data_1fb5
_entry.id                         1fb5

_cell.entry_id                    1fb5
_cell.length_a                    184.7
_cell.length_b                    184.7
_cell.length_c                    184.7
_cell.angle_alpha                 90
_cell.angle_beta                  90
_cell.angle_gamma                 90

_symmetry.entry_id                1fb5
_symmetry.space_group_name_H-M    "P 43 3 2"
_symmetry.Int_Tables_number       212

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

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
A 1   VAL ?
A 2   GLN ?
A 3   LEU ?
A 4   LYS ?
A 5   GLY ?
A 6   ARG ?
A 7   ASP ?
A 8   LEU ?
A 9   LEU ?
A 10  THR ?
A 11  LEU ?
A 12  LYS ?
A 13  ASN ?
A 14  PHE ?
A 15  THR ?
A 16  GLY ?
A 17  GLU ?
A 18  GLU ?
A 19  ILE ?
A 20  LYS ?
A 21  TYR ?
A 22  MET ?
A 23  LEU ?
A 24  TRP ?
A 25  LEU ?
A 26  SER ?
A 27  ALA ?
A 28  ASP ?
A 29  LEU ?
A 30  LYS ?
A 31  PHE ?
A 32  ARG ?
A 33  ILE ?
A 34  LYS ?
A 35  GLN ?
A 36  LYS ?
A 37  GLY ?
A 38  GLU ?
A 39  TYR ?
A 40  LEU ?
A 41  PRO ?
A 42  LEU ?
A 43  LEU ?
A 44  GLN ?
A 45  GLY ?
A 46  LYS ?
A 47  SER ?
A 48  LEU ?
A 49  GLY ?
A 50  MET ?
A 51  ILE ?
A 52  PHE ?
A 53  GLU ?
A 54  LYS ?
A 55  ARG ?
A 56  SER ?
A 57  THR ?
A 58  ARG ?
A 59  THR ?
A 60  ARG ?
A 61  LEU ?
A 62  SER ?
A 63  THR ?
A 64  GLU ?
A 65  THR ?
A 66  GLY ?
A 67  PHE ?
A 68  ALA ?
A 69  LEU ?
A 70  LEU ?
A 71  GLY ?
A 72  GLY ?
A 73  HIS ?
A 74  PRO ?
A 75  CYS ?
A 76  PHE ?
A 77  LEU ?
A 78  THR ?
A 79  THR ?
A 80  GLN ?
A 81  ASP ?
A 82  ILE ?
A 83  HIS ?
A 84  LEU ?
A 85  GLY ?
A 86  VAL ?
A 87  ASN ?
A 88  GLU ?
A 89  SER ?
A 90  LEU ?
A 91  THR ?
A 92  ASP ?
A 93  THR ?
A 94  ALA ?
A 95  ARG ?
A 96  VAL ?
A 97  LEU ?
A 98  SER ?
A 99  SER ?
A 100 MET ?
A 101 ALA ?
A 102 ASP ?
A 103 ALA ?
A 104 VAL ?
A 105 LEU ?
A 106 ALA ?
A 107 ARG ?
A 108 VAL ?
A 109 TYR ?
A 110 LYS ?
A 111 GLN ?
A 112 SER ?
A 113 ASP ?
A 114 LEU ?
A 115 GLU ?
A 116 THR ?
A 117 LEU ?
A 118 ALA ?
A 119 LYS ?
A 120 GLU ?
A 121 ALA ?
A 122 SER ?
A 123 ILE ?
A 124 PRO ?
A 125 VAL ?
A 126 ILE ?
A 127 ASN ?
A 128 GLY ?
A 129 LEU ?
A 130 SER ?
A 131 ASP ?
A 132 LEU ?
A 133 TYR ?
A 134 HIS ?
A 135 PRO ?
A 136 ILE ?
A 137 GLN ?
A 138 ILE ?
A 139 LEU ?
A 140 ALA ?
A 141 ASP ?
A 142 TYR ?
A 143 LEU ?
A 144 THR ?
A 145 LEU ?
A 146 GLN ?
A 147 GLU ?
A 148 HIS ?
A 149 TYR ?
A 150 SER ?
A 151 SER ?
A 152 LEU ?
A 153 LYS ?
A 154 GLY ?
A 155 LEU ?
A 156 THR ?
A 157 LEU ?
A 158 SER ?
A 159 TRP ?
A 160 ILE ?
A 161 GLY ?
A 162 ASP ?
A 163 GLY ?
A 164 ASN ?
A 165 ASN ?
A 166 ILE ?
A 167 LEU ?
A 168 HIS ?
A 169 SER ?
A 170 ILE ?
A 171 MET ?
A 172 MET ?
A 173 SER ?
A 174 ALA ?
A 175 ALA ?
A 176 LYS ?
A 177 PHE ?
A 178 GLY ?
A 179 MET ?
A 180 HIS ?
A 181 LEU ?
A 182 GLN ?
A 183 ALA ?
A 184 ALA ?
A 185 THR ?
A 186 PRO ?
A 187 LYS ?
A 188 GLY ?
A 189 TYR ?
A 190 GLU ?
A 191 PRO ?
A 192 ASP ?
A 193 ALA ?
A 194 SER ?
A 195 VAL ?
A 196 THR ?
A 197 LYS ?
A 198 LEU ?
A 199 ALA ?
A 200 GLU ?
A 201 GLN ?
A 202 TYR ?
A 203 ALA ?
A 204 LYS ?
A 205 GLU ?
A 206 ASN ?
A 207 GLY ?
A 208 THR ?
A 209 LYS ?
A 210 LEU ?
A 211 LEU ?
A 212 LEU ?
A 213 THR ?
A 214 ASN ?
A 215 ASP ?
A 216 PRO ?
A 217 LEU ?
A 218 GLU ?
A 219 ALA ?
A 220 ALA ?
A 221 HIS ?
A 222 GLY ?
A 223 GLY ?
A 224 ASN ?
A 225 VAL ?
A 226 LEU ?
A 227 ILE ?
A 228 THR ?
A 229 ASP ?
A 230 THR ?
A 231 TRP ?
A 232 ILE ?
A 233 SER ?
A 234 MET ?
A 235 GLY ?
A 236 ARG ?
A 237 GLU ?
A 238 GLU ?
A 239 GLU ?
A 240 LYS ?
A 241 LYS ?
A 242 LYS ?
A 243 ARG ?
A 244 LEU ?
A 245 GLN ?
A 246 ALA ?
A 247 PHE ?
A 248 GLN ?
A 249 GLY ?
A 250 TYR ?
A 251 GLN ?
A 252 VAL ?
A 253 ASN ?
A 254 SER ?
A 255 LYS ?
A 256 THR ?
A 257 ALA ?
A 258 LYS ?
A 259 VAL ?
A 260 ALA ?
A 261 ALA ?
A 262 SER ?
A 263 ALA ?
A 264 TRP ?
A 265 THR ?
A 266 PHE ?
A 267 LEU ?
A 268 HIS ?
A 269 CYS ?
A 270 LEU ?
A 271 PRO ?
A 272 ARG ?
A 273 LYS ?
A 274 PRO ?
A 275 GLU ?
A 276 GLU ?
A 277 VAL ?
A 278 ASP ?
A 279 ASP ?
A 280 ASP ?
A 281 VAL ?
A 282 PHE ?
A 283 TYR ?
A 284 SER ?
A 285 PRO ?
A 286 ARG ?
A 287 SER ?
A 288 LEU ?
A 289 VAL ?
A 290 PHE ?
A 291 PRO ?
A 292 GLU ?
A 293 ALA ?
A 294 GLU ?
A 295 ASN ?
A 296 ARG ?
A 297 LYS ?
A 298 TRP ?
A 299 THR ?
A 300 ILE ?
A 301 MET ?
A 302 ALA ?
A 303 VAL ?
A 304 MET ?
A 305 VAL ?
A 306 SER ?
A 307 LEU ?
A 308 LEU ?
A 309 THR ?
A 310 ASP ?
A 311 TYR ?
A 312 SER ?
A 313 PRO ?
A 314 GLN ?
A 315 LEU ?
A 316 GLN ?
A 317 LYS ?
A 318 PRO ?
A 319 LYS ?
A 320 PHE ?

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                64.293
_refine.aniso_B[1][1]             0.000
_refine.aniso_B[2][2]             0.000
_refine.aniso_B[3][3]             0.000
_refine.aniso_B[1][2]             0.000
_refine.aniso_B[1][3]             0.000
_refine.aniso_B[2][3]             0.000
_refine.solvent_model_details     "MASK BULK SOLVENT"
_refine.pdbx_solvent_vdw_probe_radii 1.200
_refine.pdbx_solvent_ion_probe_radii 0.800
_refine.pdbx_solvent_shrinkage_radii 0.800
_refine.ls_d_res_high             3.502
_refine.ls_d_res_low              55.689
_refine.ls_number_reflns_R_work   12893
_refine.ls_number_reflns_R_free   690
_refine.ls_number_reflns_obs      13583
_refine.ls_R_factor_R_work        0.1893
_refine.ls_R_factor_R_free        0.2313
_refine.ls_R_factor_all           0.191
_refine.ls_wR_factor_R_work       0.173
_refine.ls_wR_factor_R_free       0.213
_refine.ls_percent_reflns_obs     96.142
_refine.ls_percent_reflns_R_free  5.080
_refine.correlation_coeff_Fo_to_Fc 0.912
_refine.correlation_coeff_Fo_to_Fc_free 0.869
_refine.pdbx_overall_ESU_R        0.653
_refine.pdbx_overall_ESU_R_Free   0.370
_refine.overall_SU_ML             0.243
_refine.overall_SU_B              15.912
_refine.pdbx_average_fsc_overall  ?
_refine.pdbx_average_fsc_work     0.9724
_refine.pdbx_average_fsc_free     0.9581
_refine.entry_id                  1fb5
_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 55.689 15.103 224  91.5179 189 0.519 0.516 16 0.487 0.549 0.832 0.849 "X-RAY DIFFRACTION"
20 15.103 10.882 328  96.0366 291 0.218 0.223 24 0.291 0.238 0.972 0.934 "X-RAY DIFFRACTION"
20 10.882 8.942  416  95.9135 381 0.150 0.151 18 0.167 0.159 0.987 0.981 "X-RAY DIFFRACTION"
20 8.942  7.769  464  96.5517 430 0.147 0.147 18 0.160 0.148 0.987 0.986 "X-RAY DIFFRACTION"
20 7.769  6.962  523  95.9847 478 0.152 0.151 24 0.118 0.146 0.984 0.990 "X-RAY DIFFRACTION"
20 6.962  6.364  566  96.2898 510 0.204 0.209 35 0.281 0.182 0.971 0.939 "X-RAY DIFFRACTION"
20 6.364  5.897  616  96.1039 567 0.228 0.230 25 0.289 0.203 0.962 0.935 "X-RAY DIFFRACTION"
20 5.897  5.520  651  96.4670 596 0.196 0.197 32 0.221 0.173 0.974 0.967 "X-RAY DIFFRACTION"
20 5.520  5.208  695  96.6907 634 0.153 0.153 38 0.152 0.134 0.987 0.986 "X-RAY DIFFRACTION"
20 5.208  4.942  728  96.7033 668 0.139 0.140 36 0.156 0.121 0.987 0.988 "X-RAY DIFFRACTION"
20 4.942  4.714  756  97.8836 709 0.135 0.138 31 0.206 0.119 0.988 0.971 "X-RAY DIFFRACTION"
20 4.714  4.515  788  97.3350 729 0.145 0.149 38 0.222 0.127 0.986 0.971 "X-RAY DIFFRACTION"
20 4.515  4.339  835  98.3233 784 0.155 0.156 37 0.179 0.133 0.984 0.976 "X-RAY DIFFRACTION"
20 4.339  4.182  855  97.7778 799 0.154 0.156 37 0.208 0.134 0.984 0.974 "X-RAY DIFFRACTION"
20 4.182  4.041  871  95.6372 787 0.182 0.185 46 0.243 0.157 0.978 0.958 "X-RAY DIFFRACTION"
20 4.041  3.913  913  93.4283 815 0.202 0.201 38 0.191 0.172 0.973 0.972 "X-RAY DIFFRACTION"
20 3.913  3.797  935  95.6150 851 0.200 0.202 43 0.230 0.173 0.973 0.949 "X-RAY DIFFRACTION"
20 3.797  3.690  952  96.1134 867 0.221 0.222 48 0.230 0.194 0.968 0.967 "X-RAY DIFFRACTION"
20 3.690  3.592  986  96.8560 902 0.244 0.248 53 0.318 0.213 0.959 0.924 "X-RAY DIFFRACTION"
20 3.592  3.502  1019 94.1119 906 0.289 0.292 53 0.328 0.253 0.935 0.931 "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               2582  0.008  0.012  "X-RAY DIFFRACTION"
r_bond_other_d                 2503  0.002  0.016  "X-RAY DIFFRACTION"
r_angle_refined_deg            3492  1.894  1.837  "X-RAY DIFFRACTION"
r_angle_other_deg              5782  0.631  1.761  "X-RAY DIFFRACTION"
r_dihedral_angle_1_deg         319   5.848  5.000  "X-RAY DIFFRACTION"
r_dihedral_angle_2_deg         12    4.085  5.000  "X-RAY DIFFRACTION"
r_dihedral_angle_3_deg         473   19.548 10.000 "X-RAY DIFFRACTION"
r_dihedral_angle_6_deg         107   16.196 10.000 "X-RAY DIFFRACTION"
r_chiral_restr                 397   0.078  0.200  "X-RAY DIFFRACTION"
r_gen_planes_refined           2967  0.007  0.020  "X-RAY DIFFRACTION"
r_gen_planes_other             559   0.002  0.020  "X-RAY DIFFRACTION"
r_nbd_refined                  899   0.311  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbd_other           3008  0.266  0.200  "X-RAY DIFFRACTION"
r_nbtor_refined                1294  0.211  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbtor_other         1542  0.092  0.200  "X-RAY DIFFRACTION"
r_xyhbond_nbd_refined          130   0.174  0.200  "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_other   3     0.095  0.200  "X-RAY DIFFRACTION"
r_symmetry_nbd_refined         11    0.253  0.200  "X-RAY DIFFRACTION"
r_nbd_other                    50    0.196  0.200  "X-RAY DIFFRACTION"
r_symmetry_xyhbond_nbd_refined 4     0.251  0.200  "X-RAY DIFFRACTION"
r_xyhbond_nbd_other            1     0.057  0.200  "X-RAY DIFFRACTION"
r_mcbond_it                    1282  7.359  6.156  "X-RAY DIFFRACTION"
r_mcbond_other                 1282  7.353  6.157  "X-RAY DIFFRACTION"
r_mcangle_it                   1599  11.728 11.035 "X-RAY DIFFRACTION"
r_mcangle_other                1600  11.725 11.038 "X-RAY DIFFRACTION"
r_scbond_it                    1300  7.082  6.718  "X-RAY DIFFRACTION"
r_scbond_other                 1301  7.080  6.719  "X-RAY DIFFRACTION"
r_scangle_it                   1893  12.148 12.080 "X-RAY DIFFRACTION"
r_scangle_other                1894  12.145 12.080 "X-RAY DIFFRACTION"
r_lrange_it                    11512 17.548 72.154 "X-RAY DIFFRACTION"
r_lrange_other                 11513 17.549 72.154 "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 1.0697

_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    . VAL Axp A    1   ? 161.725 147.506 187.638 1   50.188  ? 35  A 1 .
ATOM 2    C CA   . VAL Axp A    1   ? 163.101 147.987 187.981 1   55.338  ? 35  A 1 .
ATOM 3    C C    . VAL Axp A    1   ? 163.789 148.016 186.61  1   59.615  ? 35  A 1 .
ATOM 4    O O    . VAL Axp A    1   ? 164.102 149.093 186.104 1   77.465  ? 35  A 1 .
ATOM 5    C CB   . VAL Axp A    1   ? 163.983 147.268 189.065 1   54.642  ? 35  A 1 .
ATOM 6    C CG1  . VAL Axp A    1   ? 164.765 148.236 189.97  1   47.192  ? 35  A 1 .
ATOM 7    C CG2  . VAL Axp A    1   ? 163.247 146.284 189.987 1   51.115  ? 35  A 1 .
ATOM 8    H H    . VAL Axp A    1   ? 161.17  147.656 188.333 1   51.747  ? 35  A 1 c
ATOM 9    H H2   . VAL Axp A    1   ? 161.738 146.622 187.464 1   51.797  ? 35  A 1 c
ATOM 10   H H3   . VAL Axp A    1   ? 161.408 147.945 186.916 1   51.784  ? 35  A 1 c
ATOM 11   H HA   . VAL Axp A    1   ? 163.006 148.915 188.271 1   55.002  ? 35  A 1 c
ATOM 12   H HB   . VAL Axp A    1   ? 164.655 146.739 188.574 1   52.658  ? 35  A 1 c
ATOM 13   H HG11 . VAL Axp A    1   ? 164.147 148.707 190.554 1   49.257  ? 35  A 1 c
ATOM 14   H HG12 . VAL Axp A    1   ? 165.244 148.88  189.421 1   49.257  ? 35  A 1 c
ATOM 15   H HG13 . VAL Axp A    1   ? 165.401 147.736 190.509 1   49.257  ? 35  A 1 c
ATOM 16   H HG21 . VAL Axp A    1   ? 163.882 145.874 190.597 1   52.093  ? 35  A 1 c
ATOM 17   H HG22 . VAL Axp A    1   ? 162.821 145.594 189.452 1   52.115  ? 35  A 1 c
ATOM 18   H HG23 . VAL Axp A    1   ? 162.57  146.761 190.497 1   52.115  ? 35  A 1 c
ATOM 19   N N    . GLN Axp A    2   ? 163.973 146.855 185.964 1   52.886  ? 36  A 1 .
ATOM 20   C CA   . GLN Axp A    2   ? 164.72  146.832 184.716 1   53.429  ? 36  A 1 .
ATOM 21   C C    . GLN Axp A    2   ? 163.912 146.065 183.697 1   45.984  ? 36  A 1 .
ATOM 22   O O    . GLN Axp A    2   ? 163.459 144.973 184.011 1   49.037  ? 36  A 1 .
ATOM 23   C CB   . GLN Axp A    2   ? 166.078 146.137 184.793 1   69.516  ? 36  A 1 .
ATOM 24   C CG   . GLN Axp A    2   ? 167.186 146.966 185.435 1   87.595  ? 36  A 1 .
ATOM 25   C CD   . GLN Axp A    2   ? 168.544 146.289 185.382 1   102.505 ? 36  A 1 .
ATOM 26   O OE1  . GLN Axp A    2   ? 169.356 146.518 184.476 1   118.05  ? 36  A 1 .
ATOM 27   N NE2  . GLN Axp A    2   ? 168.797 145.413 186.344 1   105.555 ? 36  A 1 .
ATOM 28   H H    . GLN Axp A    2   ? 163.637 146.076 186.304 1   54.444  ? 36  A 1 c
ATOM 29   H HA   . GLN Axp A    2   ? 164.845 147.761 184.398 1   54.418  ? 36  A 1 c
ATOM 30   H HB3  . GLN Axp A    2   ? 166.355 145.894 183.884 1   68.828  ? 36  A 1 c
ATOM 31   H HB2  . GLN Axp A    2   ? 165.972 145.306 185.301 1   68.96   ? 36  A 1 c
ATOM 32   H HG3  . GLN Axp A    2   ? 166.957 147.139 186.373 1   86.161  ? 36  A 1 c
ATOM 33   H HG2  . GLN Axp A    2   ? 167.248 147.832 184.979 1   86.161  ? 36  A 1 c
ATOM 34   H HE21 . GLN Axp A    2   ? 169.555 145.464 186.801 1   104.607 ? 36  A 1 c
ATOM 35   H HE22 . GLN Axp A    2   ? 168.206 144.778 186.529 1   104.607 ? 36  A 1 c
ATOM 36   N N    . LEU Axp A    3   ? 163.761 146.664 182.51  1   43.723  ? 37  A 1 .
ATOM 37   C CA   . LEU Axp A    3   ? 162.922 146.165 181.422 1   41.633  ? 37  A 1 .
ATOM 38   C C    . LEU Axp A    3   ? 163.658 146.277 180.093 1   42.999  ? 37  A 1 .
ATOM 39   O O    . LEU Axp A    3   ? 163.211 145.728 179.086 1   42.322  ? 37  A 1 .
ATOM 40   C CB   . LEU Axp A    3   ? 161.591 146.907 181.301 1   40.393  ? 37  A 1 .
ATOM 41   C CG   . LEU Axp A    3   ? 160.308 146.132 181.628 1   43.705  ? 37  A 1 .
ATOM 42   C CD1  . LEU Axp A    3   ? 160.362 145.356 182.922 1   44.133  ? 37  A 1 .
ATOM 43   C CD2  . LEU Axp A    3   ? 159.124 147.095 181.674 1   46.782  ? 37  A 1 .
ATOM 44   H H    . LEU Axp A    3   ? 164.183 147.464 182.388 1   43.954  ? 37  A 1 c
ATOM 45   H HA   . LEU Axp A    3   ? 162.741 145.213 181.588 1   42.307  ? 37  A 1 c
ATOM 46   H HB3  . LEU Axp A    3   ? 161.514 147.252 180.382 1   41.43   ? 37  A 1 c
ATOM 47   H HB2  . LEU Axp A    3   ? 161.63  147.695 181.891 1   41.452  ? 37  A 1 c
ATOM 48   H HG   . LEU Axp A    3   ? 160.145 145.485 180.893 1   43.703  ? 37  A 1 c
ATOM 49   H HD11 . LEU Axp A    3   ? 160.788 144.497 182.768 1   44.092  ? 37  A 1 c
ATOM 50   H HD12 . LEU Axp A    3   ? 159.46  145.212 183.256 1   44.054  ? 37  A 1 c
ATOM 51   H HD13 . LEU Axp A    3   ? 160.873 145.857 183.58  1   44.031  ? 37  A 1 c
ATOM 52   H HD21 . LEU Axp A    3   ? 159.061 147.572 180.83  1   45.774  ? 37  A 1 c
ATOM 53   H HD22 . LEU Axp A    3   ? 159.251 147.732 182.397 1   45.832  ? 37  A 1 c
ATOM 54   H HD23 . LEU Axp A    3   ? 158.304 146.596 181.823 1   45.817  ? 37  A 1 c
ATOM 55   N N    . LYS Axp A    4   ? 164.77  147.016 180.071 1   46.942  ? 38  A 1 .
ATOM 56   C CA   . LYS Axp A    4   ? 165.461 147.231 178.817 1   47.575  ? 38  A 1 .
ATOM 57   C C    . LYS Axp A    4   ? 165.711 145.856 178.205 1   43.649  ? 38  A 1 .
ATOM 58   O O    . LYS Axp A    4   ? 166.059 144.919 178.92  1   46.293  ? 38  A 1 .
ATOM 59   C CB   . LYS Axp A    4   ? 166.708 148.071 179.103 1   55.011  ? 38  A 1 .
ATOM 60   C CG   . LYS Axp A    4   ? 167.406 148.596 177.842 1   65.346  ? 38  A 1 .
ATOM 61   C CD   . LYS Axp A    4   ? 168.647 149.468 178.06  1   69.735  ? 38  A 1 .
ATOM 62   C CE   . LYS Axp A    4   ? 169.581 149.47  176.885 1   73.243  ? 38  A 1 .
ATOM 63   N NZ   . LYS Axp A    4   ? 170.741 150.315 177.163 1   80.247  ? 38  A 1 .
ATOM 64   H H    . LYS Axp A    4   ? 165.108 147.382 180.836 1   46.159  ? 38  A 1 c
ATOM 65   H HA   . LYS Axp A    4   ? 164.866 147.745 178.22  1   47.667  ? 38  A 1 c
ATOM 66   H HB3  . LYS Axp A    4   ? 167.348 147.527 179.611 1   55.339  ? 38  A 1 c
ATOM 67   H HB2  . LYS Axp A    4   ? 166.455 148.837 179.661 1   55.284  ? 38  A 1 c
ATOM 68   H HG3  . LYS Axp A    4   ? 166.75  149.113 177.326 1   63.747  ? 38  A 1 c
ATOM 69   H HG2  . LYS Axp A    4   ? 167.662 147.823 177.293 1   63.701  ? 38  A 1 c
ATOM 70   H HD3  . LYS Axp A    4   ? 169.13  149.145 178.851 1   69.499  ? 38  A 1 c
ATOM 71   H HD2  . LYS Axp A    4   ? 168.359 150.39  178.238 1   69.471  ? 38  A 1 c
ATOM 72   H HE3  . LYS Axp A    4   ? 169.12  149.808 176.096 1   74.017  ? 38  A 1 c
ATOM 73   H HE2  . LYS Axp A    4   ? 169.883 148.562 176.701 1   74.017  ? 38  A 1 c
ATOM 74   H HZ1  . LYS Axp A    4   ? 171.189 149.992 177.881 1   78.011  ? 38  A 1 c
ATOM 75   H HZ2  . LYS Axp A    4   ? 170.468 151.161 177.338 1   77.972  ? 38  A 1 c
ATOM 76   H HZ3  . LYS Axp A    4   ? 171.293 150.322 176.446 1   78.011  ? 38  A 1 c
ATOM 77   N N    . GLY Axp A    5   ? 165.43  145.724 176.907 1   42.52   ? 39  A 1 .
ATOM 78   C CA   . GLY Axp A    5   ? 165.704 144.501 176.167 1   43.708  ? 39  A 1 .
ATOM 79   C C    . GLY Axp A    5   ? 164.742 143.364 176.498 1   43.39   ? 39  A 1 .
ATOM 80   O O    . GLY Axp A    5   ? 164.88  142.264 175.981 1   43.778  ? 39  A 1 .
ATOM 81   H H    . GLY Axp A    5   ? 165.053 146.426 176.461 1   43.079  ? 39  A 1 c
ATOM 82   H HA3  . GLY Axp A    5   ? 166.626 144.212 176.364 1   43.367  ? 39  A 1 c
ATOM 83   H HA2  . GLY Axp A    5   ? 165.653 144.697 175.203 1   43.354  ? 39  A 1 c
ATOM 84   N N    . ARG Axp A    6   ? 163.78  143.605 177.378 1   46.163  ? 40  A 1 .
ATOM 85   C CA   . ARG Axp A    6   ? 162.866 142.542 177.753 1   48.359  ? 40  A 1 .
ATOM 86   C C    . ARG Axp A    6   ? 161.692 142.604 176.797 1   39.4    ? 40  A 1 .
ATOM 87   O O    . ARG Axp A    6   ? 160.949 143.557 176.792 1   39.599  ? 40  A 1 .
ATOM 88   C CB   . ARG Axp A    6   ? 162.384 142.655 179.204 1   58.625  ? 40  A 1 .
ATOM 89   C CG   . ARG Axp A    6   ? 163.316 142.179 180.322 1   63.332  ? 40  A 1 .
ATOM 90   C CD   . ARG Axp A    6   ? 162.771 142.431 181.751 1   57.231  ? 40  A 1 .
ATOM 91   N NE   . ARG Axp A    6   ? 161.623 141.64  182.227 1   57.417  ? 40  A 1 .
ATOM 92   C CZ   . ARG Axp A    6   ? 160.568 141.096 181.573 1   60.467  ? 40  A 1 .
ATOM 93   N NH1  . ARG Axp A    6   ? 160.397 141.138 180.254 1   58.787  ? 40  A 1 .
ATOM 94   N NH2  . ARG Axp A    6   ? 159.68  140.399 182.267 1   60.879  ? 40  A 1 .
ATOM 95   H H    . ARG Axp A    6   ? 163.671 144.437 177.74  1   45.98   ? 40  A 1 c
ATOM 96   H HA   . ARG Axp A    6   ? 163.327 141.672 177.643 1   47.637  ? 40  A 1 c
ATOM 97   H HB3  . ARG Axp A    6   ? 161.552 142.155 179.267 1   56.978  ? 40  A 1 c
ATOM 98   H HB2  . ARG Axp A    6   ? 162.163 143.595 179.374 1   56.887  ? 40  A 1 c
ATOM 99   H HG3  . ARG Axp A    6   ? 164.181 142.635 180.23  1   60.83   ? 40  A 1 c
ATOM 100  H HG2  . ARG Axp A    6   ? 163.479 141.217 180.212 1   60.83   ? 40  A 1 c
ATOM 101  H HD3  . ARG Axp A    6   ? 162.534 143.374 181.804 1   58.218  ? 40  A 1 c
ATOM 102  H HD2  . ARG Axp A    6   ? 163.517 142.294 182.371 1   58.523  ? 40  A 1 c
ATOM 103  H HE   . ARG Axp A    6   ? 161.613 141.492 183.085 1   58.116  ? 40  A 1 c
ATOM 104  H HH11 . ARG Axp A    6   ? 159.871 141.758 179.903 1   59.145  ? 40  A 1 c
ATOM 105  H HH12 . ARG Axp A    6   ? 160.765 140.512 179.747 1   59.234  ? 40  A 1 c
ATOM 106  H HH21 . ARG Axp A    6   ? 159.336 140.74  183.007 1   60.731  ? 40  A 1 c
ATOM 107  H HH22 . ARG Axp A    6   ? 159.435 139.597 181.987 1   60.747  ? 40  A 1 c
ATOM 108  N N    . ASP Axp A    7   ? 161.544 141.61  175.948 1   39.686  ? 41  A 1 .
ATOM 109  C CA   . ASP Axp A    7   ? 160.429 141.63  175.021 1   40.863  ? 41  A 1 .
ATOM 110  C C    . ASP Axp A    7   ? 159.144 141.356 175.785 1   36.837  ? 41  A 1 .
ATOM 111  O O    . ASP Axp A    7   ? 159.153 140.799 176.876 1   37.164  ? 41  A 1 .
ATOM 112  C CB   . ASP Axp A    7   ? 160.603 140.668 173.857 1   45.277  ? 41  A 1 .
ATOM 113  C CG   . ASP Axp A    7   ? 160.925 139.223 174.193 1   48.333  ? 41  A 1 .
ATOM 114  O OD1  . ASP Axp A    7   ? 161.645 138.996 175.201 1   58.822  ? 41  A 1 .
ATOM 115  O OD2  . ASP Axp A    7   ? 160.518 138.364 173.395 1   42.839  ? 41  A 1 .
ATOM 116  H H    . ASP Axp A    7   ? 162.134 140.913 175.935 1   40.068  ? 41  A 1 c
ATOM 117  H HA   . ASP Axp A    7   ? 160.371 142.533 174.632 1   40.561  ? 41  A 1 c
ATOM 118  H HB3  . ASP Axp A    7   ? 161.345 141.004 173.326 1   44.537  ? 41  A 1 c
ATOM 119  H HB2  . ASP Axp A    7   ? 159.787 140.677 173.32  1   44.403  ? 41  A 1 c
ATOM 120  N N    . LEU Axp A    8   ? 158.05  141.779 175.167 1   35.309  ? 42  A 1 .
ATOM 121  C CA   . LEU Axp A    8   ? 156.746 141.79  175.785 1   34.712  ? 42  A 1 .
ATOM 122  C C    . LEU Axp A    8   ? 155.777 141.049 174.883 1   36.094  ? 42  A 1 .
ATOM 123  O O    . LEU Axp A    8   ? 155.297 141.625 173.902 1   36.412  ? 42  A 1 .
ATOM 124  C CB   . LEU Axp A    8   ? 156.33  143.248 175.949 1   34.304  ? 42  A 1 .
ATOM 125  C CG   . LEU Axp A    8   ? 155.129 143.492 176.863 1   37.026  ? 42  A 1 .
ATOM 126  C CD1  . LEU Axp A    8   ? 154.75  144.965 176.829 1   36.917  ? 42  A 1 .
ATOM 127  C CD2  . LEU Axp A    8   ? 153.937 142.571 176.538 1   39.339  ? 42  A 1 .
ATOM 128  H H    . LEU Axp A    8   ? 158.121 142.076 174.305 1   35.725  ? 42  A 1 c
ATOM 129  H HA   . LEU Axp A    8   ? 156.793 141.349 176.67  1   35.102  ? 42  A 1 c
ATOM 130  H HB3  . LEU Axp A    8   ? 156.125 143.617 175.059 1   35.014  ? 42  A 1 c
ATOM 131  H HB2  . LEU Axp A    8   ? 157.099 143.749 176.307 1   35.004  ? 42  A 1 c
ATOM 132  H HG   . LEU Axp A    8   ? 155.413 143.289 177.789 1   36.983  ? 42  A 1 c
ATOM 133  H HD11 . LEU Axp A    8   ? 155.507 145.502 177.117 1   36.949  ? 42  A 1 c
ATOM 134  H HD12 . LEU Axp A    8   ? 153.998 145.12  177.426 1   36.949  ? 42  A 1 c
ATOM 135  H HD13 . LEU Axp A    8   ? 154.501 145.216 175.924 1   36.949  ? 42  A 1 c
ATOM 136  H HD21 . LEU Axp A    8   ? 154.155 141.655 176.778 1   38.607  ? 42  A 1 c
ATOM 137  H HD22 . LEU Axp A    8   ? 153.734 142.621 175.59  1   38.613  ? 42  A 1 c
ATOM 138  H HD23 . LEU Axp A    8   ? 153.161 142.858 177.047 1   38.634  ? 42  A 1 c
ATOM 139  N N    . LEU Axp A    9   ? 155.477 139.795 175.239 1   37.921  ? 43  A 1 .
ATOM 140  C CA   . LEU Axp A    9   ? 154.529 139.002 174.467 1   38.479  ? 43  A 1 .
ATOM 141  C C    . LEU Axp A    9   ? 153.213 138.809 175.205 1   30.635  ? 43  A 1 .
ATOM 142  O O    . LEU Axp A    9   ? 152.225 138.492 174.551 1   22.871  ? 43  A 1 .
ATOM 143  C CB   . LEU Axp A    9   ? 155.14  137.65  174.119 1   45.389  ? 43  A 1 .
ATOM 144  C CG   . LEU Axp A    9   ? 156.507 137.693 173.433 1   48.807  ? 43  A 1 .
ATOM 145  C CD1  . LEU Axp A    9   ? 156.873 136.286 173.03  1   52.139  ? 43  A 1 .
ATOM 146  C CD2  . LEU Axp A    9   ? 156.508 138.598 172.222 1   50.716  ? 43  A 1 .
ATOM 147  H H    . LEU Axp A    9   ? 155.883 139.42  175.967 1   37.478  ? 43  A 1 c
ATOM 148  H HA   . LEU Axp A    9   ? 154.336 139.486 173.628 1   38.028  ? 43  A 1 c
ATOM 149  H HB3  . LEU Axp A    9   ? 154.512 137.171 173.531 1   44.451  ? 43  A 1 c
ATOM 150  H HB2  . LEU Axp A    9   ? 155.226 137.129 174.95  1   44.347  ? 43  A 1 c
ATOM 151  H HG   . LEU Axp A    9   ? 157.179 138.024 174.082 1   49.046  ? 43  A 1 c
ATOM 152  H HD11 . LEU Axp A    9   ? 156.859 135.71  173.813 1   51.124  ? 43  A 1 c
ATOM 153  H HD12 . LEU Axp A    9   ? 157.763 136.281 172.641 1   51.124  ? 43  A 1 c
ATOM 154  H HD13 . LEU Axp A    9   ? 156.232 135.958 172.377 1   51.124  ? 43  A 1 c
ATOM 155  H HD21 . LEU Axp A    9   ? 156.416 139.522 172.506 1   49.761  ? 43  A 1 c
ATOM 156  H HD22 . LEU Axp A    9   ? 155.766 138.363 171.64  1   50.053  ? 43  A 1 c
ATOM 157  H HD23 . LEU Axp A    9   ? 157.344 138.491 171.738 1   50.062  ? 43  A 1 c
ATOM 158  N N    . THR Axp A    10  ? 153.267 138.883 176.546 1   31.718  ? 44  A 1 .
ATOM 159  C CA   . THR Axp A    10  ? 152.078 139.058 177.375 1   39.323  ? 44  A 1 .
ATOM 160  C C    . THR Axp A    10  ? 152.461 139.327 178.826 1   40.926  ? 44  A 1 .
ATOM 161  O O    . THR Axp A    10  ? 153.475 138.835 179.275 1   36.447  ? 44  A 1 .
ATOM 162  C CB   . THR Axp A    10  ? 151.157 137.842 177.305 1   38.599  ? 44  A 1 .
ATOM 163  O OG1  . THR Axp A    10  ? 150.073 138.094 178.224 1   38.435  ? 44  A 1 .
ATOM 164  C CG2  . THR Axp A    10  ? 151.988 136.581 177.446 1   33.638  ? 44  A 1 .
ATOM 165  H H    . THR Axp A    10  ? 154.076 138.803 176.962 1   33.176  ? 44  A 1 c
ATOM 166  H HA   . THR Axp A    10  ? 151.585 139.836 177.035 1   37.913  ? 44  A 1 c
ATOM 167  H HB   . THR Axp A    10  ? 150.772 137.81  176.396 1   37.556  ? 44  A 1 c
ATOM 168  H HG1  . THR Axp A    10  ? 150.741 137.691 178.978 0   28.3    ? 44  A 1 c
ATOM 169  H HG21 . THR Axp A    10  ? 151.416 135.847 177.728 1   35.038  ? 44  A 1 c
ATOM 170  H HG22 . THR Axp A    10  ? 152.684 136.718 178.109 1   35.068  ? 44  A 1 c
ATOM 171  H HG23 . THR Axp A    10  ? 152.394 136.362 176.591 1   35.007  ? 44  A 1 c
ATOM 172  N N    . LEU Axp A    11  ? 151.574 140.023 179.556 1   49.361  ? 45  A 1 .
ATOM 173  C CA   . LEU Axp A    11  ? 151.815 140.425 180.935 1   51.891  ? 45  A 1 .
ATOM 174  C C    . LEU Axp A    11  ? 151.983 139.196 181.825 1   51.609  ? 45  A 1 .
ATOM 175  O O    . LEU Axp A    11  ? 152.43  139.334 182.957 1   49.853  ? 45  A 1 .
ATOM 176  C CB   . LEU Axp A    11  ? 150.7   141.295 181.52  1   54.998  ? 45  A 1 .
ATOM 177  C CG   . LEU Axp A    11  ? 150.264 142.523 180.722 1   51.778  ? 45  A 1 .
ATOM 178  C CD1  . LEU Axp A    11  ? 151.488 143.282 180.258 1   49.162  ? 45  A 1 .
ATOM 179  C CD2  . LEU Axp A    11  ? 149.378 142.039 179.575 1   56.653  ? 45  A 1 .
ATOM 180  H H    . LEU Axp A    11  ? 150.765 140.213 179.182 1   47.842  ? 45  A 1 c
ATOM 181  H HA   . LEU Axp A    11  ? 152.657 140.937 180.958 1   51.746  ? 45  A 1 c
ATOM 182  H HB3  . LEU Axp A    11  ? 150.99  141.598 182.411 1   53.535  ? 45  A 1 c
ATOM 183  H HB2  . LEU Axp A    11  ? 149.911 140.723 181.664 1   53.552  ? 45  A 1 c
ATOM 184  H HG   . LEU Axp A    11  ? 149.728 143.111 181.313 1   52.721  ? 45  A 1 c
ATOM 185  H HD11 . LEU Axp A    11  ? 152.133 143.333 180.984 1   49.906  ? 45  A 1 c
ATOM 186  H HD12 . LEU Axp A    11  ? 151.232 144.18  179.991 1   49.7    ? 45  A 1 c
ATOM 187  H HD13 . LEU Axp A    11  ? 151.89  142.823 179.501 1   49.917  ? 45  A 1 c
ATOM 188  H HD21 . LEU Axp A    11  ? 148.907 141.231 179.84  1   55.028  ? 45  A 1 c
ATOM 189  H HD22 . LEU Axp A    11  ? 149.922 141.854 178.798 1   54.889  ? 45  A 1 c
ATOM 190  H HD23 . LEU Axp A    11  ? 148.73  142.729 179.358 1   55.038  ? 45  A 1 c
ATOM 191  N N    . LYS Axp A    12  ? 151.55  138.02  181.356 1   51.83   ? 46  A 1 .
ATOM 192  C CA   . LYS Axp A    12  ? 151.701 136.794 182.115 1   52.279  ? 46  A 1 .
ATOM 193  C C    . LYS Axp A    12  ? 153.038 136.856 182.843 1   53.55   ? 46  A 1 .
ATOM 194  O O    . LYS Axp A    12  ? 153.084 137.015 184.055 1   59.007  ? 46  A 1 .
ATOM 195  C CB   . LYS Axp A    12  ? 151.552 135.607 181.159 1   53.544  ? 46  A 1 .
ATOM 196  C CG   . LYS Axp A    12  ? 152.019 134.283 181.722 1   60.891  ? 46  A 1 .
ATOM 197  C CD   . LYS Axp A    12  ? 151.847 133.079 180.801 1   70.703  ? 46  A 1 .
ATOM 198  C CE   . LYS Axp A    12  ? 152.516 131.867 181.411 1   82.46   ? 46  A 1 .
ATOM 199  N NZ   . LYS Axp A    12  ? 152.191 130.581 180.786 1   88.641  ? 46  A 1 .
ATOM 200  H H    . LYS Axp A    12  ? 151.121 137.985 180.55  1   51.811  ? 46  A 1 c
ATOM 201  H HA   . LYS Axp A    12  ? 150.975 136.754 182.789 1   52.649  ? 46  A 1 c
ATOM 202  H HB3  . LYS Axp A    12  ? 152.062 135.794 180.343 1   54.813  ? 46  A 1 c
ATOM 203  H HB2  . LYS Axp A    12  ? 150.608 135.522 180.907 1   54.84   ? 46  A 1 c
ATOM 204  H HG3  . LYS Axp A    12  ? 151.529 134.114 182.556 1   61.155  ? 46  A 1 c
ATOM 205  H HG2  . LYS Axp A    12  ? 152.97  134.364 181.953 1   61.169  ? 46  A 1 c
ATOM 206  H HD3  . LYS Axp A    12  ? 152.253 133.27  179.928 1   70.811  ? 46  A 1 c
ATOM 207  H HD2  . LYS Axp A    12  ? 150.891 132.895 180.673 1   70.811  ? 46  A 1 c
ATOM 208  H HE3  . LYS Axp A    12  ? 152.27  131.819 182.352 1   80.863  ? 46  A 1 c
ATOM 209  H HE2  . LYS Axp A    12  ? 153.48  131.993 181.369 1   80.967  ? 46  A 1 c
ATOM 210  H HZ1  . LYS Axp A    12  ? 152.63  130.504 179.997 1   86.691  ? 46  A 1 c
ATOM 211  H HZ2  . LYS Axp A    12  ? 151.299 130.529 180.636 1   86.691  ? 46  A 1 c
ATOM 212  H HZ3  . LYS Axp A    12  ? 152.441 129.903 181.332 1   86.691  ? 46  A 1 c
ATOM 213  N N    . ASN Axp A    13  ? 154.117 136.825 182.066 1   52.548  ? 47  A 1 .
ATOM 214  C CA   . ASN Axp A    13  ? 155.47  136.871 182.584 1   56.291  ? 47  A 1 .
ATOM 215  C C    . ASN Axp A    13  ? 155.854 138.328 182.85  1   51.568  ? 47  A 1 .
ATOM 216  O O    . ASN Axp A    13  ? 156.744 138.903 182.229 1   47.743  ? 47  A 1 .
ATOM 217  C CB   . ASN Axp A    13  ? 156.395 136.086 181.659 1   66.948  ? 47  A 1 .
ATOM 218  C CG   . ASN Axp A    13  ? 155.911 136.041 180.222 1   74.201  ? 47  A 1 .
ATOM 219  O OD1  . ASN Axp A    13  ? 155.81  137.075 179.543 1   69.873  ? 47  A 1 .
ATOM 220  N ND2  . ASN Axp A    13  ? 155.61  134.844 179.732 1   81.915  ? 47  A 1 .
ATOM 221  H H    . ASN Axp A    13  ? 153.999 136.797 181.161 1   53.828  ? 47  A 1 c
ATOM 222  H HA   . ASN Axp A    13  ? 155.474 136.403 183.45  1   56.458  ? 47  A 1 c
ATOM 223  H HB3  . ASN Axp A    13  ? 156.475 135.171 181.994 1   65.936  ? 47  A 1 c
ATOM 224  H HB2  . ASN Axp A    13  ? 157.286 136.49  181.68  1   65.698  ? 47  A 1 c
ATOM 225  H HD21 . ASN Axp A    13  ? 155.888 134.616 178.921 1   79.458  ? 47  A 1 c
ATOM 226  H HD22 . ASN Axp A    13  ? 155.131 134.276 180.216 1   79.458  ? 47  A 1 c
ATOM 227  N N    . PHE Axp A    14  ? 155.179 138.927 183.831 1   53.85   ? 48  A 1 .
ATOM 228  C CA   . PHE Axp A    14  ? 155.462 140.297 184.233 1   50.843  ? 48  A 1 .
ATOM 229  C C    . PHE Axp A    14  ? 155.002 140.554 185.671 1   45.966  ? 48  A 1 .
ATOM 230  O O    . PHE Axp A    14  ? 153.816 140.455 185.985 1   41.545  ? 48  A 1 .
ATOM 231  C CB   . PHE Axp A    14  ? 154.793 141.28  183.273 1   48.8    ? 48  A 1 .
ATOM 232  C CG   . PHE Axp A    14  ? 155.624 141.671 182.064 1   45.284  ? 48  A 1 .
ATOM 233  C CD1  . PHE Axp A    14  ? 156.694 142.528 182.212 1   46.068  ? 48  A 1 .
ATOM 234  C CD2  . PHE Axp A    14  ? 155.305 141.251 180.784 1   45.141  ? 48  A 1 .
ATOM 235  C CE1  . PHE Axp A    14  ? 157.441 142.934 181.122 1   44.688  ? 48  A 1 .
ATOM 236  C CE2  . PHE Axp A    14  ? 156.069 141.647 179.7   1   42.765  ? 48  A 1 .
ATOM 237  C CZ   . PHE Axp A    14  ? 157.121 142.499 179.869 1   41.778  ? 48  A 1 .
ATOM 238  H H    . PHE Axp A    14  ? 154.527 138.465 184.274 1   52.595  ? 48  A 1 c
ATOM 239  H HA   . PHE Axp A    14  ? 156.442 140.435 184.186 1   50.046  ? 48  A 1 c
ATOM 240  H HB3  . PHE Axp A    14  ? 154.565 142.095 183.773 1   48.412  ? 48  A 1 c
ATOM 241  H HB2  . PHE Axp A    14  ? 153.953 140.885 182.96  1   48.45   ? 48  A 1 c
ATOM 242  H HD1  . PHE Axp A    14  ? 156.914 142.849 183.071 1   45.609  ? 48  A 1 c
ATOM 243  H HD2  . PHE Axp A    14  ? 154.58  140.665 180.655 1   44.684  ? 48  A 1 c
ATOM 244  H HE1  . PHE Axp A    14  ? 158.175 143.514 181.246 1   44.301  ? 48  A 1 c
ATOM 245  H HE2  . PHE Axp A    14  ? 155.848 141.34  178.836 1   42.999  ? 48  A 1 c
ATOM 246  H HZ   . PHE Axp A    14  ? 157.643 142.761 179.128 1   42.741  ? 48  A 1 c
ATOM 247  N N    . THR Axp A    15  ? 155.961 140.883 186.542 1   44.483  ? 49  A 1 .
ATOM 248  C CA   . THR Axp A    15  ? 155.637 141.232 187.909 1   48.316  ? 49  A 1 .
ATOM 249  C C    . THR Axp A    15  ? 154.669 142.398 187.82  1   50.319  ? 49  A 1 .
ATOM 250  O O    . THR Axp A    15  ? 154.861 143.285 186.986 1   53.479  ? 49  A 1 .
ATOM 251  C CB   . THR Axp A    15  ? 156.849 141.647 188.747 1   51.823  ? 49  A 1 .
ATOM 252  O OG1  . THR Axp A    15  ? 157.082 143.017 188.462 1   55.956  ? 49  A 1 .
ATOM 253  C CG2  . THR Axp A    15  ? 158.143 140.91  188.457 1   52.283  ? 49  A 1 .
ATOM 254  H H    . THR Axp A    15  ? 156.835 140.891 186.274 1   45.965  ? 49  A 1 c
ATOM 255  H HA   . THR Axp A    15  ? 155.192 140.468 188.337 1   48.523  ? 49  A 1 c
ATOM 256  H HB   . THR Axp A    15  ? 156.633 141.548 189.705 1   52.028  ? 49  A 1 c
ATOM 257  H HG1  . THR Axp A    15  ? 157.183 143.101 187.689 0   38      ? 49  A 1 c
ATOM 258  H HG21 . THR Axp A    15  ? 158.674 140.857 189.268 1   52.128  ? 49  A 1 c
ATOM 259  H HG22 . THR Axp A    15  ? 158.643 141.385 187.775 1   52.135  ? 49  A 1 c
ATOM 260  H HG23 . THR Axp A    15  ? 157.942 140.012 188.144 1   52.059  ? 49  A 1 c
ATOM 261  N N    . GLY Axp A    16  ? 153.665 142.418 188.699 1   49.907  ? 50  A 1 .
ATOM 262  C CA   . GLY Axp A    16  ? 152.802 143.584 188.753 1   51.726  ? 50  A 1 .
ATOM 263  C C    . GLY Axp A    16  ? 153.647 144.856 188.771 1   49.467  ? 50  A 1 .
ATOM 264  O O    . GLY Axp A    16  ? 153.515 145.724 187.905 1   50.768  ? 50  A 1 .
ATOM 265  H H    . GLY Axp A    16  ? 153.516 141.714 189.263 1   50.378  ? 50  A 1 c
ATOM 266  H HA3  . GLY Axp A    16  ? 152.244 143.542 189.564 1   50.74   ? 50  A 1 c
ATOM 267  H HA2  . GLY Axp A    16  ? 152.208 143.589 187.966 1   50.74   ? 50  A 1 c
ATOM 268  N N    . GLU Axp A    17  ? 154.579 144.882 189.724 1   47.567  ? 51  A 1 .
ATOM 269  C CA   . GLU Axp A    17  ? 155.516 145.978 189.887 1   50.278  ? 51  A 1 .
ATOM 270  C C    . GLU Axp A    17  ? 156.029 146.467 188.527 1   46.969  ? 51  A 1 .
ATOM 271  O O    . GLU Axp A    17  ? 156.143 147.671 188.303 1   45.676  ? 51  A 1 .
ATOM 272  C CB   . GLU Axp A    17  ? 156.615 145.465 190.82  1   58.42   ? 51  A 1 .
ATOM 273  C CG   . GLU Axp A    17  ? 157.386 146.554 191.561 1   66.182  ? 51  A 1 .
ATOM 274  C CD   . GLU Axp A    17  ? 156.503 147.498 192.37  1   79.286  ? 51  A 1 .
ATOM 275  O OE1  . GLU Axp A    17  ? 155.624 147.047 193.131 1   92.69   ? 51  A 1 .
ATOM 276  O OE2  . GLU Axp A    17  ? 156.669 148.717 192.207 1   93.124  ? 51  A 1 .
ATOM 277  H H    . GLU Axp A    17  ? 154.626 144.179 190.307 1   48.796  ? 51  A 1 c
ATOM 278  H HA   . GLU Axp A    17  ? 155.039 146.725 190.327 1   50.603  ? 51  A 1 c
ATOM 279  H HB3  . GLU Axp A    17  ? 157.25  144.936 190.295 1   57.987  ? 51  A 1 c
ATOM 280  H HB2  . GLU Axp A    17  ? 156.213 144.872 191.488 1   57.933  ? 51  A 1 c
ATOM 281  H HG3  . GLU Axp A    17  ? 157.896 147.083 190.911 1   67.193  ? 51  A 1 c
ATOM 282  H HG2  . GLU Axp A    17  ? 158.029 146.132 192.169 1   67.08   ? 51  A 1 c
ATOM 283  N N    . GLU Axp A    18  ? 156.339 145.526 187.627 1   44.464  ? 52  A 1 .
ATOM 284  C CA   . GLU Axp A    18  ? 156.825 145.837 186.29  1   42.998  ? 52  A 1 .
ATOM 285  C C    . GLU Axp A    18  ? 155.738 146.551 185.484 1   38.701  ? 52  A 1 .
ATOM 286  O O    . GLU Axp A    18  ? 155.937 147.641 184.963 1   37.444  ? 52  A 1 .
ATOM 287  C CB   . GLU Axp A    18  ? 157.267 144.557 185.575 1   48.208  ? 52  A 1 .
ATOM 288  C CG   . GLU Axp A    18  ? 158.599 143.956 186.034 1   54.012  ? 52  A 1 .
ATOM 289  C CD   . GLU Axp A    18  ? 158.979 142.56  185.517 1   57.265  ? 52  A 1 .
ATOM 290  O OE1  . GLU Axp A    18  ? 158.113 141.784 185.047 1   59.845  ? 52  A 1 .
ATOM 291  O OE2  . GLU Axp A    18  ? 160.18  142.226 185.567 1   57.197  ? 52  A 1 .
ATOM 292  H H    . GLU Axp A    18  ? 156.265 144.647 187.866 1   44.864  ? 52  A 1 c
ATOM 293  H HA   . GLU Axp A    18  ? 157.605 146.441 186.376 1   43.36   ? 52  A 1 c
ATOM 294  H HB3  . GLU Axp A    18  ? 157.344 144.749 184.618 1   48.163  ? 52  A 1 c
ATOM 295  H HB2  . GLU Axp A    18  ? 156.57  143.88  185.682 1   48.262  ? 52  A 1 c
ATOM 296  H HG3  . GLU Axp A    18  ? 158.604 143.926 187.013 1   53.356  ? 52  A 1 c
ATOM 297  H HG2  . GLU Axp A    18  ? 159.316 144.573 185.775 1   53.34   ? 52  A 1 c
ATOM 298  N N    . ILE Axp A    19  ? 154.563 145.942 185.395 1   36.536  ? 53  A 1 .
ATOM 299  C CA   . ILE Axp A    19  ? 153.473 146.558 184.665 1   37.551  ? 53  A 1 .
ATOM 300  C C    . ILE Axp A    19  ? 153.253 147.961 185.207 1   40.671  ? 53  A 1 .
ATOM 301  O O    . ILE Axp A    19  ? 153.256 148.933 184.46  1   44.71   ? 53  A 1 .
ATOM 302  C CB   . ILE Axp A    19  ? 152.189 145.737 184.778 1   35.787  ? 53  A 1 .
ATOM 303  C CG1  . ILE Axp A    19  ? 152.465 144.276 184.642 1   37.788  ? 53  A 1 .
ATOM 304  C CG2  . ILE Axp A    19  ? 151.175 146.206 183.746 1   34.962  ? 53  A 1 .
ATOM 305  C CD1  . ILE Axp A    19  ? 151.24  143.43  184.879 1   40.464  ? 53  A 1 .
ATOM 306  H H    . ILE Axp A    19  ? 154.434 145.142 185.815 1   37.346  ? 53  A 1 c
ATOM 307  H HA   . ILE Axp A    19  ? 153.72  146.62  183.727 1   37.649  ? 53  A 1 c
ATOM 308  H HB   . ILE Axp A    19  ? 151.81  145.889 185.667 1   36.484  ? 53  A 1 c
ATOM 309  H HG12 . ILE Axp A    19  ? 153.153 144.014 185.284 1   37.971  ? 53  A 1 c
ATOM 310  H HG13 . ILE Axp A    19  ? 152.806 144.099 183.741 1   37.917  ? 53  A 1 c
ATOM 311  H HG21 . ILE Axp A    19  ? 150.36  145.687 183.825 1   35.418  ? 53  A 1 c
ATOM 312  H HG22 . ILE Axp A    19  ? 151.544 146.088 182.855 1   35.225  ? 53  A 1 c
ATOM 313  H HG23 . ILE Axp A    19  ? 150.973 147.146 183.886 1   35.356  ? 53  A 1 c
ATOM 314  H HD11 . ILE Axp A    19  ? 150.684 143.839 185.569 1   39.597  ? 53  A 1 c
ATOM 315  H HD12 . ILE Axp A    19  ? 151.512 142.539 185.17  1   39.631  ? 53  A 1 c
ATOM 316  H HD13 . ILE Axp A    19  ? 150.728 143.358 184.051 1   39.608  ? 53  A 1 c
ATOM 317  N N    . LYS Axp A    20  ? 153.073 148.047 186.519 1   42.612  ? 54  A 1 .
ATOM 318  C CA   . LYS Axp A    20  ? 152.92  149.33  187.176 1   47.746  ? 54  A 1 .
ATOM 319  C C    . LYS Axp A    20  ? 153.936 150.335 186.621 1   48.023  ? 54  A 1 .
ATOM 320  O O    . LYS Axp A    20  ? 153.553 151.399 186.124 1   46.92   ? 54  A 1 .
ATOM 321  C CB   . LYS Axp A    20  ? 153.09  149.178 188.691 1   54.236  ? 54  A 1 .
ATOM 322  C CG   . LYS Axp A    20  ? 152.033 148.337 189.388 1   59.454  ? 54  A 1 .
ATOM 323  C CD   . LYS Axp A    20  ? 152.124 148.386 190.906 1   64.708  ? 54  A 1 .
ATOM 324  C CE   . LYS Axp A    20  ? 151.049 147.579 191.538 1   73.095  ? 54  A 1 .
ATOM 325  N NZ   . LYS Axp A    20  ? 151.073 147.748 192.99  1   83.007  ? 54  A 1 .
ATOM 326  H H    . LYS Axp A    20  ? 153.048 147.285 187.022 1   43.304  ? 54  A 1 c
ATOM 327  H HA   . LYS Axp A    20  ? 152.007 149.668 186.989 1   47.84   ? 54  A 1 c
ATOM 328  H HB3  . LYS Axp A    20  ? 153.088 150.071 189.095 1   53.727  ? 54  A 1 c
ATOM 329  H HB2  . LYS Axp A    20  ? 153.967 148.777 188.868 1   53.668  ? 54  A 1 c
ATOM 330  H HG3  . LYS Axp A    20  ? 152.119 147.407 189.091 1   59.129  ? 54  A 1 c
ATOM 331  H HG2  . LYS Axp A    20  ? 151.152 148.661 189.117 1   59.138  ? 54  A 1 c
ATOM 332  H HD3  . LYS Axp A    20  ? 152.047 149.318 191.206 1   65.396  ? 54  A 1 c
ATOM 333  H HD2  . LYS Axp A    20  ? 152.997 148.04  191.19  1   65.329  ? 54  A 1 c
ATOM 334  H HE3  . LYS Axp A    20  ? 151.173 146.637 191.323 1   73.243  ? 54  A 1 c
ATOM 335  H HE2  . LYS Axp A    20  ? 150.181 147.861 191.197 1   73.243  ? 54  A 1 c
ATOM 336  H HZ1  . LYS Axp A    20  ? 150.931 148.618 193.2   1   79.596  ? 54  A 1 c
ATOM 337  H HZ2  . LYS Axp A    20  ? 151.879 147.492 193.315 1   79.676  ? 54  A 1 c
ATOM 338  H HZ3  . LYS Axp A    20  ? 150.425 147.241 193.369 1   79.75   ? 54  A 1 c
ATOM 339  N N    . TYR Axp A    21  ? 155.23  149.996 186.701 1   41.974  ? 55  A 1 .
ATOM 340  C CA   . TYR Axp A    21  ? 156.255 150.859 186.142 1   38.494  ? 55  A 1 .
ATOM 341  C C    . TYR Axp A    21  ? 155.824 151.364 184.77  1   35.74   ? 55  A 1 .
ATOM 342  O O    . TYR Axp A    21  ? 155.732 152.563 184.542 1   35.573  ? 55  A 1 .
ATOM 343  C CB   . TYR Axp A    21  ? 157.592 150.147 185.958 1   40.317  ? 55  A 1 .
ATOM 344  C CG   . TYR Axp A    21  ? 158.674 150.983 185.287 1   40.093  ? 55  A 1 .
ATOM 345  C CD1  . TYR Axp A    21  ? 158.737 151.12  183.912 1   40.957  ? 55  A 1 .
ATOM 346  C CD2  . TYR Axp A    21  ? 159.658 151.607 186.036 1   40.696  ? 55  A 1 .
ATOM 347  C CE1  . TYR Axp A    21  ? 159.739 151.867 183.312 1   43.033  ? 55  A 1 .
ATOM 348  C CE2  . TYR Axp A    21  ? 160.665 152.351 185.449 1   41.093  ? 55  A 1 .
ATOM 349  C CZ   . TYR Axp A    21  ? 160.704 152.499 184.077 1   41.725  ? 55  A 1 .
ATOM 350  O OH   . TYR Axp A    21  ? 161.697 153.248 183.502 1   39.37   ? 55  A 1 .
ATOM 351  H H    . TYR Axp A    21  ? 155.475 149.215 187.108 1   42.658  ? 55  A 1 c
ATOM 352  H HA   . TYR Axp A    21  ? 156.384 151.636 186.747 1   38.949  ? 55  A 1 c
ATOM 353  H HB3  . TYR Axp A    21  ? 157.446 149.337 185.425 1   39.761  ? 55  A 1 c
ATOM 354  H HB2  . TYR Axp A    21  ? 157.916 149.864 186.842 1   39.837  ? 55  A 1 c
ATOM 355  H HD1  . TYR Axp A    21  ? 158.088 150.7   183.371 1   41.138  ? 55  A 1 c
ATOM 356  H HD2  . TYR Axp A    21  ? 159.642 151.521 186.976 1   40.657  ? 55  A 1 c
ATOM 357  H HE1  . TYR Axp A    21  ? 159.756 151.958 182.374 1   42.182  ? 55  A 1 c
ATOM 358  H HE2  . TYR Axp A    21  ? 161.311 152.777 185.986 1   41.134  ? 55  A 1 c
ATOM 359  H HH   . TYR Axp A    21  ? 161.676 153.324 182.854 0   35.11   ? 55  A 1 c
ATOM 360  N N    . MET Axp A    22  ? 155.586 150.443 183.841 1   33.958  ? 56  A 1 .
ATOM 361  C CA   . MET Axp A    22  ? 155.171 150.842 182.511 1   36.521  ? 56  A 1 .
ATOM 362  C C    . MET Axp A    22  ? 154.103 151.948 182.589 1   37.358  ? 56  A 1 .
ATOM 363  O O    . MET Axp A    22  ? 154.309 153.062 182.109 1   40.217  ? 56  A 1 .
ATOM 364  C CB   . MET Axp A    22  ? 154.709 149.612 181.72  1   38.463  ? 56  A 1 .
ATOM 365  C CG   . MET Axp A    22  ? 155.857 148.705 181.286 1   40.539  ? 56  A 1 .
ATOM 366  S SD   . MET Axp A    22  ? 155.401 147.392 180.128 1   43.549  ? 56  A 1 .
ATOM 367  C CE   . MET Axp A    22  ? 155.281 146.151 181.43  1   45.446  ? 56  A 1 .
ATOM 368  H H    . MET Axp A    22  ? 155.673 149.555 184.037 1   35.152  ? 56  A 1 c
ATOM 369  H HA   . MET Axp A    22  ? 155.963 151.228 182.058 1   36.522  ? 56  A 1 c
ATOM 370  H HB3  . MET Axp A    22  ? 154.224 149.916 180.924 1   38.472  ? 56  A 1 c
ATOM 371  H HB2  . MET Axp A    22  ? 154.086 149.096 182.272 1   38.509  ? 56  A 1 c
ATOM 372  H HG3  . MET Axp A    22  ? 156.255 148.296 182.079 1   40.6    ? 56  A 1 c
ATOM 373  H HG2  . MET Axp A    22  ? 156.548 149.255 180.865 1   40.558  ? 56  A 1 c
ATOM 374  H HE3  . MET Axp A    22  ? 155.035 146.581 182.269 1   44.779  ? 56  A 1 c
ATOM 375  H HE2  . MET Axp A    22  ? 156.142 145.706 181.534 1   44.925  ? 56  A 1 c
ATOM 376  H HE1  . MET Axp A    22  ? 154.603 145.494 181.19  1   44.92   ? 56  A 1 c
ATOM 377  N N    . LEU Axp A    23  ? 152.967 151.665 183.226 1   36.046  ? 57  A 1 .
ATOM 378  C CA   . LEU Axp A    23  ? 151.897 152.642 183.355 1   35.506  ? 57  A 1 .
ATOM 379  C C    . LEU Axp A    23  ? 152.442 153.983 183.829 1   34.053  ? 57  A 1 .
ATOM 380  O O    . LEU Axp A    23  ? 152.153 155.024 183.249 1   31.341  ? 57  A 1 .
ATOM 381  C CB   . LEU Axp A    23  ? 150.888 152.088 184.354 1   39.381  ? 57  A 1 .
ATOM 382  C CG   . LEU Axp A    23  ? 149.73  151.265 183.783 1   42.008  ? 57  A 1 .
ATOM 383  C CD1  . LEU Axp A    23  ? 150.232 150.37  182.702 1   45.213  ? 57  A 1 .
ATOM 384  C CD2  . LEU Axp A    23  ? 149.026 150.431 184.842 1   43.74   ? 57  A 1 .
ATOM 385  H H    . LEU Axp A    23  ? 152.861 150.838 183.598 1   36.385  ? 57  A 1 c
ATOM 386  H HA   . LEU Axp A    23  ? 151.464 152.763 182.473 1   36.105  ? 57  A 1 c
ATOM 387  H HB3  . LEU Axp A    23  ? 150.507 152.846 184.855 1   39.005  ? 57  A 1 c
ATOM 388  H HB2  . LEU Axp A    23  ? 151.371 151.53  185.006 1   39.075  ? 57  A 1 c
ATOM 389  H HG   . LEU Axp A    23  ? 149.068 151.89  183.387 1   42.413  ? 57  A 1 c
ATOM 390  H HD11 . LEU Axp A    23  ? 150.504 150.901 181.935 1   44.062  ? 57  A 1 c
ATOM 391  H HD12 . LEU Axp A    23  ? 149.527 149.759 182.433 1   44.15   ? 57  A 1 c
ATOM 392  H HD13 . LEU Axp A    23  ? 150.991 149.86  183.028 1   44.047  ? 57  A 1 c
ATOM 393  H HD21 . LEU Axp A    23  ? 148.471 151.008 185.394 1   43.205  ? 57  A 1 c
ATOM 394  H HD22 . LEU Axp A    23  ? 149.687 149.991 185.401 1   43.225  ? 57  A 1 c
ATOM 395  H HD23 . LEU Axp A    23  ? 148.467 149.761 184.414 1   43.132  ? 57  A 1 c
ATOM 396  N N    . TRP Axp A    24  ? 153.225 153.925 184.907 1   34.694  ? 58  A 1 .
ATOM 397  C CA   . TRP Axp A    24  ? 153.931 155.076 185.444 1   33.919  ? 58  A 1 .
ATOM 398  C C    . TRP Axp A    24  ? 154.619 155.864 184.337 1   31.765  ? 58  A 1 .
ATOM 399  O O    . TRP Axp A    24  ? 154.276 157.008 184.047 1   28.793  ? 58  A 1 .
ATOM 400  C CB   . TRP Axp A    24  ? 154.942 154.555 186.465 1   35.309  ? 58  A 1 .
ATOM 401  C CG   . TRP Axp A    24  ? 155.832 155.6   187.058 1   36.693  ? 58  A 1 .
ATOM 402  C CD1  . TRP Axp A    24  ? 155.622 156.929 186.98  1   38.688  ? 58  A 1 .
ATOM 403  C CD2  . TRP Axp A    24  ? 157.01  155.414 187.877 1   38.968  ? 58  A 1 .
ATOM 404  N NE1  . TRP Axp A    24  ? 156.602 157.583 187.67  1   44.033  ? 58  A 1 .
ATOM 405  C CE2  . TRP Axp A    24  ? 157.459 156.691 188.237 1   39.632  ? 58  A 1 .
ATOM 406  C CE3  . TRP Axp A    24  ? 157.73  154.311 188.336 1   40.072  ? 58  A 1 .
ATOM 407  C CZ2  . TRP Axp A    24  ? 158.585 156.908 189.015 1   41.293  ? 58  A 1 .
ATOM 408  C CZ3  . TRP Axp A    24  ? 158.844 154.522 189.113 1   41.12   ? 58  A 1 .
ATOM 409  C CH2  . TRP Axp A    24  ? 159.268 155.801 189.444 1   42.121  ? 58  A 1 .
ATOM 410  H H    . TRP Axp A    24  ? 153.321 153.123 185.335 1   34.42   ? 58  A 1 c
ATOM 411  H HA   . TRP Axp A    24  ? 153.278 155.666 185.909 1   33.93   ? 58  A 1 c
ATOM 412  H HB3  . TRP Axp A    24  ? 155.501 153.874 186.038 1   35.284  ? 58  A 1 c
ATOM 413  H HB2  . TRP Axp A    24  ? 154.449 154.114 187.19  1   35.294  ? 58  A 1 c
ATOM 414  H HD1  . TRP Axp A    24  ? 154.922 157.36  186.52  1   39.35   ? 58  A 1 c
ATOM 415  H HE1  . TRP Axp A    24  ? 156.664 158.451 187.742 1   41.592  ? 58  A 1 c
ATOM 416  H HE3  . TRP Axp A    24  ? 157.458 153.437 188.114 1   40.072  ? 58  A 1 c
ATOM 417  H HZ2  . TRP Axp A    24  ? 158.865 157.779 189.241 1   41.091  ? 58  A 1 c
ATOM 418  H HZ3  . TRP Axp A    24  ? 159.335 153.78  189.424 1   41.079  ? 58  A 1 c
ATOM 419  H HH2  . TRP Axp A    24  ? 160.032 155.91  189.983 1   41.65   ? 58  A 1 c
ATOM 420  N N    . LEU Axp A    25  ? 155.568 155.205 183.681 1   33.516  ? 59  A 1 .
ATOM 421  C CA   . LEU Axp A    25  ? 156.254 155.804 182.554 1   35.004  ? 59  A 1 .
ATOM 422  C C    . LEU Axp A    25  ? 155.248 156.385 181.561 1   34.409  ? 59  A 1 .
ATOM 423  O O    . LEU Axp A    25  ? 155.393 157.531 181.156 1   36.672  ? 59  A 1 .
ATOM 424  C CB   . LEU Axp A    25  ? 157.178 154.786 181.896 1   34.977  ? 59  A 1 .
ATOM 425  C CG   . LEU Axp A    25  ? 157.963 155.317 180.695 1   35.899  ? 59  A 1 .
ATOM 426  C CD1  . LEU Axp A    25  ? 158.543 156.664 181.03  1   35.337  ? 59  A 1 .
ATOM 427  C CD2  . LEU Axp A    25  ? 159.087 154.377 180.262 1   37.604  ? 59  A 1 .
ATOM 428  H H    . LEU Axp A    25  ? 155.789 154.354 183.931 1   33.458  ? 59  A 1 c
ATOM 429  H HA   . LEU Axp A    25  ? 156.801 156.551 182.905 1   34.624  ? 59  A 1 c
ATOM 430  H HB3  . LEU Axp A    25  ? 156.637 154.018 181.602 1   35.207  ? 59  A 1 c
ATOM 431  H HB2  . LEU Axp A    25  ? 157.819 154.467 182.572 1   35.194  ? 59  A 1 c
ATOM 432  H HG   . LEU Axp A    25  ? 157.337 155.428 179.934 1   35.877  ? 59  A 1 c
ATOM 433  H HD11 . LEU Axp A    25  ? 157.848 157.34  180.997 1   35.602  ? 59  A 1 c
ATOM 434  H HD12 . LEU Axp A    25  ? 159.236 156.887 180.386 1   35.729  ? 59  A 1 c
ATOM 435  H HD13 . LEU Axp A    25  ? 158.928 156.641 181.921 1   35.765  ? 59  A 1 c
ATOM 436  H HD21 . LEU Axp A    25  ? 158.857 153.463 180.499 1   37.095  ? 59  A 1 c
ATOM 437  H HD22 . LEU Axp A    25  ? 159.913 154.628 180.709 1   37.089  ? 59  A 1 c
ATOM 438  H HD23 . LEU Axp A    25  ? 159.209 154.439 179.301 1   37.163  ? 59  A 1 c
ATOM 439  N N    . SER Axp A    26  ? 154.222 155.608 181.191 1   35.575  ? 60  A 1 .
ATOM 440  C CA   . SER Axp A    26  ? 153.154 156.117 180.336 1   35.47   ? 60  A 1 .
ATOM 441  C C    . SER Axp A    26  ? 152.746 157.493 180.843 1   35.306  ? 60  A 1 .
ATOM 442  O O    . SER Axp A    26  ? 152.903 158.516 180.164 1   31.726  ? 60  A 1 .
ATOM 443  C CB   . SER Axp A    26  ? 151.945 155.197 180.264 1   32.91   ? 60  A 1 .
ATOM 444  O OG   . SER Axp A    26  ? 152.32  153.872 179.921 1   31.43   ? 60  A 1 .
ATOM 445  H H    . SER Axp A    26  ? 154.187 154.739 181.474 1   35.241  ? 60  A 1 c
ATOM 446  H HA   . SER Axp A    26  ? 153.518 156.224 179.421 1   34.967  ? 60  A 1 c
ATOM 447  H HB3  . SER Axp A    26  ? 151.323 155.538 179.594 1   33.114  ? 60  A 1 c
ATOM 448  H HB2  . SER Axp A    26  ? 151.486 155.191 181.122 1   33.156  ? 60  A 1 c
ATOM 449  H HG   . SER Axp A    26  ? 151.7   153.361 179.9   0   23.93   ? 60  A 1 c
ATOM 450  N N    . ALA Axp A    27  ? 152.289 157.479 182.092 1   37.907  ? 61  A 1 .
ATOM 451  C CA   . ALA Axp A    27  ? 151.793 158.675 182.733 1   41.18   ? 61  A 1 .
ATOM 452  C C    . ALA Axp A    27  ? 152.881 159.727 182.737 1   35.884  ? 61  A 1 .
ATOM 453  O O    . ALA Axp A    27  ? 152.581 160.899 182.6   1   36.025  ? 61  A 1 .
ATOM 454  C CB   . ALA Axp A    27  ? 151.334 158.369 184.131 1   46.462  ? 61  A 1 .
ATOM 455  H H    . ALA Axp A    27  ? 152.296 156.698 182.566 1   37.973  ? 61  A 1 c
ATOM 456  H HA   . ALA Axp A    27  ? 151.023 159.021 182.201 1   40.394  ? 61  A 1 c
ATOM 457  H HB3  . ALA Axp A    27  ? 150.796 159.106 184.467 1   44.765  ? 61  A 1 c
ATOM 458  H HB2  . ALA Axp A    27  ? 152.104 158.246 184.711 1   44.633  ? 61  A 1 c
ATOM 459  H HB1  . ALA Axp A    27  ? 150.8   157.557 184.131 1   44.726  ? 61  A 1 c
ATOM 460  N N    . ASP Axp A    28  ? 154.127 159.308 182.915 1   33.206  ? 62  A 1 .
ATOM 461  C CA   . ASP Axp A    28  ? 155.193 160.284 182.881 1   35.491  ? 62  A 1 .
ATOM 462  C C    . ASP Axp A    28  ? 155.204 160.99  181.534 1   35.648  ? 62  A 1 .
ATOM 463  O O    . ASP Axp A    28  ? 155.092 162.208 181.463 1   36.28   ? 62  A 1 .
ATOM 464  C CB   . ASP Axp A    28  ? 156.568 159.691 183.107 1   37.342  ? 62  A 1 .
ATOM 465  C CG   . ASP Axp A    28  ? 157.684 160.715 182.957 1   40.477  ? 62  A 1 .
ATOM 466  O OD1  . ASP Axp A    28  ? 157.487 161.844 183.418 1   51.986  ? 62  A 1 .
ATOM 467  O OD2  . ASP Axp A    28  ? 158.744 160.399 182.399 1   38.893  ? 62  A 1 .
ATOM 468  H H    . ASP Axp A    28  ? 154.317 158.43  183.081 1   34.41   ? 62  A 1 c
ATOM 469  H HA   . ASP Axp A    28  ? 155.026 160.95  183.576 1   35.787  ? 62  A 1 c
ATOM 470  H HB3  . ASP Axp A    28  ? 156.73  158.966 182.47  1   37.584  ? 62  A 1 c
ATOM 471  H HB2  . ASP Axp A    28  ? 156.61  159.317 184.012 1   37.595  ? 62  A 1 c
ATOM 472  N N    . LEU Axp A    29  ? 155.36  160.206 180.473 1   36.539  ? 63  A 1 .
ATOM 473  C CA   . LEU Axp A    29  ? 155.464 160.744 179.131 1   37.177  ? 63  A 1 .
ATOM 474  C C    . LEU Axp A    29  ? 154.205 161.543 178.787 1   40.031  ? 63  A 1 .
ATOM 475  O O    . LEU Axp A    29  ? 154.313 162.633 178.235 1   37.761  ? 63  A 1 .
ATOM 476  C CB   . LEU Axp A    29  ? 155.655 159.604 178.136 1   37.724  ? 63  A 1 .
ATOM 477  C CG   . LEU Axp A    29  ? 156.76  158.588 178.431 1   37.793  ? 63  A 1 .
ATOM 478  C CD1  . LEU Axp A    29  ? 156.568 157.307 177.59  1   39.428  ? 63  A 1 .
ATOM 479  C CD2  . LEU Axp A    29  ? 158.087 159.248 178.178 1   35.555  ? 63  A 1 .
ATOM 480  H H    . LEU Axp A    29  ? 155.375 159.3   180.588 1   36.48   ? 63  A 1 c
ATOM 481  H HA   . LEU Axp A    29  ? 156.249 161.347 179.095 1   37.644  ? 63  A 1 c
ATOM 482  H HB3  . LEU Axp A    29  ? 155.828 160     177.251 1   37.597  ? 63  A 1 c
ATOM 483  H HB2  . LEU Axp A    29  ? 154.802 159.117 178.067 1   37.632  ? 63  A 1 c
ATOM 484  H HG   . LEU Axp A    29  ? 156.716 158.34  179.386 1   37.598  ? 63  A 1 c
ATOM 485  H HD11 . LEU Axp A    29  ? 155.807 156.807 177.929 1   38.874  ? 63  A 1 c
ATOM 486  H HD12 . LEU Axp A    29  ? 157.368 156.758 177.647 1   38.867  ? 63  A 1 c
ATOM 487  H HD13 . LEU Axp A    29  ? 156.408 157.549 176.663 1   38.837  ? 63  A 1 c
ATOM 488  H HD21 . LEU Axp A    29  ? 158.201 159.996 178.789 1   36.224  ? 63  A 1 c
ATOM 489  H HD22 . LEU Axp A    29  ? 158.121 159.571 177.262 1   36.221  ? 63  A 1 c
ATOM 490  H HD23 . LEU Axp A    29  ? 158.802 158.605 178.319 1   36.214  ? 63  A 1 c
ATOM 491  N N    . LYS Axp A    30  ? 153.004 160.997 179.045 1   40.901  ? 64  A 1 .
ATOM 492  C CA   . LYS Axp A    30  ? 151.798 161.714 178.661 1   43.58   ? 64  A 1 .
ATOM 493  C C    . LYS Axp A    30  ? 151.78  163.094 179.328 1   47.795  ? 64  A 1 .
ATOM 494  O O    . LYS Axp A    30  ? 151.437 164.12  178.734 1   52.598  ? 64  A 1 .
ATOM 495  C CB   . LYS Axp A    30  ? 150.511 160.994 179.053 1   42.682  ? 64  A 1 .
ATOM 496  C CG   . LYS Axp A    30  ? 149.267 161.742 178.597 1   43.66   ? 64  A 1 .
ATOM 497  C CD   . LYS Axp A    30  ? 147.999 161.442 179.384 1   43.433  ? 64  A 1 .
ATOM 498  C CE   . LYS Axp A    30  ? 147.326 160.191 178.958 1   41.582  ? 64  A 1 .
ATOM 499  N NZ   . LYS Axp A    30  ? 145.921 160.209 179.339 1   42.686  ? 64  A 1 .
ATOM 500  H H    . LYS Axp A    30  ? 152.938 160.183 179.454 1   41.25   ? 64  A 1 c
ATOM 501  H HA   . LYS Axp A    30  ? 151.809 161.839 177.679 1   43.57   ? 64  A 1 c
ATOM 502  H HB3  . LYS Axp A    30  ? 150.482 160.894 180.028 1   43.123  ? 64  A 1 c
ATOM 503  H HB2  . LYS Axp A    30  ? 150.506 160.097 178.656 1   43.079  ? 64  A 1 c
ATOM 504  H HG3  . LYS Axp A    30  ? 149.109 161.534 177.657 1   43.301  ? 64  A 1 c
ATOM 505  H HG2  . LYS Axp A    30  ? 149.444 162.704 178.653 1   43.442  ? 64  A 1 c
ATOM 506  H HD3  . LYS Axp A    30  ? 147.375 162.192 179.276 1   43.037  ? 64  A 1 c
ATOM 507  H HD2  . LYS Axp A    30  ? 148.224 161.375 180.338 1   43.043  ? 64  A 1 c
ATOM 508  H HE3  . LYS Axp A    30  ? 147.762 159.42  179.364 1   42.253  ? 64  A 1 c
ATOM 509  H HE2  . LYS Axp A    30  ? 147.379 160.107 177.993 1   42.222  ? 64  A 1 c
ATOM 510  H HZ1  . LYS Axp A    30  ? 145.442 160.657 178.715 1   42.345  ? 64  A 1 c
ATOM 511  H HZ2  . LYS Axp A    30  ? 145.82  160.619 180.141 1   42.351  ? 64  A 1 c
ATOM 512  H HZ3  . LYS Axp A    30  ? 145.61  159.36  179.399 1   42.345  ? 64  A 1 c
ATOM 513  N N    . PHE Axp A    31  ? 152.128 163.13  180.604 1   47.791  ? 65  A 1 .
ATOM 514  C CA   . PHE Axp A    31  ? 152.17  164.41  181.276 1   51.646  ? 65  A 1 .
ATOM 515  C C    . PHE Axp A    31  ? 153.32  165.228 180.699 1   47.162  ? 65  A 1 .
ATOM 516  O O    . PHE Axp A    31  ? 153.108 166.221 180.011 1   48.743  ? 65  A 1 .
ATOM 517  C CB   . PHE Axp A    31  ? 152.339 164.212 182.781 1   58.677  ? 65  A 1 .
ATOM 518  C CG   . PHE Axp A    31  ? 152.704 165.499 183.5   1   60.552  ? 65  A 1 .
ATOM 519  C CD1  . PHE Axp A    31  ? 151.713 166.4   183.893 1   66.694  ? 65  A 1 .
ATOM 520  C CD2  . PHE Axp A    31  ? 154.033 165.808 183.747 1   57.573  ? 65  A 1 .
ATOM 521  C CE1  . PHE Axp A    31  ? 152.045 167.569 184.552 1   66.62   ? 65  A 1 .
ATOM 522  C CE2  . PHE Axp A    31  ? 154.361 166.979 184.395 1   62.701  ? 65  A 1 .
ATOM 523  C CZ   . PHE Axp A    31  ? 153.37  167.853 184.799 1   69.672  ? 65  A 1 .
ATOM 524  H H    . PHE Axp A    31  ? 152.331 162.366 181.063 1   48.664  ? 65  A 1 c
ATOM 525  H HA   . PHE Axp A    31  ? 151.316 164.887 181.11  1   51.31   ? 65  A 1 c
ATOM 526  H HB3  . PHE Axp A    31  ? 153.042 163.544 182.938 1   57.085  ? 65  A 1 c
ATOM 527  H HB2  . PHE Axp A    31  ? 151.496 163.865 183.15  1   57.345  ? 65  A 1 c
ATOM 528  H HD1  . PHE Axp A    31  ? 150.806 166.197 183.728 1   65.145  ? 65  A 1 c
ATOM 529  H HD2  . PHE Axp A    31  ? 154.712 165.208 183.484 1   59.286  ? 65  A 1 c
ATOM 530  H HE1  . PHE Axp A    31  ? 151.37  168.172 184.821 1   67.19   ? 65  A 1 c
ATOM 531  H HE2  . PHE Axp A    31  ? 155.266 167.178 184.574 1   63.227  ? 65  A 1 c
ATOM 532  H HZ   . PHE Axp A    31  ? 153.603 168.655 185.239 1   67.14   ? 65  A 1 c
ATOM 533  N N    . ARG Axp A    32  ? 154.544 164.796 180.989 1   41.785  ? 66  A 1 .
ATOM 534  C CA   . ARG Axp A    32  ? 155.716 165.516 180.542 1   40.002  ? 66  A 1 .
ATOM 535  C C    . ARG Axp A    32  ? 155.517 166.035 179.111 1   41.206  ? 66  A 1 .
ATOM 536  O O    . ARG Axp A    32  ? 156.016 167.095 178.784 1   41.585  ? 66  A 1 .
ATOM 537  C CB   . ARG Axp A    32  ? 156.939 164.617 180.746 1   39.558  ? 66  A 1 .
ATOM 538  C CG   . ARG Axp A    32  ? 158.232 165.394 180.912 1   42.695  ? 66  A 1 .
ATOM 539  C CD   . ARG Axp A    32  ? 159.439 164.549 181.219 1   44.262  ? 66  A 1 .
ATOM 540  N NE   . ARG Axp A    32  ? 160.68  165.281 180.947 1   47.251  ? 66  A 1 .
ATOM 541  C CZ   . ARG Axp A    32  ? 161.892 164.728 180.982 1   59.984  ? 66  A 1 .
ATOM 542  N NH1  . ARG Axp A    32  ? 162.032 163.456 181.249 1   69.076  ? 66  A 1 .
ATOM 543  N NH2  . ARG Axp A    32  ? 162.996 165.41  180.753 1   72.212  ? 66  A 1 .
ATOM 544  H H    . ARG Axp A    32  ? 154.652 164.023 181.464 1   42.895  ? 66  A 1 c
ATOM 545  H HA   . ARG Axp A    32  ? 155.827 166.304 181.133 1   40.502  ? 66  A 1 c
ATOM 546  H HB3  . ARG Axp A    32  ? 157.025 164.016 179.976 1   40.359  ? 66  A 1 c
ATOM 547  H HB2  . ARG Axp A    32  ? 156.802 164.065 181.545 1   40.363  ? 66  A 1 c
ATOM 548  H HG3  . ARG Axp A    32  ? 158.117 166.052 181.632 1   42.342  ? 66  A 1 c
ATOM 549  H HG2  . ARG Axp A    32  ? 158.402 165.895 180.085 1   42.538  ? 66  A 1 c
ATOM 550  H HD3  . ARG Axp A    32  ? 159.415 163.736 180.676 1   44.704  ? 66  A 1 c
ATOM 551  H HD2  . ARG Axp A    32  ? 159.419 164.286 182.162 1   44.606  ? 66  A 1 c
ATOM 552  H HE   . ARG Axp A    32  ? 160.629 166.127 180.756 1   49.385  ? 66  A 1 c
ATOM 553  H HH11 . ARG Axp A    32  ? 162.368 163.203 182.026 1   66.012  ? 66  A 1 c
ATOM 554  H HH12 . ARG Axp A    32  ? 161.788 162.857 180.648 1   65.604  ? 66  A 1 c
ATOM 555  H HH21 . ARG Axp A    32  ? 163.041 165.951 180.055 1   68.2    ? 66  A 1 c
ATOM 556  H HH22 . ARG Axp A    32  ? 163.687 165.324 181.297 1   68.205  ? 66  A 1 c
ATOM 557  N N    . ILE Axp A    33  ? 154.771 165.337 178.242 1   43.818  ? 67  A 1 .
ATOM 558  C CA   . ILE Axp A    33  ? 154.685 165.729 176.836 1   44.448  ? 67  A 1 .
ATOM 559  C C    . ILE Axp A    33  ? 153.387 166.469 176.527 1   45.348  ? 67  A 1 .
ATOM 560  O O    . ILE Axp A    33  ? 153.403 167.533 175.922 1   43.361  ? 67  A 1 .
ATOM 561  C CB   . ILE Axp A    33  ? 154.841 164.52  175.894 1   45.744  ? 67  A 1 .
ATOM 562  C CG1  . ILE Axp A    33  ? 156.307 164.042 175.889 1   47.343  ? 67  A 1 .
ATOM 563  C CG2  . ILE Axp A    33  ? 154.301 164.873 174.501 1   45.44   ? 67  A 1 .
ATOM 564  C CD1  . ILE Axp A    33  ? 156.681 163.07  174.796 1   49.594  ? 67  A 1 .
ATOM 565  H H    . ILE Axp A    33  ? 154.328 164.587 178.518 1   43.333  ? 67  A 1 c
ATOM 566  H HA   . ILE Axp A    33  ? 155.424 166.34  176.651 1   44.708  ? 67  A 1 c
ATOM 567  H HB   . ILE Axp A    33  ? 154.293 163.795 176.248 1   45.675  ? 67  A 1 c
ATOM 568  H HG12 . ILE Axp A    33  ? 156.495 163.621 176.753 1   47.481  ? 67  A 1 c
ATOM 569  H HG13 . ILE Axp A    33  ? 156.886 164.827 175.812 1   47.451  ? 67  A 1 c
ATOM 570  H HG21 . ILE Axp A    33  ? 154.58  164.198 173.862 1   45.497  ? 67  A 1 c
ATOM 571  H HG22 . ILE Axp A    33  ? 154.649 165.738 174.225 1   45.524  ? 67  A 1 c
ATOM 572  H HG23 . ILE Axp A    33  ? 153.33  164.908 174.524 1   45.541  ? 67  A 1 c
ATOM 573  H HD11 . ILE Axp A    33  ? 155.932 162.47  174.62  1   48.875  ? 67  A 1 c
ATOM 574  H HD12 . ILE Axp A    33  ? 157.455 162.546 175.075 1   48.893  ? 67  A 1 c
ATOM 575  H HD13 . ILE Axp A    33  ? 156.9   163.562 173.982 1   48.843  ? 67  A 1 c
ATOM 576  N N    . LYS Axp A    34  ? 152.258 165.844 176.85  1   51.314  ? 68  A 1 .
ATOM 577  C CA   . LYS Axp A    34  ? 150.958 166.35  176.451 1   51.26   ? 68  A 1 .
ATOM 578  C C    . LYS Axp A    34  ? 150.49  167.428 177.418 1   54.203  ? 68  A 1 .
ATOM 579  O O    . LYS Axp A    34  ? 149.731 168.302 177.031 1   55.629  ? 68  A 1 .
ATOM 580  C CB   . LYS Axp A    34  ? 149.915 165.234 176.461 1   53.999  ? 68  A 1 .
ATOM 581  C CG   . LYS Axp A    34  ? 148.544 165.635 175.95  1   61.907  ? 68  A 1 .
ATOM 582  C CD   . LYS Axp A    34  ? 147.457 164.703 176.466 1   66.795  ? 68  A 1 .
ATOM 583  C CE   . LYS Axp A    34  ? 146.049 165.059 176.106 1   67.357  ? 68  A 1 .
ATOM 584  N NZ   . LYS Axp A    34  ? 145.156 164.559 177.165 1   74.886  ? 68  A 1 .
ATOM 585  H H    . LYS Axp A    34  ? 152.298 165.071 177.335 1   49.751  ? 68  A 1 c
ATOM 586  H HA   . LYS Axp A    34  ? 151.027 166.734 175.54  1   52.192  ? 68  A 1 c
ATOM 587  H HB3  . LYS Axp A    34  ? 149.816 164.905 177.378 1   55.144  ? 68  A 1 c
ATOM 588  H HB2  . LYS Axp A    34  ? 150.246 164.492 175.913 1   54.916  ? 68  A 1 c
ATOM 589  H HG3  . LYS Axp A    34  ? 148.552 165.612 174.968 1   61.027  ? 68  A 1 c
ATOM 590  H HG2  . LYS Axp A    34  ? 148.346 166.551 176.234 1   60.973  ? 68  A 1 c
ATOM 591  H HD3  . LYS Axp A    34  ? 147.532 164.669 177.445 1   65.799  ? 68  A 1 c
ATOM 592  H HD2  . LYS Axp A    34  ? 147.645 163.799 176.133 1   65.78   ? 68  A 1 c
ATOM 593  H HE3  . LYS Axp A    34  ? 145.806 164.65  175.256 1   68.922  ? 68  A 1 c
ATOM 594  H HE2  . LYS Axp A    34  ? 145.955 166.025 176.03  1   68.922  ? 68  A 1 c
ATOM 595  H HZ1  . LYS Axp A    34  ? 145.599 164.006 177.729 1   72.379  ? 68  A 1 c
ATOM 596  H HZ2  . LYS Axp A    34  ? 144.473 164.097 176.795 1   72.457  ? 68  A 1 c
ATOM 597  H HZ3  . LYS Axp A    34  ? 144.825 165.256 177.64  1   72.457  ? 68  A 1 c
ATOM 598  N N    . GLN Axp A    35  ? 150.913 167.366 178.681 1   59.963  ? 69  A 1 .
ATOM 599  C CA   . GLN Axp A    35  ? 150.517 168.384 179.645 1   59.902  ? 69  A 1 .
ATOM 600  C C    . GLN Axp A    35  ? 151.543 169.507 179.629 1   56.845  ? 69  A 1 .
ATOM 601  O O    . GLN Axp A    35  ? 151.213 170.643 179.331 1   65.547  ? 69  A 1 .
ATOM 602  C CB   . GLN Axp A    35  ? 150.452 167.827 181.067 1   67.882  ? 69  A 1 .
ATOM 603  C CG   . GLN Axp A    35  ? 149.156 168.145 181.806 1   71.389  ? 69  A 1 .
ATOM 604  C CD   . GLN Axp A    35  ? 148.255 166.945 182.023 1   77.134  ? 69  A 1 .
ATOM 605  O OE1  . GLN Axp A    35  ? 148.514 165.793 181.625 1   77.531  ? 69  A 1 .
ATOM 606  N NE2  . GLN Axp A    35  ? 147.158 167.232 182.696 1   76.338  ? 69  A 1 .
ATOM 607  H H    . GLN Axp A    35  ? 151.454 166.681 178.952 1   58.414  ? 69  A 1 c
ATOM 608  H HA   . GLN Axp A    35  ? 149.633 168.747 179.384 1   60.786  ? 69  A 1 c
ATOM 609  H HB3  . GLN Axp A    35  ? 151.202 168.187 181.584 1   66.517  ? 69  A 1 c
ATOM 610  H HB2  . GLN Axp A    35  ? 150.564 166.857 181.027 1   66.565  ? 69  A 1 c
ATOM 611  H HG3  . GLN Axp A    35  ? 148.655 168.823 181.305 1   71.685  ? 69  A 1 c
ATOM 612  H HG2  . GLN Axp A    35  ? 149.375 168.529 182.682 1   71.844  ? 69  A 1 c
ATOM 613  H HE21 . GLN Axp A    35  ? 146.466 166.678 182.667 1   76.561  ? 69  A 1 c
ATOM 614  H HE22 . GLN Axp A    35  ? 147.11  167.976 183.178 1   76.503  ? 69  A 1 c
ATOM 615  N N    . LYS Axp A    36  ? 152.793 169.18  179.959 1   56.883  ? 70  A 1 .
ATOM 616  C CA   . LYS Axp A    36  ? 153.843 170.177 180.065 1   56.929  ? 70  A 1 .
ATOM 617  C C    . LYS Axp A    36  ? 154.336 170.592 178.681 1   53.255  ? 70  A 1 .
ATOM 618  O O    . LYS Axp A    36  ? 154.948 171.634 178.54  1   57.628  ? 70  A 1 .
ATOM 619  C CB   . LYS Axp A    36  ? 155.002 169.662 180.922 1   62.872  ? 70  A 1 .
ATOM 620  C CG   . LYS Axp A    36  ? 154.97  170.088 182.383 1   71.347  ? 70  A 1 .
ATOM 621  C CD   . LYS Axp A    36  ? 156.138 169.55  183.211 1   82.612  ? 70  A 1 .
ATOM 622  C CE   . LYS Axp A    36  ? 157.5   170.153 182.924 1   88.121  ? 70  A 1 .
ATOM 623  N NZ   . LYS Axp A    36  ? 158.589 169.341 183.484 1   85.95   ? 70  A 1 .
ATOM 624  H H    . LYS Axp A    36  ? 153     168.303 180.112 1   57.136  ? 70  A 1 c
ATOM 625  H HA   . LYS Axp A    36  ? 153.464 170.977 180.512 1   57.369  ? 70  A 1 c
ATOM 626  H HB3  . LYS Axp A    36  ? 155.844 169.977 180.53  1   63.334  ? 70  A 1 c
ATOM 627  H HB2  . LYS Axp A    36  ? 155.009 168.682 180.887 1   63.208  ? 70  A 1 c
ATOM 628  H HG3  . LYS Axp A    36  ? 154.128 169.777 182.78  1   71.642  ? 70  A 1 c
ATOM 629  H HG2  . LYS Axp A    36  ? 154.976 171.069 182.422 1   71.65   ? 70  A 1 c
ATOM 630  H HD3  . LYS Axp A    36  ? 156.193 168.581 183.065 1   80.874  ? 70  A 1 c
ATOM 631  H HD2  . LYS Axp A    36  ? 155.93  169.687 184.161 1   81.046  ? 70  A 1 c
ATOM 632  H HE3  . LYS Axp A    36  ? 157.542 171.044 183.313 1   86.21   ? 70  A 1 c
ATOM 633  H HE2  . LYS Axp A    36  ? 157.622 170.242 181.963 1   85.7    ? 70  A 1 c
ATOM 634  H HZ1  . LYS Axp A    36  ? 158.586 168.519 183.104 1   86.573  ? 70  A 1 c
ATOM 635  H HZ2  . LYS Axp A    36  ? 158.478 169.255 184.379 1   86.603  ? 70  A 1 c
ATOM 636  H HZ3  . LYS Axp A    36  ? 159.385 169.741 183.32  1   86.603  ? 70  A 1 c
ATOM 637  N N    . GLY Axp A    37  ? 154.123 169.766 177.665 1   51.234  ? 71  A 1 .
ATOM 638  C CA   . GLY Axp A    37  ? 154.398 170.183 176.305 1   48.405  ? 71  A 1 .
ATOM 639  C C    . GLY Axp A    37  ? 155.872 170.092 175.905 1   45.693  ? 71  A 1 .
ATOM 640  O O    . GLY Axp A    37  ? 156.232 170.638 174.875 1   42.51   ? 71  A 1 .
ATOM 641  H H    . GLY Axp A    37  ? 153.808 168.922 177.817 1   51.095  ? 71  A 1 c
ATOM 642  H HA3  . GLY Axp A    37  ? 154.095 171.115 176.196 1   48.505  ? 71  A 1 c
ATOM 643  H HA2  . GLY Axp A    37  ? 153.865 169.631 175.691 1   48.412  ? 71  A 1 c
ATOM 644  N N    . GLU Axp A    38  ? 156.731 169.366 176.626 1   46.784  ? 72  A 1 .
ATOM 645  C CA   . GLU Axp A    38  ? 158.124 169.307 176.186 1   56.83   ? 72  A 1 .
ATOM 646  C C    . GLU Axp A    38  ? 158.325 168.211 175.131 1   55.056  ? 72  A 1 .
ATOM 647  O O    . GLU Axp A    38  ? 157.485 167.346 174.962 1   59.866  ? 72  A 1 .
ATOM 648  C CB   . GLU Axp A    38  ? 159.101 169.263 177.364 1   65.373  ? 72  A 1 .
ATOM 649  C CG   . GLU Axp A    38  ? 158.806 168.196 178.413 1   67.477  ? 72  A 1 .
ATOM 650  C CD   . GLU Axp A    38  ? 159.528 168.362 179.754 1   67.256  ? 72  A 1 .
ATOM 651  O OE1  . GLU Axp A    38  ? 158.994 169.05  180.639 1   51.685  ? 72  A 1 .
ATOM 652  O OE2  . GLU Axp A    38  ? 160.629 167.799 179.941 1   76.092  ? 72  A 1 .
ATOM 653  H H    . GLU Axp A    38  ? 156.459 168.906 177.366 1   48.857  ? 72  A 1 c
ATOM 654  H HA   . GLU Axp A    38  ? 158.322 170.167 175.736 1   55.711  ? 72  A 1 c
ATOM 655  H HB3  . GLU Axp A    38  ? 159.098 170.138 177.804 1   63.784  ? 72  A 1 c
ATOM 656  H HB2  . GLU Axp A    38  ? 160.004 169.11  177.014 1   63.784  ? 72  A 1 c
ATOM 657  H HG3  . GLU Axp A    38  ? 159.04  167.318 178.045 1   66.826  ? 72  A 1 c
ATOM 658  H HG2  . GLU Axp A    38  ? 157.847 168.188 178.591 1   66.352  ? 72  A 1 c
ATOM 659  N N    . TYR Axp A    39  ? 159.434 168.272 174.384 1   54.626  ? 73  A 1 .
ATOM 660  C CA   . TYR Axp A    39  ? 159.731 167.31  173.328 1   56.457  ? 73  A 1 .
ATOM 661  C C    . TYR Axp A    39  ? 160.76  166.307 173.849 1   54.389  ? 73  A 1 .
ATOM 662  O O    . TYR Axp A    39  ? 161.815 166.704 174.331 1   51.975  ? 73  A 1 .
ATOM 663  C CB   . TYR Axp A    39  ? 160.26  168.04  172.084 1   59.418  ? 73  A 1 .
ATOM 664  C CG   . TYR Axp A    39  ? 160.818 167.092 171.034 1   62.897  ? 73  A 1 .
ATOM 665  C CD1  . TYR Axp A    39  ? 159.973 166.192 170.395 1   74.942  ? 73  A 1 .
ATOM 666  C CD2  . TYR Axp A    39  ? 162.169 167.06  170.706 1   60.165  ? 73  A 1 .
ATOM 667  C CE1  . TYR Axp A    39  ? 160.449 165.291 169.454 1   72.213  ? 73  A 1 .
ATOM 668  C CE2  . TYR Axp A    39  ? 162.658 166.156 169.775 1   65.272  ? 73  A 1 .
ATOM 669  C CZ   . TYR Axp A    39  ? 161.797 165.265 169.153 1   66.015  ? 73  A 1 .
ATOM 670  O OH   . TYR Axp A    39  ? 162.24  164.365 168.233 1   64.698  ? 73  A 1 .
ATOM 671  H H    . TYR Axp A    39  ? 160.033 168.944 174.541 1   55.179  ? 73  A 1 c
ATOM 672  H HA   . TYR Axp A    39  ? 158.898 166.825 173.086 1   56.227  ? 73  A 1 c
ATOM 673  H HB3  . TYR Axp A    39  ? 160.967 168.664 172.361 1   59.494  ? 73  A 1 c
ATOM 674  H HB2  . TYR Axp A    39  ? 159.527 168.561 171.688 1   59.502  ? 73  A 1 c
ATOM 675  H HD1  . TYR Axp A    39  ? 159.053 166.192 170.607 1   71.107  ? 73  A 1 c
ATOM 676  H HD2  . TYR Axp A    39  ? 162.766 167.65  171.138 1   62.07   ? 73  A 1 c
ATOM 677  H HE1  . TYR Axp A    39  ? 159.861 164.687 169.035 1   70.792  ? 73  A 1 c
ATOM 678  H HE2  . TYR Axp A    39  ? 163.576 166.145 169.566 1   64.281  ? 73  A 1 c
ATOM 679  H HH   . TYR Axp A    39  ? 161.436 163.913 167.868 0   54.96   ? 73  A 1 c
ATOM 680  N N    . LEU Axp A    40  ? 160.478 165.003 173.745 1   53.07   ? 74  A 1 .
ATOM 681  C CA   . LEU Axp A    40  ? 161.369 164.009 174.335 1   49.605  ? 74  A 1 .
ATOM 682  C C    . LEU Axp A    40  ? 161.924 163.031 173.304 1   54.163  ? 74  A 1 .
ATOM 683  O O    . LEU Axp A    40  ? 161.339 161.984 172.996 1   60.204  ? 74  A 1 .
ATOM 684  C CB   . LEU Axp A    40  ? 160.615 163.267 175.423 1   48.811  ? 74  A 1 .
ATOM 685  C CG   . LEU Axp A    40  ? 160.681 163.868 176.826 1   47.699  ? 74  A 1 .
ATOM 686  C CD1  . LEU Axp A    40  ? 161.051 165.338 176.872 1   51.318  ? 74  A 1 .
ATOM 687  C CD2  . LEU Axp A    40  ? 159.306 163.68  177.449 1   47.637  ? 74  A 1 .
ATOM 688  H H    . LEU Axp A    40  ? 159.727 164.726 173.303 1   52.606  ? 74  A 1 c
ATOM 689  H HA   . LEU Axp A    40  ? 162.128 164.48  174.747 1   50.92   ? 74  A 1 c
ATOM 690  H HB3  . LEU Axp A    40  ? 160.968 162.354 175.466 1   48.785  ? 74  A 1 c
ATOM 691  H HB2  . LEU Axp A    40  ? 159.671 163.206 175.151 1   48.78   ? 74  A 1 c
ATOM 692  H HG   . LEU Axp A    40  ? 161.343 163.357 177.358 1   48.546  ? 74  A 1 c
ATOM 693  H HD11 . LEU Axp A    40  ? 161.959 165.46  176.551 1   50.244  ? 74  A 1 c
ATOM 694  H HD12 . LEU Axp A    40  ? 160.992 165.656 177.789 1   50.232  ? 74  A 1 c
ATOM 695  H HD13 . LEU Axp A    40  ? 160.436 165.846 176.319 1   50.267  ? 74  A 1 c
ATOM 696  H HD21 . LEU Axp A    40  ? 158.95  162.809 177.204 1   47.67   ? 74  A 1 c
ATOM 697  H HD22 . LEU Axp A    40  ? 158.708 164.375 177.131 1   47.67   ? 74  A 1 c
ATOM 698  H HD23 . LEU Axp A    40  ? 159.379 163.737 178.416 1   47.64   ? 74  A 1 c
ATOM 699  N N    . PRO Axp A    41  ? 163.131 163.331 172.795 1   49.985  ? 75  A 1 .
ATOM 700  C CA   . PRO Axp A    41  ? 163.809 162.489 171.818 1   51.979  ? 75  A 1 .
ATOM 701  C C    . PRO Axp A    41  ? 164.357 161.174 172.366 1   50.223  ? 75  A 1 .
ATOM 702  O O    . PRO Axp A    41  ? 165.321 160.638 171.817 1   53.789  ? 75  A 1 .
ATOM 703  C CB   . PRO Axp A    41  ? 164.946 163.37  171.327 1   50.532  ? 75  A 1 .
ATOM 704  C CG   . PRO Axp A    41  ? 165.228 164.141 172.592 1   52.524  ? 75  A 1 .
ATOM 705  C CD   . PRO Axp A    41  ? 163.897 164.529 173.125 1   48.476  ? 75  A 1 .
ATOM 706  H HA   . PRO Axp A    41  ? 163.199 162.303 171.075 1   50.918  ? 75  A 1 c
ATOM 707  H HB3  . PRO Axp A    41  ? 164.654 163.96  170.605 1   51.306  ? 75  A 1 c
ATOM 708  H HB2  . PRO Axp A    41  ? 165.719 162.844 171.046 1   51.329  ? 75  A 1 c
ATOM 709  H HG3  . PRO Axp A    41  ? 165.766 164.935 172.401 1   51.111  ? 75  A 1 c
ATOM 710  H HG2  . PRO Axp A    41  ? 165.708 163.585 173.238 1   51.108  ? 75  A 1 c
ATOM 711  H HD3  . PRO Axp A    41  ? 163.929 164.682 174.088 1   49.731  ? 75  A 1 c
ATOM 712  H HD2  . PRO Axp A    41  ? 163.537 165.317 172.674 1   49.72   ? 75  A 1 c
ATOM 713  N N    . LEU Axp A    42  ? 163.685 160.617 173.379 1   44.735  ? 76  A 1 .
ATOM 714  C CA   . LEU Axp A    42  ? 164.1   159.345 173.941 1   45.595  ? 76  A 1 .
ATOM 715  C C    . LEU Axp A    42  ? 164.476 158.361 172.835 1   43.919  ? 76  A 1 .
ATOM 716  O O    . LEU Axp A    42  ? 165.488 157.665 172.918 1   39.956  ? 76  A 1 .
ATOM 717  C CB   . LEU Axp A    42  ? 162.997 158.753 174.813 1   47.795  ? 76  A 1 .
ATOM 718  C CG   . LEU Axp A    42  ? 162.735 159.445 176.151 1   46.894  ? 76  A 1 .
ATOM 719  C CD1  . LEU Axp A    42  ? 163.843 160.434 176.38  1   46.988  ? 76  A 1 .
ATOM 720  C CD2  . LEU Axp A    42  ? 161.392 160.1   176.227 1   46.72   ? 76  A 1 .
ATOM 721  H H    . LEU Axp A    42  ? 162.939 161.024 173.714 1   46.325  ? 76  A 1 c
ATOM 722  H HA   . LEU Axp A    42  ? 164.908 159.498 174.489 1   45.53   ? 76  A 1 c
ATOM 723  H HB3  . LEU Axp A    42  ? 163.223 157.812 174.994 1   47.059  ? 76  A 1 c
ATOM 724  H HB2  . LEU Axp A    42  ? 162.162 158.754 174.292 1   47.071  ? 76  A 1 c
ATOM 725  H HG   . LEU Axp A    42  ? 162.783 158.76  176.867 1   47.043  ? 76  A 1 c
ATOM 726  H HD11 . LEU Axp A    42  ? 164.702 159.983 176.338 1   46.933  ? 76  A 1 c
ATOM 727  H HD12 . LEU Axp A    42  ? 163.738 160.833 177.26  1   46.946  ? 76  A 1 c
ATOM 728  H HD13 . LEU Axp A    42  ? 163.807 161.135 175.71  1   46.917  ? 76  A 1 c
ATOM 729  H HD21 . LEU Axp A    42  ? 160.733 159.452 176.529 1   46.785  ? 76  A 1 c
ATOM 730  H HD22 . LEU Axp A    42  ? 161.14  160.428 175.349 1   46.812  ? 76  A 1 c
ATOM 731  H HD23 . LEU Axp A    42  ? 161.425 160.84  176.855 1   46.8    ? 76  A 1 c
ATOM 732  N N    . LEU Axp A    43  ? 163.657 158.314 171.79  1   42.166  ? 77  A 1 .
ATOM 733  C CA   . LEU Axp A    43  ? 163.823 157.286 170.784 1   43.861  ? 77  A 1 .
ATOM 734  C C    . LEU Axp A    43  ? 164.59  157.831 169.591 1   42.517  ? 77  A 1 .
ATOM 735  O O    . LEU Axp A    43  ? 164.495 157.291 168.5   1   46.085  ? 77  A 1 .
ATOM 736  C CB   . LEU Axp A    43  ? 162.456 156.766 170.352 1   44.851  ? 77  A 1 .
ATOM 737  C CG   . LEU Axp A    43  ? 161.901 155.581 171.139 1   45.196  ? 77  A 1 .
ATOM 738  C CD1  . LEU Axp A    43  ? 162.131 155.704 172.633 1   46.067  ? 77  A 1 .
ATOM 739  C CD2  . LEU Axp A    43  ? 160.418 155.467 170.789 1   45.254  ? 77  A 1 .
ATOM 740  H H    . LEU Axp A    43  ? 162.982 158.923 171.702 1   42.917  ? 77  A 1 c
ATOM 741  H HA   . LEU Axp A    43  ? 164.343 156.54  171.176 1   43.459  ? 77  A 1 c
ATOM 742  H HB3  . LEU Axp A    43  ? 162.512 156.501 169.407 1   44.448  ? 77  A 1 c
ATOM 743  H HB2  . LEU Axp A    43  ? 161.81  157.506 170.406 1   44.381  ? 77  A 1 c
ATOM 744  H HG   . LEU Axp A    43  ? 162.357 154.759 170.823 1   45.304  ? 77  A 1 c
ATOM 745  H HD11 . LEU Axp A    43  ? 163.064 155.522 172.837 1   45.768  ? 77  A 1 c
ATOM 746  H HD12 . LEU Axp A    43  ? 161.569 155.063 173.1   1   45.762  ? 77  A 1 c
ATOM 747  H HD13 . LEU Axp A    43  ? 161.906 156.603 172.925 1   45.773  ? 77  A 1 c
ATOM 748  H HD21 . LEU Axp A    43  ? 160.278 155.743 169.868 1   45.162  ? 77  A 1 c
ATOM 749  H HD22 . LEU Axp A    43  ? 159.901 156.038 171.379 1   45.015  ? 77  A 1 c
ATOM 750  H HD23 . LEU Axp A    43  ? 160.13  154.546 170.898 1   45.105  ? 77  A 1 c
ATOM 751  N N    . GLN Axp A    44  ? 165.376 158.877 169.758 1   40.399  ? 78  A 1 .
ATOM 752  C CA   . GLN Axp A    44  ? 166.132 159.295 168.598 1   45.15   ? 78  A 1 .
ATOM 753  C C    . GLN Axp A    44  ? 167.137 158.194 168.295 1   41.479  ? 78  A 1 .
ATOM 754  O O    . GLN Axp A    44  ? 167.655 157.585 169.225 1   36.081  ? 78  A 1 .
ATOM 755  C CB   . GLN Axp A    44  ? 166.783 160.657 168.808 1   56.272  ? 78  A 1 .
ATOM 756  C CG   . GLN Axp A    44  ? 168.187 160.621 169.395 1   61.541  ? 78  A 1 .
ATOM 757  C CD   . GLN Axp A    44  ? 168.575 161.987 169.894 1   68.412  ? 78  A 1 .
ATOM 758  O OE1  . GLN Axp A    44  ? 168.328 163.003 169.238 1   71.55   ? 78  A 1 .
ATOM 759  N NE2  . GLN Axp A    44  ? 169.093 162.024 171.108 1   86.972  ? 78  A 1 .
ATOM 760  H H    . GLN Axp A    44  ? 165.459 159.315 170.555 1   42.146  ? 78  A 1 c
ATOM 761  H HA   . GLN Axp A    44  ? 165.513 159.372 167.834 1   45.142  ? 78  A 1 c
ATOM 762  H HB3  . GLN Axp A    44  ? 166.208 161.187 169.399 1   54.454  ? 78  A 1 c
ATOM 763  H HB2  . GLN Axp A    44  ? 166.818 161.117 167.944 1   54.573  ? 78  A 1 c
ATOM 764  H HG3  . GLN Axp A    44  ? 168.825 160.33  168.711 1   61.662  ? 78  A 1 c
ATOM 765  H HG2  . GLN Axp A    44  ? 168.22  159.982 170.138 1   61.71   ? 78  A 1 c
ATOM 766  H HE21 . GLN Axp A    44  ? 168.828 162.645 171.683 1   80.723  ? 78  A 1 c
ATOM 767  H HE22 . GLN Axp A    44  ? 169.704 161.428 171.346 1   80.59   ? 78  A 1 c
ATOM 768  N N    . GLY Axp A    45  ? 167.399 157.958 167.004 1   42.346  ? 79  A 1 .
ATOM 769  C CA   . GLY Axp A    45  ? 168.418 156.998 166.59  1   46.131  ? 79  A 1 .
ATOM 770  C C    . GLY Axp A    45  ? 167.963 155.537 166.7   1   47.584  ? 79  A 1 .
ATOM 771  O O    . GLY Axp A    45  ? 168.783 154.627 166.635 1   46.879  ? 79  A 1 .
ATOM 772  H H    . GLY Axp A    45  ? 166.932 158.408 166.361 1   42.988  ? 79  A 1 c
ATOM 773  H HA3  . GLY Axp A    45  ? 169.222 157.129 167.146 1   45.433  ? 79  A 1 c
ATOM 774  H HA2  . GLY Axp A    45  ? 168.668 157.189 165.656 1   45.494  ? 79  A 1 c
ATOM 775  N N    . LYS Axp A    46  ? 166.652 155.322 166.846 1   47.069  ? 80  A 1 .
ATOM 776  C CA   . LYS Axp A    46  ? 166.087 154.002 167.002 1   45.734  ? 80  A 1 .
ATOM 777  C C    . LYS Axp A    46  ? 164.948 153.814 166.009 1   47.871  ? 80  A 1 .
ATOM 778  O O    . LYS Axp A    46  ? 164.24  154.754 165.637 1   50.609  ? 80  A 1 .
ATOM 779  C CB   . LYS Axp A    46  ? 165.521 153.887 168.414 1   50.502  ? 80  A 1 .
ATOM 780  C CG   . LYS Axp A    46  ? 166.5   154.193 169.528 1   59.802  ? 80  A 1 .
ATOM 781  C CD   . LYS Axp A    46  ? 167.49  153.092 169.896 1   71.248  ? 80  A 1 .
ATOM 782  C CE   . LYS Axp A    46  ? 168.312 153.45  171.097 1   72.854  ? 80  A 1 .
ATOM 783  N NZ   . LYS Axp A    46  ? 169.077 152.292 171.548 1   81.197  ? 80  A 1 .
ATOM 784  H H    . LYS Axp A    46  ? 166.083 156.036 166.837 1   46.815  ? 80  A 1 c
ATOM 785  H HA   . LYS Axp A    46  ? 166.787 153.319 166.845 1   47.205  ? 80  A 1 c
ATOM 786  H HB3  . LYS Axp A    46  ? 165.183 152.976 168.542 1   51.337  ? 80  A 1 c
ATOM 787  H HB2  . LYS Axp A    46  ? 164.76  154.5   168.497 1   51.322  ? 80  A 1 c
ATOM 788  H HG3  . LYS Axp A    46  ? 165.981 154.42  170.33  1   59.874  ? 80  A 1 c
ATOM 789  H HG2  . LYS Axp A    46  ? 167.007 154.995 169.28  1   59.563  ? 80  A 1 c
ATOM 790  H HD3  . LYS Axp A    46  ? 168.089 152.929 169.134 1   68.844  ? 80  A 1 c
ATOM 791  H HD2  . LYS Axp A    46  ? 166.996 152.263 170.079 1   68.891  ? 80  A 1 c
ATOM 792  H HE3  . LYS Axp A    46  ? 167.73  153.75  171.818 1   74.271  ? 80  A 1 c
ATOM 793  H HE2  . LYS Axp A    46  ? 168.925 154.173 170.874 1   74.354  ? 80  A 1 c
ATOM 794  H HZ1  . LYS Axp A    46  ? 169.607 151.994 170.877 1   78.471  ? 80  A 1 c
ATOM 795  H HZ2  . LYS Axp A    46  ? 168.512 151.629 171.798 1   78.451  ? 80  A 1 c
ATOM 796  H HZ3  . LYS Axp A    46  ? 169.594 152.524 172.255 1   78.505  ? 80  A 1 c
ATOM 797  N N    . SER Axp A    47  ? 164.749 152.561 165.609 1   47.062  ? 81  A 1 .
ATOM 798  C CA   . SER Axp A    47  ? 163.773 152.249 164.579 1   44.405  ? 81  A 1 .
ATOM 799  C C    . SER Axp A    47  ? 162.892 151.088 165.023 1   39.785  ? 81  A 1 .
ATOM 800  O O    . SER Axp A    47  ? 163.385 150.137 165.613 1   42.065  ? 81  A 1 .
ATOM 801  C CB   . SER Axp A    47  ? 164.463 151.957 163.27  1   46.089  ? 81  A 1 .
ATOM 802  O OG   . SER Axp A    47  ? 165.553 151.081 163.485 1   47.503  ? 81  A 1 .
ATOM 803  H H    . SER Axp A    47  ? 165.229 151.881 165.986 1   46.625  ? 81  A 1 c
ATOM 804  H HA   . SER Axp A    47  ? 163.196 153.04  164.454 1   44.164  ? 81  A 1 c
ATOM 805  H HB3  . SER Axp A    47  ? 164.785 152.791 162.878 1   46.026  ? 81  A 1 c
ATOM 806  H HB2  . SER Axp A    47  ? 163.83  151.547 162.65  1   45.996  ? 81  A 1 c
ATOM 807  H HG   . SER Axp A    47  ? 165.956 150.807 162.799 0   26.94   ? 81  A 1 c
ATOM 808  N N    . LEU Axp A    48  ? 161.591 151.157 164.718 1   36.766  ? 82  A 1 .
ATOM 809  C CA   . LEU Axp A    48  ? 160.666 150.106 165.121 1   36.726  ? 82  A 1 .
ATOM 810  C C    . LEU Axp A    48  ? 160.091 149.38  163.905 1   32.304  ? 82  A 1 .
ATOM 811  O O    . LEU Axp A    48  ? 159.409 149.956 163.075 1   30.458  ? 82  A 1 .
ATOM 812  C CB   . LEU Axp A    48  ? 159.519 150.601 166     1   36.837  ? 82  A 1 .
ATOM 813  C CG   . LEU Axp A    48  ? 158.408 149.575 166.238 1   37.206  ? 82  A 1 .
ATOM 814  C CD1  . LEU Axp A    48  ? 158.847 148.429 167.151 1   36.069  ? 82  A 1 .
ATOM 815  C CD2  . LEU Axp A    48  ? 157.219 150.314 166.784 1   38.571  ? 82  A 1 .
ATOM 816  H H    . LEU Axp A    48  ? 161.272 151.873 164.246 1   37.551  ? 82  A 1 c
ATOM 817  H HA   . LEU Axp A    48  ? 161.182 149.442 165.643 1   35.876  ? 82  A 1 c
ATOM 818  H HB3  . LEU Axp A    48  ? 159.126 151.399 165.576 1   36.904  ? 82  A 1 c
ATOM 819  H HB2  . LEU Axp A    48  ? 159.89  150.862 166.871 1   36.855  ? 82  A 1 c
ATOM 820  H HG   . LEU Axp A    48  ? 158.146 149.188 165.364 1   37.148  ? 82  A 1 c
ATOM 821  H HD11 . LEU Axp A    48  ? 159.083 147.659 166.61  1   36.36   ? 82  A 1 c
ATOM 822  H HD12 . LEU Axp A    48  ? 158.119 148.191 167.75  1   36.415  ? 82  A 1 c
ATOM 823  H HD13 . LEU Axp A    48  ? 159.618 148.705 167.674 1   36.4    ? 82  A 1 c
ATOM 824  H HD21 . LEU Axp A    48  ? 156.911 150.964 166.13  1   38.147  ? 82  A 1 c
ATOM 825  H HD22 . LEU Axp A    48  ? 157.47  150.774 167.603 1   38.154  ? 82  A 1 c
ATOM 826  H HD23 . LEU Axp A    48  ? 156.504 149.684 166.974 1   38.144  ? 82  A 1 c
ATOM 827  N N    . GLY Axp A    49  ? 160.272 148.065 163.874 1   30.669  ? 83  A 1 .
ATOM 828  C CA   . GLY Axp A    49  ? 159.694 147.238 162.842 1   28.86   ? 83  A 1 .
ATOM 829  C C    . GLY Axp A    49  ? 158.313 146.809 163.274 1   28.929  ? 83  A 1 .
ATOM 830  O O    . GLY Axp A    49  ? 158.182 146.065 164.245 1   27.186  ? 83  A 1 .
ATOM 831  H H    . GLY Axp A    49  ? 160.769 147.665 164.528 1   30.777  ? 83  A 1 c
ATOM 832  H HA3  . GLY Axp A    49  ? 160.263 146.445 162.699 1   29.313  ? 83  A 1 c
ATOM 833  H HA2  . GLY Axp A    49  ? 159.647 147.742 161.996 1   29.38   ? 83  A 1 c
ATOM 834  N N    . MET Axp A    50  ? 157.324 147.329 162.547 1   34.078  ? 84  A 1 .
ATOM 835  C CA   . MET Axp A    50  ? 155.921 147.105 162.862 1   40.19   ? 84  A 1 .
ATOM 836  C C    . MET Axp A    50  ? 155.343 146.117 161.855 1   41.671  ? 84  A 1 .
ATOM 837  O O    . MET Axp A    50  ? 155.186 146.436 160.7   1   42.265  ? 84  A 1 .
ATOM 838  C CB   . MET Axp A    50  ? 155.093 148.394 162.779 1   39.034  ? 84  A 1 .
ATOM 839  C CG   . MET Axp A    50  ? 155.56  149.536 163.673 1   37.936  ? 84  A 1 .
ATOM 840  S SD   . MET Axp A    50  ? 154.444 150.946 163.503 1   35.831  ? 84  A 1 .
ATOM 841  C CE   . MET Axp A    50  ? 154.914 151.342 161.81  1   39.614  ? 84  A 1 .
ATOM 842  H H    . MET Axp A    50  ? 157.529 147.846 161.822 1   33.932  ? 84  A 1 c
ATOM 843  H HA   . MET Axp A    50  ? 155.854 146.726 163.771 1   38.751  ? 84  A 1 c
ATOM 844  H HB3  . MET Axp A    50  ? 154.164 148.178 163.009 1   39.058  ? 84  A 1 c
ATOM 845  H HB2  . MET Axp A    50  ? 155.1   148.703 161.849 1   39.073  ? 84  A 1 c
ATOM 846  H HG3  . MET Axp A    50  ? 156.466 149.806 163.422 1   37.79   ? 84  A 1 c
ATOM 847  H HG2  . MET Axp A    50  ? 155.572 149.244 164.606 1   37.785  ? 84  A 1 c
ATOM 848  H HE3  . MET Axp A    50  ? 154.364 150.826 161.192 1   38.637  ? 84  A 1 c
ATOM 849  H HE2  . MET Axp A    50  ? 155.854 151.122 161.672 1   38.627  ? 84  A 1 c
ATOM 850  H HE1  . MET Axp A    50  ? 154.776 152.293 161.649 1   38.636  ? 84  A 1 c
ATOM 851  N N    . ILE Axp A    51  ? 155.031 144.902 162.277 1   44.65   ? 85  A 1 .
ATOM 852  C CA   . ILE Axp A    51  ? 154.596 143.903 161.329 1   42      ? 85  A 1 .
ATOM 853  C C    . ILE Axp A    51  ? 153.114 143.747 161.535 1   39.711  ? 85  A 1 .
ATOM 854  O O    . ILE Axp A    51  ? 152.697 143.442 162.636 1   48.078  ? 85  A 1 .
ATOM 855  C CB   . ILE Axp A    51  ? 155.295 142.561 161.562 1   49.033  ? 85  A 1 .
ATOM 856  C CG1  . ILE Axp A    51  ? 156.691 142.688 162.146 1   52.893  ? 85  A 1 .
ATOM 857  C CG2  . ILE Axp A    51  ? 155.335 141.818 160.255 1   55.653  ? 85  A 1 .
ATOM 858  C CD1  . ILE Axp A    51  ? 157.648 143.48  161.281 1   53.995  ? 85  A 1 .
ATOM 859  H H    . ILE Axp A    51  ? 155.068 144.695 163.166 1   43.374  ? 85  A 1 c
ATOM 860  H HA   . ILE Axp A    51  ? 154.774 144.21  160.42  1   43.525  ? 85  A 1 c
ATOM 861  H HB   . ILE Axp A    51  ? 154.755 142.04  162.189 1   49.43   ? 85  A 1 c
ATOM 862  H HG12 . ILE Axp A    51  ? 157.058 141.79  162.277 1   52.187  ? 85  A 1 c
ATOM 863  H HG13 . ILE Axp A    51  ? 156.63  143.115 163.025 1   52.01   ? 85  A 1 c
ATOM 864  H HG21 . ILE Axp A    51  ? 155.712 140.936 160.398 1   54.779  ? 85  A 1 c
ATOM 865  H HG22 . ILE Axp A    51  ? 155.888 142.304 159.62  1   53.947  ? 85  A 1 c
ATOM 866  H HG23 . ILE Axp A    51  ? 154.434 141.743 159.9   1   54.679  ? 85  A 1 c
ATOM 867  H HD11 . ILE Axp A    51  ? 158.213 142.864 160.777 1   53.581  ? 85  A 1 c
ATOM 868  H HD12 . ILE Axp A    51  ? 158.209 144.041 161.849 1   53.615  ? 85  A 1 c
ATOM 869  H HD13 . ILE Axp A    51  ? 157.153 144.046 160.658 1   53.484  ? 85  A 1 c
ATOM 870  N N    . PHE Axp A    52  ? 152.338 143.938 160.489 1   41.153  ? 86  A 1 .
ATOM 871  C CA   . PHE Axp A    52  ? 150.902 143.769 160.599 1   51.685  ? 86  A 1 .
ATOM 872  C C    . PHE Axp A    52  ? 150.428 142.597 159.736 1   66.418  ? 86  A 1 .
ATOM 873  O O    . PHE Axp A    52  ? 150.302 142.712 158.507 1   77.42   ? 86  A 1 .
ATOM 874  C CB   . PHE Axp A    52  ? 150.251 145.095 160.211 1   54.591  ? 86  A 1 .
ATOM 875  C CG   . PHE Axp A    52  ? 150.401 146.157 161.28  1   50.864  ? 86  A 1 .
ATOM 876  C CD1  . PHE Axp A    52  ? 149.676 146.061 162.449 1   53.552  ? 86  A 1 .
ATOM 877  C CD2  . PHE Axp A    52  ? 151.246 147.242 161.104 1   51.896  ? 86  A 1 .
ATOM 878  C CE1  . PHE Axp A    52  ? 149.821 147.011 163.438 1   58.869  ? 86  A 1 .
ATOM 879  C CE2  . PHE Axp A    52  ? 151.376 148.203 162.085 1   54.231  ? 86  A 1 .
ATOM 880  C CZ   . PHE Axp A    52  ? 150.67  148.081 163.257 1   58.672  ? 86  A 1 .
ATOM 881  H H    . PHE Axp A    52  ? 152.699 144.18  159.684 1   42.961  ? 86  A 1 c
ATOM 882  H HA   . PHE Axp A    52  ? 150.675 143.575 161.547 1   52.359  ? 86  A 1 c
ATOM 883  H HB3  . PHE Axp A    52  ? 149.294 144.94  160.044 1   53.1    ? 86  A 1 c
ATOM 884  H HB2  . PHE Axp A    52  ? 150.661 145.416 159.377 1   52.974  ? 86  A 1 c
ATOM 885  H HD1  . PHE Axp A    52  ? 149.105 145.322 162.586 1   54.42   ? 86  A 1 c
ATOM 886  H HD2  . PHE Axp A    52  ? 151.741 147.32  160.304 1   52.304  ? 86  A 1 c
ATOM 887  H HE1  . PHE Axp A    52  ? 149.325 146.935 164.238 1   57.43   ? 86  A 1 c
ATOM 888  H HE2  . PHE Axp A    52  ? 151.961 148.933 161.958 1   54.681  ? 86  A 1 c
ATOM 889  H HZ   . PHE Axp A    52  ? 150.751 148.739 163.928 1   57.532  ? 86  A 1 c
ATOM 890  N N    . GLU Axp A    53  ? 150.146 141.464 160.394 1   70.242  ? 87  A 1 .
ATOM 891  C CA   . GLU Axp A    53  ? 149.555 140.335 159.701 1   80.389  ? 87  A 1 .
ATOM 892  C C    . GLU Axp A    53  ? 148.247 140.778 159.049 1   84.229  ? 87  A 1 .
ATOM 893  O O    . GLU Axp A    53  ? 148     140.475 157.881 1   101.314 ? 87  A 1 .
ATOM 894  C CB   . GLU Axp A    53  ? 149.302 139.156 160.634 1   87.527  ? 87  A 1 .
ATOM 895  C CG   . GLU Axp A    53  ? 150.569 138.392 160.995 1   99.187  ? 87  A 1 .
ATOM 896  C CD   . GLU Axp A    53  ? 150.451 136.894 160.782 1   119.476 ? 87  A 1 .
ATOM 897  O OE1  . GLU Axp A    53  ? 150.255 136.522 159.601 1   142.489 ? 87  A 1 .
ATOM 898  O OE2  . GLU Axp A    53  ? 150.557 136.112 161.757 1   124.613 ? 87  A 1 .
ATOM 899  H H    . GLU Axp A    53  ? 150.327 141.395 161.287 1   71.198  ? 87  A 1 c
ATOM 900  H HA   . GLU Axp A    53  ? 150.177 140.05  158.986 1   80.596  ? 87  A 1 c
ATOM 901  H HB3  . GLU Axp A    53  ? 148.673 138.543 160.199 1   88.579  ? 87  A 1 c
ATOM 902  H HB2  . GLU Axp A    53  ? 148.876 139.485 161.451 1   87.812  ? 87  A 1 c
ATOM 903  H HG3  . GLU Axp A    53  ? 150.797 138.565 161.922 1   99.17   ? 87  A 1 c
ATOM 904  H HG2  . GLU Axp A    53  ? 151.3   138.721 160.45  1   100.907 ? 87  A 1 c
ATOM 905  N N    . LYS Axp A    54  ? 147.421 141.502 159.811 1   81.554  ? 88  A 1 .
ATOM 906  C CA   . LYS Axp A    54  ? 146.239 142.129 159.25  1   88.857  ? 88  A 1 .
ATOM 907  C C    . LYS Axp A    54  ? 146.294 143.639 159.484 1   94.787  ? 88  A 1 .
ATOM 908  O O    . LYS Axp A    54  ? 146.658 144.095 160.565 1   92.563  ? 88  A 1 .
ATOM 909  C CB   . LYS Axp A    54  ? 144.958 141.52  159.824 1   92.597  ? 88  A 1 .
ATOM 910  C CG   . LYS Axp A    54  ? 143.706 141.863 159.009 1   96.287  ? 88  A 1 .
ATOM 911  C CD   . LYS Axp A    54  ? 142.401 141.977 159.79  1   91.209  ? 88  A 1 .
ATOM 912  C CE   . LYS Axp A    54  ? 141.803 140.665 160.165 1   89.248  ? 88  A 1 .
ATOM 913  N NZ   . LYS Axp A    54  ? 140.606 140.859 160.983 1   98.45   ? 88  A 1 .
ATOM 914  H H    . LYS Axp A    54  ? 147.595 141.602 160.703 1   83.669  ? 88  A 1 c
ATOM 915  H HA   . LYS Axp A    54  ? 146.237 141.967 158.273 1   89.244  ? 88  A 1 c
ATOM 916  H HB3  . LYS Axp A    54  ? 144.834 141.841 160.742 1   92.561  ? 88  A 1 c
ATOM 917  H HB2  . LYS Axp A    54  ? 145.055 140.544 159.856 1   92.555  ? 88  A 1 c
ATOM 918  H HG3  . LYS Axp A    54  ? 143.595 141.174 158.319 1   94.258  ? 88  A 1 c
ATOM 919  H HG2  . LYS Axp A    54  ? 143.864 142.713 158.545 1   94.249  ? 88  A 1 c
ATOM 920  H HD3  . LYS Axp A    54  ? 141.753 142.477 159.248 1   91.869  ? 88  A 1 c
ATOM 921  H HD2  . LYS Axp A    54  ? 142.567 142.495 160.607 1   91.873  ? 88  A 1 c
ATOM 922  H HE3  . LYS Axp A    54  ? 142.453 140.149 160.674 1   91.923  ? 88  A 1 c
ATOM 923  H HE2  . LYS Axp A    54  ? 141.568 140.164 159.363 1   91.82   ? 88  A 1 c
ATOM 924  H HZ1  . LYS Axp A    54  ? 139.995 141.342 160.521 1   95.495  ? 88  A 1 c
ATOM 925  H HZ2  . LYS Axp A    54  ? 140.824 141.302 161.742 1   95.514  ? 88  A 1 c
ATOM 926  H HZ3  . LYS Axp A    54  ? 140.249 140.055 161.199 1   95.514  ? 88  A 1 c
ATOM 927  N N    . ARG Axp A    55  ? 145.955 144.393 158.427 1   97.772  ? 89  A 1 .
ATOM 928  C CA   . ARG Axp A    55  ? 145.679 145.819 158.489 1   97.446  ? 89  A 1 .
ATOM 929  C C    . ARG Axp A    55  ? 145.066 146.144 159.846 1   89.316  ? 89  A 1 .
ATOM 930  O O    . ARG Axp A    55  ? 143.896 145.841 160.084 1   81.952  ? 89  A 1 .
ATOM 931  C CB   . ARG Axp A    55  ? 144.696 146.126 157.348 1   110.328 ? 89  A 1 .
ATOM 932  C CG   . ARG Axp A    55  ? 144.087 147.518 157.223 1   114.59  ? 89  A 1 .
ATOM 933  C CD   . ARG Axp A    55  ? 142.773 147.488 156.431 1   112.22  ? 89  A 1 .
ATOM 934  N NE   . ARG Axp A    55  ? 142.507 148.76  155.748 1   129.939 ? 89  A 1 .
ATOM 935  C CZ   . ARG Axp A    55  ? 143.145 149.209 154.656 1   146.647 ? 89  A 1 .
ATOM 936  N NH1  . ARG Axp A    55  ? 144.029 148.44  154.051 1   170.152 ? 89  A 1 .
ATOM 937  N NH2  . ARG Axp A    55  ? 142.897 150.408 154.144 1   133.636 ? 89  A 1 .
ATOM 938  H H    . ARG Axp A    55  ? 145.897 143.984 157.612 1   97.016  ? 89  A 1 c
ATOM 939  H HA   . ARG Axp A    55  ? 146.526 146.32  158.37  1   97.967  ? 89  A 1 c
ATOM 940  H HB3  . ARG Axp A    55  ? 143.958 145.484 157.421 1   108.019 ? 89  A 1 c
ATOM 941  H HB2  . ARG Axp A    55  ? 145.159 145.929 156.506 1   108.071 ? 89  A 1 c
ATOM 942  H HG3  . ARG Axp A    55  ? 144.724 148.112 156.769 1   113.449 ? 89  A 1 c
ATOM 943  H HG2  . ARG Axp A    55  ? 143.913 147.883 158.118 1   113.016 ? 89  A 1 c
ATOM 944  H HD3  . ARG Axp A    55  ? 142.035 147.292 157.043 1   116.756 ? 89  A 1 c
ATOM 945  H HD2  . ARG Axp A    55  ? 142.813 146.769 155.768 1   116.862 ? 89  A 1 c
ATOM 946  H HE   . ARG Axp A    55  ? 141.881 149.269 156.076 1   129.341 ? 89  A 1 c
ATOM 947  H HH11 . ARG Axp A    55  ? 144.842 148.357 154.387 1   162.067 ? 89  A 1 c
ATOM 948  H HH12 . ARG Axp A    55  ? 143.804 148.01  153.312 1   162.426 ? 89  A 1 c
ATOM 949  H HH21 . ARG Axp A    55  ? 142.551 151.041 154.655 1   137.489 ? 89  A 1 c
ATOM 950  H HH22 . ARG Axp A    55  ? 143.077 150.569 153.294 1   137.718 ? 89  A 1 c
ATOM 951  N N    . SER Axp A    56  ? 145.856 146.761 160.731 1   85.478  ? 90  A 1 .
ATOM 952  C CA   . SER Axp A    56  ? 145.358 147.076 162.06  1   88.127  ? 90  A 1 .
ATOM 953  C C    . SER Axp A    56  ? 145.396 148.576 162.337 1   72.075  ? 90  A 1 .
ATOM 954  O O    . SER Axp A    56  ? 145.47  148.988 163.482 1   68.687  ? 90  A 1 .
ATOM 955  C CB   . SER Axp A    56  ? 146.085 146.259 163.111 1   97.595  ? 90  A 1 .
ATOM 956  O OG   . SER Axp A    56  ? 145.554 144.938 163.132 1   92.027  ? 90  A 1 .
ATOM 957  H H    . SER Axp A    56  ? 146.713 146.988 160.507 1   87.127  ? 90  A 1 c
ATOM 958  H HA   . SER Axp A    56  ? 144.406 146.805 162.09  1   86.04   ? 90  A 1 c
ATOM 959  H HB3  . SER Axp A    56  ? 145.972 146.671 163.988 1   93.61   ? 90  A 1 c
ATOM 960  H HB2  . SER Axp A    56  ? 147.035 146.229 162.901 1   93.338  ? 90  A 1 c
ATOM 961  H HG   . SER Axp A    56  ? 146.009 144.545 163.513 0   63.8    ? 90  A 1 c
ATOM 962  N N    . THR Axp A    57  ? 145.256 149.366 161.269 1   75.155  ? 91  A 1 .
ATOM 963  C CA   . THR Axp A    57  ? 145.211 150.826 161.268 1   75.641  ? 91  A 1 .
ATOM 964  C C    . THR Axp A    57  ? 145.381 151.481 162.659 1   72.865  ? 91  A 1 .
ATOM 965  O O    . THR Axp A    57  ? 146.471 151.95  163.023 1   70.211  ? 91  A 1 .
ATOM 966  C CB   . THR Axp A    57  ? 143.916 151.179 160.525 1   70.838  ? 91  A 1 .
ATOM 967  O OG1  . THR Axp A    57  ? 143.745 152.553 160.837 1   63.968  ? 91  A 1 .
ATOM 968  C CG2  . THR Axp A    57  ? 142.709 150.327 160.901 1   66.91   ? 91  A 1 .
ATOM 969  H H    . THR Axp A    57  ? 145.177 148.953 160.458 1   74.692  ? 91  A 1 c
ATOM 970  H HA   . THR Axp A    57  ? 145.958 151.134 160.71  1   74.126  ? 91  A 1 c
ATOM 971  H HB   . THR Axp A    57  ? 144.07  151.081 159.556 1   69.545  ? 91  A 1 c
ATOM 972  H HG1  . THR Axp A    57  ? 143.985 153.01  161.596 0   60.07   ? 91  A 1 c
ATOM 973  H HG21 . THR Axp A    57  ? 141.948 150.904 161.08  1   68.038  ? 91  A 1 c
ATOM 974  H HG22 . THR Axp A    57  ? 142.908 149.802 161.694 1   68.125  ? 91  A 1 c
ATOM 975  H HG23 . THR Axp A    57  ? 142.493 149.729 160.166 1   68.058  ? 91  A 1 c
ATOM 976  N N    . ARG Axp A    58  ? 144.306 151.555 163.448 1   65.467  ? 92  A 1 .
ATOM 977  C CA   . ARG Axp A    58  ? 144.355 152.236 164.731 1   61.244  ? 92  A 1 .
ATOM 978  C C    . ARG Axp A    58  ? 145.67  151.987 165.48  1   58.451  ? 92  A 1 .
ATOM 979  O O    . ARG Axp A    58  ? 146.365 152.941 165.826 1   58.968  ? 92  A 1 .
ATOM 980  C CB   . ARG Axp A    58  ? 143.174 151.773 165.588 1   69.502  ? 92  A 1 .
ATOM 981  C CG   . ARG Axp A    58  ? 141.899 152.577 165.4   1   76.589  ? 92  A 1 .
ATOM 982  C CD   . ARG Axp A    58  ? 141.07  152.74  166.679 1   78.587  ? 92  A 1 .
ATOM 983  N NE   . ARG Axp A    58  ? 139.773 153.378 166.417 1   83.367  ? 92  A 1 .
ATOM 984  C CZ   . ARG Axp A    58  ? 138.805 152.845 165.66  1   89.745  ? 92  A 1 .
ATOM 985  N NH1  . ARG Axp A    58  ? 139.014 151.664 165.097 1   95.038  ? 92  A 1 .
ATOM 986  N NH2  . ARG Axp A    58  ? 137.644 153.472 165.474 1   83.771  ? 92  A 1 .
ATOM 987  H H    . ARG Axp A    58  ? 143.521 151.171 163.184 1   66.306  ? 92  A 1 c
ATOM 988  H HA   . ARG Axp A    58  ? 144.27  153.209 164.567 1   63.076  ? 92  A 1 c
ATOM 989  H HB3  . ARG Axp A    58  ? 143.436 151.819 166.532 1   69.029  ? 92  A 1 c
ATOM 990  H HB2  . ARG Axp A    58  ? 142.985 150.833 165.38  1   69.01   ? 92  A 1 c
ATOM 991  H HG3  . ARG Axp A    58  ? 141.349 152.139 164.716 1   75.477  ? 92  A 1 c
ATOM 992  H HG2  . ARG Axp A    58  ? 142.13  153.469 165.061 1   75.191  ? 92  A 1 c
ATOM 993  H HD3  . ARG Axp A    58  ? 141.572 153.283 167.32  1   79.251  ? 92  A 1 c
ATOM 994  H HD2  . ARG Axp A    58  ? 140.921 151.86  167.081 1   79.32   ? 92  A 1 c
ATOM 995  H HE   . ARG Axp A    58  ? 139.618 154.152 166.784 1   83.69   ? 92  A 1 c
ATOM 996  H HH11 . ARG Axp A    58  ? 139.35  150.999 165.572 1   93.08   ? 92  A 1 c
ATOM 997  H HH12 . ARG Axp A    58  ? 138.816 151.546 164.243 1   93.307  ? 92  A 1 c
ATOM 998  H HH21 . ARG Axp A    58  ? 137.19  153.77  166.171 1   85.566  ? 92  A 1 c
ATOM 999  H HH22 . ARG Axp A    58  ? 137.334 153.585 164.654 1   85.566  ? 92  A 1 c
ATOM 1000 N N    . THR Axp A    59  ? 145.972 150.708 165.776 1   56.917  ? 93  A 1 .
ATOM 1001 C CA   . THR Axp A    59  ? 147.162 150.307 166.518 1   56.773  ? 93  A 1 .
ATOM 1002 C C    . THR Axp A    59  ? 148.371 151.029 165.945 1   57.763  ? 93  A 1 .
ATOM 1003 O O    . THR Axp A    59  ? 149.183 151.59  166.671 1   62.998  ? 93  A 1 .
ATOM 1004 C CB   . THR Axp A    59  ? 147.408 148.801 166.396 1   64.318  ? 93  A 1 .
ATOM 1005 O OG1  . THR Axp A    59  ? 146.359 148.004 166.932 1   77.264  ? 93  A 1 .
ATOM 1006 C CG2  . THR Axp A    59  ? 148.669 148.367 167.115 1   65.733  ? 93  A 1 .
ATOM 1007 H H    . THR Axp A    59  ? 145.401 150.052 165.495 1   57.377  ? 93  A 1 c
ATOM 1008 H HA   . THR Axp A    59  ? 147.051 150.546 167.464 1   58.29   ? 93  A 1 c
ATOM 1009 H HB   . THR Axp A    59  ? 147.514 148.578 165.44  1   65.28   ? 93  A 1 c
ATOM 1010 H HG1  . THR Axp A    59  ? 146.03  148.48  167.736 0   50.53   ? 93  A 1 c
ATOM 1011 H HG21 . THR Axp A    59  ? 148.574 147.447 167.414 1   65.366  ? 93  A 1 c
ATOM 1012 H HG22 . THR Axp A    59  ? 148.82  148.942 167.884 1   65.262  ? 93  A 1 c
ATOM 1013 H HG23 . THR Axp A    59  ? 149.427 148.432 166.509 1   65.277  ? 93  A 1 c
ATOM 1014 N N    . ARG Axp A    60  ? 148.518 150.935 164.625 1   56.81   ? 94  A 1 .
ATOM 1015 C CA   . ARG Axp A    60  ? 149.65  151.54  163.952 1   55.613  ? 94  A 1 .
ATOM 1016 C C    . ARG Axp A    60  ? 149.673 153.028 164.253 1   51.812  ? 94  A 1 .
ATOM 1017 O O    . ARG Axp A    60  ? 150.601 153.522 164.888 1   50.506  ? 94  A 1 .
ATOM 1018 C CB   . ARG Axp A    60  ? 149.554 151.355 162.438 1   56.816  ? 94  A 1 .
ATOM 1019 C CG   . ARG Axp A    60  ? 150.221 152.477 161.666 1   58.174  ? 94  A 1 .
ATOM 1020 C CD   . ARG Axp A    60  ? 150.326 152.056 160.247 1   62.824  ? 94  A 1 .
ATOM 1021 N NE   . ARG Axp A    60  ? 150.453 153.238 159.392 1   65.929  ? 94  A 1 .
ATOM 1022 C CZ   . ARG Axp A    60  ? 149.521 153.674 158.563 1   66.651  ? 94  A 1 .
ATOM 1023 N NH1  . ARG Axp A    60  ? 148.328 153.094 158.497 1   66.266  ? 94  A 1 .
ATOM 1024 N NH2  . ARG Axp A    60  ? 149.805 154.707 157.805 1   70.888  ? 94  A 1 .
ATOM 1025 H H    . ARG Axp A    60  ? 147.9   150.479 164.13  1   56.862  ? 94  A 1 c
ATOM 1026 H HA   . ARG Axp A    60  ? 150.482 151.124 164.292 1   55.338  ? 94  A 1 c
ATOM 1027 H HB3  . ARG Axp A    60  ? 148.611 151.306 162.176 1   56.928  ? 94  A 1 c
ATOM 1028 H HB2  . ARG Axp A    60  ? 149.977 150.506 162.193 1   56.89   ? 94  A 1 c
ATOM 1029 H HG3  . ARG Axp A    60  ? 151.12  152.646 162.025 1   58.855  ? 94  A 1 c
ATOM 1030 H HG2  . ARG Axp A    60  ? 149.684 153.296 161.721 1   58.806  ? 94  A 1 c
ATOM 1031 H HD3  . ARG Axp A    60  ? 149.535 151.542 159.986 1   62.403  ? 94  A 1 c
ATOM 1032 H HD2  . ARG Axp A    60  ? 151.114 151.487 160.135 1   62.432  ? 94  A 1 c
ATOM 1033 H HE   . ARG Axp A    60  ? 151.197 153.689 159.432 1   65.435  ? 94  A 1 c
ATOM 1034 H HH11 . ARG Axp A    60  ? 148.242 152.313 158.093 1   66.384  ? 94  A 1 c
ATOM 1035 H HH12 . ARG Axp A    60  ? 147.626 153.493 158.857 1   66.384  ? 94  A 1 c
ATOM 1036 H HH21 . ARG Axp A    60  ? 150.147 155.437 158.167 1   69.523  ? 94  A 1 c
ATOM 1037 H HH22 . ARG Axp A    60  ? 149.652 154.668 156.935 1   69.548  ? 94  A 1 c
ATOM 1038 N N    . LEU Axp A    61  ? 148.633 153.713 163.777 1   51.777  ? 95  A 1 .
ATOM 1039 C CA   . LEU Axp A    61  ? 148.542 155.151 163.913 1   49.545  ? 95  A 1 .
ATOM 1040 C C    . LEU Axp A    61  ? 149.144 155.536 165.261 1   43.308  ? 95  A 1 .
ATOM 1041 O O    . LEU Axp A    61  ? 150.139 156.256 165.285 1   38.984  ? 95  A 1 .
ATOM 1042 C CB   . LEU Axp A    61  ? 147.077 155.555 163.766 1   56.206  ? 95  A 1 .
ATOM 1043 C CG   . LEU Axp A    61  ? 146.73  157.007 164.117 1   63.178  ? 95  A 1 .
ATOM 1044 C CD1  . LEU Axp A    61  ? 147.502 157.963 163.237 1   69.007  ? 95  A 1 .
ATOM 1045 C CD2  . LEU Axp A    61  ? 145.242 157.305 164     1   64.261  ? 95  A 1 .
ATOM 1046 H H    . LEU Axp A    61  ? 147.953 153.267 163.36  1   51.485  ? 95  A 1 c
ATOM 1047 H HA   . LEU Axp A    61  ? 149.074 155.57  163.19  1   49.886  ? 95  A 1 c
ATOM 1048 H HB3  . LEU Axp A    61  ? 146.536 154.963 164.337 1   55.984  ? 95  A 1 c
ATOM 1049 H HB2  . LEU Axp A    61  ? 146.806 155.39  162.834 1   56.058  ? 95  A 1 c
ATOM 1050 H HG   . LEU Axp A    61  ? 147     157.17  165.056 1   62.94   ? 95  A 1 c
ATOM 1051 H HD11 . LEU Axp A    61  ? 148.436 157.97  163.506 1   67.097  ? 95  A 1 c
ATOM 1052 H HD12 . LEU Axp A    61  ? 147.134 158.858 163.327 1   67.142  ? 95  A 1 c
ATOM 1053 H HD13 . LEU Axp A    61  ? 147.436 157.677 162.31  1   67.12   ? 95  A 1 c
ATOM 1054 H HD21 . LEU Axp A    61  ? 144.742 156.693 164.566 1   63.943  ? 95  A 1 c
ATOM 1055 H HD22 . LEU Axp A    61  ? 144.96  157.194 163.077 1   63.944  ? 95  A 1 c
ATOM 1056 H HD23 . LEU Axp A    61  ? 145.07  158.219 164.282 1   63.959  ? 95  A 1 c
ATOM 1057 N N    . SER Axp A    62  ? 148.582 154.965 166.343 1   41.411  ? 96  A 1 .
ATOM 1058 C CA   . SER Axp A    62  ? 149.03  155.169 167.72  1   39.778  ? 96  A 1 .
ATOM 1059 C C    . SER Axp A    62  ? 150.526 154.898 167.88  1   33.776  ? 96  A 1 .
ATOM 1060 O O    . SER Axp A    62  ? 151.297 155.779 168.257 1   26.555  ? 96  A 1 .
ATOM 1061 C CB   . SER Axp A    62  ? 148.229 154.297 168.688 1   41.913  ? 96  A 1 .
ATOM 1062 O OG   . SER Axp A    62  ? 148.697 152.954 168.761 1   40.608  ? 96  A 1 .
ATOM 1063 H H    . SER Axp A    62  ? 147.869 154.409 166.207 1   41.745  ? 96  A 1 c
ATOM 1064 H HA   . SER Axp A    62  ? 148.869 156.116 167.953 1   39.181  ? 96  A 1 c
ATOM 1065 H HB3  . SER Axp A    62  ? 147.293 154.293 168.41  1   41.117  ? 96  A 1 c
ATOM 1066 H HB2  . SER Axp A    62  ? 148.27  154.696 169.577 1   41.113  ? 96  A 1 c
ATOM 1067 H HG   . SER Axp A    62  ? 148.165 152.585 169.091 0   30.76   ? 96  A 1 c
ATOM 1068 N N    . THR Axp A    63  ? 150.905 153.648 167.595 1   33.677  ? 97  A 1 .
ATOM 1069 C CA   . THR Axp A    63  ? 152.294 153.225 167.618 1   33.004  ? 97  A 1 .
ATOM 1070 C C    . THR Axp A    63  ? 153.144 154.226 166.836 1   33.779  ? 97  A 1 .
ATOM 1071 O O    . THR Axp A    63  ? 153.967 154.923 167.42  1   33.154  ? 97  A 1 .
ATOM 1072 C CB   . THR Axp A    63  ? 152.433 151.826 167.019 1   32.399  ? 97  A 1 .
ATOM 1073 O OG1  . THR Axp A    63  ? 151.592 150.939 167.74  1   30.876  ? 97  A 1 .
ATOM 1074 C CG2  . THR Axp A    63  ? 153.862 151.322 167.097 1   31.348  ? 97  A 1 .
ATOM 1075 H H    . THR Axp A    63  ? 150.267 153.033 167.373 1   33.622  ? 97  A 1 c
ATOM 1076 H HA   . THR Axp A    63  ? 152.6   153.204 168.551 1   33.153  ? 97  A 1 c
ATOM 1077 H HB   . THR Axp A    63  ? 152.152 151.833 166.074 1   32.117  ? 97  A 1 c
ATOM 1078 H HG1  . THR Axp A    63  ? 151.817 150.97  168.541 0   24.99   ? 97  A 1 c
ATOM 1079 H HG21 . THR Axp A    63  ? 153.87  150.355 167.001 1   31.661  ? 97  A 1 c
ATOM 1080 H HG22 . THR Axp A    63  ? 154.245 151.565 167.956 1   31.678  ? 97  A 1 c
ATOM 1081 H HG23 . THR Axp A    63  ? 154.387 151.722 166.384 1   31.685  ? 97  A 1 c
ATOM 1082 N N    . GLU Axp A    64  ? 152.936 154.263 165.512 1   34.607  ? 98  A 1 .
ATOM 1083 C CA   . GLU Axp A    64  ? 153.715 155.088 164.611 1   34.038  ? 98  A 1 .
ATOM 1084 C C    . GLU Axp A    64  ? 153.859 156.462 165.244 1   30.494  ? 98  A 1 .
ATOM 1085 O O    . GLU Axp A    64  ? 154.948 156.843 165.664 1   27.32   ? 98  A 1 .
ATOM 1086 C CB   . GLU Axp A    64  ? 153.034 155.116 163.247 1   39.988  ? 98  A 1 .
ATOM 1087 C CG   . GLU Axp A    64  ? 153.736 156.026 162.241 1   48.096  ? 98  A 1 .
ATOM 1088 C CD   . GLU Axp A    64  ? 153.14  156.051 160.836 1   55.583  ? 98  A 1 .
ATOM 1089 O OE1  . GLU Axp A    64  ? 152.389 155.094 160.552 1   59.933  ? 98  A 1 .
ATOM 1090 O OE2  . GLU Axp A    64  ? 153.367 157.003 160.043 1   56.422  ? 98  A 1 .
ATOM 1091 H H    . GLU Axp A    64  ? 152.262 153.758 165.159 1   34.351  ? 98  A 1 c
ATOM 1092 H HA   . GLU Axp A    64  ? 154.614 154.684 164.516 1   34.416  ? 98  A 1 c
ATOM 1093 H HB3  . GLU Axp A    64  ? 152.108 155.416 163.36  1   40.149  ? 98  A 1 c
ATOM 1094 H HB2  . GLU Axp A    64  ? 153.011 154.203 162.891 1   40.272  ? 98  A 1 c
ATOM 1095 H HG3  . GLU Axp A    64  ? 154.671 155.748 162.168 1   47.56   ? 98  A 1 c
ATOM 1096 H HG2  . GLU Axp A    64  ? 153.733 156.942 162.589 1   47.537  ? 98  A 1 c
ATOM 1097 N N    . THR Axp A    65  ? 152.739 157.169 165.39  1   31.172  ? 99  A 1 .
ATOM 1098 C CA   . THR Axp A    65  ? 152.8   158.516 165.942 1   34.977  ? 99  A 1 .
ATOM 1099 C C    . THR Axp A    65  ? 153.619 158.504 167.235 1   32.56   ? 99  A 1 .
ATOM 1100 O O    . THR Axp A    65  ? 154.462 159.372 167.44  1   32.939  ? 99  A 1 .
ATOM 1101 C CB   . THR Axp A    65  ? 151.42  159.162 166.146 1   36.92   ? 99  A 1 .
ATOM 1102 O OG1  . THR Axp A    65  ? 150.627 158.347 167.002 1   38.116  ? 99  A 1 .
ATOM 1103 C CG2  . THR Axp A    65  ? 150.672 159.398 164.843 1   38.243  ? 99  A 1 .
ATOM 1104 H H    . THR Axp A    65  ? 151.93  156.812 165.158 1   32.035  ? 99  A 1 c
ATOM 1105 H HA   . THR Axp A    65  ? 153.285 159.07  165.292 1   34.085  ? 99  A 1 c
ATOM 1106 H HB   . THR Axp A    65  ? 151.554 160.04  166.575 1   37.114  ? 99  A 1 c
ATOM 1107 H HG1  . THR Axp A    65  ? 150.543 157.554 166.546 0   23.41   ? 99  A 1 c
ATOM 1108 H HG21 . THR Axp A    65  ? 149.719 159.465 165.023 1   37.831  ? 99  A 1 c
ATOM 1109 H HG22 . THR Axp A    65  ? 150.833 158.657 164.235 1   37.77   ? 99  A 1 c
ATOM 1110 H HG23 . THR Axp A    65  ? 150.983 160.223 164.435 1   37.829  ? 99  A 1 c
ATOM 1111 N N    . GLY Axp A    66  ? 153.374 157.524 168.107 1   30.35   ? 100 A 1 .
ATOM 1112 C CA   . GLY Axp A    66  ? 154.032 157.522 169.404 1   28.172  ? 100 A 1 .
ATOM 1113 C C    . GLY Axp A    66  ? 155.544 157.393 169.24  1   27.461  ? 100 A 1 .
ATOM 1114 O O    . GLY Axp A    66  ? 156.328 158.221 169.684 1   24.326  ? 100 A 1 .
ATOM 1115 H H    . GLY Axp A    66  ? 152.784 156.856 167.902 1   30.403  ? 100 A 1 c
ATOM 1116 H HA3  . GLY Axp A    66  ? 153.69  156.77  169.941 1   28.518  ? 100 A 1 c
ATOM 1117 H HA2  . GLY Axp A    66  ? 153.819 158.36  169.878 1   28.534  ? 100 A 1 c
ATOM 1118 N N    . PHE Axp A    67  ? 155.943 156.325 168.562 1   30.414  ? 101 A 1 .
ATOM 1119 C CA   . PHE Axp A    67  ? 157.344 156.016 168.376 1   30.878  ? 101 A 1 .
ATOM 1120 C C    . PHE Axp A    67  ? 158.044 157.218 167.763 1   32.734  ? 101 A 1 .
ATOM 1121 O O    . PHE Axp A    67  ? 159.206 157.468 168.047 1   35.164  ? 101 A 1 .
ATOM 1122 C CB   . PHE Axp A    67  ? 157.46  154.787 167.48  1   29.47   ? 101 A 1 .
ATOM 1123 C CG   . PHE Axp A    67  ? 158.834 154.158 167.565 1   31.08   ? 101 A 1 .
ATOM 1124 C CD1  . PHE Axp A    67  ? 159.105 153.208 168.542 1   30.772  ? 101 A 1 .
ATOM 1125 C CD2  . PHE Axp A    67  ? 159.846 154.527 166.685 1   35.43   ? 101 A 1 .
ATOM 1126 C CE1  . PHE Axp A    67  ? 160.343 152.606 168.628 1   31.544  ? 101 A 1 .
ATOM 1127 C CE2  . PHE Axp A    67  ? 161.1   153.927 166.773 1   37.419  ? 101 A 1 .
ATOM 1128 C CZ   . PHE Axp A    67  ? 161.342 152.966 167.742 1   35.602  ? 101 A 1 .
ATOM 1129 H H    . PHE Axp A    67  ? 155.317 155.765 168.201 1   29.778  ? 101 A 1 c
ATOM 1130 H HA   . PHE Axp A    67  ? 157.752 155.815 169.26  1   30.855  ? 101 A 1 c
ATOM 1131 H HB3  . PHE Axp A    67  ? 157.281 155.052 166.55  1   30.161  ? 101 A 1 c
ATOM 1132 H HB2  . PHE Axp A    67  ? 156.785 154.127 167.754 1   30.15   ? 101 A 1 c
ATOM 1133 H HD1  . PHE Axp A    67  ? 158.421 152.952 169.138 1   31.082  ? 101 A 1 c
ATOM 1134 H HD2  . PHE Axp A    67  ? 159.676 155.171 166.016 1   34.718  ? 101 A 1 c
ATOM 1135 H HE1  . PHE Axp A    67  ? 160.51  151.958 169.294 1   32.297  ? 101 A 1 c
ATOM 1136 H HE2  . PHE Axp A    67  ? 161.781 154.169 166.171 1   36.343  ? 101 A 1 c
ATOM 1137 H HZ   . PHE Axp A    67  ? 162.196 152.568 167.807 1   34.954  ? 101 A 1 c
ATOM 1138 N N    . ALA Axp A    68  ? 157.324 157.936 166.906 1   33.167  ? 102 A 1 .
ATOM 1139 C CA   . ALA Axp A    68  ? 157.883 159.09  166.234 1   34.901  ? 102 A 1 .
ATOM 1140 C C    . ALA Axp A    68  ? 158.061 160.241 167.215 1   35.104  ? 102 A 1 .
ATOM 1141 O O    . ALA Axp A    68  ? 159.108 160.874 167.247 1   39.693  ? 102 A 1 .
ATOM 1142 C CB   . ALA Axp A    68  ? 156.993 159.488 165.085 1   35.058  ? 102 A 1 .
ATOM 1143 H H    . ALA Axp A    68  ? 156.465 157.69  166.716 1   33.377  ? 102 A 1 c
ATOM 1144 H HA   . ALA Axp A    68  ? 158.778 158.842 165.879 1   34.589  ? 102 A 1 c
ATOM 1145 H HB3  . ALA Axp A    68  ? 157.449 160.143 164.53  1   35.009  ? 102 A 1 c
ATOM 1146 H HB2  . ALA Axp A    68  ? 156.17  159.875 165.427 1   35      ? 102 A 1 c
ATOM 1147 H HB1  . ALA Axp A    68  ? 156.781 158.705 164.549 1   35.009  ? 102 A 1 c
ATOM 1148 N N    . LEU Axp A    69  ? 157.021 160.524 167.989 1   33.794  ? 103 A 1 .
ATOM 1149 C CA   . LEU Axp A    69  ? 157.028 161.668 168.879 1   32.974  ? 103 A 1 .
ATOM 1150 C C    . LEU Axp A    69  ? 158.215 161.58  169.846 1   33.59   ? 103 A 1 .
ATOM 1151 O O    . LEU Axp A    69  ? 158.772 162.595 170.253 1   35.103  ? 103 A 1 .
ATOM 1152 C CB   . LEU Axp A    69  ? 155.672 161.594 169.572 1   35.137  ? 103 A 1 .
ATOM 1153 C CG   . LEU Axp A    69  ? 155.266 162.736 170.509 1   37.098  ? 103 A 1 .
ATOM 1154 C CD1  . LEU Axp A    69  ? 154.426 162.101 171.647 1   34.796  ? 103 A 1 .
ATOM 1155 C CD2  . LEU Axp A    69  ? 156.416 163.628 171.065 1   41.484  ? 103 A 1 .
ATOM 1156 H H    . LEU Axp A    69  ? 156.282 159.988 167.961 1   33.941  ? 103 A 1 c
ATOM 1157 H HA   . LEU Axp A    69  ? 157.09  162.498 168.342 1   33.629  ? 103 A 1 c
ATOM 1158 H HB3  . LEU Axp A    69  ? 155.643 160.753 170.084 1   34.979  ? 103 A 1 c
ATOM 1159 H HB2  . LEU Axp A    69  ? 154.981 161.518 168.875 1   35.018  ? 103 A 1 c
ATOM 1160 H HG   . LEU Axp A    69  ? 154.659 163.334 170.001 1   37.045  ? 103 A 1 c
ATOM 1161 H HD11 . LEU Axp A    69  ? 153.776 161.486 171.268 1   35.458  ? 103 A 1 c
ATOM 1162 H HD12 . LEU Axp A    69  ? 153.961 162.8   172.136 1   35.513  ? 103 A 1 c
ATOM 1163 H HD13 . LEU Axp A    69  ? 155.013 161.618 172.253 1   35.463  ? 103 A 1 c
ATOM 1164 H HD21 . LEU Axp A    69  ? 156.934 163.992 170.328 1   40.047  ? 103 A 1 c
ATOM 1165 H HD22 . LEU Axp A    69  ? 156.991 163.099 171.642 1   40.115  ? 103 A 1 c
ATOM 1166 H HD23 . LEU Axp A    69  ? 156.036 164.36  171.578 1   40.132  ? 103 A 1 c
ATOM 1167 N N    . LEU Axp A    70  ? 158.659 160.369 170.201 1   33.466  ? 104 A 1 .
ATOM 1168 C CA   . LEU Axp A    70  ? 159.865 160.248 171.015 1   33.905  ? 104 A 1 .
ATOM 1169 C C    . LEU Axp A    70  ? 161.127 160.319 170.152 1   34.736  ? 104 A 1 .
ATOM 1170 O O    . LEU Axp A    70  ? 162.202 159.959 170.629 1   32.999  ? 104 A 1 .
ATOM 1171 C CB   . LEU Axp A    70  ? 159.835 158.94  171.805 1   34.6    ? 104 A 1 .
ATOM 1172 C CG   . LEU Axp A    70  ? 159.046 158.935 173.118 1   33.248  ? 104 A 1 .
ATOM 1173 C CD1  . LEU Axp A    70  ? 158.073 160.048 173.294 1   33.164  ? 104 A 1 .
ATOM 1174 C CD2  . LEU Axp A    70  ? 158.292 157.627 173.22  1   33.469  ? 104 A 1 .
ATOM 1175 H H    . LEU Axp A    70  ? 158.206 159.616 169.951 1   33.61   ? 104 A 1 c
ATOM 1176 H HA   . LEU Axp A    70  ? 159.885 161.003 171.649 1   34.233  ? 104 A 1 c
ATOM 1177 H HB3  . LEU Axp A    70  ? 160.762 158.682 172.01  1   34.256  ? 104 A 1 c
ATOM 1178 H HB2  . LEU Axp A    70  ? 159.467 158.24  171.218 1   34.203  ? 104 A 1 c
ATOM 1179 H HG   . LEU Axp A    70  ? 159.694 158.974 173.867 1   33.517  ? 104 A 1 c
ATOM 1180 H HD11 . LEU Axp A    70  ? 158.552 160.887 173.399 1   33.203  ? 104 A 1 c
ATOM 1181 H HD12 . LEU Axp A    70  ? 157.534 159.886 174.086 1   33.196  ? 104 A 1 c
ATOM 1182 H HD13 . LEU Axp A    70  ? 157.493 160.101 172.516 1   33.198  ? 104 A 1 c
ATOM 1183 H HD21 . LEU Axp A    70  ? 158.916 156.886 173.151 1   33.495  ? 104 A 1 c
ATOM 1184 H HD22 . LEU Axp A    70  ? 157.642 157.57  172.501 1   33.359  ? 104 A 1 c
ATOM 1185 H HD23 . LEU Axp A    70  ? 157.835 157.584 174.075 1   33.369  ? 104 A 1 c
ATOM 1186 N N    . GLY Axp A    71  ? 160.99  160.749 168.886 1   35.514  ? 105 A 1 .
ATOM 1187 C CA   . GLY Axp A    71  ? 162.09  160.905 167.944 1   32.709  ? 105 A 1 .
ATOM 1188 C C    . GLY Axp A    71  ? 162.541 159.582 167.328 1   30.661  ? 105 A 1 .
ATOM 1189 O O    . GLY Axp A    71  ? 163.62  159.476 166.769 1   30.656  ? 105 A 1 .
ATOM 1190 H H    . GLY Axp A    71  ? 160.153 160.964 168.592 1   34.651  ? 105 A 1 c
ATOM 1191 H HA3  . GLY Axp A    71  ? 162.852 161.322 168.411 1   32.889  ? 105 A 1 c
ATOM 1192 H HA2  . GLY Axp A    71  ? 161.808 161.518 167.225 1   32.881  ? 105 A 1 c
ATOM 1193 N N    . GLY Axp A    72  ? 161.732 158.54  167.423 1   30.509  ? 106 A 1 .
ATOM 1194 C CA   . GLY Axp A    72  ? 162.121 157.281 166.811 1   31.557  ? 106 A 1 .
ATOM 1195 C C    . GLY Axp A    72  ? 161.666 157.229 165.364 1   29.823  ? 106 A 1 .
ATOM 1196 O O    . GLY Axp A    72  ? 160.911 158.089 164.938 1   30.596  ? 106 A 1 .
ATOM 1197 H H    . GLY Axp A    72  ? 160.931 158.602 167.859 1   30.843  ? 106 A 1 c
ATOM 1198 H HA3  . GLY Axp A    72  ? 161.713 156.539 167.313 1   31.06   ? 106 A 1 c
ATOM 1199 H HA2  . GLY Axp A    72  ? 163.097 157.178 166.853 1   31.03   ? 106 A 1 c
ATOM 1200 N N    . HIS Axp A    73  ? 162.103 156.216 164.622 1   28.371  ? 107 A 1 .
ATOM 1201 C CA   . HIS Axp A    73  ? 161.568 156.057 163.288 1   30.846  ? 107 A 1 .
ATOM 1202 C C    . HIS Axp A    73  ? 160.803 154.756 163.155 1   30.723  ? 107 A 1 .
ATOM 1203 O O    . HIS Axp A    73  ? 161.4   153.697 163.126 1   30.02   ? 107 A 1 .
ATOM 1204 C CB   . HIS Axp A    73  ? 162.65  156.065 162.21  1   35.652  ? 107 A 1 .
ATOM 1205 C CG   . HIS Axp A    73  ? 162.081 155.862 160.839 1   35.917  ? 107 A 1 .
ATOM 1206 N ND1  . HIS Axp A    73  ? 161.458 156.885 160.156 1   38.61   ? 107 A 1 .
ATOM 1207 C CD2  . HIS Axp A    73  ? 161.997 154.769 160.059 1   34.843  ? 107 A 1 .
ATOM 1208 C CE1  . HIS Axp A    73  ? 161.018 156.415 158.996 1   39.596  ? 107 A 1 .
ATOM 1209 N NE2  . HIS Axp A    73  ? 161.348 155.132 158.915 1   36.225  ? 107 A 1 .
ATOM 1210 H H    . HIS Axp A    73  ? 162.741 155.639 164.932 1   29.33   ? 107 A 1 c
ATOM 1211 H HA   . HIS Axp A    73  ? 160.953 156.804 163.102 1   31.251  ? 107 A 1 c
ATOM 1212 H HB3  . HIS Axp A    73  ? 163.296 155.351 162.401 1   34.535  ? 107 A 1 c
ATOM 1213 H HB2  . HIS Axp A    73  ? 163.121 156.926 162.239 1   34.556  ? 107 A 1 c
ATOM 1214 H HD1  . HIS Axp A    73  ? 161.34  157.673 160.547 0   34.48   ? 107 A 1 c
ATOM 1215 H HD2  . HIS Axp A    73  ? 162.329 153.914 160.254 1   35.441  ? 107 A 1 c
ATOM 1216 H HE1  . HIS Axp A    73  ? 160.573 156.915 158.333 1   38.517  ? 107 A 1 c
ATOM 1217 H HE2  . HIS Axp A    73  ? 161.29  154.584 158.319 0   34.55   ? 107 A 1 c
ATOM 1218 N N    . PRO Axp A    74  ? 159.466 154.8   163.053 1   34.374  ? 108 A 1 .
ATOM 1219 C CA   . PRO Axp A    74  ? 158.664 153.613 162.82  1   36.403  ? 108 A 1 .
ATOM 1220 C C    . PRO Axp A    74  ? 158.739 153.159 161.38  1   36.618  ? 108 A 1 .
ATOM 1221 O O    . PRO Axp A    74  ? 158.557 153.944 160.468 1   36.565  ? 108 A 1 .
ATOM 1222 C CB   . PRO Axp A    74  ? 157.237 154.027 163.131 1   38.86   ? 108 A 1 .
ATOM 1223 C CG   . PRO Axp A    74  ? 157.282 155.496 162.775 1   41.848  ? 108 A 1 .
ATOM 1224 C CD   . PRO Axp A    74  ? 158.642 156     163.191 1   39.616  ? 108 A 1 .
ATOM 1225 H HA   . PRO Axp A    74  ? 158.95  152.893 163.42  1   36.451  ? 108 A 1 c
ATOM 1226 H HB3  . PRO Axp A    74  ? 157.026 153.896 164.076 1   38.938  ? 108 A 1 c
ATOM 1227 H HB2  . PRO Axp A    74  ? 156.595 153.544 162.575 1   38.928  ? 108 A 1 c
ATOM 1228 H HG3  . PRO Axp A    74  ? 156.582 155.985 163.251 1   40.684  ? 108 A 1 c
ATOM 1229 H HG2  . PRO Axp A    74  ? 157.151 155.622 161.815 1   40.627  ? 108 A 1 c
ATOM 1230 H HD3  . PRO Axp A    74  ? 158.953 156.711 162.599 1   38.679  ? 108 A 1 c
ATOM 1231 H HD2  . PRO Axp A    74  ? 158.642 156.32  164.115 1   38.768  ? 108 A 1 c
ATOM 1232 N N    . CYS Axp A    75  ? 159.032 151.883 161.204 1   41.017  ? 109 A 1 .
ATOM 1233 C CA   . CYS Axp A    75  ? 159.121 151.314 159.886 1   41.422  ? 109 A 1 .
ATOM 1234 C C    . CYS Axp A    75  ? 158.014 150.28  159.719 1   42.207  ? 109 A 1 .
ATOM 1235 O O    . CYS Axp A    75  ? 157.878 149.341 160.496 1   43.243  ? 109 A 1 .
ATOM 1236 C CB   . CYS Axp A    75  ? 160.492 150.728 159.653 1   43.822  ? 109 A 1 .
ATOM 1237 S SG   . CYS Axp A    75  ? 160.525 150.14  157.956 1   63.033  ? 109 A 1 .
ATOM 1238 H H    . CYS Axp A    75  ? 159.181 151.346 161.928 1   39.911  ? 109 A 1 c
ATOM 1239 H HA   . CYS Axp A    75  ? 158.977 152.038 159.225 1   41.963  ? 109 A 1 c
ATOM 1240 H HB3  . CYS Axp A    75  ? 160.655 149.98  160.269 1   46.351  ? 109 A 1 c
ATOM 1241 H HB2  . CYS Axp A    75  ? 161.185 151.414 159.782 1   46.351  ? 109 A 1 c
ATOM 1242 H HG   . CYS Axp A    75  ? 161.554 149.653 158.077 0   46.54   ? 109 A 1 c
ATOM 1243 N N    . PHE Axp A    76  ? 157.197 150.478 158.691 1   44.809  ? 110 A 1 .
ATOM 1244 C CA   . PHE Axp A    76  ? 155.936 149.774 158.566 1   44.853  ? 110 A 1 .
ATOM 1245 C C    . PHE Axp A    76  ? 156.07  148.686 157.512 1   45.975  ? 110 A 1 .
ATOM 1246 O O    . PHE Axp A    76  ? 156.288 148.999 156.359 1   52.509  ? 110 A 1 .
ATOM 1247 C CB   . PHE Axp A    76  ? 154.9   150.832 158.192 1   48.174  ? 110 A 1 .
ATOM 1248 C CG   . PHE Axp A    76  ? 153.495 150.328 157.918 1   57.277  ? 110 A 1 .
ATOM 1249 C CD1  . PHE Axp A    76  ? 153.229 148.964 157.76  1   66.936  ? 110 A 1 .
ATOM 1250 C CD2  . PHE Axp A    76  ? 152.455 151.236 157.745 1   60.711  ? 110 A 1 .
ATOM 1251 C CE1  . PHE Axp A    76  ? 151.949 148.511 157.482 1   68.69   ? 110 A 1 .
ATOM 1252 C CE2  . PHE Axp A    76  ? 151.177 150.786 157.459 1   67.724  ? 110 A 1 .
ATOM 1253 C CZ   . PHE Axp A    76  ? 150.922 149.424 157.345 1   72.856  ? 110 A 1 .
ATOM 1254 H H    . PHE Axp A    76  ? 157.437 151.069 158.035 1   44.208  ? 110 A 1 c
ATOM 1255 H HA   . PHE Axp A    76  ? 155.692 149.368 159.439 1   45.666  ? 110 A 1 c
ATOM 1256 H HB3  . PHE Axp A    76  ? 155.221 151.306 157.393 1   49.272  ? 110 A 1 c
ATOM 1257 H HB2  . PHE Axp A    76  ? 154.857 151.49  158.922 1   49.262  ? 110 A 1 c
ATOM 1258 H HD1  . PHE Axp A    76  ? 153.92  148.339 157.87  1   64.316  ? 110 A 1 c
ATOM 1259 H HD2  . PHE Axp A    76  ? 152.622 152.162 157.829 1   61.519  ? 110 A 1 c
ATOM 1260 H HE1  . PHE Axp A    76  ? 151.779 147.586 157.402 1   69.03   ? 110 A 1 c
ATOM 1261 H HE2  . PHE Axp A    76  ? 150.473 151.405 157.362 1   67.034  ? 110 A 1 c
ATOM 1262 H HZ   . PHE Axp A    76  ? 150.049 149.123 157.149 1   70.432  ? 110 A 1 c
ATOM 1263 N N    . LEU Axp A    77  ? 155.911 147.42  157.914 1   51.079  ? 111 A 1 .
ATOM 1264 C CA   . LEU Axp A    77  ? 155.96  146.269 157.017 1   55.542  ? 111 A 1 .
ATOM 1265 C C    . LEU Axp A    77  ? 154.621 145.54  157.045 1   64.897  ? 111 A 1 .
ATOM 1266 O O    . LEU Axp A    77  ? 154.11  145.224 158.109 1   71.279  ? 111 A 1 .
ATOM 1267 C CB   . LEU Axp A    77  ? 157.059 145.3   157.44  1   54.413  ? 111 A 1 .
ATOM 1268 C CG   . LEU Axp A    77  ? 158.336 145.939 157.99  1   58.502  ? 111 A 1 .
ATOM 1269 C CD1  . LEU Axp A    77  ? 159.359 144.855 158.252 1   59.329  ? 111 A 1 .
ATOM 1270 C CD2  . LEU Axp A    77  ? 158.917 147.007 157.083 1   59.259  ? 111 A 1 .
ATOM 1271 H H    . LEU Axp A    77  ? 155.767 147.263 158.802 1   50.771  ? 111 A 1 c
ATOM 1272 H HA   . LEU Axp A    77  ? 156.138 146.586 156.096 1   56.191  ? 111 A 1 c
ATOM 1273 H HB3  . LEU Axp A    77  ? 157.299 144.748 156.66  1   55.601  ? 111 A 1 c
ATOM 1274 H HB2  . LEU Axp A    77  ? 156.693 144.698 158.129 1   55.703  ? 111 A 1 c
ATOM 1275 H HG   . LEU Axp A    77  ? 158.117 146.364 158.86  1   57.979  ? 111 A 1 c
ATOM 1276 H HD11 . LEU Axp A    77  ? 158.954 144.146 158.779 1   59.055  ? 111 A 1 c
ATOM 1277 H HD12 . LEU Axp A    77  ? 160.112 145.229 158.74  1   59.076  ? 111 A 1 c
ATOM 1278 H HD13 . LEU Axp A    77  ? 159.671 144.491 157.406 1   59.076  ? 111 A 1 c
ATOM 1279 H HD21 . LEU Axp A    77  ? 158.643 147.884 157.398 1   58.962  ? 111 A 1 c
ATOM 1280 H HD22 . LEU Axp A    77  ? 158.596 146.875 156.176 1   58.974  ? 111 A 1 c
ATOM 1281 H HD23 . LEU Axp A    77  ? 159.888 146.951 157.093 1   59.011  ? 111 A 1 c
ATOM 1282 N N    . THR Axp A    78  ? 154.093 145.194 155.876 1   80.294  ? 112 A 1 .
ATOM 1283 C CA   . THR Axp A    78  ? 152.806 144.523 155.815 1   95.84   ? 112 A 1 .
ATOM 1284 C C    . THR Axp A    78  ? 153.004 143.006 155.742 1   112.089 ? 112 A 1 .
ATOM 1285 O O    . THR Axp A    78  ? 153.185 142.317 156.752 1   104.548 ? 112 A 1 .
ATOM 1286 C CB   . THR Axp A    78  ? 151.978 145.067 154.649 1   99.948  ? 112 A 1 .
ATOM 1287 O OG1  . THR Axp A    78  ? 151.009 144.032 154.495 1   118.781 ? 112 A 1 .
ATOM 1288 C CG2  . THR Axp A    78  ? 152.742 145.348 153.36  1   88.091  ? 112 A 1 .
ATOM 1289 H H    . THR Axp A    78  ? 154.555 145.352 155.105 1   79.394  ? 112 A 1 c
ATOM 1290 H HA   . THR Axp A    78  ? 152.32  144.725 156.644 1   95.631  ? 112 A 1 c
ATOM 1291 H HB   . THR Axp A    78  ? 151.524 145.895 154.933 1   100.25  ? 112 A 1 c
ATOM 1292 H HG1  . THR Axp A    78  ? 151.331 143.245 154.157 0   73.02   ? 112 A 1 c
ATOM 1293 H HG21 . THR Axp A    78  ? 152.177 145.864 152.761 1   91.59   ? 112 A 1 c
ATOM 1294 H HG22 . THR Axp A    78  ? 152.981 144.515 152.929 1   92.058  ? 112 A 1 c
ATOM 1295 H HG23 . THR Axp A    78  ? 153.544 145.858 153.556 1   91.593  ? 112 A 1 c
ATOM 1296 N N    . THR Axp A    79  ? 152.929 142.465 154.526 1   129.753 ? 113 A 1 .
ATOM 1297 C CA   . THR Axp A    79  ? 153.024 141.03  154.355 1   144.52  ? 113 A 1 .
ATOM 1298 C C    . THR Axp A    79  ? 154.312 140.699 153.599 1   138.292 ? 113 A 1 .
ATOM 1299 O O    . THR Axp A    79  ? 154.417 139.638 153.002 1   137.691 ? 113 A 1 .
ATOM 1300 C CB   . THR Axp A    79  ? 151.739 140.513 153.689 1   159.834 ? 113 A 1 .
ATOM 1301 O OG1  . THR Axp A    79  ? 151.7   140.994 152.347 1   158.865 ? 113 A 1 .
ATOM 1302 C CG2  . THR Axp A    79  ? 150.486 140.887 154.479 1   144.772 ? 113 A 1 .
ATOM 1303 H H    . THR Axp A    79  ? 152.818 142.989 153.789 1   127.108 ? 113 A 1 c
ATOM 1304 H HA   . THR Axp A    79  ? 153.084 140.623 155.243 1   142.709 ? 113 A 1 c
ATOM 1305 H HB   . THR Axp A    79  ? 151.817 139.53  153.669 1   154.408 ? 113 A 1 c
ATOM 1306 H HG1  . THR Axp A    79  ? 151.776 141.875 152.174 0   83.72   ? 113 A 1 c
ATOM 1307 H HG21 . THR Axp A    79  ? 149.807 141.233 153.877 1   149.317 ? 113 A 1 c
ATOM 1308 H HG22 . THR Axp A    79  ? 150.708 141.571 155.13  1   148.618 ? 113 A 1 c
ATOM 1309 H HG23 . THR Axp A    79  ? 150.145 140.109 154.948 1   149.218 ? 113 A 1 c
ATOM 1310 N N    . GLN Axp A    80  ? 155.325 141.574 153.703 1   131.29  ? 114 A 1 .
ATOM 1311 C CA   . GLN Axp A    80  ? 156.619 141.358 153.069 1   110.333 ? 114 A 1 .
ATOM 1312 C C    . GLN Axp A    80  ? 157.285 140.116 153.662 1   114.155 ? 114 A 1 .
ATOM 1313 O O    . GLN Axp A    80  ? 158.362 139.735 153.209 1   118.722 ? 114 A 1 .
ATOM 1314 C CB   . GLN Axp A    80  ? 157.577 142.55  153.209 1   94.803  ? 114 A 1 .
ATOM 1315 C CG   . GLN Axp A    80  ? 157.243 143.765 152.351 1   93.41   ? 114 A 1 .
ATOM 1316 C CD   . GLN Axp A    80  ? 155.987 144.489 152.785 1   104.742 ? 114 A 1 .
ATOM 1317 O OE1  . GLN Axp A    80  ? 154.907 143.9   152.948 1   108.909 ? 114 A 1 .
ATOM 1318 N NE2  . GLN Axp A    80  ? 156.129 145.792 152.978 1   103.362 ? 114 A 1 .
ATOM 1319 H H    . GLN Axp A    80  ? 155.209 142.329 154.205 1   127.425 ? 114 A 1 c
ATOM 1320 H HA   . GLN Axp A    80  ? 156.465 141.197 152.104 1   111.727 ? 114 A 1 c
ATOM 1321 H HB3  . GLN Axp A    80  ? 158.481 142.249 152.983 1   97.992  ? 114 A 1 c
ATOM 1322 H HB2  . GLN Axp A    80  ? 157.587 142.826 154.149 1   97.841  ? 114 A 1 c
ATOM 1323 H HG3  . GLN Axp A    80  ? 157.138 143.482 151.418 1   96.232  ? 114 A 1 c
ATOM 1324 H HG2  . GLN Axp A    80  ? 157.991 144.398 152.388 1   96.269  ? 114 A 1 c
ATOM 1325 H HE21 . GLN Axp A    80  ? 156.444 146.093 153.751 1   103.785 ? 114 A 1 c
ATOM 1326 H HE22 . GLN Axp A    80  ? 155.908 146.361 152.334 1   103.785 ? 114 A 1 c
ATOM 1327 N N    . ASP Axp A    81  ? 156.641 139.487 154.662 1   121.931 ? 115 A 1 .
ATOM 1328 C CA   . ASP Axp A    81  ? 157.249 138.399 155.418 1   137.372 ? 115 A 1 .
ATOM 1329 C C    . ASP Axp A    81  ? 156.309 137.204 155.491 1   170.466 ? 115 A 1 .
ATOM 1330 O O    . ASP Axp A    81  ? 155.474 137.062 154.589 1   176.364 ? 115 A 1 .
ATOM 1331 C CB   . ASP Axp A    81  ? 157.632 138.872 156.804 1   113.73  ? 115 A 1 .
ATOM 1332 C CG   . ASP Axp A    81  ? 158.384 140.183 156.782 1   100.805 ? 115 A 1 .
ATOM 1333 O OD1  . ASP Axp A    81  ? 159.053 140.442 155.779 1   100.45  ? 115 A 1 .
ATOM 1334 O OD2  . ASP Axp A    81  ? 158.275 140.932 157.752 1   97.515  ? 115 A 1 .
ATOM 1335 H H    . ASP Axp A    81  ? 155.799 139.752 154.893 1   123.423 ? 115 A 1 c
ATOM 1336 H HA   . ASP Axp A    81  ? 158.071 138.117 154.957 1   134.448 ? 115 A 1 c
ATOM 1337 H HB3  . ASP Axp A    81  ? 158.221 138.209 157.221 1   116.209 ? 115 A 1 c
ATOM 1338 H HB2  . ASP Axp A    81  ? 156.836 138.969 157.363 1   116.174 ? 115 A 1 c
ATOM 1339 N N    . ILE Axp A    82  ? 156.477 136.341 156.527 1   176.348 ? 116 A 1 .
ATOM 1340 C CA   . ILE Axp A    82  ? 155.684 135.121 156.654 1   163.108 ? 116 A 1 .
ATOM 1341 C C    . ILE Axp A    82  ? 154.289 135.485 157.174 1   186.633 ? 116 A 1 .
ATOM 1342 O O    . ILE Axp A    82  ? 153.735 134.807 158.034 1   197.765 ? 116 A 1 .
ATOM 1343 C CB   . ILE Axp A    82  ? 156.404 134.013 157.448 1   129.369 ? 116 A 1 .
ATOM 1344 C CG1  . ILE Axp A    82  ? 156.458 134.25  158.922 0.1 128.395 ? 116 A 1 .
ATOM 1345 C CG2  . ILE Axp A    82  ? 157.813 133.748 156.918 0.1 129.097 ? 116 A 1 .
ATOM 1346 C CD1  . ILE Axp A    82  ? 156.914 132.992 159.633 0.1 125.009 ? 116 A 1 .
ATOM 1347 H H    . ILE Axp A    82  ? 157.101 136.522 157.169 1   169.559 ? 116 A 1 c
ATOM 1348 H HA   . ILE Axp A    82  ? 155.553 134.758 155.774 1   162.043 ? 116 A 1 c
ATOM 1349 H HB   . ILE Axp A    82  ? 155.889 133.193 157.313 1   134.691 ? 116 A 1 c
ATOM 1350 H HG12 . ILE Axp A    82  ? 155.574 134.505 159.251 0.1 128.47  ? 116 A 1 c
ATOM 1351 H HG13 . ILE Axp A    82  ? 157.081 134.981 159.111 0.1 127.7   ? 116 A 1 c
ATOM 1352 H HG21 . ILE Axp A    82  ? 158.306 133.211 157.561 0.1 129.319 ? 116 A 1 c
ATOM 1353 H HG22 . ILE Axp A    82  ? 158.277 134.59  156.78  0.1 129.705 ? 116 A 1 c
ATOM 1354 H HG23 . ILE Axp A    82  ? 157.758 133.269 156.074 0.1 129.388 ? 116 A 1 c
ATOM 1355 H HD11 . ILE Axp A    82  ? 156.328 132.257 159.371 0.1 125.191 ? 116 A 1 c
ATOM 1356 H HD12 . ILE Axp A    82  ? 156.848 133.122 160.589 0.1 123.258 ? 116 A 1 c
ATOM 1357 H HD13 . ILE Axp A    82  ? 157.828 132.777 159.376 0.1 124.219 ? 116 A 1 c
ATOM 1358 N N    . HIS Axp A    83  ? 153.696 136.539 156.585 1   203.455 ? 117 A 1 .
ATOM 1359 C CA   . HIS Axp A    83  ? 152.302 136.916 156.804 1   193.512 ? 117 A 1 .
ATOM 1360 C C    . HIS Axp A    83  ? 151.423 136.418 155.647 1   208.66  ? 117 A 1 .
ATOM 1361 O O    . HIS Axp A    83  ? 150.452 135.705 155.897 1   195.524 ? 117 A 1 .
ATOM 1362 C CB   . HIS Axp A    83  ? 152.17  138.43  157.028 1   172.663 ? 117 A 1 .
ATOM 1363 C CG   . HIS Axp A    83  ? 153.025 138.965 158.124 0.1 161.777 ? 117 A 1 .
ATOM 1364 N ND1  . HIS Axp A    83  ? 152.587 139.042 159.426 0.1 153.821 ? 117 A 1 .
ATOM 1365 C CD2  . HIS Axp A    83  ? 154.271 139.434 158.129 0.1 156.107 ? 117 A 1 .
ATOM 1366 C CE1  . HIS Axp A    83  ? 153.551 139.521 160.191 0.1 150.121 ? 117 A 1 .
ATOM 1367 N NE2  . HIS Axp A    83  ? 154.585 139.759 159.42  0.1 152.521 ? 117 A 1 .
ATOM 1368 H H    . HIS Axp A    83  ? 154.183 137.045 156.003 1   196.409 ? 117 A 1 c
ATOM 1369 H HA   . HIS Axp A    83  ? 151.999 136.466 157.63  1   193.699 ? 117 A 1 c
ATOM 1370 H HB3  . HIS Axp A    83  ? 151.231 138.636 157.23  1   174.39  ? 117 A 1 c
ATOM 1371 H HB2  . HIS Axp A    83  ? 152.4   138.889 156.193 1   174.043 ? 117 A 1 c
ATOM 1372 H HD1  . HIS Axp A    83  ? 151.745 138.84  159.612 0   120.46  ? 117 A 1 c
ATOM 1373 H HD2  . HIS Axp A    83  ? 154.841 139.503 157.388 0.1 156.131 ? 117 A 1 c
ATOM 1374 H HE1  . HIS Axp A    83  ? 153.501 139.676 161.119 0.1 151.65  ? 117 A 1 c
ATOM 1375 H HE2  . HIS Axp A    83  ? 155.33  140.117 159.617 0   120.46  ? 117 A 1 c
ATOM 1376 N N    . LEU Axp A    84  ? 151.744 136.809 154.394 1   217.741 ? 118 A 1 .
ATOM 1377 C CA   . LEU Axp A    84  ? 150.981 136.438 153.196 1   192.302 ? 118 A 1 .
ATOM 1378 C C    . LEU Axp A    84  ? 151.806 135.49  152.308 1   203.653 ? 118 A 1 .
ATOM 1379 O O    . LEU Axp A    84  ? 151.433 134.328 152.175 1   235.526 ? 118 A 1 .
ATOM 1380 C CB   . LEU Axp A    84  ? 150.482 137.612 152.344 1   172.082 ? 118 A 1 .
ATOM 1381 C CG   . LEU Axp A    84  ? 149.568 138.667 152.97  0.1 162.541 ? 118 A 1 .
ATOM 1382 C CD1  . LEU Axp A    84  ? 149.188 139.601 151.835 0.1 157.584 ? 118 A 1 .
ATOM 1383 C CD2  . LEU Axp A    84  ? 148.32  138.245 153.698 0.1 157.02  ? 118 A 1 .
ATOM 1384 H H    . LEU Axp A    84  ? 152.483 137.336 154.284 1   208.96  ? 118 A 1 c
ATOM 1385 H HA   . LEU Axp A    84  ? 150.188 135.929 153.502 1   195.392 ? 118 A 1 c
ATOM 1386 H HB3  . LEU Axp A    84  ? 150.015 137.235 151.563 1   174.234 ? 118 A 1 c
ATOM 1387 H HB2  . LEU Axp A    84  ? 151.273 138.075 151.982 1   174.069 ? 118 A 1 c
ATOM 1388 H HG   . LEU Axp A    84  ? 150.105 139.169 153.61  0.1 161.792 ? 118 A 1 c
ATOM 1389 H HD11 . LEU Axp A    84  ? 149.965 139.778 151.279 0.1 159.179 ? 118 A 1 c
ATOM 1390 H HD12 . LEU Axp A    84  ? 148.852 140.437 152.197 0.1 158.916 ? 118 A 1 c
ATOM 1391 H HD13 . LEU Axp A    84  ? 148.496 139.185 151.294 0.1 159.04  ? 118 A 1 c
ATOM 1392 H HD21 . LEU Axp A    84  ? 148.533 137.529 154.321 0.1 158.645 ? 118 A 1 c
ATOM 1393 H HD22 . LEU Axp A    84  ? 147.661 137.93  153.057 0.1 158.645 ? 118 A 1 c
ATOM 1394 H HD23 . LEU Axp A    84  ? 147.958 139.002 154.189 0.1 158.645 ? 118 A 1 c
ATOM 1395 N N    . GLY Axp A    85  ? 152.9   135.985 151.687 1   192.838 ? 119 A 1 .
ATOM 1396 C CA   . GLY Axp A    85  ? 153.648 135.301 150.631 1   171.119 ? 119 A 1 .
ATOM 1397 C C    . GLY Axp A    85  ? 154.889 134.548 151.128 1   183.204 ? 119 A 1 .
ATOM 1398 O O    . GLY Axp A    85  ? 154.911 133.323 151.061 1   200.117 ? 119 A 1 .
ATOM 1399 H H    . GLY Axp A    85  ? 153.199 136.807 151.952 1   189.926 ? 119 A 1 c
ATOM 1400 H HA3  . GLY Axp A    85  ? 153.926 135.97  149.962 1   178.849 ? 119 A 1 c
ATOM 1401 H HA2  . GLY Axp A    85  ? 153.045 134.665 150.178 1   179.261 ? 119 A 1 c
ATOM 1402 N N    . VAL Axp A    86  ? 155.936 135.286 151.551 1   181.314 ? 120 A 1 .
ATOM 1403 C CA   . VAL Axp A    86  ? 157.137 134.779 152.23  1   165.691 ? 120 A 1 .
ATOM 1404 C C    . VAL Axp A    86  ? 157.722 133.518 151.594 1   189.943 ? 120 A 1 .
ATOM 1405 O O    . VAL Axp A    86  ? 157.101 132.46  151.64  1   199.057 ? 120 A 1 .
ATOM 1406 C CB   . VAL Axp A    86  ? 156.866 134.473 153.707 1   139.776 ? 120 A 1 .
ATOM 1407 C CG1  . VAL Axp A    86  ? 158.143 134.266 154.503 0.1 138.795 ? 120 A 1 .
ATOM 1408 C CG2  . VAL Axp A    86  ? 156.031 135.574 154.275 0.1 145.75  ? 120 A 1 .
ATOM 1409 H H    . VAL Axp A    86  ? 155.895 136.185 151.394 1   177.753 ? 120 A 1 c
ATOM 1410 H HA   . VAL Axp A    86  ? 157.815 135.481 152.189 1   167.763 ? 120 A 1 c
ATOM 1411 H HB   . VAL Axp A    86  ? 156.339 133.641 153.746 1   145.68  ? 120 A 1 c
ATOM 1412 H HG11 . VAL Axp A    86  ? 158.91  134.523 153.965 0.1 140.036 ? 120 A 1 c
ATOM 1413 H HG12 . VAL Axp A    86  ? 158.218 133.33  154.749 0.1 139.343 ? 120 A 1 c
ATOM 1414 H HG13 . VAL Axp A    86  ? 158.119 134.81  155.307 0.1 139.548 ? 120 A 1 c
ATOM 1415 H HG21 . VAL Axp A    86  ? 156.387 135.807 155.134 0.1 145.699 ? 120 A 1 c
ATOM 1416 H HG22 . VAL Axp A    86  ? 155.106 135.271 154.35  0.1 145.333 ? 120 A 1 c
ATOM 1417 H HG23 . VAL Axp A    86  ? 156.077 136.338 153.675 0.1 145.485 ? 120 A 1 c
ATOM 1418 N N    . ASN Axp A    87  ? 158.98  133.611 151.135 1   204.257 ? 121 A 1 .
ATOM 1419 C CA   . ASN Axp A    87  ? 159.72  132.455 150.642 1   190.161 ? 121 A 1 .
ATOM 1420 C C    . ASN Axp A    87  ? 160.777 132.009 151.664 1   200.523 ? 121 A 1 .
ATOM 1421 O O    . ASN Axp A    87  ? 161.343 130.93  151.496 1   195.891 ? 121 A 1 .
ATOM 1422 C CB   . ASN Axp A    87  ? 160.338 132.702 149.264 1   156.322 ? 121 A 1 .
ATOM 1423 C CG   . ASN Axp A    87  ? 159.33  133.13  148.222 0.1 144.352 ? 121 A 1 .
ATOM 1424 O OD1  . ASN Axp A    87  ? 158.231 133.584 148.559 0.1 137.184 ? 121 A 1 .
ATOM 1425 N ND2  . ASN Axp A    87  ? 159.693 133.02  146.953 0.1 135.444 ? 121 A 1 .
ATOM 1426 H H    . ASN Axp A    87  ? 159.387 134.429 151.115 1   196.994 ? 121 A 1 c
ATOM 1427 H HA   . ASN Axp A    87  ? 159.083 131.714 150.536 1   187.786 ? 121 A 1 c
ATOM 1428 H HB3  . ASN Axp A    87  ? 160.776 131.882 148.961 1   160.462 ? 121 A 1 c
ATOM 1429 H HB2  . ASN Axp A    87  ? 161.023 133.395 149.343 1   160.462 ? 121 A 1 c
ATOM 1430 H HD21 . ASN Axp A    87  ? 159.096 132.784 146.341 0.1 138.153 ? 121 A 1 c
ATOM 1431 H HD22 . ASN Axp A    87  ? 160.532 133.184 146.717 0.1 138.241 ? 121 A 1 c
ATOM 1432 N N    . GLU Axp A    88  ? 161.033 132.814 152.716 1   200.315 ? 122 A 1 .
ATOM 1433 C CA   . GLU Axp A    88  ? 162.027 132.493 153.737 1   179.104 ? 122 A 1 .
ATOM 1434 C C    . GLU Axp A    88  ? 161.379 132.279 155.109 1   164.692 ? 122 A 1 .
ATOM 1435 O O    . GLU Axp A    88  ? 160.367 132.901 155.438 1   137.351 ? 122 A 1 .
ATOM 1436 C CB   . GLU Axp A    88  ? 163.12  133.56  153.853 1   158.48  ? 122 A 1 .
ATOM 1437 C CG   . GLU Axp A    88  ? 164.147 133.494 152.73  0.1 139.437 ? 122 A 1 .
ATOM 1438 C CD   . GLU Axp A    88  ? 165.437 134.216 153.077 0.1 122.472 ? 122 A 1 .
ATOM 1439 O OE1  . GLU Axp A    88  ? 165.452 134.988 154.056 0.1 116.419 ? 122 A 1 .
ATOM 1440 O OE2  . GLU Axp A    88  ? 166.443 133.987 152.381 0.1 107.147 ? 122 A 1 .
ATOM 1441 H H    . GLU Axp A    88  ? 160.573 133.598 152.795 1   194.854 ? 122 A 1 c
ATOM 1442 H HA   . GLU Axp A    88  ? 162.469 131.646 153.476 1   175.932 ? 122 A 1 c
ATOM 1443 H HB3  . GLU Axp A    88  ? 163.576 133.449 154.713 1   157.799 ? 122 A 1 c
ATOM 1444 H HB2  . GLU Axp A    88  ? 162.699 134.445 153.85  1   158.169 ? 122 A 1 c
ATOM 1445 H HG3  . GLU Axp A    88  ? 163.768 133.898 151.92  0.1 139.382 ? 122 A 1 c
ATOM 1446 H HG2  . GLU Axp A    88  ? 164.354 132.556 152.533 0.1 139.563 ? 122 A 1 c
ATOM 1447 N N    . SER Axp A    89  ? 162.008 131.397 155.906 1   155.699 ? 123 A 1 .
ATOM 1448 C CA   . SER Axp A    89  ? 161.544 131.044 157.24  1   142.742 ? 123 A 1 .
ATOM 1449 C C    . SER Axp A    89  ? 161.797 132.217 158.178 1   134.542 ? 123 A 1 .
ATOM 1450 O O    . SER Axp A    89  ? 162.899 132.771 158.182 1   104.409 ? 123 A 1 .
ATOM 1451 C CB   . SER Axp A    89  ? 162.21  129.783 157.753 1   132.528 ? 123 A 1 .
ATOM 1452 O OG   . SER Axp A    89  ? 161.619 129.337 158.967 1   124.983 ? 123 A 1 .
ATOM 1453 H H    . SER Axp A    89  ? 162.77  130.998 155.597 1   154.884 ? 123 A 1 c
ATOM 1454 H HA   . SER Axp A    89  ? 160.567 130.885 157.194 1   141.616 ? 123 A 1 c
ATOM 1455 H HB3  . SER Axp A    89  ? 163.159 129.956 157.898 1   132.466 ? 123 A 1 c
ATOM 1456 H HB2  . SER Axp A    89  ? 162.131 129.081 157.079 1   132.816 ? 123 A 1 c
ATOM 1457 H HG   . SER Axp A    89  ? 162.171 128.505 159.287 0   106.12  ? 123 A 1 c
ATOM 1458 N N    . LEU Axp A    90  ? 160.761 132.573 158.959 1   134.536 ? 124 A 1 .
ATOM 1459 C CA   . LEU Axp A    90  ? 160.814 133.728 159.846 1   113.42  ? 124 A 1 .
ATOM 1460 C C    . LEU Axp A    90  ? 161.998 133.58  160.797 1   96.029  ? 124 A 1 .
ATOM 1461 O O    . LEU Axp A    90  ? 162.495 134.561 161.355 1   80.324  ? 124 A 1 .
ATOM 1462 C CB   . LEU Axp A    90  ? 159.546 134.081 160.629 1   100.258 ? 124 A 1 .
ATOM 1463 C CG   . LEU Axp A    90  ? 158.919 133.014 161.532 1   83.73   ? 124 A 1 .
ATOM 1464 C CD1  . LEU Axp A    90  ? 159.883 132.351 162.455 1   76.491  ? 124 A 1 .
ATOM 1465 C CD2  . LEU Axp A    90  ? 157.786 133.668 162.329 1   80.668  ? 124 A 1 .
ATOM 1466 H H    . LEU Axp A    90  ? 159.997 132.073 158.939 1   129.594 ? 124 A 1 c
ATOM 1467 H HA   . LEU Axp A    90  ? 161.019 134.497 159.267 1   110.528 ? 124 A 1 c
ATOM 1468 H HB3  . LEU Axp A    90  ? 158.871 134.388 159.986 1   99.542  ? 124 A 1 c
ATOM 1469 H HB2  . LEU Axp A    90  ? 159.752 134.865 161.188 1   98.955  ? 124 A 1 c
ATOM 1470 H HG   . LEU Axp A    90  ? 158.538 132.303 160.962 1   85.287  ? 124 A 1 c
ATOM 1471 H HD11 . LEU Axp A    90  ? 160.366 131.658 161.978 1   78.802  ? 124 A 1 c
ATOM 1472 H HD12 . LEU Axp A    90  ? 159.397 131.95  163.193 1   78.31   ? 124 A 1 c
ATOM 1473 H HD13 . LEU Axp A    90  ? 160.51  133.007 162.802 1   78.666  ? 124 A 1 c
ATOM 1474 H HD21 . LEU Axp A    90  ? 157.064 133.029 162.46  1   82.221  ? 124 A 1 c
ATOM 1475 H HD22 . LEU Axp A    90  ? 157.451 134.447 161.853 1   82.394  ? 124 A 1 c
ATOM 1476 H HD23 . LEU Axp A    90  ? 158.123 133.948 163.197 1   81.79   ? 124 A 1 c
ATOM 1477 N N    . THR Axp A    91  ? 162.468 132.346 160.954 1   91.86   ? 125 A 1 .
ATOM 1478 C CA   . THR Axp A    91  ? 163.59  132.102 161.84  1   96.802  ? 125 A 1 .
ATOM 1479 C C    . THR Axp A    91  ? 164.826 132.877 161.353 1   90.407  ? 125 A 1 .
ATOM 1480 O O    . THR Axp A    91  ? 165.787 133.013 162.107 1   75.688  ? 125 A 1 .
ATOM 1481 C CB   . THR Axp A    91  ? 163.749 130.583 161.973 1   94.216  ? 125 A 1 .
ATOM 1482 O OG1  . THR Axp A    91  ? 164.802 130.394 162.914 1   70.156  ? 125 A 1 .
ATOM 1483 C CG2  . THR Axp A    91  ? 164.03  129.867 160.663 1   102.367 ? 125 A 1 .
ATOM 1484 H H    . THR Axp A    91  ? 162.067 131.639 160.537 1   94.538  ? 125 A 1 c
ATOM 1485 H HA   . THR Axp A    91  ? 163.348 132.452 162.725 1   94.09   ? 125 A 1 c
ATOM 1486 H HB   . THR Axp A    91  ? 162.917 130.21  162.35  1   90.735  ? 125 A 1 c
ATOM 1487 H HG1  . THR Axp A    91  ? 165.604 130.646 162.479 0   81.28   ? 125 A 1 c
ATOM 1488 H HG21 . THR Axp A    91  ? 163.426 129.112 160.57  1   100.025 ? 125 A 1 c
ATOM 1489 H HG22 . THR Axp A    91  ? 164.947 129.547 160.659 1   99.73   ? 125 A 1 c
ATOM 1490 H HG23 . THR Axp A    91  ? 163.901 130.48  159.921 1   100.069 ? 125 A 1 c
ATOM 1491 N N    . ASP Axp A    92  ? 164.786 133.389 160.107 1   93.794  ? 126 A 1 .
ATOM 1492 C CA   . ASP Axp A    92  ? 165.834 134.226 159.525 1   87.244  ? 126 A 1 .
ATOM 1493 C C    . ASP Axp A    92  ? 165.347 135.67  159.466 1   78.366  ? 126 A 1 .
ATOM 1494 O O    . ASP Axp A    92  ? 166.045 136.586 159.878 1   60.377  ? 126 A 1 .
ATOM 1495 C CB   . ASP Axp A    92  ? 166.202 133.825 158.098 1   87.757  ? 126 A 1 .
ATOM 1496 C CG   . ASP Axp A    92  ? 167.315 132.8   157.891 1   77.392  ? 126 A 1 .
ATOM 1497 O OD1  . ASP Axp A    92  ? 167.837 132.266 158.9   1   67.242  ? 126 A 1 .
ATOM 1498 O OD2  . ASP Axp A    92  ? 167.649 132.538 156.703 1   71.654  ? 126 A 1 .
ATOM 1499 H H    . ASP Axp A    92  ? 164.076 133.173 159.575 1   91.557  ? 126 A 1 c
ATOM 1500 H HA   . ASP Axp A    92  ? 166.631 134.174 160.09  1   86.583  ? 126 A 1 c
ATOM 1501 H HB3  . ASP Axp A    92  ? 166.464 134.633 157.609 1   85.11   ? 126 A 1 c
ATOM 1502 H HB2  . ASP Axp A    92  ? 165.398 133.473 157.664 1   85.259  ? 126 A 1 c
ATOM 1503 N N    . THR Axp A    93  ? 164.142 135.862 158.918 1   79.086  ? 127 A 1 .
ATOM 1504 C CA   . THR Axp A    93  ? 163.47  137.151 158.945 1   76.091  ? 127 A 1 .
ATOM 1505 C C    . THR Axp A    93  ? 163.826 137.898 160.22  1   72.462  ? 127 A 1 .
ATOM 1506 O O    . THR Axp A    93  ? 164.147 139.08  160.19  1   61.754  ? 127 A 1 .
ATOM 1507 C CB   . THR Axp A    93  ? 161.96  136.938 158.894 1   70.859  ? 127 A 1 .
ATOM 1508 O OG1  . THR Axp A    93  ? 161.654 136.809 157.513 1   81.59   ? 127 A 1 .
ATOM 1509 C CG2  . THR Axp A    93  ? 161.165 138.06  159.535 1   64.315  ? 127 A 1 .
ATOM 1510 H H    . THR Axp A    93  ? 163.727 135.163 158.501 1   78.428  ? 127 A 1 c
ATOM 1511 H HA   . THR Axp A    93  ? 163.753 137.678 158.166 1   75.042  ? 127 A 1 c
ATOM 1512 H HB   . THR Axp A    93  ? 161.738 136.099 159.36  1   73.107  ? 127 A 1 c
ATOM 1513 H HG1  . THR Axp A    93  ? 162.067 137.376 156.781 0   60.75   ? 127 A 1 c
ATOM 1514 H HG21 . THR Axp A    93  ? 160.246 138.024 159.223 1   66.206  ? 127 A 1 c
ATOM 1515 H HG22 . THR Axp A    93  ? 161.553 138.918 159.291 1   66.228  ? 127 A 1 c
ATOM 1516 H HG23 . THR Axp A    93  ? 161.181 137.961 160.502 1   66.239  ? 127 A 1 c
ATOM 1517 N N    . ALA Axp A    94  ? 163.684 137.199 161.341 1   69.046  ? 128 A 1 .
ATOM 1518 C CA   . ALA Axp A    94  ? 164.045 137.774 162.612 1   67.162  ? 128 A 1 .
ATOM 1519 C C    . ALA Axp A    94  ? 165.44  138.391 162.523 1   68.571  ? 128 A 1 .
ATOM 1520 O O    . ALA Axp A    94  ? 165.619 139.558 162.852 1   81.899  ? 128 A 1 .
ATOM 1521 C CB   . ALA Axp A    94  ? 163.961 136.707 163.656 1   64.03   ? 128 A 1 .
ATOM 1522 H H    . ALA Axp A    94  ? 163.343 136.351 161.315 1   69.522  ? 128 A 1 c
ATOM 1523 H HA   . ALA Axp A    94  ? 163.393 138.497 162.827 1   67.262  ? 128 A 1 c
ATOM 1524 H HB3  . ALA Axp A    94  ? 164.272 137.059 164.504 1   64.634  ? 128 A 1 c
ATOM 1525 H HB2  . ALA Axp A    94  ? 164.516 135.952 163.397 1   64.899  ? 128 A 1 c
ATOM 1526 H HB1  . ALA Axp A    94  ? 163.04  136.411 163.748 1   64.881  ? 128 A 1 c
ATOM 1527 N N    . ARG Axp A    95  ? 166.416 137.624 162.031 1   62.986  ? 129 A 1 .
ATOM 1528 C CA   . ARG Axp A    95  ? 167.767 138.133 161.855 1   66.315  ? 129 A 1 .
ATOM 1529 C C    . ARG Axp A    95  ? 167.748 139.515 161.188 1   63.094  ? 129 A 1 .
ATOM 1530 O O    . ARG Axp A    95  ? 168.289 140.488 161.722 1   59.89   ? 129 A 1 .
ATOM 1531 C CB   . ARG Axp A    95  ? 168.622 137.21  160.984 1   76.619  ? 129 A 1 .
ATOM 1532 C CG   . ARG Axp A    95  ? 168.473 135.71  161.179 1   82.391  ? 129 A 1 .
ATOM 1533 C CD   . ARG Axp A    95  ? 169.413 135.109 162.202 1   85.425  ? 129 A 1 .
ATOM 1534 N NE   . ARG Axp A    95  ? 170.018 133.9   161.624 1   85.099  ? 129 A 1 .
ATOM 1535 C CZ   . ARG Axp A    95  ? 170.57  132.892 162.292 1   85.144  ? 129 A 1 .
ATOM 1536 N NH1  . ARG Axp A    95  ? 170.569 132.887 163.621 1   83.394  ? 129 A 1 .
ATOM 1537 N NH2  . ARG Axp A    95  ? 171.107 131.888 161.614 1   80.94   ? 129 A 1 .
ATOM 1538 H H    . ARG Axp A    95  ? 166.232 136.759 161.807 1   65.454  ? 129 A 1 c
ATOM 1539 H HA   . ARG Axp A    95  ? 168.188 138.216 162.748 1   66.793  ? 129 A 1 c
ATOM 1540 H HB3  . ARG Axp A    95  ? 169.562 137.445 161.137 1   75.415  ? 129 A 1 c
ATOM 1541 H HB2  . ARG Axp A    95  ? 168.428 137.412 160.044 1   75.017  ? 129 A 1 c
ATOM 1542 H HG3  . ARG Axp A    95  ? 168.619 135.268 160.315 1   81.72   ? 129 A 1 c
ATOM 1543 H HG2  . ARG Axp A    95  ? 167.556 135.51  161.454 1   81.356  ? 129 A 1 c
ATOM 1544 H HD3  . ARG Axp A    95  ? 168.919 134.874 163.013 1   84.627  ? 129 A 1 c
ATOM 1545 H HD2  . ARG Axp A    95  ? 170.118 135.746 162.44  1   84.538  ? 129 A 1 c
ATOM 1546 H HE   . ARG Axp A    95  ? 170.027 133.831 160.755 1   85.097  ? 129 A 1 c
ATOM 1547 H HH11 . ARG Axp A    95  ? 170.985 133.529 164.063 1   83.929  ? 129 A 1 c
ATOM 1548 H HH12 . ARG Axp A    95  ? 170.152 132.24  164.057 1   83.929  ? 129 A 1 c
ATOM 1549 H HH21 . ARG Axp A    95  ? 171.636 132.057 160.926 1   82.211  ? 129 A 1 c
ATOM 1550 H HH22 . ARG Axp A    95  ? 170.934 131.055 161.852 1   82.211  ? 129 A 1 c
ATOM 1551 N N    . VAL Axp A    96  ? 167.117 139.605 160.01  1   58.518  ? 130 A 1 .
ATOM 1552 C CA   . VAL Axp A    96  ? 167.086 140.854 159.265 1   61.172  ? 130 A 1 .
ATOM 1553 C C    . VAL Axp A    96  ? 166.646 141.986 160.198 1   52.234  ? 130 A 1 .
ATOM 1554 O O    . VAL Axp A    96  ? 167.37  142.967 160.408 1   47.311  ? 130 A 1 .
ATOM 1555 C CB   . VAL Axp A    96  ? 166.148 140.73  158.046 1   77.653  ? 130 A 1 .
ATOM 1556 C CG1  . VAL Axp A    96  ? 166.005 142.055 157.289 1   84.162  ? 130 A 1 .
ATOM 1557 C CG2  . VAL Axp A    96  ? 166.575 139.606 157.107 1   79.502  ? 130 A 1 .
ATOM 1558 H H    . VAL Axp A    96  ? 166.683 138.875 159.674 1   60.758  ? 130 A 1 c
ATOM 1559 H HA   . VAL Axp A    96  ? 167.989 141.045 158.946 1   61.536  ? 130 A 1 c
ATOM 1560 H HB   . VAL Axp A    96  ? 165.257 140.496 158.392 1   75.224  ? 130 A 1 c
ATOM 1561 H HG11 . VAL Axp A    96  ? 166.852 142.531 157.305 1   82.005  ? 130 A 1 c
ATOM 1562 H HG12 . VAL Axp A    96  ? 165.32  142.599 157.714 1   81.976  ? 130 A 1 c
ATOM 1563 H HG13 . VAL Axp A    96  ? 165.75  141.879 156.368 1   82.083  ? 130 A 1 c
ATOM 1564 H HG21 . VAL Axp A    96  ? 166.049 139.647 156.291 1   78.906  ? 130 A 1 c
ATOM 1565 H HG22 . VAL Axp A    96  ? 166.43  138.747 157.538 1   78.661  ? 130 A 1 c
ATOM 1566 H HG23 . VAL Axp A    96  ? 167.517 139.703 156.89  1   78.888  ? 130 A 1 c
ATOM 1567 N N    . LEU Axp A    97  ? 165.449 141.809 160.768 1   45.503  ? 131 A 1 .
ATOM 1568 C CA   . LEU Axp A    97  ? 164.849 142.799 161.644 1   47.768  ? 131 A 1 .
ATOM 1569 C C    . LEU Axp A    97  ? 165.762 143.1   162.821 1   50.006  ? 131 A 1 .
ATOM 1570 O O    . LEU Axp A    97  ? 165.791 144.215 163.339 1   54.036  ? 131 A 1 .
ATOM 1571 C CB   . LEU Axp A    97  ? 163.499 142.293 162.128 1   47.713  ? 131 A 1 .
ATOM 1572 C CG   . LEU Axp A    97  ? 162.33  142.601 161.197 1   47.097  ? 131 A 1 .
ATOM 1573 C CD1  . LEU Axp A    97  ? 162.724 142.425 159.766 1   48.531  ? 131 A 1 .
ATOM 1574 C CD2  . LEU Axp A    97  ? 161.193 141.691 161.528 1   47.56   ? 131 A 1 .
ATOM 1575 H H    . LEU Axp A    97  ? 164.998 141.029 160.615 1   47.997  ? 131 A 1 c
ATOM 1576 H HA   . LEU Axp A    97  ? 164.72  143.635 161.13  1   47.715  ? 131 A 1 c
ATOM 1577 H HB3  . LEU Axp A    97  ? 163.312 142.698 163.007 1   47.597  ? 131 A 1 c
ATOM 1578 H HB2  . LEU Axp A    97  ? 163.556 141.317 162.25  1   47.577  ? 131 A 1 c
ATOM 1579 H HG   . LEU Axp A    97  ? 162.045 143.54  161.342 1   47.563  ? 131 A 1 c
ATOM 1580 H HD11 . LEU Axp A    97  ? 163.367 143.108 159.514 1   48.088  ? 131 A 1 c
ATOM 1581 H HD12 . LEU Axp A    97  ? 161.936 142.504 159.203 1   48.088  ? 131 A 1 c
ATOM 1582 H HD13 . LEU Axp A    97  ? 163.119 141.546 159.642 1   48.079  ? 131 A 1 c
ATOM 1583 H HD21 . LEU Axp A    97  ? 161     141.744 162.479 1   47.365  ? 131 A 1 c
ATOM 1584 H HD22 . LEU Axp A    97  ? 161.431 140.777 161.297 1   47.422  ? 131 A 1 c
ATOM 1585 H HD23 . LEU Axp A    97  ? 160.406 141.957 161.023 1   47.446  ? 131 A 1 c
ATOM 1586 N N    . SER Axp A    98  ? 166.509 142.081 163.229 1   51.674  ? 132 A 1 .
ATOM 1587 C CA   . SER Axp A    98  ? 167.475 142.241 164.294 1   49.575  ? 132 A 1 .
ATOM 1588 C C    . SER Axp A    98  ? 168.573 143.221 163.87  1   45.464  ? 132 A 1 .
ATOM 1589 O O    . SER Axp A    98  ? 169.107 143.962 164.697 1   44.908  ? 132 A 1 .
ATOM 1590 C CB   . SER Axp A    98  ? 168.014 140.898 164.731 1   48.976  ? 132 A 1 .
ATOM 1591 O OG   . SER Axp A    98  ? 166.974 140     165.115 1   46.271  ? 132 A 1 .
ATOM 1592 H H    . SER Axp A    98  ? 166.397 141.255 162.856 1   50.786  ? 132 A 1 c
ATOM 1593 H HA   . SER Axp A    98  ? 167.001 142.639 165.063 1   49.406  ? 132 A 1 c
ATOM 1594 H HB3  . SER Axp A    98  ? 168.618 141.028 165.485 1   48.544  ? 132 A 1 c
ATOM 1595 H HB2  . SER Axp A    98  ? 168.528 140.504 164.004 1   48.538  ? 132 A 1 c
ATOM 1596 H HG   . SER Axp A    98  ? 167.468 139.088 165.251 0   32.26   ? 132 A 1 c
ATOM 1597 N N    . SER Axp A    99  ? 168.861 143.273 162.567 1   44.188  ? 133 A 1 .
ATOM 1598 C CA   . SER Axp A    99  ? 169.89  144.168 162.062 1   47.184  ? 133 A 1 .
ATOM 1599 C C    . SER Axp A    99  ? 169.33  145.534 161.679 1   48.551  ? 133 A 1 .
ATOM 1600 O O    . SER Axp A    99  ? 170.061 146.518 161.745 1   53.404  ? 133 A 1 .
ATOM 1601 C CB   . SER Axp A    99  ? 170.566 143.583 160.891 1   51.28   ? 133 A 1 .
ATOM 1602 O OG   . SER Axp A    99  ? 170.721 142.19  161.088 1   67.462  ? 133 A 1 .
ATOM 1603 H H    . SER Axp A    99  ? 168.426 142.725 161.98  1   45.338  ? 133 A 1 c
ATOM 1604 H HA   . SER Axp A    99  ? 170.566 144.3   162.775 1   47.551  ? 133 A 1 c
ATOM 1605 H HB3  . SER Axp A    99  ? 171.44  143.999 160.772 1   53.678  ? 133 A 1 c
ATOM 1606 H HB2  . SER Axp A    99  ? 170.032 143.742 160.089 1   53.612  ? 133 A 1 c
ATOM 1607 H HG   . SER Axp A    99  ? 171.138 141.675 160.52  0   36.59   ? 133 A 1 c
ATOM 1608 N N    . MET Axp A    100 ? 168.07  145.58  161.226 1   46.013  ? 134 A 1 .
ATOM 1609 C CA   . MET Axp A    100 ? 167.476 146.808 160.718 1   46.615  ? 134 A 1 .
ATOM 1610 C C    . MET Axp A    100 ? 166.762 147.583 161.843 1   48.503  ? 134 A 1 .
ATOM 1611 O O    . MET Axp A    100 ? 167.309 148.565 162.321 1   55.648  ? 134 A 1 .
ATOM 1612 C CB   . MET Axp A    100 ? 166.567 146.471 159.525 1   49.02   ? 134 A 1 .
ATOM 1613 C CG   . MET Axp A    100 ? 167.235 145.622 158.45  1   46.125  ? 134 A 1 .
ATOM 1614 S SD   . MET Axp A    100 ? 168.457 146.638 157.61  1   44.194  ? 134 A 1 .
ATOM 1615 C CE   . MET Axp A    100 ? 169.87  145.55  157.801 1   47.166  ? 134 A 1 .
ATOM 1616 H H    . MET Axp A    100 ? 167.564 144.819 161.23  1   46.727  ? 134 A 1 c
ATOM 1617 H HA   . MET Axp A    100 ? 168.214 147.383 160.393 1   47.341  ? 134 A 1 c
ATOM 1618 H HB3  . MET Axp A    100 ? 166.26  147.31  159.122 1   47.772  ? 134 A 1 c
ATOM 1619 H HB2  . MET Axp A    100 ? 165.778 145.994 159.857 1   47.756  ? 134 A 1 c
ATOM 1620 H HG3  . MET Axp A    100 ? 166.573 145.309 157.806 1   46.42   ? 134 A 1 c
ATOM 1621 H HG2  . MET Axp A    100 ? 167.672 144.848 158.852 1   46.425  ? 134 A 1 c
ATOM 1622 H HE3  . MET Axp A    100 ? 169.604 144.633 157.605 1   46.417  ? 134 A 1 c
ATOM 1623 H HE2  . MET Axp A    100 ? 170.201 145.607 158.716 1   46.455  ? 134 A 1 c
ATOM 1624 H HE1  . MET Axp A    100 ? 170.574 145.823 157.184 1   46.417  ? 134 A 1 c
ATOM 1625 N N    . ALA Axp A    101 ? 165.54  147.195 162.256 1   45.694  ? 135 A 1 .
ATOM 1626 C CA   . ALA Axp A    101 ? 164.885 147.771 163.423 1   38.788  ? 135 A 1 .
ATOM 1627 C C    . ALA Axp A    101 ? 165.595 147.285 164.688 1   41.25   ? 135 A 1 .
ATOM 1628 O O    . ALA Axp A    101 ? 166.224 146.231 164.664 1   39.181  ? 135 A 1 .
ATOM 1629 C CB   . ALA Axp A    101 ? 163.433 147.38  163.428 1   35.818  ? 135 A 1 .
ATOM 1630 H H    . ALA Axp A    101 ? 165.104 146.538 161.794 1   44.644  ? 135 A 1 c
ATOM 1631 H HA   . ALA Axp A    101 ? 164.962 148.761 163.374 1   40.086  ? 135 A 1 c
ATOM 1632 H HB3  . ALA Axp A    101 ? 163.002 147.742 164.219 1   36.639  ? 135 A 1 c
ATOM 1633 H HB2  . ALA Axp A    101 ? 163.356 146.411 163.434 1   36.669  ? 135 A 1 c
ATOM 1634 H HB1  . ALA Axp A    101 ? 162.997 147.733 162.634 1   36.669  ? 135 A 1 c
ATOM 1635 N N    . ASP Axp A    102 ? 165.511 148.054 165.787 1   45.678  ? 136 A 1 .
ATOM 1636 C CA   . ASP Axp A    102 ? 166.074 147.636 167.07  1   48.711  ? 136 A 1 .
ATOM 1637 C C    . ASP Axp A    102 ? 164.949 147.246 168.035 1   45.011  ? 136 A 1 .
ATOM 1638 O O    . ASP Axp A    102 ? 165.161 147.147 169.254 1   42.109  ? 136 A 1 .
ATOM 1639 C CB   . ASP Axp A    102 ? 167.113 148.606 167.628 1   50.483  ? 136 A 1 .
ATOM 1640 C CG   . ASP Axp A    102 ? 166.831 150.064 167.335 1   52.884  ? 136 A 1 .
ATOM 1641 O OD1  . ASP Axp A    102 ? 165.613 150.401 167.343 1   55.506  ? 136 A 1 .
ATOM 1642 O OD2  . ASP Axp A    102 ? 167.832 150.806 167.126 1   45.553  ? 136 A 1 .
ATOM 1643 H H    . ASP Axp A    102 ? 165.078 148.858 165.736 1   45.181  ? 136 A 1 c
ATOM 1644 H HA   . ASP Axp A    102 ? 166.595 146.823 166.902 1   48.058  ? 136 A 1 c
ATOM 1645 H HB3  . ASP Axp A    102 ? 167.986 148.381 167.244 1   50.566  ? 136 A 1 c
ATOM 1646 H HB2  . ASP Axp A    102 ? 167.176 148.496 168.599 1   50.526  ? 136 A 1 c
ATOM 1647 N N    . ALA Axp A    103 ? 163.779 146.938 167.455 1   43.425  ? 137 A 1 .
ATOM 1648 C CA   . ALA Axp A    103 ? 162.637 146.414 168.197 1   42.214  ? 137 A 1 .
ATOM 1649 C C    . ALA Axp A    103 ? 161.507 146.109 167.227 1   36.227  ? 137 A 1 .
ATOM 1650 O O    . ALA Axp A    103 ? 161.424 146.77  166.201 1   38.468  ? 137 A 1 .
ATOM 1651 C CB   . ALA Axp A    103 ? 162.178 147.39  169.254 1   44.977  ? 137 A 1 .
ATOM 1652 H H    . ALA Axp A    103 ? 163.686 147.062 166.555 1   43.5    ? 137 A 1 c
ATOM 1653 H HA   . ALA Axp A    103 ? 162.908 145.57  168.637 1   41.946  ? 137 A 1 c
ATOM 1654 H HB3  . ALA Axp A    103 ? 161.215 147.326 169.365 1   44.09   ? 137 A 1 c
ATOM 1655 H HB2  . ALA Axp A    103 ? 162.41  148.296 168.986 1   44.128  ? 137 A 1 c
ATOM 1656 H HB1  . ALA Axp A    103 ? 162.612 147.185 170.098 1   44.159  ? 137 A 1 c
ATOM 1657 N N    . VAL Axp A    104 ? 160.638 145.149 167.564 1   32.05   ? 138 A 1 .
ATOM 1658 C CA   . VAL Axp A    104 ? 159.575 144.797 166.646 1   32.818  ? 138 A 1 .
ATOM 1659 C C    . VAL Axp A    104 ? 158.245 144.746 167.356 1   32.669  ? 138 A 1 .
ATOM 1660 O O    . VAL Axp A    104 ? 158.074 143.952 168.265 1   35.381  ? 138 A 1 .
ATOM 1661 C CB   . VAL Axp A    104 ? 159.766 143.464 165.922 1   35.509  ? 138 A 1 .
ATOM 1662 C CG1  . VAL Axp A    104 ? 158.513 143.076 165.145 1   34.236  ? 138 A 1 .
ATOM 1663 C CG2  . VAL Axp A    104 ? 160.966 143.547 165     1   40.237  ? 138 A 1 .
ATOM 1664 H H    . VAL Axp A    104 ? 160.709 144.714 168.365 1   33.29   ? 138 A 1 c
ATOM 1665 H HA   . VAL Axp A    104 ? 159.528 145.494 165.97  1   33.129  ? 138 A 1 c
ATOM 1666 H HB   . VAL Axp A    104 ? 159.94  142.775 166.606 1   35.576  ? 138 A 1 c
ATOM 1667 H HG11 . VAL Axp A    104 ? 158.086 143.872 164.792 1   34.518  ? 138 A 1 c
ATOM 1668 H HG12 . VAL Axp A    104 ? 157.895 142.612 165.734 1   34.585  ? 138 A 1 c
ATOM 1669 H HG13 . VAL Axp A    104 ? 158.757 142.49  164.409 1   34.639  ? 138 A 1 c
ATOM 1670 H HG21 . VAL Axp A    104 ? 161.119 142.681 164.588 1   38.788  ? 138 A 1 c
ATOM 1671 H HG22 . VAL Axp A    104 ? 161.752 143.804 165.51  1   38.729  ? 138 A 1 c
ATOM 1672 H HG23 . VAL Axp A    104 ? 160.798 144.209 164.308 1   38.768  ? 138 A 1 c
ATOM 1673 N N    . LEU Axp A    105 ? 157.291 145.493 166.814 1   31.864  ? 139 A 1 .
ATOM 1674 C CA   . LEU Axp A    105 ? 155.915 145.388 167.245 1   31.796  ? 139 A 1 .
ATOM 1675 C C    . LEU Axp A    105 ? 155.179 144.589 166.192 1   28.968  ? 139 A 1 .
ATOM 1676 O O    . LEU Axp A    105 ? 155.004 145.07  165.086 1   24.471  ? 139 A 1 .
ATOM 1677 C CB   . LEU Axp A    105 ? 155.338 146.795 167.389 1   34.155  ? 139 A 1 .
ATOM 1678 C CG   . LEU Axp A    105 ? 153.87  146.905 167.812 1   33.756  ? 139 A 1 .
ATOM 1679 C CD1  . LEU Axp A    105 ? 152.928 146.62  166.653 1   33.977  ? 139 A 1 .
ATOM 1680 C CD2  . LEU Axp A    105 ? 153.635 145.954 168.972 1   35.604  ? 139 A 1 .
ATOM 1681 H H    . LEU Axp A    105 ? 157.5   146.085 166.15  1   32.128  ? 139 A 1 c
ATOM 1682 H HA   . LEU Axp A    105 ? 155.879 144.916 168.112 1   31.763  ? 139 A 1 c
ATOM 1683 H HB3  . LEU Axp A    105 ? 155.448 147.261 166.528 1   33.45   ? 139 A 1 c
ATOM 1684 H HB2  . LEU Axp A    105 ? 155.885 147.281 168.048 1   33.499  ? 139 A 1 c
ATOM 1685 H HG   . LEU Axp A    105 ? 153.705 147.83  168.128 1   34.208  ? 139 A 1 c
ATOM 1686 H HD11 . LEU Axp A    105 ? 153.32  146.944 165.825 1   33.865  ? 139 A 1 c
ATOM 1687 H HD12 . LEU Axp A    105 ? 152.081 147.072 166.806 1   33.914  ? 139 A 1 c
ATOM 1688 H HD13 . LEU Axp A    105 ? 152.772 145.663 166.584 1   33.97   ? 139 A 1 c
ATOM 1689 H HD21 . LEU Axp A    105 ? 154.349 146.055 169.618 1   35.064  ? 139 A 1 c
ATOM 1690 H HD22 . LEU Axp A    105 ? 153.614 145.039 168.649 1   35.091  ? 139 A 1 c
ATOM 1691 H HD23 . LEU Axp A    105 ? 152.789 146.168 169.397 1   35.203  ? 139 A 1 c
ATOM 1692 N N    . ALA Axp A    106 ? 154.782 143.372 166.532 1   31.54   ? 140 A 1 .
ATOM 1693 C CA   . ALA Axp A    106 ? 154.144 142.532 165.538 1   35.728  ? 140 A 1 .
ATOM 1694 C C    . ALA Axp A    106 ? 152.729 142.181 165.953 1   37.84   ? 140 A 1 .
ATOM 1695 O O    . ALA Axp A    106 ? 152.482 141.804 167.101 1   41.671  ? 140 A 1 .
ATOM 1696 C CB   . ALA Axp A    106 ? 154.944 141.288 165.326 1   38.842  ? 140 A 1 .
ATOM 1697 H H    . ALA Axp A    106 ? 154.905 143.056 167.381 1   31.784  ? 140 A 1 c
ATOM 1698 H HA   . ALA Axp A    106 ? 154.103 143.036 164.682 1   35.79   ? 140 A 1 c
ATOM 1699 H HB3  . ALA Axp A    106 ? 154.53  140.748 164.632 1   37.881  ? 140 A 1 c
ATOM 1700 H HB2  . ALA Axp A    106 ? 154.979 140.777 166.152 1   37.881  ? 140 A 1 c
ATOM 1701 H HB1  . ALA Axp A    106 ? 155.847 141.522 165.054 1   37.881  ? 140 A 1 c
ATOM 1702 N N    . ARG Axp A    107 ? 151.838 142.278 164.968 1   41.543  ? 141 A 1 .
ATOM 1703 C CA   . ARG Axp A    107 ? 150.428 142     165.139 1   50.274  ? 141 A 1 .
ATOM 1704 C C    . ARG Axp A    107 ? 150.098 140.773 164.303 1   50.934  ? 141 A 1 .
ATOM 1705 O O    . ARG Axp A    107 ? 149.834 140.88  163.115 1   47.82   ? 141 A 1 .
ATOM 1706 C CB   . ARG Axp A    107 ? 149.62  143.234 164.736 1   58.36   ? 141 A 1 .
ATOM 1707 C CG   . ARG Axp A    107 ? 148.132 143.15  165.036 1   75.072  ? 141 A 1 .
ATOM 1708 C CD   . ARG Axp A    107 ? 147.379 141.939 164.417 1   91.528  ? 141 A 1 .
ATOM 1709 N NE   . ARG Axp A    107 ? 145.959 142.187 164.107 1   107.867 ? 141 A 1 .
ATOM 1710 C CZ   . ARG Axp A    107 ? 144.976 141.285 163.932 1   103.265 ? 141 A 1 .
ATOM 1711 N NH1  . ARG Axp A    107 ? 145.135 140.018 164.295 1   98.883  ? 141 A 1 .
ATOM 1712 N NH2  . ARG Axp A    107 ? 143.806 141.669 163.435 1   98.483  ? 141 A 1 .
ATOM 1713 H H    . ARG Axp A    107 ? 152.128 142.53  164.139 1   42.319  ? 141 A 1 c
ATOM 1714 H HA   . ARG Axp A    107 ? 150.254 141.799 166.094 1   49.836  ? 141 A 1 c
ATOM 1715 H HB3  . ARG Axp A    107 ? 149.737 143.383 163.773 1   59.665  ? 141 A 1 c
ATOM 1716 H HB2  . ARG Axp A    107 ? 149.99  144.013 165.202 1   59.753  ? 141 A 1 c
ATOM 1717 H HG3  . ARG Axp A    107 ? 147.704 143.976 164.721 1   74.138  ? 141 A 1 c
ATOM 1718 H HG2  . ARG Axp A    107 ? 148.017 143.125 166.005 1   73.706  ? 141 A 1 c
ATOM 1719 H HD3  . ARG Axp A    107 ? 147.441 141.182 165.033 1   90.397  ? 141 A 1 c
ATOM 1720 H HD2  . ARG Axp A    107 ? 147.832 141.686 163.59  1   90.204  ? 141 A 1 c
ATOM 1721 H HE   . ARG Axp A    107 ? 145.719 143.021 164.026 1   102.444 ? 141 A 1 c
ATOM 1722 H HH11 . ARG Axp A    107 ? 145.768 139.529 163.918 1   100.211 ? 141 A 1 c
ATOM 1723 H HH12 . ARG Axp A    107 ? 144.606 139.668 164.911 1   100.211 ? 141 A 1 c
ATOM 1724 H HH21 . ARG Axp A    107 ? 143.419 142.403 163.739 1   99.95   ? 141 A 1 c
ATOM 1725 H HH22 . ARG Axp A    107 ? 143.419 141.188 162.803 1   99.935  ? 141 A 1 c
ATOM 1726 N N    . VAL Axp A    108 ? 150.13  139.61  164.949 1   57.351  ? 142 A 1 .
ATOM 1727 C CA   . VAL Axp A    108 ? 150.032 138.352 164.247 1   62.596  ? 142 A 1 .
ATOM 1728 C C    . VAL Axp A    108 ? 148.781 137.615 164.686 1   65.389  ? 142 A 1 .
ATOM 1729 O O    . VAL Axp A    108 ? 148.109 137.983 165.641 1   63.756  ? 142 A 1 .
ATOM 1730 C CB   . VAL Axp A    108 ? 151.278 137.481 164.462 1   65.559  ? 142 A 1 .
ATOM 1731 C CG1  . VAL Axp A    108 ? 152.496 138.034 163.724 1   67.929  ? 142 A 1 .
ATOM 1732 C CG2  . VAL Axp A    108 ? 151.532 137.279 165.948 1   66.134  ? 142 A 1 .
ATOM 1733 H H    . VAL Axp A    108 ? 150.203 139.603 165.86  1   56.874  ? 142 A 1 c
ATOM 1734 H HA   . VAL Axp A    108 ? 149.95  138.539 163.305 1   63.118  ? 142 A 1 c
ATOM 1735 H HB   . VAL Axp A    108 ? 151.085 136.596 164.081 1   65.91   ? 142 A 1 c
ATOM 1736 H HG11 . VAL Axp A    108 ? 152.371 138.983 163.552 1   67.407  ? 142 A 1 c
ATOM 1737 H HG12 . VAL Axp A    108 ? 152.606 137.564 162.881 1   67.57   ? 142 A 1 c
ATOM 1738 H HG13 . VAL Axp A    108 ? 153.291 137.908 164.269 1   67.319  ? 142 A 1 c
ATOM 1739 H HG21 . VAL Axp A    108 ? 152.152 136.541 166.07  1   65.746  ? 142 A 1 c
ATOM 1740 H HG22 . VAL Axp A    108 ? 150.697 137.075 166.4   1   65.87   ? 142 A 1 c
ATOM 1741 H HG23 . VAL Axp A    108 ? 151.916 138.088 166.326 1   65.798  ? 142 A 1 c
ATOM 1742 N N    . TYR Axp A    109 ? 148.514 136.551 163.938 1   75.324  ? 143 A 1 .
ATOM 1743 C CA   . TYR Axp A    109 ? 147.349 135.718 164.132 1   78.238  ? 143 A 1 .
ATOM 1744 C C    . TYR Axp A    109 ? 147.61  134.684 165.22  1   74.205  ? 143 A 1 .
ATOM 1745 O O    . TYR Axp A    109 ? 146.644 134.121 165.731 1   79.616  ? 143 A 1 .
ATOM 1746 C CB   . TYR Axp A    109 ? 147.004 135.049 162.796 1   79.604  ? 143 A 1 .
ATOM 1747 C CG   . TYR Axp A    109 ? 145.937 135.798 162.025 1   82.777  ? 143 A 1 .
ATOM 1748 C CD1  . TYR Axp A    109 ? 144.609 135.738 162.444 1   97.2    ? 143 A 1 .
ATOM 1749 C CD2  . TYR Axp A    109 ? 146.25  136.555 160.901 1   75.577  ? 143 A 1 .
ATOM 1750 C CE1  . TYR Axp A    109 ? 143.615 136.417 161.764 1   102.081 ? 143 A 1 .
ATOM 1751 C CE2  . TYR Axp A    109 ? 145.268 137.249 160.216 1   85.846  ? 143 A 1 .
ATOM 1752 C CZ   . TYR Axp A    109 ? 143.951 137.171 160.65  1   105.034 ? 143 A 1 .
ATOM 1753 O OH   . TYR Axp A    109 ? 142.954 137.821 159.994 1   114.524 ? 143 A 1 .
ATOM 1754 H H    . TYR Axp A    109 ? 149.091 136.336 163.263 1   73.463  ? 143 A 1 c
ATOM 1755 H HA   . TYR Axp A    109 ? 146.587 136.293 164.41  1   77.117  ? 143 A 1 c
ATOM 1756 H HB3  . TYR Axp A    109 ? 146.689 134.135 162.973 1   79.948  ? 143 A 1 c
ATOM 1757 H HB2  . TYR Axp A    109 ? 147.817 134.992 162.247 1   79.888  ? 143 A 1 c
ATOM 1758 H HD1  . TYR Axp A    109 ? 144.384 135.226 163.205 1   94.591  ? 143 A 1 c
ATOM 1759 H HD2  . TYR Axp A    109 ? 147.147 136.611 160.611 1   79.923  ? 143 A 1 c
ATOM 1760 H HE1  . TYR Axp A    109 ? 142.72  136.369 162.053 1   101.237 ? 143 A 1 c
ATOM 1761 H HE2  . TYR Axp A    109 ? 145.486 137.757 159.453 1   87.523  ? 143 A 1 c
ATOM 1762 H HH   . TYR Axp A    109 ? 141.852 137.307 160.421 0   71.69   ? 143 A 1 c
ATOM 1763 N N    . LYS Axp A    110 ? 148.889 134.416 165.532 1   59.702  ? 144 A 1 .
ATOM 1764 C CA   . LYS Axp A    110 ? 149.241 133.265 166.34  1   59.97   ? 144 A 1 .
ATOM 1765 C C    . LYS Axp A    110 ? 150.314 133.664 167.329 1   54.968  ? 144 A 1 .
ATOM 1766 O O    . LYS Axp A    110 ? 151.332 134.199 166.913 1   60.516  ? 144 A 1 .
ATOM 1767 C CB   . LYS Axp A    110 ? 149.857 132.126 165.515 1   72.738  ? 144 A 1 .
ATOM 1768 C CG   . LYS Axp A    110 ? 148.98  131.462 164.449 1   85.088  ? 144 A 1 .
ATOM 1769 C CD   . LYS Axp A    110 ? 149.407 130.04  164.075 1   93.69   ? 144 A 1 .
ATOM 1770 C CE   . LYS Axp A    110 ? 150.78  129.888 163.458 1   99.923  ? 144 A 1 .
ATOM 1771 N NZ   . LYS Axp A    110 ? 150.777 130.2   162.026 1   108.436 ? 144 A 1 .
ATOM 1772 H H    . LYS Axp A    110 ? 149.556 134.963 165.23  1   63.086  ? 144 A 1 c
ATOM 1773 H HA   . LYS Axp A    110 ? 148.442 132.942 166.822 1   61.355  ? 144 A 1 c
ATOM 1774 H HB3  . LYS Axp A    110 ? 150.152 131.427 166.137 1   72.11   ? 144 A 1 c
ATOM 1775 H HB2  . LYS Axp A    110 ? 150.658 132.473 165.069 1   71.983  ? 144 A 1 c
ATOM 1776 H HG3  . LYS Axp A    110 ? 148.996 132.021 163.642 1   83.906  ? 144 A 1 c
ATOM 1777 H HG2  . LYS Axp A    110 ? 148.055 131.44  164.778 1   83.906  ? 144 A 1 c
ATOM 1778 H HD3  . LYS Axp A    110 ? 148.743 129.676 163.45  1   93.029  ? 144 A 1 c
ATOM 1779 H HD2  . LYS Axp A    110 ? 149.368 129.486 164.886 1   93.029  ? 144 A 1 c
ATOM 1780 H HE3  . LYS Axp A    110 ? 151.088 128.972 163.58  1   100.376 ? 144 A 1 c
ATOM 1781 H HE2  . LYS Axp A    110 ? 151.409 130.479 163.909 1   100.254 ? 144 A 1 c
ATOM 1782 H HZ1  . LYS Axp A    110 ? 150.438 131.03  161.894 1   105.741 ? 144 A 1 c
ATOM 1783 H HZ2  . LYS Axp A    110 ? 150.269 129.596 161.582 1   105.741 ? 144 A 1 c
ATOM 1784 H HZ3  . LYS Axp A    110 ? 151.624 130.17  161.705 1   105.741 ? 144 A 1 c
ATOM 1785 N N    . GLN Axp A    111 ? 150.114 133.337 168.608 1   56.414  ? 145 A 1 .
ATOM 1786 C CA   . GLN Axp A    111 ? 151.189 133.48  169.576 1   55.953  ? 145 A 1 .
ATOM 1787 C C    . GLN Axp A    111 ? 152.401 132.759 169.023 1   57.124  ? 145 A 1 .
ATOM 1788 O O    . GLN Axp A    111 ? 153.416 133.391 168.768 1   64.121  ? 145 A 1 .
ATOM 1789 C CB   . GLN Axp A    111 ? 150.912 132.895 170.957 1   55.364  ? 145 A 1 .
ATOM 1790 C CG   . GLN Axp A    111 ? 150.222 133.862 171.909 1   56.554  ? 145 A 1 .
ATOM 1791 C CD   . GLN Axp A    111 ? 151.06  135.081 172.227 1   55.269  ? 145 A 1 .
ATOM 1792 O OE1  . GLN Axp A    111 ? 151.056 136.056 171.48  1   52.053  ? 145 A 1 .
ATOM 1793 N NE2  . GLN Axp A    111 ? 151.765 135.056 173.349 1   57.921  ? 145 A 1 .
ATOM 1794 H H    . GLN Axp A    111 ? 149.301 133.022 168.884 1   56.032  ? 145 A 1 c
ATOM 1795 H HA   . GLN Axp A    111 ? 151.405 134.441 169.658 1   56.165  ? 145 A 1 c
ATOM 1796 H HB3  . GLN Axp A    111 ? 151.76  132.611 171.356 1   55.94   ? 145 A 1 c
ATOM 1797 H HB2  . GLN Axp A    111 ? 150.351 132.098 170.854 1   55.837  ? 145 A 1 c
ATOM 1798 H HG3  . GLN Axp A    111 ? 150.006 133.396 172.745 1   55.988  ? 145 A 1 c
ATOM 1799 H HG2  . GLN Axp A    111 ? 149.38  134.159 171.506 1   55.94   ? 145 A 1 c
ATOM 1800 H HE21 . GLN Axp A    111 ? 151.887 135.804 173.811 1   57.091  ? 145 A 1 c
ATOM 1801 H HE22 . GLN Axp A    111 ? 152.113 134.293 173.636 1   57.088  ? 145 A 1 c
ATOM 1802 N N    . SER Axp A    112 ? 152.217 131.452 168.796 1   61.371  ? 146 A 1 .
ATOM 1803 C CA   . SER Axp A    112 ? 153.192 130.556 168.184 1   67.437  ? 146 A 1 .
ATOM 1804 C C    . SER Axp A    112 ? 154.294 131.327 167.463 1   63.693  ? 146 A 1 .
ATOM 1805 O O    . SER Axp A    112 ? 155.464 131.246 167.847 1   60.052  ? 146 A 1 .
ATOM 1806 C CB   . SER Axp A    112 ? 152.512 129.599 167.218 1   72.554  ? 146 A 1 .
ATOM 1807 O OG   . SER Axp A    112 ? 151.246 129.161 167.702 1   76.043  ? 146 A 1 .
ATOM 1808 H H    . SER Axp A    112 ? 151.414 131.09  169.041 1   61.543  ? 146 A 1 c
ATOM 1809 H HA   . SER Axp A    112 ? 153.612 130.022 168.906 1   66.397  ? 146 A 1 c
ATOM 1810 H HB3  . SER Axp A    112 ? 153.088 128.824 167.079 1   72.12   ? 146 A 1 c
ATOM 1811 H HB2  . SER Axp A    112 ? 152.389 130.038 166.357 1   71.905  ? 146 A 1 c
ATOM 1812 H HG   . SER Axp A    112 ? 150.878 128.62  167.312 0   49.54   ? 146 A 1 c
ATOM 1813 N N    . ASP Axp A    113 ? 153.886 132.055 166.413 1   57.794  ? 147 A 1 .
ATOM 1814 C CA   . ASP Axp A    113 ? 154.789 132.87  165.628 1   51.606  ? 147 A 1 .
ATOM 1815 C C    . ASP Axp A    113 ? 155.57  133.794 166.539 1   49.01   ? 147 A 1 .
ATOM 1816 O O    . ASP Axp A    113 ? 156.778 133.819 166.453 1   57.574  ? 147 A 1 .
ATOM 1817 C CB   . ASP Axp A    113 ? 154.069 133.674 164.571 1   55.688  ? 147 A 1 .
ATOM 1818 C CG   . ASP Axp A    113 ? 153.438 132.809 163.495 1   66.319  ? 147 A 1 .
ATOM 1819 O OD1  . ASP Axp A    113 ? 154.144 131.89  163.008 1   63.309  ? 147 A 1 .
ATOM 1820 O OD2  . ASP Axp A    113 ? 152.251 133.069 163.165 1   73.773  ? 147 A 1 .
ATOM 1821 H H    . ASP Axp A    113 ? 152.999 132.057 166.194 1   57.931  ? 147 A 1 c
ATOM 1822 H HA   . ASP Axp A    113 ? 155.425 132.272 165.174 1   53.073  ? 147 A 1 c
ATOM 1823 H HB3  . ASP Axp A    113 ? 154.703 134.288 164.143 1   56.939  ? 147 A 1 c
ATOM 1824 H HB2  . ASP Axp A    113 ? 153.366 134.208 164.997 1   57.047  ? 147 A 1 c
ATOM 1825 N N    . LEU Axp A    114 ? 154.906 134.486 167.459 1   47.283  ? 148 A 1 .
ATOM 1826 C CA   . LEU Axp A    114 ? 155.613 135.403 168.336 1   46.773  ? 148 A 1 .
ATOM 1827 C C    . LEU Axp A    114 ? 156.779 134.744 169.064 1   47.022  ? 148 A 1 .
ATOM 1828 O O    . LEU Axp A    114 ? 157.89  135.234 168.93  1   44.795  ? 148 A 1 .
ATOM 1829 C CB   . LEU Axp A    114 ? 154.677 136.11  169.303 1   46.951  ? 148 A 1 .
ATOM 1830 C CG   . LEU Axp A    114 ? 153.817 137.18  168.633 1   49.062  ? 148 A 1 .
ATOM 1831 C CD1  . LEU Axp A    114 ? 152.958 137.932 169.613 1   52.298  ? 148 A 1 .
ATOM 1832 C CD2  . LEU Axp A    114 ? 154.677 138.157 167.876 1   48.567  ? 148 A 1 .
ATOM 1833 H H    . LEU Axp A    114 ? 153.999 134.401 167.535 1   47.704  ? 148 A 1 c
ATOM 1834 H HA   . LEU Axp A    114 ? 156.016 136.09  167.75  1   46.979  ? 148 A 1 c
ATOM 1835 H HB3  . LEU Axp A    114 ? 155.218 136.536 170.008 1   47.397  ? 148 A 1 c
ATOM 1836 H HB2  . LEU Axp A    114 ? 154.086 135.441 169.718 1   47.477  ? 148 A 1 c
ATOM 1837 H HG   . LEU Axp A    114 ? 153.22  136.73  167.985 1   49.338  ? 148 A 1 c
ATOM 1838 H HD11 . LEU Axp A    114 ? 152.77  137.366 170.379 1   51.255  ? 148 A 1 c
ATOM 1839 H HD12 . LEU Axp A    114 ? 152.123 138.186 169.186 1   51.273  ? 148 A 1 c
ATOM 1840 H HD13 . LEU Axp A    114 ? 153.425 138.73  169.911 1   51.166  ? 148 A 1 c
ATOM 1841 H HD21 . LEU Axp A    114 ? 154.863 137.808 166.989 1   48.692  ? 148 A 1 c
ATOM 1842 H HD22 . LEU Axp A    114 ? 155.513 138.293 168.353 1   48.685  ? 148 A 1 c
ATOM 1843 H HD23 . LEU Axp A    114 ? 154.211 139.007 167.795 1   48.74   ? 148 A 1 c
ATOM 1844 N N    . GLU Axp A    115 ? 156.571 133.665 169.824 1   53.705  ? 149 A 1 .
ATOM 1845 C CA   . GLU Axp A    115 ? 157.668 133.142 170.635 1   67.836  ? 149 A 1 .
ATOM 1846 C C    . GLU Axp A    115 ? 158.868 132.794 169.75  1   64.572  ? 149 A 1 .
ATOM 1847 O O    . GLU Axp A    115 ? 160.009 133.14  170.079 1   67.155  ? 149 A 1 .
ATOM 1848 C CB   . GLU Axp A    115 ? 157.358 131.934 171.519 1   73.988  ? 149 A 1 .
ATOM 1849 C CG   . GLU Axp A    115 ? 156.21  132.177 172.492 1   73.779  ? 149 A 1 .
ATOM 1850 C CD   . GLU Axp A    115 ? 154.851 131.942 171.86  1   79.217  ? 149 A 1 .
ATOM 1851 O OE1  . GLU Axp A    115 ? 154.79  131.696 170.624 1   72.407  ? 149 A 1 .
ATOM 1852 O OE2  . GLU Axp A    115 ? 153.856 131.981 172.629 1   89.472  ? 149 A 1 .
ATOM 1853 H H    . GLU Axp A    115 ? 155.758 133.248 169.831 1   54.943  ? 149 A 1 c
ATOM 1854 H HA   . GLU Axp A    115 ? 157.953 133.869 171.245 1   65.048  ? 149 A 1 c
ATOM 1855 H HB3  . GLU Axp A    115 ? 158.16  131.71  172.035 1   72.456  ? 149 A 1 c
ATOM 1856 H HB2  . GLU Axp A    115 ? 157.15  131.167 170.946 1   72.519  ? 149 A 1 c
ATOM 1857 H HG3  . GLU Axp A    115 ? 156.251 133.102 172.818 1   75.039  ? 149 A 1 c
ATOM 1858 H HG2  . GLU Axp A    115 ? 156.308 131.579 173.264 1   75.039  ? 149 A 1 c
ATOM 1859 N N    . THR Axp A    116 ? 158.601 132.134 168.616 1   56.317  ? 150 A 1 .
ATOM 1860 C CA   . THR Axp A    116 ? 159.679 131.785 167.702 1   53.942  ? 150 A 1 .
ATOM 1861 C C    . THR Axp A    116 ? 160.334 133.097 167.243 1   52.998  ? 150 A 1 .
ATOM 1862 O O    . THR Axp A    116 ? 161.535 133.327 167.421 1   58.254  ? 150 A 1 .
ATOM 1863 C CB   . THR Axp A    116 ? 159.219 130.914 166.522 1   44.286  ? 150 A 1 .
ATOM 1864 O OG1  . THR Axp A    116 ? 158.836 131.824 165.513 1   38.093  ? 150 A 1 .
ATOM 1865 C CG2  . THR Axp A    116 ? 158.075 129.956 166.817 1   41.952  ? 150 A 1 .
ATOM 1866 H H    . THR Axp A    116 ? 157.74  131.911 168.405 1   57.305  ? 150 A 1 c
ATOM 1867 H HA   . THR Axp A    116 ? 160.339 131.274 168.206 1   52.593  ? 150 A 1 c
ATOM 1868 H HB   . THR Axp A    116 ? 159.987 130.385 166.2   1   44.128  ? 150 A 1 c
ATOM 1869 H HG1  . THR Axp A    116 ? 158.03  132.35  165.859 0   36.69   ? 150 A 1 c
ATOM 1870 H HG21 . THR Axp A    116 ? 158.216 129.126 166.331 1   42.697  ? 150 A 1 c
ATOM 1871 H HG22 . THR Axp A    116 ? 157.237 130.355 166.534 1   42.749  ? 150 A 1 c
ATOM 1872 H HG23 . THR Axp A    116 ? 158.042 129.768 167.77  1   42.866  ? 150 A 1 c
ATOM 1873 N N    . LEU Axp A    117 ? 159.501 133.996 166.722 1   46.027  ? 151 A 1 .
ATOM 1874 C CA   . LEU Axp A    117 ? 159.951 135.286 166.231 1   42.548  ? 151 A 1 .
ATOM 1875 C C    . LEU Axp A    117 ? 160.873 135.907 167.273 1   39.482  ? 151 A 1 .
ATOM 1876 O O    . LEU Axp A    117 ? 161.883 136.526 166.952 1   38.036  ? 151 A 1 .
ATOM 1877 C CB   . LEU Axp A    117 ? 158.726 136.156 165.916 1   40.376  ? 151 A 1 .
ATOM 1878 C CG   . LEU Axp A    117 ? 158.95  137.484 165.179 1   38.911  ? 151 A 1 .
ATOM 1879 C CD1  . LEU Axp A    117 ? 159.481 138.593 166.072 1   40.613  ? 151 A 1 .
ATOM 1880 C CD2  . LEU Axp A    117 ? 159.894 137.288 164.006 1   39.41   ? 151 A 1 .
ATOM 1881 H H    . LEU Axp A    117 ? 158.611 133.794 166.666 1   46.764  ? 151 A 1 c
ATOM 1882 H HA   . LEU Axp A    117 ? 160.469 135.135 165.4   1   42.185  ? 151 A 1 c
ATOM 1883 H HB3  . LEU Axp A    117 ? 158.266 136.352 166.764 1   40.563  ? 151 A 1 c
ATOM 1884 H HB2  . LEU Axp A    117 ? 158.104 135.615 165.377 1   40.65   ? 151 A 1 c
ATOM 1885 H HG   . LEU Axp A    117 ? 158.077 137.782 164.816 1   39.585  ? 151 A 1 c
ATOM 1886 H HD11 . LEU Axp A    117 ? 159.565 138.263 166.98  1   39.855  ? 151 A 1 c
ATOM 1887 H HD12 . LEU Axp A    117 ? 158.864 139.344 166.058 1   40.041  ? 151 A 1 c
ATOM 1888 H HD13 . LEU Axp A    117 ? 160.352 138.885 165.754 1   40.035  ? 151 A 1 c
ATOM 1889 H HD21 . LEU Axp A    117 ? 159.642 136.486 163.517 1   39.279  ? 151 A 1 c
ATOM 1890 H HD22 . LEU Axp A    117 ? 160.805 137.195 164.331 1   39.311  ? 151 A 1 c
ATOM 1891 H HD23 . LEU Axp A    117 ? 159.839 138.056 163.413 1   39.274  ? 151 A 1 c
ATOM 1892 N N    . ALA Axp A    118 ? 160.493 135.738 168.532 1   37.96   ? 152 A 1 .
ATOM 1893 C CA   . ALA Axp A    118 ? 161.206 136.366 169.616 1   40.68   ? 152 A 1 .
ATOM 1894 C C    . ALA Axp A    118 ? 162.456 135.571 169.951 1   43.026  ? 152 A 1 .
ATOM 1895 O O    . ALA Axp A    118 ? 163.53  136.162 170.069 1   46.763  ? 152 A 1 .
ATOM 1896 C CB   . ALA Axp A    118 ? 160.296 136.487 170.799 1   43.314  ? 152 A 1 .
ATOM 1897 H H    . ALA Axp A    118 ? 159.752 135.238 168.721 1   39.237  ? 152 A 1 c
ATOM 1898 H HA   . ALA Axp A    118 ? 161.484 137.278 169.325 1   40.948  ? 152 A 1 c
ATOM 1899 H HB3  . ALA Axp A    118 ? 160.823 136.569 171.611 1   42.506  ? 152 A 1 c
ATOM 1900 H HB2  . ALA Axp A    118 ? 159.733 135.697 170.864 1   42.549  ? 152 A 1 c
ATOM 1901 H HB1  . ALA Axp A    118 ? 159.734 137.274 170.7   1   42.433  ? 152 A 1 c
ATOM 1902 N N    . LYS Axp A    119 ? 162.305 134.249 170.097 1   46.922  ? 153 A 1 .
ATOM 1903 C CA   . LYS Axp A    119 ? 163.418 133.404 170.513 1   61.305  ? 153 A 1 .
ATOM 1904 C C    . LYS Axp A    119 ? 164.524 133.373 169.455 1   69.425  ? 153 A 1 .
ATOM 1905 O O    . LYS Axp A    119 ? 165.685 133.009 169.735 1   66.927  ? 153 A 1 .
ATOM 1906 C CB   . LYS Axp A    119 ? 162.971 131.968 170.784 1   61.174  ? 153 A 1 .
ATOM 1907 C CG   . LYS Axp A    119 ? 162.713 131.117 169.57  1   57.163  ? 153 A 1 .
ATOM 1908 C CD   . LYS Axp A    119 ? 162.387 129.691 169.979 1   62.724  ? 153 A 1 .
ATOM 1909 C CE   . LYS Axp A    119 ? 161.967 128.821 168.851 1   72.432  ? 153 A 1 .
ATOM 1910 N NZ   . LYS Axp A    119 ? 161.257 127.642 169.345 1   81.499  ? 153 A 1 .
ATOM 1911 H H    . LYS Axp A    119 ? 161.492 133.864 169.938 1   48.827  ? 153 A 1 c
ATOM 1912 H HA   . LYS Axp A    119 ? 163.794 133.779 171.35  1   59.312  ? 153 A 1 c
ATOM 1913 H HB3  . LYS Axp A    119 ? 162.149 131.996 171.319 1   60.248  ? 153 A 1 c
ATOM 1914 H HB2  . LYS Axp A    119 ? 163.659 131.527 171.326 1   60.248  ? 153 A 1 c
ATOM 1915 H HG3  . LYS Axp A    119 ? 163.51  131.117 168.998 1   59.338  ? 153 A 1 c
ATOM 1916 H HG2  . LYS Axp A    119 ? 161.966 131.495 169.068 1   59.184  ? 153 A 1 c
ATOM 1917 H HD3  . LYS Axp A    119 ? 161.669 129.712 170.648 1   63.698  ? 153 A 1 c
ATOM 1918 H HD2  . LYS Axp A    119 ? 163.179 129.297 170.405 1   63.552  ? 153 A 1 c
ATOM 1919 H HE3  . LYS Axp A    119 ? 162.751 128.534 168.35  1   72      ? 153 A 1 c
ATOM 1920 H HE2  . LYS Axp A    119 ? 161.384 129.316 168.249 1   71.798  ? 153 A 1 c
ATOM 1921 H HZ1  . LYS Axp A    119 ? 160.47  127.891 169.718 1   78.456  ? 153 A 1 c
ATOM 1922 H HZ2  . LYS Axp A    119 ? 161.76  127.217 169.968 1   78.462  ? 153 A 1 c
ATOM 1923 H HZ3  . LYS Axp A    119 ? 161.093 127.074 168.659 1   78.542  ? 153 A 1 c
ATOM 1924 N N    . GLU Axp A    120 ? 164.13  133.774 168.24  1   66.669  ? 154 A 1 .
ATOM 1925 C CA   . GLU Axp A    120 ? 165.035 133.826 167.113 1   60.006  ? 154 A 1 .
ATOM 1926 C C    . GLU Axp A    120 ? 165.462 135.268 166.831 1   53.66   ? 154 A 1 .
ATOM 1927 O O    . GLU Axp A    120 ? 165.783 135.564 165.695 1   69.28   ? 154 A 1 .
ATOM 1928 C CB   . GLU Axp A    120 ? 164.312 133.252 165.888 1   60.603  ? 154 A 1 .
ATOM 1929 C CG   . GLU Axp A    120 ? 163.949 131.767 165.939 1   59.663  ? 154 A 1 .
ATOM 1930 C CD   . GLU Axp A    120 ? 165.125 130.825 165.865 1   63.749  ? 154 A 1 .
ATOM 1931 O OE1  . GLU Axp A    120 ? 166.127 131.308 165.334 1   67.819  ? 154 A 1 .
ATOM 1932 O OE2  . GLU Axp A    120 ? 165.087 129.674 166.351 1   70.399  ? 154 A 1 .
ATOM 1933 H H    . GLU Axp A    120 ? 163.256 134     168.103 1   65.236  ? 154 A 1 c
ATOM 1934 H HA   . GLU Axp A    120 ? 165.837 133.281 167.315 1   60.233  ? 154 A 1 c
ATOM 1935 H HB3  . GLU Axp A    120 ? 164.875 133.394 165.099 1   60.313  ? 154 A 1 c
ATOM 1936 H HB2  . GLU Axp A    120 ? 163.485 133.759 165.753 1   60.282  ? 154 A 1 c
ATOM 1937 H HG3  . GLU Axp A    120 ? 163.343 131.564 165.194 1   60.8    ? 154 A 1 c
ATOM 1938 H HG2  . GLU Axp A    120 ? 163.46  131.588 166.77  1   60.803  ? 154 A 1 c
ATOM 1939 N N    . ALA Axp A    121 ? 165.481 136.188 167.801 1   46.273  ? 155 A 1 .
ATOM 1940 C CA   . ALA Axp A    121 ? 165.852 137.553 167.458 1   44.785  ? 155 A 1 .
ATOM 1941 C C    . ALA Axp A    121 ? 166.56  138.28  168.6   1   50.486  ? 155 A 1 .
ATOM 1942 O O    . ALA Axp A    121 ? 166.019 138.365 169.699 1   57.378  ? 155 A 1 .
ATOM 1943 C CB   . ALA Axp A    121 ? 164.614 138.291 167.024 1   43.043  ? 155 A 1 .
ATOM 1944 H H    . ALA Axp A    121 ? 165.273 135.975 168.664 1   47.822  ? 155 A 1 c
ATOM 1945 H HA   . ALA Axp A    121 ? 166.483 137.516 166.688 1   46.008  ? 155 A 1 c
ATOM 1946 H HB3  . ALA Axp A    121 ? 164.864 139.056 166.479 1   43.633  ? 155 A 1 c
ATOM 1947 H HB2  . ALA Axp A    121 ? 164.127 138.601 167.806 1   43.7    ? 155 A 1 c
ATOM 1948 H HB1  . ALA Axp A    121 ? 164.045 137.701 166.506 1   43.754  ? 155 A 1 c
ATOM 1949 N N    . SER Axp A    122 ? 167.714 138.907 168.296 1   53.766  ? 156 A 1 .
ATOM 1950 C CA   . SER Axp A    122 ? 168.492 139.694 169.255 1   61.884  ? 156 A 1 .
ATOM 1951 C C    . SER Axp A    122 ? 167.838 141.043 169.569 1   59.716  ? 156 A 1 .
ATOM 1952 O O    . SER Axp A    122 ? 168.497 142     170.024 1   51.856  ? 156 A 1 .
ATOM 1953 C CB   . SER Axp A    122 ? 169.897 139.903 168.76  1   67.82   ? 156 A 1 .
ATOM 1954 O OG   . SER Axp A    122 ? 169.964 140.856 167.709 1   65.199  ? 156 A 1 .
ATOM 1955 H H    . SER Axp A    122 ? 168.031 138.84  167.442 1   54.594  ? 156 A 1 c
ATOM 1956 H HA   . SER Axp A    122 ? 168.539 139.177 170.1   1   60.783  ? 156 A 1 c
ATOM 1957 H HB3  . SER Axp A    122 ? 170.256 139.051 168.447 1   65.786  ? 156 A 1 c
ATOM 1958 H HB2  . SER Axp A    122 ? 170.447 140.207 169.505 1   65.717  ? 156 A 1 c
ATOM 1959 H HG   . SER Axp A    122 ? 170.814 140.661 167.644 0   34.86   ? 156 A 1 c
ATOM 1960 N N    . ILE Axp A    123 ? 166.523 141.06  169.323 1   60.229  ? 157 A 1 .
ATOM 1961 C CA   . ILE Axp A    123 ? 165.693 142.243 169.374 1   59.696  ? 157 A 1 .
ATOM 1962 C C    . ILE Axp A    123 ? 164.473 141.925 170.228 1   54.958  ? 157 A 1 .
ATOM 1963 O O    . ILE Axp A    123 ? 163.858 140.87  170.115 1   61.423  ? 157 A 1 .
ATOM 1964 C CB   . ILE Axp A    123 ? 165.337 142.739 167.95  1   62.692  ? 157 A 1 .
ATOM 1965 C CG1  . ILE Axp A    123 ? 166.384 143.704 167.468 1   78.69   ? 157 A 1 .
ATOM 1966 C CG2  . ILE Axp A    123 ? 163.966 143.404 167.861 1   63.879  ? 157 A 1 .
ATOM 1967 C CD1  . ILE Axp A    123 ? 166.935 144.603 168.568 1   96.754  ? 157 A 1 .
ATOM 1968 H H    . ILE Axp A    123 ? 166.11  140.271 169.126 1   59.811  ? 157 A 1 c
ATOM 1969 H HA   . ILE Axp A    123 ? 166.198 142.935 169.825 1   59.847  ? 157 A 1 c
ATOM 1970 H HB   . ILE Axp A    123 ? 165.34  141.966 167.351 1   65.089  ? 157 A 1 c
ATOM 1971 H HG12 . ILE Axp A    123 ? 166.004 144.263 166.76  1   77.97   ? 157 A 1 c
ATOM 1972 H HG13 . ILE Axp A    123 ? 167.125 143.194 167.083 1   77.898  ? 157 A 1 c
ATOM 1973 H HG21 . ILE Axp A    123 ? 163.915 143.948 167.057 1   63.54   ? 157 A 1 c
ATOM 1974 H HG22 . ILE Axp A    123 ? 163.826 143.965 168.637 1   62.837  ? 157 A 1 c
ATOM 1975 H HG23 . ILE Axp A    123 ? 163.274 142.722 167.828 1   63.355  ? 157 A 1 c
ATOM 1976 H HD11 . ILE Axp A    123 ? 166.209 144.949 169.114 1   88.557  ? 157 A 1 c
ATOM 1977 H HD12 . ILE Axp A    123 ? 167.405 145.35  168.152 1   89.5    ? 157 A 1 c
ATOM 1978 H HD13 . ILE Axp A    123 ? 167.561 144.112 169.13  1   89.471  ? 157 A 1 c
ATOM 1979 N N    . PRO Axp A    124 ? 164.044 142.868 171.081 1   47.37   ? 158 A 1 .
ATOM 1980 C CA   . PRO Axp A    124 ? 162.82  142.68  171.852 1   43.69   ? 158 A 1 .
ATOM 1981 C C    . PRO Axp A    124 ? 161.573 142.68  170.973 1   36.667  ? 158 A 1 .
ATOM 1982 O O    . PRO Axp A    124 ? 161.378 143.583 170.167 1   35.454  ? 158 A 1 .
ATOM 1983 C CB   . PRO Axp A    124 ? 162.821 143.876 172.8   1   49.766  ? 158 A 1 .
ATOM 1984 C CG   . PRO Axp A    124 ? 163.55  144.925 171.939 1   53.401  ? 158 A 1 .
ATOM 1985 C CD   . PRO Axp A    124 ? 164.666 144.187 171.269 1   49.373  ? 158 A 1 .
ATOM 1986 H HA   . PRO Axp A    124 ? 162.874 141.847 172.358 1   43.924  ? 158 A 1 c
ATOM 1987 H HB3  . PRO Axp A    124 ? 163.316 143.68  173.619 1   49.074  ? 158 A 1 c
ATOM 1988 H HB2  . PRO Axp A    124 ? 161.912 144.162 173.017 1   49.007  ? 158 A 1 c
ATOM 1989 H HG3  . PRO Axp A    124 ? 163.903 145.646 172.497 1   51.597  ? 158 A 1 c
ATOM 1990 H HG2  . PRO Axp A    124 ? 162.946 145.309 171.275 1   51.46   ? 158 A 1 c
ATOM 1991 H HD3  . PRO Axp A    124 ? 164.898 144.595 170.419 1   50.421  ? 158 A 1 c
ATOM 1992 H HD2  . PRO Axp A    124 ? 165.459 144.128 171.837 1   49.898  ? 158 A 1 c
ATOM 1993 N N    . VAL Axp A    125 ? 160.727 141.664 171.095 1   31.901  ? 159 A 1 .
ATOM 1994 C CA   . VAL Axp A    125 ? 159.572 141.624 170.229 1   30.871  ? 159 A 1 .
ATOM 1995 C C    . VAL Axp A    125 ? 158.287 141.886 171.011 1   30.217  ? 159 A 1 .
ATOM 1996 O O    . VAL Axp A    125 ? 158.105 141.381 172.101 1   31.074  ? 159 A 1 .
ATOM 1997 C CB   . VAL Axp A    125 ? 159.597 140.283 169.486 1   31.076  ? 159 A 1 .
ATOM 1998 C CG1  . VAL Axp A    125 ? 158.247 140     168.861 1   33.176  ? 159 A 1 .
ATOM 1999 C CG2  . VAL Axp A    125 ? 160.713 140.241 168.437 1   29.777  ? 159 A 1 .
ATOM 2000 H H    . VAL Axp A    125 ? 160.908 140.958 171.642 1   33.159  ? 159 A 1 c
ATOM 2001 H HA   . VAL Axp A    125 ? 159.667 142.331 169.564 1   31.073  ? 159 A 1 c
ATOM 2002 H HB   . VAL Axp A    125 ? 159.778 139.581 170.154 1   31.252  ? 159 A 1 c
ATOM 2003 H HG11 . VAL Axp A    125 ? 158.064 140.659 168.17  1   32.542  ? 159 A 1 c
ATOM 2004 H HG12 . VAL Axp A    125 ? 157.555 140.044 169.541 1   32.543  ? 159 A 1 c
ATOM 2005 H HG13 . VAL Axp A    125 ? 158.251 139.113 168.468 1   32.624  ? 159 A 1 c
ATOM 2006 H HG21 . VAL Axp A    125 ? 161     139.323 168.304 1   30.357  ? 159 A 1 c
ATOM 2007 H HG22 . VAL Axp A    125 ? 161.467 140.772 168.743 1   30.252  ? 159 A 1 c
ATOM 2008 H HG23 . VAL Axp A    125 ? 160.384 140.603 167.598 1   30.284  ? 159 A 1 c
ATOM 2009 N N    . ILE Axp A    126 ? 157.377 142.671 170.418 1   32.396  ? 160 A 1 .
ATOM 2010 C CA   . ILE Axp A    126 ? 156.19  143.148 171.11  1   32.942  ? 160 A 1 .
ATOM 2011 C C    . ILE Axp A    126 ? 154.93  142.597 170.481 1   33.317  ? 160 A 1 .
ATOM 2012 O O    . ILE Axp A    126 ? 154.71  142.726 169.271 1   30.737  ? 160 A 1 .
ATOM 2013 C CB   . ILE Axp A    126 ? 156.064 144.675 171.11  1   34.169  ? 160 A 1 .
ATOM 2014 C CG1  . ILE Axp A    126 ? 157.355 145.323 171.413 1   36.023  ? 160 A 1 .
ATOM 2015 C CG2  . ILE Axp A    126 ? 154.983 145.097 172.103 1   34.708  ? 160 A 1 .
ATOM 2016 C CD1  . ILE Axp A    126 ? 157.952 144.783 172.694 1   39.643  ? 160 A 1 .
ATOM 2017 H H    . ILE Axp A    126 ? 157.501 142.915 169.546 1   31.968  ? 160 A 1 c
ATOM 2018 H HA   . ILE Axp A    126 ? 156.23  142.844 172.033 1   33.219  ? 160 A 1 c
ATOM 2019 H HB   . ILE Axp A    126 ? 155.792 144.955 170.22  1   34.354  ? 160 A 1 c
ATOM 2020 H HG12 . ILE Axp A    126 ? 157.22  146.287 171.504 1   36.196  ? 160 A 1 c
ATOM 2021 H HG13 . ILE Axp A    126 ? 157.979 145.168 170.674 1   36.303  ? 160 A 1 c
ATOM 2022 H HG21 . ILE Axp A    126 ? 155.075 146.044 172.303 1   34.569  ? 160 A 1 c
ATOM 2023 H HG22 . ILE Axp A    126 ? 155.074 144.585 172.924 1   34.555  ? 160 A 1 c
ATOM 2024 H HG23 . ILE Axp A    126 ? 154.105 144.936 171.718 1   34.552  ? 160 A 1 c
ATOM 2025 H HD11 . ILE Axp A    126 ? 157.769 145.42  173.41  1   38.295  ? 160 A 1 c
ATOM 2026 H HD12 . ILE Axp A    126 ? 158.917 144.692 172.582 1   38.347  ? 160 A 1 c
ATOM 2027 H HD13 . ILE Axp A    126 ? 157.575 143.918 172.934 1   38.298  ? 160 A 1 c
ATOM 2028 N N    . ASN Axp A    127 ? 154.067 142.127 171.38  1   34.167  ? 161 A 1 .
ATOM 2029 C CA   . ASN Axp A    127 ? 152.776 141.619 170.991 1   37.876  ? 161 A 1 .
ATOM 2030 C C    . ASN Axp A    127 ? 151.891 142.785 170.606 1   40.008  ? 161 A 1 .
ATOM 2031 O O    . ASN Axp A    127 ? 151.215 143.348 171.449 1   40.947  ? 161 A 1 .
ATOM 2032 C CB   . ASN Axp A    127 ? 152.138 140.808 172.103 1   41.025  ? 161 A 1 .
ATOM 2033 C CG   . ASN Axp A    127 ? 150.842 140.18  171.653 1   45.327  ? 161 A 1 .
ATOM 2034 O OD1  . ASN Axp A    127 ? 150.228 140.612 170.664 1   42.257  ? 161 A 1 .
ATOM 2035 N ND2  . ASN Axp A    127 ? 150.441 139.139 172.37  1   49.382  ? 161 A 1 .
ATOM 2036 H H    . ASN Axp A    127 ? 154.291 142.126 172.267 1   34.779  ? 161 A 1 c
ATOM 2037 H HA   . ASN Axp A    127 ? 152.89  141.027 170.213 1   38.187  ? 161 A 1 c
ATOM 2038 H HB3  . ASN Axp A    127 ? 151.968 141.387 172.872 1   41.306  ? 161 A 1 c
ATOM 2039 H HB2  . ASN Axp A    127 ? 152.754 140.104 172.382 1   41.21   ? 161 A 1 c
ATOM 2040 H HD21 . ASN Axp A    127 ? 150.078 138.437 171.966 1   48.095  ? 161 A 1 c
ATOM 2041 H HD22 . ASN Axp A    127 ? 150.535 139.145 173.252 1   48.088  ? 161 A 1 c
ATOM 2042 N N    . GLY Axp A    128 ? 151.884 143.117 169.318 1   47.311  ? 162 A 1 .
ATOM 2043 C CA   . GLY Axp A    128 ? 151.029 144.178 168.806 1   48.505  ? 162 A 1 .
ATOM 2044 C C    . GLY Axp A    128 ? 149.569 143.747 168.772 1   47.151  ? 162 A 1 .
ATOM 2045 O O    . GLY Axp A    128 ? 148.676 144.57  168.532 1   43.866  ? 162 A 1 .
ATOM 2046 H H    . GLY Axp A    128 ? 152.432 142.674 168.736 1   45.536  ? 162 A 1 c
ATOM 2047 H HA3  . GLY Axp A    128 ? 151.323 144.422 167.898 1   47.747  ? 162 A 1 c
ATOM 2048 H HA2  . GLY Axp A    128 ? 151.119 144.972 169.38  1   47.612  ? 162 A 1 c
ATOM 2049 N N    . LEU Axp A    129 ? 149.37  142.445 169.011 1   46.348  ? 163 A 1 .
ATOM 2050 C CA   . LEU Axp A    129 ? 148.045 141.876 169.138 1   50.544  ? 163 A 1 .
ATOM 2051 C C    . LEU Axp A    129 ? 148.07  140.475 168.55  1   47.907  ? 163 A 1 .
ATOM 2052 O O    . LEU Axp A    129 ? 148.202 140.319 167.349 1   50.823  ? 163 A 1 .
ATOM 2053 C CB   . LEU Axp A    129 ? 147.017 142.754 168.422 1   53.758  ? 163 A 1 .
ATOM 2054 C CG   . LEU Axp A    129 ? 145.538 142.374 168.563 1   53.276  ? 163 A 1 .
ATOM 2055 C CD1  . LEU Axp A    129 ? 144.85  143.281 167.541 1   59.097  ? 163 A 1 .
ATOM 2056 C CD2  . LEU Axp A    129 ? 145.146 140.91  168.37  1   50.102  ? 163 A 1 .
ATOM 2057 H H    . LEU Axp A    129 ? 150.089 141.885 169.072 1   47.419  ? 163 A 1 c
ATOM 2058 H HA   . LEU Axp A    129 ? 147.817 141.823 170.101 1   49.751  ? 163 A 1 c
ATOM 2059 H HB3  . LEU Axp A    129 ? 147.239 142.758 167.466 1   53.113  ? 163 A 1 c
ATOM 2060 H HB2  . LEU Axp A    129 ? 147.114 143.673 168.756 1   52.875  ? 163 A 1 c
ATOM 2061 H HG   . LEU Axp A    129 ? 145.236 142.651 169.466 1   53.758  ? 163 A 1 c
ATOM 2062 H HD11 . LEU Axp A    129 ? 145.103 144.206 167.703 1   57.263  ? 163 A 1 c
ATOM 2063 H HD12 . LEU Axp A    129 ? 143.886 143.192 167.625 1   57.303  ? 163 A 1 c
ATOM 2064 H HD13 . LEU Axp A    129 ? 145.12  143.025 166.643 1   57.28   ? 163 A 1 c
ATOM 2065 H HD21 . LEU Axp A    129 ? 145.398 140.403 169.158 1   51.024  ? 163 A 1 c
ATOM 2066 H HD22 . LEU Axp A    129 ? 145.599 140.549 167.59  1   50.998  ? 163 A 1 c
ATOM 2067 H HD23 . LEU Axp A    129 ? 144.185 140.847 168.242 1   51.014  ? 163 A 1 c
ATOM 2068 N N    . SER Axp A    130 ? 147.855 139.471 169.393 1   48.763  ? 164 A 1 .
ATOM 2069 C CA   . SER Axp A    130 ? 147.752 138.098 168.942 1   51.348  ? 164 A 1 .
ATOM 2070 C C    . SER Axp A    130 ? 146.341 137.56  169.179 1   51.848  ? 164 A 1 .
ATOM 2071 O O    . SER Axp A    130 ? 145.48  138.22  169.729 1   56.792  ? 164 A 1 .
ATOM 2072 C CB   . SER Axp A    130 ? 148.787 137.25  169.633 1   53.551  ? 164 A 1 .
ATOM 2073 O OG   . SER Axp A    130 ? 148.502 137.114 171.017 1   52.669  ? 164 A 1 .
ATOM 2074 H H    . SER Axp A    130 ? 147.772 139.645 170.287 1   49.145  ? 164 A 1 c
ATOM 2075 H HA   . SER Axp A    130 ? 147.93  138.074 167.972 1   51.374  ? 164 A 1 c
ATOM 2076 H HB3  . SER Axp A    130 ? 149.665 137.662 169.523 1   52.836  ? 164 A 1 c
ATOM 2077 H HB2  . SER Axp A    130 ? 148.812 136.368 169.218 1   52.848  ? 164 A 1 c
ATOM 2078 H HG   . SER Axp A    130 ? 149.104 136.635 171.367 0   38.41   ? 164 A 1 c
ATOM 2079 N N    . ASP Axp A    131 ? 146.123 136.328 168.755 1   54.306  ? 165 A 1 .
ATOM 2080 C CA   . ASP Axp A    131 ? 144.881 135.62  168.952 1   54.247  ? 165 A 1 .
ATOM 2081 C C    . ASP Axp A    131 ? 144.661 135.364 170.44  1   49.418  ? 165 A 1 .
ATOM 2082 O O    . ASP Axp A    131 ? 143.536 135.13  170.865 1   50.387  ? 165 A 1 .
ATOM 2083 C CB   . ASP Axp A    131 ? 144.973 134.309 168.192 1   65.662  ? 165 A 1 .
ATOM 2084 C CG   . ASP Axp A    131 ? 146.195 133.455 168.548 1   81.013  ? 165 A 1 .
ATOM 2085 O OD1  . ASP Axp A    131 ? 147.327 133.991 168.625 1   84.444  ? 165 A 1 .
ATOM 2086 O OD2  . ASP Axp A    131 ? 146.042 132.231 168.708 1   95.637  ? 165 A 1 .
ATOM 2087 H H    . ASP Axp A    131 ? 146.79  135.908 168.294 1   53.901  ? 165 A 1 c
ATOM 2088 H HA   . ASP Axp A    131 ? 144.142 136.165 168.599 1   55.246  ? 165 A 1 c
ATOM 2089 H HB3  . ASP Axp A    131 ? 144.982 134.501 167.233 1   65.996  ? 165 A 1 c
ATOM 2090 H HB2  . ASP Axp A    131 ? 144.169 133.782 168.383 1   65.99   ? 165 A 1 c
ATOM 2091 N N    . LEU Axp A    132 ? 145.744 135.342 171.224 1   47.611  ? 166 A 1 .
ATOM 2092 C CA   . LEU Axp A    132 ? 145.674 134.881 172.602 1   49.629  ? 166 A 1 .
ATOM 2093 C C    . LEU Axp A    132 ? 145.753 136.03  173.596 1   48.526  ? 166 A 1 .
ATOM 2094 O O    . LEU Axp A    132 ? 145.367 135.851 174.747 1   47.15   ? 166 A 1 .
ATOM 2095 C CB   . LEU Axp A    132 ? 146.793 133.899 172.938 1   50.672  ? 166 A 1 .
ATOM 2096 C CG   . LEU Axp A    132 ? 146.541 132.417 172.662 1   53.233  ? 166 A 1 .
ATOM 2097 C CD1  . LEU Axp A    132 ? 147.25  131.653 173.801 1   48.773  ? 166 A 1 .
ATOM 2098 C CD2  . LEU Axp A    132 ? 145.054 132.014 172.505 1   56.315  ? 166 A 1 .
ATOM 2099 H H    . LEU Axp A    132 ? 146.554 135.595 170.887 1   48.609  ? 166 A 1 c
ATOM 2100 H HA   . LEU Axp A    132 ? 144.803 134.434 172.733 1   49.337  ? 166 A 1 c
ATOM 2101 H HB3  . LEU Axp A    132 ? 147.004 133.998 173.893 1   50.947  ? 166 A 1 c
ATOM 2102 H HB2  . LEU Axp A    132 ? 147.594 134.173 172.438 1   51.041  ? 166 A 1 c
ATOM 2103 H HG   . LEU Axp A    132 ? 147.003 132.184 171.815 1   52.44   ? 166 A 1 c
ATOM 2104 H HD11 . LEU Axp A    132 ? 148.169 131.962 173.878 1   50.043  ? 166 A 1 c
ATOM 2105 H HD12 . LEU Axp A    132 ? 147.246 130.701 173.605 1   50.036  ? 166 A 1 c
ATOM 2106 H HD13 . LEU Axp A    132 ? 146.784 131.812 174.639 1   50.04   ? 166 A 1 c
ATOM 2107 H HD21 . LEU Axp A    132 ? 144.689 132.418 171.7   1   55.306  ? 166 A 1 c
ATOM 2108 H HD22 . LEU Axp A    132 ? 144.551 132.317 173.279 1   55.305  ? 166 A 1 c
ATOM 2109 H HD23 . LEU Axp A    132 ? 144.987 131.046 172.437 1   55.365  ? 166 A 1 c
ATOM 2110 N N    . TYR Axp A    133 ? 146.33  137.161 173.195 1   47.854  ? 167 A 1 .
ATOM 2111 C CA   . TYR Axp A    133 ? 146.512 138.233 174.149 1   51.668  ? 167 A 1 .
ATOM 2112 C C    . TYR Axp A    133 ? 146.438 139.582 173.463 1   52.268  ? 167 A 1 .
ATOM 2113 O O    . TYR Axp A    133 ? 146.214 139.645 172.266 1   53.781  ? 167 A 1 .
ATOM 2114 C CB   . TYR Axp A    133 ? 147.884 138.065 174.79  1   54.703  ? 167 A 1 .
ATOM 2115 C CG   . TYR Axp A    133 ? 148.075 136.797 175.601 1   54.311  ? 167 A 1 .
ATOM 2116 C CD1  . TYR Axp A    133 ? 147.724 136.744 176.939 1   58.532  ? 167 A 1 .
ATOM 2117 C CD2  . TYR Axp A    133 ? 148.651 135.673 175.038 1   52.146  ? 167 A 1 .
ATOM 2118 C CE1  . TYR Axp A    133 ? 147.924 135.598 177.688 1   57.12   ? 167 A 1 .
ATOM 2119 C CE2  . TYR Axp A    133 ? 148.857 134.522 175.778 1   49.62   ? 167 A 1 .
ATOM 2120 C CZ   . TYR Axp A    133 ? 148.508 134.488 177.113 1   48.1    ? 167 A 1 .
ATOM 2121 O OH   . TYR Axp A    133 ? 148.73  133.391 177.89  1   40.806  ? 167 A 1 .
ATOM 2122 H H    . TYR Axp A    133 ? 146.616 137.268 172.334 1   48.865  ? 167 A 1 c
ATOM 2123 H HA   . TYR Axp A    133 ? 145.809 138.18  174.85  1   51.498  ? 167 A 1 c
ATOM 2124 H HB3  . TYR Axp A    133 ? 148.05  138.834 175.375 1   53.769  ? 167 A 1 c
ATOM 2125 H HB2  . TYR Axp A    133 ? 148.561 138.086 174.078 1   53.81   ? 167 A 1 c
ATOM 2126 H HD1  . TYR Axp A    133 ? 147.337 137.502 177.347 1   57.005  ? 167 A 1 c
ATOM 2127 H HD2  . TYR Axp A    133 ? 148.909 135.691 174.13  1   52.065  ? 167 A 1 c
ATOM 2128 H HE1  . TYR Axp A    133 ? 147.688 135.583 178.597 1   54.986  ? 167 A 1 c
ATOM 2129 H HE2  . TYR Axp A    133 ? 149.262 133.771 175.379 1   49.892  ? 167 A 1 c
ATOM 2130 H HH   . TYR Axp A    133 ? 148.455 133.531 178.686 0   45.45   ? 167 A 1 c
ATOM 2131 N N    . HIS Axp A    134 ? 146.619 140.649 174.247 1   55.051  ? 168 A 1 .
ATOM 2132 C CA   . HIS Axp A    134 ? 146.632 141.99  173.702 1   50.295  ? 168 A 1 .
ATOM 2133 C C    . HIS Axp A    134 ? 147.151 142.958 174.755 1   45.76   ? 168 A 1 .
ATOM 2134 O O    . HIS Axp A    134 ? 146.569 143.989 175.051 1   44.847  ? 168 A 1 .
ATOM 2135 C CB   . HIS Axp A    134 ? 145.229 142.359 173.22  1   51.963  ? 168 A 1 .
ATOM 2136 C CG   . HIS Axp A    134 ? 145.265 143.531 172.334 1   48.62   ? 168 A 1 .
ATOM 2137 N ND1  . HIS Axp A    134 ? 146.443 144.198 172.067 1   47.586  ? 168 A 1 .
ATOM 2138 C CD2  . HIS Axp A    134 ? 144.304 144.139 171.664 1   48.45   ? 168 A 1 .
ATOM 2139 C CE1  . HIS Axp A    134 ? 146.185 145.199 171.245 1   50.531  ? 168 A 1 .
ATOM 2140 N NE2  . HIS Axp A    134 ? 144.89  145.182 170.994 1   54.773  ? 168 A 1 .
ATOM 2141 H H    . HIS Axp A    134 ? 146.705 140.537 175.15  1   53.152  ? 168 A 1 c
ATOM 2142 H HA   . HIS Axp A    134 ? 147.251 142.003 172.932 1   50.579  ? 168 A 1 c
ATOM 2143 H HB3  . HIS Axp A    134 ? 144.663 142.556 173.997 1   50.725  ? 168 A 1 c
ATOM 2144 H HB2  . HIS Axp A    134 ? 144.842 141.6   172.734 1   50.795  ? 168 A 1 c
ATOM 2145 H HD1  . HIS Axp A    134 ? 147.202 144.049 172.383 0   38.59   ? 168 A 1 c
ATOM 2146 H HD2  . HIS Axp A    134 ? 143.395 143.914 171.65  1   49.854  ? 168 A 1 c
ATOM 2147 H HE1  . HIS Axp A    134 ? 146.81  145.816 170.906 1   50.754  ? 168 A 1 c
ATOM 2148 H HE2  . HIS Axp A    134 ? 144.425 145.669 170.345 0   40.2    ? 168 A 1 c
ATOM 2149 N N    . PRO Axp A    135 ? 148.313 142.66  175.329 1   46.324  ? 169 A 1 .
ATOM 2150 C CA   . PRO Axp A    135 ? 148.85  143.394 176.463 1   50.074  ? 169 A 1 .
ATOM 2151 C C    . PRO Axp A    135 ? 148.741 144.92  176.375 1   47.005  ? 169 A 1 .
ATOM 2152 O O    . PRO Axp A    135 ? 148.043 145.548 177.186 1   39.821  ? 169 A 1 .
ATOM 2153 C CB   . PRO Axp A    135 ? 150.296 142.913 176.474 1   50.603  ? 169 A 1 .
ATOM 2154 C CG   . PRO Axp A    135 ? 150.482 142.356 175.075 1   50.616  ? 169 A 1 .
ATOM 2155 C CD   . PRO Axp A    135 ? 149.233 141.639 174.851 1   48.852  ? 169 A 1 .
ATOM 2156 H HA   . PRO Axp A    135 ? 148.403 143.09  177.276 1   48.927  ? 169 A 1 c
ATOM 2157 H HB3  . PRO Axp A    135 ? 150.433 142.217 177.141 1   50.542  ? 169 A 1 c
ATOM 2158 H HB2  . PRO Axp A    135 ? 150.914 143.651 176.644 1   50.425  ? 169 A 1 c
ATOM 2159 H HG3  . PRO Axp A    135 ? 151.246 141.748 175.036 1   50.12   ? 169 A 1 c
ATOM 2160 H HG2  . PRO Axp A    135 ? 150.602 143.068 174.418 1   50.157  ? 169 A 1 c
ATOM 2161 H HD3  . PRO Axp A    135 ? 149.096 141.435 173.907 1   48.698  ? 169 A 1 c
ATOM 2162 H HD2  . PRO Axp A    135 ? 149.175 140.824 175.385 1   48.69   ? 169 A 1 c
ATOM 2163 N N    . ILE Axp A    136 ? 149.467 145.497 175.406 1   45.538  ? 170 A 1 .
ATOM 2164 C CA   . ILE Axp A    136 ? 149.528 146.937 175.204 1   45.9    ? 170 A 1 .
ATOM 2165 C C    . ILE Axp A    136 ? 148.143 147.565 175.316 1   45.348  ? 170 A 1 .
ATOM 2166 O O    . ILE Axp A    136 ? 148.069 148.769 175.519 1   53.784  ? 170 A 1 .
ATOM 2167 C CB   . ILE Axp A    136 ? 150.189 147.332 173.866 1   48.397  ? 170 A 1 .
ATOM 2168 C CG1  . ILE Axp A    136 ? 149.467 146.773 172.627 1   55.425  ? 170 A 1 .
ATOM 2169 C CG2  . ILE Axp A    136 ? 151.655 146.933 173.869 1   50.63   ? 170 A 1 .
ATOM 2170 C CD1  . ILE Axp A    136 ? 149.283 145.257 172.604 1   56.691  ? 170 A 1 .
ATOM 2171 H H    . ILE Axp A    136 ? 149.98  144.965 174.873 1   46.415  ? 170 A 1 c
ATOM 2172 H HA   . ILE Axp A    136 ? 150.078 147.308 175.921 1   46.173  ? 170 A 1 c
ATOM 2173 H HB   . ILE Axp A    136 ? 150.153 148.307 173.804 1   49.547  ? 170 A 1 c
ATOM 2174 H HG12 . ILE Axp A    136 ? 149.973 147.035 171.831 1   54.016  ? 170 A 1 c
ATOM 2175 H HG13 . ILE Axp A    136 ? 148.585 147.193 172.565 1   53.981  ? 170 A 1 c
ATOM 2176 H HG21 . ILE Axp A    136 ? 152.061 147.179 173.021 1   49.777  ? 170 A 1 c
ATOM 2177 H HG22 . ILE Axp A    136 ? 151.735 145.973 173.996 1   49.906  ? 170 A 1 c
ATOM 2178 H HG23 . ILE Axp A    136 ? 152.116 147.392 174.591 1   49.914  ? 170 A 1 c
ATOM 2179 H HD11 . ILE Axp A    136 ? 150.101 144.818 172.897 1   55.813  ? 170 A 1 c
ATOM 2180 H HD12 . ILE Axp A    136 ? 149.075 144.975 171.693 1   56.012  ? 170 A 1 c
ATOM 2181 H HD13 . ILE Axp A    136 ? 148.548 145.006 173.194 1   55.918  ? 170 A 1 c
ATOM 2182 N N    . GLN Axp A    137 ? 147.064 146.792 175.131 1   40.086  ? 171 A 1 .
ATOM 2183 C CA   . GLN Axp A    137 ? 145.738 147.376 175.169 1   36.769  ? 171 A 1 .
ATOM 2184 C C    . GLN Axp A    137 ? 145.307 147.492 176.609 1   36.303  ? 171 A 1 .
ATOM 2185 O O    . GLN Axp A    137 ? 145.168 148.601 177.121 1   39.689  ? 171 A 1 .
ATOM 2186 C CB   . GLN Axp A    137 ? 144.661 146.57  174.468 1   40.057  ? 171 A 1 .
ATOM 2187 C CG   . GLN Axp A    137 ? 143.252 147.119 174.667 1   44.02   ? 171 A 1 .
ATOM 2188 C CD   . GLN Axp A    137 ? 142.926 148.378 173.884 1   44.904  ? 171 A 1 .
ATOM 2189 O OE1  . GLN Axp A    137 ? 143.016 148.447 172.645 1   37.12   ? 171 A 1 .
ATOM 2190 N NE2  . GLN Axp A    137 ? 142.454 149.369 174.633 1   51.33   ? 171 A 1 .
ATOM 2191 H H    . GLN Axp A    137 ? 147.153 145.902 174.946 1   40.568  ? 171 A 1 c
ATOM 2192 H HA   . GLN Axp A    137 ? 145.776 148.281 174.769 1   38.086  ? 171 A 1 c
ATOM 2193 H HB3  . GLN Axp A    137 ? 144.69  145.647 174.791 1   40.111  ? 171 A 1 c
ATOM 2194 H HB2  . GLN Axp A    137 ? 144.86  146.553 173.509 1   40.124  ? 171 A 1 c
ATOM 2195 H HG3  . GLN Axp A    137 ? 143.108 147.301 175.619 1   43.255  ? 171 A 1 c
ATOM 2196 H HG2  . GLN Axp A    137 ? 142.607 146.427 174.405 1   43.278  ? 171 A 1 c
ATOM 2197 H HE21 . GLN Axp A    137 ? 141.662 149.723 174.45  1   49.247  ? 171 A 1 c
ATOM 2198 H HE22 . GLN Axp A    137 ? 142.932 149.674 175.315 1   49.208  ? 171 A 1 c
ATOM 2199 N N    . ILE Axp A    138 ? 145.13  146.346 177.263 1   36.059  ? 172 A 1 .
ATOM 2200 C CA   . ILE Axp A    138 ? 144.734 146.398 178.661 1   40.685  ? 172 A 1 .
ATOM 2201 C C    . ILE Axp A    138 ? 145.686 147.364 179.384 1   39.39   ? 172 A 1 .
ATOM 2202 O O    . ILE Axp A    138 ? 145.321 148.098 180.305 1   44.054  ? 172 A 1 .
ATOM 2203 C CB   . ILE Axp A    138 ? 144.708 144.997 179.295 1   42.948  ? 172 A 1 .
ATOM 2204 C CG1  . ILE Axp A    138 ? 146.087 144.564 179.721 1   51.37   ? 172 A 1 .
ATOM 2205 C CG2  . ILE Axp A    138 ? 144.064 143.963 178.372 1   43.267  ? 172 A 1 .
ATOM 2206 C CD1  . ILE Axp A    138 ? 146.58  145.215 181.004 1   59.526  ? 172 A 1 .
ATOM 2207 H H    . ILE Axp A    138 ? 145.282 145.542 176.858 1   37.303  ? 172 A 1 c
ATOM 2208 H HA   . ILE Axp A    138 ? 143.834 146.764 178.705 1   39.642  ? 172 A 1 c
ATOM 2209 H HB   . ILE Axp A    138 ? 144.158 145.053 180.101 1   44.203  ? 172 A 1 c
ATOM 2210 H HG12 . ILE Axp A    138 ? 146.718 144.763 179.002 1   50.515  ? 172 A 1 c
ATOM 2211 H HG13 . ILE Axp A    138 ? 146.081 143.594 179.848 1   50.836  ? 172 A 1 c
ATOM 2212 H HG21 . ILE Axp A    138 ? 143.625 143.28  178.906 1   43.149  ? 172 A 1 c
ATOM 2213 H HG22 . ILE Axp A    138 ? 144.746 143.548 177.818 1   43.147  ? 172 A 1 c
ATOM 2214 H HG23 . ILE Axp A    138 ? 143.407 144.397 177.803 1   43.073  ? 172 A 1 c
ATOM 2215 H HD11 . ILE Axp A    138 ? 145.885 145.777 181.394 1   56.44   ? 172 A 1 c
ATOM 2216 H HD12 . ILE Axp A    138 ? 147.371 145.755 180.821 1   56.226  ? 172 A 1 c
ATOM 2217 H HD13 . ILE Axp A    138 ? 146.814 144.511 181.638 1   56.727  ? 172 A 1 c
ATOM 2218 N N    . LEU Axp A    139 ? 146.94  147.37  178.939 1   34.77   ? 173 A 1 .
ATOM 2219 C CA   . LEU Axp A    139 ? 147.929 148.267 179.501 1   31.518  ? 173 A 1 .
ATOM 2220 C C    . LEU Axp A    139 ? 147.37  149.689 179.536 1   30.053  ? 173 A 1 .
ATOM 2221 O O    . LEU Axp A    139 ? 147.448 150.379 180.55  1   30.905  ? 173 A 1 .
ATOM 2222 C CB   . LEU Axp A    139 ? 149.184 148.165 178.635 1   30.133  ? 173 A 1 .
ATOM 2223 C CG   . LEU Axp A    139 ? 150.521 148.262 179.374 1   27.568  ? 173 A 1 .
ATOM 2224 C CD1  . LEU Axp A    139 ? 150.742 147.157 180.378 1   25.814  ? 173 A 1 .
ATOM 2225 C CD2  . LEU Axp A    139 ? 151.64  148.264 178.372 1   28.351  ? 173 A 1 .
ATOM 2226 H H    . LEU Axp A    139 ? 147.193 146.789 178.281 1   35.172  ? 173 A 1 c
ATOM 2227 H HA   . LEU Axp A    139 ? 148.135 147.975 180.424 1   31.651  ? 173 A 1 c
ATOM 2228 H HB3  . LEU Axp A    139 ? 149.151 148.881 177.96  1   29.923  ? 173 A 1 c
ATOM 2229 H HB2  . LEU Axp A    139 ? 149.164 147.308 178.155 1   29.976  ? 173 A 1 c
ATOM 2230 H HG   . LEU Axp A    139 ? 150.543 149.127 179.859 1   27.826  ? 173 A 1 c
ATOM 2231 H HD11 . LEU Axp A    139 ? 150.317 147.393 181.22  1   26.397  ? 173 A 1 c
ATOM 2232 H HD12 . LEU Axp A    139 ? 151.695 147.031 180.523 1   26.389  ? 173 A 1 c
ATOM 2233 H HD13 . LEU Axp A    139 ? 150.355 146.331 180.043 1   26.484  ? 173 A 1 c
ATOM 2234 H HD21 . LEU Axp A    139 ? 151.471 148.941 177.696 1   28.135  ? 173 A 1 c
ATOM 2235 H HD22 . LEU Axp A    139 ? 151.697 147.391 177.948 1   28.117  ? 173 A 1 c
ATOM 2236 H HD23 . LEU Axp A    139 ? 152.479 148.459 178.823 1   28.108  ? 173 A 1 c
ATOM 2237 N N    . ALA Axp A    140 ? 146.785 150.115 178.416 1   27.728  ? 174 A 1 .
ATOM 2238 C CA   . ALA Axp A    140 ? 146.136 151.411 178.34  1   26.837  ? 174 A 1 .
ATOM 2239 C C    . ALA Axp A    140 ? 144.896 151.423 179.218 1   23.771  ? 174 A 1 .
ATOM 2240 O O    . ALA Axp A    140 ? 144.752 152.292 180.065 1   20.584  ? 174 A 1 .
ATOM 2241 C CB   . ALA Axp A    140 ? 145.795 151.736 176.908 1   28.162  ? 174 A 1 .
ATOM 2242 H H    . ALA Axp A    140 ? 146.803 149.587 177.67  1   28.157  ? 174 A 1 c
ATOM 2243 H HA   . ALA Axp A    140 ? 146.763 152.097 178.688 1   26.767  ? 174 A 1 c
ATOM 2244 H HB3  . ALA Axp A    140 ? 145.557 152.675 176.834 1   27.895  ? 174 A 1 c
ATOM 2245 H HB2  . ALA Axp A    140 ? 145.045 151.192 176.617 1   27.789  ? 174 A 1 c
ATOM 2246 H HB1  . ALA Axp A    140 ? 146.562 151.554 176.34  1   27.794  ? 174 A 1 c
ATOM 2247 N N    . ASP Axp A    141 ? 144.023 150.442 179.004 1   24.756  ? 175 A 1 .
ATOM 2248 C CA   . ASP Axp A    141 ? 142.836 150.28  179.83  1   27.472  ? 175 A 1 .
ATOM 2249 C C    . ASP Axp A    141 ? 143.173 150.594 181.287 1   31.287  ? 175 A 1 .
ATOM 2250 O O    . ASP Axp A    141 ? 142.583 151.478 181.901 1   38.327  ? 175 A 1 .
ATOM 2251 C CB   . ASP Axp A    141 ? 142.23  148.892 179.724 1   26.113  ? 175 A 1 .
ATOM 2252 C CG   . ASP Axp A    141 ? 141.821 148.52  178.314 1   28.077  ? 175 A 1 .
ATOM 2253 O OD1  . ASP Axp A    141 ? 142.385 149.099 177.375 1   32.541  ? 175 A 1 .
ATOM 2254 O OD2  . ASP Axp A    141 ? 140.91  147.702 178.156 1   28.915  ? 175 A 1 .
ATOM 2255 H H    . ASP Axp A    141 ? 144.17  149.851 178.322 1   25.183  ? 175 A 1 c
ATOM 2256 H HA   . ASP Axp A    141 ? 142.16  150.925 179.522 1   27.312  ? 175 A 1 c
ATOM 2257 H HB3  . ASP Axp A    141 ? 141.44  148.845 180.298 1   26.991  ? 175 A 1 c
ATOM 2258 H HB2  . ASP Axp A    141 ? 142.873 148.231 180.049 1   27.08   ? 175 A 1 c
ATOM 2259 N N    . TYR Axp A    142 ? 144.147 149.873 181.834 1   30.911  ? 176 A 1 .
ATOM 2260 C CA   . TYR Axp A    142 ? 144.552 150.072 183.209 1   29.632  ? 176 A 1 .
ATOM 2261 C C    . TYR Axp A    142 ? 144.921 151.526 183.42  1   30.345  ? 176 A 1 .
ATOM 2262 O O    . TYR Axp A    142 ? 144.294 152.194 184.233 1   31.562  ? 176 A 1 .
ATOM 2263 C CB   . TYR Axp A    142 ? 145.684 149.098 183.528 1   29.802  ? 176 A 1 .
ATOM 2264 C CG   . TYR Axp A    142 ? 145.18  147.671 183.694 1   27.876  ? 176 A 1 .
ATOM 2265 C CD1  . TYR Axp A    142 ? 143.865 147.317 183.398 1   25.684  ? 176 A 1 .
ATOM 2266 C CD2  . TYR Axp A    142 ? 146.025 146.684 184.149 1   25.847  ? 176 A 1 .
ATOM 2267 C CE1  . TYR Axp A    142 ? 143.415 146.023 183.533 1   24.379  ? 176 A 1 .
ATOM 2268 C CE2  . TYR Axp A    142 ? 145.583 145.385 184.284 1   26.096  ? 176 A 1 .
ATOM 2269 C CZ   . TYR Axp A    142 ? 144.28  145.047 183.964 1   24.971  ? 176 A 1 .
ATOM 2270 O OH   . TYR Axp A    142 ? 143.849 143.753 184.069 1   26.509  ? 176 A 1 .
ATOM 2271 H H    . TYR Axp A    142 ? 144.573 149.238 181.333 1   30.596  ? 176 A 1 c
ATOM 2272 H HA   . TYR Axp A    142 ? 143.779 149.863 183.797 1   29.977  ? 176 A 1 c
ATOM 2273 H HB3  . TYR Axp A    142 ? 146.123 149.384 184.36  1   29.397  ? 176 A 1 c
ATOM 2274 H HB2  . TYR Axp A    142 ? 146.344 149.127 182.801 1   29.339  ? 176 A 1 c
ATOM 2275 H HD1  . TYR Axp A    142 ? 143.267 147.972 183.083 1   25.958  ? 176 A 1 c
ATOM 2276 H HD2  . TYR Axp A    142 ? 146.923 146.894 184.352 1   26.457  ? 176 A 1 c
ATOM 2277 H HE1  . TYR Axp A    142 ? 142.528 145.802 183.306 1   24.868  ? 176 A 1 c
ATOM 2278 H HE2  . TYR Axp A    142 ? 146.178 144.716 184.576 1   25.839  ? 176 A 1 c
ATOM 2279 H HH   . TYR Axp A    142 ? 143.081 143.717 183.899 0   17.19   ? 176 A 1 c
ATOM 2280 N N    . LEU Axp A    143 ? 145.9   152.013 182.652 1   32.296  ? 177 A 1 .
ATOM 2281 C CA   . LEU Axp A    143 ? 146.313 153.413 182.743 1   31.498  ? 177 A 1 .
ATOM 2282 C C    . LEU Axp A    143 ? 145.071 154.301 182.818 1   26.985  ? 177 A 1 .
ATOM 2283 O O    . LEU Axp A    143 ? 144.899 155.023 183.785 1   22.888  ? 177 A 1 .
ATOM 2284 C CB   . LEU Axp A    143 ? 147.208 153.769 181.552 1   33.415  ? 177 A 1 .
ATOM 2285 C CG   . LEU Axp A    143 ? 147.757 155.203 181.461 1   32.222  ? 177 A 1 .
ATOM 2286 C CD1  . LEU Axp A    143 ? 146.679 156.232 181.3   1   33.349  ? 177 A 1 .
ATOM 2287 C CD2  . LEU Axp A    143 ? 148.597 155.537 182.654 1   31.798  ? 177 A 1 .
ATOM 2288 H H    . LEU Axp A    143 ? 146.324 151.463 182.058 1   31.625  ? 177 A 1 c
ATOM 2289 H HA   . LEU Axp A    143 ? 146.829 153.526 183.581 1   31.048  ? 177 A 1 c
ATOM 2290 H HB3  . LEU Axp A    143 ? 146.704 153.584 180.727 1   32.555  ? 177 A 1 c
ATOM 2291 H HB2  . LEU Axp A    143 ? 147.973 153.149 181.554 1   32.669  ? 177 A 1 c
ATOM 2292 H HG   . LEU Axp A    143 ? 148.341 155.254 180.66  1   32.566  ? 177 A 1 c
ATOM 2293 H HD11 . LEU Axp A    143 ? 145.908 155.828 180.878 1   33.201  ? 177 A 1 c
ATOM 2294 H HD12 . LEU Axp A    143 ? 147.005 156.962 180.747 1   33.059  ? 177 A 1 c
ATOM 2295 H HD13 . LEU Axp A    143 ? 146.429 156.575 182.17  1   33.083  ? 177 A 1 c
ATOM 2296 H HD21 . LEU Axp A    143 ? 149.297 154.87  182.755 1   31.924  ? 177 A 1 c
ATOM 2297 H HD22 . LEU Axp A    143 ? 148.042 155.545 183.452 1   31.924  ? 177 A 1 c
ATOM 2298 H HD23 . LEU Axp A    143 ? 149     156.413 182.533 1   31.924  ? 177 A 1 c
ATOM 2299 N N    . THR Axp A    144 ? 144.206 154.198 181.804 1   25.684  ? 178 A 1 .
ATOM 2300 C CA   . THR Axp A    144 ? 142.965 154.944 181.75  1   25.932  ? 178 A 1 .
ATOM 2301 C C    . THR Axp A    144 ? 142.235 154.887 183.088 1   25.984  ? 178 A 1 .
ATOM 2302 O O    . THR Axp A    144 ? 141.884 155.914 183.648 1   26.934  ? 178 A 1 .
ATOM 2303 C CB   . THR Axp A    144 ? 142.073 154.35  180.663 1   26.85   ? 178 A 1 .
ATOM 2304 O OG1  . THR Axp A    144 ? 142.647 154.588 179.379 1   23.896  ? 178 A 1 .
ATOM 2305 C CG2  . THR Axp A    144 ? 140.654 154.877 180.793 1   28.194  ? 178 A 1 .
ATOM 2306 H H    . THR Axp A    144 ? 144.403 153.632 181.114 1   26.196  ? 178 A 1 c
ATOM 2307 H HA   . THR Axp A    144 ? 143.164 155.879 181.529 1   26.23   ? 178 A 1 c
ATOM 2308 H HB   . THR Axp A    144 ? 142.027 153.375 180.8   1   26.398  ? 178 A 1 c
ATOM 2309 H HG1  . THR Axp A    144 ? 142.619 155.497 179.3   0   11.5    ? 178 A 1 c
ATOM 2310 H HG21 . THR Axp A    144 ? 140.206 154.813 179.933 1   27.811  ? 178 A 1 c
ATOM 2311 H HG22 . THR Axp A    144 ? 140.674 155.807 181.076 1   27.795  ? 178 A 1 c
ATOM 2312 H HG23 . THR Axp A    144 ? 140.169 154.348 181.448 1   27.894  ? 178 A 1 c
ATOM 2313 N N    . LEU Axp A    145 ? 141.936 153.676 183.546 1   27.05   ? 179 A 1 .
ATOM 2314 C CA   . LEU Axp A    145 ? 141.257 153.486 184.809 1   29.085  ? 179 A 1 .
ATOM 2315 C C    . LEU Axp A    145 ? 141.982 154.258 185.886 1   32.024  ? 179 A 1 .
ATOM 2316 O O    . LEU Axp A    145 ? 141.437 155.198 186.427 1   37.543  ? 179 A 1 .
ATOM 2317 C CB   . LEU Axp A    145 ? 141.237 152.011 185.179 1   28.812  ? 179 A 1 .
ATOM 2318 C CG   . LEU Axp A    145 ? 140.263 151.153 184.388 1   27.641  ? 179 A 1 .
ATOM 2319 C CD1  . LEU Axp A    145 ? 140.091 149.856 185.104 1   27.89   ? 179 A 1 .
ATOM 2320 C CD2  . LEU Axp A    145 ? 138.986 151.909 184.317 1   28.773  ? 179 A 1 .
ATOM 2321 H H    . LEU Axp A    145 ? 142.167 152.94  183.056 1   27.23   ? 179 A 1 c
ATOM 2322 H HA   . LEU Axp A    145 ? 140.336 153.833 184.732 1   29.174  ? 179 A 1 c
ATOM 2323 H HB3  . LEU Axp A    145 ? 141.012 151.937 186.135 1   28.626  ? 179 A 1 c
ATOM 2324 H HB2  . LEU Axp A    145 ? 142.142 151.645 185.055 1   28.68   ? 179 A 1 c
ATOM 2325 H HG   . LEU Axp A    145 ? 140.62  150.997 183.477 1   28.157  ? 179 A 1 c
ATOM 2326 H HD11 . LEU Axp A    145 ? 140.962 149.453 185.26  1   27.865  ? 179 A 1 c
ATOM 2327 H HD12 . LEU Axp A    145 ? 139.551 149.256 184.563 1   27.928  ? 179 A 1 c
ATOM 2328 H HD13 . LEU Axp A    145 ? 139.65  150.011 185.956 1   27.936  ? 179 A 1 c
ATOM 2329 H HD21 . LEU Axp A    145 ? 139.038 152.575 183.612 1   28.543  ? 179 A 1 c
ATOM 2330 H HD22 . LEU Axp A    145 ? 138.814 152.347 185.168 1   28.554  ? 179 A 1 c
ATOM 2331 H HD23 . LEU Axp A    145 ? 138.258 151.296 184.123 1   28.554  ? 179 A 1 c
ATOM 2332 N N    . GLN Axp A    146 ? 143.22  153.861 186.151 1   34.194  ? 180 A 1 .
ATOM 2333 C CA   . GLN Axp A    146 ? 144.037 154.51  187.156 1   38.289  ? 180 A 1 .
ATOM 2334 C C    . GLN Axp A    146 ? 143.827 156.014 187.093 1   37.28   ? 180 A 1 .
ATOM 2335 O O    . GLN Axp A    146 ? 143.642 156.676 188.101 1   36.983  ? 180 A 1 .
ATOM 2336 C CB   . GLN Axp A    146 ? 145.51  154.236 186.872 1   44.283  ? 180 A 1 .
ATOM 2337 C CG   . GLN Axp A    146 ? 146.47  154.727 187.952 1   49.176  ? 180 A 1 .
ATOM 2338 C CD   . GLN Axp A    146 ? 146.52  156.232 188.089 1   50.898  ? 180 A 1 .
ATOM 2339 O OE1  . GLN Axp A    146 ? 146.376 156.993 187.12  1   55.639  ? 180 A 1 .
ATOM 2340 N NE2  . GLN Axp A    146 ? 146.702 156.661 189.329 1   53.127  ? 180 A 1 .
ATOM 2341 H H    . GLN Axp A    146 ? 143.584 153.176 185.667 1   34.681  ? 180 A 1 c
ATOM 2342 H HA   . GLN Axp A    146 ? 143.782 154.174 188.052 1   38.337  ? 180 A 1 c
ATOM 2343 H HB3  . GLN Axp A    146 ? 145.749 154.66  186.023 1   43.643  ? 180 A 1 c
ATOM 2344 H HB2  . GLN Axp A    146 ? 145.63  153.27  186.762 1   43.756  ? 180 A 1 c
ATOM 2345 H HG3  . GLN Axp A    146 ? 147.373 154.404 187.748 1   48.451  ? 180 A 1 c
ATOM 2346 H HG2  . GLN Axp A    146 ? 146.205 154.342 188.814 1   48.465  ? 180 A 1 c
ATOM 2347 H HE21 . GLN Axp A    146 ? 146.374 157.446 189.576 1   52.454  ? 180 A 1 c
ATOM 2348 H HE22 . GLN Axp A    146 ? 147.155 156.166 189.91  1   52.381  ? 180 A 1 c
ATOM 2349 N N    . GLU Axp A    147 ? 143.859 156.559 185.885 1   36.546  ? 181 A 1 .
ATOM 2350 C CA   . GLU Axp A    147 ? 143.707 157.986 185.742 1   36.082  ? 181 A 1 .
ATOM 2351 C C    . GLU Axp A    147 ? 142.372 158.4   186.293 1   36.443  ? 181 A 1 .
ATOM 2352 O O    . GLU Axp A    147 ? 142.32  159.374 187.016 1   45.788  ? 181 A 1 .
ATOM 2353 C CB   . GLU Axp A    147 ? 143.765 158.463 184.302 1   38.084  ? 181 A 1 .
ATOM 2354 C CG   . GLU Axp A    147 ? 145.186 158.306 183.789 1   41.63   ? 181 A 1 .
ATOM 2355 C CD   . GLU Axp A    147 ? 145.488 159.004 182.492 1   41.692  ? 181 A 1 .
ATOM 2356 O OE1  . GLU Axp A    147 ? 144.684 158.798 181.554 1   37.347  ? 181 A 1 .
ATOM 2357 O OE2  . GLU Axp A    147 ? 146.552 159.676 182.448 1   45.828  ? 181 A 1 .
ATOM 2358 H H    . GLU Axp A    147 ? 143.993 156.044 185.142 1   36.552  ? 181 A 1 c
ATOM 2359 H HA   . GLU Axp A    147 ? 144.42  158.434 186.264 1   36.784  ? 181 A 1 c
ATOM 2360 H HB3  . GLU Axp A    147 ? 143.492 159.403 184.259 1   38.353  ? 181 A 1 c
ATOM 2361 H HB2  . GLU Axp A    147 ? 143.142 157.94  183.758 1   38.289  ? 181 A 1 c
ATOM 2362 H HG3  . GLU Axp A    147 ? 145.375 157.354 183.678 1   40.565  ? 181 A 1 c
ATOM 2363 H HG2  . GLU Axp A    147 ? 145.806 158.645 184.47  1   40.736  ? 181 A 1 c
ATOM 2364 N N    . HIS Axp A    148 ? 141.321 157.685 185.916 1   38.352  ? 182 A 1 .
ATOM 2365 C CA   . HIS Axp A    148 ? 139.98  158.094 186.294 1   42.715  ? 182 A 1 .
ATOM 2366 C C    . HIS Axp A    148 ? 139.699 157.88  187.78  1   40.186  ? 182 A 1 .
ATOM 2367 O O    . HIS Axp A    148 ? 139.097 158.749 188.382 1   47.999  ? 182 A 1 .
ATOM 2368 C CB   . HIS Axp A    148 ? 138.949 157.409 185.411 1   45.829  ? 182 A 1 .
ATOM 2369 C CG   . HIS Axp A    148 ? 137.545 157.561 185.854 1   42.228  ? 182 A 1 .
ATOM 2370 N ND1  . HIS Axp A    148 ? 136.988 156.759 186.828 1   40.153  ? 182 A 1 .
ATOM 2371 C CD2  . HIS Axp A    148 ? 136.581 158.337 185.385 1   42.039  ? 182 A 1 .
ATOM 2372 C CE1  . HIS Axp A    148 ? 135.707 157.055 186.947 1   41.353  ? 182 A 1 .
ATOM 2373 N NE2  . HIS Axp A    148 ? 135.452 158.015 186.092 1   47.161  ? 182 A 1 .
ATOM 2374 H H    . HIS Axp A    148 ? 141.432 156.936 185.404 1   38.825  ? 182 A 1 c
ATOM 2375 H HA   . HIS Axp A    148 ? 139.916 159.065 186.113 1   41.932  ? 182 A 1 c
ATOM 2376 H HB3  . HIS Axp A    148 ? 139.163 156.452 185.367 1   44.207  ? 182 A 1 c
ATOM 2377 H HB2  . HIS Axp A    148 ? 139.033 157.767 184.5   1   44.239  ? 182 A 1 c
ATOM 2378 H HD1  . HIS Axp A    148 ? 137.391 156.371 187.707 0   42.06   ? 182 A 1 c
ATOM 2379 H HD2  . HIS Axp A    148 ? 136.648 158.981 184.708 1   43.176  ? 182 A 1 c
ATOM 2380 H HE1  . HIS Axp A    148 ? 135.101 156.682 187.565 1   42.362  ? 182 A 1 c
ATOM 2381 H HE2  . HIS Axp A    148 ? 134.657 158.416 186.026 0   43.19   ? 182 A 1 c
ATOM 2382 N N    . TYR Axp A    149 ? 140.106 156.755 188.375 1   39.687  ? 183 A 1 .
ATOM 2383 C CA   . TYR Axp A    149 ? 139.865 156.49  189.796 1   37.487  ? 183 A 1 .
ATOM 2384 C C    . TYR Axp A    149 ? 141.051 156.845 190.695 1   36.818  ? 183 A 1 .
ATOM 2385 O O    . TYR Axp A    149 ? 140.948 156.723 191.904 1   30.064  ? 183 A 1 .
ATOM 2386 C CB   . TYR Axp A    149 ? 139.606 155     190.028 1   35.894  ? 183 A 1 .
ATOM 2387 C CG   . TYR Axp A    149 ? 138.324 154.474 189.408 1   35.363  ? 183 A 1 .
ATOM 2388 C CD1  . TYR Axp A    149 ? 138.338 153.821 188.193 1   39.954  ? 183 A 1 .
ATOM 2389 C CD2  . TYR Axp A    149 ? 137.1   154.633 190.044 1   35.374  ? 183 A 1 .
ATOM 2390 C CE1  . TYR Axp A    149 ? 137.164 153.331 187.638 1   44.755  ? 183 A 1 .
ATOM 2391 C CE2  . TYR Axp A    149 ? 135.926 154.132 189.514 1   37.524  ? 183 A 1 .
ATOM 2392 C CZ   . TYR Axp A    149 ? 135.952 153.483 188.297 1   40.759  ? 183 A 1 .
ATOM 2393 O OH   . TYR Axp A    149 ? 134.766 153.042 187.775 1   40.143  ? 183 A 1 .
ATOM 2394 H H    . TYR Axp A    149 ? 140.545 156.124 187.88  1   39.368  ? 183 A 1 c
ATOM 2395 H HA   . TYR Axp A    149 ? 139.068 157.004 190.092 1   37.549  ? 183 A 1 c
ATOM 2396 H HB3  . TYR Axp A    149 ? 139.576 154.834 190.997 1   36.095  ? 183 A 1 c
ATOM 2397 H HB2  . TYR Axp A    149 ? 140.365 154.492 189.663 1   36.14   ? 183 A 1 c
ATOM 2398 H HD1  . TYR Axp A    149 ? 139.155 153.699 187.737 1   39.822  ? 183 A 1 c
ATOM 2399 H HD2  . TYR Axp A    149 ? 137.073 155.066 190.881 1   35.975  ? 183 A 1 c
ATOM 2400 H HE1  . TYR Axp A    149 ? 137.192 152.888 186.81  1   42.215  ? 183 A 1 c
ATOM 2401 H HE2  . TYR Axp A    149 ? 135.109 154.263 189.962 1   37.564  ? 183 A 1 c
ATOM 2402 H HH   . TYR Axp A    149 ? 134.97  152.749 186.933 0   30.18   ? 183 A 1 c
ATOM 2403 N N    . SER Axp A    150 ? 142.19  157.204 190.09  1   47.965  ? 184 A 1 .
ATOM 2404 C CA   . SER Axp A    150 ? 143.424 157.568 190.786 1   58.592  ? 184 A 1 .
ATOM 2405 C C    . SER Axp A    150 ? 143.918 156.427 191.681 1   44.966  ? 184 A 1 .
ATOM 2406 O O    . SER Axp A    150 ? 144.426 156.666 192.753 1   42.017  ? 184 A 1 .
ATOM 2407 C CB   . SER Axp A    150 ? 143.29  158.915 191.567 1   83.213  ? 184 A 1 .
ATOM 2408 O OG   . SER Axp A    150 ? 143.382 160.105 190.77  1   90.105  ? 184 A 1 .
ATOM 2409 H H    . SER Axp A    150 ? 142.201 157.223 189.177 1   46.826  ? 184 A 1 c
ATOM 2410 H HA   . SER Axp A    150 ? 144.115 157.708 190.093 1   57.014  ? 184 A 1 c
ATOM 2411 H HB3  . SER Axp A    150 ? 143.985 158.95  192.251 1   77.74   ? 184 A 1 c
ATOM 2412 H HB2  . SER Axp A    150 ? 142.433 158.92  192.033 1   77.61   ? 184 A 1 c
ATOM 2413 H HG   . SER Axp A    150 ? 143.808 160.653 191.046 0   48.55   ? 184 A 1 c
ATOM 2414 N N    . SER Axp A    151 ? 143.803 155.188 191.214 1   44.12   ? 185 A 1 .
ATOM 2415 C CA   . SER Axp A    151 ? 144.24  153.994 191.925 1   47.843  ? 185 A 1 .
ATOM 2416 C C    . SER Axp A    151 ? 143.508 152.8   191.317 1   51.982  ? 185 A 1 .
ATOM 2417 O O    . SER Axp A    151 ? 142.308 152.885 191.067 1   60.962  ? 185 A 1 .
ATOM 2418 C CB   . SER Axp A    151 ? 143.982 154.056 193.418 1   46.605  ? 185 A 1 .
ATOM 2419 O OG   . SER Axp A    151 ? 142.591 154.004 193.695 1   49.238  ? 185 A 1 .
ATOM 2420 H H    . SER Axp A    151 ? 143.433 155.077 190.386 1   45.286  ? 185 A 1 c
ATOM 2421 H HA   . SER Axp A    151 ? 145.21  153.877 191.775 1   47.686  ? 185 A 1 c
ATOM 2422 H HB3  . SER Axp A    151 ? 144.36  154.873 193.788 1   47.436  ? 185 A 1 c
ATOM 2423 H HB2  . SER Axp A    151 ? 144.424 153.3   193.85  1   47.487  ? 185 A 1 c
ATOM 2424 H HG   . SER Axp A    151 ? 142.339 153.936 194.451 0   37.92   ? 185 A 1 c
ATOM 2425 N N    . LEU Axp A    152 ? 144.204 151.689 191.079 1   47.613  ? 186 A 1 .
ATOM 2426 C CA   . LEU Axp A    152 ? 143.519 150.458 190.722 1   49.748  ? 186 A 1 .
ATOM 2427 C C    . LEU Axp A    152 ? 143.391 149.576 191.96  1   59.325  ? 186 A 1 .
ATOM 2428 O O    . LEU Axp A    152 ? 142.736 148.532 191.943 1   58.753  ? 186 A 1 .
ATOM 2429 C CB   . LEU Axp A    152 ? 144.332 149.799 189.625 1   48.582  ? 186 A 1 .
ATOM 2430 C CG   . LEU Axp A    152 ? 144.775 150.742 188.51  1   49.684  ? 186 A 1 .
ATOM 2431 C CD1  . LEU Axp A    152 ? 145.806 150.072 187.617 1   52.368  ? 186 A 1 .
ATOM 2432 C CD2  . LEU Axp A    152 ? 143.539 151.179 187.747 1   52.867  ? 186 A 1 .
ATOM 2433 H H    . LEU Axp A    152 ? 145.117 151.699 191.127 1   49.489  ? 186 A 1 c
ATOM 2434 H HA   . LEU Axp A    152 ? 142.62  150.682 190.382 1   50.649  ? 186 A 1 c
ATOM 2435 H HB3  . LEU Axp A    152 ? 143.793 149.076 189.231 1   49.111  ? 186 A 1 c
ATOM 2436 H HB2  . LEU Axp A    152 ? 145.133 149.397 190.032 1   49.165  ? 186 A 1 c
ATOM 2437 H HG   . LEU Axp A    152 ? 145.192 151.543 188.917 1   50.521  ? 186 A 1 c
ATOM 2438 H HD11 . LEU Axp A    152 ? 146.609 149.884 188.132 1   51.53   ? 186 A 1 c
ATOM 2439 H HD12 . LEU Axp A    152 ? 146.028 150.662 186.877 1   51.553  ? 186 A 1 c
ATOM 2440 H HD13 . LEU Axp A    152 ? 145.444 149.24  187.269 1   51.553  ? 186 A 1 c
ATOM 2441 H HD21 . LEU Axp A    152 ? 143.176 151.985 188.15  1   51.521  ? 186 A 1 c
ATOM 2442 H HD22 . LEU Axp A    152 ? 142.87  150.475 187.775 1   51.721  ? 186 A 1 c
ATOM 2443 H HD23 . LEU Axp A    152 ? 143.776 151.358 186.823 1   51.531  ? 186 A 1 c
ATOM 2444 N N    . LYS Axp A    153 ? 144.066 150.041 193.026 1   73.138  ? 187 A 1 .
ATOM 2445 C CA   . LYS Axp A    153 ? 143.902 149.606 194.411 1   74.263  ? 187 A 1 .
ATOM 2446 C C    . LYS Axp A    153 ? 143.216 148.25  194.464 1   47.696  ? 187 A 1 .
ATOM 2447 O O    . LYS Axp A    153 ? 143.896 147.253 194.632 1   38.863  ? 187 A 1 .
ATOM 2448 C CB   . LYS Axp A    153 ? 143.136 150.57  195.357 1   103.984 ? 187 A 1 .
ATOM 2449 C CG   . LYS Axp A    153 ? 141.872 151.285 194.833 1   110.593 ? 187 A 1 .
ATOM 2450 C CD   . LYS Axp A    153 ? 140.851 151.876 195.8   1   107.095 ? 187 A 1 .
ATOM 2451 C CE   . LYS Axp A    153 ? 139.61  151.037 195.79  1   102.631 ? 187 A 1 .
ATOM 2452 N NZ   . LYS Axp A    153 ? 138.663 151.372 196.862 1   98.297  ? 187 A 1 .
ATOM 2453 H H    . LYS Axp A    153 ? 144.697 150.681 192.872 1   69.094  ? 187 A 1 c
ATOM 2454 H HA   . LYS Axp A    153 ? 144.81  149.495 194.793 1   72.173  ? 187 A 1 c
ATOM 2455 H HB3  . LYS Axp A    153 ? 143.769 151.262 195.648 1   97.571  ? 187 A 1 c
ATOM 2456 H HB2  . LYS Axp A    153 ? 142.881 150.063 196.158 1   97.223  ? 187 A 1 c
ATOM 2457 H HG3  . LYS Axp A    153 ? 141.4   150.66  194.249 1   106.228 ? 187 A 1 c
ATOM 2458 H HG2  . LYS Axp A    153 ? 142.177 152.009 194.25  1   106.691 ? 187 A 1 c
ATOM 2459 H HD3  . LYS Axp A    153 ? 140.628 152.793 195.528 1   106.808 ? 187 A 1 c
ATOM 2460 H HD2  . LYS Axp A    153 ? 141.226 151.895 196.708 1   106.769 ? 187 A 1 c
ATOM 2461 H HE3  . LYS Axp A    153 ? 139.859 150.099 195.881 1   102.656 ? 187 A 1 c
ATOM 2462 H HE2  . LYS Axp A    153 ? 139.161 151.144 194.933 1   102.623 ? 187 A 1 c
ATOM 2463 H HZ1  . LYS Axp A    153 ? 138.261 152.163 196.68  1   99.632  ? 187 A 1 c
ATOM 2464 H HZ2  . LYS Axp A    153 ? 139.102 151.435 197.653 1   99.699  ? 187 A 1 c
ATOM 2465 H HZ3  . LYS Axp A    153 ? 138.031 150.724 196.925 1   99.632  ? 187 A 1 c
ATOM 2466 N N    . GLY Axp A    154 ? 141.885 148.262 194.305 1   41.199  ? 188 A 1 .
ATOM 2467 C CA   . GLY Axp A    154 ? 141.019 147.164 194.7   1   43.061  ? 188 A 1 .
ATOM 2468 C C    . GLY Axp A    154 ? 139.659 147.214 194.011 1   41.681  ? 188 A 1 .
ATOM 2469 O O    . GLY Axp A    154 ? 138.671 146.599 194.443 1   37.229  ? 188 A 1 .
ATOM 2470 H H    . GLY Axp A    154 ? 141.502 148.993 193.919 1   44.327  ? 188 A 1 c
ATOM 2471 H HA3  . GLY Axp A    154 ? 140.891 147.194 195.677 1   42.292  ? 188 A 1 c
ATOM 2472 H HA2  . GLY Axp A    154 ? 141.462 146.313 194.481 1   42.256  ? 188 A 1 c
ATOM 2473 N N    . LEU Axp A    155 ? 139.63  147.903 192.877 1   43.49   ? 189 A 1 .
ATOM 2474 C CA   . LEU Axp A    155 ? 138.432 147.871 192.057 1   42.354  ? 189 A 1 .
ATOM 2475 C C    . LEU Axp A    155 ? 138.232 146.479 191.437 1   35.338  ? 189 A 1 .
ATOM 2476 O O    . LEU Axp A    155 ? 139.165 145.713 191.203 1   29.683  ? 189 A 1 .
ATOM 2477 C CB   . LEU Axp A    155 ? 138.389 149.013 191.033 1   40.781  ? 189 A 1 .
ATOM 2478 C CG   . LEU Axp A    155 ? 139.69  149.759 190.723 1   39.479  ? 189 A 1 .
ATOM 2479 C CD1  . LEU Axp A    155 ? 140.669 148.879 190.019 1   41.634  ? 189 A 1 .
ATOM 2480 C CD2  . LEU Axp A    155 ? 139.348 150.902 189.832 1   40.148  ? 189 A 1 .
ATOM 2481 H H    . LEU Axp A    155 ? 140.358 148.378 192.602 1   42.716  ? 189 A 1 c
ATOM 2482 H HA   . LEU Axp A    155 ? 137.67  148.008 192.675 1   40.884  ? 189 A 1 c
ATOM 2483 H HB3  . LEU Axp A    155 ? 137.726 149.671 191.345 1   40.815  ? 189 A 1 c
ATOM 2484 H HB2  . LEU Axp A    155 ? 138.038 148.648 190.187 1   40.794  ? 189 A 1 c
ATOM 2485 H HG   . LEU Axp A    155 ? 140.085 150.104 191.565 1   40.272  ? 189 A 1 c
ATOM 2486 H HD11 . LEU Axp A    155 ? 140.927 148.149 190.6   1   41.2    ? 189 A 1 c
ATOM 2487 H HD12 . LEU Axp A    155 ? 141.452 149.39  189.769 1   41.281  ? 189 A 1 c
ATOM 2488 H HD13 . LEU Axp A    155 ? 140.254 148.518 189.218 1   41.08   ? 189 A 1 c
ATOM 2489 H HD21 . LEU Axp A    155 ? 138.754 151.512 190.3   1   39.957  ? 189 A 1 c
ATOM 2490 H HD22 . LEU Axp A    155 ? 138.907 150.57  189.032 1   39.956  ? 189 A 1 c
ATOM 2491 H HD23 . LEU Axp A    155 ? 140.161 151.373 189.581 1   39.966  ? 189 A 1 c
ATOM 2492 N N    . THR Axp A    156 ? 136.961 146.171 191.188 1   33.951  ? 190 A 1 .
ATOM 2493 C CA   . THR Axp A    156 ? 136.556 144.909 190.597 1   34.176  ? 190 A 1 .
ATOM 2494 C C    . THR Axp A    156 ? 136.073 145.178 189.168 1   32.353  ? 190 A 1 .
ATOM 2495 O O    . THR Axp A    156 ? 135.116 145.905 188.922 1   28.714  ? 190 A 1 .
ATOM 2496 C CB   . THR Axp A    156 ? 135.471 144.277 191.467 1   34.176  ? 190 A 1 .
ATOM 2497 O OG1  . THR Axp A    156 ? 134.327 144.104 190.628 1   34.119  ? 190 A 1 .
ATOM 2498 C CG2  . THR Axp A    156 ? 135.247 145.101 192.725 1   34.803  ? 190 A 1 .
ATOM 2499 H H    . THR Axp A    156 ? 136.319 146.801 191.351 1   34.537  ? 190 A 1 c
ATOM 2500 H HA   . THR Axp A    156 ? 137.329 144.312 190.57  1   33.932  ? 190 A 1 c
ATOM 2501 H HB   . THR Axp A    156 ? 135.769 143.384 191.758 1   34.429  ? 190 A 1 c
ATOM 2502 H HG1  . THR Axp A    156 ? 134.049 144.918 190.446 0   21.93   ? 190 A 1 c
ATOM 2503 H HG21 . THR Axp A    156 ? 134.801 144.551 193.392 1   34.66   ? 190 A 1 c
ATOM 2504 H HG22 . THR Axp A    156 ? 134.686 145.865 192.517 1   34.805  ? 190 A 1 c
ATOM 2505 H HG23 . THR Axp A    156 ? 136.098 145.404 193.079 1   34.656  ? 190 A 1 c
ATOM 2506 N N    . LEU Axp A    157 ? 136.765 144.56  188.217 1   34.192  ? 191 A 1 .
ATOM 2507 C CA   . LEU Axp A    157 ? 136.498 144.736 186.804 1   33.665  ? 191 A 1 .
ATOM 2508 C C    . LEU Axp A    157 ? 135.431 143.731 186.429 1   32.763  ? 191 A 1 .
ATOM 2509 O O    . LEU Axp A    157 ? 135.397 142.648 186.994 1   32.725  ? 191 A 1 .
ATOM 2510 C CB   . LEU Axp A    157 ? 137.773 144.492 185.998 1   34.415  ? 191 A 1 .
ATOM 2511 C CG   . LEU Axp A    157 ? 138.872 145.558 186.112 1   33.463  ? 191 A 1 .
ATOM 2512 C CD1  . LEU Axp A    157 ? 139.278 145.886 187.531 1   33.993  ? 191 A 1 .
ATOM 2513 C CD2  . LEU Axp A    157 ? 140.103 145.11  185.38  1   32.868  ? 191 A 1 .
ATOM 2514 H H    . LEU Axp A    157 ? 137.434 143.989 188.462 1   33.673  ? 191 A 1 c
ATOM 2515 H HA   . LEU Axp A    157 ? 136.169 145.653 186.645 1   33.789  ? 191 A 1 c
ATOM 2516 H HB3  . LEU Axp A    157 ? 137.524 144.407 185.049 1   34.015  ? 191 A 1 c
ATOM 2517 H HB2  . LEU Axp A    157 ? 138.152 143.627 186.278 1   34.021  ? 191 A 1 c
ATOM 2518 H HG   . LEU Axp A    157 ? 138.543 146.39  185.684 1   33.656  ? 191 A 1 c
ATOM 2519 H HD11 . LEU Axp A    157 ? 138.552 146.352 187.978 1   33.86   ? 191 A 1 c
ATOM 2520 H HD12 . LEU Axp A    157 ? 140.063 146.454 187.519 1   33.885  ? 191 A 1 c
ATOM 2521 H HD13 . LEU Axp A    157 ? 139.478 145.065 188.009 1   33.912  ? 191 A 1 c
ATOM 2522 H HD21 . LEU Axp A    157 ? 139.861 144.82  184.484 1   33.055  ? 191 A 1 c
ATOM 2523 H HD22 . LEU Axp A    157 ? 140.516 144.372 185.858 1   33.053  ? 191 A 1 c
ATOM 2524 H HD23 . LEU Axp A    157 ? 140.733 145.848 185.32  1   33.053  ? 191 A 1 c
ATOM 2525 N N    . SER Axp A    158 ? 134.601 144.088 185.458 1   32.861  ? 192 A 1 .
ATOM 2526 C CA   . SER Axp A    158 ? 133.487 143.239 185.11  1   37.322  ? 192 A 1 .
ATOM 2527 C C    . SER Axp A    158 ? 133.549 142.859 183.64  1   39.536  ? 192 A 1 .
ATOM 2528 O O    . SER Axp A    158 ? 133.313 143.698 182.781 1   40.126  ? 192 A 1 .
ATOM 2529 C CB   . SER Axp A    158 ? 132.216 143.923 185.442 1   40.886  ? 192 A 1 .
ATOM 2530 O OG   . SER Axp A    158 ? 132.133 144.073 186.849 1   48.467  ? 192 A 1 .
ATOM 2531 H H    . SER Axp A    158 ? 134.729 144.871 185.003 1   33.795  ? 192 A 1 c
ATOM 2532 H HA   . SER Axp A    158 ? 133.543 142.409 185.647 1   37.431  ? 192 A 1 c
ATOM 2533 H HB3  . SER Axp A    158 ? 131.462 143.393 185.12  1   41.819  ? 192 A 1 c
ATOM 2534 H HB2  . SER Axp A    158 ? 132.192 144.792 185.019 1   41.72   ? 192 A 1 c
ATOM 2535 H HG   . SER Axp A    158 ? 131.403 144.505 186.998 0   29.38   ? 192 A 1 c
ATOM 2536 N N    . TRP Axp A    159 ? 133.82  141.577 183.36  1   42.26   ? 193 A 1 .
ATOM 2537 C CA   . TRP Axp A    159 ? 133.927 141.146 181.976 1   43.485  ? 193 A 1 .
ATOM 2538 C C    . TRP Axp A    159 ? 132.648 140.484 181.466 1   40.101  ? 193 A 1 .
ATOM 2539 O O    . TRP Axp A    159 ? 132.245 139.422 181.942 1   35.293  ? 193 A 1 .
ATOM 2540 C CB   . TRP Axp A    159 ? 135.099 140.192 181.732 1   45.984  ? 193 A 1 .
ATOM 2541 C CG   . TRP Axp A    159 ? 135.031 139.767 180.294 1   46.163  ? 193 A 1 .
ATOM 2542 C CD1  . TRP Axp A    159 ? 134.235 138.803 179.743 1   49.852  ? 193 A 1 .
ATOM 2543 C CD2  . TRP Axp A    159 ? 135.689 140.407 179.195 1   43.916  ? 193 A 1 .
ATOM 2544 N NE1  . TRP Axp A    159 ? 134.396 138.759 178.386 1   46.849  ? 193 A 1 .
ATOM 2545 C CE2  . TRP Axp A    159 ? 135.279 139.739 178.025 1   47.539  ? 193 A 1 .
ATOM 2546 C CE3  . TRP Axp A    159 ? 136.589 141.462 179.091 1   46.993  ? 193 A 1 .
ATOM 2547 C CZ2  . TRP Axp A    159 ? 135.75  140.106 176.768 1   50.92   ? 193 A 1 .
ATOM 2548 C CZ3  . TRP Axp A    159 ? 137.053 141.818 177.847 1   50.108  ? 193 A 1 .
ATOM 2549 C CH2  . TRP Axp A    159 ? 136.644 141.147 176.7   1   49.378  ? 193 A 1 .
ATOM 2550 H H    . TRP Axp A    159 ? 133.938 140.969 184.031 1   41.799  ? 193 A 1 c
ATOM 2551 H HA   . TRP Axp A    159 ? 134.093 141.953 181.424 1   42.964  ? 193 A 1 c
ATOM 2552 H HB3  . TRP Axp A    159 ? 135.009 139.409 182.313 1   45.306  ? 193 A 1 c
ATOM 2553 H HB2  . TRP Axp A    159 ? 135.942 140.665 181.897 1   45.421  ? 193 A 1 c
ATOM 2554 H HD1  . TRP Axp A    159 ? 133.682 138.214 180.226 1   48.049  ? 193 A 1 c
ATOM 2555 H HE1  . TRP Axp A    159 ? 134.007 138.199 177.848 1   47.778  ? 193 A 1 c
ATOM 2556 H HE3  . TRP Axp A    159 ? 136.883 141.916 179.863 1   47.011  ? 193 A 1 c
ATOM 2557 H HZ2  . TRP Axp A    159 ? 135.465 139.656 175.992 1   49.745  ? 193 A 1 c
ATOM 2558 H HZ3  . TRP Axp A    159 ? 137.664 142.531 177.77  1   49.124  ? 193 A 1 c
ATOM 2559 H HH2  . TRP Axp A    159 ? 136.97  141.421 175.861 1   49.984  ? 193 A 1 c
ATOM 2560 N N    . ILE Axp A    160 ? 132.08  141.101 180.43  1   40.766  ? 194 A 1 .
ATOM 2561 C CA   . ILE Axp A    160 ? 130.891 140.607 179.767 1   46.676  ? 194 A 1 .
ATOM 2562 C C    . ILE Axp A    160 ? 131.279 140.407 178.307 1   48.982  ? 194 A 1 .
ATOM 2563 O O    . ILE Axp A    160 ? 131.623 141.354 177.601 1   50.7    ? 194 A 1 .
ATOM 2564 C CB   . ILE Axp A    160 ? 129.711 141.596 179.932 1   54.549  ? 194 A 1 .
ATOM 2565 C CG1  . ILE Axp A    160 ? 128.966 141.442 181.245 1   53.668  ? 194 A 1 .
ATOM 2566 C CG2  . ILE Axp A    160 ? 128.721 141.491 178.771 1   66.014  ? 194 A 1 .
ATOM 2567 C CD1  . ILE Axp A    160 ? 129.841 141.552 182.473 1   62.153  ? 194 A 1 .
ATOM 2568 H H    . ILE Axp A    160 ? 132.455 141.875 180.121 1   41.942  ? 194 A 1 c
ATOM 2569 H HA   . ILE Axp A    160 ? 130.64  139.747 180.155 1   47.093  ? 194 A 1 c
ATOM 2570 H HB   . ILE Axp A    160 ? 130.085 142.499 179.916 1   54.669  ? 194 A 1 c
ATOM 2571 H HG12 . ILE Axp A    160 ? 128.523 140.569 181.253 1   55.726  ? 194 A 1 c
ATOM 2572 H HG13 . ILE Axp A    160 ? 128.271 142.13  181.294 1   55.761  ? 194 A 1 c
ATOM 2573 H HG21 . ILE Axp A    160 ? 127.873 141.89  179.029 1   62.253  ? 194 A 1 c
ATOM 2574 H HG22 . ILE Axp A    160 ? 128.578 140.556 178.545 1   62.276  ? 194 A 1 c
ATOM 2575 H HG23 . ILE Axp A    160 ? 129.072 141.961 177.996 1   62.222  ? 194 A 1 c
ATOM 2576 H HD11 . ILE Axp A    160 ? 130.209 140.677 182.692 1   59.141  ? 194 A 1 c
ATOM 2577 H HD12 . ILE Axp A    160 ? 129.304 141.87  183.222 1   59.444  ? 194 A 1 c
ATOM 2578 H HD13 . ILE Axp A    160 ? 130.569 142.181 182.308 1   59.183  ? 194 A 1 c
ATOM 2579 N N    . GLY Axp A    161 ? 131.232 139.167 177.842 1   50.563  ? 195 A 1 .
ATOM 2580 C CA   . GLY Axp A    161 ? 131.532 138.94  176.446 1   56.449  ? 195 A 1 .
ATOM 2581 C C    . GLY Axp A    161 ? 132.21  137.596 176.263 1   61.954  ? 195 A 1 .
ATOM 2582 O O    . GLY Axp A    161 ? 132.299 136.839 177.224 1   60.774  ? 195 A 1 .
ATOM 2583 H H    . GLY Axp A    161 ? 131.016 138.464 178.384 1   51.428  ? 195 A 1 c
ATOM 2584 H HA3  . GLY Axp A    161 ? 132.122 139.655 176.113 1   56.062  ? 195 A 1 c
ATOM 2585 H HA2  . GLY Axp A    161 ? 130.695 138.964 175.925 1   56.123  ? 195 A 1 c
ATOM 2586 N N    . ASP Axp A    162 ? 132.659 137.326 175.027 1   64.817  ? 196 A 1 .
ATOM 2587 C CA   . ASP Axp A    162 ? 133.263 136.046 174.703 1   66.24   ? 196 A 1 .
ATOM 2588 C C    . ASP Axp A    162 ? 134.632 136.061 175.364 1   58.585  ? 196 A 1 .
ATOM 2589 O O    . ASP Axp A    162 ? 135.083 137.109 175.78  1   56.541  ? 196 A 1 .
ATOM 2590 C CB   . ASP Axp A    162 ? 133.345 135.801 173.206 1   71.407  ? 196 A 1 .
ATOM 2591 C CG   . ASP Axp A    162 ? 134.74  135.943 172.622 1   82.793  ? 196 A 1 .
ATOM 2592 O OD1  . ASP Axp A    162 ? 135.549 135.01  172.814 1   78.463  ? 196 A 1 .
ATOM 2593 O OD2  . ASP Axp A    162 ? 135.007 136.998 172.006 1   107.225 ? 196 A 1 .
ATOM 2594 H H    . ASP Axp A    162 ? 132.596 137.965 174.376 1   64.725  ? 196 A 1 c
ATOM 2595 H HA   . ASP Axp A    162 ? 132.72  135.331 175.108 1   65.348  ? 196 A 1 c
ATOM 2596 H HB3  . ASP Axp A    162 ? 132.75  136.418 172.733 1   73.1    ? 196 A 1 c
ATOM 2597 H HB2  . ASP Axp A    162 ? 133.044 134.887 173.026 1   72.909  ? 196 A 1 c
ATOM 2598 N N    . GLY Axp A    163 ? 135.291 134.917 175.474 1   58.464  ? 197 A 1 .
ATOM 2599 C CA   . GLY Axp A    163 ? 136.542 134.851 176.214 1   60.86   ? 197 A 1 .
ATOM 2600 C C    . GLY Axp A    163 ? 137.751 134.911 175.287 1   60.126  ? 197 A 1 .
ATOM 2601 O O    . GLY Axp A    163 ? 138.4   133.883 175.063 1   70.957  ? 197 A 1 .
ATOM 2602 H H    . GLY Axp A    163 ? 134.962 134.159 175.083 1   59.067  ? 197 A 1 c
ATOM 2603 H HA3  . GLY Axp A    163 ? 136.565 134.009 176.727 1   60.1    ? 197 A 1 c
ATOM 2604 H HA2  . GLY Axp A    163 ? 136.582 135.596 176.857 1   60.031  ? 197 A 1 c
ATOM 2605 N N    . ASN Axp A    164 ? 138.059 136.126 174.812 1   50.698  ? 198 A 1 .
ATOM 2606 C CA   . ASN Axp A    164 ? 139.108 136.358 173.837 1   49.987  ? 198 A 1 .
ATOM 2607 C C    . ASN Axp A    164 ? 140.403 136.863 174.478 1   49.349  ? 198 A 1 .
ATOM 2608 O O    . ASN Axp A    164 ? 140.518 137.002 175.7   1   46.969  ? 198 A 1 .
ATOM 2609 C CB   . ASN Axp A    164 ? 138.64  137.356 172.798 1   51.371  ? 198 A 1 .
ATOM 2610 C CG   . ASN Axp A    164 ? 138.198 138.651 173.439 1   62.397  ? 198 A 1 .
ATOM 2611 O OD1  . ASN Axp A    164 ? 138.902 139.233 174.279 1   61.362  ? 198 A 1 .
ATOM 2612 N ND2  . ASN Axp A    164 ? 137.031 139.131 173.038 1   74.575  ? 198 A 1 .
ATOM 2613 H H    . ASN Axp A    164 ? 137.589 136.845 175.123 1   52.799  ? 198 A 1 c
ATOM 2614 H HA   . ASN Axp A    164 ? 139.297 135.512 173.372 1   50.412  ? 198 A 1 c
ATOM 2615 H HB3  . ASN Axp A    164 ? 137.891 136.972 172.3   1   53.483  ? 198 A 1 c
ATOM 2616 H HB2  . ASN Axp A    164 ? 139.361 137.539 172.165 1   53.334  ? 198 A 1 c
ATOM 2617 H HD21 . ASN Axp A    164 ? 136.463 139.465 173.631 1   70.588  ? 198 A 1 c
ATOM 2618 H HD22 . ASN Axp A    164 ? 136.819 139.117 172.177 1   70.588  ? 198 A 1 c
ATOM 2619 N N    . ASN Axp A    165 ? 141.376 137.118 173.593 1   49.656  ? 199 A 1 .
ATOM 2620 C CA   . ASN Axp A    165 ? 142.696 137.624 173.929 1   51.949  ? 199 A 1 .
ATOM 2621 C C    . ASN Axp A    165 ? 142.63  138.653 175.052 1   56.727  ? 199 A 1 .
ATOM 2622 O O    . ASN Axp A    165 ? 143.369 138.566 176.04  1   68.032  ? 199 A 1 .
ATOM 2623 C CB   . ASN Axp A    165 ? 143.359 138.262 172.714 1   51.174  ? 199 A 1 .
ATOM 2624 C CG   . ASN Axp A    165 ? 142.354 138.948 171.817 1   50.001  ? 199 A 1 .
ATOM 2625 O OD1  . ASN Axp A    165 ? 141.38  139.521 172.302 1   50.457  ? 199 A 1 .
ATOM 2626 N ND2  . ASN Axp A    165 ? 142.527 138.867 170.509 1   51.969  ? 199 A 1 .
ATOM 2627 H H    . ASN Axp A    165 ? 141.214 136.917 172.717 1   50.141  ? 199 A 1 c
ATOM 2628 H HA   . ASN Axp A    165 ? 143.252 136.872 174.219 1   52.18   ? 199 A 1 c
ATOM 2629 H HB3  . ASN Axp A    165 ? 143.829 137.573 172.202 1   51.057  ? 199 A 1 c
ATOM 2630 H HB2  . ASN Axp A    165 ? 144.015 138.918 173.014 1   51.127  ? 199 A 1 c
ATOM 2631 H HD21 . ASN Axp A    165 ? 141.822 138.837 169.97  1   51.355  ? 199 A 1 c
ATOM 2632 H HD22 . ASN Axp A    165 ? 143.347 138.843 170.171 1   51.355  ? 199 A 1 c
ATOM 2633 N N    . ILE Axp A    166 ? 141.751 139.648 174.874 1   51.58   ? 200 A 1 .
ATOM 2634 C CA   . ILE Axp A    166 ? 141.679 140.755 175.806 1   48.053  ? 200 A 1 .
ATOM 2635 C C    . ILE Axp A    166 ? 141.474 140.205 177.207 1   49.84   ? 200 A 1 .
ATOM 2636 O O    . ILE Axp A    166 ? 142.387 140.267 178.038 1   48.152  ? 200 A 1 .
ATOM 2637 C CB   . ILE Axp A    166 ? 140.57  141.735 175.427 1   45.656  ? 200 A 1 .
ATOM 2638 C CG1  . ILE Axp A    166 ? 140.922 142.469 174.154 1   48.092  ? 200 A 1 .
ATOM 2639 C CG2  . ILE Axp A    166 ? 140.339 142.696 176.581 1   46.033  ? 200 A 1 .
ATOM 2640 C CD1  . ILE Axp A    166 ? 139.772 143.252 173.564 1   49.987  ? 200 A 1 .
ATOM 2641 H H    . ILE Axp A    166 ? 141.177 139.628 174.163 1   51.791  ? 200 A 1 c
ATOM 2642 H HA   . ILE Axp A    166 ? 142.531 141.232 175.782 1   48.587  ? 200 A 1 c
ATOM 2643 H HB   . ILE Axp A    166 ? 139.749 141.231 175.275 1   46.781  ? 200 A 1 c
ATOM 2644 H HG12 . ILE Axp A    166 ? 141.234 141.821 173.49  1   48.004  ? 200 A 1 c
ATOM 2645 H HG13 . ILE Axp A    166 ? 141.659 143.085 174.341 1   47.956  ? 200 A 1 c
ATOM 2646 H HG21 . ILE Axp A    166 ? 139.83  143.463 176.27  1   46.006  ? 200 A 1 c
ATOM 2647 H HG22 . ILE Axp A    166 ? 141.194 142.999 176.93  1   45.988  ? 200 A 1 c
ATOM 2648 H HG23 . ILE Axp A    166 ? 139.843 142.249 177.286 1   46.039  ? 200 A 1 c
ATOM 2649 H HD11 . ILE Axp A    166 ? 138.934 142.777 173.721 1   49.371  ? 200 A 1 c
ATOM 2650 H HD12 . ILE Axp A    166 ? 139.909 143.357 172.604 1   49.402  ? 200 A 1 c
ATOM 2651 H HD13 . ILE Axp A    166 ? 139.728 144.132 173.983 1   49.384  ? 200 A 1 c
ATOM 2652 N N    . LEU Axp A    167 ? 140.281 139.639 177.421 1   52.905  ? 201 A 1 .
ATOM 2653 C CA   . LEU Axp A    167 ? 139.917 139.043 178.697 1   55.705  ? 201 A 1 .
ATOM 2654 C C    . LEU Axp A    167 ? 141.126 138.334 179.285 1   50.485  ? 201 A 1 .
ATOM 2655 O O    . LEU Axp A    167 ? 141.479 138.569 180.44  1   49.938  ? 201 A 1 .
ATOM 2656 C CB   . LEU Axp A    167 ? 138.758 138.062 178.557 1   54.376  ? 201 A 1 .
ATOM 2657 C CG   . LEU Axp A    167 ? 137.936 137.861 179.829 1   56.004  ? 201 A 1 .
ATOM 2658 C CD1  . LEU Axp A    167 ? 136.902 136.792 179.566 1   60.838  ? 201 A 1 .
ATOM 2659 C CD2  . LEU Axp A    167 ? 138.793 137.521 181.032 1   54.54   ? 201 A 1 .
ATOM 2660 H H    . LEU Axp A    167 ? 139.673 139.612 176.739 1   52.662  ? 201 A 1 c
ATOM 2661 H HA   . LEU Axp A    167 ? 139.651 139.772 179.313 1   53.896  ? 201 A 1 c
ATOM 2662 H HB3  . LEU Axp A    167 ? 139.117 137.19  178.275 1   54.977  ? 201 A 1 c
ATOM 2663 H HB2  . LEU Axp A    167 ? 138.158 138.39  177.848 1   55.002  ? 201 A 1 c
ATOM 2664 H HG   . LEU Axp A    167 ? 137.463 138.707 180.026 1   56.159  ? 201 A 1 c
ATOM 2665 H HD11 . LEU Axp A    167 ? 136.418 137.002 178.75  1   59.261  ? 201 A 1 c
ATOM 2666 H HD12 . LEU Axp A    167 ? 136.278 136.753 180.311 1   59.337  ? 201 A 1 c
ATOM 2667 H HD13 . LEU Axp A    167 ? 137.342 135.931 179.469 1   59.337  ? 201 A 1 c
ATOM 2668 H HD21 . LEU Axp A    167 ? 139.069 138.341 181.476 1   54.852  ? 201 A 1 c
ATOM 2669 H HD22 . LEU Axp A    167 ? 139.574 137.035 180.741 1   54.615  ? 201 A 1 c
ATOM 2670 H HD23 . LEU Axp A    167 ? 138.283 136.974 181.652 1   54.853  ? 201 A 1 c
ATOM 2671 N N    . HIS Axp A    168 ? 141.723 137.471 178.459 1   49.441  ? 202 A 1 .
ATOM 2672 C CA   . HIS Axp A    168 ? 142.933 136.757 178.819 1   51.367  ? 202 A 1 .
ATOM 2673 C C    . HIS Axp A    168 ? 143.908 137.737 179.473 1   49.001  ? 202 A 1 .
ATOM 2674 O O    . HIS Axp A    168 ? 144.244 137.582 180.656 1   52.013  ? 202 A 1 .
ATOM 2675 C CB   . HIS Axp A    168 ? 143.53  136.033 177.602 1   55.586  ? 202 A 1 .
ATOM 2676 C CG   . HIS Axp A    168 ? 142.665 135.013 176.915 1   59.101  ? 202 A 1 .
ATOM 2677 N ND1  . HIS Axp A    168 ? 142.884 134.588 175.625 1   62.459  ? 202 A 1 .
ATOM 2678 C CD2  . HIS Axp A    168 ? 141.617 134.296 177.339 1   63.164  ? 202 A 1 .
ATOM 2679 C CE1  . HIS Axp A    168 ? 141.988 133.659 175.295 1   61.413  ? 202 A 1 .
ATOM 2680 N NE2  . HIS Axp A    168 ? 141.212 133.454 176.326 1   56.88   ? 202 A 1 .
ATOM 2681 H H    . HIS Axp A    168 ? 141.358 137.322 177.634 1   50.308  ? 202 A 1 c
ATOM 2682 H HA   . HIS Axp A    168 ? 142.685 136.077 179.493 1   51.281  ? 202 A 1 c
ATOM 2683 H HB3  . HIS Axp A    168 ? 144.359 135.591 177.888 1   55.392  ? 202 A 1 c
ATOM 2684 H HB2  . HIS Axp A    168 ? 143.799 136.705 176.944 1   55.419  ? 202 A 1 c
ATOM 2685 H HD1  . HIS Axp A    168 ? 143.613 134.905 175.148 0   43.56   ? 202 A 1 c
ATOM 2686 H HD2  . HIS Axp A    168 ? 141.226 134.342 178.19  1   60.722  ? 202 A 1 c
ATOM 2687 H HE1  . HIS Axp A    168 ? 141.927 133.225 174.461 1   60.545  ? 202 A 1 c
ATOM 2688 H HE2  . HIS Axp A    168 ? 140.535 133.013 176.349 0   45.53   ? 202 A 1 c
ATOM 2689 N N    . SER Axp A    169 ? 144.333 138.756 178.705 1   44.849  ? 203 A 1 .
ATOM 2690 C CA   . SER Axp A    169 ? 145.36  139.68  179.164 1   48.179  ? 203 A 1 .
ATOM 2691 C C    . SER Axp A    169 ? 144.951 140.302 180.505 1   45.931  ? 203 A 1 .
ATOM 2692 O O    . SER Axp A    169 ? 145.703 140.282 181.482 1   47.43   ? 203 A 1 .
ATOM 2693 C CB   . SER Axp A    169 ? 145.676 140.71  178.108 1   47.627  ? 203 A 1 .
ATOM 2694 O OG   . SER Axp A    169 ? 146.629 140.211 177.17  1   40.617  ? 203 A 1 .
ATOM 2695 H H    . SER Axp A    169 ? 143.972 138.872 177.874 1   46.717  ? 203 A 1 c
ATOM 2696 H HA   . SER Axp A    169 ? 146.183 139.151 179.322 1   46.958  ? 203 A 1 c
ATOM 2697 H HB3  . SER Axp A    169 ? 146.033 141.512 178.536 1   45.975  ? 203 A 1 c
ATOM 2698 H HB2  . SER Axp A    169 ? 144.857 140.956 177.639 1   45.989  ? 203 A 1 c
ATOM 2699 H HG   . SER Axp A    169 ? 146.235 140.931 176.465 0   27.02   ? 203 A 1 c
ATOM 2700 N N    . ILE Axp A    170 ? 143.72  140.791 180.576 1   42.734  ? 204 A 1 .
ATOM 2701 C CA   . ILE Axp A    170 ? 143.186 141.234 181.853 1   41.274  ? 204 A 1 .
ATOM 2702 C C    . ILE Axp A    170 ? 143.572 140.235 182.941 1   41.136  ? 204 A 1 .
ATOM 2703 O O    . ILE Axp A    170 ? 144.223 140.624 183.909 1   40.35   ? 204 A 1 .
ATOM 2704 C CB   . ILE Axp A    170 ? 141.661 141.394 181.808 1   38.523  ? 204 A 1 .
ATOM 2705 C CG1  . ILE Axp A    170 ? 141.233 142.371 180.73  1   38.63   ? 204 A 1 .
ATOM 2706 C CG2  . ILE Axp A    170 ? 141.164 141.819 183.178 1   37.585  ? 204 A 1 .
ATOM 2707 C CD1  . ILE Axp A    170 ? 139.74  142.606 180.641 1   37.305  ? 204 A 1 .
ATOM 2708 H H    . ILE Axp A    170 ? 143.203 140.847 179.825 1   43.07   ? 204 A 1 c
ATOM 2709 H HA   . ILE Axp A    170 ? 143.582 142.1   182.069 1   40.908  ? 204 A 1 c
ATOM 2710 H HB   . ILE Axp A    170 ? 141.269 140.527 181.599 1   38.943  ? 204 A 1 c
ATOM 2711 H HG12 . ILE Axp A    170 ? 141.544 142.041 179.864 1   38.403  ? 204 A 1 c
ATOM 2712 H HG13 . ILE Axp A    170 ? 141.674 143.229 180.896 1   38.318  ? 204 A 1 c
ATOM 2713 H HG21 . ILE Axp A    170 ? 140.195 141.757 183.207 1   37.931  ? 204 A 1 c
ATOM 2714 H HG22 . ILE Axp A    170 ? 141.431 142.738 183.35  1   37.823  ? 204 A 1 c
ATOM 2715 H HG23 . ILE Axp A    170 ? 141.544 141.242 183.859 1   37.939  ? 204 A 1 c
ATOM 2716 H HD11 . ILE Axp A    170 ? 139.267 141.763 180.777 1   37.685  ? 204 A 1 c
ATOM 2717 H HD12 . ILE Axp A    170 ? 139.517 142.963 179.761 1   37.685  ? 204 A 1 c
ATOM 2718 H HD13 . ILE Axp A    170 ? 139.467 143.244 181.328 1   37.663  ? 204 A 1 c
ATOM 2719 N N    . MET Axp A    171 ? 143.135 138.976 182.757 1   40.17   ? 205 A 1 .
ATOM 2720 C CA   . MET Axp A    171 ? 143.338 137.893 183.709 1   42.232  ? 205 A 1 .
ATOM 2721 C C    . MET Axp A    171 ? 144.8   137.807 184.121 1   43.051  ? 205 A 1 .
ATOM 2722 O O    . MET Axp A    171 ? 145.169 137.839 185.304 1   45.635  ? 205 A 1 .
ATOM 2723 C CB   . MET Axp A    171 ? 142.982 136.529 183.113 1   44.53   ? 205 A 1 .
ATOM 2724 C CG   . MET Axp A    171 ? 141.512 136.348 182.81  1   46.496  ? 205 A 1 .
ATOM 2725 S SD   . MET Axp A    171 ? 141.124 134.599 182.574 1   44.972  ? 205 A 1 .
ATOM 2726 C CE   . MET Axp A    171 ? 140.163 134.701 181.062 1   46.932  ? 205 A 1 .
ATOM 2727 H H    . MET Axp A    171 ? 142.688 138.784 181.983 1   40.895  ? 205 A 1 c
ATOM 2728 H HA   . MET Axp A    171 ? 142.782 138.065 184.511 1   42.372  ? 205 A 1 c
ATOM 2729 H HB3  . MET Axp A    171 ? 143.262 135.833 183.742 1   44.555  ? 205 A 1 c
ATOM 2730 H HB2  . MET Axp A    171 ? 143.492 136.401 182.287 1   44.496  ? 205 A 1 c
ATOM 2731 H HG3  . MET Axp A    171 ? 141.282 136.84  182.005 1   45.875  ? 205 A 1 c
ATOM 2732 H HG2  . MET Axp A    171 ? 140.976 136.7   183.549 1   45.758  ? 205 A 1 c
ATOM 2733 H HE3  . MET Axp A    171 ? 140.531 135.397 180.488 1   46.682  ? 205 A 1 c
ATOM 2734 H HE2  . MET Axp A    171 ? 139.233 134.895 181.279 1   46.808  ? 205 A 1 c
ATOM 2735 H HE1  . MET Axp A    171 ? 140.218 133.85  180.591 1   46.82   ? 205 A 1 c
ATOM 2736 N N    . MET Axp A    172 ? 145.652 137.766 183.114 1   42.183  ? 206 A 1 .
ATOM 2737 C CA   . MET Axp A    172 ? 147.071 137.688 183.386 1   46.169  ? 206 A 1 .
ATOM 2738 C C    . MET Axp A    172 ? 147.621 138.922 184.114 1   44.326  ? 206 A 1 .
ATOM 2739 O O    . MET Axp A    172 ? 148.832 138.984 184.325 1   40.541  ? 206 A 1 .
ATOM 2740 C CB   . MET Axp A    172 ? 147.816 137.554 182.061 1   50.222  ? 206 A 1 .
ATOM 2741 C CG   . MET Axp A    172 ? 147.488 136.298 181.307 1   53.194  ? 206 A 1 .
ATOM 2742 S SD   . MET Axp A    172 ? 148.058 134.839 182.196 1   52.419  ? 206 A 1 .
ATOM 2743 C CE   . MET Axp A    172 ? 146.447 134.259 182.749 1   69.653  ? 206 A 1 .
ATOM 2744 H H    . MET Axp A    172 ? 145.356 137.802 182.249 1   43.41   ? 206 A 1 c
ATOM 2745 H HA   . MET Axp A    172 ? 147.239 136.888 183.946 1   45.729  ? 206 A 1 c
ATOM 2746 H HB3  . MET Axp A    172 ? 148.781 137.575 182.239 1   49.839  ? 206 A 1 c
ATOM 2747 H HB2  . MET Axp A    172 ? 147.599 138.329 181.5   1   49.912  ? 206 A 1 c
ATOM 2748 H HG3  . MET Axp A    172 ? 147.922 136.324 180.435 1   52.369  ? 206 A 1 c
ATOM 2749 H HG2  . MET Axp A    172 ? 146.525 136.237 181.166 1   52.374  ? 206 A 1 c
ATOM 2750 H HE3  . MET Axp A    172 ? 145.757 134.572 182.137 1   64.669  ? 206 A 1 c
ATOM 2751 H HE2  . MET Axp A    172 ? 146.269 134.602 183.645 1   64.821  ? 206 A 1 c
ATOM 2752 H HE1  . MET Axp A    172 ? 146.442 133.284 182.767 1   64.837  ? 206 A 1 c
ATOM 2753 N N    . SER Axp A    173 ? 146.782 139.912 184.474 1   41.352  ? 207 A 1 .
ATOM 2754 C CA   . SER Axp A    173 ? 147.304 141.211 184.886 1   35.293  ? 207 A 1 .
ATOM 2755 C C    . SER Axp A    173 ? 146.475 141.85  185.985 1   34.382  ? 207 A 1 .
ATOM 2756 O O    . SER Axp A    173 ? 147.046 142.579 186.793 1   32.242  ? 207 A 1 .
ATOM 2757 C CB   . SER Axp A    173 ? 147.408 142.171 183.734 1   32.576  ? 207 A 1 .
ATOM 2758 O OG   . SER Axp A    173 ? 146.148 142.285 183.088 1   31.711  ? 207 A 1 .
ATOM 2759 H H    . SER Axp A    173 ? 145.88  139.779 184.455 1   40.439  ? 207 A 1 c
ATOM 2760 H HA   . SER Axp A    173 ? 148.214 141.073 185.244 1   35.819  ? 207 A 1 c
ATOM 2761 H HB3  . SER Axp A    173 ? 148.074 141.845 183.098 1   32.953  ? 207 A 1 c
ATOM 2762 H HB2  . SER Axp A    173 ? 147.692 143.045 184.06  1   32.914  ? 207 A 1 c
ATOM 2763 H HG   . SER Axp A    173 ? 146.256 142.834 182.41  0   22.86   ? 207 A 1 c
ATOM 2764 N N    . ALA Axp A    174 ? 145.151 141.633 185.96  1   33.57   ? 208 A 1 .
ATOM 2765 C CA   . ALA Axp A    174 ? 144.252 142.33  186.866 1   32.922  ? 208 A 1 .
ATOM 2766 C C    . ALA Axp A    174 ? 144.67  142.083 188.31  1   32.243  ? 208 A 1 .
ATOM 2767 O O    . ALA Axp A    174 ? 144.774 142.995 189.131 1   27.382  ? 208 A 1 .
ATOM 2768 C CB   . ALA Axp A    174 ? 142.834 141.894 186.637 1   33.284  ? 208 A 1 .
ATOM 2769 H H    . ALA Axp A    174 ? 144.797 141.045 185.358 1   33.836  ? 208 A 1 c
ATOM 2770 H HA   . ALA Axp A    174 ? 144.325 143.307 186.685 1   33.028  ? 208 A 1 c
ATOM 2771 H HB3  . ALA Axp A    174 ? 142.26  142.268 187.327 1   33.168  ? 208 A 1 c
ATOM 2772 H HB2  . ALA Axp A    174 ? 142.781 140.923 186.667 1   33.172  ? 208 A 1 c
ATOM 2773 H HB1  . ALA Axp A    174 ? 142.533 142.204 185.767 1   33.164  ? 208 A 1 c
ATOM 2774 N N    . ALA Axp A    175 ? 144.966 140.827 188.597 1   35.196  ? 209 A 1 .
ATOM 2775 C CA   . ALA Axp A    175 ? 145.269 140.495 189.968 1   40.798  ? 209 A 1 .
ATOM 2776 C C    . ALA Axp A    175 ? 146.597 141.111 190.378 1   35.12   ? 209 A 1 .
ATOM 2777 O O    . ALA Axp A    175 ? 146.764 141.531 191.504 1   30.466  ? 209 A 1 .
ATOM 2778 C CB   . ALA Axp A    175 ? 145.275 139.005 190.12  1   49.709  ? 209 A 1 .
ATOM 2779 H H    . ALA Axp A    175 ? 144.975 140.178 187.953 1   35.759  ? 209 A 1 c
ATOM 2780 H HA   . ALA Axp A    175 ? 144.555 140.878 190.548 1   40.059  ? 209 A 1 c
ATOM 2781 H HB3  . ALA Axp A    175 ? 145.583 138.768 191.011 1   46.921  ? 209 A 1 c
ATOM 2782 H HB2  . ALA Axp A    175 ? 145.869 138.612 189.459 1   46.877  ? 209 A 1 c
ATOM 2783 H HB1  . ALA Axp A    175 ? 144.376 138.66  189.989 1   46.87   ? 209 A 1 c
ATOM 2784 N N    . LYS Axp A    176 ? 147.553 141.143 189.46  1   36.953  ? 210 A 1 .
ATOM 2785 C CA   . LYS Axp A    176 ? 148.856 141.686 189.798 1   41.651  ? 210 A 1 .
ATOM 2786 C C    . LYS Axp A    176 ? 148.69  143.076 190.404 1   40.306  ? 210 A 1 .
ATOM 2787 O O    . LYS Axp A    176 ? 149.481 143.462 191.265 1   33.865  ? 210 A 1 .
ATOM 2788 C CB   . LYS Axp A    176 ? 149.805 141.749 188.592 1   47.729  ? 210 A 1 .
ATOM 2789 C CG   . LYS Axp A    176 ? 150.594 140.486 188.204 1   47.96   ? 210 A 1 .
ATOM 2790 C CD   . LYS Axp A    176 ? 149.848 139.514 187.287 1   48.756  ? 210 A 1 .
ATOM 2791 C CE   . LYS Axp A    176 ? 150.779 138.605 186.504 1   48.895  ? 210 A 1 .
ATOM 2792 N NZ   . LYS Axp A    176 ? 151.666 139.251 185.531 1   46.605  ? 210 A 1 .
ATOM 2793 H H    . LYS Axp A    176 ? 147.405 140.819 188.619 1   37.625  ? 210 A 1 c
ATOM 2794 H HA   . LYS Axp A    176 ? 149.265 141.097 190.481 1   41.463  ? 210 A 1 c
ATOM 2795 H HB3  . LYS Axp A    176 ? 150.452 142.462 188.764 1   46.336  ? 210 A 1 c
ATOM 2796 H HB2  . LYS Axp A    176 ? 149.278 142.023 187.812 1   46.178  ? 210 A 1 c
ATOM 2797 H HG3  . LYS Axp A    176 ? 150.845 140.013 189.027 1   48.085  ? 210 A 1 c
ATOM 2798 H HG2  . LYS Axp A    176 ? 151.424 140.765 187.76  1   48.079  ? 210 A 1 c
ATOM 2799 H HD3  . LYS Axp A    176 ? 149.3   140.027 186.658 1   48.413  ? 210 A 1 c
ATOM 2800 H HD2  . LYS Axp A    176 ? 149.246 138.961 187.831 1   48.568  ? 210 A 1 c
ATOM 2801 H HE3  . LYS Axp A    176 ? 150.241 137.945 186.034 1   48.389  ? 210 A 1 c
ATOM 2802 H HE2  . LYS Axp A    176 ? 151.333 138.12  187.141 1   48.325  ? 210 A 1 c
ATOM 2803 H HZ1  . LYS Axp A    176 ? 152.395 139.578 185.956 1   47.297  ? 210 A 1 c
ATOM 2804 H HZ2  . LYS Axp A    176 ? 151.229 139.93  185.121 1   47.298  ? 210 A 1 c
ATOM 2805 H HZ3  . LYS Axp A    176 ? 151.93  138.647 184.909 1   47.298  ? 210 A 1 c
ATOM 2806 N N    . PHE Axp A    177 ? 147.677 143.813 189.917 1   45.316  ? 211 A 1 .
ATOM 2807 C CA   . PHE Axp A    177 ? 147.385 145.164 190.384 1   48.018  ? 211 A 1 .
ATOM 2808 C C    . PHE Axp A    177 ? 146.56  145.15  191.668 1   44.275  ? 211 A 1 .
ATOM 2809 O O    . PHE Axp A    177 ? 146.529 146.147 192.391 1   41.229  ? 211 A 1 .
ATOM 2810 C CB   . PHE Axp A    177 ? 146.665 145.973 189.305 1   47.048  ? 211 A 1 .
ATOM 2811 C CG   . PHE Axp A    177 ? 147.652 146.493 188.278 1   45.389  ? 211 A 1 .
ATOM 2812 C CD1  . PHE Axp A    177 ? 148.358 147.663 188.514 1   45.546  ? 211 A 1 .
ATOM 2813 C CD2  . PHE Axp A    177 ? 147.917 145.772 187.124 1   45.695  ? 211 A 1 .
ATOM 2814 C CE1  . PHE Axp A    177 ? 149.284 148.122 187.588 1   49.227  ? 211 A 1 .
ATOM 2815 C CE2  . PHE Axp A    177 ? 148.831 146.24  186.199 1   48.337  ? 211 A 1 .
ATOM 2816 C CZ   . PHE Axp A    177 ? 149.519 147.412 186.43  1   48.419  ? 211 A 1 .
ATOM 2817 H H    . PHE Axp A    177 ? 147.159 143.466 189.249 1   44.53   ? 211 A 1 c
ATOM 2818 H HA   . PHE Axp A    177 ? 148.25  145.614 190.579 1   46.481  ? 211 A 1 c
ATOM 2819 H HB3  . PHE Axp A    177 ? 146.202 146.732 189.726 1   46.828  ? 211 A 1 c
ATOM 2820 H HB2  . PHE Axp A    177 ? 146.001 145.4   188.861 1   46.689  ? 211 A 1 c
ATOM 2821 H HD1  . PHE Axp A    177 ? 148.198 148.155 189.303 1   46.373  ? 211 A 1 c
ATOM 2822 H HD2  . PHE Axp A    177 ? 147.448 144.972 186.956 1   46.142  ? 211 A 1 c
ATOM 2823 H HE1  . PHE Axp A    177 ? 149.742 148.931 187.744 1   48.279  ? 211 A 1 c
ATOM 2824 H HE2  . PHE Axp A    177 ? 148.989 145.749 185.411 1   47.489  ? 211 A 1 c
ATOM 2825 H HZ   . PHE Axp A    177 ? 150.143 147.729 185.8   1   48.259  ? 211 A 1 c
ATOM 2826 N N    . GLY Axp A    178 ? 145.908 144.017 191.929 1   41.216  ? 212 A 1 .
ATOM 2827 C CA   . GLY Axp A    178 ? 145.144 143.844 193.152 1   39.641  ? 212 A 1 .
ATOM 2828 C C    . GLY Axp A    178 ? 143.665 144.053 192.879 1   38.056  ? 212 A 1 .
ATOM 2829 O O    . GLY Axp A    178 ? 142.864 144.296 193.782 1   33.982  ? 212 A 1 .
ATOM 2830 H H    . GLY Axp A    178 ? 145.941 143.328 191.331 1   41.554  ? 212 A 1 c
ATOM 2831 H HA3  . GLY Axp A    178 ? 145.454 144.488 193.831 1   39.712  ? 212 A 1 c
ATOM 2832 H HA2  . GLY Axp A    178 ? 145.293 142.934 193.502 1   39.815  ? 212 A 1 c
ATOM 2833 N N    . MET Axp A    179 ? 143.313 143.898 191.607 1   40.267  ? 213 A 1 .
ATOM 2834 C CA   . MET Axp A    179 ? 141.95  144.148 191.186 1   43.599  ? 213 A 1 .
ATOM 2835 C C    . MET Axp A    179 ? 141.177 142.831 191.071 1   40.998  ? 213 A 1 .
ATOM 2836 O O    . MET Axp A    179 ? 141.723 141.76  190.817 1   35.075  ? 213 A 1 .
ATOM 2837 C CB   . MET Axp A    179 ? 141.928 144.89  189.845 1   45.255  ? 213 A 1 .
ATOM 2838 C CG   . MET Axp A    179 ? 142.708 146.186 189.822 1   42.275  ? 213 A 1 .
ATOM 2839 S SD   . MET Axp A    179 ? 142.411 146.991 188.233 1   42.199  ? 213 A 1 .
ATOM 2840 C CE   . MET Axp A    179 ? 143.353 146.015 187.059 1   40.808  ? 213 A 1 .
ATOM 2841 H H    . MET Axp A    179 ? 143.923 143.618 190.987 1   40.462  ? 213 A 1 c
ATOM 2842 H HA   . MET Axp A    179 ? 141.51  144.709 191.873 1   42.551  ? 213 A 1 c
ATOM 2843 H HB3  . MET Axp A    179 ? 140.996 145.08  189.613 1   43.922  ? 213 A 1 c
ATOM 2844 H HB2  . MET Axp A    179 ? 142.289 144.294 189.156 1   44.127  ? 213 A 1 c
ATOM 2845 H HG3  . MET Axp A    179 ? 143.664 146.007 189.925 1   42.955  ? 213 A 1 c
ATOM 2846 H HG2  . MET Axp A    179 ? 142.418 146.764 190.546 1   43.031  ? 213 A 1 c
ATOM 2847 H HE3  . MET Axp A    179 ? 142.756 145.397 186.598 1   41.145  ? 213 A 1 c
ATOM 2848 H HE2  . MET Axp A    179 ? 144.039 145.511 187.534 1   41.124  ? 213 A 1 c
ATOM 2849 H HE1  . MET Axp A    179 ? 143.775 146.607 186.409 1   41.145  ? 213 A 1 c
ATOM 2850 N N    . HIS Axp A    180 ? 139.864 142.943 191.225 1   40.731  ? 214 A 1 .
ATOM 2851 C CA   . HIS Axp A    180 ? 139.012 141.781 191.205 1   40.584  ? 214 A 1 .
ATOM 2852 C C    . HIS Axp A    180 ? 138.445 141.594 189.806 1   39.984  ? 214 A 1 .
ATOM 2853 O O    . HIS Axp A    180 ? 137.998 142.52  189.132 1   39.821  ? 214 A 1 .
ATOM 2854 C CB   . HIS Axp A    180 ? 137.883 141.955 192.213 1   46.809  ? 214 A 1 .
ATOM 2855 C CG   . HIS Axp A    180 ? 138.326 142.211 193.605 1   52.417  ? 214 A 1 .
ATOM 2856 N ND1  . HIS Axp A    180 ? 137.397 142.355 194.613 1   60.361  ? 214 A 1 .
ATOM 2857 C CD2  . HIS Axp A    180 ? 139.521 142.403 194.161 1   53.956  ? 214 A 1 .
ATOM 2858 C CE1  . HIS Axp A    180 ? 138.018 142.601 195.752 1   64.028  ? 214 A 1 .
ATOM 2859 N NE2  . HIS Axp A    180 ? 139.31  142.638 195.494 1   60.681  ? 214 A 1 .
ATOM 2860 H H    . HIS Axp A    180 ? 139.487 143.767 191.345 1   40.773  ? 214 A 1 c
ATOM 2861 H HA   . HIS Axp A    180 ? 139.544 140.982 191.444 1   41.532  ? 214 A 1 c
ATOM 2862 H HB3  . HIS Axp A    180 ? 137.326 141.147 192.201 1   46.449  ? 214 A 1 c
ATOM 2863 H HB2  . HIS Axp A    180 ? 137.328 142.697 191.924 1   46.098  ? 214 A 1 c
ATOM 2864 H HD1  . HIS Axp A    180 ? 136.635 142.23  194.67  0   47.67   ? 214 A 1 c
ATOM 2865 H HD2  . HIS Axp A    180 ? 140.355 142.374 193.737 1   54.884  ? 214 A 1 c
ATOM 2866 H HE1  . HIS Axp A    180 ? 137.614 142.73  196.594 1   62.225  ? 214 A 1 c
ATOM 2867 H HE2  . HIS Axp A    180 ? 140.142 142.837 196.022 0   48.61   ? 214 A 1 c
ATOM 2868 N N    . LEU Axp A    181 ? 138.435 140.34  189.393 1   42.419  ? 215 A 1 .
ATOM 2869 C CA   . LEU Axp A    181 ? 137.925 139.985 188.088 1   43.592  ? 215 A 1 .
ATOM 2870 C C    . LEU Axp A    181 ? 136.534 139.411 188.286 1   39.656  ? 215 A 1 .
ATOM 2871 O O    . LEU Axp A    181 ? 136.285 138.715 189.244 1   39.101  ? 215 A 1 .
ATOM 2872 C CB   . LEU Axp A    181 ? 138.896 138.949 187.523 1   46.005  ? 215 A 1 .
ATOM 2873 C CG   . LEU Axp A    181 ? 139.013 138.867 186.003 1   46.379  ? 215 A 1 .
ATOM 2874 C CD1  . LEU Axp A    181 ? 137.66  138.596 185.334 1   53.792  ? 215 A 1 .
ATOM 2875 C CD2  . LEU Axp A    181 ? 139.639 140.141 185.515 1   43.828  ? 215 A 1 .
ATOM 2876 H H    . LEU Axp A    181 ? 138.75  139.679 189.94  1   42.119  ? 215 A 1 c
ATOM 2877 H HA   . LEU Axp A    181 ? 137.893 140.786 187.507 1   43.007  ? 215 A 1 c
ATOM 2878 H HB3  . LEU Axp A    181 ? 138.626 138.064 187.858 1   45.547  ? 215 A 1 c
ATOM 2879 H HB2  . LEU Axp A    181 ? 139.791 139.134 187.891 1   45.473  ? 215 A 1 c
ATOM 2880 H HG   . LEU Axp A    181 ? 139.623 138.118 185.78  1   47.086  ? 215 A 1 c
ATOM 2881 H HD11 . LEU Axp A    181 ? 137.123 138.021 185.905 1   51.289  ? 215 A 1 c
ATOM 2882 H HD12 . LEU Axp A    181 ? 137.805 138.156 184.479 1   51.408  ? 215 A 1 c
ATOM 2883 H HD13 . LEU Axp A    181 ? 137.194 139.436 185.189 1   51.229  ? 215 A 1 c
ATOM 2884 H HD21 . LEU Axp A    181 ? 140.438 140.334 186.033 1   44.559  ? 215 A 1 c
ATOM 2885 H HD22 . LEU Axp A    181 ? 139.008 140.874 185.607 1   44.567  ? 215 A 1 c
ATOM 2886 H HD23 . LEU Axp A    181 ? 139.878 140.038 184.58  1   44.431  ? 215 A 1 c
ATOM 2887 N N    . GLN Axp A    182 ? 135.633 139.689 187.367 1   41.636  ? 216 A 1 .
ATOM 2888 C CA   . GLN Axp A    182 ? 134.325 139.082 187.398 1   45.036  ? 216 A 1 .
ATOM 2889 C C    . GLN Axp A    182 ? 133.999 138.774 185.937 1   44.316  ? 216 A 1 .
ATOM 2890 O O    . GLN Axp A    182 ? 133.466 139.64  185.241 1   49.235  ? 216 A 1 .
ATOM 2891 C CB   . GLN Axp A    182 ? 133.52  140.139 188.17  1   53.839  ? 216 A 1 .
ATOM 2892 C CG   . GLN Axp A    182 ? 132.467 139.615 189.151 1   59.394  ? 216 A 1 .
ATOM 2893 C CD   . GLN Axp A    182 ? 132.072 140.587 190.257 1   54.783  ? 216 A 1 .
ATOM 2894 O OE1  . GLN Axp A    182 ? 132.795 140.78  191.253 1   42.677  ? 216 A 1 .
ATOM 2895 N NE2  . GLN Axp A    182 ? 130.878 141.157 190.114 1   54.624  ? 216 A 1 .
ATOM 2896 H H    . GLN Axp A    182 ? 135.828 140.292 186.707 1   42.059  ? 216 A 1 c
ATOM 2897 H HA   . GLN Axp A    182 ? 134.369 138.237 187.912 1   45.782  ? 216 A 1 c
ATOM 2898 H HB3  . GLN Axp A    182 ? 133.075 140.716 187.517 1   52.838  ? 216 A 1 c
ATOM 2899 H HB2  . GLN Axp A    182 ? 134.15  140.702 188.668 1   52.709  ? 216 A 1 c
ATOM 2900 H HG3  . GLN Axp A    182 ? 132.809 138.802 189.576 1   57.391  ? 216 A 1 c
ATOM 2901 H HG2  . GLN Axp A    182 ? 131.664 139.369 188.654 1   57.292  ? 216 A 1 c
ATOM 2902 H HE21 . GLN Axp A    182 ? 130.816 142.037 190.021 1   54.673  ? 216 A 1 c
ATOM 2903 H HE22 . GLN Axp A    182 ? 130.146 140.656 190.11  1   54.673  ? 216 A 1 c
ATOM 2904 N N    . ALA Axp A    183 ? 134.424 137.593 185.447 1   39.355  ? 217 A 1 .
ATOM 2905 C CA   . ALA Axp A    183 ? 134.269 137.241 184.037 1   36.175  ? 217 A 1 .
ATOM 2906 C C    . ALA Axp A    183 ? 132.887 136.622 183.817 1   36.096  ? 217 A 1 .
ATOM 2907 O O    . ALA Axp A    183 ? 132.289 136.086 184.742 1   30.405  ? 217 A 1 .
ATOM 2908 C CB   . ALA Axp A    183 ? 135.403 136.35  183.565 1   31.571  ? 217 A 1 .
ATOM 2909 H H    . ALA Axp A    183 ? 134.816 136.99  186.011 1   39.685  ? 217 A 1 c
ATOM 2910 H HA   . ALA Axp A    183 ? 134.301 138.084 183.515 1   36.102  ? 217 A 1 c
ATOM 2911 H HB3  . ALA Axp A    183 ? 135.044 135.508 183.236 1   33.054  ? 217 A 1 c
ATOM 2912 H HB2  . ALA Axp A    183 ? 136.011 136.172 184.301 1   32.992  ? 217 A 1 c
ATOM 2913 H HB1  . ALA Axp A    183 ? 135.888 136.792 182.848 1   32.927  ? 217 A 1 c
ATOM 2914 N N    . ALA Axp A    184 ? 132.355 136.767 182.598 1   41.863  ? 218 A 1 .
ATOM 2915 C CA   . ALA Axp A    184 ? 131.036 136.243 182.259 1   50.326  ? 218 A 1 .
ATOM 2916 C C    . ALA Axp A    184 ? 130.92  135.996 180.752 1   60.812  ? 218 A 1 .
ATOM 2917 O O    . ALA Axp A    184 ? 130.804 136.925 179.952 1   68.655  ? 218 A 1 .
ATOM 2918 C CB   . ALA Axp A    184 ? 129.954 137.18  182.734 1   51.005  ? 218 A 1 .
ATOM 2919 H H    . ALA Axp A    184 ? 132.831 137.207 181.954 1   42.177  ? 218 A 1 c
ATOM 2920 H HA   . ALA Axp A    184 ? 130.927 135.373 182.723 1   50.402  ? 218 A 1 c
ATOM 2921 H HB3  . ALA Axp A    184 ? 129.195 137.14  182.128 1   51.006  ? 218 A 1 c
ATOM 2922 H HB2  . ALA Axp A    184 ? 130.294 138.089 182.76  1   50.938  ? 218 A 1 c
ATOM 2923 H HB1  . ALA Axp A    184 ? 129.666 136.92  183.625 1   51.077  ? 218 A 1 c
ATOM 2924 N N    . THR Axp A    185 ? 130.968 134.719 180.367 1   63.876  ? 219 A 1 .
ATOM 2925 C CA   . THR Axp A    185 ? 131.024 134.335 178.968 1   58.741  ? 219 A 1 .
ATOM 2926 C C    . THR Axp A    185 ? 130.005 133.245 178.745 1   58.489  ? 219 A 1 .
ATOM 2927 O O    . THR Axp A    185 ? 129.801 132.391 179.598 1   64.745  ? 219 A 1 .
ATOM 2928 C CB   . THR Axp A    185 ? 132.396 133.784 178.594 1   61.808  ? 219 A 1 .
ATOM 2929 O OG1  . THR Axp A    185 ? 132.474 132.497 179.207 1   52.021  ? 219 A 1 .
ATOM 2930 C CG2  . THR Axp A    185 ? 133.537 134.68  179.047 1   63.942  ? 219 A 1 .
ATOM 2931 H H    . THR Axp A    185 ? 130.968 134.06  181.001 1   61.72   ? 219 A 1 c
ATOM 2932 H HA   . THR Axp A    185 ? 130.814 135.11  178.407 1   60.267  ? 219 A 1 c
ATOM 2933 H HB   . THR Axp A    185 ? 132.451 133.678 177.615 1   59.594  ? 219 A 1 c
ATOM 2934 H HG1  . THR Axp A    185 ? 132.592 132.566 180.102 0   47.54   ? 219 A 1 c
ATOM 2935 H HG21 . THR Axp A    185 ? 134.229 134.692 178.365 1   63.272  ? 219 A 1 c
ATOM 2936 H HG22 . THR Axp A    185 ? 133.908 134.338 179.877 1   63.21   ? 219 A 1 c
ATOM 2937 H HG23 . THR Axp A    185 ? 133.208 135.583 179.189 1   63.232  ? 219 A 1 c
ATOM 2938 N N    . PRO Axp A    186 ? 129.399 133.201 177.556 1   59.331  ? 220 A 1 .
ATOM 2939 C CA   . PRO Axp A    186 ? 128.387 132.195 177.265 1   69.815  ? 220 A 1 .
ATOM 2940 C C    . PRO Axp A    186 ? 128.941 130.793 177.453 1   75.469  ? 220 A 1 .
ATOM 2941 O O    . PRO Axp A    186 ? 130.122 130.595 177.221 1   82.175  ? 220 A 1 .
ATOM 2942 C CB   . PRO Axp A    186 ? 127.975 132.481 175.827 1   66.205  ? 220 A 1 .
ATOM 2943 C CG   . PRO Axp A    186 ? 129.207 133.184 175.317 1   68.818  ? 220 A 1 .
ATOM 2944 C CD   . PRO Axp A    186 ? 129.714 134.053 176.416 1   59.391  ? 220 A 1 .
ATOM 2945 H HA   . PRO Axp A    186 ? 127.619 132.324 177.859 1   68.119  ? 220 A 1 c
ATOM 2946 H HB3  . PRO Axp A    186 ? 127.189 133.059 175.789 1   67.689  ? 220 A 1 c
ATOM 2947 H HB2  . PRO Axp A    186 ? 127.805 131.655 175.334 1   67.649  ? 220 A 1 c
ATOM 2948 H HG3  . PRO Axp A    186 ? 128.989 133.724 174.536 1   66.383  ? 220 A 1 c
ATOM 2949 H HG2  . PRO Axp A    186 ? 129.889 132.536 175.063 1   66.119  ? 220 A 1 c
ATOM 2950 H HD3  . PRO Axp A    186 ? 130.674 134.208 176.338 1   61.412  ? 220 A 1 c
ATOM 2951 H HD2  . PRO Axp A    186 ? 129.243 134.903 176.461 1   61.656  ? 220 A 1 c
ATOM 2952 N N    . LYS Axp A    187 ? 128.081 129.857 177.874 1   83.374  ? 221 A 1 .
ATOM 2953 C CA   . LYS Axp A    187 ? 128.447 128.48  178.173 1   85.459  ? 221 A 1 .
ATOM 2954 C C    . LYS Axp A    187 ? 129.126 127.848 176.964 1   80.347  ? 221 A 1 .
ATOM 2955 O O    . LYS Axp A    187 ? 129.363 126.648 176.967 1   101.078 ? 221 A 1 .
ATOM 2956 C CB   . LYS Axp A    187 ? 127.163 127.736 178.577 1   101.141 ? 221 A 1 .
ATOM 2957 C CG   . LYS Axp A    187 ? 127.15  126.209 178.822 1   113.774 ? 221 A 1 .
ATOM 2958 C CD   . LYS Axp A    187 ? 125.723 125.655 178.801 1   124.329 ? 221 A 1 .
ATOM 2959 C CE   . LYS Axp A    187 ? 125.577 124.161 178.705 1   129.087 ? 221 A 1 .
ATOM 2960 N NZ   . LYS Axp A    187 ? 125.832 123.476 179.974 1   129.905 ? 221 A 1 .
ATOM 2961 H H    . LYS Axp A    187 ? 127.206 130.099 177.982 1   81.921  ? 221 A 1 c
ATOM 2962 H HA   . LYS Axp A    187 ? 129.079 128.48  178.935 1   86.593  ? 221 A 1 c
ATOM 2963 H HB3  . LYS Axp A    187 ? 126.498 127.921 177.881 1   100.061 ? 221 A 1 c
ATOM 2964 H HB2  . LYS Axp A    187 ? 126.834 128.162 179.398 1   99.958  ? 221 A 1 c
ATOM 2965 H HG3  . LYS Axp A    187 ? 127.561 126.021 179.694 1   113.004 ? 221 A 1 c
ATOM 2966 H HG2  . LYS Axp A    187 ? 127.679 125.764 178.128 1   112.79  ? 221 A 1 c
ATOM 2967 H HD3  . LYS Axp A    187 ? 125.249 126.061 178.044 1   122.737 ? 221 A 1 c
ATOM 2968 H HD2  . LYS Axp A    187 ? 125.268 125.959 179.616 1   122.917 ? 221 A 1 c
ATOM 2969 H HE3  . LYS Axp A    187 ? 126.199 123.822 178.036 1   128.179 ? 221 A 1 c
ATOM 2970 H HE2  . LYS Axp A    187 ? 124.674 123.946 178.409 1   128.179 ? 221 A 1 c
ATOM 2971 H HZ1  . LYS Axp A    187 ? 125.264 123.785 180.609 1   129.607 ? 221 A 1 c
ATOM 2972 H HZ2  . LYS Axp A    187 ? 126.685 123.628 180.238 1   129.643 ? 221 A 1 c
ATOM 2973 H HZ3  . LYS Axp A    187 ? 125.707 122.584 179.871 1   129.643 ? 221 A 1 c
ATOM 2974 N N    . GLY Axp A    188 ? 129.439 128.65  175.941 1   70.177  ? 222 A 1 .
ATOM 2975 C CA   . GLY Axp A    188 ? 130.2   128.172 174.8   1   71.524  ? 222 A 1 .
ATOM 2976 C C    . GLY Axp A    188 ? 131.655 128.644 174.78  1   75.167  ? 222 A 1 .
ATOM 2977 O O    . GLY Axp A    188 ? 132.507 127.941 174.252 1   82.277  ? 222 A 1 .
ATOM 2978 H H    . GLY Axp A    188 ? 129.14  129.512 175.93  1   73      ? 222 A 1 c
ATOM 2979 H HA3  . GLY Axp A    188 ? 129.753 128.479 173.976 1   72.032  ? 222 A 1 c
ATOM 2980 H HA2  . GLY Axp A    188 ? 130.182 127.187 174.794 1   72.199  ? 222 A 1 c
ATOM 2981 N N    . TYR Axp A    189 ? 131.951 129.832 175.331 1   78.512  ? 223 A 1 .
ATOM 2982 C CA   . TYR Axp A    189 ? 133.228 130.499 175.094 1   71.514  ? 223 A 1 .
ATOM 2983 C C    . TYR Axp A    189 ? 134.023 130.744 176.38  1   65.558  ? 223 A 1 .
ATOM 2984 O O    . TYR Axp A    189 ? 134.921 131.574 176.391 1   57.477  ? 223 A 1 .
ATOM 2985 C CB   . TYR Axp A    189 ? 132.916 131.787 174.326 1   69.789  ? 223 A 1 .
ATOM 2986 C CG   . TYR Axp A    189 ? 132.146 131.507 173.043 1   77.363  ? 223 A 1 .
ATOM 2987 C CD1  . TYR Axp A    189 ? 130.84  131.028 173.075 1   73.364  ? 223 A 1 .
ATOM 2988 C CD2  . TYR Axp A    189 ? 132.709 131.749 171.798 1   97.157  ? 223 A 1 .
ATOM 2989 C CE1  . TYR Axp A    189 ? 130.137 130.747 171.919 1   76.817  ? 223 A 1 .
ATOM 2990 C CE2  . TYR Axp A    189 ? 132.008 131.49  170.627 1   109.968 ? 223 A 1 .
ATOM 2991 C CZ   . TYR Axp A    189 ? 130.719 130.98  170.684 1   100.904 ? 223 A 1 .
ATOM 2992 O OH   . TYR Axp A    189 ? 129.998 130.708 169.547 1   106.443 ? 223 A 1 .
ATOM 2993 H H    . TYR Axp A    189 ? 131.342 130.236 175.881 1   75.982  ? 223 A 1 c
ATOM 2994 H HA   . TYR Axp A    189 ? 133.776 129.918 174.503 1   71.438  ? 223 A 1 c
ATOM 2995 H HB3  . TYR Axp A    189 ? 133.76  132.239 174.105 1   72.005  ? 223 A 1 c
ATOM 2996 H HB2  . TYR Axp A    189 ? 132.382 132.379 174.902 1   71.872  ? 223 A 1 c
ATOM 2997 H HD1  . TYR Axp A    189 ? 130.432 130.853 173.906 1   75.417  ? 223 A 1 c
ATOM 2998 H HD2  . TYR Axp A    189 ? 133.592 132.08  171.744 1   94.331  ? 223 A 1 c
ATOM 2999 H HE1  . TYR Axp A    189 ? 129.257 130.413 171.969 1   81.278  ? 223 A 1 c
ATOM 3000 H HE2  . TYR Axp A    189 ? 132.415 131.644 169.791 1   104.069 ? 223 A 1 c
ATOM 3001 H HH   . TYR Axp A    189 ? 129.066 130.52  169.912 0   76.55   ? 223 A 1 c
ATOM 3002 N N    . GLU Axp A    190 ? 133.768 129.988 177.453 1   69.976  ? 224 A 1 .
ATOM 3003 C CA   . GLU Axp A    190 ? 134.609 130.076 178.64  1   66.2    ? 224 A 1 .
ATOM 3004 C C    . GLU Axp A    190 ? 136.047 130.072 178.133 1   63.195  ? 224 A 1 .
ATOM 3005 O O    . GLU Axp A    190 ? 136.353 129.426 177.145 1   83.539  ? 224 A 1 .
ATOM 3006 C CB   . GLU Axp A    190 ? 134.422 128.953 179.673 1   69.109  ? 224 A 1 .
ATOM 3007 C CG   . GLU Axp A    190 ? 132.982 128.465 179.864 1   73.805  ? 224 A 1 .
ATOM 3008 C CD   . GLU Axp A    190 ? 132.442 127.753 178.623 1   80.541  ? 224 A 1 .
ATOM 3009 O OE1  . GLU Axp A    190 ? 133.054 126.757 178.206 1   89.551  ? 224 A 1 .
ATOM 3010 O OE2  . GLU Axp A    190 ? 131.467 128.202 178.003 1   79.826  ? 224 A 1 .
ATOM 3011 H H    . GLU Axp A    190 ? 133.056 129.417 177.446 1   68.28   ? 224 A 1 c
ATOM 3012 H HA   . GLU Axp A    190 ? 134.43  130.942 179.08  1   66.733  ? 224 A 1 c
ATOM 3013 H HB3  . GLU Axp A    190 ? 134.755 129.269 180.539 1   69.485  ? 224 A 1 c
ATOM 3014 H HB2  . GLU Axp A    190 ? 134.972 128.187 179.407 1   69.528  ? 224 A 1 c
ATOM 3015 H HG3  . GLU Axp A    190 ? 132.403 129.232 180.066 1   74.18   ? 224 A 1 c
ATOM 3016 H HG2  . GLU Axp A    190 ? 132.946 127.847 180.625 1   74.18   ? 224 A 1 c
ATOM 3017 N N    . PRO Axp A    191 ? 136.978 130.835 178.714 1   60.523  ? 225 A 1 .
ATOM 3018 C CA   . PRO Axp A    191 ? 138.36  130.759 178.284 1   63.327  ? 225 A 1 .
ATOM 3019 C C    . PRO Axp A    191 ? 139.047 129.499 178.792 1   69.404  ? 225 A 1 .
ATOM 3020 O O    . PRO Axp A    191 ? 138.941 129.185 179.977 1   62.339  ? 225 A 1 .
ATOM 3021 C CB   . PRO Axp A    191 ? 138.93  132.026 178.868 1   68.328  ? 225 A 1 .
ATOM 3022 C CG   . PRO Axp A    191 ? 138.131 132.173 180.155 1   62.632  ? 225 A 1 .
ATOM 3023 C CD   . PRO Axp A    191 ? 136.756 131.831 179.762 1   63.529  ? 225 A 1 .
ATOM 3024 H HA   . PRO Axp A    191 ? 138.406 130.796 177.306 1   65.046  ? 225 A 1 c
ATOM 3025 H HB3  . PRO Axp A    191 ? 138.783 132.786 178.271 1   65.863  ? 225 A 1 c
ATOM 3026 H HB2  . PRO Axp A    191 ? 139.885 131.932 179.052 1   65.879  ? 225 A 1 c
ATOM 3027 H HG3  . PRO Axp A    191 ? 138.173 133.085 180.496 1   63.545  ? 225 A 1 c
ATOM 3028 H HG2  . PRO Axp A    191 ? 138.451 131.563 180.834 1   63.386  ? 225 A 1 c
ATOM 3029 H HD3  . PRO Axp A    191 ? 136.254 131.448 180.508 1   62.655  ? 225 A 1 c
ATOM 3030 H HD2  . PRO Axp A    191 ? 136.278 132.608 179.411 1   62.621  ? 225 A 1 c
ATOM 3031 N N    . ASP Axp A    192 ? 139.691 128.789 177.845 1   87.123  ? 226 A 1 .
ATOM 3032 C CA   . ASP Axp A    192 ? 140.518 127.601 178.051 1   81.865  ? 226 A 1 .
ATOM 3033 C C    . ASP Axp A    192 ? 141.039 127.587 179.475 1   65.482  ? 226 A 1 .
ATOM 3034 O O    . ASP Axp A    192 ? 141.748 128.506 179.901 1   62.542  ? 226 A 1 .
ATOM 3035 C CB   . ASP Axp A    192 ? 141.688 127.568 177.075 1   88.778  ? 226 A 1 .
ATOM 3036 C CG   . ASP Axp A    192 ? 142.267 128.943 176.742 1   102.404 ? 226 A 1 .
ATOM 3037 O OD1  . ASP Axp A    192 ? 142.583 129.694 177.686 1   111.015 ? 226 A 1 .
ATOM 3038 O OD2  . ASP Axp A    192 ? 142.347 129.294 175.542 1   99.239  ? 226 A 1 .
ATOM 3039 H H    . ASP Axp A    192 ? 139.588 129.073 176.982 1   81.206  ? 226 A 1 c
ATOM 3040 H HA   . ASP Axp A    192 ? 139.96  126.804 177.902 1   80.267  ? 226 A 1 c
ATOM 3041 H HB3  . ASP Axp A    192 ? 141.378 127.162 176.239 1   90.031  ? 226 A 1 c
ATOM 3042 H HB2  . ASP Axp A    192 ? 142.395 126.998 177.436 1   89.699  ? 226 A 1 c
ATOM 3043 N N    . ALA Axp A    193 ? 140.656 126.561 180.222 1   51.02   ? 227 A 1 .
ATOM 3044 C CA   . ALA Axp A    193 ? 140.957 126.614 181.639 1   60.099  ? 227 A 1 .
ATOM 3045 C C    . ALA Axp A    193 ? 142.456 126.864 181.863 1   68.816  ? 227 A 1 .
ATOM 3046 O O    . ALA Axp A    193 ? 142.893 127.245 182.959 1   62.39   ? 227 A 1 .
ATOM 3047 C CB   . ALA Axp A    193 ? 140.472 125.364 182.314 1   59.954  ? 227 A 1 .
ATOM 3048 H H    . ALA Axp A    193 ? 140.219 125.841 179.868 1   56.524  ? 227 A 1 c
ATOM 3049 H HA   . ALA Axp A    193 ? 140.463 127.389 182.021 1   59.671  ? 227 A 1 c
ATOM 3050 H HB3  . ALA Axp A    193 ? 140.752 125.365 183.245 1   59.997  ? 227 A 1 c
ATOM 3051 H HB2  . ALA Axp A    193 ? 140.844 124.586 181.867 1   59.997  ? 227 A 1 c
ATOM 3052 H HB1  . ALA Axp A    193 ? 139.501 125.325 182.271 1   59.997  ? 227 A 1 c
ATOM 3053 N N    . SER Axp A    194 ? 143.245 126.663 180.796 1   78.641  ? 228 A 1 .
ATOM 3054 C CA   . SER Axp A    194 ? 144.692 126.844 180.824 1   76.328  ? 228 A 1 .
ATOM 3055 C C    . SER Axp A    194 ? 145.061 128.133 181.55  1   68.982  ? 228 A 1 .
ATOM 3056 O O    . SER Axp A    194 ? 145.924 128.133 182.433 1   59.421  ? 228 A 1 .
ATOM 3057 C CB   . SER Axp A    194 ? 145.284 126.799 179.411 1   76.922  ? 228 A 1 .
ATOM 3058 O OG   . SER Axp A    194 ? 144.364 127.253 178.422 1   69.529  ? 228 A 1 .
ATOM 3059 H H    . SER Axp A    194 ? 142.87  126.361 180.02  1   75.21   ? 228 A 1 c
ATOM 3060 H HA   . SER Axp A    194 ? 145.077 126.09  181.338 1   75.353  ? 228 A 1 c
ATOM 3061 H HB3  . SER Axp A    194 ? 145.549 125.882 179.206 1   74.949  ? 228 A 1 c
ATOM 3062 H HB2  . SER Axp A    194 ? 146.086 127.355 179.382 1   74.92   ? 228 A 1 c
ATOM 3063 H HG   . SER Axp A    194 ? 144.729 127.1   177.662 0   62.83   ? 228 A 1 c
ATOM 3064 N N    . VAL Axp A    195 ? 144.365 129.207 181.162 1   66.309  ? 229 A 1 .
ATOM 3065 C CA   . VAL Axp A    195 ? 144.688 130.556 181.593 1   66.085  ? 229 A 1 .
ATOM 3066 C C    . VAL Axp A    195 ? 143.947 130.828 182.896 1   61.743  ? 229 A 1 .
ATOM 3067 O O    . VAL Axp A    195 ? 144.565 131.232 183.875 1   56.969  ? 229 A 1 .
ATOM 3068 C CB   . VAL Axp A    195 ? 144.371 131.641 180.537 1   66.708  ? 229 A 1 .
ATOM 3069 C CG1  . VAL Axp A    195 ? 145.389 131.689 179.417 1   60.683  ? 229 A 1 .
ATOM 3070 C CG2  . VAL Axp A    195 ? 142.99  131.491 179.922 1   72.482  ? 229 A 1 .
ATOM 3071 H H    . VAL Axp A    195 ? 143.656 129.088 180.6   1   67.022  ? 229 A 1 c
ATOM 3072 H HA   . VAL Axp A    195 ? 145.647 130.59  181.778 1   65.325  ? 229 A 1 c
ATOM 3073 H HB   . VAL Axp A    195 ? 144.397 132.512 180.999 1   66.416  ? 229 A 1 c
ATOM 3074 H HG11 . VAL Axp A    195 ? 145.279 130.912 178.844 1   62.481  ? 229 A 1 c
ATOM 3075 H HG12 . VAL Axp A    195 ? 146.285 131.689 179.792 1   62.455  ? 229 A 1 c
ATOM 3076 H HG13 . VAL Axp A    195 ? 145.258 132.497 178.893 1   62.482  ? 229 A 1 c
ATOM 3077 H HG21 . VAL Axp A    195 ? 142.966 131.94  179.06  1   70.755  ? 229 A 1 c
ATOM 3078 H HG22 . VAL Axp A    195 ? 142.329 131.892 180.511 1   70.567  ? 229 A 1 c
ATOM 3079 H HG23 . VAL Axp A    195 ? 142.784 130.555 179.802 1   70.801  ? 229 A 1 c
ATOM 3080 N N    . THR Axp A    196 ? 142.626 130.594 182.9   1   55.916  ? 230 A 1 .
ATOM 3081 C CA   . THR Axp A    196 ? 141.81  130.918 184.056 1   52.413  ? 230 A 1 .
ATOM 3082 C C    . THR Axp A    196 ? 142.432 130.242 185.271 1   60.692  ? 230 A 1 .
ATOM 3083 O O    . THR Axp A    196 ? 142.524 130.837 186.336 1   56.431  ? 230 A 1 .
ATOM 3084 C CB   . THR Axp A    196 ? 140.357 130.493 183.877 1   47.906  ? 230 A 1 .
ATOM 3085 O OG1  . THR Axp A    196 ? 140.348 129.077 183.861 1   60.394  ? 230 A 1 .
ATOM 3086 C CG2  . THR Axp A    196 ? 139.747 130.861 182.545 1   46.517  ? 230 A 1 .
ATOM 3087 H H    . THR Axp A    196 ? 142.234 130.207 182.172 1   56.572  ? 230 A 1 c
ATOM 3088 H HA   . THR Axp A    196 ? 141.837 131.891 184.19  1   53.633  ? 230 A 1 c
ATOM 3089 H HB   . THR Axp A    196 ? 139.798 130.826 184.62  1   50.686  ? 230 A 1 c
ATOM 3090 H HG1  . THR Axp A    196 ? 140.831 128.582 183.29  0   62.45   ? 230 A 1 c
ATOM 3091 H HG21 . THR Axp A    196 ? 138.782 130.757 182.596 1   47.246  ? 230 A 1 c
ATOM 3092 H HG22 . THR Axp A    196 ? 140.1   130.28  181.853 1   47.35   ? 230 A 1 c
ATOM 3093 H HG23 . THR Axp A    196 ? 139.964 131.785 182.335 1   47.226  ? 230 A 1 c
ATOM 3094 N N    . LYS Axp A    197 ? 142.889 128.995 185.102 1   78.643  ? 231 A 1 .
ATOM 3095 C CA   . LYS Axp A    197 ? 143.517 128.302 186.21  1   85.284  ? 231 A 1 .
ATOM 3096 C C    . LYS Axp A    197 ? 144.68  129.158 186.692 1   76.902  ? 231 A 1 .
ATOM 3097 O O    . LYS Axp A    197 ? 145.016 129.15  187.871 1   77.153  ? 231 A 1 .
ATOM 3098 C CB   . LYS Axp A    197 ? 144.013 126.876 185.948 1   95.062  ? 231 A 1 .
ATOM 3099 C CG   . LYS Axp A    197 ? 144.324 126.206 187.306 1   111.759 ? 231 A 1 .
ATOM 3100 C CD   . LYS Axp A    197 ? 144.487 124.697 187.451 1   124.914 ? 231 A 1 .
ATOM 3101 C CE   . LYS Axp A    197 ? 144.586 124.334 188.912 1   125.956 ? 231 A 1 .
ATOM 3102 N NZ   . LYS Axp A    197 ? 144.849 122.91  189.137 1   127.638 ? 231 A 1 .
ATOM 3103 H H    . LYS Axp A    197 ? 142.799 128.569 184.298 1   74.85   ? 231 A 1 c
ATOM 3104 H HA   . LYS Axp A    197 ? 142.853 128.255 186.944 1   84.016  ? 231 A 1 c
ATOM 3105 H HB3  . LYS Axp A    197 ? 144.825 126.894 185.398 1   96.042  ? 231 A 1 c
ATOM 3106 H HB2  . LYS Axp A    197 ? 143.325 126.359 185.478 1   95.961  ? 231 A 1 c
ATOM 3107 H HG3  . LYS Axp A    197 ? 143.616 126.481 187.929 1   110.213 ? 231 A 1 c
ATOM 3108 H HG2  . LYS Axp A    197 ? 145.149 126.617 187.643 1   110.053 ? 231 A 1 c
ATOM 3109 H HD3  . LYS Axp A    197 ? 145.303 124.407 186.987 1   122.048 ? 231 A 1 c
ATOM 3110 H HD2  . LYS Axp A    197 ? 143.715 124.241 187.052 1   122.048 ? 231 A 1 c
ATOM 3111 H HE3  . LYS Axp A    197 ? 143.752 124.571 189.357 1   126.006 ? 231 A 1 c
ATOM 3112 H HE2  . LYS Axp A    197 ? 145.301 124.853 189.323 1   126.094 ? 231 A 1 c
ATOM 3113 H HZ1  . LYS Axp A    197 ? 145.716 122.725 188.947 1   127.115 ? 231 A 1 c
ATOM 3114 H HZ2  . LYS Axp A    197 ? 144.315 122.41  188.603 1   127.106 ? 231 A 1 c
ATOM 3115 H HZ3  . LYS Axp A    197 ? 144.683 122.701 190.003 1   127.115 ? 231 A 1 c
ATOM 3116 N N    . LEU Axp A    198 ? 145.263 129.918 185.764 1   68.361  ? 232 A 1 .
ATOM 3117 C CA   . LEU Axp A    198 ? 146.383 130.779 186.087 1   66.358  ? 232 A 1 .
ATOM 3118 C C    . LEU Axp A    198 ? 145.885 131.993 186.857 1   64.719  ? 232 A 1 .
ATOM 3119 O O    . LEU Axp A    198 ? 146.395 132.291 187.924 1   60.309  ? 232 A 1 .
ATOM 3120 C CB   . LEU Axp A    198 ? 147.116 131.195 184.815 1   67.898  ? 232 A 1 .
ATOM 3121 C CG   . LEU Axp A    198 ? 148.629 130.968 184.835 1   70.132  ? 232 A 1 .
ATOM 3122 C CD1  . LEU Axp A    198 ? 149.303 131.523 183.599 1   74.37   ? 232 A 1 .
ATOM 3123 C CD2  . LEU Axp A    198 ? 149.284 131.512 186.084 1   62.87   ? 232 A 1 .
ATOM 3124 H H    . LEU Axp A    198 ? 144.981 129.87  184.897 1   69.843  ? 232 A 1 c
ATOM 3125 H HA   . LEU Axp A    198 ? 147.004 130.271 186.668 1   66.764  ? 232 A 1 c
ATOM 3126 H HB3  . LEU Axp A    198 ? 146.947 132.152 184.658 1   67.927  ? 232 A 1 c
ATOM 3127 H HB2  . LEU Axp A    198 ? 146.742 130.689 184.058 1   67.954  ? 232 A 1 c
ATOM 3128 H HG   . LEU Axp A    198 ? 148.781 129.987 184.832 1   69.051  ? 232 A 1 c
ATOM 3129 H HD11 . LEU Axp A    198 ? 148.775 131.301 182.814 1   73.063  ? 232 A 1 c
ATOM 3130 H HD12 . LEU Axp A    198 ? 150.19  131.136 183.511 1   73.063  ? 232 A 1 c
ATOM 3131 H HD13 . LEU Axp A    198 ? 149.378 132.489 183.676 1   72.986  ? 232 A 1 c
ATOM 3132 H HD21 . LEU Axp A    198 ? 149.254 130.84  186.786 1   64.975  ? 232 A 1 c
ATOM 3133 H HD22 . LEU Axp A    198 ? 148.811 132.308 186.379 1   64.983  ? 232 A 1 c
ATOM 3134 H HD23 . LEU Axp A    198 ? 150.21  131.738 185.895 1   65.007  ? 232 A 1 c
ATOM 3135 N N    . ALA Axp A    199 ? 144.894 132.684 186.291 1   67.172  ? 233 A 1 .
ATOM 3136 C CA   . ALA Axp A    199 ? 144.319 133.863 186.909 1   58.349  ? 233 A 1 .
ATOM 3137 C C    . ALA Axp A    199 ? 143.918 133.56  188.345 1   60.362  ? 233 A 1 .
ATOM 3138 O O    . ALA Axp A    199 ? 144.22  134.363 189.219 1   59.343  ? 233 A 1 .
ATOM 3139 C CB   . ALA Axp A    199 ? 143.143 134.331 186.104 1   53.023  ? 233 A 1 .
ATOM 3140 H H    . ALA Axp A    199 ? 144.567 132.409 185.483 1   64.353  ? 233 A 1 c
ATOM 3141 H HA   . ALA Axp A    199 ? 145.012 134.579 186.922 1   59.289  ? 233 A 1 c
ATOM 3142 H HB3  . ALA Axp A    199 ? 142.853 135.202 186.422 1   54.561  ? 233 A 1 c
ATOM 3143 H HB2  . ALA Axp A    199 ? 142.413 133.696 186.194 1   54.593  ? 233 A 1 c
ATOM 3144 H HB1  . ALA Axp A    199 ? 143.395 134.396 185.169 1   54.533  ? 233 A 1 c
ATOM 3145 N N    . GLU Axp A    200 ? 143.262 132.404 188.567 1   65.141  ? 234 A 1 .
ATOM 3146 C CA   . GLU Axp A    200 ? 142.868 131.961 189.898 1   66.836  ? 234 A 1 .
ATOM 3147 C C    . GLU Axp A    200 ? 144.117 131.878 190.774 1   62.663  ? 234 A 1 .
ATOM 3148 O O    . GLU Axp A    200 ? 144.067 132.212 191.956 1   60.331  ? 234 A 1 .
ATOM 3149 C CB   . GLU Axp A    200 ? 142.058 130.658 189.896 1   70.012  ? 234 A 1 .
ATOM 3150 C CG   . GLU Axp A    200 ? 141.449 130.293 191.254 1   82.121  ? 234 A 1 .
ATOM 3151 C CD   . GLU Axp A    200 ? 140.075 130.859 191.622 1   90.806  ? 234 A 1 .
ATOM 3152 O OE1  . GLU Axp A    200 ? 139.141 130.522 190.847 1   95.669  ? 234 A 1 .
ATOM 3153 O OE2  . GLU Axp A    200 ? 139.906 131.583 192.659 1   84.529  ? 234 A 1 .
ATOM 3154 H H    . GLU Axp A    200 ? 143.048 131.875 187.853 1   64.352  ? 234 A 1 c
ATOM 3155 H HA   . GLU Axp A    200 ? 142.283 132.661 190.283 1   66.209  ? 234 A 1 c
ATOM 3156 H HB3  . GLU Axp A    200 ? 142.642 129.926 189.607 1   71.84   ? 234 A 1 c
ATOM 3157 H HB2  . GLU Axp A    200 ? 141.336 130.739 189.239 1   71.841  ? 234 A 1 c
ATOM 3158 H HG3  . GLU Axp A    200 ? 142.077 130.563 191.956 1   80.802  ? 234 A 1 c
ATOM 3159 H HG2  . GLU Axp A    200 ? 141.387 129.315 191.305 1   80.988  ? 234 A 1 c
ATOM 3160 N N    . GLN Axp A    201 ? 145.239 131.459 190.183 1   58.891  ? 235 A 1 .
ATOM 3161 C CA   . GLN Axp A    201 ? 146.487 131.38  190.924 1   64.258  ? 235 A 1 .
ATOM 3162 C C    . GLN Axp A    201 ? 147.016 132.77  191.268 1   64.699  ? 235 A 1 .
ATOM 3163 O O    . GLN Axp A    201 ? 147.587 132.976 192.333 1   57.151  ? 235 A 1 .
ATOM 3164 C CB   . GLN Axp A    201 ? 147.575 130.65  190.141 1   70.146  ? 235 A 1 .
ATOM 3165 C CG   . GLN Axp A    201 ? 148.95  130.703 190.799 1   74.152  ? 235 A 1 .
ATOM 3166 C CD   . GLN Axp A    201 ? 150.011 130.078 189.925 1   89.7    ? 235 A 1 .
ATOM 3167 O OE1  . GLN Axp A    201 ? 149.86  128.941 189.462 1   117.334 ? 235 A 1 .
ATOM 3168 N NE2  . GLN Axp A    201 ? 151.066 130.834 189.645 1   92.677  ? 235 A 1 .
ATOM 3169 H H    . GLN Axp A    201 ? 145.224 131.192 189.31  1   61.095  ? 235 A 1 c
ATOM 3170 H HA   . GLN Axp A    201 ? 146.319 130.887 191.767 1   64.243  ? 235 A 1 c
ATOM 3171 H HB3  . GLN Axp A    201 ? 147.639 131.04  189.247 1   69.652  ? 235 A 1 c
ATOM 3172 H HB2  . GLN Axp A    201 ? 147.309 129.713 190.037 1   69.635  ? 235 A 1 c
ATOM 3173 H HG3  . GLN Axp A    201 ? 148.921 130.23  191.658 1   76.492  ? 235 A 1 c
ATOM 3174 H HG2  . GLN Axp A    201 ? 149.198 131.634 190.974 1   76.414  ? 235 A 1 c
ATOM 3175 H HE21 . GLN Axp A    201 ? 151.884 130.525 189.794 1   91.751  ? 235 A 1 c
ATOM 3176 H HE22 . GLN Axp A    201 ? 150.95  131.647 189.308 1   91.751  ? 235 A 1 c
ATOM 3177 N N    . TYR Axp A    202 ? 146.901 133.707 190.33  1   66.834  ? 236 A 1 .
ATOM 3178 C CA   . TYR Axp A    202 ? 147.389 135.051 190.561 1   62.118  ? 236 A 1 .
ATOM 3179 C C    . TYR Axp A    202 ? 146.551 135.681 191.661 1   58.149  ? 236 A 1 .
ATOM 3180 O O    . TYR Axp A    202 ? 147.058 136.386 192.521 1   55.029  ? 236 A 1 .
ATOM 3181 C CB   . TYR Axp A    202 ? 147.306 135.804 189.235 1   63.868  ? 236 A 1 .
ATOM 3182 C CG   . TYR Axp A    202 ? 148.423 135.538 188.24  1   61.447  ? 236 A 1 .
ATOM 3183 C CD1  . TYR Axp A    202 ? 149.742 135.352 188.653 1   59.371  ? 236 A 1 .
ATOM 3184 C CD2  . TYR Axp A    202 ? 148.158 135.534 186.88  1   60.841  ? 236 A 1 .
ATOM 3185 C CE1  . TYR Axp A    202 ? 150.765 135.156 187.74  1   59.485  ? 236 A 1 .
ATOM 3186 C CE2  . TYR Axp A    202 ? 149.171 135.345 185.959 1   64.958  ? 236 A 1 .
ATOM 3187 C CZ   . TYR Axp A    202 ? 150.475 135.159 186.386 1   64.674  ? 236 A 1 .
ATOM 3188 O OH   . TYR Axp A    202 ? 151.45  134.968 185.45  1   65.443  ? 236 A 1 .
ATOM 3189 H H    . TYR Axp A    202 ? 146.521 133.502 189.524 1   65.125  ? 236 A 1 c
ATOM 3190 H HA   . TYR Axp A    202 ? 148.334 135.006 190.858 1   62.511  ? 236 A 1 c
ATOM 3191 H HB3  . TYR Axp A    202 ? 147.291 136.767 189.433 1   62.752  ? 236 A 1 c
ATOM 3192 H HB2  . TYR Axp A    202 ? 146.448 135.586 188.809 1   62.879  ? 236 A 1 c
ATOM 3193 H HD1  . TYR Axp A    202 ? 149.947 135.367 189.573 1   59.997  ? 236 A 1 c
ATOM 3194 H HD2  . TYR Axp A    202 ? 147.275 135.676 186.576 1   61.944  ? 236 A 1 c
ATOM 3195 H HE1  . TYR Axp A    202 ? 151.65  135.029 188.036 1   60.685  ? 236 A 1 c
ATOM 3196 H HE2  . TYR Axp A    202 ? 148.975 135.34  185.038 1   63.788  ? 236 A 1 c
ATOM 3197 H HH   . TYR Axp A    202 ? 152.29  134.844 185.95  0   56.37   ? 236 A 1 c
ATOM 3198 N N    . ALA Axp A    203 ? 145.253 135.404 191.613 1   59.073  ? 237 A 1 .
ATOM 3199 C CA   . ALA Axp A    203 ? 144.326 135.963 192.572 1   62.031  ? 237 A 1 .
ATOM 3200 C C    . ALA Axp A    203 ? 144.614 135.406 193.966 1   61.688  ? 237 A 1 .
ATOM 3201 O O    . ALA Axp A    203 ? 144.434 136.103 194.963 1   58.896  ? 237 A 1 .
ATOM 3202 C CB   . ALA Axp A    203 ? 142.916 135.686 192.1   1   61.449  ? 237 A 1 .
ATOM 3203 H H    . ALA Axp A    203 ? 144.931 134.856 190.957 1   59.605  ? 237 A 1 c
ATOM 3204 H HA   . ALA Axp A    203 ? 144.467 136.949 192.6   1   61.225  ? 237 A 1 c
ATOM 3205 H HB3  . ALA Axp A    203 ? 142.286 136.196 192.634 1   61.508  ? 237 A 1 c
ATOM 3206 H HB2  . ALA Axp A    203 ? 142.721 134.738 192.191 1   61.592  ? 237 A 1 c
ATOM 3207 H HB1  . ALA Axp A    203 ? 142.828 135.943 191.166 1   61.581  ? 237 A 1 c
ATOM 3208 N N    . LYS Axp A    204 ? 145.068 134.152 194.031 1   61.795  ? 238 A 1 .
ATOM 3209 C CA   . LYS Axp A    204 ? 145.369 133.52  195.304 1   69.569  ? 238 A 1 .
ATOM 3210 C C    . LYS Axp A    204 ? 146.501 134.303 195.947 1   65.856  ? 238 A 1 .
ATOM 3211 O O    . LYS Axp A    204 ? 146.405 134.686 197.104 1   83.875  ? 238 A 1 .
ATOM 3212 C CB   . LYS Axp A    204 ? 145.82  132.073 195.095 1   84.541  ? 238 A 1 .
ATOM 3213 C CG   . LYS Axp A    204 ? 146.095 131.183 196.302 1   100.08  ? 238 A 1 .
ATOM 3214 C CD   . LYS Axp A    204 ? 144.83  130.506 196.811 1   112.306 ? 238 A 1 .
ATOM 3215 C CE   . LYS Axp A    204 ? 145.095 129.207 197.528 1   113.369 ? 238 A 1 .
ATOM 3216 N NZ   . LYS Axp A    204 ? 143.841 128.52  197.864 1   117.518 ? 238 A 1 .
ATOM 3217 H H    . LYS Axp A    204 ? 145.182 133.67  193.263 1   63.505  ? 238 A 1 c
ATOM 3218 H HA   . LYS Axp A    204 ? 144.566 133.557 195.883 1   69.644  ? 238 A 1 c
ATOM 3219 H HB3  . LYS Axp A    204 ? 146.64  132.097 194.558 1   83.665  ? 238 A 1 c
ATOM 3220 H HB2  . LYS Axp A    204 ? 145.138 131.629 194.548 1   84.26   ? 238 A 1 c
ATOM 3221 H HG3  . LYS Axp A    204 ? 146.482 131.73  197.021 1   98.694  ? 238 A 1 c
ATOM 3222 H HG2  . LYS Axp A    204 ? 146.752 130.498 196.049 1   98.983  ? 238 A 1 c
ATOM 3223 H HD3  . LYS Axp A    204 ? 144.23  130.333 196.053 1   109.259 ? 238 A 1 c
ATOM 3224 H HD2  . LYS Axp A    204 ? 144.368 131.119 197.423 1   109.563 ? 238 A 1 c
ATOM 3225 H HE3  . LYS Axp A    204 ? 145.591 129.381 198.347 1   114.073 ? 238 A 1 c
ATOM 3226 H HE2  . LYS Axp A    204 ? 145.633 128.625 196.962 1   113.988 ? 238 A 1 c
ATOM 3227 H HZ1  . LYS Axp A    204 ? 143.441 128.225 197.106 1   116.22  ? 238 A 1 c
ATOM 3228 H HZ2  . LYS Axp A    204 ? 143.283 129.092 198.292 1   116.202 ? 238 A 1 c
ATOM 3229 H HZ3  . LYS Axp A    204 ? 144.014 127.814 198.404 1   116.22  ? 238 A 1 c
ATOM 3230 N N    . GLU Axp A    205 ? 147.555 134.56  195.171 1   59.355  ? 239 A 1 .
ATOM 3231 C CA   . GLU Axp A    205 ? 148.796 135.082 195.722 1   68.885  ? 239 A 1 .
ATOM 3232 C C    . GLU Axp A    205 ? 148.695 136.589 195.964 1   68.257  ? 239 A 1 .
ATOM 3233 O O    . GLU Axp A    205 ? 149.621 137.2   196.498 1   70.771  ? 239 A 1 .
ATOM 3234 C CB   . GLU Axp A    205 ? 150.028 134.688 194.89  1   77.177  ? 239 A 1 .
ATOM 3235 C CG   . GLU Axp A    205 ? 149.817 134.578 193.381 1   76.147  ? 239 A 1 .
ATOM 3236 C CD   . GLU Axp A    205 ? 150.954 133.92  192.617 1   77.811  ? 239 A 1 .
ATOM 3237 O OE1  . GLU Axp A    205 ? 151.335 132.757 192.869 1   68.382  ? 239 A 1 .
ATOM 3238 O OE2  . GLU Axp A    205 ? 151.462 134.61  191.726 1   96.266  ? 239 A 1 .
ATOM 3239 H H    . GLU Axp A    205 ? 147.492 134.419 194.271 1   63.162  ? 239 A 1 c
ATOM 3240 H HA   . GLU Axp A    205 ? 148.924 134.656 196.608 1   68.3    ? 239 A 1 c
ATOM 3241 H HB3  . GLU Axp A    205 ? 150.353 133.821 195.212 1   74.973  ? 239 A 1 c
ATOM 3242 H HB2  . GLU Axp A    205 ? 150.737 135.345 195.05  1   74.925  ? 239 A 1 c
ATOM 3243 H HG3  . GLU Axp A    205 ? 149.676 135.477 193.015 1   76.698  ? 239 A 1 c
ATOM 3244 H HG2  . GLU Axp A    205 ? 149.007 134.066 193.212 1   76.308  ? 239 A 1 c
ATOM 3245 N N    . ASN Axp A    206 ? 147.577 137.199 195.564 1   66.836  ? 240 A 1 .
ATOM 3246 C CA   . ASN Axp A    206 ? 147.428 138.642 195.69  1   65.868  ? 240 A 1 .
ATOM 3247 C C    . ASN Axp A    206 ? 146.261 138.961 196.609 1   60.333  ? 240 A 1 .
ATOM 3248 O O    . ASN Axp A    206 ? 146.096 140.094 197.056 1   56.008  ? 240 A 1 .
ATOM 3249 C CB   . ASN Axp A    206 ? 147.18  139.306 194.343 1   68.231  ? 240 A 1 .
ATOM 3250 C CG   . ASN Axp A    206 ? 148.429 139.393 193.506 1   63.717  ? 240 A 1 .
ATOM 3251 O OD1  . ASN Axp A    206 ? 149.139 140.402 193.556 1   62.215  ? 240 A 1 .
ATOM 3252 N ND2  . ASN Axp A    206 ? 148.722 138.341 192.759 1   64.285  ? 240 A 1 .
ATOM 3253 H H    . ASN Axp A    206 ? 146.918 136.721 195.151 1   66.693  ? 240 A 1 c
ATOM 3254 H HA   . ASN Axp A    206 ? 148.251 139.021 196.071 1   65.465  ? 240 A 1 c
ATOM 3255 H HB3  . ASN Axp A    206 ? 146.827 140.207 194.486 1   66.547  ? 240 A 1 c
ATOM 3256 H HB2  . ASN Axp A    206 ? 146.508 138.792 193.855 1   66.691  ? 240 A 1 c
ATOM 3257 H HD21 . ASN Axp A    206 ? 149.188 138.447 192.011 1   64.141  ? 240 A 1 c
ATOM 3258 H HD22 . ASN Axp A    206 ? 148.454 137.533 193.005 1   64.244  ? 240 A 1 c
ATOM 3259 N N    . GLY Axp A    207 ? 145.429 137.945 196.822 1   57.417  ? 241 A 1 .
ATOM 3260 C CA   . GLY Axp A    207 ? 144.277 138.07  197.678 1   55.214  ? 241 A 1 .
ATOM 3261 C C    . GLY Axp A    207 ? 143.153 138.739 196.919 1   49.61   ? 241 A 1 .
ATOM 3262 O O    . GLY Axp A    207 ? 142.213 139.209 197.528 1   53.847  ? 241 A 1 .
ATOM 3263 H H    . GLY Axp A    207 ? 145.58  137.141 196.416 1   57.756  ? 241 A 1 c
ATOM 3264 H HA3  . GLY Axp A    207 ? 144.511 138.604 198.473 1   54.452  ? 241 A 1 c
ATOM 3265 H HA2  . GLY Axp A    207 ? 143.992 137.175 197.978 1   54.42   ? 241 A 1 c
ATOM 3266 N N    . THR Axp A    208 ? 143.248 138.764 195.595 1   50.485  ? 242 A 1 .
ATOM 3267 C CA   . THR Axp A    208 ? 142.191 139.372 194.814 1   56.524  ? 242 A 1 .
ATOM 3268 C C    . THR Axp A    208 ? 141.104 138.324 194.701 1   52.007  ? 242 A 1 .
ATOM 3269 O O    . THR Axp A    208 ? 141.379 137.147 194.908 1   44.991  ? 242 A 1 .
ATOM 3270 C CB   . THR Axp A    208 ? 142.647 139.859 193.436 1   67.802  ? 242 A 1 .
ATOM 3271 O OG1  . THR Axp A    208 ? 142.25  138.913 192.441 1   71.154  ? 242 A 1 .
ATOM 3272 C CG2  . THR Axp A    208 ? 144.134 140.169 193.383 1   75.417  ? 242 A 1 .
ATOM 3273 H H    . THR Axp A    208 ? 143.953 138.369 195.169 1   52.124  ? 242 A 1 c
ATOM 3274 H HA   . THR Axp A    208 ? 141.838 140.142 195.312 1   56.257  ? 242 A 1 c
ATOM 3275 H HB   . THR Axp A    208 ? 142.178 140.709 193.254 1   67.287  ? 242 A 1 c
ATOM 3276 H HG1  . THR Axp A    208 ? 142.765 138.201 192.683 0   62.34   ? 242 A 1 c
ATOM 3277 H HG21 . THR Axp A    208 ? 144.292 140.889 192.751 1   72.193  ? 242 A 1 c
ATOM 3278 H HG22 . THR Axp A    208 ? 144.618 139.377 193.099 1   72.351  ? 242 A 1 c
ATOM 3279 H HG23 . THR Axp A    208 ? 144.445 140.442 194.263 1   72.356  ? 242 A 1 c
ATOM 3280 N N    . LYS Axp A    209 ? 139.896 138.79  194.376 1   57.002  ? 243 A 1 .
ATOM 3281 C CA   . LYS Axp A    209 ? 138.776 137.919 194.084 1   67.069  ? 243 A 1 .
ATOM 3282 C C    . LYS Axp A    209 ? 138.806 137.553 192.6   1   60.098  ? 243 A 1 .
ATOM 3283 O O    . LYS Axp A    209 ? 139.35  138.26  191.75  1   54.842  ? 243 A 1 .
ATOM 3284 C CB   . LYS Axp A    209 ? 137.509 138.654 194.543 1   88.295  ? 243 A 1 .
ATOM 3285 C CG   . LYS Axp A    209 ? 136.192 137.883 194.519 1   113.292 ? 243 A 1 .
ATOM 3286 C CD   . LYS Axp A    209 ? 134.922 138.715 194.715 1   127.462 ? 243 A 1 .
ATOM 3287 C CE   . LYS Axp A    209 ? 134.52  138.915 196.144 1   132.05  ? 243 A 1 .
ATOM 3288 N NZ   . LYS Axp A    209 ? 135.562 139.597 196.916 1   132.921 ? 243 A 1 .
ATOM 3289 H H    . LYS Axp A    209 ? 139.768 139.694 194.333 1   57.997  ? 243 A 1 c
ATOM 3290 H HA   . LYS Axp A    209 ? 138.873 137.091 194.619 1   66.668  ? 243 A 1 c
ATOM 3291 H HB3  . LYS Axp A    209 ? 137.402 139.45  193.979 1   88.101  ? 243 A 1 c
ATOM 3292 H HB2  . LYS Axp A    209 ? 137.661 138.967 195.459 1   88.301  ? 243 A 1 c
ATOM 3293 H HG3  . LYS Axp A    209 ? 136.228 137.198 195.222 1   109.848 ? 243 A 1 c
ATOM 3294 H HG2  . LYS Axp A    209 ? 136.127 137.414 193.659 1   109.199 ? 243 A 1 c
ATOM 3295 H HD3  . LYS Axp A    209 ? 134.185 138.275 194.239 1   125.083 ? 243 A 1 c
ATOM 3296 H HD2  . LYS Axp A    209 ? 135.057 139.595 194.3   1   124.884 ? 243 A 1 c
ATOM 3297 H HE3  . LYS Axp A    209 ? 134.339 138.05  196.554 1   131.191 ? 243 A 1 c
ATOM 3298 H HE2  . LYS Axp A    209 ? 133.703 139.444 196.18  1   131.191 ? 243 A 1 c
ATOM 3299 H HZ1  . LYS Axp A    209 ? 135.96  140.233 196.409 1   131.819 ? 243 A 1 c
ATOM 3300 H HZ2  . LYS Axp A    209 ? 136.183 138.997 197.189 1   131.983 ? 243 A 1 c
ATOM 3301 H HZ3  . LYS Axp A    209 ? 135.192 139.989 197.644 1   132.366 ? 243 A 1 c
ATOM 3302 N N    . LEU Axp A    210 ? 138.194 136.423 192.282 1   57.051  ? 244 A 1 .
ATOM 3303 C CA   . LEU Axp A    210 ? 138.061 136.034 190.896 1   58.131  ? 244 A 1 .
ATOM 3304 C C    . LEU Axp A    210 ? 136.963 135.006 190.811 1   58.581  ? 244 A 1 .
ATOM 3305 O O    . LEU Axp A    210 ? 136.993 134.025 191.545 1   75.104  ? 244 A 1 .
ATOM 3306 C CB   . LEU Axp A    210 ? 139.347 135.428 190.349 1   59.795  ? 244 A 1 .
ATOM 3307 C CG   . LEU Axp A    210 ? 139.357 135.091 188.85  1   56.746  ? 244 A 1 .
ATOM 3308 C CD1  . LEU Axp A    210 ? 140.672 134.415 188.535 1   55.408  ? 244 A 1 .
ATOM 3309 C CD2  . LEU Axp A    210 ? 138.25  134.228 188.289 1   53.232  ? 244 A 1 .
ATOM 3310 H H    . LEU Axp A    210 ? 137.854 135.882 192.936 1   58.134  ? 244 A 1 c
ATOM 3311 H HA   . LEU Axp A    210 ? 137.813 136.829 190.36  1   58.215  ? 244 A 1 c
ATOM 3312 H HB3  . LEU Axp A    210 ? 139.535 134.602 190.853 1   58.758  ? 244 A 1 c
ATOM 3313 H HB2  . LEU Axp A    210 ? 140.083 136.056 190.53  1   58.686  ? 244 A 1 c
ATOM 3314 H HG   . LEU Axp A    210 ? 139.341 135.948 188.352 1   56.271  ? 244 A 1 c
ATOM 3315 H HD11 . LEU Axp A    210 ? 141.398 134.895 188.969 1   55.879  ? 244 A 1 c
ATOM 3316 H HD12 . LEU Axp A    210 ? 140.813 134.416 187.575 1   55.805  ? 244 A 1 c
ATOM 3317 H HD13 . LEU Axp A    210 ? 140.652 133.499 188.858 1   55.907  ? 244 A 1 c
ATOM 3318 H HD21 . LEU Axp A    210 ? 137.511 134.79  188.005 1   54.387  ? 244 A 1 c
ATOM 3319 H HD22 . LEU Axp A    210 ? 137.945 133.603 188.966 1   54.337  ? 244 A 1 c
ATOM 3320 H HD23 . LEU Axp A    210 ? 138.584 133.731 187.523 1   54.31   ? 244 A 1 c
ATOM 3321 N N    . LEU Axp A    211 ? 136.07  135.207 189.853 1   59.717  ? 245 A 1 .
ATOM 3322 C CA   . LEU Axp A    211 ? 135.026 134.237 189.607 1   76.978  ? 245 A 1 .
ATOM 3323 C C    . LEU Axp A    211 ? 134.452 134.502 188.23  1   78.992  ? 245 A 1 .
ATOM 3324 O O    . LEU Axp A    211 ? 134.46  135.644 187.78  1   92.928  ? 245 A 1 .
ATOM 3325 C CB   . LEU Axp A    211 ? 133.95  134.315 190.684 1   93.164  ? 245 A 1 .
ATOM 3326 C CG   . LEU Axp A    211 ? 133.303 135.688 190.903 1   104.008 ? 245 A 1 .
ATOM 3327 C CD1  . LEU Axp A    211 ? 134.385 136.741 191.158 1   95.776  ? 245 A 1 .
ATOM 3328 C CD2  . LEU Axp A    211 ? 132.321 136.097 189.779 1   99.323  ? 245 A 1 .
ATOM 3329 H H    . LEU Axp A    211 ? 136.129 135.946 189.318 1   63.357  ? 245 A 1 c
ATOM 3330 H HA   . LEU Axp A    211 ? 135.431 133.332 189.614 1   76.03   ? 245 A 1 c
ATOM 3331 H HB3  . LEU Axp A    211 ? 134.346 134.02  191.537 1   91.158  ? 245 A 1 c
ATOM 3332 H HB2  . LEU Axp A    211 ? 133.24  133.671 190.455 1   91.426  ? 245 A 1 c
ATOM 3333 H HG   . LEU Axp A    211 ? 132.767 135.628 191.735 1   99.486  ? 245 A 1 c
ATOM 3334 H HD11 . LEU Axp A    211 ? 135.078 136.368 191.726 1   97.093  ? 245 A 1 c
ATOM 3335 H HD12 . LEU Axp A    211 ? 133.987 137.507 191.605 1   97.61   ? 245 A 1 c
ATOM 3336 H HD13 . LEU Axp A    211 ? 134.767 137.029 190.316 1   96.49   ? 245 A 1 c
ATOM 3337 H HD21 . LEU Axp A    211 ? 131.989 135.301 189.33  1   100.265 ? 245 A 1 c
ATOM 3338 H HD22 . LEU Axp A    211 ? 132.777 136.664 189.136 1   99.913  ? 245 A 1 c
ATOM 3339 H HD23 . LEU Axp A    211 ? 131.574 136.584 190.164 1   100.44  ? 245 A 1 c
ATOM 3340 N N    . LEU Axp A    212 ? 133.932 133.448 187.6   1   70.608  ? 246 A 1 .
ATOM 3341 C CA   . LEU Axp A    212 ? 133.371 133.583 186.271 1   64.448  ? 246 A 1 .
ATOM 3342 C C    . LEU Axp A    212 ? 132.127 132.716 186.135 1   55.642  ? 246 A 1 .
ATOM 3343 O O    . LEU Axp A    212 ? 131.902 131.79  186.892 1   49.931  ? 246 A 1 .
ATOM 3344 C CB   . LEU Axp A    212 ? 134.458 133.252 185.261 1   60.733  ? 246 A 1 .
ATOM 3345 C CG   . LEU Axp A    212 ? 135.374 132.116 185.706 1   61.318  ? 246 A 1 .
ATOM 3346 C CD1  . LEU Axp A    212 ? 134.631 130.777 185.508 1   71.351  ? 246 A 1 .
ATOM 3347 C CD2  . LEU Axp A    212 ? 136.714 132.225 185.002 1   52.062  ? 246 A 1 .
ATOM 3348 H H    . LEU Axp A    212 ? 133.905 132.634 188.017 1   70.859  ? 246 A 1 c
ATOM 3349 H HA   . LEU Axp A    212 ? 133.099 134.524 186.149 1   62.991  ? 246 A 1 c
ATOM 3350 H HB3  . LEU Axp A    212 ? 135.004 134.059 185.118 1   61.179  ? 246 A 1 c
ATOM 3351 H HB2  . LEU Axp A    212 ? 134.032 133.004 184.408 1   61.657  ? 246 A 1 c
ATOM 3352 H HG   . LEU Axp A    212 ? 135.548 132.221 186.675 1   61.167  ? 246 A 1 c
ATOM 3353 H HD11 . LEU Axp A    212 ? 134.165 130.541 186.328 1   68.099  ? 246 A 1 c
ATOM 3354 H HD12 . LEU Axp A    212 ? 135.272 130.08  185.29  1   68.108  ? 246 A 1 c
ATOM 3355 H HD13 . LEU Axp A    212 ? 133.988 130.861 184.784 1   68.113  ? 246 A 1 c
ATOM 3356 H HD21 . LEU Axp A    212 ? 137.179 133.02  185.31  1   54.647  ? 246 A 1 c
ATOM 3357 H HD22 . LEU Axp A    212 ? 136.573 132.284 184.042 1   54.647  ? 246 A 1 c
ATOM 3358 H HD23 . LEU Axp A    212 ? 137.25  131.439 185.201 1   54.647  ? 246 A 1 c
ATOM 3359 N N    . THR Axp A    213 ? 131.301 133.076 185.166 1   54.945  ? 247 A 1 .
ATOM 3360 C CA   . THR Axp A    213 ? 129.932 132.615 185.101 1   55.093  ? 247 A 1 .
ATOM 3361 C C    . THR Axp A    213 ? 129.479 132.81  183.662 1   61.721  ? 247 A 1 .
ATOM 3362 O O    . THR Axp A    213 ? 130.252 133.276 182.826 1   67.528  ? 247 A 1 .
ATOM 3363 C CB   . THR Axp A    213 ? 129.057 133.367 186.113 1   55.004  ? 247 A 1 .
ATOM 3364 O OG1  . THR Axp A    213 ? 127.773 133.539 185.521 1   55.099  ? 247 A 1 .
ATOM 3365 C CG2  . THR Axp A    213 ? 129.509 134.783 186.418 1   55.045  ? 247 A 1 .
ATOM 3366 H H    . THR Axp A    213 ? 131.606 133.638 184.512 1   55.303  ? 247 A 1 c
ATOM 3367 H HA   . THR Axp A    213 ? 129.91  131.657 185.315 1   56.171  ? 247 A 1 c
ATOM 3368 H HB   . THR Axp A    213 ? 128.972 132.85  186.949 1   55.046  ? 247 A 1 c
ATOM 3369 H HG1  . THR Axp A    213 ? 127.671 133.811 184.776 0   61.51   ? 247 A 1 c
ATOM 3370 H HG21 . THR Axp A    213 ? 128.785 135.271 186.846 1   55.034  ? 247 A 1 c
ATOM 3371 H HG22 . THR Axp A    213 ? 129.755 135.231 185.591 1   55.033  ? 247 A 1 c
ATOM 3372 H HG23 . THR Axp A    213 ? 130.277 134.758 187.013 1   55.035  ? 247 A 1 c
ATOM 3373 N N    . ASN Axp A    214 ? 128.233 132.414 183.391 1   67.037  ? 248 A 1 .
ATOM 3374 C CA   . ASN Axp A    214 ? 127.641 132.516 182.068 1   71.302  ? 248 A 1 .
ATOM 3375 C C    . ASN Axp A    214 ? 126.527 133.56  182.094 1   69.906  ? 248 A 1 .
ATOM 3376 O O    . ASN Axp A    214 ? 125.925 133.844 181.05  1   54.497  ? 248 A 1 .
ATOM 3377 C CB   . ASN Axp A    214 ? 127.18  131.142 181.59  1   74.374  ? 248 A 1 .
ATOM 3378 C CG   . ASN Axp A    214 ? 128.244 130.076 181.76  1   77.103  ? 248 A 1 .
ATOM 3379 O OD1  . ASN Axp A    214 ? 129.214 130.005 180.995 1   75.863  ? 248 A 1 .
ATOM 3380 N ND2  . ASN Axp A    214 ? 128.079 129.216 182.753 1   82.741  ? 248 A 1 .
ATOM 3381 H H    . ASN Axp A    214 ? 127.739 132.032 184.059 1   66.631  ? 248 A 1 c
ATOM 3382 H HA   . ASN Axp A    214 ? 128.332 132.826 181.444 1   70.637  ? 248 A 1 c
ATOM 3383 H HB3  . ASN Axp A    214 ? 126.934 131.198 180.645 1   74.286  ? 248 A 1 c
ATOM 3384 H HB2  . ASN Axp A    214 ? 126.383 130.88  182.093 1   74.325  ? 248 A 1 c
ATOM 3385 H HD21 . ASN Axp A    214 ? 128.319 128.369 182.649 1   80.963  ? 248 A 1 c
ATOM 3386 H HD22 . ASN Axp A    214 ? 127.729 129.489 183.521 1   80.963  ? 248 A 1 c
ATOM 3387 N N    . ASP Axp A    215 ? 126.31  134.129 183.295 1   75.816  ? 249 A 1 .
ATOM 3388 C CA   . ASP Axp A    215 ? 125.297 135.141 183.535 1   81.827  ? 249 A 1 .
ATOM 3389 C C    . ASP Axp A    215 ? 125.95  136.499 183.77  1   71.084  ? 249 A 1 .
ATOM 3390 O O    . ASP Axp A    215 ? 126.53  136.744 184.832 1   62.367  ? 249 A 1 .
ATOM 3391 C CB   . ASP Axp A    215 ? 124.4   134.815 184.717 1   88.158  ? 249 A 1 .
ATOM 3392 C CG   . ASP Axp A    215 ? 123.365 135.887 185.041 1   89.979  ? 249 A 1 .
ATOM 3393 O OD1  . ASP Axp A    215 ? 122.701 136.386 184.094 1   94.258  ? 249 A 1 .
ATOM 3394 O OD2  . ASP Axp A    215 ? 123.228 136.22  186.232 1   78.509  ? 249 A 1 .
ATOM 3395 H H    . ASP Axp A    215 ? 126.829 133.875 184.002 1   75.382  ? 249 A 1 c
ATOM 3396 H HA   . ASP Axp A    215 ? 124.721 135.189 182.744 1   79.135  ? 249 A 1 c
ATOM 3397 H HB3  . ASP Axp A    215 ? 124.959 134.676 185.51  1   86.87   ? 249 A 1 c
ATOM 3398 H HB2  . ASP Axp A    215 ? 123.926 133.978 184.532 1   87.036  ? 249 A 1 c
ATOM 3399 N N    . PRO Axp A    216 ? 125.768 137.434 182.811 1   62.832  ? 250 A 1 .
ATOM 3400 C CA   . PRO Axp A    216 ? 126.369 138.755 182.866 1   67.667  ? 250 A 1 .
ATOM 3401 C C    . PRO Axp A    216 ? 125.977 139.555 184.103 1   72.444  ? 250 A 1 .
ATOM 3402 O O    . PRO Axp A    216 ? 126.835 139.964 184.892 1   74.049  ? 250 A 1 .
ATOM 3403 C CB   . PRO Axp A    216 ? 125.853 139.429 181.594 1   64.7    ? 250 A 1 .
ATOM 3404 C CG   . PRO Axp A    216 ? 124.561 138.704 181.314 1   63.278  ? 250 A 1 .
ATOM 3405 C CD   . PRO Axp A    216 ? 124.874 137.289 181.658 1   61.806  ? 250 A 1 .
ATOM 3406 H HA   . PRO Axp A    216 ? 127.345 138.672 182.824 1   66.986  ? 250 A 1 c
ATOM 3407 H HB3  . PRO Axp A    216 ? 126.486 139.319 180.861 1   65.378  ? 250 A 1 c
ATOM 3408 H HB2  . PRO Axp A    216 ? 125.695 140.383 181.74  1   65.131  ? 250 A 1 c
ATOM 3409 H HG3  . PRO Axp A    216 ? 124.311 138.784 180.372 1   63.279  ? 250 A 1 c
ATOM 3410 H HG2  . PRO Axp A    216 ? 123.833 139.046 181.866 1   63.39   ? 250 A 1 c
ATOM 3411 H HD3  . PRO Axp A    216 ? 124.064 136.802 181.899 1   62.791  ? 250 A 1 c
ATOM 3412 H HD2  . PRO Axp A    216 ? 125.323 136.831 180.923 1   62.701  ? 250 A 1 c
ATOM 3413 N N    . LEU Axp A    217 ? 124.672 139.774 184.279 1   73.7    ? 251 A 1 .
ATOM 3414 C CA   . LEU Axp A    217 ? 124.225 140.699 185.302 1   75.149  ? 251 A 1 .
ATOM 3415 C C    . LEU Axp A    217 ? 124.559 140.061 186.656 1   69.256  ? 251 A 1 .
ATOM 3416 O O    . LEU Axp A    217 ? 123.846 140.256 187.631 1   75.837  ? 251 A 1 .
ATOM 3417 C CB   . LEU Axp A    217 ? 122.749 141.101 185.106 1   75.5    ? 251 A 1 .
ATOM 3418 C CG   . LEU Axp A    217 ? 122.257 141.519 183.693 1   77.397  ? 251 A 1 .
ATOM 3419 C CD1  . LEU Axp A    217 ? 120.915 142.265 183.737 1   68.201  ? 251 A 1 .
ATOM 3420 C CD2  . LEU Axp A    217 ? 123.176 142.352 182.776 1   78.489  ? 251 A 1 .
ATOM 3421 H H    . LEU Axp A    217 ? 124.052 139.321 183.785 1   73.408  ? 251 A 1 c
ATOM 3422 H HA   . LEU Axp A    217 ? 124.778 141.518 185.221 1   73.8    ? 251 A 1 c
ATOM 3423 H HB3  . LEU Axp A    217 ? 122.556 141.843 185.724 1   75.842  ? 251 A 1 c
ATOM 3424 H HB2  . LEU Axp A    217 ? 122.192 140.347 185.408 1   75.842  ? 251 A 1 c
ATOM 3425 H HG   . LEU Axp A    217 ? 122.081 140.677 183.198 1   75.431  ? 251 A 1 c
ATOM 3426 H HD11 . LEU Axp A    217 ? 120.286 141.771 184.289 1   70.784  ? 251 A 1 c
ATOM 3427 H HD12 . LEU Axp A    217 ? 120.558 142.348 182.837 1   70.82   ? 251 A 1 c
ATOM 3428 H HD13 . LEU Axp A    217 ? 121.048 143.151 184.114 1   70.783  ? 251 A 1 c
ATOM 3429 H HD21 . LEU Axp A    217 ? 124.029 141.898 182.672 1   78.119  ? 251 A 1 c
ATOM 3430 H HD22 . LEU Axp A    217 ? 123.322 143.227 183.172 1   78.148  ? 251 A 1 c
ATOM 3431 H HD23 . LEU Axp A    217 ? 122.758 142.457 181.905 1   78.108  ? 251 A 1 c
ATOM 3432 N N    . GLU Axp A    218 ? 125.654 139.285 186.694 1   62.865  ? 252 A 1 .
ATOM 3433 C CA   . GLU Axp A    218 ? 126.116 138.59  187.887 1   70.327  ? 252 A 1 .
ATOM 3434 C C    . GLU Axp A    218 ? 127.633 138.725 187.998 1   71.862  ? 252 A 1 .
ATOM 3435 O O    . GLU Axp A    218 ? 128.23  138.444 189.042 1   69.829  ? 252 A 1 .
ATOM 3436 C CB   . GLU Axp A    218 ? 125.724 137.116 187.776 1   79.265  ? 252 A 1 .
ATOM 3437 C CG   . GLU Axp A    218 ? 125.721 136.349 189.101 1   83.331  ? 252 A 1 .
ATOM 3438 C CD   . GLU Axp A    218 ? 125.413 134.867 188.91  1   89.46   ? 252 A 1 .
ATOM 3439 O OE1  . GLU Axp A    218 ? 124.371 134.533 188.288 1   85.518  ? 252 A 1 .
ATOM 3440 O OE2  . GLU Axp A    218 ? 126.232 134.031 189.356 1   90.498  ? 252 A 1 .
ATOM 3441 H H    . GLU Axp A    218 ? 126.118 139.156 185.922 1   66.44   ? 252 A 1 c
ATOM 3442 H HA   . GLU Axp A    218 ? 125.693 138.997 188.685 1   70.609  ? 252 A 1 c
ATOM 3443 H HB3  . GLU Axp A    218 ? 126.347 136.669 187.168 1   77.852  ? 252 A 1 c
ATOM 3444 H HB2  . GLU Axp A    218 ? 124.833 137.061 187.383 1   77.888  ? 252 A 1 c
ATOM 3445 H HG3  . GLU Axp A    218 ? 125.048 136.738 189.699 1   83.721  ? 252 A 1 c
ATOM 3446 H HG2  . GLU Axp A    218 ? 126.598 136.438 189.53  1   83.645  ? 252 A 1 c
ATOM 3447 N N    . ALA Axp A    219 ? 128.249 139.093 186.87  1   76.605  ? 253 A 1 .
ATOM 3448 C CA   . ALA Axp A    219 ? 129.65  139.475 186.798 1   75.206  ? 253 A 1 .
ATOM 3449 C C    . ALA Axp A    219 ? 129.753 140.996 186.874 1   70.932  ? 253 A 1 .
ATOM 3450 O O    . ALA Axp A    219 ? 130.721 141.56  187.385 1   58.426  ? 253 A 1 .
ATOM 3451 C CB   . ALA Axp A    219 ? 130.24  138.955 185.507 1   74.731  ? 253 A 1 .
ATOM 3452 H H    . ALA Axp A    219 ? 127.779 139.062 186.089 1   74.846  ? 253 A 1 c
ATOM 3453 H HA   . ALA Axp A    219 ? 130.132 139.079 187.57  1   74.299  ? 253 A 1 c
ATOM 3454 H HB3  . ALA Axp A    219 ? 131.049 139.448 185.295 1   74.514  ? 253 A 1 c
ATOM 3455 H HB2  . ALA Axp A    219 ? 129.599 139.069 184.785 1   74.44   ? 253 A 1 c
ATOM 3456 H HB1  . ALA Axp A    219 ? 130.453 138.012 185.601 1   74.541  ? 253 A 1 c
ATOM 3457 N N    . ALA Axp A    220 ? 128.72  141.646 186.33  1   73.969  ? 254 A 1 .
ATOM 3458 C CA   . ALA Axp A    220 ? 128.586 143.085 186.404 1   70.582  ? 254 A 1 .
ATOM 3459 C C    . ALA Axp A    220 ? 127.779 143.42  187.636 1   66.951  ? 254 A 1 .
ATOM 3460 O O    . ALA Axp A    220 ? 126.931 144.288 187.548 1   79.62   ? 254 A 1 .
ATOM 3461 C CB   . ALA Axp A    220 ? 127.874 143.611 185.174 1   69.672  ? 254 A 1 .
ATOM 3462 H H    . ALA Axp A    220 ? 128.081 141.175 185.879 1   72.512  ? 254 A 1 c
ATOM 3463 H HA   . ALA Axp A    220 ? 129.489 143.499 186.481 1   70.064  ? 254 A 1 c
ATOM 3464 H HB3  . ALA Axp A    220 ? 127.793 144.578 185.23  1   69.828  ? 254 A 1 c
ATOM 3465 H HB2  . ALA Axp A    220 ? 126.988 143.216 185.114 1   69.943  ? 254 A 1 c
ATOM 3466 H HB1  . ALA Axp A    220 ? 128.382 143.38  184.379 1   69.83   ? 254 A 1 c
ATOM 3467 N N    . HIS Axp A    221 ? 127.993 142.705 188.743 1   64.183  ? 255 A 1 .
ATOM 3468 C CA   . HIS Axp A    221 ? 127.214 143.001 189.929 1   64.667  ? 255 A 1 .
ATOM 3469 C C    . HIS Axp A    221 ? 127.887 144.163 190.631 1   58.698  ? 255 A 1 .
ATOM 3470 O O    . HIS Axp A    221 ? 127.543 145.327 190.414 1   61.115  ? 255 A 1 .
ATOM 3471 C CB   . HIS Axp A    221 ? 127.017 141.805 190.873 1   65.811  ? 255 A 1 .
ATOM 3472 C CG   . HIS Axp A    221 ? 125.785 141.974 191.716 1   67.129  ? 255 A 1 .
ATOM 3473 N ND1  . HIS Axp A    221 ? 124.537 141.962 191.116 1   62.576  ? 255 A 1 .
ATOM 3474 C CD2  . HIS Axp A    221 ? 125.566 142.209 193.02  1   68.776  ? 255 A 1 .
ATOM 3475 C CE1  . HIS Axp A    221 ? 123.597 142.136 192.023 1   62.597  ? 255 A 1 .
ATOM 3476 N NE2  . HIS Axp A    221 ? 124.203 142.297 193.187 1   76.006  ? 255 A 1 .
ATOM 3477 H H    . HIS Axp A    221 ? 128.629 142.05  188.771 1   65.078  ? 255 A 1 c
ATOM 3478 H HA   . HIS Axp A    221 ? 126.32  143.301 189.633 1   63.844  ? 255 A 1 c
ATOM 3479 H HB3  . HIS Axp A    221 ? 127.798 141.71  191.456 1   65.618  ? 255 A 1 c
ATOM 3480 H HB2  . HIS Axp A    221 ? 126.929 140.987 190.336 1   65.807  ? 255 A 1 c
ATOM 3481 H HD1  . HIS Axp A    221 ? 124.371 142.112 190.315 0   65.84   ? 255 A 1 c
ATOM 3482 H HD2  . HIS Axp A    221 ? 126.21  142.28  193.697 1   69.85   ? 255 A 1 c
ATOM 3483 H HE1  . HIS Axp A    221 ? 122.668 142.16  191.87  1   65.515  ? 255 A 1 c
ATOM 3484 H HE2  . HIS Axp A    221 ? 124.108 141.999 194.111 0   67.98   ? 255 A 1 c
ATOM 3485 N N    . GLY Axp A    222 ? 128.885 143.817 191.439 1   53.448  ? 256 A 1 .
ATOM 3486 C CA   . GLY Axp A    222 ? 129.594 144.813 192.214 1   55.005  ? 256 A 1 .
ATOM 3487 C C    . GLY Axp A    222 ? 130.523 145.639 191.339 1   52.105  ? 256 A 1 .
ATOM 3488 O O    . GLY Axp A    222 ? 131.311 146.408 191.871 1   45.184  ? 256 A 1 .
ATOM 3489 H H    . GLY Axp A    222 ? 129.16  142.947 191.486 1   55.243  ? 256 A 1 c
ATOM 3490 H HA3  . GLY Axp A    222 ? 130.118 144.361 192.917 1   53.985  ? 256 A 1 c
ATOM 3491 H HA2  . GLY Axp A    222 ? 128.941 145.406 192.655 1   54.033  ? 256 A 1 c
ATOM 3492 N N    . GLY Axp A    223 ? 130.416 145.472 190.013 1   56.694  ? 257 A 1 .
ATOM 3493 C CA   . GLY Axp A    223 ? 131.461 145.886 189.089 1   60.956  ? 257 A 1 .
ATOM 3494 C C    . GLY Axp A    223 ? 131.756 147.38  189.164 1   54.93   ? 257 A 1 .
ATOM 3495 O O    . GLY Axp A    223 ? 130.849 148.195 189.035 1   54.364  ? 257 A 1 .
ATOM 3496 H H    . GLY Axp A    223 ? 129.658 145.102 189.666 1   56.471  ? 257 A 1 c
ATOM 3497 H HA3  . GLY Axp A    223 ? 131.179 145.661 188.175 1   58.42   ? 257 A 1 c
ATOM 3498 H HA2  . GLY Axp A    223 ? 132.282 145.376 189.286 1   58.351  ? 257 A 1 c
ATOM 3499 N N    . ASN Axp A    224 ? 133.033 147.718 189.357 1   46.034  ? 258 A 1 .
ATOM 3500 C CA   . ASN Axp A    224 ? 133.456 149.098 189.346 1   46.071  ? 258 A 1 .
ATOM 3501 C C    . ASN Axp A    224 ? 133.536 149.557 187.91  1   44.467  ? 258 A 1 .
ATOM 3502 O O    . ASN Axp A    224 ? 132.902 150.508 187.488 1   53.512  ? 258 A 1 .
ATOM 3503 C CB   . ASN Axp A    224 ? 134.819 149.239 189.989 1   49.528  ? 258 A 1 .
ATOM 3504 C CG   . ASN Axp A    224 ? 134.663 149.028 191.461 1   57.311  ? 258 A 1 .
ATOM 3505 O OD1  . ASN Axp A    224 ? 135.143 148.028 192.013 1   69.607  ? 258 A 1 .
ATOM 3506 N ND2  . ASN Axp A    224 ? 133.948 149.956 192.077 1   65.069  ? 258 A 1 .
ATOM 3507 H H    . ASN Axp A    224 ? 133.657 147.066 189.499 1   48.21   ? 258 A 1 c
ATOM 3508 H HA   . ASN Axp A    224 ? 132.809 149.649 189.842 1   46.684  ? 258 A 1 c
ATOM 3509 H HB3  . ASN Axp A    224 ? 135.179 150.132 189.817 1   50.397  ? 258 A 1 c
ATOM 3510 H HB2  . ASN Axp A    224 ? 135.435 148.574 189.622 1   50.266  ? 258 A 1 c
ATOM 3511 H HD21 . ASN Axp A    224 ? 133.575 149.777 192.862 1   62.368  ? 258 A 1 c
ATOM 3512 H HD22 . ASN Axp A    224 ? 133.841 150.753 191.707 1   61.704  ? 258 A 1 c
ATOM 3513 N N    . VAL Axp A    225 ? 134.355 148.846 187.166 1   41.403  ? 259 A 1 .
ATOM 3514 C CA   . VAL Axp A    225 ? 134.502 149.129 185.76  1   39.513  ? 259 A 1 .
ATOM 3515 C C    . VAL Axp A    225 ? 134.001 147.901 185.03  1   37.121  ? 259 A 1 .
ATOM 3516 O O    . VAL Axp A    225 ? 134.544 146.813 185.185 1   40.447  ? 259 A 1 .
ATOM 3517 C CB   . VAL Axp A    225 ? 135.965 149.426 185.407 1   41.566  ? 259 A 1 .
ATOM 3518 C CG1  . VAL Axp A    225 ? 136.938 148.682 186.315 1   42.927  ? 259 A 1 .
ATOM 3519 C CG2  . VAL Axp A    225 ? 136.231 149.108 183.941 1   42.712  ? 259 A 1 .
ATOM 3520 H H    . VAL Axp A    225 ? 134.81  148.143 187.529 1   41.82   ? 259 A 1 c
ATOM 3521 H HA   . VAL Axp A    225 ? 133.95  149.894 185.523 1   39.718  ? 259 A 1 c
ATOM 3522 H HB   . VAL Axp A    225 ? 136.112 150.387 185.541 1   41.463  ? 259 A 1 c
ATOM 3523 H HG11 . VAL Axp A    225 ? 136.643 147.765 186.429 1   42.332  ? 259 A 1 c
ATOM 3524 H HG12 . VAL Axp A    225 ? 136.975 149.121 187.182 1   42.401  ? 259 A 1 c
ATOM 3525 H HG13 . VAL Axp A    225 ? 137.821 148.685 185.915 1   42.129  ? 259 A 1 c
ATOM 3526 H HG21 . VAL Axp A    225 ? 137.022 149.585 183.645 1   42.121  ? 259 A 1 c
ATOM 3527 H HG22 . VAL Axp A    225 ? 135.47  149.383 183.403 1   42.25   ? 259 A 1 c
ATOM 3528 H HG23 . VAL Axp A    225 ? 136.375 148.153 183.835 1   42.217  ? 259 A 1 c
ATOM 3529 N N    . LEU Axp A    226 ? 132.957 148.059 184.243 1   35.794  ? 260 A 1 .
ATOM 3530 C CA   . LEU Axp A    226 ? 132.504 146.894 183.518 1   40.793  ? 260 A 1 .
ATOM 3531 C C    . LEU Axp A    226 ? 133.048 147.035 182.099 1   40.7    ? 260 A 1 .
ATOM 3532 O O    . LEU Axp A    226 ? 133.057 148.12  181.548 1   31.887  ? 260 A 1 .
ATOM 3533 C CB   . LEU Axp A    226 ? 130.989 146.699 183.605 1   44.115  ? 260 A 1 .
ATOM 3534 C CG   . LEU Axp A    226 ? 130.133 147.934 183.319 1   48.316  ? 260 A 1 .
ATOM 3535 C CD1  . LEU Axp A    226 ? 130.195 148.33  181.846 1   53.617  ? 260 A 1 .
ATOM 3536 C CD2  . LEU Axp A    226 ? 128.696 147.709 183.769 1   45.696  ? 260 A 1 .
ATOM 3537 H H    . LEU Axp A    226 ? 132.545 148.867 184.138 1   37.363  ? 260 A 1 c
ATOM 3538 H HA   . LEU Axp A    226 ? 132.939 146.105 183.918 1   40.376  ? 260 A 1 c
ATOM 3539 H HB3  . LEU Axp A    226 ? 130.773 146.378 184.511 1   44.252  ? 260 A 1 c
ATOM 3540 H HB2  . LEU Axp A    226 ? 130.734 145.989 182.971 1   44.287  ? 260 A 1 c
ATOM 3541 H HG   . LEU Axp A    226 ? 130.494 148.69  183.849 1   47.764  ? 260 A 1 c
ATOM 3542 H HD11 . LEU Axp A    226 ? 130.767 149.107 181.748 1   51.663  ? 260 A 1 c
ATOM 3543 H HD12 . LEU Axp A    226 ? 129.301 148.548 181.53  1   51.778  ? 260 A 1 c
ATOM 3544 H HD13 . LEU Axp A    226 ? 130.549 147.593 181.321 1   51.565  ? 260 A 1 c
ATOM 3545 H HD21 . LEU Axp A    226 ? 128.684 147.459 184.709 1   46.452  ? 260 A 1 c
ATOM 3546 H HD22 . LEU Axp A    226 ? 128.298 146.997 183.241 1   46.485  ? 260 A 1 c
ATOM 3547 H HD23 . LEU Axp A    226 ? 128.184 148.527 183.646 1   46.49   ? 260 A 1 c
ATOM 3548 N N    . ILE Axp A    227 ? 133.539 145.912 181.563 1   47.044  ? 261 A 1 .
ATOM 3549 C CA   . ILE Axp A    227 ? 134.259 145.828 180.309 1   39.068  ? 261 A 1 .
ATOM 3550 C C    . ILE Axp A    227 ? 133.585 144.787 179.442 1   37.994  ? 261 A 1 .
ATOM 3551 O O    . ILE Axp A    227 ? 133.319 143.669 179.881 1   37.103  ? 261 A 1 .
ATOM 3552 C CB   . ILE Axp A    227 ? 135.697 145.369 180.555 1   36.664  ? 261 A 1 .
ATOM 3553 C CG1  . ILE Axp A    227 ? 136.415 146.248 181.543 1   35.123  ? 261 A 1 .
ATOM 3554 C CG2  . ILE Axp A    227 ? 136.443 145.264 179.237 1   38.225  ? 261 A 1 .
ATOM 3555 C CD1  . ILE Axp A    227 ? 137.453 145.495 182.345 1   33.095  ? 261 A 1 .
ATOM 3556 H H    . ILE Axp A    227 ? 133.405 145.134 182.022 1   43.452  ? 261 A 1 c
ATOM 3557 H HA   . ILE Axp A    227 ? 134.257 146.696 179.862 1   39.788  ? 261 A 1 c
ATOM 3558 H HB   . ILE Axp A    227 ? 135.655 144.471 180.941 1   37.045  ? 261 A 1 c
ATOM 3559 H HG12 . ILE Axp A    227 ? 135.764 146.643 182.158 1   35.149  ? 261 A 1 c
ATOM 3560 H HG13 . ILE Axp A    227 ? 136.855 146.976 181.06  1   35.029  ? 261 A 1 c
ATOM 3561 H HG21 . ILE Axp A    227 ? 137.395 145.38  179.391 1   37.738  ? 261 A 1 c
ATOM 3562 H HG22 . ILE Axp A    227 ? 136.129 145.954 178.628 1   37.783  ? 261 A 1 c
ATOM 3563 H HG23 . ILE Axp A    227 ? 136.286 144.39  178.842 1   37.806  ? 261 A 1 c
ATOM 3564 H HD11 . ILE Axp A    227 ? 137.038 144.73  182.784 1   33.714  ? 261 A 1 c
ATOM 3565 H HD12 . ILE Axp A    227 ? 137.836 146.087 183.02  1   33.695  ? 261 A 1 c
ATOM 3566 H HD13 . ILE Axp A    227 ? 138.161 145.183 181.751 1   33.715  ? 261 A 1 c
ATOM 3567 N N    . THR Axp A    228 ? 133.446 145.139 178.18  1   39.071  ? 262 A 1 .
ATOM 3568 C CA   . THR Axp A    228 ? 132.97  144.198 177.197 1   47.492  ? 262 A 1 .
ATOM 3569 C C    . THR Axp A    228 ? 133.791 144.343 175.933 1   55.795  ? 262 A 1 .
ATOM 3570 O O    . THR Axp A    228 ? 134.667 145.192 175.831 1   56.837  ? 262 A 1 .
ATOM 3571 C CB   . THR Axp A    228 ? 131.52  144.508 176.871 1   53.89   ? 262 A 1 .
ATOM 3572 O OG1  . THR Axp A    228 ? 131.069 143.533 175.924 1   53.698  ? 262 A 1 .
ATOM 3573 C CG2  . THR Axp A    228 ? 131.414 145.896 176.264 1   60.546  ? 262 A 1 .
ATOM 3574 H H    . THR Axp A    228 ? 133.67  145.985 177.916 1   40.87   ? 262 A 1 c
ATOM 3575 H HA   . THR Axp A    228 ? 133.049 143.285 177.543 1   48.046  ? 262 A 1 c
ATOM 3576 H HB   . THR Axp A    228 ? 130.969 144.457 177.688 1   53.759  ? 262 A 1 c
ATOM 3577 H HG1  . THR Axp A    228 ? 131.499 143.757 175.258 0   43.12   ? 262 A 1 c
ATOM 3578 H HG21 . THR Axp A    228 ? 130.61  146.329 176.588 1   58.589  ? 262 A 1 c
ATOM 3579 H HG22 . THR Axp A    228 ? 131.37  145.823 175.296 1   58.382  ? 262 A 1 c
ATOM 3580 H HG23 . THR Axp A    228 ? 132.187 146.427 176.51  1   58.032  ? 262 A 1 c
ATOM 3581 N N    . ASP Axp A    229 ? 133.406 143.54  174.946 1   71.318  ? 263 A 1 .
ATOM 3582 C CA   . ASP Axp A    229 ? 134.066 143.516 173.662 1   73.624  ? 263 A 1 .
ATOM 3583 C C    . ASP Axp A    229 ? 133.297 142.587 172.738 1   80.346  ? 263 A 1 .
ATOM 3584 O O    . ASP Axp A    229 ? 132.925 141.475 173.107 1   74.651  ? 263 A 1 .
ATOM 3585 C CB   . ASP Axp A    229 ? 135.492 143.01  173.756 1   74.458  ? 263 A 1 .
ATOM 3586 C CG   . ASP Axp A    229 ? 136.192 142.903 172.415 1   71.619  ? 263 A 1 .
ATOM 3587 O OD1  . ASP Axp A    229 ? 136.253 143.925 171.708 1   76.645  ? 263 A 1 .
ATOM 3588 O OD2  . ASP Axp A    229 ? 136.642 141.802 172.086 1   69.293  ? 263 A 1 .
ATOM 3589 H H    . ASP Axp A    229 ? 132.702 142.973 175.085 1   67.56   ? 263 A 1 c
ATOM 3590 H HA   . ASP Axp A    229 ? 134.065 144.427 173.29  1   74.86   ? 263 A 1 c
ATOM 3591 H HB3  . ASP Axp A    229 ? 135.486 142.124 174.175 1   73.348  ? 263 A 1 c
ATOM 3592 H HB2  . ASP Axp A    229 ? 136.017 143.612 174.325 1   73.362  ? 263 A 1 c
ATOM 3593 N N    . THR Axp A    230 ? 133.104 143.083 171.519 1   107.069 ? 264 A 1 .
ATOM 3594 C CA   . THR Axp A    230 ? 132.39  142.389 170.461 1   121.97  ? 264 A 1 .
ATOM 3595 C C    . THR Axp A    230 ? 132.641 140.898 170.59  1   116.562 ? 264 A 1 .
ATOM 3596 O O    . THR Axp A    230 ? 133.753 140.464 170.892 1   136.081 ? 264 A 1 .
ATOM 3597 C CB   . THR Axp A    230 ? 132.837 142.884 169.081 1   124.657 ? 264 A 1 .
ATOM 3598 O OG1  . THR Axp A    230 ? 133.962 142.092 168.712 1   108.994 ? 264 A 1 .
ATOM 3599 C CG2  . THR Axp A    230 ? 133.238 144.35  169.052 1   128.847 ? 264 A 1 .
ATOM 3600 H H    . THR Axp A    230 ? 133.424 143.92  171.346 1   102.923 ? 264 A 1 c
ATOM 3601 H HA   . THR Axp A    230 ? 131.433 142.56  170.564 1   117.879 ? 264 A 1 c
ATOM 3602 H HB   . THR Axp A    230 ? 132.109 142.738 168.43  1   121.682 ? 264 A 1 c
ATOM 3603 H HG1  . THR Axp A    230 ? 134.593 142.211 169.244 0   84.42   ? 264 A 1 c
ATOM 3604 H HG21 . THR Axp A    230 ? 133.49  144.594 168.148 1   127.275 ? 264 A 1 c
ATOM 3605 H HG22 . THR Axp A    230 ? 133.995 144.496 169.642 1   127.048 ? 264 A 1 c
ATOM 3606 H HG23 . THR Axp A    230 ? 132.491 144.899 169.339 1   126.945 ? 264 A 1 c
ATOM 3607 N N    . TRP Axp A    231 ? 131.602 140.123 170.322 1   103.123 ? 265 A 1 .
ATOM 3608 C CA   . TRP Axp A    231 ? 131.783 138.69  170.264 1   119.511 ? 265 A 1 .
ATOM 3609 C C    . TRP Axp A    231 ? 131.997 138.28  168.81  1   148.31  ? 265 A 1 .
ATOM 3610 O O    . TRP Axp A    231 ? 132.615 137.247 168.542 1   140     ? 265 A 1 .
ATOM 3611 C CB   . TRP Axp A    231 ? 130.559 137.997 170.853 1   118.979 ? 265 A 1 .
ATOM 3612 C CG   . TRP Axp A    231 ? 129.667 138.917 171.631 1   101.494 ? 265 A 1 .
ATOM 3613 C CD1  . TRP Axp A    231 ? 130.023 139.774 172.624 1   101.769 ? 265 A 1 .
ATOM 3614 C CD2  . TRP Axp A    231 ? 128.249 139.077 171.431 1   103.088 ? 265 A 1 .
ATOM 3615 N NE1  . TRP Axp A    231 ? 128.918 140.432 173.085 1   113.17  ? 265 A 1 .
ATOM 3616 C CE2  . TRP Axp A    231 ? 127.816 140.033 172.366 1   119.353 ? 265 A 1 .
ATOM 3617 C CE3  . TRP Axp A    231 ? 127.31  138.506 170.565 1   112.825 ? 265 A 1 .
ATOM 3618 C CZ2  . TRP Axp A    231 ? 126.478 140.433 172.443 1   141.57  ? 265 A 1 .
ATOM 3619 C CZ3  . TRP Axp A    231 ? 125.99  138.896 170.648 1   121.812 ? 265 A 1 .
ATOM 3620 C CH2  . TRP Axp A    231 ? 125.578 139.841 171.582 1   126.281 ? 265 A 1 .
ATOM 3621 H H    . TRP Axp A    231 ? 130.781 140.486 170.152 1   110.664 ? 265 A 1 c
ATOM 3622 H HA   . TRP Axp A    231 ? 132.584 138.436 170.797 1   120.765 ? 265 A 1 c
ATOM 3623 H HB3  . TRP Axp A    231 ? 130.868 137.277 171.442 1   114.63  ? 265 A 1 c
ATOM 3624 H HB2  . TRP Axp A    231 ? 130.042 137.595 170.123 1   114.935 ? 265 A 1 c
ATOM 3625 H HD1  . TRP Axp A    231 ? 130.891 139.874 172.979 1   104.254 ? 265 A 1 c
ATOM 3626 H HE1  . TRP Axp A    231 ? 128.92  141.022 173.725 1   111.593 ? 265 A 1 c
ATOM 3627 H HE3  . TRP Axp A    231 ? 127.578 137.86  169.934 1   112.741 ? 265 A 1 c
ATOM 3628 H HZ2  . TRP Axp A    231 ? 126.199 141.073 173.075 1   132.043 ? 265 A 1 c
ATOM 3629 H HZ3  . TRP Axp A    231 ? 125.355 138.512 170.067 1   120.613 ? 265 A 1 c
ATOM 3630 H HH2  . TRP Axp A    231 ? 124.673 140.096 171.615 1   128.274 ? 265 A 1 c
ATOM 3631 N N    . ILE Axp A    232 ? 131.45  139.106 167.896 1   182.806 ? 266 A 1 .
ATOM 3632 C CA   . ILE Axp A    232 ? 131.56  138.911 166.455 1   181.211 ? 266 A 1 .
ATOM 3633 C C    . ILE Axp A    232 ? 132.911 139.46  165.997 1   182.248 ? 266 A 1 .
ATOM 3634 O O    . ILE Axp A    232 ? 132.984 140.54  165.418 1   193.552 ? 266 A 1 .
ATOM 3635 C CB   . ILE Axp A    232 ? 130.384 139.572 165.697 1   163.466 ? 266 A 1 .
ATOM 3636 C CG1  . ILE Axp A    232 ? 129.019 139.047 166.176 1   137.113 ? 266 A 1 .
ATOM 3637 C CG2  . ILE Axp A    232 ? 130.554 139.417 164.18  1   160.05  ? 266 A 1 .
ATOM 3638 C CD1  . ILE Axp A    232 ? 127.83  139.683 165.482 1   123.251 ? 266 A 1 .
ATOM 3639 H H    . ILE Axp A    232 ? 130.973 139.827 168.19  1   171.224 ? 266 A 1 c
ATOM 3640 H HA   . ILE Axp A    232 ? 131.538 137.951 166.273 1   177.88  ? 266 A 1 c
ATOM 3641 H HB   . ILE Axp A    232 ? 130.411 140.529 165.898 1   160.744 ? 266 A 1 c
ATOM 3642 H HG12 . ILE Axp A    232 ? 128.941 139.206 167.138 1   139.606 ? 266 A 1 c
ATOM 3643 H HG13 . ILE Axp A    232 ? 128.987 138.08  166.029 1   139.294 ? 266 A 1 c
ATOM 3644 H HG21 . ILE Axp A    232 ? 129.684 139.392 163.751 1   160.176 ? 266 A 1 c
ATOM 3645 H HG22 . ILE Axp A    232 ? 131.029 138.591 163.988 1   161.08  ? 266 A 1 c
ATOM 3646 H HG23 . ILE Axp A    232 ? 131.061 140.168 163.83  1   161.129 ? 266 A 1 c
ATOM 3647 H HD11 . ILE Axp A    232 ? 128.053 140.596 165.217 1   127.403 ? 266 A 1 c
ATOM 3648 H HD12 . ILE Axp A    232 ? 127.07  139.701 166.094 1   127.204 ? 266 A 1 c
ATOM 3649 H HD13 . ILE Axp A    232 ? 127.595 139.164 164.69  1   127.409 ? 266 A 1 c
ATOM 3650 N N    . SER Axp A    233 ? 133.972 138.685 166.261 1   166.318 ? 267 A 1 .
ATOM 3651 C CA   . SER Axp A    233 ? 135.332 139.03  165.888 1   167.247 ? 267 A 1 .
ATOM 3652 C C    . SER Axp A    233 ? 135.512 138.9   164.37  1   221.284 ? 267 A 1 .
ATOM 3653 O O    . SER Axp A    233 ? 136.598 139.179 163.86  1   276.855 ? 267 A 1 .
ATOM 3654 C CB   . SER Axp A    233 ? 136.304 138.155 166.662 1   136.934 ? 267 A 1 .
ATOM 3655 O OG   . SER Axp A    233 ? 137.653 138.416 166.305 1   130.834 ? 267 A 1 .
ATOM 3656 H H    . SER Axp A    233 ? 133.833 137.893 166.695 1   169.713 ? 267 A 1 c
ATOM 3657 H HA   . SER Axp A    233 ? 135.492 139.975 166.14  1   169.669 ? 267 A 1 c
ATOM 3658 H HB3  . SER Axp A    233 ? 136.101 137.217 166.487 1   141.877 ? 267 A 1 c
ATOM 3659 H HB2  . SER Axp A    233 ? 136.188 138.315 167.618 1   141.744 ? 267 A 1 c
ATOM 3660 H HG   . SER Axp A    233 ? 138.22  138.234 166.482 0   128.59  ? 267 A 1 c
ATOM 3661 N N    . MET Axp A    234 ? 134.436 138.476 163.67  1   228.778 ? 268 A 1 .
ATOM 3662 C CA   . MET Axp A    234 ? 134.431 138.128 162.251 1   200.019 ? 268 A 1 .
ATOM 3663 C C    . MET Axp A    234 ? 135.241 136.843 162.031 1   182.835 ? 268 A 1 .
ATOM 3664 O O    . MET Axp A    234 ? 135.746 136.595 160.935 1   155.35  ? 268 A 1 .
ATOM 3665 C CB   . MET Axp A    234 ? 134.895 139.299 161.369 1   187.961 ? 268 A 1 .
ATOM 3666 C CG   . MET Axp A    234 ? 133.937 140.493 161.351 1   174.792 ? 268 A 1 .
ATOM 3667 S SD   . MET Axp A    234 ? 134.096 141.717 162.674 1   165.11  ? 268 A 1 .
ATOM 3668 C CE   . MET Axp A    234 ? 135.434 142.789 162.126 1   143.78  ? 268 A 1 .
ATOM 3669 H H    . MET Axp A    234 ? 133.646 138.39  164.118 1   218.825 ? 268 A 1 c
ATOM 3670 H HA   . MET Axp A    234 ? 133.493 137.918 162.011 1   199.522 ? 268 A 1 c
ATOM 3671 H HB3  . MET Axp A    234 ? 135.003 138.971 160.45  1   187.423 ? 268 A 1 c
ATOM 3672 H HB2  . MET Axp A    234 ? 135.774 139.601 161.679 1   188.103 ? 268 A 1 c
ATOM 3673 H HG3  . MET Axp A    234 ? 133.021 140.152 161.371 1   176.079 ? 268 A 1 c
ATOM 3674 H HG2  . MET Axp A    234 ? 134.048 140.961 160.499 1   175.958 ? 268 A 1 c
ATOM 3675 H HE3  . MET Axp A    234 ? 135.196 143.195 161.272 1   148.825 ? 268 A 1 c
ATOM 3676 H HE2  . MET Axp A    234 ? 136.249 142.263 162.02  1   148.825 ? 268 A 1 c
ATOM 3677 H HE1  . MET Axp A    234 ? 135.582 143.489 162.789 1   148.825 ? 268 A 1 c
ATOM 3678 N N    . GLY Axp A    235 ? 135.266 135.983 163.065 1   166.966 ? 269 A 1 .
ATOM 3679 C CA   . GLY Axp A    235 ? 135.967 134.712 163.049 1   138.685 ? 269 A 1 .
ATOM 3680 C C    . GLY Axp A    235 ? 135.339 133.765 162.036 1   147.176 ? 269 A 1 .
ATOM 3681 O O    . GLY Axp A    235 ? 136.044 132.92  161.493 1   164.906 ? 269 A 1 .
ATOM 3682 H H    . GLY Axp A    235 ? 134.802 136.201 163.821 1   164.46  ? 269 A 1 c
ATOM 3683 H HA3  . GLY Axp A    235 ? 135.931 134.309 163.948 1   146.895 ? 269 A 1 c
ATOM 3684 H HA2  . GLY Axp A    235 ? 136.914 134.866 162.819 1   146.895 ? 269 A 1 c
ATOM 3685 N N    . ARG Axp A    236 ? 134.026 133.933 161.788 1   149.771 ? 270 A 1 .
ATOM 3686 C CA   . ARG Axp A    236 ? 133.301 133.181 160.771 1   155.535 ? 270 A 1 .
ATOM 3687 C C    . ARG Axp A    236 ? 132.102 133.976 160.252 1   142.184 ? 270 A 1 .
ATOM 3688 O O    . ARG Axp A    236 ? 132.088 135.203 160.308 1   120.898 ? 270 A 1 .
ATOM 3689 C CB   . ARG Axp A    236 ? 132.826 131.845 161.352 1   154.367 ? 270 A 1 .
ATOM 3690 C CG   . ARG Axp A    236 ? 133.862 130.734 161.384 1   150.835 ? 270 A 1 .
ATOM 3691 C CD   . ARG Axp A    236 ? 133.164 129.429 161.71  1   144.103 ? 270 A 1 .
ATOM 3692 N NE   . ARG Axp A    236 ? 134.066 128.284 161.841 1   146.072 ? 270 A 1 .
ATOM 3693 C CZ   . ARG Axp A    236 ? 133.678 127.093 162.274 1   139.26  ? 270 A 1 .
ATOM 3694 N NH1  . ARG Axp A    236 ? 132.406 126.888 162.575 1   130.602 ? 270 A 1 .
ATOM 3695 N NH2  . ARG Axp A    236 ? 134.564 126.121 162.405 1   142.272 ? 270 A 1 .
ATOM 3696 H H    . ARG Axp A    236 ? 133.559 134.536 162.29  1   150.565 ? 270 A 1 c
ATOM 3697 H HA   . ARG Axp A    236 ? 133.914 133.004 160.013 1   151.716 ? 270 A 1 c
ATOM 3698 H HB3  . ARG Axp A    236 ? 132.054 131.528 160.841 1   153.906 ? 270 A 1 c
ATOM 3699 H HB2  . ARG Axp A    236 ? 132.524 132.01  162.267 1   153.864 ? 270 A 1 c
ATOM 3700 H HG3  . ARG Axp A    236 ? 134.535 130.925 162.073 1   150.122 ? 270 A 1 c
ATOM 3701 H HG2  . ARG Axp A    236 ? 134.304 130.662 160.51  1   150.07  ? 270 A 1 c
ATOM 3702 H HD3  . ARG Axp A    236 ? 132.505 129.238 161.011 1   146.146 ? 270 A 1 c
ATOM 3703 H HD2  . ARG Axp A    236 ? 132.684 129.544 162.547 1   146.218 ? 270 A 1 c
ATOM 3704 H HE   . ARG Axp A    236 ? 134.903 128.39  161.624 1   143.989 ? 270 A 1 c
ATOM 3705 H HH11 . ARG Axp A    236 ? 132.059 127.267 163.295 1   133.264 ? 270 A 1 c
ATOM 3706 H HH12 . ARG Axp A    236 ? 131.91  126.374 162.055 1   133.221 ? 270 A 1 c
ATOM 3707 H HH21 . ARG Axp A    236 ? 135.2   126.022 161.799 1   141.359 ? 270 A 1 c
ATOM 3708 H HH22 . ARG Axp A    236 ? 134.517 125.574 163.098 1   141.343 ? 270 A 1 c
ATOM 3709 N N    . GLU Axp A    237 ? 131.134 133.244 159.682 1   158.949 ? 271 A 1 .
ATOM 3710 C CA   . GLU Axp A    237 ? 129.844 133.791 159.296 1   174.862 ? 271 A 1 .
ATOM 3711 C C    . GLU Axp A    237 ? 128.745 132.815 159.737 1   193.533 ? 271 A 1 .
ATOM 3712 O O    . GLU Axp A    237 ? 127.731 133.246 160.278 1   196.779 ? 271 A 1 .
ATOM 3713 C CB   . GLU Axp A    237 ? 129.9   134.124 157.8   1   153.632 ? 271 A 1 .
ATOM 3714 C CG   . GLU Axp A    237 ? 129.215 135.432 157.396 1   135.997 ? 271 A 1 .
ATOM 3715 C CD   . GLU Axp A    237 ? 127.708 135.364 157.197 1   136.088 ? 271 A 1 .
ATOM 3716 O OE1  . GLU Axp A    237 ? 126.967 135.148 158.171 1   144.276 ? 271 A 1 .
ATOM 3717 O OE2  . GLU Axp A    237 ? 127.266 135.518 156.045 1   135.104 ? 271 A 1 .
ATOM 3718 H H    . GLU Axp A    237 ? 131.312 132.374 159.471 1   158.833 ? 271 A 1 c
ATOM 3719 H HA   . GLU Axp A    237 ? 129.71  134.639 159.791 1   169.657 ? 271 A 1 c
ATOM 3720 H HB3  . GLU Axp A    237 ? 129.483 133.391 157.301 1   154.064 ? 271 A 1 c
ATOM 3721 H HB2  . GLU Axp A    237 ? 130.839 134.173 157.524 1   153.928 ? 271 A 1 c
ATOM 3722 H HG3  . GLU Axp A    237 ? 129.618 135.75  156.56  1   139.841 ? 271 A 1 c
ATOM 3723 H HG2  . GLU Axp A    237 ? 129.402 136.109 158.08  1   140.019 ? 271 A 1 c
ATOM 3724 N N    . GLU Axp A    238 ? 128.961 131.505 159.524 1   198.514 ? 272 A 1 .
ATOM 3725 C CA   . GLU Axp A    238 ? 128.093 130.464 160.063 1   181.073 ? 272 A 1 .
ATOM 3726 C C    . GLU Axp A    238 ? 128.137 130.456 161.589 1   184.394 ? 272 A 1 .
ATOM 3727 O O    . GLU Axp A    238 ? 127.152 130.111 162.244 1   170.345 ? 272 A 1 .
ATOM 3728 C CB   . GLU Axp A    238 ? 128.46  129.071 159.544 1   162.962 ? 272 A 1 .
ATOM 3729 C CG   . GLU Axp A    238 ? 127.865 128.771 158.172 1   151.683 ? 272 A 1 .
ATOM 3730 C CD   . GLU Axp A    238 ? 126.35  128.879 158.148 1   142.083 ? 272 A 1 .
ATOM 3731 O OE1  . GLU Axp A    238 ? 125.706 128.162 158.929 1   140.339 ? 272 A 1 .
ATOM 3732 O OE2  . GLU Axp A    238 ? 125.8   129.678 157.369 1   138.819 ? 272 A 1 .
ATOM 3733 H H    . GLU Axp A    238 ? 129.667 131.252 159.002 1   192.053 ? 272 A 1 c
ATOM 3734 H HA   . GLU Axp A    238 ? 127.166 130.668 159.785 1   180.955 ? 272 A 1 c
ATOM 3735 H HB3  . GLU Axp A    238 ? 128.14  128.399 160.182 1   164.347 ? 272 A 1 c
ATOM 3736 H HB2  . GLU Axp A    238 ? 129.436 128.996 159.496 1   164.408 ? 272 A 1 c
ATOM 3737 H HG3  . GLU Axp A    238 ? 128.12  127.864 157.9   1   151.86  ? 272 A 1 c
ATOM 3738 H HG2  . GLU Axp A    238 ? 128.236 129.398 157.515 1   151.793 ? 272 A 1 c
ATOM 3739 N N    . GLU Axp A    239 ? 129.292 130.834 162.146 1   186.358 ? 273 A 1 .
ATOM 3740 C CA   . GLU Axp A    239 ? 129.464 130.885 163.587 1   174.272 ? 273 A 1 .
ATOM 3741 C C    . GLU Axp A    239 ? 129     132.247 164.094 1   165.956 ? 273 A 1 .
ATOM 3742 O O    . GLU Axp A    239 ? 129.732 132.916 164.813 1   192.451 ? 273 A 1 .
ATOM 3743 C CB   . GLU Axp A    239 ? 130.925 130.615 163.956 1   157.515 ? 273 A 1 .
ATOM 3744 C CG   . GLU Axp A    239 ? 131.186 130.443 165.451 1   145.511 ? 273 A 1 .
ATOM 3745 C CD   . GLU Axp A    239 ? 132.586 130.874 165.833 1   130.594 ? 273 A 1 .
ATOM 3746 O OE1  . GLU Axp A    239 ? 133.527 130.316 165.234 1   120.336 ? 273 A 1 .
ATOM 3747 O OE2  . GLU Axp A    239 ? 132.731 131.778 166.685 1   121.608 ? 273 A 1 .
ATOM 3748 H H    . GLU Axp A    239 ? 129.999 131.056 161.611 1   182.797 ? 273 A 1 c
ATOM 3749 H HA   . GLU Axp A    239 ? 128.899 130.183 163.998 1   171.689 ? 273 A 1 c
ATOM 3750 H HB3  . GLU Axp A    239 ? 131.475 131.349 163.623 1   158.181 ? 273 A 1 c
ATOM 3751 H HB2  . GLU Axp A    239 ? 131.207 129.797 163.505 1   158.082 ? 273 A 1 c
ATOM 3752 H HG3  . GLU Axp A    239 ? 131.069 129.5   165.693 1   144.537 ? 273 A 1 c
ATOM 3753 H HG2  . GLU Axp A    239 ? 130.539 130.971 165.964 1   144.7   ? 273 A 1 c
ATOM 3754 N N    . LYS Axp A    240 ? 127.77  132.625 163.733 1   143.489 ? 274 A 1 .
ATOM 3755 C CA   . LYS Axp A    240 ? 127.189 133.892 164.143 1   134.217 ? 274 A 1 .
ATOM 3756 C C    . LYS Axp A    240 ? 125.868 134.111 163.41  1   152.531 ? 274 A 1 .
ATOM 3757 O O    . LYS Axp A    240 ? 125.022 134.849 163.905 1   172.977 ? 274 A 1 .
ATOM 3758 C CB   . LYS Axp A    240 ? 128.087 135.11  163.89  1   125.953 ? 274 A 1 .
ATOM 3759 C CG   . LYS Axp A    240 ? 128.162 135.599 162.445 1   125.078 ? 274 A 1 .
ATOM 3760 C CD   . LYS Axp A    240 ? 128.619 137.048 162.32  1   125.378 ? 274 A 1 .
ATOM 3761 C CE   . LYS Axp A    240 ? 127.968 137.787 161.199 1   118.785 ? 274 A 1 .
ATOM 3762 N NZ   . LYS Axp A    240 ? 128.235 139.216 161.339 1   123.898 ? 274 A 1 .
ATOM 3763 H H    . LYS Axp A    240 ? 127.254 132.042 163.256 1   147.358 ? 274 A 1 c
ATOM 3764 H HA   . LYS Axp A    240 ? 127.009 133.843 165.107 1   137.807 ? 274 A 1 c
ATOM 3765 H HB3  . LYS Axp A    240 ? 128.996 134.906 164.192 1   128.146 ? 274 A 1 c
ATOM 3766 H HB2  . LYS Axp A    240 ? 127.755 135.849 164.444 1   127.656 ? 274 A 1 c
ATOM 3767 H HG3  . LYS Axp A    240 ? 127.279 135.507 162.03  1   125.765 ? 274 A 1 c
ATOM 3768 H HG2  . LYS Axp A    240 ? 128.788 135.023 161.953 1   125.96  ? 274 A 1 c
ATOM 3769 H HD3  . LYS Axp A    240 ? 129.591 137.062 162.187 1   123.798 ? 274 A 1 c
ATOM 3770 H HD2  . LYS Axp A    240 ? 128.427 137.516 163.161 1   124.011 ? 274 A 1 c
ATOM 3771 H HE3  . LYS Axp A    240 ? 127.005 137.638 161.212 1   121.491 ? 274 A 1 c
ATOM 3772 H HE2  . LYS Axp A    240 ? 128.319 137.475 160.345 1   121.468 ? 274 A 1 c
ATOM 3773 H HZ1  . LYS Axp A    240 ? 129.128 139.359 161.393 1   122.322 ? 274 A 1 c
ATOM 3774 H HZ2  . LYS Axp A    240 ? 127.837 139.532 162.089 1   122.318 ? 274 A 1 c
ATOM 3775 H HZ3  . LYS Axp A    240 ? 127.907 139.66  160.62  1   122.309 ? 274 A 1 c
ATOM 3776 N N    . LYS Axp A    241 ? 125.737 133.521 162.207 1   171.025 ? 275 A 1 .
ATOM 3777 C CA   . LYS Axp A    241 ? 124.535 133.605 161.384 1   173.419 ? 275 A 1 .
ATOM 3778 C C    . LYS Axp A    241 ? 123.331 133.15  162.209 1   177.913 ? 275 A 1 .
ATOM 3779 O O    . LYS Axp A    241 ? 122.192 133.519 161.92  1   154.841 ? 275 A 1 .
ATOM 3780 C CB   . LYS Axp A    241 ? 124.679 132.717 160.137 1   158.183 ? 275 A 1 .
ATOM 3781 C CG   . LYS Axp A    241 ? 124.467 133.379 158.787 1   146.409 ? 275 A 1 .
ATOM 3782 C CD   . LYS Axp A    241 ? 123.086 133.939 158.491 1   143.007 ? 275 A 1 .
ATOM 3783 C CE   . LYS Axp A    241 ? 123.091 134.326 157.03  1   130.713 ? 275 A 1 .
ATOM 3784 N NZ   . LYS Axp A    241 ? 121.957 135.152 156.617 1   137.859 ? 275 A 1 .
ATOM 3785 H H    . LYS Axp A    241 ? 126.453 133.065 161.869 1   166.158 ? 275 A 1 c
ATOM 3786 H HA   . LYS Axp A    241 ? 124.404 134.548 161.109 1   170.905 ? 275 A 1 c
ATOM 3787 H HB3  . LYS Axp A    241 ? 124.034 131.981 160.213 1   158.861 ? 275 A 1 c
ATOM 3788 H HB2  . LYS Axp A    241 ? 125.572 132.317 160.14  1   159.163 ? 275 A 1 c
ATOM 3789 H HG3  . LYS Axp A    241 ? 124.69  132.722 158.092 1   148.109 ? 275 A 1 c
ATOM 3790 H HG2  . LYS Axp A    241 ? 125.114 134.109 158.709 1   148.101 ? 275 A 1 c
ATOM 3791 H HD3  . LYS Axp A    241 ? 122.911 134.73  159.046 1   140.816 ? 275 A 1 c
ATOM 3792 H HD2  . LYS Axp A    241 ? 122.397 133.258 158.654 1   140.843 ? 275 A 1 c
ATOM 3793 H HE3  . LYS Axp A    241 ? 123.094 133.515 156.49  1   135.136 ? 275 A 1 c
ATOM 3794 H HE2  . LYS Axp A    241 ? 123.911 134.814 156.832 1   135.25  ? 275 A 1 c
ATOM 3795 H HZ1  . LYS Axp A    241 ? 121.826 135.816 157.219 1   135.694 ? 275 A 1 c
ATOM 3796 H HZ2  . LYS Axp A    241 ? 121.209 134.643 156.569 1   135.637 ? 275 A 1 c
ATOM 3797 H HZ3  . LYS Axp A    241 ? 122.123 135.516 155.804 1   135.637 ? 275 A 1 c
ATOM 3798 N N    . LYS Axp A    242 ? 123.623 132.319 163.223 1   185.127 ? 276 A 1 .
ATOM 3799 C CA   . LYS Axp A    242 ? 122.646 131.815 164.176 1   181.383 ? 276 A 1 .
ATOM 3800 C C    . LYS Axp A    242 ? 123.354 131.405 165.476 1   167.06  ? 276 A 1 .
ATOM 3801 O O    . LYS Axp A    242 ? 122.703 131.247 166.51  1   166.554 ? 276 A 1 .
ATOM 3802 C CB   . LYS Axp A    242 ? 121.95  130.641 163.471 1   174.056 ? 276 A 1 .
ATOM 3803 C CG   . LYS Axp A    242 ? 120.455 130.514 163.684 1   162.779 ? 276 A 1 .
ATOM 3804 C CD   . LYS Axp A    242 ? 120.034 130.232 165.119 1   167.018 ? 276 A 1 .
ATOM 3805 C CE   . LYS Axp A    242 ? 118.549 130.011 165.191 1   171.44  ? 276 A 1 .
ATOM 3806 N NZ   . LYS Axp A    242 ? 118.014 130.136 166.55  1   174.94  ? 276 A 1 .
ATOM 3807 H H    . LYS Axp A    242 ? 124.478 132.004 163.278 1   181.251 ? 276 A 1 c
ATOM 3808 H HA   . LYS Axp A    242 ? 121.99  132.531 164.372 1   177.959 ? 276 A 1 c
ATOM 3809 H HB3  . LYS Axp A    242 ? 122.371 129.808 163.774 1   172.975 ? 276 A 1 c
ATOM 3810 H HB2  . LYS Axp A    242 ? 122.114 130.715 162.507 1   173.082 ? 276 A 1 c
ATOM 3811 H HG3  . LYS Axp A    242 ? 120.121 129.792 163.108 1   166.28  ? 276 A 1 c
ATOM 3812 H HG2  . LYS Axp A    242 ? 120.029 131.348 163.387 1   166.305 ? 276 A 1 c
ATOM 3813 H HD3  . LYS Axp A    242 ? 120.276 130.994 165.688 1   167.051 ? 276 A 1 c
ATOM 3814 H HD2  . LYS Axp A    242 ? 120.499 129.431 165.448 1   167.053 ? 276 A 1 c
ATOM 3815 H HE3  . LYS Axp A    242 ? 118.342 129.121 164.854 1   171.225 ? 276 A 1 c
ATOM 3816 H HE2  . LYS Axp A    242 ? 118.1   130.659 164.619 1   171.161 ? 276 A 1 c
ATOM 3817 H HZ1  . LYS Axp A    242 ? 118.181 130.967 166.869 1   173.855 ? 276 A 1 c
ATOM 3818 H HZ2  . LYS Axp A    242 ? 118.406 129.524 167.091 1   173.855 ? 276 A 1 c
ATOM 3819 H HZ3  . LYS Axp A    242 ? 117.119 129.995 166.54  1   173.855 ? 276 A 1 c
ATOM 3820 N N    . ARG Axp A    243 ? 124.687 131.208 165.401 1   139.918 ? 277 A 1 .
ATOM 3821 C CA   . ARG Axp A    243 ? 125.485 130.722 166.513 1   140.809 ? 277 A 1 .
ATOM 3822 C C    . ARG Axp A    243 ? 125.594 131.794 167.59  1   152.354 ? 277 A 1 .
ATOM 3823 O O    . ARG Axp A    243 ? 125.497 131.468 168.768 1   156.542 ? 277 A 1 .
ATOM 3824 C CB   . ARG Axp A    243 ? 126.898 130.306 166.089 1   135.74  ? 277 A 1 .
ATOM 3825 C CG   . ARG Axp A    243 ? 127.705 129.586 167.165 1   147.33  ? 277 A 1 .
ATOM 3826 C CD   . ARG Axp A    243 ? 127.212 128.173 167.441 1   158.12  ? 277 A 1 .
ATOM 3827 N NE   . ARG Axp A    243 ? 127.89  127.536 168.578 1   172.398 ? 277 A 1 .
ATOM 3828 C CZ   . ARG Axp A    243 ? 127.698 127.814 169.867 1   175.351 ? 277 A 1 .
ATOM 3829 N NH1  . ARG Axp A    243 ? 126.866 128.772 170.23  1   175.647 ? 277 A 1 .
ATOM 3830 N NH2  . ARG Axp A    243 ? 128.339 127.124 170.796 1   170.587 ? 277 A 1 .
ATOM 3831 H H    . ARG Axp A    243 ? 125.117 131.38  164.615 1   146.924 ? 277 A 1 c
ATOM 3832 H HA   . ARG Axp A    243 ? 125.025 129.935 166.9   1   142.226 ? 277 A 1 c
ATOM 3833 H HB3  . ARG Axp A    243 ? 127.388 131.109 165.82  1   139.681 ? 277 A 1 c
ATOM 3834 H HB2  . ARG Axp A    243 ? 126.831 129.722 165.304 1   139.501 ? 277 A 1 c
ATOM 3835 H HG3  . ARG Axp A    243 ? 127.668 130.103 167.999 1   147.175 ? 277 A 1 c
ATOM 3836 H HG2  . ARG Axp A    243 ? 128.645 129.544 166.885 1   147.005 ? 277 A 1 c
ATOM 3837 H HD3  . ARG Axp A    243 ? 127.352 127.628 166.639 1   158.801 ? 277 A 1 c
ATOM 3838 H HD2  . ARG Axp A    243 ? 126.25  128.198 167.618 1   158.7   ? 277 A 1 c
ATOM 3839 H HE   . ARG Axp A    243 ? 128.474 126.917 168.395 1   169.665 ? 277 A 1 c
ATOM 3840 H HH11 . ARG Axp A    243 ? 126.009 128.709 170.023 1   174.737 ? 277 A 1 c
ATOM 3841 H HH12 . ARG Axp A    243 ? 127.169 129.47  170.679 1   175.363 ? 277 A 1 c
ATOM 3842 H HH21 . ARG Axp A    243 ? 129.195 126.933 170.689 1   172.039 ? 277 A 1 c
ATOM 3843 H HH22 . ARG Axp A    243 ? 127.907 126.857 171.52  1   172.039 ? 277 A 1 c
ATOM 3844 N N    . LEU Axp A    244 ? 125.763 133.061 167.18  1   154.315 ? 278 A 1 .
ATOM 3845 C CA   . LEU Axp A    244 ? 125.904 134.168 168.119 1   138.227 ? 278 A 1 .
ATOM 3846 C C    . LEU Axp A    244 ? 124.557 134.878 168.259 1   112.696 ? 278 A 1 .
ATOM 3847 O O    . LEU Axp A    244 ? 124.426 136.082 168.053 1   74.317  ? 278 A 1 .
ATOM 3848 C CB   . LEU Axp A    244 ? 127.045 135.096 167.705 1   142.113 ? 278 A 1 .
ATOM 3849 C CG   . LEU Axp A    244 ? 128.439 134.68  168.195 1   134.785 ? 278 A 1 .
ATOM 3850 C CD1  . LEU Axp A    244 ? 128.79  133.259 167.794 1   131.072 ? 278 A 1 .
ATOM 3851 C CD2  . LEU Axp A    244 ? 129.492 135.658 167.699 1   140.562 ? 278 A 1 .
ATOM 3852 H H    . LEU Axp A    244 ? 125.758 133.243 166.286 1   149.624 ? 278 A 1 c
ATOM 3853 H HA   . LEU Axp A    244 ? 126.126 133.783 169.002 1   136.654 ? 278 A 1 c
ATOM 3854 H HB3  . LEU Axp A    244 ? 126.854 135.997 168.052 1   138.787 ? 278 A 1 c
ATOM 3855 H HB2  . LEU Axp A    244 ? 127.062 135.151 166.723 1   139.417 ? 278 A 1 c
ATOM 3856 H HG   . LEU Axp A    244 ? 128.436 134.719 169.187 1   136.46  ? 278 A 1 c
ATOM 3857 H HD11 . LEU Axp A    244 ? 128.462 132.641 168.468 1   132.141 ? 278 A 1 c
ATOM 3858 H HD12 . LEU Axp A    244 ? 129.756 133.171 167.719 1   132.328 ? 278 A 1 c
ATOM 3859 H HD13 . LEU Axp A    244 ? 128.379 133.051 166.939 1   132.621 ? 278 A 1 c
ATOM 3860 H HD21 . LEU Axp A    244 ? 129.224 136.565 167.923 1   138.82  ? 278 A 1 c
ATOM 3861 H HD22 . LEU Axp A    244 ? 129.582 135.576 166.734 1   138.82  ? 278 A 1 c
ATOM 3862 H HD23 . LEU Axp A    244 ? 130.345 135.459 168.121 1   138.786 ? 278 A 1 c
ATOM 3863 N N    . GLN Axp A    245 ? 123.548 134.035 168.472 1   129.591 ? 279 A 1 .
ATOM 3864 C CA   . GLN Axp A    245 ? 122.219 134.379 168.937 1   145.627 ? 279 A 1 .
ATOM 3865 C C    . GLN Axp A    245 ? 121.933 133.454 170.114 1   142.996 ? 279 A 1 .
ATOM 3866 O O    . GLN Axp A    245 ? 120.934 133.599 170.819 1   152.444 ? 279 A 1 .
ATOM 3867 C CB   . GLN Axp A    245 ? 121.274 134.157 167.754 1   157.201 ? 279 A 1 .
ATOM 3868 C CG   . GLN Axp A    245 ? 119.797 134.439 168.023 1   150.083 ? 279 A 1 .
ATOM 3869 C CD   . GLN Axp A    245 ? 118.932 134.225 166.8   1   147.508 ? 279 A 1 .
ATOM 3870 O OE1  . GLN Axp A    245 ? 119.436 133.985 165.696 1   158.647 ? 279 A 1 .
ATOM 3871 N NE2  . GLN Axp A    245 ? 117.622 134.328 166.978 1   146.164 ? 279 A 1 .
ATOM 3872 H H    . GLN Axp A    245 ? 123.691 133.164 168.244 1   129.285 ? 279 A 1 c
ATOM 3873 H HA   . GLN Axp A    245 ? 122.207 135.324 169.236 1   143.024 ? 279 A 1 c
ATOM 3874 H HB3  . GLN Axp A    245 ? 121.364 133.227 167.462 1   152.937 ? 279 A 1 c
ATOM 3875 H HB2  . GLN Axp A    245 ? 121.572 134.726 167.015 1   152.903 ? 279 A 1 c
ATOM 3876 H HG3  . GLN Axp A    245 ? 119.694 135.366 168.327 1   151.054 ? 279 A 1 c
ATOM 3877 H HG2  . GLN Axp A    245 ? 119.478 133.851 168.739 1   151.027 ? 279 A 1 c
ATOM 3878 H HE21 . GLN Axp A    245 ? 117.07  133.835 166.489 1   146.582 ? 279 A 1 c
ATOM 3879 H HE22 . GLN Axp A    245 ? 117.3   134.889 167.585 1   146.6   ? 279 A 1 c
ATOM 3880 N N    . ALA Axp A    246 ? 122.808 132.446 170.228 1   131.536 ? 280 A 1 .
ATOM 3881 C CA   . ALA Axp A    246 ? 122.972 131.624 171.406 1   115.438 ? 280 A 1 .
ATOM 3882 C C    . ALA Axp A    246 ? 123.974 132.319 172.323 1   108.48  ? 280 A 1 .
ATOM 3883 O O    . ALA Axp A    246 ? 124.179 131.919 173.461 1   108.085 ? 280 A 1 .
ATOM 3884 C CB   . ALA Axp A    246 ? 123.427 130.243 170.971 1   102.668 ? 280 A 1 .
ATOM 3885 H H    . ALA Axp A    246 ? 123.314 132.232 169.5   1   129.708 ? 280 A 1 c
ATOM 3886 H HA   . ALA Axp A    246 ? 122.096 131.557 171.878 1   114.932 ? 280 A 1 c
ATOM 3887 H HB3  . ALA Axp A    246 ? 123.204 129.594 171.66  1   106.504 ? 280 A 1 c
ATOM 3888 H HB2  . ALA Axp A    246 ? 124.388 130.244 170.831 1   106.971 ? 280 A 1 c
ATOM 3889 H HB1  . ALA Axp A    246 ? 122.982 129.997 170.143 1   106.725 ? 280 A 1 c
ATOM 3890 N N    . PHE Axp A    247 ? 124.594 133.373 171.792 1   107.29  ? 281 A 1 .
ATOM 3891 C CA   . PHE Axp A    247 ? 125.423 134.273 172.568 1   120.813 ? 281 A 1 .
ATOM 3892 C C    . PHE Axp A    247 ? 124.622 135.495 173.013 1   140.36  ? 281 A 1 .
ATOM 3893 O O    . PHE Axp A    247 ? 125.101 136.322 173.784 1   130.114 ? 281 A 1 .
ATOM 3894 C CB   . PHE Axp A    247 ? 126.563 134.665 171.629 1   121.902 ? 281 A 1 .
ATOM 3895 C CG   . PHE Axp A    247 ? 127.793 135.235 172.314 1   110.916 ? 281 A 1 .
ATOM 3896 C CD1  . PHE Axp A    247 ? 127.703 136.303 173.202 1   102.16  ? 281 A 1 .
ATOM 3897 C CD2  . PHE Axp A    247 ? 129.038 134.656 172.091 1   105.45  ? 281 A 1 .
ATOM 3898 C CE1  . PHE Axp A    247 ? 128.838 136.801 173.815 1   109.992 ? 281 A 1 .
ATOM 3899 C CE2  . PHE Axp A    247 ? 130.168 135.158 172.707 1   97.315  ? 281 A 1 .
ATOM 3900 C CZ   . PHE Axp A    247 ? 130.067 136.227 173.566 1   99.167  ? 281 A 1 .
ATOM 3901 H H    . PHE Axp A    247 ? 124.52  133.525 170.894 1   111.479 ? 281 A 1 c
ATOM 3902 H HA   . PHE Axp A    247 ? 125.789 133.799 173.361 1   121.357 ? 281 A 1 c
ATOM 3903 H HB3  . PHE Axp A    247 ? 126.223 135.328 170.987 1   119.126 ? 281 A 1 c
ATOM 3904 H HB2  . PHE Axp A    247 ? 126.83  133.868 171.118 1   118.88  ? 281 A 1 c
ATOM 3905 H HD1  . PHE Axp A    247 ? 126.873 136.713 173.358 1   106.113 ? 281 A 1 c
ATOM 3906 H HD2  . PHE Axp A    247 ? 129.113 133.925 171.499 1   104.843 ? 281 A 1 c
ATOM 3907 H HE1  . PHE Axp A    247 ? 128.771 137.537 174.402 1   105.504 ? 281 A 1 c
ATOM 3908 H HE2  . PHE Axp A    247 ? 131.005 134.76  172.543 1   99.286  ? 281 A 1 c
ATOM 3909 H HZ   . PHE Axp A    247 ? 130.831 136.563 173.991 1   99.578  ? 281 A 1 c
ATOM 3910 N N    . GLN Axp A    248 ? 123.401 135.63  172.493 1   146.474 ? 282 A 1 .
ATOM 3911 C CA   . GLN Axp A    248 ? 122.582 136.794 172.801 1   129.096 ? 282 A 1 .
ATOM 3912 C C    . GLN Axp A    248 ? 122.272 136.835 174.302 1   108.054 ? 282 A 1 .
ATOM 3913 O O    . GLN Axp A    248 ? 122.428 135.848 175.013 1   80.204  ? 282 A 1 .
ATOM 3914 C CB   . GLN Axp A    248 ? 121.333 136.702 171.926 1   130.235 ? 282 A 1 .
ATOM 3915 C CG   . GLN Axp A    248 ? 120.24  137.711 172.259 1   135.51  ? 282 A 1 .
ATOM 3916 C CD   . GLN Axp A    248 ? 118.857 137.192 171.936 1   135.035 ? 282 A 1 .
ATOM 3917 O OE1  . GLN Axp A    248 ? 118.425 136.161 172.47  1   125.34  ? 282 A 1 .
ATOM 3918 N NE2  . GLN Axp A    248 ? 118.154 137.898 171.058 1   131.163 ? 282 A 1 .
ATOM 3919 H H    . GLN Axp A    248 ? 123.067 134.99  171.934 1   139.869 ? 282 A 1 c
ATOM 3920 H HA   . GLN Axp A    248 ? 123.09  137.609 172.557 1   128.12  ? 282 A 1 c
ATOM 3921 H HB3  . GLN Axp A    248 ? 120.963 135.8   172.012 1   131.419 ? 282 A 1 c
ATOM 3922 H HB2  . GLN Axp A    248 ? 121.599 136.823 170.991 1   131.278 ? 282 A 1 c
ATOM 3923 H HG3  . GLN Axp A    248 ? 120.398 138.539 171.757 1   134.006 ? 282 A 1 c
ATOM 3924 H HG2  . GLN Axp A    248 ? 120.268 137.928 173.21  1   133.389 ? 282 A 1 c
ATOM 3925 H HE21 . GLN Axp A    248 ? 117.307 138.1   171.23  1   132.345 ? 282 A 1 c
ATOM 3926 H HE22 . GLN Axp A    248 ? 118.532 138.166 170.302 1   132.355 ? 282 A 1 c
ATOM 3927 N N    . GLY Axp A    249 ? 121.836 137.996 174.789 1   100.158 ? 283 A 1 .
ATOM 3928 C CA   . GLY Axp A    249 ? 121.428 138.132 176.174 1   91.902  ? 283 A 1 .
ATOM 3929 C C    . GLY Axp A    249 ? 122.543 138.749 177.018 1   91.384  ? 283 A 1 .
ATOM 3930 O O    . GLY Axp A    249 ? 122.536 138.661 178.244 1   89.145  ? 283 A 1 .
ATOM 3931 H H    . GLY Axp A    249 ? 121.809 138.731 174.247 1   100.795 ? 283 A 1 c
ATOM 3932 H HA3  . GLY Axp A    249 ? 121.19  137.247 176.537 1   93.672  ? 283 A 1 c
ATOM 3933 H HA2  . GLY Axp A    249 ? 120.627 138.705 176.219 1   93.689  ? 283 A 1 c
ATOM 3934 N N    . TYR Axp A    250 ? 123.5   139.405 176.349 1   94.408  ? 284 A 1 .
ATOM 3935 C CA   . TYR Axp A    250 ? 124.605 140.081 177.023 1   98.01   ? 284 A 1 .
ATOM 3936 C C    . TYR Axp A    250 ? 124.429 141.592 176.866 1   85.076  ? 284 A 1 .
ATOM 3937 O O    . TYR Axp A    250 ? 124.42  142.313 177.866 1   79.41   ? 284 A 1 .
ATOM 3938 C CB   . TYR Axp A    250 ? 125.965 139.588 176.485 1   106.388 ? 284 A 1 .
ATOM 3939 C CG   . TYR Axp A    250 ? 126.427 138.233 177.021 1   94.184  ? 284 A 1 .
ATOM 3940 C CD1  . TYR Axp A    250 ? 126.79  138.113 178.352 1   96.968  ? 284 A 1 .
ATOM 3941 C CD2  . TYR Axp A    250 ? 126.502 137.089 176.233 1   82.281  ? 284 A 1 .
ATOM 3942 C CE1  . TYR Axp A    250 ? 127.178 136.907 178.903 1   89.016  ? 284 A 1 .
ATOM 3943 C CE2  . TYR Axp A    250 ? 126.909 135.878 176.767 1   78.613  ? 284 A 1 .
ATOM 3944 C CZ   . TYR Axp A    250 ? 127.241 135.79  178.107 1   80.254  ? 284 A 1 .
ATOM 3945 O OH   . TYR Axp A    250 ? 127.637 134.65  178.728 1   82.522  ? 284 A 1 .
ATOM 3946 H H    . TYR Axp A    250 ? 123.474 139.422 175.437 1   94.26   ? 284 A 1 c
ATOM 3947 H HA   . TYR Axp A    250 ? 124.561 139.864 177.991 1   96.045  ? 284 A 1 c
ATOM 3948 H HB3  . TYR Axp A    250 ? 126.646 140.261 176.705 1   101.475 ? 284 A 1 c
ATOM 3949 H HB2  . TYR Axp A    250 ? 125.908 139.535 175.505 1   101.556 ? 284 A 1 c
ATOM 3950 H HD1  . TYR Axp A    250 ? 126.735 138.872 178.909 1   93.631  ? 284 A 1 c
ATOM 3951 H HD2  . TYR Axp A    250 ? 126.264 137.139 175.326 1   84.798  ? 284 A 1 c
ATOM 3952 H HE1  . TYR Axp A    250 ? 127.412 136.853 179.814 1   88.346  ? 284 A 1 c
ATOM 3953 H HE2  . TYR Axp A    250 ? 126.941 135.113 176.223 1   79.751  ? 284 A 1 c
ATOM 3954 H HH   . TYR Axp A    250 ? 127.805 134.761 179.574 0   83.12   ? 284 A 1 c
ATOM 3955 N N    . GLN Axp A    251 ? 124.248 141.999 175.595 1   76.334  ? 285 A 1 .
ATOM 3956 C CA   . GLN Axp A    251 ? 124.306 143.364 175.095 1   73.881  ? 285 A 1 .
ATOM 3957 C C    . GLN Axp A    251 ? 124.362 144.402 176.214 1   79.577  ? 285 A 1 .
ATOM 3958 O O    . GLN Axp A    251 ? 123.382 145.1   176.458 1   81.802  ? 285 A 1 .
ATOM 3959 C CB   . GLN Axp A    251 ? 123.097 143.577 174.183 1   68.35   ? 285 A 1 .
ATOM 3960 C CG   . GLN Axp A    251 ? 123.325 144.649 173.119 1   73.893  ? 285 A 1 .
ATOM 3961 C CD   . GLN Axp A    251 ? 122.483 145.9   173.255 1   70.728  ? 285 A 1 .
ATOM 3962 O OE1  . GLN Axp A    251 ? 121.407 146.029 172.663 1   69.57   ? 285 A 1 .
ATOM 3963 N NE2  . GLN Axp A    251 ? 123.012 146.886 173.959 1   74.982  ? 285 A 1 .
ATOM 3964 H H    . GLN Axp A    251 ? 124.085 141.346 174.978 1   77.993  ? 285 A 1 c
ATOM 3965 H HA   . GLN Axp A    251 ? 125.128 143.452 174.552 1   74.419  ? 285 A 1 c
ATOM 3966 H HB3  . GLN Axp A    251 ? 122.322 143.826 174.729 1   70.937  ? 285 A 1 c
ATOM 3967 H HB2  . GLN Axp A    251 ? 122.884 142.731 173.737 1   70.92   ? 285 A 1 c
ATOM 3968 H HG3  . GLN Axp A    251 ? 123.139 144.261 172.238 1   71.955  ? 285 A 1 c
ATOM 3969 H HG2  . GLN Axp A    251 ? 124.269 144.915 173.129 1   71.986  ? 285 A 1 c
ATOM 3970 H HE21 . GLN Axp A    251 ? 122.87  147.727 173.716 1   73.555  ? 285 A 1 c
ATOM 3971 H HE22 . GLN Axp A    251 ? 123.508 146.706 174.672 1   73.656  ? 285 A 1 c
ATOM 3972 N N    . VAL Axp A    252 ? 125.523 144.549 176.858 1   74.65   ? 286 A 1 .
ATOM 3973 C CA   . VAL Axp A    252 ? 125.652 145.463 177.984 1   70.271  ? 286 A 1 .
ATOM 3974 C C    . VAL Axp A    252 ? 125.003 146.82  177.699 1   63.736  ? 286 A 1 .
ATOM 3975 O O    . VAL Axp A    252 ? 125.452 147.544 176.82  1   61.095  ? 286 A 1 .
ATOM 3976 C CB   . VAL Axp A    252 ? 127.126 145.664 178.35  1   76.397  ? 286 A 1 .
ATOM 3977 C CG1  . VAL Axp A    252 ? 127.966 146.002 177.128 1   83.938  ? 286 A 1 .
ATOM 3978 C CG2  . VAL Axp A    252 ? 127.277 146.738 179.414 1   81.035  ? 286 A 1 .
ATOM 3979 H H    . VAL Axp A    252 ? 126.249 144.06  176.596 1   74.834  ? 286 A 1 c
ATOM 3980 H HA   . VAL Axp A    252 ? 125.2   145.06  178.75  1   70.804  ? 286 A 1 c
ATOM 3981 H HB   . VAL Axp A    252 ? 127.455 144.813 178.724 1   77.392  ? 286 A 1 c
ATOM 3982 H HG11 . VAL Axp A    252 ? 127.387 146.243 176.389 1   81.08   ? 286 A 1 c
ATOM 3983 H HG12 . VAL Axp A    252 ? 128.502 145.229 176.88  1   81.282  ? 286 A 1 c
ATOM 3984 H HG13 . VAL Axp A    252 ? 128.553 146.748 177.333 1   81.255  ? 286 A 1 c
ATOM 3985 H HG21 . VAL Axp A    252 ? 128.133 146.63  179.863 1   79.588  ? 286 A 1 c
ATOM 3986 H HG22 . VAL Axp A    252 ? 126.56  146.656 180.065 1   79.479  ? 286 A 1 c
ATOM 3987 H HG23 . VAL Axp A    252 ? 127.24  147.617 179.001 1   79.546  ? 286 A 1 c
ATOM 3988 N N    . ASN Axp A    253 ? 124.035 147.204 178.545 1   62.799  ? 287 A 1 .
ATOM 3989 C CA   . ASN Axp A    253 ? 123.4   148.515 178.498 1   60.558  ? 287 A 1 .
ATOM 3990 C C    . ASN Axp A    253 ? 123.135 149.01  179.929 1   58.026  ? 287 A 1 .
ATOM 3991 O O    . ASN Axp A    253 ? 123.447 148.3   180.892 1   46.897  ? 287 A 1 .
ATOM 3992 C CB   . ASN Axp A    253 ? 122.14  148.487 177.656 1   55.926  ? 287 A 1 .
ATOM 3993 C CG   . ASN Axp A    253 ? 121.055 147.785 178.409 1   69.714  ? 287 A 1 .
ATOM 3994 O OD1  . ASN Axp A    253 ? 120.008 148.392 178.689 1   101.586 ? 287 A 1 .
ATOM 3995 N ND2  . ASN Axp A    253 ? 121.311 146.53  178.763 1   76.92   ? 287 A 1 .
ATOM 3996 H H    . ASN Axp A    253 ? 123.773 146.621 179.198 1   62.781  ? 287 A 1 c
ATOM 3997 H HA   . ASN Axp A    253 ? 124.019 149.134 178.067 1   59.626  ? 287 A 1 c
ATOM 3998 H HB3  . ASN Axp A    253 ? 122.313 148.024 176.812 1   60.029  ? 287 A 1 c
ATOM 3999 H HB2  . ASN Axp A    253 ? 121.857 149.399 177.462 1   60.507  ? 287 A 1 c
ATOM 4000 H HD21 . ASN Axp A    253 ? 121.643 146.353 179.565 1   74.32   ? 287 A 1 c
ATOM 4001 H HD22 . ASN Axp A    253 ? 121.15  145.869 178.193 1   74.553  ? 287 A 1 c
ATOM 4002 N N    . SER Axp A    254 ? 122.565 150.233 180.08  1   59.63   ? 288 A 1 .
ATOM 4003 C CA   . SER Axp A    254 ? 122.461 150.848 181.398 1   51.658  ? 288 A 1 .
ATOM 4004 C C    . SER Axp A    254 ? 121.748 149.851 182.325 1   49.325  ? 288 A 1 .
ATOM 4005 O O    . SER Axp A    254 ? 122.076 149.761 183.503 1   46.144  ? 288 A 1 .
ATOM 4006 C CB   . SER Axp A    254 ? 121.91  152.331 181.362 1   41.037  ? 288 A 1 .
ATOM 4007 O OG   . SER Axp A    254 ? 122.937 153.335 181.492 1   26.633  ? 288 A 1 .
ATOM 4008 H H    . SER Axp A    254 ? 122.247 150.682 179.351 1   57.217  ? 288 A 1 c
ATOM 4009 H HA   . SER Axp A    254 ? 123.388 150.914 181.736 1   50.633  ? 288 A 1 c
ATOM 4010 H HB3  . SER Axp A    254 ? 121.263 152.444 182.084 1   38.881  ? 288 A 1 c
ATOM 4011 H HB2  . SER Axp A    254 ? 121.436 152.47  180.521 1   38.93   ? 288 A 1 c
ATOM 4012 H HG   . SER Axp A    254 ? 122.187 153.919 181.287 0   34.95   ? 288 A 1 c
ATOM 4013 N N    . LYS Axp A    255 ? 120.9   148.98  181.758 1   52.172  ? 289 A 1 .
ATOM 4014 C CA   . LYS Axp A    255 ? 120.289 147.874 182.505 1   55.683  ? 289 A 1 .
ATOM 4015 C C    . LYS Axp A    255 ? 121.363 147.172 183.318 1   50.767  ? 289 A 1 .
ATOM 4016 O O    . LYS Axp A    255 ? 121.07  146.706 184.411 1   47.347  ? 289 A 1 .
ATOM 4017 C CB   . LYS Axp A    255 ? 119.474 146.831 181.711 1   61.736  ? 289 A 1 .
ATOM 4018 C CG   . LYS Axp A    255 ? 118.142 147.401 181.15  1   80.189  ? 289 A 1 .
ATOM 4019 C CD   . LYS Axp A    255 ? 117.001 146.496 180.684 1   87.232  ? 289 A 1 .
ATOM 4020 C CE   . LYS Axp A    255 ? 117.25  145.736 179.419 1   89.952  ? 289 A 1 .
ATOM 4021 N NZ   . LYS Axp A    255 ? 118.227 144.67  179.665 1   97.006  ? 289 A 1 .
ATOM 4022 H H    . LYS Axp A    255 ? 120.663 149.094 180.883 1   52.399  ? 289 A 1 c
ATOM 4023 H HA   . LYS Axp A    255 ? 119.656 148.278 183.151 1   55.161  ? 289 A 1 c
ATOM 4024 H HB3  . LYS Axp A    255 ? 119.269 146.07  182.295 1   63.964  ? 289 A 1 c
ATOM 4025 H HB2  . LYS Axp A    255 ? 120.015 146.501 180.965 1   64.285  ? 289 A 1 c
ATOM 4026 H HG3  . LYS Axp A    255 ? 118.375 147.985 180.398 1   77.135  ? 289 A 1 c
ATOM 4027 H HG2  . LYS Axp A    255 ? 117.775 147.995 181.841 1   76.877  ? 289 A 1 c
ATOM 4028 H HD3  . LYS Axp A    255 ? 116.2   147.051 180.562 1   86.206  ? 289 A 1 c
ATOM 4029 H HD2  . LYS Axp A    255 ? 116.8   145.856 181.402 1   86.256  ? 289 A 1 c
ATOM 4030 H HE3  . LYS Axp A    255 ? 117.594 146.336 178.734 1   90.93   ? 289 A 1 c
ATOM 4031 H HE2  . LYS Axp A    255 ? 116.419 145.343 179.099 1   90.93   ? 289 A 1 c
ATOM 4032 H HZ1  . LYS Axp A    255 ? 118.182 144.384 180.523 1   94.596  ? 289 A 1 c
ATOM 4033 H HZ2  . LYS Axp A    255 ? 119.062 144.978 179.498 1   94.484  ? 289 A 1 c
ATOM 4034 H HZ3  . LYS Axp A    255 ? 118.056 143.972 179.114 1   94.687  ? 289 A 1 c
ATOM 4035 N N    . THR Axp A    256 ? 122.588 147.138 182.766 1   54.618  ? 290 A 1 .
ATOM 4036 C CA   . THR Axp A    256 ? 123.743 146.519 183.398 1   54.94   ? 290 A 1 .
ATOM 4037 C C    . THR Axp A    256 ? 124.322 147.497 184.399 1   59.645  ? 290 A 1 .
ATOM 4038 O O    . THR Axp A    256 ? 124.544 147.152 185.56  1   67.312  ? 290 A 1 .
ATOM 4039 C CB   . THR Axp A    256 ? 124.839 146.159 182.396 1   50.378  ? 290 A 1 .
ATOM 4040 O OG1  . THR Axp A    256 ? 124.254 145.5   181.281 1   52.847  ? 290 A 1 .
ATOM 4041 C CG2  . THR Axp A    256 ? 125.887 145.259 183.024 1   50.204  ? 290 A 1 .
ATOM 4042 H H    . THR Axp A    256 ? 122.698 147.489 181.932 1   53.647  ? 290 A 1 c
ATOM 4043 H HA   . THR Axp A    256 ? 123.454 145.706 183.867 1   54.748  ? 290 A 1 c
ATOM 4044 H HB   . THR Axp A    256 ? 125.288 146.98  182.083 1   51.689  ? 290 A 1 c
ATOM 4045 H HG1  . THR Axp A    256 ? 123.817 144.761 181.576 0   35.19   ? 290 A 1 c
ATOM 4046 H HG21 . THR Axp A    256 ? 126.494 144.938 182.336 1   50.292  ? 290 A 1 c
ATOM 4047 H HG22 . THR Axp A    256 ? 125.452 144.501 183.45  1   50.315  ? 290 A 1 c
ATOM 4048 H HG23 . THR Axp A    256 ? 126.389 145.758 183.69  1   50.389  ? 290 A 1 c
ATOM 4049 N N    . ALA Axp A    257 ? 124.598 148.699 183.887 1   56.379  ? 291 A 1 .
ATOM 4050 C CA   . ALA Axp A    257 ? 125.195 149.754 184.682 1   55.474  ? 291 A 1 .
ATOM 4051 C C    . ALA Axp A    257 ? 124.494 149.836 186.036 1   55.867  ? 291 A 1 .
ATOM 4052 O O    . ALA Axp A    257 ? 125.138 150.041 187.063 1   50.697  ? 291 A 1 .
ATOM 4053 C CB   . ALA Axp A    257 ? 125.09  151.051 183.92  1   58.193  ? 291 A 1 .
ATOM 4054 H H    . ALA Axp A    257 ? 124.407 148.867 183.009 1   56.792  ? 291 A 1 c
ATOM 4055 H HA   . ALA Axp A    257 ? 126.155 149.534 184.832 1   56.221  ? 291 A 1 c
ATOM 4056 H HB3  . ALA Axp A    257 ? 125.576 151.746 184.392 1   57.122  ? 291 A 1 c
ATOM 4057 H HB2  . ALA Axp A    257 ? 124.157 151.311 183.843 1   57.196  ? 291 A 1 c
ATOM 4058 H HB1  . ALA Axp A    257 ? 125.468 150.942 183.031 1   57.287  ? 291 A 1 c
ATOM 4059 N N    . LYS Axp A    258 ? 123.162 149.664 186.011 1   57.38   ? 292 A 1 .
ATOM 4060 C CA   . LYS Axp A    258 ? 122.328 149.737 187.2   1   55.255  ? 292 A 1 .
ATOM 4061 C C    . LYS Axp A    258 ? 122.853 148.783 188.263 1   56.695  ? 292 A 1 .
ATOM 4062 O O    . LYS Axp A    258 ? 123.142 149.203 189.38  1   58.555  ? 292 A 1 .
ATOM 4063 C CB   . LYS Axp A    258 ? 120.879 149.377 186.865 1   50.763  ? 292 A 1 .
ATOM 4064 C CG   . LYS Axp A    258 ? 120.198 150.368 185.939 1   47.377  ? 292 A 1 .
ATOM 4065 C CD   . LYS Axp A    258 ? 118.731 150.069 185.666 1   43.74   ? 292 A 1 .
ATOM 4066 C CE   . LYS Axp A    258 ? 118.206 150.997 184.628 1   40.748  ? 292 A 1 .
ATOM 4067 N NZ   . LYS Axp A    258 ? 116.751 150.972 184.649 1   40.357  ? 292 A 1 .
ATOM 4068 H H    . LYS Axp A    258 ? 122.756 149.508 185.208 1   56.363  ? 292 A 1 c
ATOM 4069 H HA   . LYS Axp A    258 ? 122.363 150.661 187.553 1   55.094  ? 292 A 1 c
ATOM 4070 H HB3  . LYS Axp A    258 ? 120.363 149.324 187.699 1   50.968  ? 292 A 1 c
ATOM 4071 H HB2  . LYS Axp A    258 ? 120.859 148.492 186.444 1   50.97   ? 292 A 1 c
ATOM 4072 H HG3  . LYS Axp A    258 ? 120.681 150.384 185.088 1   47.322  ? 292 A 1 c
ATOM 4073 H HG2  . LYS Axp A    258 ? 120.27  151.263 186.337 1   47.277  ? 292 A 1 c
ATOM 4074 H HD3  . LYS Axp A    258 ? 118.216 150.178 186.494 1   43.76   ? 292 A 1 c
ATOM 4075 H HD2  . LYS Axp A    258 ? 118.636 149.143 185.354 1   43.796  ? 292 A 1 c
ATOM 4076 H HE3  . LYS Axp A    258 ? 118.523 150.73  183.746 1   41.325  ? 292 A 1 c
ATOM 4077 H HE2  . LYS Axp A    258 ? 118.508 151.902 184.809 1   41.352  ? 292 A 1 c
ATOM 4078 H HZ1  . LYS Axp A    258 ? 116.447 150.977 185.502 1   40.522  ? 292 A 1 c
ATOM 4079 H HZ2  . LYS Axp A    258 ? 116.461 150.235 184.214 1   40.488  ? 292 A 1 c
ATOM 4080 H HZ3  . LYS Axp A    258 ? 116.434 151.707 184.224 1   40.488  ? 292 A 1 c
ATOM 4081 N N    . VAL Axp A    259 ? 123.009 147.516 187.874 1   57.268  ? 293 A 1 .
ATOM 4082 C CA   . VAL Axp A    259 ? 123.488 146.488 188.782 1   64.346  ? 293 A 1 .
ATOM 4083 C C    . VAL Axp A    259 ? 124.928 146.774 189.191 1   58.713  ? 293 A 1 .
ATOM 4084 O O    . VAL Axp A    259 ? 125.39  146.328 190.246 1   53.107  ? 293 A 1 .
ATOM 4085 C CB   . VAL Axp A    259 ? 123.407 145.087 188.163 1   78.668  ? 293 A 1 .
ATOM 4086 C CG1  . VAL Axp A    259 ? 123.377 144.036 189.267 1   83.082  ? 293 A 1 .
ATOM 4087 C CG2  . VAL Axp A    259 ? 122.213 144.944 187.223 1   91.41   ? 293 A 1 .
ATOM 4088 H H    . VAL Axp A    259 ? 122.831 147.292 187.007 1   59.202  ? 293 A 1 c
ATOM 4089 H HA   . VAL Axp A    259 ? 122.929 146.505 189.584 1   64.2    ? 293 A 1 c
ATOM 4090 H HB   . VAL Axp A    259 ? 124.228 144.951 187.634 1   78.576  ? 293 A 1 c
ATOM 4091 H HG11 . VAL Axp A    259 ? 122.557 144.128 189.781 1   81.584  ? 293 A 1 c
ATOM 4092 H HG12 . VAL Axp A    259 ? 124.14  144.158 189.854 1   81.117  ? 293 A 1 c
ATOM 4093 H HG13 . VAL Axp A    259 ? 123.412 143.148 188.872 1   81.5    ? 293 A 1 c
ATOM 4094 H HG21 . VAL Axp A    259 ? 121.954 144.009 187.169 1   87.216  ? 293 A 1 c
ATOM 4095 H HG22 . VAL Axp A    259 ? 122.456 145.261 186.337 1   87.021  ? 293 A 1 c
ATOM 4096 H HG23 . VAL Axp A    259 ? 121.466 145.466 187.561 1   86.771  ? 293 A 1 c
ATOM 4097 N N    . ALA Axp A    260 ? 125.626 147.492 188.308 1   56.147  ? 294 A 1 .
ATOM 4098 C CA   . ALA Axp A    260 ? 127.008 147.874 188.528 1   55.067  ? 294 A 1 .
ATOM 4099 C C    . ALA Axp A    260 ? 127.111 148.704 189.796 1   49.598  ? 294 A 1 .
ATOM 4100 O O    . ALA Axp A    260 ? 126.102 149.181 190.307 1   55.113  ? 294 A 1 .
ATOM 4101 C CB   . ALA Axp A    260 ? 127.518 148.647 187.33  1   58.941  ? 294 A 1 .
ATOM 4102 H H    . ALA Axp A    260 ? 125.231 147.729 187.519 1   56.578  ? 294 A 1 c
ATOM 4103 H HA   . ALA Axp A    260 ? 127.551 147.048 188.644 1   54.936  ? 294 A 1 c
ATOM 4104 H HB3  . ALA Axp A    260 ? 128.468 148.475 187.214 1   57.723  ? 294 A 1 c
ATOM 4105 H HB2  . ALA Axp A    260 ? 127.383 149.599 187.469 1   57.643  ? 294 A 1 c
ATOM 4106 H HB1  . ALA Axp A    260 ? 127.044 148.366 186.53  1   57.668  ? 294 A 1 c
ATOM 4107 N N    . ALA Axp A    261 ? 128.345 148.916 190.247 1   42.081  ? 295 A 1 .
ATOM 4108 C CA   . ALA Axp A    261 ? 128.611 149.801 191.369 1   41.097  ? 295 A 1 .
ATOM 4109 C C    . ALA Axp A    261 ? 128.116 151.21  191.074 1   37.749  ? 295 A 1 .
ATOM 4110 O O    . ALA Axp A    261 ? 127.446 151.451 190.087 1   38.634  ? 295 A 1 .
ATOM 4111 C CB   . ALA Axp A    261 ? 130.09  149.836 191.661 1   41.819  ? 295 A 1 .
ATOM 4112 H H    . ALA Axp A    261 ? 129.048 148.495 189.841 1   43.576  ? 295 A 1 c
ATOM 4113 H HA   . ALA Axp A    261 ? 128.123 149.455 192.167 1   40.779  ? 295 A 1 c
ATOM 4114 H HB3  . ALA Axp A    261 ? 130.238 150.169 192.561 1   41.574  ? 295 A 1 c
ATOM 4115 H HB2  . ALA Axp A    261 ? 130.536 150.419 191.024 1   41.59   ? 295 A 1 c
ATOM 4116 H HB1  . ALA Axp A    261 ? 130.459 148.94  191.588 1   41.679  ? 295 A 1 c
ATOM 4117 N N    . SER Axp A    262 ? 128.475 152.155 191.939 1   38.324  ? 296 A 1 .
ATOM 4118 C CA   . SER Axp A    262 ? 128.262 153.57  191.661 1   38.092  ? 296 A 1 .
ATOM 4119 C C    . SER Axp A    262 ? 129.508 154.21  191.018 1   38.887  ? 296 A 1 .
ATOM 4120 O O    . SER Axp A    262 ? 129.331 154.885 189.995 1   31.418  ? 296 A 1 .
ATOM 4121 C CB   . SER Axp A    262 ? 127.861 154.223 192.92  1   35.76   ? 296 A 1 .
ATOM 4122 O OG   . SER Axp A    262 ? 127.44  153.176 193.779 1   33.481  ? 296 A 1 .
ATOM 4123 H H    . SER Axp A    262 ? 128.852 151.916 192.737 1   38.186  ? 296 A 1 c
ATOM 4124 H HA   . SER Axp A    262 ? 127.51  153.651 191.021 1   37.782  ? 296 A 1 c
ATOM 4125 H HB3  . SER Axp A    262 ? 127.127 154.846 192.759 1   35.725  ? 296 A 1 c
ATOM 4126 H HB2  . SER Axp A    262 ? 128.618 154.699 193.312 1   35.738  ? 296 A 1 c
ATOM 4127 H HG   . SER Axp A    262 ? 127.173 153.661 194.687 0   28.02   ? 296 A 1 c
ATOM 4128 N N    . ALA Axp A    263 ? 130.729 153.949 191.597 1   37.494  ? 297 A 1 .
ATOM 4129 C CA   . ALA Axp A    263 ? 132.039 154.298 191.042 1   31.057  ? 297 A 1 .
ATOM 4130 C C    . ALA Axp A    263 ? 132.001 154.02  189.525 1   35.688  ? 297 A 1 .
ATOM 4131 O O    . ALA Axp A    263 ? 132.628 154.716 188.728 1   44.12   ? 297 A 1 .
ATOM 4132 C CB   . ALA Axp A    263 ? 133.178 153.61  191.823 1   23.923  ? 297 A 1 .
ATOM 4133 H H    . ALA Axp A    263 ? 130.718 153.522 192.405 1   36.046  ? 297 A 1 c
ATOM 4134 H HA   . ALA Axp A    263 ? 132.148 155.283 191.154 1   31.51   ? 297 A 1 c
ATOM 4135 H HB3  . ALA Axp A    263 ? 133.813 154.278 192.131 1   25.92   ? 297 A 1 c
ATOM 4136 H HB2  . ALA Axp A    263 ? 133.634 152.977 191.244 1   26.152  ? 297 A 1 c
ATOM 4137 H HB1  . ALA Axp A    263 ? 132.814 153.137 192.59  1   26.021  ? 297 A 1 c
ATOM 4138 N N    . TRP Axp A    264 ? 131.072 153.149 189.119 1   37.448  ? 298 A 1 .
ATOM 4139 C CA   . TRP Axp A    264 ? 131.006 152.464 187.833 1   37.24   ? 298 A 1 .
ATOM 4140 C C    . TRP Axp A    264 ? 131.419 153.286 186.628 1   35.959  ? 298 A 1 .
ATOM 4141 O O    . TRP Axp A    264 ? 130.994 154.411 186.473 1   39.595  ? 298 A 1 .
ATOM 4142 C CB   . TRP Axp A    264 ? 129.606 151.889 187.614 1   36.444  ? 298 A 1 .
ATOM 4143 C CG   . TRP Axp A    264 ? 128.651 152.706 186.805 1   37.88   ? 298 A 1 .
ATOM 4144 C CD1  . TRP Axp A    264 ? 127.578 153.357 187.309 1   43.758  ? 298 A 1 .
ATOM 4145 C CD2  . TRP Axp A    264 ? 128.565 152.838 185.369 1   41.937  ? 298 A 1 .
ATOM 4146 N NE1  . TRP Axp A    264 ? 126.859 153.921 186.292 1   48.61   ? 298 A 1 .
ATOM 4147 C CE2  . TRP Axp A    264 ? 127.429 153.625 185.086 1   41.873  ? 298 A 1 .
ATOM 4148 C CE3  . TRP Axp A    264 ? 129.33  152.394 184.293 1   45.965  ? 298 A 1 .
ATOM 4149 C CZ2  . TRP Axp A    264 ? 127.03  153.979 183.795 1   37.989  ? 298 A 1 .
ATOM 4150 C CZ3  . TRP Axp A    264 ? 128.933 152.733 183.012 1   45.926  ? 298 A 1 .
ATOM 4151 C CH2  . TRP Axp A    264 ? 127.792 153.504 182.763 1   39.528  ? 298 A 1 .
ATOM 4152 H H    . TRP Axp A    264 ? 130.422 152.936 189.722 1   36.952  ? 298 A 1 c
ATOM 4153 H HA   . TRP Axp A    264 ? 131.623 151.698 187.893 1   36.999  ? 298 A 1 c
ATOM 4154 H HB3  . TRP Axp A    264 ? 129.203 151.717 188.491 1   37.005  ? 298 A 1 c
ATOM 4155 H HB2  . TRP Axp A    264 ? 129.702 151.012 187.184 1   36.964  ? 298 A 1 c
ATOM 4156 H HD1  . TRP Axp A    264 ? 127.361 153.434 188.225 1   43.317  ? 298 A 1 c
ATOM 4157 H HE1  . TRP Axp A    264 ? 126.153 154.413 186.403 1   45.642  ? 298 A 1 c
ATOM 4158 H HE3  . TRP Axp A    264 ? 130.094 151.866 184.435 1   44.571  ? 298 A 1 c
ATOM 4159 H HZ2  . TRP Axp A    264 ? 126.256 154.494 183.643 1   39.332  ? 298 A 1 c
ATOM 4160 H HZ3  . TRP Axp A    264 ? 129.445 152.432 182.282 1   44.208  ? 298 A 1 c
ATOM 4161 H HH2  . TRP Axp A    264 ? 127.561 153.722 181.877 1   40.6    ? 298 A 1 c
ATOM 4162 N N    . THR Axp A    265 ? 132.125 152.611 185.721 1   33.851  ? 299 A 1 .
ATOM 4163 C CA   . THR Axp A    265 ? 132.65  153.183 184.5   1   32.29   ? 299 A 1 .
ATOM 4164 C C    . THR Axp A    265 ? 132.677 152.097 183.427 1   30.29   ? 299 A 1 .
ATOM 4165 O O    . THR Axp A    265 ? 132.578 150.918 183.741 1   31.461  ? 299 A 1 .
ATOM 4166 C CB   . THR Axp A    265 ? 134.044 153.681 184.864 1   33.623  ? 299 A 1 .
ATOM 4167 O OG1  . THR Axp A    265 ? 134.61  154.389 183.778 1   37.604  ? 299 A 1 .
ATOM 4168 C CG2  . THR Axp A    265 ? 135.007 152.531 185.062 1   33.736  ? 299 A 1 .
ATOM 4169 H H    . THR Axp A    265 ? 132.29  151.725 185.878 1   33.994  ? 299 A 1 c
ATOM 4170 H HA   . THR Axp A    265 ? 132.086 153.932 184.214 1   32.511  ? 299 A 1 c
ATOM 4171 H HB   . THR Axp A    265 ? 134.015 154.258 185.664 1   34.181  ? 299 A 1 c
ATOM 4172 H HG1  . THR Axp A    265 ? 134.552 153.746 182.981 0   24.42   ? 299 A 1 c
ATOM 4173 H HG21 . THR Axp A    265 ? 135.88  152.88  185.299 1   33.915  ? 299 A 1 c
ATOM 4174 H HG22 . THR Axp A    265 ? 135.079 152.02  184.24  1   33.837  ? 299 A 1 c
ATOM 4175 H HG23 . THR Axp A    265 ? 134.683 151.957 185.773 1   33.952  ? 299 A 1 c
ATOM 4176 N N    . PHE Axp A    266 ? 132.908 152.457 182.167 1   30.264  ? 300 A 1 .
ATOM 4177 C CA   . PHE Axp A    266 ? 132.816 151.466 181.103 1   32.975  ? 300 A 1 .
ATOM 4178 C C    . PHE Axp A    266 ? 133.983 151.477 180.12  1   32.887  ? 300 A 1 .
ATOM 4179 O O    . PHE Axp A    266 ? 134.402 152.518 179.641 1   31.797  ? 300 A 1 .
ATOM 4180 C CB   . PHE Axp A    266 ? 131.605 151.736 180.226 1   37.701  ? 300 A 1 .
ATOM 4181 C CG   . PHE Axp A    266 ? 131.462 150.833 179.01  1   42.412  ? 300 A 1 .
ATOM 4182 C CD1  . PHE Axp A    266 ? 131.537 149.463 179.14  1   47.794  ? 300 A 1 .
ATOM 4183 C CD2  . PHE Axp A    266 ? 131.23  151.352 177.743 1   45.26   ? 300 A 1 .
ATOM 4184 C CE1  . PHE Axp A    266 ? 131.346 148.646 178.046 1   53.385  ? 300 A 1 .
ATOM 4185 C CE2  . PHE Axp A    266 ? 131.062 150.529 176.645 1   44.769  ? 300 A 1 .
ATOM 4186 C CZ   . PHE Axp A    266 ? 131.125 149.181 176.795 1   47.854  ? 300 A 1 .
ATOM 4187 H H    . PHE Axp A    266 ? 133.126 153.321 181.964 1   30.908  ? 300 A 1 c
ATOM 4188 H HA   . PHE Axp A    266 ? 132.732 150.563 181.502 1   33.342  ? 300 A 1 c
ATOM 4189 H HB3  . PHE Axp A    266 ? 131.644 152.668 179.923 1   37.584  ? 300 A 1 c
ATOM 4190 H HB2  . PHE Axp A    266 ? 130.799 151.642 180.779 1   37.607  ? 300 A 1 c
ATOM 4191 H HD1  . PHE Axp A    266 ? 131.676 149.084 179.987 1   47.259  ? 300 A 1 c
ATOM 4192 H HD2  . PHE Axp A    266 ? 131.168 152.285 177.632 1   44.304  ? 300 A 1 c
ATOM 4193 H HE1  . PHE Axp A    266 ? 131.409 147.713 178.152 1   50.704  ? 300 A 1 c
ATOM 4194 H HE2  . PHE Axp A    266 ? 130.906 150.904 175.793 1   45.625  ? 300 A 1 c
ATOM 4195 H HZ   . PHE Axp A    266 ? 131.025 148.615 176.046 1   48.373  ? 300 A 1 c
ATOM 4196 N N    . LEU Axp A    267 ? 134.418 150.273 179.735 1   35.802  ? 301 A 1 .
ATOM 4197 C CA   . LEU Axp A    267 ? 135.588 150.081 178.904 1   36.158  ? 301 A 1 .
ATOM 4198 C C    . LEU Axp A    267 ? 135.235 149.311 177.654 1   42.155  ? 301 A 1 .
ATOM 4199 O O    . LEU Axp A    267 ? 134.339 148.488 177.669 1   46.238  ? 301 A 1 .
ATOM 4200 C CB   . LEU Axp A    267 ? 136.687 149.365 179.676 1   32.258  ? 301 A 1 .
ATOM 4201 C CG   . LEU Axp A    267 ? 137.916 150.243 179.904 1   32.284  ? 301 A 1 .
ATOM 4202 C CD1  . LEU Axp A    267 ? 137.496 151.629 180.337 1   33.669  ? 301 A 1 .
ATOM 4203 C CD2  . LEU Axp A    267 ? 138.889 149.681 180.884 1   32.331  ? 301 A 1 .
ATOM 4204 H H    . LEU Axp A    267 ? 133.968 149.531 180.021 1   35.284  ? 301 A 1 c
ATOM 4205 H HA   . LEU Axp A    267 ? 135.915 150.97  178.624 1   36.447  ? 301 A 1 c
ATOM 4206 H HB3  . LEU Axp A    267 ? 136.959 148.564 179.172 1   33.172  ? 301 A 1 c
ATOM 4207 H HB2  . LEU Axp A    267 ? 136.328 149.093 180.551 1   33.156  ? 301 A 1 c
ATOM 4208 H HG   . LEU Axp A    267 ? 138.39  150.327 179.044 1   32.694  ? 301 A 1 c
ATOM 4209 H HD11 . LEU Axp A    267 ? 137.333 152.182 179.555 1   33.342  ? 301 A 1 c
ATOM 4210 H HD12 . LEU Axp A    267 ? 138.204 152.031 180.869 1   33.262  ? 301 A 1 c
ATOM 4211 H HD13 . LEU Axp A    267 ? 136.687 151.575 180.871 1   33.277  ? 301 A 1 c
ATOM 4212 H HD21 . LEU Axp A    267 ? 139.115 148.77  180.631 1   32.281  ? 301 A 1 c
ATOM 4213 H HD22 . LEU Axp A    267 ? 138.494 149.681 181.771 1   32.357  ? 301 A 1 c
ATOM 4214 H HD23 . LEU Axp A    267 ? 139.695 150.224 180.89  1   32.285  ? 301 A 1 c
ATOM 4215 N N    . HIS Axp A    268 ? 136.004 149.577 176.604 1   53.877  ? 302 A 1 .
ATOM 4216 C CA   . HIS Axp A    268 ? 135.843 148.9   175.333 1   68.537  ? 302 A 1 .
ATOM 4217 C C    . HIS Axp A    268 ? 136.967 149.343 174.406 1   83.177  ? 302 A 1 .
ATOM 4218 O O    . HIS Axp A    268 ? 137.208 150.54  174.234 1   77.868  ? 302 A 1 .
ATOM 4219 C CB   . HIS Axp A    268 ? 134.476 149.204 174.712 1   70.753  ? 302 A 1 .
ATOM 4220 C CG   . HIS Axp A    268 ? 134.155 148.41  173.492 1   66.484  ? 302 A 1 .
ATOM 4221 N ND1  . HIS Axp A    268 ? 135.109 148.131 172.544 1   63.427  ? 302 A 1 .
ATOM 4222 C CD2  . HIS Axp A    268 ? 133.004 147.859 173.058 1   60.163  ? 302 A 1 .
ATOM 4223 C CE1  . HIS Axp A    268 ? 134.545 147.439 171.574 1   68.365  ? 302 A 1 .
ATOM 4224 N NE2  . HIS Axp A    268 ? 133.262 147.267 171.867 1   59.196  ? 302 A 1 .
ATOM 4225 H H    . HIS Axp A    268 ? 136.656 150.213 176.681 1   53.463  ? 302 A 1 c
ATOM 4226 H HA   . HIS Axp A    268 ? 135.924 147.927 175.487 1   68.381  ? 302 A 1 c
ATOM 4227 H HB3  . HIS Axp A    268 ? 134.442 150.159 174.485 1   69.165  ? 302 A 1 c
ATOM 4228 H HB2  . HIS Axp A    268 ? 133.78  149.041 175.383 1   68.877  ? 302 A 1 c
ATOM 4229 H HD1  . HIS Axp A    268 ? 135.965 148.376 172.52  0   48      ? 302 A 1 c
ATOM 4230 H HD2  . HIS Axp A    268 ? 132.172 147.887 173.488 1   61.423  ? 302 A 1 c
ATOM 4231 H HE1  . HIS Axp A    268 ? 134.985 147.118 170.805 1   64.963  ? 302 A 1 c
ATOM 4232 H HE2  . HIS Axp A    268 ? 132.704 146.844 171.288 0   48.08   ? 302 A 1 c
ATOM 4233 N N    . CYS Axp A    269 ? 137.637 148.353 173.807 1   92.39   ? 303 A 1 .
ATOM 4234 C CA   . CYS Axp A    269 ? 138.824 148.618 173.014 1   84.188  ? 303 A 1 .
ATOM 4235 C C    . CYS Axp A    269 ? 138.471 148.912 171.562 1   73.009  ? 303 A 1 .
ATOM 4236 O O    . CYS Axp A    269 ? 139.335 148.867 170.689 1   67.611  ? 303 A 1 .
ATOM 4237 C CB   . CYS Axp A    269 ? 139.677 147.377 172.903 1   73.17   ? 303 A 1 .
ATOM 4238 S SG   . CYS Axp A    269 ? 138.829 146.284 171.765 1   72.117  ? 303 A 1 .
ATOM 4239 H H    . CYS Axp A    269 ? 137.349 147.49  173.896 1   87.6    ? 303 A 1 c
ATOM 4240 H HA   . CYS Axp A    269 ? 139.322 149.382 173.402 1   81.437  ? 303 A 1 c
ATOM 4241 H HB3  . CYS Axp A    269 ? 139.77  146.942 173.779 1   75.328  ? 303 A 1 c
ATOM 4242 H HB2  . CYS Axp A    269 ? 140.567 147.599 172.552 1   74.872  ? 303 A 1 c
ATOM 4243 H HG   . CYS Axp A    269 ? 139.661 145.352 171.624 0   62.77   ? 303 A 1 c
ATOM 4244 N N    . LEU Axp A    270 ? 137.204 149.207 171.292 1   76.651  ? 304 A 1 .
ATOM 4245 C CA   . LEU Axp A    270 ? 136.811 149.598 169.949 1   89.873  ? 304 A 1 .
ATOM 4246 C C    . LEU Axp A    270 ? 136.95  148.426 168.979 1   94.644  ? 304 A 1 .
ATOM 4247 O O    . LEU Axp A    270 ? 137.597 147.432 169.279 1   112.241 ? 304 A 1 .
ATOM 4248 C CB   . LEU Axp A    270 ? 137.656 150.791 169.488 1   80.579  ? 304 A 1 .
ATOM 4249 C CG   . LEU Axp A    270 ? 137.178 152.166 169.963 1   74.181  ? 304 A 1 .
ATOM 4250 C CD1  . LEU Axp A    270 ? 138.243 153.225 169.795 1   72.749  ? 304 A 1 .
ATOM 4251 C CD2  . LEU Axp A    270 ? 135.92  152.611 169.222 1   73.322  ? 304 A 1 .
ATOM 4252 H H    . LEU Axp A    270 ? 136.579 149.214 171.955 1   78.469  ? 304 A 1 c
ATOM 4253 H HA   . LEU Axp A    270 ? 135.859 149.869 169.982 1   86.125  ? 304 A 1 c
ATOM 4254 H HB3  . LEU Axp A    270 ? 137.683 150.794 168.503 1   81.199  ? 304 A 1 c
ATOM 4255 H HB2  . LEU Axp A    270 ? 138.581 150.663 169.797 1   80.823  ? 304 A 1 c
ATOM 4256 H HG   . LEU Axp A    270 ? 136.959 152.1   170.929 1   74.884  ? 304 A 1 c
ATOM 4257 H HD11 . LEU Axp A    270 ? 139.048 152.955 170.269 1   73.221  ? 304 A 1 c
ATOM 4258 H HD12 . LEU Axp A    270 ? 137.923 154.068 170.157 1   73.186  ? 304 A 1 c
ATOM 4259 H HD13 . LEU Axp A    270 ? 138.446 153.335 168.851 1   73.184  ? 304 A 1 c
ATOM 4260 H HD21 . LEU Axp A    270 ? 135.185 152.014 169.44  1   73.79   ? 304 A 1 c
ATOM 4261 H HD22 . LEU Axp A    270 ? 136.082 152.591 168.264 1   73.729  ? 304 A 1 c
ATOM 4262 H HD23 . LEU Axp A    270 ? 135.689 153.516 169.491 1   73.638  ? 304 A 1 c
ATOM 4263 N N    . PRO Axp A    271 ? 136.375 148.534 167.765 1   82.587  ? 305 A 1 .
ATOM 4264 C CA   . PRO Axp A    271 ? 135.423 149.595 167.437 1   91.211  ? 305 A 1 .
ATOM 4265 C C    . PRO Axp A    271 ? 133.962 149.3   167.785 1   97.312  ? 305 A 1 .
ATOM 4266 O O    . PRO Axp A    271 ? 133.608 148.186 168.201 1   74.196  ? 305 A 1 .
ATOM 4267 C CB   . PRO Axp A    271 ? 135.656 149.836 165.948 1   89.218  ? 305 A 1 .
ATOM 4268 C CG   . PRO Axp A    271 ? 136.921 149.011 165.661 1   88.258  ? 305 A 1 .
ATOM 4269 C CD   . PRO Axp A    271 ? 136.843 147.838 166.573 1   77.295  ? 305 A 1 .
ATOM 4270 H HA   . PRO Axp A    271 ? 135.685 150.405 167.9   1   89.707  ? 305 A 1 c
ATOM 4271 H HB3  . PRO Axp A    271 ? 135.808 150.782 165.764 1   89.456  ? 305 A 1 c
ATOM 4272 H HB2  . PRO Axp A    271 ? 134.9   149.518 165.416 1   89.49   ? 305 A 1 c
ATOM 4273 H HG3  . PRO Axp A    271 ? 137.724 149.533 165.846 1   85.865  ? 305 A 1 c
ATOM 4274 H HG2  . PRO Axp A    271 ? 136.942 148.72  164.728 1   85.803  ? 305 A 1 c
ATOM 4275 H HD3  . PRO Axp A    271 ? 136.196 147.173 166.268 1   80.923  ? 305 A 1 c
ATOM 4276 H HD2  . PRO Axp A    271 ? 137.715 147.421 166.716 1   81.1    ? 305 A 1 c
ATOM 4277 N N    . ARG Axp A    272 ? 133.143 150.346 167.567 1   104.873 ? 306 A 1 .
ATOM 4278 C CA   . ARG Axp A    272 ? 131.753 150.437 167.996 1   104.613 ? 306 A 1 .
ATOM 4279 C C    . ARG Axp A    272 ? 131.122 149.049 168.178 1   94.121  ? 306 A 1 .
ATOM 4280 O O    . ARG Axp A    272 ? 131.466 148.366 169.142 1   79.5    ? 306 A 1 .
ATOM 4281 C CB   . ARG Axp A    272 ? 131.072 151.408 167.02  1   104.758 ? 306 A 1 .
ATOM 4282 C CG   . ARG Axp A    272 ? 129.618 151.706 167.358 1   106.008 ? 306 A 1 .
ATOM 4283 C CD   . ARG Axp A    272 ? 129.492 152.666 168.526 1   104.315 ? 306 A 1 .
ATOM 4284 N NE   . ARG Axp A    272 ? 128.25  152.462 169.286 1   100.987 ? 306 A 1 .
ATOM 4285 C CZ   . ARG Axp A    272 ? 127.995 151.473 170.154 1   78.319  ? 306 A 1 .
ATOM 4286 N NH1  . ARG Axp A    272 ? 128.886 150.513 170.341 1   68.679  ? 306 A 1 .
ATOM 4287 N NH2  . ARG Axp A    272 ? 126.853 151.464 170.832 1   72.611  ? 306 A 1 .
ATOM 4288 H H    . ARG Axp A    272 ? 133.492 151.062 167.118 1   102.823 ? 306 A 1 c
ATOM 4289 H HA   . ARG Axp A    272 ? 131.749 150.878 168.884 1   102.688 ? 306 A 1 c
ATOM 4290 H HB3  . ARG Axp A    272 ? 131.119 151.035 166.114 1   104.947 ? 306 A 1 c
ATOM 4291 H HB2  . ARG Axp A    272 ? 131.57  152.253 167.019 1   104.98  ? 306 A 1 c
ATOM 4292 H HG3  . ARG Axp A    272 ? 129.152 150.875 167.58  1   104.914 ? 306 A 1 c
ATOM 4293 H HG2  . ARG Axp A    272 ? 129.179 152.1   166.573 1   105.252 ? 306 A 1 c
ATOM 4294 H HD3  . ARG Axp A    272 ? 129.513 153.583 168.186 1   103.81  ? 306 A 1 c
ATOM 4295 H HD2  . ARG Axp A    272 ? 130.257 152.553 169.126 1   103.435 ? 306 A 1 c
ATOM 4296 H HE   . ARG Axp A    272 ? 127.612 153.042 169.161 1   95.406  ? 306 A 1 c
ATOM 4297 H HH11 . ARG Axp A    272 ? 129.727 150.715 170.515 1   71.799  ? 306 A 1 c
ATOM 4298 H HH12 . ARG Axp A    272 ? 128.634 149.667 170.287 1   71.6    ? 306 A 1 c
ATOM 4299 H HH21 . ARG Axp A    272 ? 126.108 151.744 170.447 1   74.429  ? 306 A 1 c
ATOM 4300 H HH22 . ARG Axp A    272 ? 126.847 151.175 171.666 1   74.164  ? 306 A 1 c
ATOM 4301 N N    . LYS Axp A    273 ? 130.184 148.671 167.282 1   95.987  ? 307 A 1 .
ATOM 4302 C CA   . LYS Axp A    273 ? 129.471 147.396 167.298 1   105.172 ? 307 A 1 .
ATOM 4303 C C    . LYS Axp A    273 ? 128.205 147.423 168.163 1   106.662 ? 307 A 1 .
ATOM 4304 O O    . LYS Axp A    273 ? 128.193 146.798 169.225 1   114.604 ? 307 A 1 .
ATOM 4305 C CB   . LYS Axp A    273 ? 130.412 146.272 167.743 1   112.56  ? 307 A 1 .
ATOM 4306 C CG   . LYS Axp A    273 ? 131.417 145.913 166.683 1   120.976 ? 307 A 1 .
ATOM 4307 C CD   . LYS Axp A    273 ? 130.818 144.84  165.777 1   128.749 ? 307 A 1 .
ATOM 4308 C CE   . LYS Axp A    273 ? 131.745 144.283 164.737 1   133.006 ? 307 A 1 .
ATOM 4309 N NZ   . LYS Axp A    273 ? 131.792 145.113 163.533 1   136.307 ? 307 A 1 .
ATOM 4310 H H    . LYS Axp A    273 ? 130.004 149.237 166.589 1   97.795  ? 307 A 1 c
ATOM 4311 H HA   . LYS Axp A    273 ? 129.197 147.195 166.368 1   105.043 ? 307 A 1 c
ATOM 4312 H HB3  . LYS Axp A    273 ? 129.879 145.475 167.951 1   112.603 ? 307 A 1 c
ATOM 4313 H HB2  . LYS Axp A    273 ? 130.887 146.533 168.557 1   112.111 ? 307 A 1 c
ATOM 4314 H HG3  . LYS Axp A    273 ? 132.233 145.578 167.102 1   120.764 ? 307 A 1 c
ATOM 4315 H HG2  . LYS Axp A    273 ? 131.634 146.711 166.154 1   120.455 ? 307 A 1 c
ATOM 4316 H HD3  . LYS Axp A    273 ? 130.033 145.22  165.326 1   127.696 ? 307 A 1 c
ATOM 4317 H HD2  . LYS Axp A    273 ? 130.5   144.1   166.339 1   127.661 ? 307 A 1 c
ATOM 4318 H HE3  . LYS Axp A    273 ? 131.452 143.387 164.492 1   132.791 ? 307 A 1 c
ATOM 4319 H HE2  . LYS Axp A    273 ? 132.643 144.216 165.109 1   132.791 ? 307 A 1 c
ATOM 4320 H HZ1  . LYS Axp A    273 ? 131.988 145.968 163.757 1   135.244 ? 307 A 1 c
ATOM 4321 H HZ2  . LYS Axp A    273 ? 130.989 145.091 163.114 1   135.274 ? 307 A 1 c
ATOM 4322 H HZ3  . LYS Axp A    273 ? 132.43  144.8   162.97  1   135.274 ? 307 A 1 c
ATOM 4323 N N    . PRO Axp A    274 ? 127.075 148.046 167.715 1   100.045 ? 308 A 1 .
ATOM 4324 C CA   . PRO Axp A    274 ? 125.813 148.03  168.465 1   94.964  ? 308 A 1 .
ATOM 4325 C C    . PRO Axp A    274 ? 125.358 146.666 168.998 1   90.094  ? 308 A 1 .
ATOM 4326 O O    . PRO Axp A    274 ? 124.403 146.604 169.773 1   88.065  ? 308 A 1 .
ATOM 4327 C CB   . PRO Axp A    274 ? 124.792 148.614 167.475 1   84.936  ? 308 A 1 .
ATOM 4328 C CG   . PRO Axp A    274 ? 125.644 149.567 166.668 1   87.966  ? 308 A 1 .
ATOM 4329 C CD   . PRO Axp A    274 ? 126.969 148.864 166.493 1   94.138  ? 308 A 1 .
ATOM 4330 H HA   . PRO Axp A    274 ? 125.894 148.647 169.22  1   92.835  ? 308 A 1 c
ATOM 4331 H HB3  . PRO Axp A    274 ? 124.077 149.088 167.943 1   87.768  ? 308 A 1 c
ATOM 4332 H HB2  . PRO Axp A    274 ? 124.408 147.916 166.909 1   87.778  ? 308 A 1 c
ATOM 4333 H HG3  . PRO Axp A    274 ? 125.765 150.413 167.143 1   88.628  ? 308 A 1 c
ATOM 4334 H HG2  . PRO Axp A    274 ? 125.235 149.749 165.799 1   88.628  ? 308 A 1 c
ATOM 4335 H HD3  . PRO Axp A    274 ? 126.969 148.298 165.697 1   94.069  ? 308 A 1 c
ATOM 4336 H HD2  . PRO Axp A    274 ? 127.705 149.502 166.437 1   94.19   ? 308 A 1 c
ATOM 4337 N N    . GLU Axp A    275 ? 126.023 145.582 168.568 1   91.134  ? 309 A 1 .
ATOM 4338 C CA   . GLU Axp A    275 ? 125.712 144.228 169.004 1   93.616  ? 309 A 1 .
ATOM 4339 C C    . GLU Axp A    275 ? 125.857 144.074 170.517 1   80.338  ? 309 A 1 .
ATOM 4340 O O    . GLU Axp A    275 ? 125.041 143.395 171.127 1   82.878  ? 309 A 1 .
ATOM 4341 C CB   . GLU Axp A    275 ? 126.599 143.166 168.339 1   110.6   ? 309 A 1 .
ATOM 4342 C CG   . GLU Axp A    275 ? 126.033 142.572 167.052 1   118.004 ? 309 A 1 .
ATOM 4343 C CD   . GLU Axp A    275 ? 125.821 143.526 165.887 1   118.653 ? 309 A 1 .
ATOM 4344 O OE1  . GLU Axp A    275 ? 126.799 144.16  165.439 1   116.143 ? 309 A 1 .
ATOM 4345 O OE2  . GLU Axp A    275 ? 124.669 143.618 165.417 1   103.795 ? 309 A 1 .
ATOM 4346 H H    . GLU Axp A    275 ? 126.684 145.689 167.947 1   91.872  ? 309 A 1 c
ATOM 4347 H HA   . GLU Axp A    275 ? 124.77  144.038 168.763 1   93.402  ? 309 A 1 c
ATOM 4348 H HB3  . GLU Axp A    275 ? 126.744 142.434 168.974 1   107.866 ? 309 A 1 c
ATOM 4349 H HB2  . GLU Axp A    275 ? 127.472 143.564 168.142 1   107.921 ? 309 A 1 c
ATOM 4350 H HG3  . GLU Axp A    275 ? 125.172 142.15  167.257 1   116.358 ? 309 A 1 c
ATOM 4351 H HG2  . GLU Axp A    275 ? 126.633 141.859 166.751 1   116.509 ? 309 A 1 c
ATOM 4352 N N    . GLU Axp A    276 ? 126.931 144.61  171.11  1   85.002  ? 310 A 1 .
ATOM 4353 C CA   . GLU Axp A    276 ? 127.248 144.301 172.504 1   95.545  ? 310 A 1 .
ATOM 4354 C C    . GLU Axp A    276 ? 127.297 145.574 173.347 1   88.562  ? 310 A 1 .
ATOM 4355 O O    . GLU Axp A    276 ? 128.068 145.632 174.302 1   80.105  ? 310 A 1 .
ATOM 4356 C CB   . GLU Axp A    276 ? 128.545 143.5   172.723 1   108.182 ? 310 A 1 .
ATOM 4357 C CG   . GLU Axp A    276 ? 129.867 144.244 172.51  1   98.931  ? 310 A 1 .
ATOM 4358 C CD   . GLU Axp A    276 ? 130.142 144.683 171.08  1   95.601  ? 310 A 1 .
ATOM 4359 O OE1  . GLU Axp A    276 ? 129.563 144.12  170.102 1   85.657  ? 310 A 1 .
ATOM 4360 O OE2  . GLU Axp A    276 ? 130.952 145.632 170.968 1   89.191  ? 310 A 1 .
ATOM 4361 H H    . GLU Axp A    276 ? 127.472 145.181 170.645 1   86.215  ? 310 A 1 c
ATOM 4362 H HA   . GLU Axp A    276 ? 126.515 143.742 172.861 1   93.916  ? 310 A 1 c
ATOM 4363 H HB3  . GLU Axp A    276 ? 128.537 142.735 172.114 1   103.108 ? 310 A 1 c
ATOM 4364 H HB2  . GLU Axp A    276 ? 128.541 143.15  173.637 1   102.99  ? 310 A 1 c
ATOM 4365 H HG3  . GLU Axp A    276 ? 130.603 143.663 172.797 1   100.007 ? 310 A 1 c
ATOM 4366 H HG2  . GLU Axp A    276 ? 129.889 145.037 173.084 1   99.841  ? 310 A 1 c
ATOM 4367 N N    . VAL Axp A    277 ? 126.488 146.583 172.991 1   81.076  ? 311 A 1 .
ATOM 4368 C CA   . VAL Axp A    277 ? 126.424 147.816 173.766 1   69.752  ? 311 A 1 .
ATOM 4369 C C    . VAL Axp A    277 ? 125.674 148.883 172.982 1   59.764  ? 311 A 1 .
ATOM 4370 O O    . VAL Axp A    277 ? 125.875 149.042 171.788 1   57.038  ? 311 A 1 .
ATOM 4371 C CB   . VAL Axp A    277 ? 127.783 148.395 174.187 1   69.278  ? 311 A 1 .
ATOM 4372 C CG1  . VAL Axp A    277 ? 128.65  148.735 172.985 1   75.259  ? 311 A 1 .
ATOM 4373 C CG2  . VAL Axp A    277 ? 127.571 149.62  175.041 1   70.004  ? 311 A 1 .
ATOM 4374 H H    . VAL Axp A    277 ? 125.957 146.498 172.252 1   80.014  ? 311 A 1 c
ATOM 4375 H HA   . VAL Axp A    277 ? 125.917 147.625 174.574 1   69.503  ? 311 A 1 c
ATOM 4376 H HB   . VAL Axp A    277 ? 128.245 147.721 174.732 1   70.783  ? 311 A 1 c
ATOM 4377 H HG11 . VAL Axp A    277 ? 128.476 149.649 172.706 1   73.297  ? 311 A 1 c
ATOM 4378 H HG12 . VAL Axp A    277 ? 128.446 148.13  172.253 1   73.426  ? 311 A 1 c
ATOM 4379 H HG13 . VAL Axp A    277 ? 129.587 148.645 173.226 1   73.41   ? 311 A 1 c
ATOM 4380 H HG21 . VAL Axp A    277 ? 128.378 149.802 175.551 1   69.66   ? 311 A 1 c
ATOM 4381 H HG22 . VAL Axp A    277 ? 126.832 149.466 175.653 1   69.43   ? 311 A 1 c
ATOM 4382 H HG23 . VAL Axp A    277 ? 127.369 150.383 174.476 1   69.48   ? 311 A 1 c
ATOM 4383 N N    . ASP Axp A    278 ? 124.842 149.634 173.694 1   58.994  ? 312 A 1 .
ATOM 4384 C CA   . ASP Axp A    278 ? 124.008 150.654 173.088 1   66.839  ? 312 A 1 .
ATOM 4385 C C    . ASP Axp A    278 ? 124.725 151.967 173.272 1   58.501  ? 312 A 1 .
ATOM 4386 O O    . ASP Axp A    278 ? 125.583 152.072 174.137 1   58.266  ? 312 A 1 .
ATOM 4387 C CB   . ASP Axp A    278 ? 122.649 150.777 173.762 1   77.965  ? 312 A 1 .
ATOM 4388 C CG   . ASP Axp A    278 ? 122.688 150.573 175.27  1   83.292  ? 312 A 1 .
ATOM 4389 O OD1  . ASP Axp A    278 ? 123.768 150.174 175.769 1   83.709  ? 312 A 1 .
ATOM 4390 O OD2  . ASP Axp A    278 ? 121.651 150.811 175.928 1   86.848  ? 312 A 1 .
ATOM 4391 H H    . ASP Axp A    278 ? 124.794 149.509 174.598 1   61.246  ? 312 A 1 c
ATOM 4392 H HA   . ASP Axp A    278 ? 123.9   150.464 172.129 1   65.326  ? 312 A 1 c
ATOM 4393 H HB3  . ASP Axp A    278 ? 122.049 150.102 173.38  1   76.354  ? 312 A 1 c
ATOM 4394 H HB2  . ASP Axp A    278 ? 122.264 151.659 173.577 1   76.088  ? 312 A 1 c
ATOM 4395 N N    . ASP Axp A    279 ? 124.318 152.963 172.494 1   56.2    ? 313 A 1 .
ATOM 4396 C CA   . ASP Axp A    279 ? 124.911 154.276 172.649 1   65.396  ? 313 A 1 .
ATOM 4397 C C    . ASP Axp A    279 ? 124.748 154.745 174.093 1   63.851  ? 313 A 1 .
ATOM 4398 O O    . ASP Axp A    279 ? 125.579 155.486 174.605 1   64.111  ? 313 A 1 .
ATOM 4399 C CB   . ASP Axp A    279 ? 124.347 155.276 171.654 1   67.963  ? 313 A 1 .
ATOM 4400 C CG   . ASP Axp A    279 ? 124.41  154.832 170.205 1   67.513  ? 313 A 1 .
ATOM 4401 O OD1  . ASP Axp A    279 ? 124.758 153.647 169.954 1   65.439  ? 313 A 1 .
ATOM 4402 O OD2  . ASP Axp A    279 ? 124.111 155.682 169.355 1   76.279  ? 313 A 1 .
ATOM 4403 H H    . ASP Axp A    279 ? 123.664 152.829 171.87  1   58.908  ? 313 A 1 c
ATOM 4404 H HA   . ASP Axp A    279 ? 125.873 154.193 172.461 1   63.595  ? 313 A 1 c
ATOM 4405 H HB3  . ASP Axp A    279 ? 124.834 156.122 171.739 1   67.213  ? 313 A 1 c
ATOM 4406 H HB2  . ASP Axp A    279 ? 123.409 155.446 171.88  1   67.255  ? 313 A 1 c
ATOM 4407 N N    . ASP Axp A    280 ? 123.679 154.275 174.74  1   62.053  ? 314 A 1 .
ATOM 4408 C CA   . ASP Axp A    280 ? 123.327 154.681 176.085 1   59.59   ? 314 A 1 .
ATOM 4409 C C    . ASP Axp A    280 ? 124.528 154.53  177.004 1   50.194  ? 314 A 1 .
ATOM 4410 O O    . ASP Axp A    280 ? 124.852 155.463 177.726 1   49.183  ? 314 A 1 .
ATOM 4411 C CB   . ASP Axp A    280 ? 122.108 153.92  176.578 1   65.971  ? 314 A 1 .
ATOM 4412 C CG   . ASP Axp A    280 ? 120.912 154.025 175.643 1   72.288  ? 314 A 1 .
ATOM 4413 O OD1  . ASP Axp A    280 ? 120.52  155.183 175.335 1   64.942  ? 314 A 1 .
ATOM 4414 O OD2  . ASP Axp A    280 ? 120.422 152.957 175.191 1   77.203  ? 314 A 1 .
ATOM 4415 H H    . ASP Axp A    280 ? 123.131 153.684 174.311 1   62.041  ? 314 A 1 c
ATOM 4416 H HA   . ASP Axp A    280 ? 123.08  155.633 176.059 1   59.261  ? 314 A 1 c
ATOM 4417 H HB3  . ASP Axp A    280 ? 121.845 154.277 177.452 1   65.869  ? 314 A 1 c
ATOM 4418 H HB2  . ASP Axp A    280 ? 122.345 152.979 176.696 1   66.064  ? 314 A 1 c
ATOM 4419 N N    . VAL Axp A    281 ? 125.163 153.361 176.971 1   42.522  ? 315 A 1 .
ATOM 4420 C CA   . VAL Axp A    281 ? 126.332 153.127 177.79  1   45.232  ? 315 A 1 .
ATOM 4421 C C    . VAL Axp A    281 ? 127.519 153.782 177.118 1   49.323  ? 315 A 1 .
ATOM 4422 O O    . VAL Axp A    281 ? 128.082 154.734 177.631 1   54.696  ? 315 A 1 .
ATOM 4423 C CB   . VAL Axp A    281 ? 126.637 151.639 177.992 1   48.479  ? 315 A 1 .
ATOM 4424 C CG1  . VAL Axp A    281 ? 127.99  151.407 178.641 1   44.347  ? 315 A 1 .
ATOM 4425 C CG2  . VAL Axp A    281 ? 125.547 150.959 178.791 1   55.555  ? 315 A 1 .
ATOM 4426 H H    . VAL Axp A    281 ? 124.859 152.691 176.428 1   45.062  ? 315 A 1 c
ATOM 4427 H HA   . VAL Axp A    281 ? 126.193 153.541 178.664 1   46.076  ? 315 A 1 c
ATOM 4428 H HB   . VAL Axp A    281 ? 126.654 151.221 177.102 1   48.564  ? 315 A 1 c
ATOM 4429 H HG11 . VAL Axp A    281 ? 128.166 152.11  179.29  1   45.575  ? 315 A 1 c
ATOM 4430 H HG12 . VAL Axp A    281 ? 128.68  151.416 177.96  1   45.574  ? 315 A 1 c
ATOM 4431 H HG13 . VAL Axp A    281 ? 127.993 150.546 179.091 1   45.645  ? 315 A 1 c
ATOM 4432 H HG21 . VAL Axp A    281 ? 125.746 150.012 178.869 1   53.381  ? 315 A 1 c
ATOM 4433 H HG22 . VAL Axp A    281 ? 124.694 151.078 178.342 1   53.377  ? 315 A 1 c
ATOM 4434 H HG23 . VAL Axp A    281 ? 125.502 151.353 179.678 1   53.362  ? 315 A 1 c
ATOM 4435 N N    . PHE Axp A    282 ? 127.879 153.235 175.96  1   54.35   ? 316 A 1 .
ATOM 4436 C CA   . PHE Axp A    282 ? 129.09  153.583 175.236 1   53.988  ? 316 A 1 .
ATOM 4437 C C    . PHE Axp A    282 ? 129.366 155.08  175.248 1   46.844  ? 316 A 1 .
ATOM 4438 O O    . PHE Axp A    282 ? 130.519 155.469 175.39  1   44.914  ? 316 A 1 .
ATOM 4439 C CB   . PHE Axp A    282 ? 128.919 153.103 173.796 1   57.856  ? 316 A 1 .
ATOM 4440 C CG   . PHE Axp A    282 ? 130.158 153.207 172.92  1   56.802  ? 316 A 1 .
ATOM 4441 C CD1  . PHE Axp A    282 ? 130.578 154.423 172.403 1   55.359  ? 316 A 1 .
ATOM 4442 C CD2  . PHE Axp A    282 ? 130.854 152.063 172.556 1   57.859  ? 316 A 1 .
ATOM 4443 C CE1  . PHE Axp A    282 ? 131.69  154.489 171.585 1   56.012  ? 316 A 1 .
ATOM 4444 C CE2  . PHE Axp A    282 ? 131.959 152.135 171.737 1   55.342  ? 316 A 1 .
ATOM 4445 C CZ   . PHE Axp A    282 ? 132.383 153.348 171.269 1   55.441  ? 316 A 1 .
ATOM 4446 H H    . PHE Axp A    282 ? 127.323 152.613 175.587 1   52.894  ? 316 A 1 c
ATOM 4447 H HA   . PHE Axp A    282 ? 129.86  153.106 175.647 1   53.287  ? 316 A 1 c
ATOM 4448 H HB3  . PHE Axp A    282 ? 128.197 153.626 173.382 1   56.665  ? 316 A 1 c
ATOM 4449 H HB2  . PHE Axp A    282 ? 128.627 152.166 173.816 1   56.761  ? 316 A 1 c
ATOM 4450 H HD1  . PHE Axp A    282 ? 130.113 155.213 172.627 1   55.85   ? 316 A 1 c
ATOM 4451 H HD2  . PHE Axp A    282 ? 130.574 151.225 172.887 1   56.986  ? 316 A 1 c
ATOM 4452 H HE1  . PHE Axp A    282 ? 131.982 155.324 171.256 1   55.742  ? 316 A 1 c
ATOM 4453 H HE2  . PHE Axp A    282 ? 132.436 151.35  171.518 1   55.951  ? 316 A 1 c
ATOM 4454 H HZ   . PHE Axp A    282 ? 133.138 153.397 170.705 1   55.575  ? 316 A 1 c
ATOM 4455 N N    . TYR Axp A    283 ? 128.327 155.902 175.077 1   41.827  ? 317 A 1 .
ATOM 4456 C CA   . TYR Axp A    283 ? 128.531 157.333 175.073 1   46.706  ? 317 A 1 .
ATOM 4457 C C    . TYR Axp A    283 ? 128.236 157.963 176.432 1   48.855  ? 317 A 1 .
ATOM 4458 O O    . TYR Axp A    283 ? 128.367 159.175 176.559 1   58.343  ? 317 A 1 .
ATOM 4459 C CB   . TYR Axp A    283 ? 127.677 157.954 173.975 1   52.314  ? 317 A 1 .
ATOM 4460 C CG   . TYR Axp A    283 ? 128.212 157.588 172.605 1   57.97   ? 317 A 1 .
ATOM 4461 C CD1  . TYR Axp A    283 ? 129.211 158.338 171.997 1   62.533  ? 317 A 1 .
ATOM 4462 C CD2  . TYR Axp A    283 ? 127.718 156.484 171.931 1   60.32   ? 317 A 1 .
ATOM 4463 C CE1  . TYR Axp A    283 ? 129.694 158.006 170.743 1   63.861  ? 317 A 1 .
ATOM 4464 C CE2  . TYR Axp A    283 ? 128.192 156.142 170.675 1   60.483  ? 317 A 1 .
ATOM 4465 C CZ   . TYR Axp A    283 ? 129.195 156.897 170.089 1   62.269  ? 317 A 1 .
ATOM 4466 O OH   . TYR Axp A    283 ? 129.704 156.567 168.869 1   66.275  ? 317 A 1 .
ATOM 4467 H H    . TYR Axp A    283 ? 127.487 155.567 174.949 1   44.304  ? 317 A 1 c
ATOM 4468 H HA   . TYR Axp A    283 ? 129.484 157.511 174.854 1   47.099  ? 317 A 1 c
ATOM 4469 H HB3  . TYR Axp A    283 ? 127.684 158.932 174.076 1   52.206  ? 317 A 1 c
ATOM 4470 H HB2  . TYR Axp A    283 ? 126.754 157.632 174.063 1   52.199  ? 317 A 1 c
ATOM 4471 H HD1  . TYR Axp A    283 ? 129.559 159.094 172.441 1   61.692  ? 317 A 1 c
ATOM 4472 H HD2  . TYR Axp A    283 ? 127.041 155.964 172.329 1   59.976  ? 317 A 1 c
ATOM 4473 H HE1  . TYR Axp A    283 ? 130.379 158.518 170.348 1   63.109  ? 317 A 1 c
ATOM 4474 H HE2  . TYR Axp A    283 ? 127.856 155.382 170.233 1   60.875  ? 317 A 1 c
ATOM 4475 H HH   . TYR Axp A    283 ? 130.088 156.9   168.62  0   52.54   ? 317 A 1 c
ATOM 4476 N N    . SER Axp A    284 ? 127.854 157.172 177.443 1   49.82   ? 318 A 1 .
ATOM 4477 C CA   . SER Axp A    284 ? 127.69  157.696 178.794 1   50.348  ? 318 A 1 .
ATOM 4478 C C    . SER Axp A    284 ? 128.993 158.322 179.244 1   54.048  ? 318 A 1 .
ATOM 4479 O O    . SER Axp A    284 ? 130.055 157.721 179.071 1   57.583  ? 318 A 1 .
ATOM 4480 C CB   . SER Axp A    284 ? 127.303 156.66  179.809 1   49.865  ? 318 A 1 .
ATOM 4481 O OG   . SER Axp A    284 ? 127.764 157.022 181.105 1   42.671  ? 318 A 1 .
ATOM 4482 H H    . SER Axp A    284 ? 127.681 156.289 177.288 1   49.592  ? 318 A 1 c
ATOM 4483 H HA   . SER Axp A    284 ? 126.991 158.396 178.771 1   50.901  ? 318 A 1 c
ATOM 4484 H HB3  . SER Axp A    284 ? 127.688 155.801 179.561 1   48.208  ? 318 A 1 c
ATOM 4485 H HB2  . SER Axp A    284 ? 126.332 156.568 179.823 1   48.165  ? 318 A 1 c
ATOM 4486 H HG   . SER Axp A    284 ? 127.517 156.391 181.647 0   37.07   ? 318 A 1 c
ATOM 4487 N N    . PRO Axp A    285 ? 128.947 159.497 179.901 1   57.417  ? 319 A 1 .
ATOM 4488 C CA   . PRO Axp A    285 ? 130.177 160.139 180.336 1   59.055  ? 319 A 1 .
ATOM 4489 C C    . PRO Axp A    285 ? 130.927 159.239 181.307 1   52.692  ? 319 A 1 .
ATOM 4490 O O    . PRO Axp A    285 ? 131.964 159.629 181.834 1   59.423  ? 319 A 1 .
ATOM 4491 C CB   . PRO Axp A    285 ? 129.682 161.429 180.975 1   62.288  ? 319 A 1 .
ATOM 4492 C CG   . PRO Axp A    285 ? 128.271 161.068 181.439 1   57.402  ? 319 A 1 .
ATOM 4493 C CD   . PRO Axp A    285 ? 127.733 160.192 180.359 1   54.863  ? 319 A 1 .
ATOM 4494 H HA   . PRO Axp A    285 ? 130.741 160.338 179.56  1   58.082  ? 319 A 1 c
ATOM 4495 H HB3  . PRO Axp A    285 ? 129.662 162.158 180.324 1   60.417  ? 319 A 1 c
ATOM 4496 H HB2  . PRO Axp A    285 ? 130.245 161.687 181.731 1   60.376  ? 319 A 1 c
ATOM 4497 H HG3  . PRO Axp A    285 ? 127.72  161.869 181.541 1   57.85   ? 319 A 1 c
ATOM 4498 H HG2  . PRO Axp A    285 ? 128.296 160.589 182.292 1   57.85   ? 319 A 1 c
ATOM 4499 H HD3  . PRO Axp A    285 ? 127.075 159.56  180.708 1   55.87   ? 319 A 1 c
ATOM 4500 H HD2  . PRO Axp A    285 ? 127.334 160.714 179.636 1   55.987  ? 319 A 1 c
ATOM 4501 N N    . ARG Axp A    286 ? 130.348 158.052 181.553 1   41.749  ? 320 A 1 .
ATOM 4502 C CA   . ARG Axp A    286 ? 130.929 157.08  182.453 1   38.075  ? 320 A 1 .
ATOM 4503 C C    . ARG Axp A    286 ? 131.831 156.134 181.678 1   34.638  ? 320 A 1 .
ATOM 4504 O O    . ARG Axp A    286 ? 132.539 155.345 182.284 1   33.48   ? 320 A 1 .
ATOM 4505 C CB   . ARG Axp A    286 ? 129.815 156.32  183.177 1   38.075  ? 320 A 1 .
ATOM 4506 C CG   . ARG Axp A    286 ? 130.026 156.374 184.681 1   39.249  ? 320 A 1 .
ATOM 4507 C CD   . ARG Axp A    286 ? 129.958 157.822 185.192 1   42.689  ? 320 A 1 .
ATOM 4508 N NE   . ARG Axp A    286 ? 130.116 157.972 186.642 1   47.231  ? 320 A 1 .
ATOM 4509 C CZ   . ARG Axp A    286 ? 129.377 157.356 187.541 1   56.668  ? 320 A 1 .
ATOM 4510 N NH1  . ARG Axp A    286 ? 128.439 156.538 187.145 1   63.705  ? 320 A 1 .
ATOM 4511 N NH2  . ARG Axp A    286 ? 129.568 157.526 188.832 1   65.358  ? 320 A 1 .
ATOM 4512 H H    . ARG Axp A    286 ? 129.544 157.855 181.169 1   43.398  ? 320 A 1 c
ATOM 4513 H HA   . ARG Axp A    286 ? 131.485 157.559 183.114 1   38.327  ? 320 A 1 c
ATOM 4514 H HB3  . ARG Axp A    286 ? 129.808 155.385 182.883 1   38.372  ? 320 A 1 c
ATOM 4515 H HB2  . ARG Axp A    286 ? 128.946 156.717 182.962 1   38.431  ? 320 A 1 c
ATOM 4516 H HG3  . ARG Axp A    286 ? 130.906 155.999 184.896 1   39.782  ? 320 A 1 c
ATOM 4517 H HG2  . ARG Axp A    286 ? 129.336 155.837 185.124 1   40.038  ? 320 A 1 c
ATOM 4518 H HD3  . ARG Axp A    286 ? 129.094 158.198 184.929 1   42.897  ? 320 A 1 c
ATOM 4519 H HD2  . ARG Axp A    286 ? 130.651 158.35  184.748 1   42.849  ? 320 A 1 c
ATOM 4520 H HE   . ARG Axp A    286 ? 130.742 158.505 186.931 1   48.287  ? 320 A 1 c
ATOM 4521 H HH11 . ARG Axp A    286 ? 127.743 156.845 186.694 1   61.215  ? 320 A 1 c
ATOM 4522 H HH12 . ARG Axp A    286 ? 128.51  155.682 187.337 1   60.961  ? 320 A 1 c
ATOM 4523 H HH21 . ARG Axp A    286 ? 129.041 158.072 189.284 1   62.55   ? 320 A 1 c
ATOM 4524 H HH22 . ARG Axp A    286 ? 130.217 157.086 189.238 1   62.551  ? 320 A 1 c
ATOM 4525 N N    . SER Axp A    287 ? 131.764 156.204 180.348 1   35.283  ? 321 A 1 .
ATOM 4526 C CA   . SER Axp A    287 ? 132.572 155.354 179.493 1   37.105  ? 321 A 1 .
ATOM 4527 C C    . SER Axp A    287 ? 133.879 156.065 179.177 1   39.315  ? 321 A 1 .
ATOM 4528 O O    . SER Axp A    287 ? 133.89  157.206 178.741 1   50.167  ? 321 A 1 .
ATOM 4529 C CB   . SER Axp A    287 ? 131.856 154.956 178.204 1   35.465  ? 321 A 1 .
ATOM 4530 O OG   . SER Axp A    287 ? 132.351 155.644 177.062 1   33.936  ? 321 A 1 .
ATOM 4531 H H    . SER Axp A    287 ? 131.192 156.798 179.954 1   35.815  ? 321 A 1 c
ATOM 4532 H HA   . SER Axp A    287 ? 132.784 154.529 179.994 1   36.761  ? 321 A 1 c
ATOM 4533 H HB3  . SER Axp A    287 ? 130.901 155.137 178.3   1   35.477  ? 321 A 1 c
ATOM 4534 H HB2  . SER Axp A    287 ? 131.966 154     178.067 1   35.58   ? 321 A 1 c
ATOM 4535 H HG   . SER Axp A    287 ? 131.763 155.498 176.48  0   32.25   ? 321 A 1 c
ATOM 4536 N N    . LEU Axp A    288 ? 134.978 155.345 179.323 1   38.542  ? 322 A 1 .
ATOM 4537 C CA   . LEU Axp A    288 ? 136.277 155.88  178.982 1   39.811  ? 322 A 1 .
ATOM 4538 C C    . LEU Axp A    288 ? 136.719 155.294 177.642 1   38.55   ? 322 A 1 .
ATOM 4539 O O    . LEU Axp A    288 ? 137.902 155.074 177.373 1   35.705  ? 322 A 1 .
ATOM 4540 C CB   . LEU Axp A    288 ? 137.193 155.502 180.141 1   41.864  ? 322 A 1 .
ATOM 4541 C CG   . LEU Axp A    288 ? 136.542 155.466 181.527 1   40.225  ? 322 A 1 .
ATOM 4542 C CD1  . LEU Axp A    288 ? 137.667 155.205 182.533 1   39.473  ? 322 A 1 .
ATOM 4543 C CD2  . LEU Axp A    288 ? 135.709 156.72  181.845 1   39.365  ? 322 A 1 .
ATOM 4544 H H    . LEU Axp A    288 ? 134.919 154.481 179.617 1   39.011  ? 322 A 1 c
ATOM 4545 H HA   . LEU Axp A    288 ? 136.219 156.867 178.911 1   39.748  ? 322 A 1 c
ATOM 4546 H HB3  . LEU Axp A    288 ? 137.938 156.146 180.165 1   40.985  ? 322 A 1 c
ATOM 4547 H HB2  . LEU Axp A    288 ? 137.574 154.613 179.956 1   40.964  ? 322 A 1 c
ATOM 4548 H HG   . LEU Axp A    288 ? 135.933 154.684 181.559 1   40.187  ? 322 A 1 c
ATOM 4549 H HD11 . LEU Axp A    288 ? 138.047 154.326 182.374 1   39.503  ? 322 A 1 c
ATOM 4550 H HD12 . LEU Axp A    288 ? 137.31  155.244 183.437 1   39.651  ? 322 A 1 c
ATOM 4551 H HD13 . LEU Axp A    288 ? 138.359 155.88  182.43  1   39.667  ? 322 A 1 c
ATOM 4552 H HD21 . LEU Axp A    288 ? 134.764 156.51  181.776 1   39.571  ? 322 A 1 c
ATOM 4553 H HD22 . LEU Axp A    288 ? 135.929 157.427 181.216 1   39.618  ? 322 A 1 c
ATOM 4554 H HD23 . LEU Axp A    288 ? 135.906 157.021 182.748 1   39.606  ? 322 A 1 c
ATOM 4555 N N    . VAL Axp A    289 ? 135.746 155.1   176.765 1   39.253  ? 323 A 1 .
ATOM 4556 C CA   . VAL Axp A    289 ? 136.041 154.457 175.508 1   42.038  ? 323 A 1 .
ATOM 4557 C C    . VAL Axp A    289 ? 137.154 155.23  174.814 1   39.517  ? 323 A 1 .
ATOM 4558 O O    . VAL Axp A    289 ? 138.126 154.626 174.369 1   39.034  ? 323 A 1 .
ATOM 4559 C CB   . VAL Axp A    289 ? 134.784 154.377 174.629 1   46.561  ? 323 A 1 .
ATOM 4560 C CG1  . VAL Axp A    289 ? 135.13  153.931 173.21  1   45.757  ? 323 A 1 .
ATOM 4561 C CG2  . VAL Axp A    289 ? 133.685 153.518 175.263 1   45.166  ? 323 A 1 .
ATOM 4562 H H    . VAL Axp A    289 ? 134.897 155.393 176.932 1   39.797  ? 323 A 1 c
ATOM 4563 H HA   . VAL Axp A    289 ? 136.355 153.549 175.69  1   41.748  ? 323 A 1 c
ATOM 4564 H HB   . VAL Axp A    289 ? 134.428 155.294 174.562 1   45.276  ? 323 A 1 c
ATOM 4565 H HG11 . VAL Axp A    289 ? 135.918 153.362 173.229 1   45.933  ? 323 A 1 c
ATOM 4566 H HG12 . VAL Axp A    289 ? 135.307 154.711 172.658 1   45.955  ? 323 A 1 c
ATOM 4567 H HG13 . VAL Axp A    289 ? 134.385 153.435 172.836 1   46.012  ? 323 A 1 c
ATOM 4568 H HG21 . VAL Axp A    289 ? 132.815 153.889 175.041 1   45.458  ? 323 A 1 c
ATOM 4569 H HG22 . VAL Axp A    289 ? 133.794 153.506 176.228 1   45.378  ? 323 A 1 c
ATOM 4570 H HG23 . VAL Axp A    289 ? 133.745 152.61  174.921 1   45.516  ? 323 A 1 c
ATOM 4571 N N    . PHE Axp A    290 ? 136.995 156.553 174.724 1   37.632  ? 324 A 1 .
ATOM 4572 C CA   . PHE Axp A    290 ? 137.907 157.354 173.923 1   39.895  ? 324 A 1 .
ATOM 4573 C C    . PHE Axp A    290 ? 139.261 157.514 174.597 1   36.115  ? 324 A 1 .
ATOM 4574 O O    . PHE Axp A    290 ? 140.295 157.385 173.93  1   32.088  ? 324 A 1 .
ATOM 4575 C CB   . PHE Axp A    290 ? 137.248 158.692 173.606 1   46.192  ? 324 A 1 .
ATOM 4576 C CG   . PHE Axp A    290 ? 136.111 158.457 172.629 1   58.346  ? 324 A 1 .
ATOM 4577 C CD1  . PHE Axp A    290 ? 136.379 158.251 171.281 1   61.966  ? 324 A 1 .
ATOM 4578 C CD2  . PHE Axp A    290 ? 134.789 158.377 173.058 1   65.709  ? 324 A 1 .
ATOM 4579 C CE1  . PHE Axp A    290 ? 135.355 158.006 170.384 1   62.051  ? 324 A 1 .
ATOM 4580 C CE2  . PHE Axp A    290 ? 133.767 158.154 172.148 1   63.281  ? 324 A 1 .
ATOM 4581 C CZ   . PHE Axp A    290 ? 134.053 157.963 170.818 1   61.639  ? 324 A 1 .
ATOM 4582 H H    . PHE Axp A    290 ? 136.296 156.961 175.149 1   38.58   ? 324 A 1 c
ATOM 4583 H HA   . PHE Axp A    290 ? 138.052 156.877 173.063 1   39.896  ? 324 A 1 c
ATOM 4584 H HB3  . PHE Axp A    290 ? 137.912 159.295 173.204 1   46.989  ? 324 A 1 c
ATOM 4585 H HB2  . PHE Axp A    290 ? 136.897 159.092 174.431 1   46.755  ? 324 A 1 c
ATOM 4586 H HD1  . PHE Axp A    290 ? 137.272 158.282 170.975 1   61.068  ? 324 A 1 c
ATOM 4587 H HD2  . PHE Axp A    290 ? 134.585 158.514 173.969 1   63.222  ? 324 A 1 c
ATOM 4588 H HE1  . PHE Axp A    290 ? 135.551 157.885 169.469 1   61.9    ? 324 A 1 c
ATOM 4589 H HE2  . PHE Axp A    290 ? 132.872 158.115 172.447 1   63.349  ? 324 A 1 c
ATOM 4590 H HZ   . PHE Axp A    290 ? 133.356 157.802 170.203 1   62.096  ? 324 A 1 c
ATOM 4591 N N    . PRO Axp A    291 ? 139.282 157.845 175.911 1   32.436  ? 325 A 1 .
ATOM 4592 C CA   . PRO Axp A    291 ? 140.522 157.972 176.659 1   31.22   ? 325 A 1 .
ATOM 4593 C C    . PRO Axp A    291 ? 141.305 156.685 176.631 1   36.558  ? 325 A 1 .
ATOM 4594 O O    . PRO Axp A    291 ? 142.523 156.717 176.514 1   38.518  ? 325 A 1 .
ATOM 4595 C CB   . PRO Axp A    291 ? 140.105 158.166 178.08  1   27.941  ? 325 A 1 .
ATOM 4596 C CG   . PRO Axp A    291 ? 138.758 158.804 177.87  1   28.791  ? 325 A 1 .
ATOM 4597 C CD   . PRO Axp A    291 ? 138.114 158.1   176.754 1   29.257  ? 325 A 1 .
ATOM 4598 H HA   . PRO Axp A    291 ? 141.06  158.721 176.326 1   31.72   ? 325 A 1 c
ATOM 4599 H HB3  . PRO Axp A    291 ? 140.715 158.765 178.552 1   28.883  ? 325 A 1 c
ATOM 4600 H HB2  . PRO Axp A    291 ? 140.028 157.316 178.555 1   29.007  ? 325 A 1 c
ATOM 4601 H HG3  . PRO Axp A    291 ? 138.858 159.753 177.657 1   28.705  ? 325 A 1 c
ATOM 4602 H HG2  . PRO Axp A    291 ? 138.213 158.724 178.678 1   28.705  ? 325 A 1 c
ATOM 4603 H HD3  . PRO Axp A    291 ? 137.696 157.278 177.04  1   30.134  ? 325 A 1 c
ATOM 4604 H HD2  . PRO Axp A    291 ? 137.462 158.665 176.303 1   30.21   ? 325 A 1 c
ATOM 4605 N N    . GLU Axp A    292 ? 140.555 155.581 176.709 1   39.908  ? 326 A 1 .
ATOM 4606 C CA   . GLU Axp A    292 ? 141.124 154.267 176.497 1   43.182  ? 326 A 1 .
ATOM 4607 C C    . GLU Axp A    292 ? 141.91  154.35  175.194 1   43.659  ? 326 A 1 .
ATOM 4608 O O    . GLU Axp A    292 ? 143.138 154.32  175.21  1   43.221  ? 326 A 1 .
ATOM 4609 C CB   . GLU Axp A    292 ? 140.01  153.218 176.518 1   45.76   ? 326 A 1 .
ATOM 4610 C CG   . GLU Axp A    292 ? 140.505 151.786 176.658 1   45.494  ? 326 A 1 .
ATOM 4611 C CD   . GLU Axp A    292 ? 139.363 150.799 176.697 1   46.437  ? 326 A 1 .
ATOM 4612 O OE1  . GLU Axp A    292 ? 138.313 151.13  177.269 1   44.242  ? 326 A 1 .
ATOM 4613 O OE2  . GLU Axp A    292 ? 139.517 149.678 176.18  1   57.711  ? 326 A 1 .
ATOM 4614 H H    . GLU Axp A    292 ? 139.666 155.649 176.909 1   39.57   ? 326 A 1 c
ATOM 4615 H HA   . GLU Axp A    292 ? 141.754 154.077 177.233 1   42.893  ? 326 A 1 c
ATOM 4616 H HB3  . GLU Axp A    292 ? 139.483 153.29  175.698 1   45.007  ? 326 A 1 c
ATOM 4617 H HB2  . GLU Axp A    292 ? 139.418 153.406 177.273 1   44.966  ? 326 A 1 c
ATOM 4618 H HG3  . GLU Axp A    292 ? 141.027 151.701 177.484 1   45.77   ? 326 A 1 c
ATOM 4619 H HG2  . GLU Axp A    292 ? 141.089 151.567 175.901 1   45.769  ? 326 A 1 c
ATOM 4620 N N    . ALA Axp A    293 ? 141.185 154.572 174.094 1   42.823  ? 327 A 1 .
ATOM 4621 C CA   . ALA Axp A    293 ? 141.776 154.661 172.773 1   41.83   ? 327 A 1 .
ATOM 4622 C C    . ALA Axp A    293 ? 143.011 155.543 172.779 1   36.036  ? 327 A 1 .
ATOM 4623 O O    . ALA Axp A    293 ? 144.046 155.14  172.286 1   33.776  ? 327 A 1 .
ATOM 4624 C CB   . ALA Axp A    293 ? 140.784 155.221 171.82  1   48.098  ? 327 A 1 .
ATOM 4625 H H    . ALA Axp A    293 ? 140.281 154.682 174.176 1   42.874  ? 327 A 1 c
ATOM 4626 H HA   . ALA Axp A    293 ? 142.04  153.745 172.48  1   41.91   ? 327 A 1 c
ATOM 4627 H HB3  . ALA Axp A    293 ? 140.991 154.918 170.92  1   46.032  ? 327 A 1 c
ATOM 4628 H HB2  . ALA Axp A    293 ? 140.814 156.192 171.843 1   45.808  ? 327 A 1 c
ATOM 4629 H HB1  . ALA Axp A    293 ? 139.891 154.922 172.06  1   45.998  ? 327 A 1 c
ATOM 4630 N N    . GLU Axp A    294 ? 142.895 156.743 173.331 1   36.639  ? 328 A 1 .
ATOM 4631 C CA   . GLU Axp A    294 ? 144.035 157.647 173.355 1   40.912  ? 328 A 1 .
ATOM 4632 C C    . GLU Axp A    294 ? 145.25  156.943 173.957 1   40.054  ? 328 A 1 .
ATOM 4633 O O    . GLU Axp A    294 ? 146.288 156.826 173.315 1   37.189  ? 328 A 1 .
ATOM 4634 C CB   . GLU Axp A    294 ? 143.765 158.948 174.116 1   42.383  ? 328 A 1 .
ATOM 4635 C CG   . GLU Axp A    294 ? 145.027 159.774 174.342 1   41.231  ? 328 A 1 .
ATOM 4636 C CD   . GLU Axp A    294 ? 144.803 161.246 174.628 1   42.443  ? 328 A 1 .
ATOM 4637 O OE1  . GLU Axp A    294 ? 144.595 161.994 173.656 1   48.626  ? 328 A 1 .
ATOM 4638 O OE2  . GLU Axp A    294 ? 144.84  161.64  175.808 1   36.566  ? 328 A 1 .
ATOM 4639 H H    . GLU Axp A    294 ? 142.101 157.012 173.696 1   37.554  ? 328 A 1 c
ATOM 4640 H HA   . GLU Axp A    294 ? 144.252 157.885 172.418 1   40.127  ? 328 A 1 c
ATOM 4641 H HB3  . GLU Axp A    294 ? 143.363 158.732 174.983 1   41.765  ? 328 A 1 c
ATOM 4642 H HB2  . GLU Axp A    294 ? 143.117 159.482 173.61  1   41.782  ? 328 A 1 c
ATOM 4643 H HG3  . GLU Axp A    294 ? 145.599 159.7   173.548 1   41.746  ? 328 A 1 c
ATOM 4644 H HG2  . GLU Axp A    294 ? 145.526 159.39  175.095 1   41.722  ? 328 A 1 c
ATOM 4645 N N    . ASN Axp A    295 ? 145.089 156.472 175.193 1   40.128  ? 329 A 1 .
ATOM 4646 C CA   . ASN Axp A    295 ? 146.186 155.968 175.998 1   40.735  ? 329 A 1 .
ATOM 4647 C C    . ASN Axp A    295 ? 146.998 154.891 175.293 1   41.169  ? 329 A 1 .
ATOM 4648 O O    . ASN Axp A    295 ? 148.187 154.767 175.561 1   46.145  ? 329 A 1 .
ATOM 4649 C CB   . ASN Axp A    295 ? 145.679 155.469 177.336 1   41.553  ? 329 A 1 .
ATOM 4650 C CG   . ASN Axp A    295 ? 145.305 156.632 178.215 1   42.605  ? 329 A 1 .
ATOM 4651 O OD1  . ASN Axp A    295 ? 145.75  157.754 177.967 1   40.02   ? 329 A 1 .
ATOM 4652 N ND2  . ASN Axp A    295 ? 144.517 156.385 179.251 1   46.673  ? 329 A 1 .
ATOM 4653 H H    . ASN Axp A    295 ? 144.249 156.466 175.553 1   40.258  ? 329 A 1 c
ATOM 4654 H HA   . ASN Axp A    295 ? 146.793 156.721 176.177 1   40.852  ? 329 A 1 c
ATOM 4655 H HB3  . ASN Axp A    295 ? 146.375 154.939 177.774 1   41.583  ? 329 A 1 c
ATOM 4656 H HB2  . ASN Axp A    295 ? 144.897 154.898 177.198 1   41.51   ? 329 A 1 c
ATOM 4657 H HD21 . ASN Axp A    295 ? 144.29  157.042 179.802 1   44.901  ? 329 A 1 c
ATOM 4658 H HD22 . ASN Axp A    295 ? 144.212 155.564 179.383 1   44.82   ? 329 A 1 c
ATOM 4659 N N    . ARG Axp A    296 ? 146.391 154.133 174.382 1   40.459  ? 330 A 1 .
ATOM 4660 C CA   . ARG Axp A    296 ? 147.166 153.203 173.576 1   44.213  ? 330 A 1 .
ATOM 4661 C C    . ARG Axp A    296 ? 148.527 153.788 173.204 1   41.617  ? 330 A 1 .
ATOM 4662 O O    . ARG Axp A    296 ? 149.532 153.077 173.254 1   46.962  ? 330 A 1 .
ATOM 4663 C CB   . ARG Axp A    296 ? 146.452 152.843 172.273 1   49.531  ? 330 A 1 .
ATOM 4664 C CG   . ARG Axp A    296 ? 145.318 151.856 172.478 1   54.017  ? 330 A 1 .
ATOM 4665 C CD   . ARG Axp A    296 ? 145.891 150.577 173.038 1   56.79   ? 330 A 1 .
ATOM 4666 N NE   . ARG Axp A    296 ? 147.057 150.171 172.248 1   63.961  ? 330 A 1 .
ATOM 4667 C CZ   . ARG Axp A    296 ? 146.997 149.514 171.089 1   67.843  ? 330 A 1 .
ATOM 4668 N NH1  . ARG Axp A    296 ? 145.836 149.14  170.572 1   63.058  ? 330 A 1 .
ATOM 4669 N NH2  . ARG Axp A    296 ? 148.119 149.195 170.474 1   71.818  ? 330 A 1 .
ATOM 4670 H H    . ARG Axp A    296 ? 145.485 154.179 174.268 1   41.47   ? 330 A 1 c
ATOM 4671 H HA   . ARG Axp A    296 ? 147.317 152.385 174.11  1   44.008  ? 330 A 1 c
ATOM 4672 H HB3  . ARG Axp A    296 ? 147.101 152.462 171.643 1   49.255  ? 330 A 1 c
ATOM 4673 H HB2  . ARG Axp A    296 ? 146.093 153.662 171.871 1   49.138  ? 330 A 1 c
ATOM 4674 H HG3  . ARG Axp A    296 ? 144.876 151.671 171.621 1   53.641  ? 330 A 1 c
ATOM 4675 H HG2  . ARG Axp A    296 ? 144.662 152.227 173.108 1   53.59   ? 330 A 1 c
ATOM 4676 H HD3  . ARG Axp A    296 ? 145.214 149.872 173.003 1   57.584  ? 330 A 1 c
ATOM 4677 H HD2  . ARG Axp A    296 ? 146.153 150.698 173.973 1   57.516  ? 330 A 1 c
ATOM 4678 H HE   . ARG Axp A    296 ? 147.847 150.37  172.557 1   63.08   ? 330 A 1 c
ATOM 4679 H HH11 . ARG Axp A    296 ? 145.285 149.748 170.244 1   64.4    ? 330 A 1 c
ATOM 4680 H HH12 . ARG Axp A    296 ? 145.617 148.283 170.559 1   64.472  ? 330 A 1 c
ATOM 4681 H HH21 . ARG Axp A    296 ? 148.747 149.807 170.36  1   70.57   ? 330 A 1 c
ATOM 4682 H HH22 . ARG Axp A    296 ? 148.238 148.37  170.178 1   70.57   ? 330 A 1 c
ATOM 4683 N N    . LYS Axp A    297 ? 148.533 155.081 172.848 1   36.192  ? 331 A 1 .
ATOM 4684 C CA   . LYS Axp A    297 ? 149.72  155.801 172.425 1   35.811  ? 331 A 1 .
ATOM 4685 C C    . LYS Axp A    297 ? 150.711 155.946 173.58  1   34.755  ? 331 A 1 .
ATOM 4686 O O    . LYS Axp A    297 ? 151.867 155.513 173.509 1   34.903  ? 331 A 1 .
ATOM 4687 C CB   . LYS Axp A    297 ? 149.276 157.163 171.875 1   37.534  ? 331 A 1 .
ATOM 4688 C CG   . LYS Axp A    297 ? 150.356 157.955 171.137 1   40.882  ? 331 A 1 .
ATOM 4689 C CD   . LYS Axp A    297 ? 150.006 159.33  170.561 1   41.675  ? 331 A 1 .
ATOM 4690 C CE   . LYS Axp A    297 ? 151.108 159.937 169.718 1   42.138  ? 331 A 1 .
ATOM 4691 N NZ   . LYS Axp A    297 ? 150.567 160.94  168.803 1   41.954  ? 331 A 1 .
ATOM 4692 H H    . LYS Axp A    297 ? 147.738 155.533 172.852 1   37.416  ? 331 A 1 c
ATOM 4693 H HA   . LYS Axp A    297 ? 150.154 155.287 171.698 1   35.994  ? 331 A 1 c
ATOM 4694 H HB3  . LYS Axp A    297 ? 148.945 157.711 172.617 1   37.819  ? 331 A 1 c
ATOM 4695 H HB2  . LYS Axp A    297 ? 148.527 157.019 171.257 1   37.856  ? 331 A 1 c
ATOM 4696 H HG3  . LYS Axp A    297 ? 150.686 157.393 170.403 1   40.22   ? 331 A 1 c
ATOM 4697 H HG2  . LYS Axp A    297 ? 151.099 158.072 171.75  1   39.986  ? 331 A 1 c
ATOM 4698 H HD3  . LYS Axp A    297 ? 149.801 159.94  171.303 1   41.6    ? 331 A 1 c
ATOM 4699 H HD2  . LYS Axp A    297 ? 149.196 159.245 170.013 1   41.604  ? 331 A 1 c
ATOM 4700 H HE3  . LYS Axp A    297 ? 151.555 159.241 169.206 1   41.844  ? 331 A 1 c
ATOM 4701 H HE2  . LYS Axp A    297 ? 151.768 160.359 170.298 1   41.962  ? 331 A 1 c
ATOM 4702 H HZ1  . LYS Axp A    297 ? 150.095 161.556 169.272 1   41.984  ? 331 A 1 c
ATOM 4703 H HZ2  . LYS Axp A    297 ? 150.018 160.545 168.201 1   41.936  ? 331 A 1 c
ATOM 4704 H HZ3  . LYS Axp A    297 ? 151.244 161.357 168.369 1   41.955  ? 331 A 1 c
ATOM 4705 N N    . TRP Axp A    298 ? 150.274 156.609 174.643 1   33.583  ? 332 A 1 .
ATOM 4706 C CA   . TRP Axp A    298 ? 151.175 156.832 175.757 1   35.874  ? 332 A 1 .
ATOM 4707 C C    . TRP Axp A    298 ? 151.723 155.519 176.308 1   35.928  ? 332 A 1 .
ATOM 4708 O O    . TRP Axp A    298 ? 152.905 155.465 176.613 1   39.404  ? 332 A 1 .
ATOM 4709 C CB   . TRP Axp A    298 ? 150.498 157.665 176.842 1   37.123  ? 332 A 1 .
ATOM 4710 C CG   . TRP Axp A    298 ? 149.974 158.953 176.283 1   37.37   ? 332 A 1 .
ATOM 4711 C CD1  . TRP Axp A    298 ? 148.677 159.328 176.125 1   38.706  ? 332 A 1 .
ATOM 4712 C CD2  . TRP Axp A    298 ? 150.761 159.997 175.697 1   39.095  ? 332 A 1 .
ATOM 4713 N NE1  . TRP Axp A    298 ? 148.604 160.564 175.553 1   38.501  ? 332 A 1 .
ATOM 4714 C CE2  . TRP Axp A    298 ? 149.865 160.984 175.252 1   39.779  ? 332 A 1 .
ATOM 4715 C CE3  . TRP Axp A    298 ? 152.126 160.188 175.505 1   46.608  ? 332 A 1 .
ATOM 4716 C CZ2  . TRP Axp A    298 ? 150.29  162.143 174.621 1   41.825  ? 332 A 1 .
ATOM 4717 C CZ3  . TRP Axp A    298 ? 152.554 161.333 174.872 1   47.089  ? 332 A 1 .
ATOM 4718 C CH2  . TRP Axp A    298 ? 151.644 162.291 174.428 1   45.234  ? 332 A 1 .
ATOM 4719 H H    . TRP Axp A    298 ? 149.411 156.906 174.688 1   34.461  ? 332 A 1 c
ATOM 4720 H HA   . TRP Axp A    298 ? 151.943 157.357 175.424 1   35.713  ? 332 A 1 c
ATOM 4721 H HB3  . TRP Axp A    298 ? 151.151 157.86  177.547 1   36.893  ? 332 A 1 c
ATOM 4722 H HB2  . TRP Axp A    298 ? 149.753 157.149 177.219 1   36.893  ? 332 A 1 c
ATOM 4723 H HD1  . TRP Axp A    298 ? 147.931 158.838 176.432 1   38.415  ? 332 A 1 c
ATOM 4724 H HE1  . TRP Axp A    298 ? 147.867 160.993 175.366 1   38.865  ? 332 A 1 c
ATOM 4725 H HE3  . TRP Axp A    298 ? 152.744 159.537 175.791 1   44.704  ? 332 A 1 c
ATOM 4726 H HZ2  . TRP Axp A    298 ? 149.676 162.792 174.321 1   42.21   ? 332 A 1 c
ATOM 4727 H HZ3  . TRP Axp A    298 ? 153.477 161.472 174.735 1   46.391  ? 332 A 1 c
ATOM 4728 H HH2  . TRP Axp A    298 ? 151.964 163.071 174.012 1   44.757  ? 332 A 1 c
ATOM 4729 N N    . THR Axp A    299 ? 150.892 154.474 176.413 1   33.739  ? 333 A 1 .
ATOM 4730 C CA   . THR Axp A    299 ? 151.353 153.174 176.886 1   34.398  ? 333 A 1 .
ATOM 4731 C C    . THR Axp A    299 ? 152.476 152.631 175.989 1   32.262  ? 333 A 1 .
ATOM 4732 O O    . THR Axp A    299 ? 153.596 152.396 176.462 1   31.149  ? 333 A 1 .
ATOM 4733 C CB   . THR Axp A    299 ? 150.182 152.191 177.001 1   35.82   ? 333 A 1 .
ATOM 4734 O OG1  . THR Axp A    299 ? 149.417 152.341 175.813 1   40.314  ? 333 A 1 .
ATOM 4735 C CG2  . THR Axp A    299 ? 149.284 152.458 178.198 1   33.617  ? 333 A 1 .
ATOM 4736 H H    . THR Axp A    299 ? 150.012 154.575 176.188 1   34.411  ? 333 A 1 c
ATOM 4737 H HA   . THR Axp A    299 ? 151.723 153.302 177.782 1   34.085  ? 333 A 1 c
ATOM 4738 H HB   . THR Axp A    299 ? 150.526 151.267 177.054 1   35.951  ? 333 A 1 c
ATOM 4739 H HG1  . THR Axp A    299 ? 149.09  153.153 175.722 0   15.36   ? 333 A 1 c
ATOM 4740 H HG21 . THR Axp A    299 ? 148.978 151.614 178.566 1   34.073  ? 333 A 1 c
ATOM 4741 H HG22 . THR Axp A    299 ? 148.519 152.988 177.918 1   34.142  ? 333 A 1 c
ATOM 4742 H HG23 . THR Axp A    299 ? 149.781 152.943 178.877 1   34.197  ? 333 A 1 c
ATOM 4743 N N    . ILE Axp A    300 ? 152.178 152.452 174.693 1   30.669  ? 334 A 1 .
ATOM 4744 C CA   . ILE Axp A    300 ? 153.132 151.901 173.735 1   29.659  ? 334 A 1 .
ATOM 4745 C C    . ILE Axp A    300 ? 154.46  152.655 173.764 1   27.37   ? 334 A 1 .
ATOM 4746 O O    . ILE Axp A    300 ? 155.528 152.072 173.574 1   25.232  ? 334 A 1 .
ATOM 4747 C CB   . ILE Axp A    300 ? 152.589 151.925 172.298 1   29.481  ? 334 A 1 .
ATOM 4748 C CG1  . ILE Axp A    300 ? 153.419 151.039 171.373 1   30.243  ? 334 A 1 .
ATOM 4749 C CG2  . ILE Axp A    300 ? 152.543 153.349 171.755 1   29.182  ? 334 A 1 .
ATOM 4750 C CD1  . ILE Axp A    300 ? 153.424 149.564 171.729 1   29.873  ? 334 A 1 .
ATOM 4751 H H    . ILE Axp A    300 ? 151.345 152.683 174.395 1   30.852  ? 334 A 1 c
ATOM 4752 H HA   . ILE Axp A    300 ? 153.302 150.973 173.979 1   29.376  ? 334 A 1 c
ATOM 4753 H HB   . ILE Axp A    300 ? 151.676 151.574 172.313 1   29.606  ? 334 A 1 c
ATOM 4754 H HG12 . ILE Axp A    300 ? 154.342 151.362 171.373 1   29.941  ? 334 A 1 c
ATOM 4755 H HG13 . ILE Axp A    300 ? 153.074 151.136 170.462 1   29.974  ? 334 A 1 c
ATOM 4756 H HG21 . ILE Axp A    300 ? 152.028 153.364 170.93  1   29.278  ? 334 A 1 c
ATOM 4757 H HG22 . ILE Axp A    300 ? 153.444 153.664 171.574 1   29.259  ? 334 A 1 c
ATOM 4758 H HG23 . ILE Axp A    300 ? 152.12  153.927 172.403 1   29.322  ? 334 A 1 c
ATOM 4759 H HD11 . ILE Axp A    300 ? 154.129 149.387 172.38  1   30.003  ? 334 A 1 c
ATOM 4760 H HD12 . ILE Axp A    300 ? 153.585 149.034 170.925 1   30.006  ? 334 A 1 c
ATOM 4761 H HD13 . ILE Axp A    300 ? 152.56  149.318 172.111 1   30.089  ? 334 A 1 c
ATOM 4762 N N    . MET Axp A    301 ? 154.384 153.973 173.898 1   27.213  ? 335 A 1 .
ATOM 4763 C CA   . MET Axp A    301 ? 155.596 154.759 173.984 1   28.836  ? 335 A 1 .
ATOM 4764 C C    . MET Axp A    301 ? 156.446 154.234 175.132 1   30.227  ? 335 A 1 .
ATOM 4765 O O    . MET Axp A    301 ? 157.519 153.69  174.904 1   32.04   ? 335 A 1 .
ATOM 4766 C CB   . MET Axp A    301 ? 155.256 156.236 174.17  1   28.678  ? 335 A 1 .
ATOM 4767 C CG   . MET Axp A    301 ? 154.898 156.874 172.869 1   28.451  ? 335 A 1 .
ATOM 4768 S SD   . MET Axp A    301 ? 154.552 158.61  173.156 1   29.072  ? 335 A 1 .
ATOM 4769 C CE   . MET Axp A    301 ? 152.798 158.229 173.067 1   32.01   ? 335 A 1 .
ATOM 4770 H H    . MET Axp A    301 ? 153.573 154.391 173.952 1   27.702  ? 335 A 1 c
ATOM 4771 H HA   . MET Axp A    301 ? 156.101 154.642 173.14  1   28.729  ? 335 A 1 c
ATOM 4772 H HB3  . MET Axp A    301 ? 156.026 156.697 174.561 1   28.801  ? 335 A 1 c
ATOM 4773 H HB2  . MET Axp A    301 ? 154.502 156.318 174.791 1   28.754  ? 335 A 1 c
ATOM 4774 H HG3  . MET Axp A    301 ? 154.116 156.435 172.485 1   28.709  ? 335 A 1 c
ATOM 4775 H HG2  . MET Axp A    301 ? 155.64  156.79  172.239 1   28.675  ? 335 A 1 c
ATOM 4776 H HE3  . MET Axp A    301 ? 152.522 157.813 173.899 1   31.501  ? 335 A 1 c
ATOM 4777 H HE2  . MET Axp A    301 ? 152.639 157.625 172.32  1   31.452  ? 335 A 1 c
ATOM 4778 H HE1  . MET Axp A    301 ? 152.298 159.056 172.938 1   31.504  ? 335 A 1 c
ATOM 4779 N N    . ALA Axp A    302 ? 155.9   154.372 176.344 1   33.515  ? 336 A 1 .
ATOM 4780 C CA   . ALA Axp A    302 ? 156.465 153.842 177.575 1   32.679  ? 336 A 1 .
ATOM 4781 C C    . ALA Axp A    302 ? 156.996 152.43  177.347 1   30.07   ? 336 A 1 .
ATOM 4782 O O    . ALA Axp A    302 ? 158.165 152.17  177.609 1   33.766  ? 336 A 1 .
ATOM 4783 C CB   . ALA Axp A    302 ? 155.424 153.872 178.682 1   34.288  ? 336 A 1 .
ATOM 4784 H H    . ALA Axp A    302 ? 155.11  154.827 176.405 1   32.42   ? 336 A 1 c
ATOM 4785 H HA   . ALA Axp A    302 ? 157.233 154.421 177.837 1   32.69   ? 336 A 1 c
ATOM 4786 H HB3  . ALA Axp A    302 ? 155.84  153.64  179.529 1   33.837  ? 336 A 1 c
ATOM 4787 H HB2  . ALA Axp A    302 ? 154.719 153.232 178.488 1   33.805  ? 336 A 1 c
ATOM 4788 H HB1  . ALA Axp A    302 ? 155.041 154.761 178.746 1   33.855  ? 336 A 1 c
ATOM 4789 N N    . VAL Axp A    303 ? 156.166 151.549 176.797 1   25.883  ? 337 A 1 .
ATOM 4790 C CA   . VAL Axp A    303 ? 156.634 150.217 176.471 1   25.746  ? 337 A 1 .
ATOM 4791 C C    . VAL Axp A    303 ? 157.958 150.284 175.718 1   25.182  ? 337 A 1 .
ATOM 4792 O O    . VAL Axp A    303 ? 158.927 149.67  176.105 1   26.482  ? 337 A 1 .
ATOM 4793 C CB   . VAL Axp A    303 ? 155.617 149.459 175.615 1   27.545  ? 337 A 1 .
ATOM 4794 C CG1  . VAL Axp A    303 ? 156.159 148.093 175.224 1   27.743  ? 337 A 1 .
ATOM 4795 C CG2  . VAL Axp A    303 ? 154.251 149.387 176.285 1   28.112  ? 337 A 1 .
ATOM 4796 H H    . VAL Axp A    303 ? 155.3   151.781 176.617 1   26.886  ? 337 A 1 c
ATOM 4797 H HA   . VAL Axp A    303 ? 156.771 149.724 177.304 1   25.99   ? 337 A 1 c
ATOM 4798 H HB   . VAL Axp A    303 ? 155.503 149.972 174.783 1   27.309  ? 337 A 1 c
ATOM 4799 H HG11 . VAL Axp A    303 ? 156.648 147.71  175.972 1   27.658  ? 337 A 1 c
ATOM 4800 H HG12 . VAL Axp A    303 ? 156.755 148.184 174.461 1   27.666  ? 337 A 1 c
ATOM 4801 H HG13 . VAL Axp A    303 ? 155.422 147.506 174.986 1   27.68   ? 337 A 1 c
ATOM 4802 H HG21 . VAL Axp A    303 ? 153.961 148.46  176.338 1   27.941  ? 337 A 1 c
ATOM 4803 H HG22 . VAL Axp A    303 ? 153.606 149.894 175.767 1   27.972  ? 337 A 1 c
ATOM 4804 H HG23 . VAL Axp A    303 ? 154.306 149.756 177.182 1   27.918  ? 337 A 1 c
ATOM 4805 N N    . MET Axp A    304 ? 158.003 150.981 174.593 1   26.464  ? 338 A 1 .
ATOM 4806 C CA   . MET Axp A    304 ? 159.256 151.09  173.856 1   29.422  ? 338 A 1 .
ATOM 4807 C C    . MET Axp A    304 ? 160.358 151.717 174.72  1   30.116  ? 338 A 1 .
ATOM 4808 O O    . MET Axp A    304 ? 161.349 151.085 175.065 1   30.145  ? 338 A 1 .
ATOM 4809 C CB   . MET Axp A    304 ? 159.048 151.875 172.554 1   28.997  ? 338 A 1 .
ATOM 4810 C CG   . MET Axp A    304 ? 158.051 151.193 171.635 1   28.85   ? 338 A 1 .
ATOM 4811 S SD   . MET Axp A    304 ? 158.585 149.578 171.033 1   28.745  ? 338 A 1 .
ATOM 4812 C CE   . MET Axp A    304 ? 156.948 148.867 170.835 1   29.275  ? 338 A 1 .
ATOM 4813 H H    . MET Axp A    304 ? 157.258 151.411 174.286 1   26.816  ? 338 A 1 c
ATOM 4814 H HA   . MET Axp A    304 ? 159.547 150.172 173.627 1   28.833  ? 338 A 1 c
ATOM 4815 H HB3  . MET Axp A    304 ? 159.907 151.963 172.092 1   29.206  ? 338 A 1 c
ATOM 4816 H HB2  . MET Axp A    304 ? 158.725 152.775 172.77  1   29.124  ? 338 A 1 c
ATOM 4817 H HG3  . MET Axp A    304 ? 157.884 151.769 170.865 1   28.872  ? 338 A 1 c
ATOM 4818 H HG2  . MET Axp A    304 ? 157.205 151.081 172.105 1   28.818  ? 338 A 1 c
ATOM 4819 H HE3  . MET Axp A    304 ? 156.332 149.554 170.522 1   29.163  ? 338 A 1 c
ATOM 4820 H HE2  . MET Axp A    304 ? 156.639 148.52  171.692 1   29.201  ? 338 A 1 c
ATOM 4821 H HE1  . MET Axp A    304 ? 156.985 148.144 170.182 1   29.202  ? 338 A 1 c
ATOM 4822 N N    . VAL Axp A    305 ? 160.165 152.965 175.107 1   32.443  ? 339 A 1 .
ATOM 4823 C CA   . VAL Axp A    305 ? 161.056 153.617 176.044 1   34.443  ? 339 A 1 .
ATOM 4824 C C    . VAL Axp A    305 ? 161.477 152.664 177.155 1   32.878  ? 339 A 1 .
ATOM 4825 O O    . VAL Axp A    305 ? 162.564 152.791 177.701 1   34.993  ? 339 A 1 .
ATOM 4826 C CB   . VAL Axp A    305 ? 160.347 154.824 176.668 1   39.888  ? 339 A 1 .
ATOM 4827 C CG1  . VAL Axp A    305 ? 161.266 155.529 177.647 1   41.649  ? 339 A 1 .
ATOM 4828 C CG2  . VAL Axp A    305 ? 159.842 155.81  175.621 1   42.076  ? 339 A 1 .
ATOM 4829 H H    . VAL Axp A    305 ? 159.445 153.426 174.786 1   32.414  ? 339 A 1 c
ATOM 4830 H HA   . VAL Axp A    305 ? 161.847 153.924 175.564 1   34.746  ? 339 A 1 c
ATOM 4831 H HB   . VAL Axp A    305 ? 159.568 154.482 177.165 1   39.459  ? 339 A 1 c
ATOM 4832 H HG11 . VAL Axp A    305 ? 162.147 155.631 177.251 1   41.091  ? 339 A 1 c
ATOM 4833 H HG12 . VAL Axp A    305 ? 161.337 155.007 178.464 1   41.007  ? 339 A 1 c
ATOM 4834 H HG13 . VAL Axp A    305 ? 160.906 156.407 177.859 1   41.1    ? 339 A 1 c
ATOM 4835 H HG21 . VAL Axp A    305 ? 159.639 156.66  176.045 1   41.366  ? 339 A 1 c
ATOM 4836 H HG22 . VAL Axp A    305 ? 159.041 155.462 175.202 1   41.159  ? 339 A 1 c
ATOM 4837 H HG23 . VAL Axp A    305 ? 160.527 155.944 174.946 1   41.406  ? 339 A 1 c
ATOM 4838 N N    . SER Axp A    306 ? 160.575 151.769 177.544 1   31.928  ? 340 A 1 .
ATOM 4839 C CA   . SER Axp A    306 ? 160.903 150.769 178.543 1   33.725  ? 340 A 1 .
ATOM 4840 C C    . SER Axp A    306 ? 162.012 149.849 178.06  1   32.389  ? 340 A 1 .
ATOM 4841 O O    . SER Axp A    306 ? 162.941 149.616 178.815 1   34.33   ? 340 A 1 .
ATOM 4842 C CB   . SER Axp A    306 ? 159.726 149.933 178.947 1   36.652  ? 340 A 1 .
ATOM 4843 O OG   . SER Axp A    306 ? 158.814 150.65  179.754 1   39.052  ? 340 A 1 .
ATOM 4844 H H    . SER Axp A    306 ? 159.726 151.797 177.209 1   32.512  ? 340 A 1 c
ATOM 4845 H HA   . SER Axp A    306 ? 161.231 151.244 179.349 1   33.649  ? 340 A 1 c
ATOM 4846 H HB3  . SER Axp A    306 ? 160.043 149.153 179.439 1   36.496  ? 340 A 1 c
ATOM 4847 H HB2  . SER Axp A    306 ? 159.268 149.618 178.153 1   36.293  ? 340 A 1 c
ATOM 4848 H HG   . SER Axp A    306 ? 158.063 150.239 179.934 0   21.12   ? 340 A 1 c
ATOM 4849 N N    . LEU Axp A    307 ? 161.9   149.321 176.837 1   31.715  ? 341 A 1 .
ATOM 4850 C CA   . LEU Axp A    307 ? 162.771 148.248 176.381 1   32.965  ? 341 A 1 .
ATOM 4851 C C    . LEU Axp A    307 ? 163.948 148.809 175.589 1   36.242  ? 341 A 1 .
ATOM 4852 O O    . LEU Axp A    307 ? 164.878 148.084 175.25  1   40.27   ? 341 A 1 .
ATOM 4853 C CB   . LEU Axp A    307 ? 162.033 147.236 175.509 1   32.101  ? 341 A 1 .
ATOM 4854 C CG   . LEU Axp A    307 ? 160.516 147.194 175.661 1   31.14   ? 341 A 1 .
ATOM 4855 C CD1  . LEU Axp A    307 ? 159.968 146.023 174.906 1   30.554  ? 341 A 1 .
ATOM 4856 C CD2  . LEU Axp A    307 ? 160.108 147.116 177.113 1   31.728  ? 341 A 1 .
ATOM 4857 H H    . LEU Axp A    307 ? 161.265 149.647 176.266 1   32.177  ? 341 A 1 c
ATOM 4858 H HA   . LEU Axp A    307 ? 163.124 147.78  177.176 1   33.238  ? 341 A 1 c
ATOM 4859 H HB3  . LEU Axp A    307 ? 162.391 146.341 175.713 1   32.061  ? 341 A 1 c
ATOM 4860 H HB2  . LEU Axp A    307 ? 162.243 147.429 174.566 1   32.094  ? 341 A 1 c
ATOM 4861 H HG   . LEU Axp A    307 ? 160.139 148.018 175.265 1   31.28   ? 341 A 1 c
ATOM 4862 H HD11 . LEU Axp A    307 ? 159.9   146.252 173.964 1   30.893  ? 341 A 1 c
ATOM 4863 H HD12 . LEU Axp A    307 ? 159.086 145.798 175.248 1   30.835  ? 341 A 1 c
ATOM 4864 H HD13 . LEU Axp A    307 ? 160.559 145.26  175.01  1   30.84   ? 341 A 1 c
ATOM 4865 H HD21 . LEU Axp A    307 ? 160.752 147.58  177.668 1   31.588  ? 341 A 1 c
ATOM 4866 H HD22 . LEU Axp A    307 ? 160.067 146.184 177.387 1   31.549  ? 341 A 1 c
ATOM 4867 H HD23 . LEU Axp A    307 ? 159.232 147.52  177.227 1   31.556  ? 341 A 1 c
ATOM 4868 N N    . LEU Axp A    308 ? 163.906 150.084 175.226 1   37.987  ? 342 A 1 .
ATOM 4869 C CA   . LEU Axp A    308 ? 164.938 150.585 174.34  1   39.947  ? 342 A 1 .
ATOM 4870 C C    . LEU Axp A    308 ? 165.79  151.64  175.025 1   42.242  ? 342 A 1 .
ATOM 4871 O O    . LEU Axp A    308 ? 166.755 152.102 174.42  1   44.186  ? 342 A 1 .
ATOM 4872 C CB   . LEU Axp A    308 ? 164.242 151.175 173.128 1   41.167  ? 342 A 1 .
ATOM 4873 C CG   . LEU Axp A    308 ? 163.366 150.193 172.364 1   42.332  ? 342 A 1 .
ATOM 4874 C CD1  . LEU Axp A    308 ? 162.475 151.005 171.445 1   43.08   ? 342 A 1 .
ATOM 4875 C CD2  . LEU Axp A    308 ? 164.263 149.211 171.64  1   43.845  ? 342 A 1 .
ATOM 4876 H H    . LEU Axp A    308 ? 163.235 150.638 175.504 1   37.879  ? 342 A 1 c
ATOM 4877 H HA   . LEU Axp A    308 ? 165.518 149.835 174.056 1   40.178  ? 342 A 1 c
ATOM 4878 H HB3  . LEU Axp A    308 ? 164.929 151.53  172.517 1   41.194  ? 342 A 1 c
ATOM 4879 H HB2  . LEU Axp A    308 ? 163.684 151.927 173.431 1   41.175  ? 342 A 1 c
ATOM 4880 H HG   . LEU Axp A    308 ? 162.798 149.699 173.009 1   42.5    ? 342 A 1 c
ATOM 4881 H HD11 . LEU Axp A    308 ? 162.12  151.771 171.926 1   42.704  ? 342 A 1 c
ATOM 4882 H HD12 . LEU Axp A    308 ? 161.74  150.451 171.133 1   42.821  ? 342 A 1 c
ATOM 4883 H HD13 . LEU Axp A    308 ? 162.992 151.315 170.682 1   42.821  ? 342 A 1 c
ATOM 4884 H HD21 . LEU Axp A    308 ? 164.414 148.433 172.204 1   43.386  ? 342 A 1 c
ATOM 4885 H HD22 . LEU Axp A    308 ? 165.115 149.633 171.437 1   43.361  ? 342 A 1 c
ATOM 4886 H HD23 . LEU Axp A    308 ? 163.838 148.933 170.813 1   43.393  ? 342 A 1 c
ATOM 4887 N N    . THR Axp A    309 ? 165.403 152.064 176.236 1   41.474  ? 343 A 1 .
ATOM 4888 C CA   . THR Axp A    309 ? 166.094 153.174 176.855 1   44.645  ? 343 A 1 .
ATOM 4889 C C    . THR Axp A    309 ? 166.34  152.914 178.315 1   49.515  ? 343 A 1 .
ATOM 4890 O O    . THR Axp A    309 ? 165.698 152.057 178.916 1   51.568  ? 343 A 1 .
ATOM 4891 C CB   . THR Axp A    309 ? 165.342 154.49  176.723 1   48.99   ? 343 A 1 .
ATOM 4892 O OG1  . THR Axp A    309 ? 163.996 154.134 176.408 1   47.846  ? 343 A 1 .
ATOM 4893 C CG2  . THR Axp A    309 ? 166.045 155.391 175.725 1   52.5    ? 343 A 1 .
ATOM 4894 H H    . THR Axp A    309 ? 164.716 151.658 176.681 1   42.298  ? 343 A 1 c
ATOM 4895 H HA   . THR Axp A    309 ? 166.965 153.274 176.413 1   45.858  ? 343 A 1 c
ATOM 4896 H HB   . THR Axp A    309 ? 165.343 154.961 177.589 1   48.687  ? 343 A 1 c
ATOM 4897 H HG1  . THR Axp A    309 ? 163.999 153.857 175.835 0   42.06   ? 343 A 1 c
ATOM 4898 H HG21 . THR Axp A    309 ? 165.515 156.193 175.582 1   51.417  ? 343 A 1 c
ATOM 4899 H HG22 . THR Axp A    309 ? 166.152 154.92  174.881 1   51.387  ? 343 A 1 c
ATOM 4900 H HG23 . THR Axp A    309 ? 166.92  155.638 176.069 1   51.387  ? 343 A 1 c
ATOM 4901 N N    . ASP Axp A    310 ? 167.242 153.766 178.818 1   58.941  ? 344 A 1 .
ATOM 4902 C CA   . ASP Axp A    310 ? 167.665 153.807 180.203 1   63.553  ? 344 A 1 .
ATOM 4903 C C    . ASP Axp A    310 ? 166.856 154.866 180.928 1   60.53   ? 344 A 1 .
ATOM 4904 O O    . ASP Axp A    310 ? 167.013 155.064 182.129 1   66.205  ? 344 A 1 .
ATOM 4905 C CB   . ASP Axp A    310 ? 169.152 154.083 180.279 1   69.439  ? 344 A 1 .
ATOM 4906 C CG   . ASP Axp A    310 ? 169.982 152.85  179.985 1   77.651  ? 344 A 1 .
ATOM 4907 O OD1  . ASP Axp A    310 ? 169.435 151.731 180.192 1   63.579  ? 344 A 1 .
ATOM 4908 O OD2  . ASP Axp A    310 ? 171.139 153.033 179.534 1   105.629 ? 344 A 1 .
ATOM 4909 H H    . ASP Axp A    310 ? 167.625 154.366 178.244 1   57.385  ? 344 A 1 c
ATOM 4910 H HA   . ASP Axp A    310 ? 167.477 152.934 180.615 1   63.011  ? 344 A 1 c
ATOM 4911 H HB3  . ASP Axp A    310 ? 169.381 154.402 181.177 1   69.735  ? 344 A 1 c
ATOM 4912 H HB2  . ASP Axp A    310 ? 169.39  154.783 179.635 1   69.713  ? 344 A 1 c
ATOM 4913 N N    . TYR Axp A    311 ? 165.931 155.467 180.186 1   51.413  ? 345 A 1 .
ATOM 4914 C CA   . TYR Axp A    311 ? 165.193 156.618 180.647 1   51.137  ? 345 A 1 .
ATOM 4915 C C    . TYR Axp A    311 ? 165.139 156.746 182.171 1   56.281  ? 345 A 1 .
ATOM 4916 O O    . TYR Axp A    311 ? 166.054 157.313 182.767 1   70.885  ? 345 A 1 .
ATOM 4917 C CB   . TYR Axp A    311 ? 163.819 156.52  180.009 1   49.771  ? 345 A 1 .
ATOM 4918 C CG   . TYR Axp A    311 ? 163.028 157.782 180.296 1   51.375  ? 345 A 1 .
ATOM 4919 C CD1  . TYR Axp A    311 ? 163.498 159.029 179.932 1   45.187  ? 345 A 1 .
ATOM 4920 C CD2  . TYR Axp A    311 ? 161.855 157.722 181.022 1   58.525  ? 345 A 1 .
ATOM 4921 C CE1  . TYR Axp A    311 ? 162.782 160.174 180.212 1   42.968  ? 345 A 1 .
ATOM 4922 C CE2  . TYR Axp A    311 ? 161.138 158.86  181.326 1   51.816  ? 345 A 1 .
ATOM 4923 C CZ   . TYR Axp A    311 ? 161.6   160.084 180.912 1   43.972  ? 345 A 1 .
ATOM 4924 O OH   . TYR Axp A    311 ? 160.834 161.147 181.249 1   41.756  ? 345 A 1 .
ATOM 4925 H H    . TYR Axp A    311 ? 165.744 155.139 179.357 1   53.372  ? 345 A 1 c
ATOM 4926 H HA   . TYR Axp A    311 ? 165.643 157.427 180.288 1   51.76   ? 345 A 1 c
ATOM 4927 H HB3  . TYR Axp A    311 ? 163.344 155.738 180.365 1   50.591  ? 345 A 1 c
ATOM 4928 H HB2  . TYR Axp A    311 ? 163.923 156.415 179.037 1   50.491  ? 345 A 1 c
ATOM 4929 H HD1  . TYR Axp A    311 ? 164.301 159.096 179.441 1   46.16   ? 345 A 1 c
ATOM 4930 H HD2  . TYR Axp A    311 ? 161.526 156.883 181.3   1   54.857  ? 345 A 1 c
ATOM 4931 H HE1  . TYR Axp A    311 ? 163.105 161.015 179.936 1   43.998  ? 345 A 1 c
ATOM 4932 H HE2  . TYR Axp A    311 ? 160.327 158.795 181.795 1   51.065  ? 345 A 1 c
ATOM 4933 H HH   . TYR Axp A    311 ? 161.383 161.908 181.128 0   43.56   ? 345 A 1 c
ATOM 4934 N N    . SER Axp A    312 ? 164.035 156.323 182.794 1   54.837  ? 346 A 1 .
ATOM 4935 C CA   . SER Axp A    312 ? 163.755 156.668 184.182 1   63.165  ? 346 A 1 .
ATOM 4936 C C    . SER Axp A    312 ? 162.748 157.818 184.293 1   61.043  ? 346 A 1 .
ATOM 4937 O O    . SER Axp A    312 ? 163.048 158.977 184.015 1   49.548  ? 346 A 1 .
ATOM 4938 C CB   . SER Axp A    312 ? 164.973 157.001 184.987 1   73.203  ? 346 A 1 .
ATOM 4939 O OG   . SER Axp A    312 ? 164.571 157.384 186.297 1   85.804  ? 346 A 1 .
ATOM 4940 H H    . SER Axp A    312 ? 163.449 155.777 182.355 1   56.784  ? 346 A 1 c
ATOM 4941 H HA   . SER Axp A    312 ? 163.348 155.872 184.597 1   63.082  ? 346 A 1 c
ATOM 4942 H HB3  . SER Axp A    312 ? 165.454 157.74  184.574 1   73.37   ? 346 A 1 c
ATOM 4943 H HB2  . SER Axp A    312 ? 165.561 156.223 185.035 1   73.395  ? 346 A 1 c
ATOM 4944 H HG   . SER Axp A    312 ? 165.529 157.709 186.781 0   63.76   ? 346 A 1 c
ATOM 4945 N N    . PRO Axp A    313 ? 161.519 157.506 184.75  1   68.546  ? 347 A 1 .
ATOM 4946 C CA   . PRO Axp A    313 ? 160.44  158.468 184.863 1   63.799  ? 347 A 1 .
ATOM 4947 C C    . PRO Axp A    313 ? 160.739 159.606 185.81  1   65.2    ? 347 A 1 .
ATOM 4948 O O    . PRO Axp A    313 ? 160.938 159.369 186.993 1   74.133  ? 347 A 1 .
ATOM 4949 C CB   . PRO Axp A    313 ? 159.303 157.647 185.455 1   68.253  ? 347 A 1 .
ATOM 4950 C CG   . PRO Axp A    313 ? 159.61  156.242 184.966 1   78.237  ? 347 A 1 .
ATOM 4951 C CD   . PRO Axp A    313 ? 161.086 156.152 185.125 1   83.43   ? 347 A 1 .
ATOM 4952 H HA   . PRO Axp A    313 ? 160.197 158.811 183.981 1   65.399  ? 347 A 1 c
ATOM 4953 H HB3  . PRO Axp A    313 ? 158.437 157.955 185.123 1   69.259  ? 347 A 1 c
ATOM 4954 H HB2  . PRO Axp A    313 ? 159.308 157.687 186.43  1   68.97   ? 347 A 1 c
ATOM 4955 H HG3  . PRO Axp A    313 ? 159.35  156.127 184.032 1   76.525  ? 347 A 1 c
ATOM 4956 H HG2  . PRO Axp A    313 ? 159.157 155.57  185.513 1   76.917  ? 347 A 1 c
ATOM 4957 H HD3  . PRO Axp A    313 ? 161.338 155.946 186.046 1   78.436  ? 347 A 1 c
ATOM 4958 H HD2  . PRO Axp A    313 ? 161.462 155.483 184.526 1   77.957  ? 347 A 1 c
ATOM 4959 N N    . GLN Axp A    314 ? 160.736 160.826 185.276 1   67.157  ? 348 A 1 .
ATOM 4960 C CA   . GLN Axp A    314 ? 160.647 162.012 186.103 1   67.48   ? 348 A 1 .
ATOM 4961 C C    . GLN Axp A    314 ? 159.192 162.14  186.512 1   61.929  ? 348 A 1 .
ATOM 4962 O O    . GLN Axp A    314 ? 158.317 161.831 185.723 1   68.981  ? 348 A 1 .
ATOM 4963 C CB   . GLN Axp A    314 ? 161.13  163.172 185.251 1   73.601  ? 348 A 1 .
ATOM 4964 C CG   . GLN Axp A    314 ? 160.967 164.541 185.882 1   83.793  ? 348 A 1 .
ATOM 4965 C CD   . GLN Axp A    314 ? 161.506 165.595 184.957 1   97.328  ? 348 A 1 .
ATOM 4966 O OE1  . GLN Axp A    314 ? 162.666 165.517 184.533 1   102.733 ? 348 A 1 .
ATOM 4967 N NE2  . GLN Axp A    314 ? 160.643 166.53  184.585 1   101.143 ? 348 A 1 .
ATOM 4968 H H    . GLN Axp A    314 ? 160.794 160.921 184.369 1   66.833  ? 348 A 1 c
ATOM 4969 H HA   . GLN Axp A    314 ? 161.219 161.899 186.905 1   67.404  ? 348 A 1 c
ATOM 4970 H HB3  . GLN Axp A    314 ? 160.639 163.159 184.402 1   74.378  ? 348 A 1 c
ATOM 4971 H HB2  . GLN Axp A    314 ? 162.077 163.03  185.045 1   74.563  ? 348 A 1 c
ATOM 4972 H HG3  . GLN Axp A    314 ? 161.451 164.573 186.735 1   84.212  ? 348 A 1 c
ATOM 4973 H HG2  . GLN Axp A    314 ? 160.018 164.715 186.061 1   84.191  ? 348 A 1 c
ATOM 4974 H HE21 . GLN Axp A    314 ? 160.525 166.706 183.724 1   99.953  ? 348 A 1 c
ATOM 4975 H HE22 . GLN Axp A    314 ? 160.186 166.98  185.199 1   99.953  ? 348 A 1 c
ATOM 4976 N N    . LEU Axp A    315 ? 158.921 162.503 187.755 1   59.716  ? 349 A 1 .
ATOM 4977 C CA   . LEU Axp A    315 ? 157.541 162.54  188.216 1   68.114  ? 349 A 1 .
ATOM 4978 C C    . LEU Axp A    315 ? 157.27  161.335 189.11  1   64.083  ? 349 A 1 .
ATOM 4979 O O    . LEU Axp A    315 ? 157.455 160.202 188.7   1   53.29   ? 349 A 1 .
ATOM 4980 C CB   . LEU Axp A    315 ? 156.515 162.601 187.085 1   64.832  ? 349 A 1 .
ATOM 4981 C CG   . LEU Axp A    315 ? 155.316 161.661 187.218 1   56.981  ? 349 A 1 .
ATOM 4982 C CD1  . LEU Axp A    315 ? 154.486 162.036 188.431 1   58.789  ? 349 A 1 .
ATOM 4983 C CD2  . LEU Axp A    315 ? 154.486 161.692 185.958 1   53.497  ? 349 A 1 .
ATOM 4984 H H    . LEU Axp A    315 ? 159.594 162.733 188.33  1   62.116  ? 349 A 1 c
ATOM 4985 H HA   . LEU Axp A    315 ? 157.44  163.355 188.769 1   65.115  ? 349 A 1 c
ATOM 4986 H HB3  . LEU Axp A    315 ? 156.961 162.413 186.232 1   63.534  ? 349 A 1 c
ATOM 4987 H HB2  . LEU Axp A    315 ? 156.176 163.524 187.032 1   63.64   ? 349 A 1 c
ATOM 4988 H HG   . LEU Axp A    315 ? 155.649 160.735 187.336 1   57.992  ? 349 A 1 c
ATOM 4989 H HD11 . LEU Axp A    315 ? 155.004 161.928 189.237 1   58.469  ? 349 A 1 c
ATOM 4990 H HD12 . LEU Axp A    315 ? 153.7   161.465 188.473 1   58.261  ? 349 A 1 c
ATOM 4991 H HD13 . LEU Axp A    315 ? 154.205 162.963 188.354 1   58.293  ? 349 A 1 c
ATOM 4992 H HD21 . LEU Axp A    315 ? 154.926 162.245 185.29  1   54.374  ? 349 A 1 c
ATOM 4993 H HD22 . LEU Axp A    315 ? 153.609 162.063 186.154 1   54.447  ? 349 A 1 c
ATOM 4994 H HD23 . LEU Axp A    315 ? 154.384 160.789 185.615 1   54.194  ? 349 A 1 c
ATOM 4995 N N    . GLN Axp A    316 ? 156.79  161.622 190.323 1   69.699  ? 350 A 1 .
ATOM 4996 C CA   . GLN Axp A    316 ? 156.575 160.603 191.324 1   71.709  ? 350 A 1 .
ATOM 4997 C C    . GLN Axp A    316 ? 155.591 159.584 190.774 1   64.51   ? 350 A 1 .
ATOM 4998 O O    . GLN Axp A    316 ? 154.571 159.934 190.192 1   52.124  ? 350 A 1 .
ATOM 4999 C CB   . GLN Axp A    316 ? 156.061 161.208 192.626 1   82.603  ? 350 A 1 .
ATOM 5000 C CG   . GLN Axp A    316 ? 154.967 162.25  192.438 1   95.804  ? 350 A 1 .
ATOM 5001 C CD   . GLN Axp A    316 ? 154.074 162.346 193.655 1   113.987 ? 350 A 1 .
ATOM 5002 O OE1  . GLN Axp A    316 ? 154.51  162.154 194.796 1   118.146 ? 350 A 1 .
ATOM 5003 N NE2  . GLN Axp A    316 ? 152.793 162.58  193.42  1   126.766 ? 350 A 1 .
ATOM 5004 H H    . GLN Axp A    316 ? 156.618 162.493 190.538 1   69.054  ? 350 A 1 c
ATOM 5005 H HA   . GLN Axp A    316 ? 157.44  160.153 191.5   1   71.696  ? 350 A 1 c
ATOM 5006 H HB3  . GLN Axp A    316 ? 156.815 161.622 193.097 1   82.769  ? 350 A 1 c
ATOM 5007 H HB2  . GLN Axp A    316 ? 155.719 160.485 193.192 1   82.926  ? 350 A 1 c
ATOM 5008 H HG3  . GLN Axp A    316 ? 154.423 162.019 191.656 1   95.695  ? 350 A 1 c
ATOM 5009 H HG2  . GLN Axp A    316 ? 155.375 163.126 192.273 1   96.046  ? 350 A 1 c
ATOM 5010 H HE21 . GLN Axp A    316 ? 152.417 163.325 193.719 1   122.687 ? 350 A 1 c
ATOM 5011 H HE22 . GLN Axp A    316 ? 152.313 161.99  192.964 1   122.687 ? 350 A 1 c
ATOM 5012 N N    . LYS Axp A    317 ? 155.933 158.314 190.98  1   66.831  ? 351 A 1 .
ATOM 5013 C CA   . LYS Axp A    317 ? 155.088 157.216 190.568 1   63.188  ? 351 A 1 .
ATOM 5014 C C    . LYS Axp A    317 ? 153.657 157.508 190.999 1   57.991  ? 351 A 1 .
ATOM 5015 O O    . LYS Axp A    317 ? 153.425 158.052 192.065 1   61.825  ? 351 A 1 .
ATOM 5016 C CB   . LYS Axp A    317 ? 155.654 155.939 191.189 1   73.15   ? 351 A 1 .
ATOM 5017 C CG   . LYS Axp A    317 ? 154.904 154.666 190.85  1   92.868  ? 351 A 1 .
ATOM 5018 C CD   . LYS Axp A    317 ? 155.61  153.373 191.268 1   102.681 ? 351 A 1 .
ATOM 5019 C CE   . LYS Axp A    317 ? 155.469 153.066 192.732 1   107.246 ? 351 A 1 .
ATOM 5020 N NZ   . LYS Axp A    317 ? 156.156 151.841 193.145 1   104.755 ? 351 A 1 .
ATOM 5021 H H    . LYS Axp A    317 ? 156.725 158.126 191.395 1   65.648  ? 351 A 1 c
ATOM 5022 H HA   . LYS Axp A    317 ? 155.124 157.147 189.59  1   64.045  ? 351 A 1 c
ATOM 5023 H HB3  . LYS Axp A    317 ? 155.66  156.043 192.164 1   74.745  ? 351 A 1 c
ATOM 5024 H HB2  . LYS Axp A    317 ? 156.584 155.836 190.896 1   74.639  ? 351 A 1 c
ATOM 5025 H HG3  . LYS Axp A    317 ? 154.754 154.645 189.88  1   89.583  ? 351 A 1 c
ATOM 5026 H HG2  . LYS Axp A    317 ? 154.026 154.7   191.285 1   89.431  ? 351 A 1 c
ATOM 5027 H HD3  . LYS Axp A    317 ? 156.565 153.446 191.049 1   101.192 ? 351 A 1 c
ATOM 5028 H HD2  . LYS Axp A    317 ? 155.239 152.626 190.748 1   101.355 ? 351 A 1 c
ATOM 5029 H HE3  . LYS Axp A    317 ? 154.523 152.98  192.947 1   105.595 ? 351 A 1 c
ATOM 5030 H HE2  . LYS Axp A    317 ? 155.824 153.812 193.248 1   105.595 ? 351 A 1 c
ATOM 5031 H HZ1  . LYS Axp A    317 ? 157.025 151.877 192.891 1   105.515 ? 351 A 1 c
ATOM 5032 H HZ2  . LYS Axp A    317 ? 155.762 151.123 192.758 1   105.515 ? 351 A 1 c
ATOM 5033 H HZ3  . LYS Axp A    317 ? 156.113 151.755 194.046 1   105.515 ? 351 A 1 c
ATOM 5034 N N    . PRO Axp A    318 ? 152.647 157.168 190.183 1   58.314  ? 352 A 1 .
ATOM 5035 C CA   . PRO Axp A    318 ? 151.259 157.268 190.602 1   60.57   ? 352 A 1 .
ATOM 5036 C C    . PRO Axp A    318 ? 150.913 156.257 191.683 1   62.261  ? 352 A 1 .
ATOM 5037 O O    . PRO Axp A    318 ? 151.609 155.269 191.866 1   56.76   ? 352 A 1 .
ATOM 5038 C CB   . PRO Axp A    318 ? 150.451 156.96  189.343 1   60.653  ? 352 A 1 .
ATOM 5039 C CG   . PRO Axp A    318 ? 151.467 157.024 188.221 1   63.198  ? 352 A 1 .
ATOM 5040 C CD   . PRO Axp A    318 ? 152.787 156.649 188.823 1   61.992  ? 352 A 1 .
ATOM 5041 H HA   . PRO Axp A    318 ? 151.069 158.176 190.916 1   60.522  ? 352 A 1 c
ATOM 5042 H HB3  . PRO Axp A    318 ? 149.746 157.623 189.213 1   61.203  ? 352 A 1 c
ATOM 5043 H HB2  . PRO Axp A    318 ? 150.046 156.073 189.395 1   61.209  ? 352 A 1 c
ATOM 5044 H HG3  . PRO Axp A    318 ? 151.508 157.927 187.846 1   62.338  ? 352 A 1 c
ATOM 5045 H HG2  . PRO Axp A    318 ? 151.23  156.401 187.507 1   62.338  ? 352 A 1 c
ATOM 5046 H HD3  . PRO Axp A    318 ? 152.922 155.682 188.826 1   61.474  ? 352 A 1 c
ATOM 5047 H HD2  . PRO Axp A    318 ? 153.522 157.082 188.356 1   61.087  ? 352 A 1 c
ATOM 5048 N N    . LYS Axp A    319 ? 149.833 156.532 192.407 1   74.408  ? 353 A 1 .
ATOM 5049 C CA   . LYS Axp A    319 ? 149.28  155.574 193.341 1   78.469  ? 353 A 1 .
ATOM 5050 C C    . LYS Axp A    319 ? 148.435 154.587 192.544 1   76.085  ? 353 A 1 .
ATOM 5051 O O    . LYS Axp A    319 ? 147.454 155.003 191.941 1   65.965  ? 353 A 1 .
ATOM 5052 C CB   . LYS Axp A    319 ? 148.439 156.327 194.377 1   82.895  ? 353 A 1 .
ATOM 5053 C CG   . LYS Axp A    319 ? 147.795 155.477 195.46  1   89.546  ? 353 A 1 .
ATOM 5054 C CD   . LYS Axp A    319 ? 146.625 156.163 196.158 1   96.136  ? 353 A 1 .
ATOM 5055 C CE   . LYS Axp A    319 ? 146.015 155.402 197.29  1   101.736 ? 353 A 1 .
ATOM 5056 N NZ   . LYS Axp A    319 ? 146.818 155.59  198.501 1   106.207 ? 353 A 1 .
ATOM 5057 H H    . LYS Axp A    319 ? 149.424 157.344 192.315 1   72.13   ? 353 A 1 c
ATOM 5058 H HA   . LYS Axp A    319 ? 150.022 155.094 193.791 1   77.676  ? 353 A 1 c
ATOM 5059 H HB3  . LYS Axp A    319 ? 147.729 156.812 193.905 1   83.224  ? 353 A 1 c
ATOM 5060 H HB2  . LYS Axp A    319 ? 149.011 156.995 194.812 1   83.314  ? 353 A 1 c
ATOM 5061 H HG3  . LYS Axp A    319 ? 148.478 155.251 196.128 1   89.484  ? 353 A 1 c
ATOM 5062 H HG2  . LYS Axp A    319 ? 147.479 154.64  195.058 1   89.353  ? 353 A 1 c
ATOM 5063 H HD3  . LYS Axp A    319 ? 145.929 156.342 195.49  1   95.874  ? 353 A 1 c
ATOM 5064 H HD2  . LYS Axp A    319 ? 146.933 157.033 196.494 1   95.967  ? 353 A 1 c
ATOM 5065 H HE3  . LYS Axp A    319 ? 145.979 154.454 197.071 1   101.454 ? 353 A 1 c
ATOM 5066 H HE2  . LYS Axp A    319 ? 145.108 155.719 197.453 1   101.454 ? 353 A 1 c
ATOM 5067 H HZ1  . LYS Axp A    319 ? 146.787 156.458 198.759 1   104.69  ? 353 A 1 c
ATOM 5068 H HZ2  . LYS Axp A    319 ? 147.679 155.357 198.341 1   104.555 ? 353 A 1 c
ATOM 5069 H HZ3  . LYS Axp A    319 ? 146.49  155.071 199.167 1   104.739 ? 353 A 1 c
ATOM 5070 N N    . PHE Axp A    320 ? 148.823 153.3   192.568 1   71.96   ? 354 A 1 .
ATOM 5071 C CA   . PHE Axp A    320 ? 148.084 152.227 191.918 1   69.588  ? 354 A 1 .
ATOM 5072 C C    . PHE Axp A    320 ? 147.271 151.415 192.934 1   76.078  ? 354 A 1 .
ATOM 5073 O O    . PHE Axp A    320 ? 147.326 151.747 194.129 1   88.962  ? 354 A 1 .
ATOM 5074 C CB   . PHE Axp A    320 ? 149.01  151.229 191.222 1   66.737  ? 354 A 1 .
ATOM 5075 C CG   . PHE Axp A    320 ? 149.796 151.863 190.097 1   54.587  ? 354 A 1 .
ATOM 5076 C CD1  . PHE Axp A    320 ? 149.118 152.312 188.981 1   50.558  ? 354 A 1 .
ATOM 5077 C CD2  . PHE Axp A    320 ? 151.177 152.002 190.159 1   48.092  ? 354 A 1 .
ATOM 5078 C CE1  . PHE Axp A    320 ? 149.805 152.921 187.957 1   52.121  ? 354 A 1 .
ATOM 5079 C CE2  . PHE Axp A    320 ? 151.861 152.592 189.117 1   48.152  ? 354 A 1 .
ATOM 5080 C CZ   . PHE Axp A    320 ? 151.175 153.047 188.02  1   50.713  ? 354 A 1 .
ATOM 5081 O OXT  . PHE Axp A    320 ? 146.626 150.428 192.495 1   80.019  ? 354 A 1 .
ATOM 5082 H H    . PHE Axp A    320 ? 149.592 153.085 193.014 1   72.456  ? 354 A 1 c
ATOM 5083 H HA   . PHE Axp A    320 ? 147.465 152.617 191.245 1   70.536  ? 354 A 1 c
ATOM 5084 H HB3  . PHE Axp A    320 ? 148.471 150.491 190.86  1   64.442  ? 354 A 1 c
ATOM 5085 H HB2  . PHE Axp A    320 ? 149.635 150.862 191.886 1   64.205  ? 354 A 1 c
ATOM 5086 H HD1  . PHE Axp A    320 ? 148.178 152.233 188.939 1   51.863  ? 354 A 1 c
ATOM 5087 H HD2  . PHE Axp A    320 ? 151.646 151.691 190.917 1   49.742  ? 354 A 1 c
ATOM 5088 H HE1  . PHE Axp A    320 ? 149.339 153.224 187.195 1   51.403  ? 354 A 1 c
ATOM 5089 H HE2  . PHE Axp A    320 ? 152.8   152.687 189.162 1   48.831  ? 354 A 1 c
ATOM 5090 H HZ   . PHE Axp A    320 ? 151.644 153.451 187.306 1   50.445  ? 354 A 1 c
ATOM 5091 N N    . NVA Ax1 NVA! .   ? 171.853 147.663 165.543 1   120.967 ? 900 A 1 .
ATOM 5092 C CA   . NVA Ax1 NVA! .   ? 171.048 148.912 165.456 1   104.197 ? 900 A 1 .
ATOM 5093 C C    . NVA Ax1 NVA! .   ? 170.693 149.116 163.973 1   95.555  ? 900 A 1 .
ATOM 5094 O O    . NVA Ax1 NVA! .   ? 171.129 150.141 163.412 1   85.049  ? 900 A 1 .
ATOM 5095 C CB   . NVA Ax1 NVA! .   ? 171.816 150.064 166.13  1   87.33   ? 900 A 1 .
ATOM 5096 C CG   . NVA Ax1 NVA! .   ? 170.968 151.258 166.553 1   79.46   ? 900 A 1 .
ATOM 5097 C CD   . NVA Ax1 NVA! .   ? 171.644 152.141 167.603 1   69.802  ? 900 A 1 .
ATOM 5098 O OXT  . NVA Ax1 NVA! .   ? 170     148.215 163.417 1   86.509  ? 900 A 1 .
ATOM 5099 H H    . NVA Ax1 NVA! .   ? 171.407 146.975 165.146 1   115.325 ? 900 A 1 c
ATOM 5100 H H2   . NVA Ax1 NVA! .   ? 172.005 147.45  166.416 1   115.261 ? 900 A 1 c
ATOM 5101 H H3   . NVA Ax1 NVA! .   ? 172.653 147.778 165.123 1   115.332 ? 900 A 1 c
ATOM 5102 H HA   . NVA Ax1 NVA! .   ? 170.21  148.766 165.954 1   102.019 ? 900 A 1 c
ATOM 5103 H HB3  . NVA Ax1 NVA! .   ? 172.509 150.379 165.513 1   88.931  ? 900 A 1 c
ATOM 5104 H HB2  . NVA Ax1 NVA! .   ? 172.266 149.71  166.926 1   88.982  ? 900 A 1 c
ATOM 5105 H HG3  . NVA Ax1 NVA! .   ? 170.118 150.933 166.917 1   78.644  ? 900 A 1 c
ATOM 5106 H HG2  . NVA Ax1 NVA! .   ? 170.764 151.805 165.763 1   78.791  ? 900 A 1 c
ATOM 5107 H HD3  . NVA Ax1 NVA! .   ? 171.088 152.919 167.781 1   72.508  ? 900 A 1 c
ATOM 5108 H HD2  . NVA Ax1 NVA! .   ? 172.512 152.433 167.273 1   72.508  ? 900 A 1 c
ATOM 5109 H HD1  . NVA Ax1 NVA! .   ? 171.765 151.635 168.425 1   72.508  ? 900 A 1 c



loop_
_struct_mon_prot_cis.pdbx_id
_struct_mon_prot_cis.pdbx_PDB_model_num
_struct_mon_prot_cis.label_asym_id
_struct_mon_prot_cis.label_seq_id
_struct_mon_prot_cis.label_comp_id
_struct_mon_prot_cis.auth_asym_id
_struct_mon_prot_cis.auth_seq_id
_struct_mon_prot_cis.pdbx_PDB_ins_code
_struct_mon_prot_cis.pdbx_label_asym_id_2
_struct_mon_prot_cis.pdbx_label_seq_id_2
_struct_mon_prot_cis.pdbx_label_comp_id_2
_struct_mon_prot_cis.pdbx_auth_asym_id_2
_struct_mon_prot_cis.pdbx_auth_seq_id_2
_struct_mon_prot_cis.pdbx_PDB_ins_code_2
_struct_mon_prot_cis.label_alt_id
_struct_mon_prot_cis.pdbx_omega_angle
1 1 Axp 270 LEU A 304 ? Axp 271 PRO A 305 ? . -0.00445098785

data_VAL
_chem_comp.id                     VAL
_chem_comp.group                  peptide

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

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

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

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

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

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

data_GLN
_chem_comp.id                     GLN
_chem_comp.group                  peptide

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

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

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

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

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

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

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

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

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

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

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

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

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

data_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_TRP
_chem_comp.id                     TRP
_chem_comp.group                  peptide

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

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

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

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

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

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

data_SER
_chem_comp.id                     SER
_chem_comp.group                  peptide

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

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

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

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

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

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

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

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

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

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

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

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

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

data_NVA
_chem_comp.id                     NVA
_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
NVA N   N NT3 1
NVA CA  C CH1 0
NVA CB  C CH2 0
NVA CG  C CH2 0
NVA CD  C CH3 0
NVA C   C C   0
NVA O   O O   0
NVA OXT O OC  -1
NVA H   H H   0
NVA H2  H H   0
NVA H3  H H   0
NVA HA  H H   0
NVA HB3 H H   0
NVA HB2 H H   0
NVA HG3 H H   0
NVA HG2 H H   0
NVA HD3 H H   0
NVA HD2 H H   0
NVA HD1 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
NVA N  CA  single n 1.488 0.01   1.488 0.01
NVA CA CB  single n 1.532 0.01   1.532 0.01
NVA CA C   single n 1.533 0.01   1.533 0.01
NVA CB CG  single n 1.525 0.01   1.525 0.01
NVA CG CD  single n 1.51  0.02   1.51  0.02
NVA C  O   double n 1.247 0.0187 1.247 0.0187
NVA C  OXT single n 1.247 0.0187 1.247 0.0187
NVA N  H   single n 0.911 0.02   1.036 0.016
NVA N  H2  single n 0.911 0.02   1.036 0.016
NVA N  H3  single n 0.911 0.02   1.036 0.016
NVA CA HA  single n 0.985 0.02   1.089 0.01
NVA CB HB3 single n 0.98  0.016  1.089 0.01
NVA CB HB2 single n 0.98  0.016  1.089 0.01
NVA CG HG3 single n 0.982 0.0155 1.089 0.01
NVA CG HG2 single n 0.982 0.0155 1.089 0.01
NVA CD HD3 single n 0.973 0.0157 1.089 0.01
NVA CD HD2 single n 0.973 0.0157 1.089 0.01
NVA CD HD1 single n 0.973 0.0157 1.089 0.01

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
NVA CA  N  H   110.062 1.93
NVA CA  N  H2  110.062 1.93
NVA CA  N  H3  110.062 1.93
NVA H   N  H2  109.028 2.41
NVA H   N  H3  109.028 2.41
NVA H2  N  H3  109.028 2.41
NVA N   CA CB  110.374 1.62
NVA N   CA C   109.241 1.5
NVA N   CA HA  108.487 1.5
NVA CB  CA C   111.037 2.4
NVA CB  CA HA  108.967 1.5
NVA C   CA HA  108.824 1.5
NVA CA  CB CG  115.203 1.5
NVA CA  CB HB3 108.549 1.5
NVA CA  CB HB2 108.549 1.5
NVA CG  CB HB3 108.575 1.5
NVA CG  CB HB2 108.575 1.5
NVA HB3 CB HB2 107.844 1.5
NVA CB  CG CD  111.714 1.5
NVA CB  CG HG3 109.266 1.5
NVA CB  CG HG2 109.266 1.5
NVA CD  CG HG3 108.918 1.5
NVA CD  CG HG2 108.918 1.5
NVA HG3 CG HG2 107.763 1.5
NVA CG  CD HD3 109.554 1.5
NVA CG  CD HD2 109.554 1.5
NVA CG  CD HD1 109.554 1.5
NVA HD3 CD HD2 109.38  1.5
NVA HD3 CD HD1 109.38  1.5
NVA HD2 CD HD1 109.38  1.5
NVA CA  C  O   117.124 1.5
NVA CA  C  OXT 117.124 1.5
NVA O   C  OXT 125.752 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
NVA chi1       N   CA CB CG -60 10 3
NVA chi2       CA  CB CG CD 180 10 3
NVA sp3_sp3_1  CB  CA N  H  180 10 3
NVA sp3_sp3_28 HD3 CD CG CB 180 10 3
NVA 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
NVA 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
NVA plan-1 C   0.02
NVA plan-1 CA  0.02
NVA plan-1 O   0.02
NVA plan-1 OXT 0.02

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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