HB3  . ASN Bxp B 67 ? 40.358 25.088  23.686 1   101.348 ? 134 B 1 c
ATOM 2493 H HB2  . ASN Bxp B 67 ? 40.792 25.541  22.232 1   101.224 ? 134 B 1 c
ATOM 2494 H HD21 . ASN Bxp B 67 ? 37.24  24.858  22.879 1   118.19  ? 134 B 1 c
ATOM 2495 H HD22 . ASN Bxp B 67 ? 37.968 25.196  24.189 1   118.057 ? 134 B 1 c
ATOM 2496 N N    . PHE Bxp B 68 ? 43.118 27.134  24.086 1   100.528 ? 135 B 1 .
ATOM 2497 C CA   . PHE Bxp B 68 ? 44.001 25.989  24.284 1   93.221  ? 135 B 1 .
ATOM 2498 C C    . PHE Bxp B 68 ? 44.109 24.968  23.159 1   87.093  ? 135 B 1 .
ATOM 2499 O O    . PHE Bxp B 68 ? 43.244 24.099  22.981 1   80.909  ? 135 B 1 .
ATOM 2500 C CB   . PHE Bxp B 68 ? 43.477 25.325  25.553 1   89.805  ? 135 B 1 .
ATOM 2501 C CG   . PHE Bxp B 68 ? 44.01  25.96   26.833 1   109.413 ? 135 B 1 .
ATOM 2502 C CD1  . PHE Bxp B 68 ? 44.995 26.948  26.803 1   109.148 ? 135 B 1 .
ATOM 2503 C CD2  . PHE Bxp B 68 ? 43.542 25.539  28.076 1   120.096 ? 135 B 1 .
ATOM 2504 C CE1  . PHE Bxp B 68 ? 45.457 27.521  27.973 1   105.345 ? 135 B 1 .
ATOM 2505 C CE2  . PHE Bxp B 68 ? 44.025 26.1    29.246 1   109.215 ? 135 B 1 .
ATOM 2506 C CZ   . PHE Bxp B 68 ? 44.979 27.09   29.19  1   109.046 ? 135 B 1 .
ATOM 2507 H H    . PHE Bxp B 68 ? 43.181 27.806  24.703 1   96.869  ? 135 B 1 c
ATOM 2508 H HA   . PHE Bxp B 68 ? 44.91  26.334  24.465 1   92.906  ? 135 B 1 c
ATOM 2509 H HB3  . PHE Bxp B 68 ? 43.73  24.375  25.541 1   94.625  ? 135 B 1 c
ATOM 2510 H HB2  . PHE Bxp B 68 ? 42.498 25.379  25.554 1   94.781  ? 135 B 1 c
ATOM 2511 H HD1  . PHE Bxp B 68 ? 45.324 27.259  25.976 1   107.97  ? 135 B 1 c
ATOM 2512 H HD2  . PHE Bxp B 68 ? 42.887 24.862  28.118 1   114.569 ? 135 B 1 c
ATOM 2513 H HE1  . PHE Bxp B 68 ? 46.119 28.193  27.938 1   107.132 ? 135 B 1 c
ATOM 2514 H HE2  . PHE Bxp B 68 ? 43.692 25.81   30.08  1   111.488 ? 135 B 1 c
ATOM 2515 H HZ   . PHE Bxp B 68 ? 45.307 27.473  29.988 1   108.266 ? 135 B 1 c
ATOM 2516 N N    . GLY Bxp B 69 ? 45.278 25.041  22.506 1   79.63   ? 136 B 1 .
ATOM 2517 C CA   . GLY Bxp B 69 ? 45.79  23.98   21.661 1   86.707  ? 136 B 1 .
ATOM 2518 C C    . GLY Bxp B 69 ? 47.288 23.782  21.878 1   87.861  ? 136 B 1 .
ATOM 2519 O O    . GLY Bxp B 69 ? 47.854 24.345  22.808 1   95.096  ? 136 B 1 .
ATOM 2520 H H    . GLY Bxp B 69 ? 45.777 25.803  22.589 1   83.172  ? 136 B 1 c
ATOM 2521 H HA3  . GLY Bxp B 69 ? 45.619 24.205  20.719 1   85.432  ? 136 B 1 c
ATOM 2522 H HA2  . GLY Bxp B 69 ? 45.317 23.142  21.866 1   85.338  ? 136 B 1 c
ATOM 2523 N N    . VAL Bxp B 70 ? 47.915 22.979  21.005 1   86.933  ? 137 B 1 .
ATOM 2524 C CA   . VAL Bxp B 70 ? 49.342 22.717  21.061 1   79.523  ? 137 B 1 .
ATOM 2525 C C    . VAL Bxp B 70 ? 49.944 22.859  19.677 1   78.656  ? 137 B 1 .
ATOM 2526 O O    . VAL Bxp B 70 ? 49.461 22.213  18.762 1   79.505  ? 137 B 1 .
ATOM 2527 C CB   . VAL Bxp B 70 ? 49.627 21.289  21.535 1   87.699  ? 137 B 1 .
ATOM 2528 C CG1  . VAL Bxp B 70 ? 51.079 21.157  21.953 1   101.217 ? 137 B 1 .
ATOM 2529 C CG2  . VAL Bxp B 70 ? 48.705 20.875  22.658 1   95.349  ? 137 B 1 .
ATOM 2530 H H    . VAL Bxp B 70 ? 47.425 22.577  20.346 1   85.376  ? 137 B 1 c
ATOM 2531 H HA   . VAL Bxp B 70 ? 49.766 23.352  21.668 1   82.511  ? 137 B 1 c
ATOM 2532 H HB   . VAL Bxp B 70 ? 49.469 20.685  20.772 1   89.721  ? 137 B 1 c
ATOM 2533 H HG11 . VAL Bxp B 70 ? 51.278 21.808  22.646 1   96.742  ? 137 B 1 c
ATOM 2534 H HG12 . VAL Bxp B 70 ? 51.654 21.316  21.187 1   96.669  ? 137 B 1 c
ATOM 2535 H HG13 . VAL Bxp B 70 ? 51.239 20.262  22.295 1   96.864  ? 137 B 1 c
ATOM 2536 H HG21 . VAL Bxp B 70 ? 49.118 20.16   23.168 1   92.647  ? 137 B 1 c
ATOM 2537 H HG22 . VAL Bxp B 70 ? 47.861 20.564  22.288 1   92.747  ? 137 B 1 c
ATOM 2538 H HG23 . VAL Bxp B 70 ? 48.542 21.634  23.242 1   92.762  ? 137 B 1 c
ATOM 2539 N N    . ARG Bxp B 71 ? 51.027 23.631  19.545 1   84.507  ? 138 B 1 .
ATOM 2540 C CA   . ARG Bxp B 71 ? 51.874 23.504  18.369 1   96.641  ? 138 B 1 .
ATOM 2541 C C    . ARG Bxp B 71 ? 52.86  22.387  18.683 1   87.571  ? 138 B 1 .
ATOM 2542 O O    . ARG Bxp B 71 ? 53.46  22.401  19.749 1   84.089  ? 138 B 1 .
ATOM 2543 C CB   . ARG Bxp B 71 ? 52.593 24.8    17.96  1   114.396 ? 138 B 1 .
ATOM 2544 C CG   . ARG Bxp B 71 ? 53.18  24.842  16.545 1   125.108 ? 138 B 1 .
ATOM 2545 C CD   . ARG Bxp B 71 ? 53.974 26.088  16.146 1   118.104 ? 138 B 1 .
ATOM 2546 N NE   . ARG Bxp B 71 ? 54.955 26.398  17.191 1   114.757 ? 138 B 1 .
ATOM 2547 C CZ   . ARG Bxp B 71 ? 54.701 27.089  18.3   1   126.243 ? 138 B 1 .
ATOM 2548 N NH1  . ARG Bxp B 71 ? 53.657 27.903  18.34  1   133.644 ? 138 B 1 .
ATOM 2549 N NH2  . ARG Bxp B 71 ? 55.535 27.026  19.332 1   128.754 ? 138 B 1 .
ATOM 2550 H H    . ARG Bxp B 71 ? 51.241 24.243  20.189 1   85.546  ? 138 B 1 c
ATOM 2551 H HA   . ARG Bxp B 71 ? 51.308 23.221  17.609 1   94.943  ? 138 B 1 c
ATOM 2552 H HB3  . ARG Bxp B 71 ? 53.318 24.954  18.601 1   112.289 ? 138 B 1 c
ATOM 2553 H HB2  . ARG Bxp B 71 ? 51.957 25.541  18.052 1   112.455 ? 138 B 1 c
ATOM 2554 H HG3  . ARG Bxp B 71 ? 52.449 24.727  15.903 1   120.615 ? 138 B 1 c
ATOM 2555 H HG2  . ARG Bxp B 71 ? 53.764 24.061  16.434 1   120.748 ? 138 B 1 c
ATOM 2556 H HD3  . ARG Bxp B 71 ? 53.368 26.848  16.027 1   118.934 ? 138 B 1 c
ATOM 2557 H HD2  . ARG Bxp B 71 ? 54.439 25.929  15.299 1   118.841 ? 138 B 1 c
ATOM 2558 H HE   . ARG Bxp B 71 ? 55.769 26.11   17.08  1   118.233 ? 138 B 1 c
ATOM 2559 H HH11 . ARG Bxp B 71 ? 52.839 27.577  18.297 1   130.647 ? 138 B 1 c
ATOM 2560 H HH12 . ARG Bxp B 71 ? 53.787 28.774  18.409 1   131.162 ? 138 B 1 c
ATOM 2561 H HH21 . ARG Bxp B 71 ? 56.008 26.291  19.47  1   127.986 ? 138 B 1 c
ATOM 2562 H HH22 . ARG Bxp B 71 ? 55.614 27.718  19.876 1   128.017 ? 138 B 1 c
ATOM 2563 N N    . ILE Bxp B 72 ? 52.991 21.413  17.775 1   83.593  ? 139 B 1 .
ATOM 2564 C CA   . ILE Bxp B 72 ? 53.808 20.247  18.042 1   82.753  ? 139 B 1 .
ATOM 2565 C C    . ILE Bxp B 72 ? 55.275 20.563  17.771 1   81.643  ? 139 B 1 .
ATOM 2566 O O    . ILE Bxp B 72 ? 55.683 20.729  16.638 1   81.024  ? 139 B 1 .
ATOM 2567 C CB   . ILE Bxp B 72 ? 53.326 19.05   17.221 1   85.07   ? 139 B 1 .
ATOM 2568 C CG1  . ILE Bxp B 72 ? 51.906 18.684  17.615 1   89.277  ? 139 B 1 .
ATOM 2569 C CG2  . ILE Bxp B 72 ? 54.294 17.876  17.381 1   86.6    ? 139 B 1 .
ATOM 2570 C CD1  . ILE Bxp B 72 ? 51.302 17.591  16.758 1   95.605  ? 139 B 1 .
ATOM 2571 H H    . ILE Bxp B 72 ? 52.562 21.48   16.971 1   84.507  ? 139 B 1 c
ATOM 2572 H HA   . ILE Bxp B 72 ? 53.711 20.018  18.986 1   83.248  ? 139 B 1 c
ATOM 2573 H HB   . ILE Bxp B 72 ? 53.319 19.313  16.279 1   85.727  ? 139 B 1 c
ATOM 2574 H HG12 . ILE Bxp B 72 ? 51.343 19.482  17.549 1   89.667  ? 139 B 1 c
ATOM 2575 H HG13 . ILE Bxp B 72 ? 51.904 18.391  18.549 1   89.717  ? 139 B 1 c
ATOM 2576 H HG21 . ILE Bxp B 72 ? 53.838 17.044  17.175 1   86.246  ? 139 B 1 c
ATOM 2577 H HG22 . ILE Bxp B 72 ? 54.622 17.845  18.295 1   86.111  ? 139 B 1 c
ATOM 2578 H HG23 . ILE Bxp B 72 ? 55.045 17.988  16.774 1   86.139  ? 139 B 1 c
ATOM 2579 H HD11 . ILE Bxp B 72 ? 51.846 17.454  15.959 1   93.62   ? 139 B 1 c
ATOM 2580 H HD12 . ILE Bxp B 72 ? 50.4   17.853  16.494 1   94.045  ? 139 B 1 c
ATOM 2581 H HD13 . ILE Bxp B 72 ? 51.262 16.76   17.269 1   93.896  ? 139 B 1 c
ATOM 2582 N N    . THR Bxp B 73 ? 56.06  20.584  18.843 1   90.515  ? 140 B 1 .
ATOM 2583 C CA   . THR Bxp B 73 ? 57.487 20.839  18.808 1   92.938  ? 140 B 1 .
ATOM 2584 C C    . THR Bxp B 73 ? 58.177 19.645  18.15  1   94.948  ? 140 B 1 .
ATOM 2585 O O    . THR Bxp B 73 ? 58.973 19.832  17.246 1   112.313 ? 140 B 1 .
ATOM 2586 C CB   . THR Bxp B 73 ? 58.01  21.059  20.236 1   114.356 ? 140 B 1 .
ATOM 2587 O OG1  . THR Bxp B 73 ? 57.479 22.251  20.805 1   112.788 ? 140 B 1 .
ATOM 2588 C CG2  . THR Bxp B 73 ? 59.522 21.203  20.325 1   126.392 ? 140 B 1 .
ATOM 2589 H H    . THR Bxp B 73 ? 55.682 20.397  19.651 1   88.98   ? 140 B 1 c
ATOM 2590 H HA   . THR Bxp B 73 ? 57.654 21.647  18.275 1   96.476  ? 140 B 1 c
ATOM 2591 H HB   . THR Bxp B 73 ? 57.741 20.291  20.795 1   111.718 ? 140 B 1 c
ATOM 2592 H HG1  . THR Bxp B 73 ? 57.701 22.994  20.222 0   108.2   ? 140 B 1 c
ATOM 2593 H HG21 . THR Bxp B 73 ? 59.835 20.819  21.161 1   122.585 ? 140 B 1 c
ATOM 2594 H HG22 . THR Bxp B 73 ? 59.761 22.144  20.294 1   122.534 ? 140 B 1 c
ATOM 2595 H HG23 . THR Bxp B 73 ? 59.942 20.74   19.581 1   122.252 ? 140 B 1 c
ATOM 2596 N N    . GLU Bxp B 74 ? 57.901 18.424  18.624 1   97.08   ? 141 B 1 .
ATOM 2597 C CA   . GLU Bxp B 74 ? 58.663 17.254  18.209 1   104.347 ? 141 B 1 .
ATOM 2598 C C    . GLU Bxp B 74 ? 57.785 16.003  18.255 1   104.627 ? 141 B 1 .
ATOM 2599 O O    . GLU Bxp B 74 ? 56.926 15.872  19.121 1   98.724  ? 141 B 1 .
ATOM 2600 C CB   . GLU Bxp B 74 ? 59.936 17.112  19.043 1   111.6   ? 141 B 1 .
ATOM 2601 C CG   . GLU Bxp B 74 ? 59.832 17.707  20.447 1   120.221 ? 141 B 1 .
ATOM 2602 C CD   . GLU Bxp B 74 ? 60.484 16.872  21.541 1   139.17  ? 141 B 1 .
ATOM 2603 O OE1  . GLU Bxp B 74 ? 60.22  15.647  21.517 1   166.443 ? 141 B 1 .
ATOM 2604 O OE2  . GLU Bxp B 74 ? 61.19  17.406  22.439 1   127.146 ? 141 B 1 .
ATOM 2605 H H    . GLU Bxp B 74 ? 57.216 18.316  19.22  1   98.279  ? 141 B 1 c
ATOM 2606 H HA   . GLU Bxp B 74 ? 58.94  17.391  17.271 1   104.761 ? 141 B 1 c
ATOM 2607 H HB3  . GLU Bxp B 74 ? 60.669 17.562  18.573 1   111.859 ? 141 B 1 c
ATOM 2608 H HB2  . GLU Bxp B 74 ? 60.166 16.162  19.107 1   112.143 ? 141 B 1 c
ATOM 2609 H HG3  . GLU Bxp B 74 ? 58.887 17.826  20.677 1   121.784 ? 141 B 1 c
ATOM 2610 H HG2  . GLU Bxp B 74 ? 60.25  18.593  20.446 1   122.183 ? 141 B 1 c
ATOM 2611 N N    . ILE Bxp B 75 ? 58.003 15.082  17.309 1   95.443  ? 142 B 1 .
ATOM 2612 C CA   . ILE Bxp B 75 ? 57.096 13.964  17.134 1   90.052  ? 142 B 1 .
ATOM 2613 C C    . ILE Bxp B 75 ? 57.854 12.743  16.634 1   104.657 ? 142 B 1 .
ATOM 2614 O O    . ILE Bxp B 75 ? 58.849 12.854  15.921 1   138.015 ? 142 B 1 .
ATOM 2615 C CB   . ILE Bxp B 75 ? 55.961 14.31   16.161 1   90.796  ? 142 B 1 .
ATOM 2616 C CG1  . ILE Bxp B 75 ? 54.795 13.358  16.321 1   91.507  ? 142 B 1 .
ATOM 2617 C CG2  . ILE Bxp B 75 ? 56.463 14.323  14.717 1   107.848 ? 142 B 1 .
ATOM 2618 C CD1  . ILE Bxp B 75 ? 53.602 13.699  15.447 1   97.963  ? 142 B 1 .
ATOM 2619 H H    . ILE Bxp B 75 ? 58.736 15.149  16.768 1   96.831  ? 142 B 1 c
ATOM 2620 H HA   . ILE Bxp B 75 ? 56.702 13.749  18.002 1   93.969  ? 142 B 1 c
ATOM 2621 H HB   . ILE Bxp B 75 ? 55.644 15.209  16.379 1   93.747  ? 142 B 1 c
ATOM 2622 H HG12 . ILE Bxp B 75 ? 54.51  13.361  17.257 1   92.459  ? 142 B 1 c
ATOM 2623 H HG13 . ILE Bxp B 75 ? 55.092 12.453  16.101 1   92.919  ? 142 B 1 c
ATOM 2624 H HG21 . ILE Bxp B 75 ? 55.887 14.891  14.178 1   102.458 ? 142 B 1 c
ATOM 2625 H HG22 . ILE Bxp B 75 ? 56.451 13.421  14.357 1   102.452 ? 142 B 1 c
ATOM 2626 H HG23 . ILE Bxp B 75 ? 57.371 14.67   14.688 1   102.562 ? 142 B 1 c
ATOM 2627 H HD11 . ILE Bxp B 75 ? 53.252 14.573  15.704 1   96.097  ? 142 B 1 c
ATOM 2628 H HD12 . ILE Bxp B 75 ? 52.908 13.024  15.569 1   96.097  ? 142 B 1 c
ATOM 2629 H HD13 . ILE Bxp B 75 ? 53.868 13.721  14.509 1   96.382  ? 142 B 1 c
ATOM 2630 N N    . VAL Bxp B 76 ? 57.305 11.583  17.001 1   104.889 ? 143 B 1 .
ATOM 2631 C CA   . VAL Bxp B 76 ? 57.695 10.28   16.498 1   95.199  ? 143 B 1 .
ATOM 2632 C C    . VAL Bxp B 76 ? 57.284 10.131  15.035 1   105.495 ? 143 B 1 .
ATOM 2633 O O    . VAL Bxp B 76 ? 56.379 10.824  14.567 1   98.516  ? 143 B 1 .
ATOM 2634 C CB   . VAL Bxp B 76 ? 56.996 9.249   17.404 1   94.919  ? 143 B 1 .
ATOM 2635 C CG1  . VAL Bxp B 76 ? 56.486 8.031   16.652 1   107.347 ? 143 B 1 .
ATOM 2636 C CG2  . VAL Bxp B 76 ? 57.888 8.827   18.555 1   98.74   ? 143 B 1 .
ATOM 2637 H H    . VAL Bxp B 76 ? 56.635 11.614  17.622 1   102.127 ? 143 B 1 c
ATOM 2638 H HA   . VAL Bxp B 76 ? 58.664 10.181  16.577 1   98.887  ? 143 B 1 c
ATOM 2639 H HB   . VAL Bxp B 76 ? 56.207 9.692   17.795 1   98.006  ? 143 B 1 c
ATOM 2640 H HG11 . VAL Bxp B 76 ? 57.233 7.552   16.271 1   104.168 ? 143 B 1 c
ATOM 2641 H HG12 . VAL Bxp B 76 ? 55.887 8.312   15.945 1   103.899 ? 143 B 1 c
ATOM 2642 H HG13 . VAL Bxp B 76 ? 56.008 7.448   17.265 1   103.711 ? 143 B 1 c
ATOM 2643 H HG21 . VAL Bxp B 76 ? 57.418 8.182   19.111 1   97.596  ? 143 B 1 c
ATOM 2644 H HG22 . VAL Bxp B 76 ? 58.12  9.605   19.089 1   97.596  ? 143 B 1 c
ATOM 2645 H HG23 . VAL Bxp B 76 ? 58.7   8.421   18.206 1   97.602  ? 143 B 1 c
ATOM 2646 N N    . SER Bxp B 77 ? 57.936 9.188   14.342 1   114.752 ? 144 B 1 .
ATOM 2647 C CA   . SER Bxp B 77 ? 57.664 8.921   12.939 1   116.565 ? 144 B 1 .
ATOM 2648 C C    . SER Bxp B 77 ? 56.349 8.166   12.794 1   110.642 ? 144 B 1 .
ATOM 2649 O O    . SER Bxp B 77 ? 55.948 7.427   13.686 1   103.491 ? 144 B 1 .
ATOM 2650 C CB   . SER Bxp B 77 ? 58.763 8.129   12.304 1   124.757 ? 144 B 1 .
ATOM 2651 O OG   . SER Bxp B 77 ? 58.396 6.757   12.238 1   115.038 ? 144 B 1 .
ATOM 2652 H H    . SER Bxp B 77 ? 58.578 8.694   14.764 1   112.807 ? 144 B 1 c
ATOM 2653 H HA   . SER Bxp B 77 ? 57.585 9.788   12.467 1   116.429 ? 144 B 1 c
ATOM 2654 H HB3  . SER Bxp B 77 ? 59.581 8.224   12.827 1   120.4   ? 144 B 1 c
ATOM 2655 H HB2  . SER Bxp B 77 ? 58.933 8.467   11.405 1   120.461 ? 144 B 1 c
ATOM 2656 H HG   . SER Bxp B 77 ? 59.082 6.368   11.778 0   118.24  ? 144 B 1 c
ATOM 2657 N N    . PRO Bxp B 78 ? 55.683 8.256   11.624 1   112.822 ? 145 B 1 .
ATOM 2658 C CA   . PRO Bxp B 78 ? 54.354 7.684   11.464 1   109.779 ? 145 B 1 .
ATOM 2659 C C    . PRO Bxp B 78 ? 54.323 6.178   11.692 1   116.79  ? 145 B 1 .
ATOM 2660 O O    . PRO Bxp B 78 ? 53.32  5.677   12.178 1   113.322 ? 145 B 1 .
ATOM 2661 C CB   . PRO Bxp B 78 ? 53.962 8.065   10.049 1   113.574 ? 145 B 1 .
ATOM 2662 C CG   . PRO Bxp B 78 ? 55.31  8.214   9.358  1   122.582 ? 145 B 1 .
ATOM 2663 C CD   . PRO Bxp B 78 ? 56.201 8.844   10.381 1   118.737 ? 145 B 1 .
ATOM 2664 H HA   . PRO Bxp B 78 ? 53.741 8.117   12.094 1   112.322 ? 145 B 1 c
ATOM 2665 H HB3  . PRO Bxp B 78 ? 53.464 8.906   10.036 1   114.659 ? 145 B 1 c
ATOM 2666 H HB2  . PRO Bxp B 78 ? 53.426 7.364   9.63   1   114.669 ? 145 B 1 c
ATOM 2667 H HG3  . PRO Bxp B 78 ? 55.236 8.785   8.567  1   119.624 ? 145 B 1 c
ATOM 2668 H HG2  . PRO Bxp B 78 ? 55.66  7.342   9.086  1   119.624 ? 145 B 1 c
ATOM 2669 H HD3  . PRO Bxp B 78 ? 57.133 8.602   10.237 1   118.229 ? 145 B 1 c
ATOM 2670 H HD2  . PRO Bxp B 78 ? 56.111 9.817   10.389 1   118.191 ? 145 B 1 c
ATOM 2671 N N    . LYS Bxp B 79 ? 55.428 5.478   11.378 1   128.872 ? 146 B 1 .
ATOM 2672 C CA   . LYS Bxp B 79 ? 55.517 4.034   11.572 1   136.921 ? 146 B 1 .
ATOM 2673 C C    . LYS Bxp B 79 ? 55.412 3.726   13.07  1   120.755 ? 146 B 1 .
ATOM 2674 O O    . LYS Bxp B 79 ? 54.591 2.907   13.49  1   116.82  ? 146 B 1 .
ATOM 2675 C CB   . LYS Bxp B 79 ? 56.782 3.422   10.936 1   148.186 ? 146 B 1 .
ATOM 2676 C CG   . LYS Bxp B 79 ? 57.923 3.048   11.905 1   166.07  ? 146 B 1 .
ATOM 2677 C CD   . LYS Bxp B 79 ? 59.369 3.104   11.422 1   169.14  ? 146 B 1 .
ATOM 2678 C CE   . LYS Bxp B 79 ? 59.899 1.816   10.877 1   161.805 ? 146 B 1 .
ATOM 2679 N NZ   . LYS Bxp B 79 ? 59.297 1.487   9.582  1   168.996 ? 146 B 1 .
ATOM 2680 H H    . LYS Bxp B 79 ? 56.148 5.916   11.024 1   127.57  ? 146 B 1 c
ATOM 2681 H HA   . LYS Bxp B 79 ? 54.735 3.623   11.124 1   133.954 ? 146 B 1 c
ATOM 2682 H HB3  . LYS Bxp B 79 ? 57.136 4.056   10.277 1   149.177 ? 146 B 1 c
ATOM 2683 H HB2  . LYS Bxp B 79 ? 56.518 2.611   10.45  1   149.332 ? 146 B 1 c
ATOM 2684 H HG3  . LYS Bxp B 79 ? 57.747 2.138   12.228 1   162.079 ? 146 B 1 c
ATOM 2685 H HG2  . LYS Bxp B 79 ? 57.857 3.634   12.684 1   161.268 ? 146 B 1 c
ATOM 2686 H HD3  . LYS Bxp B 79 ? 59.936 3.386   12.172 1   166.691 ? 146 B 1 c
ATOM 2687 H HD2  . LYS Bxp B 79 ? 59.44  3.795   10.727 1   166.594 ? 146 B 1 c
ATOM 2688 H HE3  . LYS Bxp B 79 ? 59.716 1.095   11.505 1   165.12  ? 146 B 1 c
ATOM 2689 H HE2  . LYS Bxp B 79 ? 60.865 1.884   10.767 1   165.139 ? 146 B 1 c
ATOM 2690 H HZ1  . LYS Bxp B 79 ? 59.402 2.18    9.008  1   166.761 ? 146 B 1 c
ATOM 2691 H HZ2  . LYS Bxp B 79 ? 58.413 1.319   9.688  1   166.749 ? 146 B 1 c
ATOM 2692 H HZ3  . LYS Bxp B 79 ? 59.699 0.752   9.237  1   166.752 ? 146 B 1 c
ATOM 2693 N N    . GLU Bxp B 80 ? 56.226 4.416   13.879 1   112.657 ? 147 B 1 .
ATOM 2694 C CA   . GLU Bxp B 80 ? 56.363 4.083   15.289 1   116.056 ? 147 B 1 .
ATOM 2695 C C    . GLU Bxp B 80 ? 55.206 4.69    16.071 1   103.803 ? 147 B 1 .
ATOM 2696 O O    . GLU Bxp B 80 ? 54.997 4.358   17.227 1   111.318 ? 147 B 1 .
ATOM 2697 C CB   . GLU Bxp B 80 ? 57.721 4.463   15.884 1   122.258 ? 147 B 1 .
ATOM 2698 C CG   . GLU Bxp B 80 ? 58.426 5.592   15.138 1   122.821 ? 147 B 1 .
ATOM 2699 C CD   . GLU Bxp B 80 ? 59.468 6.326   15.959 1   141.868 ? 147 B 1 .
ATOM 2700 O OE1  . GLU Bxp B 80 ? 59.733 5.945   17.131 1   145.144 ? 147 B 1 .
ATOM 2701 O OE2  . GLU Bxp B 80 ? 59.989 7.318   15.399 1   137.881 ? 147 B 1 .
ATOM 2702 H H    . GLU Bxp B 80 ? 56.686 5.13    13.543 1   116.047 ? 147 B 1 c
ATOM 2703 H HA   . GLU Bxp B 80 ? 56.296 3.103   15.365 1   114.452 ? 147 B 1 c
ATOM 2704 H HB3  . GLU Bxp B 80 ? 58.299 3.672   15.876 1   120.96  ? 147 B 1 c
ATOM 2705 H HB2  . GLU Bxp B 80 ? 57.591 4.727   16.819 1   121.019 ? 147 B 1 c
ATOM 2706 H HG3  . GLU Bxp B 80 ? 57.762 6.241   14.833 1   126.172 ? 147 B 1 c
ATOM 2707 H HG2  . GLU Bxp B 80 ? 58.865 5.221   14.343 1   126.574 ? 147 B 1 c
ATOM 2708 N N    . ARG Bxp B 81 ? 54.465 5.6     15.446 1   101.549 ? 148 B 1 .
ATOM 2709 C CA   . ARG Bxp B 81 ? 53.207 6.04    16.017 1   106.91  ? 148 B 1 .
ATOM 2710 C C    . ARG Bxp B 81 ? 52.254 4.861   16.051 1   102.053 ? 148 B 1 .
ATOM 2711 O O    . ARG Bxp B 81 ? 51.545 4.679   17.023 1   100.569 ? 148 B 1 .
ATOM 2712 C CB   . ARG Bxp B 81 ? 52.524 7.133   15.195 1   122.776 ? 148 B 1 .
ATOM 2713 C CG   . ARG Bxp B 81 ? 53.098 8.504   15.494 1   119.611 ? 148 B 1 .
ATOM 2714 C CD   . ARG Bxp B 81 ? 52.476 9.522   14.585 1   106.205 ? 148 B 1 .
ATOM 2715 N NE   . ARG Bxp B 81 ? 53.545 10.372  14.07  1   88.919  ? 148 B 1 .
ATOM 2716 C CZ   . ARG Bxp B 81 ? 53.33  11.228  13.115 1   100.666 ? 148 B 1 .
ATOM 2717 N NH1  . ARG Bxp B 81 ? 52.102 11.389  12.652 1   96.874  ? 148 B 1 .
ATOM 2718 N NH2  . ARG Bxp B 81 ? 54.349 11.914  12.639 1   122.139 ? 148 B 1 .
ATOM 2719 H H    . ARG Bxp B 81 ? 54.752 5.972   14.663 1   103.816 ? 148 B 1 c
ATOM 2720 H HA   . ARG Bxp B 81 ? 53.367 6.361   16.941 1   107.597 ? 148 B 1 c
ATOM 2721 H HB3  . ARG Bxp B 81 ? 51.563 7.137   15.394 1   118.136 ? 148 B 1 c
ATOM 2722 H HB2  . ARG Bxp B 81 ? 52.636 6.937   14.241 1   118.03  ? 148 B 1 c
ATOM 2723 H HG3  . ARG Bxp B 81 ? 54.066 8.489   15.352 1   116.45  ? 148 B 1 c
ATOM 2724 H HG2  . ARG Bxp B 81 ? 52.916 8.745   16.428 1   116.756 ? 148 B 1 c
ATOM 2725 H HD3  . ARG Bxp B 81 ? 51.83  10.069  15.079 1   104.634 ? 148 B 1 c
ATOM 2726 H HD2  . ARG Bxp B 81 ? 52.013 9.085   13.841 1   104.73  ? 148 B 1 c
ATOM 2727 H HE   . ARG Bxp B 81 ? 54.345 10.314  14.412 1   96.029  ? 148 B 1 c
ATOM 2728 H HH11 . ARG Bxp B 81 ? 51.472 11.735  13.167 1   98.102  ? 148 B 1 c
ATOM 2729 H HH12 . ARG Bxp B 81 ? 51.927 11.153  11.823 1   98.173  ? 148 B 1 c
ATOM 2730 H HH21 . ARG Bxp B 81 ? 55.145 11.534  12.575 1   114.646 ? 148 B 1 c
ATOM 2731 H HH22 . ARG Bxp B 81 ? 54.232 12.752  12.382 1   114.817 ? 148 B 1 c
ATOM 2732 N N    . LEU Bxp B 82 ? 52.25  4.094   14.96  1   119.817 ? 149 B 1 .
ATOM 2733 C CA   . LEU Bxp B 82 ? 51.396 2.93    14.822 1   116.636 ? 149 B 1 .
ATOM 2734 C C    . LEU Bxp B 82 ? 51.932 1.764   15.637 1   110.863 ? 149 B 1 .
ATOM 2735 O O    . LEU Bxp B 82 ? 51.148 0.895   16.01  1   101.497 ? 149 B 1 .
ATOM 2736 C CB   . LEU Bxp B 82 ? 51.259 2.563   13.35  1   109.508 ? 149 B 1 .
ATOM 2737 C CG   . LEU Bxp B 82 ? 49.991 3.121   12.719 1   113.663 ? 149 B 1 .
ATOM 2738 C CD1  . LEU Bxp B 82 ? 50     2.992   11.215 1   130.267 ? 149 B 1 .
ATOM 2739 C CD2  . LEU Bxp B 82 ? 48.846 2.372   13.368 1   124.364 ? 149 B 1 .
ATOM 2740 H H    . LEU Bxp B 82 ? 52.803 4.313   14.267 1   114.437 ? 149 B 1 c
ATOM 2741 H HA   . LEU Bxp B 82 ? 50.504 3.166   15.18  1   114.762 ? 149 B 1 c
ATOM 2742 H HB3  . LEU Bxp B 82 ? 51.251 1.582   13.267 1   112.183 ? 149 B 1 c
ATOM 2743 H HB2  . LEU Bxp B 82 ? 52.037 2.916   12.86  1   112.152 ? 149 B 1 c
ATOM 2744 H HG   . LEU Bxp B 82 ? 49.917 4.082   12.956 1   117.743 ? 149 B 1 c
ATOM 2745 H HD11 . LEU Bxp B 82 ? 50.731 3.516   10.848 1   125.084 ? 149 B 1 c
ATOM 2746 H HD12 . LEU Bxp B 82 ? 49.157 3.317   10.856 1   125.064 ? 149 B 1 c
ATOM 2747 H HD13 . LEU Bxp B 82 ? 50.116 2.058   10.97  1   125.085 ? 149 B 1 c
ATOM 2748 H HD21 . LEU Bxp B 82 ? 48.539 2.86    14.151 1   121.026 ? 149 B 1 c
ATOM 2749 H HD22 . LEU Bxp B 82 ? 49.14  1.485   13.636 1   120.948 ? 149 B 1 c
ATOM 2750 H HD23 . LEU Bxp B 82 ? 48.113 2.289   12.735 1   121.125 ? 149 B 1 c
ATOM 2751 N N    . GLU Bxp B 83 ? 53.257 1.747   15.85  1   106.58  ? 150 B 1 .
ATOM 2752 C CA   . GLU Bxp B 83 ? 53.88  0.872   16.83  1   117.793 ? 150 B 1 .
ATOM 2753 C C    . GLU Bxp B 83 ? 53.267 1.186   18.189 1   113.651 ? 150 B 1 .
ATOM 2754 O O    . GLU Bxp B 83 ? 52.313 0.536   18.606 1   105.542 ? 150 B 1 .
ATOM 2755 C CB   . GLU Bxp B 83 ? 55.404 1.022   16.912 1   137.558 ? 150 B 1 .
ATOM 2756 C CG   . GLU Bxp B 83 ? 56.192 -0.21   16.475 1   146.439 ? 150 B 1 .
ATOM 2757 C CD   . GLU Bxp B 83 ? 56.725 -0.139  15.052 1   161.745 ? 150 B 1 .
ATOM 2758 O OE1  . GLU Bxp B 83 ? 57.767 0.537   14.842 1   147.815 ? 150 B 1 .
ATOM 2759 O OE2  . GLU Bxp B 83 ? 56.076 -0.732  14.155 1   161.293 ? 150 B 1 .
ATOM 2760 H H    . GLU Bxp B 83 ? 53.793 2.294   15.351 1   110.472 ? 150 B 1 c
ATOM 2761 H HA   . GLU Bxp B 83 ? 53.657 -0.064  16.593 1   118.359 ? 150 B 1 c
ATOM 2762 H HB3  . GLU Bxp B 83 ? 55.66  1.215   17.837 1   134.165 ? 150 B 1 c
ATOM 2763 H HB2  . GLU Bxp B 83 ? 55.676 1.781   16.366 1   134.07  ? 150 B 1 c
ATOM 2764 H HG3  . GLU Bxp B 83 ? 55.62  -1.003  16.554 1   147.346 ? 150 B 1 c
ATOM 2765 H HG2  . GLU Bxp B 83 ? 56.951 -0.334  17.084 1   147.634 ? 150 B 1 c
ATOM 2766 N N    . LEU Bxp B 84 ? 53.758 2.273   18.801 1   113.926 ? 151 B 1 .
ATOM 2767 C CA   . LEU Bxp B 84 ? 53.405 2.679   20.152 1   100.715 ? 151 B 1 .
ATOM 2768 C C    . LEU Bxp B 84 ? 51.902 2.524   20.363 1   99.363  ? 151 B 1 .
ATOM 2769 O O    . LEU Bxp B 84 ? 51.452 2.291   21.475 1   111.229 ? 151 B 1 .
ATOM 2770 C CB   . LEU Bxp B 84 ? 53.883 4.113   20.391 1   92.484  ? 151 B 1 .
ATOM 2771 C CG   . LEU Bxp B 84 ? 55.366 4.278   20.762 1   114.755 ? 151 B 1 .
ATOM 2772 C CD1  . LEU Bxp B 84 ? 56.429 4.028   19.675 1   120.015 ? 151 B 1 .
ATOM 2773 C CD2  . LEU Bxp B 84 ? 55.587 5.669   21.316 1   119.61  ? 151 B 1 .
ATOM 2774 H H    . LEU Bxp B 84 ? 54.319 2.816   18.326 1   110.996 ? 151 B 1 c
ATOM 2775 H HA   . LEU Bxp B 84 ? 53.871 2.075   20.785 1   101.337 ? 151 B 1 c
ATOM 2776 H HB3  . LEU Bxp B 84 ? 53.338 4.501   21.113 1   99.29   ? 151 B 1 c
ATOM 2777 H HB2  . LEU Bxp B 84 ? 53.706 4.636   19.575 1   99.286  ? 151 B 1 c
ATOM 2778 H HG   . LEU Bxp B 84 ? 55.557 3.642   21.499 1   112.049 ? 151 B 1 c
ATOM 2779 H HD11 . LEU Bxp B 84 ? 56.227 3.204   19.203 1   118.316 ? 151 B 1 c
ATOM 2780 H HD12 . LEU Bxp B 84 ? 57.304 3.953   20.091 1   118.414 ? 151 B 1 c
ATOM 2781 H HD13 . LEU Bxp B 84 ? 56.434 4.769   19.048 1   118.382 ? 151 B 1 c
ATOM 2782 H HD21 . LEU Bxp B 84 ? 55.064 5.783   22.128 1   118.011 ? 151 B 1 c
ATOM 2783 H HD22 . LEU Bxp B 84 ? 55.308 6.329   20.658 1   118.118 ? 151 B 1 c
ATOM 2784 H HD23 . LEU Bxp B 84 ? 56.529 5.793   21.518 1   118.127 ? 151 B 1 c
ATOM 2785 N N    . LEU Bxp B 85 ? 51.14  2.625   19.275 1   104.213 ? 152 B 1 .
ATOM 2786 C CA   . LEU Bxp B 85 ? 49.692 2.639   19.336 1   108.189 ? 152 B 1 .
ATOM 2787 C C    . LEU Bxp B 85 ? 49.19  1.217   19.552 1   112.117 ? 152 B 1 .
ATOM 2788 O O    . LEU Bxp B 85 ? 49.037 0.797   20.687 1   111.105 ? 152 B 1 .
ATOM 2789 C CB   . LEU Bxp B 85 ? 49.191 3.274   18.035 1   122.261 ? 152 B 1 .
ATOM 2790 C CG   . LEU Bxp B 85 ? 47.917 4.115   18.116 1   114.112 ? 152 B 1 .
ATOM 2791 C CD1  . LEU Bxp B 85 ? 46.701 3.32    18.557 1   118.754 ? 152 B 1 .
ATOM 2792 C CD2  . LEU Bxp B 85 ? 48.207 5.252   19.064 1   126.641 ? 152 B 1 .
ATOM 2793 H H    . LEU Bxp B 85 ? 51.539 2.711   18.458 1   104.279 ? 152 B 1 c
ATOM 2794 H HA   . LEU Bxp B 85 ? 49.415 3.197   20.106 1   110.61  ? 152 B 1 c
ATOM 2795 H HB3  . LEU Bxp B 85 ? 49.048 2.563   17.371 1   117.557 ? 152 B 1 c
ATOM 2796 H HB2  . LEU Bxp B 85 ? 49.906 3.844   17.678 1   116.834 ? 152 B 1 c
ATOM 2797 H HG   . LEU Bxp B 85 ? 47.735 4.495   17.218 1   118.725 ? 152 B 1 c
ATOM 2798 H HD11 . LEU Bxp B 85 ? 46.557 2.58    17.945 1   117.354 ? 152 B 1 c
ATOM 2799 H HD12 . LEU Bxp B 85 ? 45.918 3.897   18.556 1   117.354 ? 152 B 1 c
ATOM 2800 H HD13 . LEU Bxp B 85 ? 46.845 2.974   19.454 1   117.329 ? 152 B 1 c
ATOM 2801 H HD21 . LEU Bxp B 85 ? 49.157 5.456   19.052 1   122.571 ? 152 B 1 c
ATOM 2802 H HD22 . LEU Bxp B 85 ? 47.943 5.001   19.965 1   122.544 ? 152 B 1 c
ATOM 2803 H HD23 . LEU Bxp B 85 ? 47.706 6.037   18.789 1   122.484 ? 152 B 1 c
ATOM 2804 N N    . ASN Bxp B 86 ? 48.95  0.476   18.46  1   166.363 ? 153 B 1 .
ATOM 2805 C CA   . ASN Bxp B 86 ? 48.33  -0.845  18.506 1   195.904 ? 153 B 1 .
ATOM 2806 C C    . ASN Bxp B 86 ? 48.838 -1.695  17.328 1   173.103 ? 153 B 1 .
ATOM 2807 O O    . ASN Bxp B 86 ? 48.398 -1.489  16.193 1   129.042 ? 153 B 1 .
ATOM 2808 C CB   . ASN Bxp B 86 ? 46.801 -0.739  18.575 1   193.627 ? 153 B 1 .
ATOM 2809 C CG   . ASN Bxp B 86 ? 46.24  -0.752  19.985 1   153.565 ? 153 B 1 .
ATOM 2810 O OD1  . ASN Bxp B 86 ? 45.023 -0.871  20.161 0.1 154.721 ? 153 B 1 .
ATOM 2811 N ND2  . ASN Bxp B 86 ? 47.087 -0.629  20.995 0.1 154.796 ? 153 B 1 .
ATOM 2812 H H    . ASN Bxp B 86 ? 49.213 0.795   17.646 1   155.958 ? 153 B 1 c
ATOM 2813 H HA   . ASN Bxp B 86 ? 48.615 -1.276  19.325 1   183.252 ? 153 B 1 c
ATOM 2814 H HB3  . ASN Bxp B 86 ? 46.411 -1.48   18.074 1   183.943 ? 153 B 1 c
ATOM 2815 H HB2  . ASN Bxp B 86 ? 46.525 0.091   18.137 1   183.904 ? 153 B 1 c
ATOM 2816 H HD21 . ASN Bxp B 86 ? 47.491 -1.347  21.324 0.1 154.579 ? 153 B 1 c
ATOM 2817 H HD22 . ASN Bxp B 86 ? 47.242 0.169   21.348 0.1 154.188 ? 153 B 1 c
ATOM 2818 N N    . GLU Bxp B 87 ? 49.78  -2.643  17.55  1   158.387 ? 154 B 1 .
ATOM 2819 C CA   . GLU Bxp B 87 ? 50.617 -2.869  18.736 1   169.011 ? 154 B 1 .
ATOM 2820 C C    . GLU Bxp B 87 ? 49.887 -2.642  20.08  1   181.308 ? 154 B 1 .
ATOM 2821 O O    . GLU Bxp B 87 ? 49.176 -3.584  20.516 1   202.752 ? 154 B 1 .
ATOM 2822 C CB   . GLU Bxp B 87 ? 51.915 -2.061  18.658 1   165.205 ? 154 B 1 .
ATOM 2823 C CG   . GLU Bxp B 87 ? 53.009 -2.499  19.632 1   173.918 ? 154 B 1 .
ATOM 2824 C CD   . GLU Bxp B 87 ? 52.83  -2.089  21.09  1   170.14  ? 154 B 1 .
ATOM 2825 O OE1  . GLU Bxp B 87 ? 52.036 -2.705  21.837 1   148.892 ? 154 B 1 .
ATOM 2826 O OE2  . GLU Bxp B 87 ? 53.506 -1.119  21.484 1   158.648 ? 154 B 1 .
ATOM 2827 O OXT  . GLU Bxp B 87 ? 50.12  -1.567  20.697 1   157.871 ? 154 B 1 .
ATOM 2828 H H    . GLU Bxp B 87 ? 49.908 -3.225  16.857 1   163.88  ? 154 B 1 c
ATOM 2829 H HA   . GLU Bxp B 87 ? 50.89  -3.822  18.716 1   168.345 ? 154 B 1 c
ATOM 2830 H HB3  . GLU Bxp B 87 ? 51.701 -1.127  18.834 1   166.934 ? 154 B 1 c
ATOM 2831 H HB2  . GLU Bxp B 87 ? 52.266 -2.118  17.744 1   167.804 ? 154 B 1 c
ATOM 2832 H HG3  . GLU Bxp B 87 ? 53.866 -2.139  19.319 1   170.95  ? 154 B 1 c
ATOM 2833 H HG2  . GLU Bxp B 87 ? 53.083 -3.475  19.598 1   170.998 ? 154 B 1 c



loop_
_struct_mon_prot_cis.pdbx_id
_struct_mon_prot_cis.pdbx_PDB_model_num
_struct_mon_prot_cis.label_asym_id
_struct_mon_prot_cis.label_seq_id
_struct_mon_prot_cis.label_comp_id
_struct_mon_prot_cis.auth_asym_id
_struct_mon_prot_cis.auth_seq_id
_struct_mon_prot_cis.pdbx_PDB_ins_code
_struct_mon_prot_cis.pdbx_label_asym_id_2
_struct_mon_prot_cis.pdbx_label_seq_id_2
_struct_mon_prot_cis.pdbx_label_comp_id_2
_struct_mon_prot_cis.pdbx_auth_asym_id_2
_struct_mon_prot_cis.pdbx_auth_seq_id_2
_struct_mon_prot_cis.pdbx_PDB_ins_code_2
_struct_mon_prot_cis.label_alt_id
_struct_mon_prot_cis.pdbx_omega_angle
1 1 Bxp 86 ASN B 153 ? Bxp 87 GLU B 154 ? . -0.128953747

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_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_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_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_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_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_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_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_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_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_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_ASN
_chem_comp.id                     ASN
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
ASN N    N NT3 1
ASN CA   C CH1 0
ASN C    C C   0
ASN O    O O   0
ASN CB   C CH2 0
ASN CG   C C   0
ASN OD1  O O   0
ASN ND2  N NH2 0
ASN OXT  O OC  -1
ASN H    H H   0
ASN H2   H H   0
ASN H3   H H   0
ASN HA   H H   0
ASN HB3  H H   0
ASN HB2  H H   0
ASN HD21 H H   0
ASN HD22 H H   0

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
ASN N   CA   single n 1.49  0.01   1.49  0.01
ASN CA  C    single n 1.533 0.01   1.533 0.01
ASN CA  CB   single n 1.525 0.01   1.525 0.01
ASN C   O    double n 1.251 0.0183 1.251 0.0183
ASN C   OXT  single n 1.251 0.0183 1.251 0.0183
ASN CB  CG   single n 1.51  0.01   1.51  0.01
ASN CG  OD1  double n 1.236 0.01   1.236 0.01
ASN CG  ND2  single n 1.325 0.01   1.325 0.01
ASN N   H    single n 0.902 0.0102 1.018 0.052
ASN N   H2   single n 0.902 0.0102 1.018 0.052
ASN N   H3   single n 0.902 0.0102 1.018 0.052
ASN CA  HA   single n 0.984 0.02   1.092 0.01
ASN CB  HB3  single n 0.978 0.0143 1.092 0.01
ASN CB  HB2  single n 0.978 0.0143 1.092 0.01
ASN ND2 HD21 single n 0.887 0.02   1.013 0.012
ASN ND2 HD22 single n 0.887 0.02   1.013 0.012

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
ASN CA   N   H    109.99  3
ASN CA   N   H2   109.99  3
ASN CA   N   H3   109.99  3
ASN H    N   H2   109.032 3
ASN H    N   H3   109.032 3
ASN H2   N   H3   109.032 3
ASN N    CA  C    109.258 1.5
ASN N    CA  CB   111.558 1.5
ASN N    CA  HA   108.387 1.58
ASN C    CA  CB   111.904 3
ASN C    CA  HA   108.774 1.79
ASN CB   CA  HA   107.748 1.5
ASN CA   C   O    117.148 1.6
ASN CA   C   OXT  117.148 1.6
ASN O    C   OXT  125.704 1.5
ASN CA   CB  CG   112.193 1.5
ASN CA   CB  HB3  109.177 1.5
ASN CA   CB  HB2  109.177 1.5
ASN CG   CB  HB3  109.132 1.5
ASN CG   CB  HB2  109.132 1.5
ASN HB3  CB  HB2  108.039 1.5
ASN CB   CG  OD1  120.239 1.5
ASN CB   CG  ND2  117.18  1.62
ASN OD1  CG  ND2  122.581 1.5
ASN CG   ND2 HD21 119.917 2.87
ASN CG   ND2 HD22 119.917 2.87
ASN HD21 ND2 HD22 120.165 3

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
ASN chi1      N  CA CB  CG   -60 10 3
ASN chi2      CA CB CG  ND2  180 10 6
ASN hh1       CB CG ND2 HD22 180 5  2
ASN sp3_sp3_1 C  CA N   H    180 10 3
ASN sp2_sp3_1 O  C  CA  N    0   10 6

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

loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
ASN plan-1 C    0.02
ASN plan-1 CA   0.02
ASN plan-1 O    0.02
ASN plan-1 OXT  0.02
ASN plan-2 CB   0.02
ASN plan-2 CG   0.02
ASN plan-2 ND2  0.02
ASN plan-2 OD1  0.02
ASN plan-3 CG   0.02
ASN plan-3 HD21 0.02
ASN plan-3 HD22 0.02
ASN plan-3 ND2  0.02

data_ALA
_chem_comp.id                     ALA
_chem_comp.group                  peptide

loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
ALA N   N NT3 1
ALA CA  C CH1 0
ALA C   C C   0
ALA O   O O   0
ALA CB  C CH3 0
ALA OXT O OC  -1
ALA H   H H   0
ALA H2  H H   0
ALA H3  H H   0
ALA HA  H H   0
ALA HB3 H H   0
ALA HB2 H H   0
ALA HB1 H H   0

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.aromatic
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
ALA N  CA  single n 1.483 0.01   1.483 0.01
ALA CA C   single n 1.531 0.01   1.531 0.01
ALA CA CB  single n 1.513 0.0158 1.513 0.0158
ALA C  O   double n 1.251 0.0183 1.251 0.0183
ALA C  OXT single n 1.251 0.0183 1.251 0.0183
ALA N  H   single n 0.902 0.0102 1.018 0.052
ALA N  H2  single n 0.902 0.0102 1.018 0.052
ALA N  H3  single n 0.902 0.0102 1.018 0.052
ALA CA HA  single n 0.997 0.02   1.092 0.01
ALA CB HB3 single n 0.972 0.0148 1.092 0.01
ALA CB HB2 single n 0.972 0.0148 1.092 0.01
ALA CB HB1 single n 0.972 0.0148 1.092 0.01

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
ALA CA  N  H   109.611 2.03
ALA CA  N  H2  109.611 2.03
ALA CA  N  H3  109.611 2.03
ALA H   N  H2  109.032 3
ALA H   N  H3  109.032 3
ALA H2  N  H3  109.032 3
ALA N   CA C   109.72  1.5
ALA N   CA CB  109.927 1.5
ALA N   CA HA  108.247 1.5
ALA C   CA CB  111.515 1.5
ALA C   CA HA  108.267 1.5
ALA CB  CA HA  109.172 1.57
ALA CA  C  O   117.191 2.33
ALA CA  C  OXT 117.191 2.33
ALA O   C  OXT 125.618 1.5
ALA CA  CB HB3 109.742 1.5
ALA CA  CB HB2 109.742 1.5
ALA CA  CB HB1 109.742 1.5
ALA HB3 CB HB2 109.365 1.6
ALA HB3 CB HB1 109.365 1.6
ALA HB2 CB HB1 109.365 1.6

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
ALA hh1       N CA CB HB3 180 10 3
ALA sp3_sp3_1 C CA N  H   180 10 3
ALA sp2_sp3_1 O C  CA N   0   10 6

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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