data_2xle_qFit
_cell.length_a                    54.082
_cell.length_b                    54.082
_cell.length_c                    181.019
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 120.000
_cell.volume                      458522.114
_space_group.crystal_system       hexagonal
_space_group.IT_number            179
_space_group.name_H-M_alt         'P 65 2 2'
_space_group.name_Hall            ' P 65 2 (x,y,z+1/12)'
_symmetry.space_group_name_H-M    'P 65 2 2'
_symmetry.space_group_name_Hall   ' P 65 2 (x,y,z+1/12)'
_symmetry.Int_Tables_number       179
_reflns.B_iso_Wilson_estimate     9.54
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              37.00
_refine.ls_d_res_high             1.12
_refine.pdbx_ls_sigma_F           1.31
_refine.ls_percent_reflns_obs     93.83
_refine.ls_number_reflns_obs      57331
_refine.ls_number_reflns_R_work   55339
_refine.ls_number_reflns_R_free   1992
_refine.ls_R_factor_obs           0.1915
_refine.ls_R_factor_R_work        0.1910
_refine.ls_R_factor_R_free        0.2070
_refine.ls_percent_reflns_R_free  3.47
_refine.solvent_model_details     'FLAT BULK SOLVENT MODEL'
_refine.pdbx_solvent_vdw_probe_radii 1.1000
_refine.pdbx_solvent_shrinkage_radii 0.9000
_refine.overall_SU_ML             0.1110
_refine.pdbx_overall_phase_error  25.6334
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                14.15
_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE'
_exptl.method                     'X-RAY DIFFRACTION'
loop_
  _space_group_symop.id
  _space_group_symop.operation_xyz
   1 x,y,z
   2 x-y,x,z+5/6
   3 y,-x+y,z+1/6
   4 -y,x-y,z+2/3
   5 -x+y,-x,z+1/3
   6 x-y,-y,-z
   7 -x,-x+y,-z+1/3
   8 -x,-y,z+1/2
   9 y,x,-z+2/3
   10 -y,-x,-z+1/6
   11 -x+y,y,-z+1/2
   12 x,x-y,-z+5/6

loop_
  _software.pdbx_ordinal
  _software.name
  _software.version
  _software.type
  _software.contact_author
  _software.contact_author_email
  _software.location
  _software.classification
  _software.language
   1 Phenix 2.0_5824 program 'Paul D. Adams' pdadams@lbl.gov https://www.phenix-online.org/ refinement Python/C++

loop_
  _em_software.id
  _em_software.name
  _em_software.version
  _em_software.category
  _em_software.details
   1 Phenix 2.0_5824 'MODEL REFINEMENT' .

loop_
  _citation.id
  _citation.title
  _citation.journal_abbrev
  _citation.journal_volume
  _citation.page_first
  _citation.page_last
  _citation.year
  _citation.journal_id_ASTM
  _citation.journal_id_ISSN
  _citation.journal_id_CSD
  _citation.pdbx_database_id_PubMed
  _citation.pdbx_database_id_DOI
   1 'Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix' 'Acta Crystallogr., Sect. D: Biol. Crystallogr.' 75 861 877 2019 ABCRE6 0907-4449 0766 31588918 10.1107/S2059798319011471

loop_
  _citation_author.citation_id
  _citation_author.name
  _citation_author.ordinal
  _citation_author.identifier_ORCID
   1 'Liebschner, D.' 1 0000-0003-3921-3209
   1 'Afonine, P.V.' 2 0000-0002-5052-991X
   1 'Baker, M.L.' 3 ?
   1 'Bunkoczi, G.' 4 ?
   1 'Chen, V.B.' 5 0000-0003-2492-979X
   1 'Croll, T.I.' 6 ?
   1 'Hintze, B.' 7 0000-0002-4871-2096
   1 'Hung, L.W.' 8 0000-0001-6690-8458
   1 'Jain, S.' 9 ?
   1 'McCoy, A.J.' 10 ?
   1 'Moriarty, N.W.' 11 0000-0001-8857-9464
   1 'Oeffner, R.D.' 12 0000-0003-3107-2202
   1 'Poon, B.K.' 13 0000-0001-9633-6067
   1 'Prisant, M.G.' 14 ?
   1 'Read, R.J.' 15 0000-0001-8273-0047
   1 'Richardson, J.S.' 16 0000-0002-3311-2944
   1 'Richardson, D.C.' 17 ?
   1 'Sammito, M.D.' 18 0000-0002-8346-9247
   1 'Sobolev, O.V.' 19 0000-0002-0623-3214
   1 'Stockwell, D.H.' 20 ?
   1 'Terwilliger, T.C.' 21 0000-0001-6384-0320
   1 'Urzhumtsev, A.G.' 22 ?
   1 'Videau, L.L.' 23 ?
   1 'Williams, C.J.' 24 ?
   1 'Adams, P.D.' 25 0000-0001-9333-8219

loop_
  _refine_ls_restr.pdbx_refine_id
  _refine_ls_restr.type
  _refine_ls_restr.number
  _refine_ls_restr.dev_ideal
  _refine_ls_restr.weight
  _refine_ls_restr.pdbx_restraint_function
   'X-RAY DIFFRACTION' f_bond_d 1460 0.0305 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1998 2.1990 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 201 0.1382 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 259 0.0179 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 554 16.7920 ? ?

loop_
  _refine_ls_shell.pdbx_refine_id
  _refine_ls_shell.d_res_high
  _refine_ls_shell.d_res_low
  _refine_ls_shell.number_reflns_R_work
  _refine_ls_shell.R_factor_R_work
  _refine_ls_shell.percent_reflns_obs
  _refine_ls_shell.R_factor_R_free
  _refine_ls_shell.number_reflns_R_free
   'X-RAY DIFFRACTION' 2.70 37.00 4600 0.1752 99.73 0.1940 165
   'X-RAY DIFFRACTION' 2.15 2.70 4227 0.1729 96.99 0.1669 153
   'X-RAY DIFFRACTION' 1.87 2.15 4174 0.1782 98.03 0.2030 150
   'X-RAY DIFFRACTION' 1.70 1.87 4192 0.1886 99.00 0.2018 152
   'X-RAY DIFFRACTION' 1.58 1.70 4178 0.1869 99.13 0.1911 149
   'X-RAY DIFFRACTION' 1.49 1.58 4139 0.1945 99.08 0.2007 150
   'X-RAY DIFFRACTION' 1.41 1.49 4145 0.2050 99.17 0.2487 148
   'X-RAY DIFFRACTION' 1.35 1.41 4102 0.2190 99.39 0.2459 148
   'X-RAY DIFFRACTION' 1.30 1.35 4124 0.2263 99.00 0.2800 149
   'X-RAY DIFFRACTION' 1.25 1.30 4100 0.2356 98.84 0.2668 145
   'X-RAY DIFFRACTION' 1.22 1.25 3989 0.2393 96.34 0.2565 143
   'X-RAY DIFFRACTION' 1.18 1.22 3635 0.2383 88.51 0.2596 132
   'X-RAY DIFFRACTION' 1.15 1.18 3111 0.2401 75.09 0.2656 112
   'X-RAY DIFFRACTION' 1.12 1.15 2623 0.2480 63.96 0.2636 96

loop_
  _struct_asym.id
   A
   B
   C
   D
   E
   F
   G
   H
   I
   J

loop_
  _struct_conn.id
  _struct_conn.conn_type_id
  _struct_conn.ptnr1_auth_comp_id
  _struct_conn.ptnr1_auth_asym_id
  _struct_conn.ptnr1_auth_seq_id
  _struct_conn.ptnr1_auth_atom_id
  _struct_conn.ptnr1_label_comp_id
  _struct_conn.ptnr1_label_asym_id
  _struct_conn.ptnr1_label_seq_id
  _struct_conn.ptnr1_label_atom_id
  _struct_conn.ptnr1_role
  _struct_conn.ptnr2_auth_comp_id
  _struct_conn.ptnr2_auth_asym_id
  _struct_conn.ptnr2_auth_seq_id
  _struct_conn.ptnr2_auth_atom_id
  _struct_conn.ptnr2_label_comp_id
  _struct_conn.ptnr2_label_asym_id
  _struct_conn.ptnr2_label_seq_id
  _struct_conn.ptnr2_label_atom_id
  _struct_conn.ptnr2_role
  _struct_conn.details
   C00001 covale PHE A 2 N PHE A 1 N . PCA A 1 C PCA A 127 C . 'Bond created based on atom type and distance.'
   C00002 covale CYS A 116 SG CYS A 115 SG . HEC A 1128 CAB HEC B . CAB . 'Bond created based on atom type and distance.'
   C00003 covale CYS A 116 SG CYS A 115 SG . HEC A 1128 CAB HEC B . CAB . 'Bond created based on atom type and distance.'
   C00004 covale CYS A 119 SG CYS A 118 SG . HEC A 1128 CAC HEC B . CAC . 'Bond created based on atom type and distance.'
   C00005 covale HEC A 1128 FE HEC B . FE . NO A 1129 N NO C . N . 'Bond created based on atom type and distance.'

loop_
  _atom_type.symbol
  _atom_type.scat_dispersion_real
  _atom_type.scat_dispersion_imag
  _atom_type.scat_Cromer_Mann_a1
  _atom_type.scat_Cromer_Mann_a2
  _atom_type.scat_Cromer_Mann_a3
  _atom_type.scat_Cromer_Mann_a4
  _atom_type.scat_Cromer_Mann_b1
  _atom_type.scat_Cromer_Mann_b2
  _atom_type.scat_Cromer_Mann_b3
  _atom_type.scat_Cromer_Mann_b4
  _atom_type.scat_Cromer_Mann_c
  _atom_type.scat_source
  _atom_type.scat_dispersion_source
   C . . 3.54356 2.42580 . . 25.62398 1.50364 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   Fe . . 20.90327 4.99816 . . 2.55100 38.46870 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   H . . 0.51345 0.48472 . . 24.73122 6.32584 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   N . . 4.01032 2.96436 . . 19.97189 1.75589 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   O . . 4.49882 3.47563 . . 15.80542 1.70748 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   S . . 9.55732 6.39887 . . 1.23737 29.19336 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .

loop_
  _chem_comp.id
   ALA
   ARG
   ASN
   ASP
   CYS
   GLN
   GLU
   GLY
   HEC
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   NO
   PCA
   PHE
   PRO
   SER
   SO4
   THR
   TRP
   TYR
   VAL

loop_
  _atom_site.group_PDB
  _atom_site.id
  _atom_site.label_atom_id
  _atom_site.label_alt_id
  _atom_site.label_comp_id
  _atom_site.auth_asym_id
  _atom_site.auth_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.type_symbol
  _atom_site.pdbx_formal_charge
  _atom_site.label_asym_id
  _atom_site.label_entity_id
  _atom_site.label_seq_id
  _atom_site.auth_atom_id
  _atom_site.pdbx_PDB_model_num
   ATOM 1 N . PHE A 2 ? -3.47812 22.93611 27.40421 1.000 9.11218 N ? A ? 1 N 1
   ATOM 2 CA . PHE A 2 ? -2.13795 22.46502 27.06269 1.000 10.56900 C ? A ? 1 CA 1
   ATOM 3 C . PHE A 2 ? -1.77887 21.26235 27.91686 1.000 12.26521 C ? A ? 1 C 1
   ATOM 4 O . PHE A 2 ? -1.86174 21.31471 29.15851 1.000 12.90748 O ? A ? 1 O 1
   ATOM 5 HA . PHE A 2 ? -2.07582 22.18218 26.13692 1.000 12.68280 H ? A ? 1 HA 1
   ATOM 6 CB A PHE A 2 ? -1.20333 23.60773 27.27678 0.281 10.24397 C ? A ? 1 CB 1
   ATOM 7 CG A PHE A 2 ? -1.58608 24.84486 26.48516 0.281 9.35856 C ? A ? 1 CG 1
   ATOM 8 CD1 A PHE A 2 ? -1.91936 24.77323 25.11995 0.281 9.97318 C ? A ? 1 CD1 1
   ATOM 9 CD2 A PHE A 2 ? -1.59560 26.08401 27.13384 0.281 9.65875 C ? A ? 1 CD2 1
   ATOM 10 CE1 A PHE A 2 ? -2.27331 25.94297 24.40729 0.281 9.53565 C ? A ? 1 CE1 1
   ATOM 11 CE2 A PHE A 2 ? -1.95281 27.23992 26.46424 0.281 10.84283 C ? A ? 1 CE2 1
   ATOM 12 CZ A PHE A 2 ? -2.26575 27.17150 25.07359 0.281 10.08411 C ? A ? 1 CZ 1
   ATOM 13 HB2 A PHE A 2 ? -1.20414 23.84276 28.21788 0.281 12.29276 H ? A ? 1 HB2 1
   ATOM 14 HB3 A PHE A 2 ? -0.31207 23.34090 27.00224 0.281 12.29276 H ? A ? 1 HB3 1
   ATOM 15 HD1 A PHE A 2 ? -1.90688 23.95207 24.68355 0.281 11.96782 H ? A ? 1 HD1 1
   ATOM 16 HD2 A PHE A 2 ? -1.35742 26.13135 28.03158 0.281 11.59050 H ? A ? 1 HD2 1
   ATOM 17 HE1 A PHE A 2 ? -2.50759 25.89512 23.50855 0.281 11.44278 H ? A ? 1 HE1 1
   ATOM 18 HE2 A PHE A 2 ? -1.98870 28.05259 26.91499 0.281 13.01140 H ? A ? 1 HE2 1
   ATOM 19 HZ A PHE A 2 ? -2.46626 27.95060 24.60700 0.281 12.10094 H ? A ? 1 HZ 1
   ATOM 20 CB B PHE A 2 ? -1.17192 23.61696 27.28427 0.719 10.29952 C ? A ? 1 CB 1
   ATOM 21 CG B PHE A 2 ? -1.55733 24.84534 26.47633 0.719 9.37668 C ? A ? 1 CG 1
   ATOM 22 CD1 B PHE A 2 ? -1.63833 24.83941 25.12767 0.719 9.57278 C ? A ? 1 CD1 1
   ATOM 23 CD2 B PHE A 2 ? -1.85375 25.99491 27.10934 0.719 9.08080 C ? A ? 1 CD2 1
   ATOM 24 CE1 B PHE A 2 ? -2.04902 25.99939 24.40105 0.719 9.24158 C ? A ? 1 CE1 1
   ATOM 25 CE2 B PHE A 2 ? -2.25248 27.11626 26.38910 0.719 9.18467 C ? A ? 1 CE2 1
   ATOM 26 CZ B PHE A 2 ? -2.33743 27.06930 25.00150 0.719 10.01627 C ? A ? 1 CZ 1
   ATOM 27 HB2 B PHE A 2 ? -1.17390 23.85849 28.22372 0.719 12.35943 H ? A ? 1 HB2 1
   ATOM 28 HB3 B PHE A 2 ? -0.28156 23.34284 27.01408 0.719 12.35943 H ? A ? 1 HB3 1
   ATOM 29 HD1 B PHE A 2 ? -1.42218 24.06381 24.66224 0.719 11.48733 H ? A ? 1 HD1 1
   ATOM 30 HD2 B PHE A 2 ? -1.79158 26.04026 28.03615 0.719 10.89696 H ? A ? 1 HD2 1
   ATOM 31 HE1 B PHE A 2 ? -2.10417 25.96435 23.47335 0.719 11.08990 H ? A ? 1 HE1 1
   ATOM 32 HE2 B PHE A 2 ? -2.46369 27.90267 26.83838 0.719 11.02160 H ? A ? 1 HE2 1
   ATOM 33 HZ B PHE A 2 ? -2.60437 27.81988 24.52164 0.719 12.01952 H ? A ? 1 HZ 1
   ATOM 34 N . ALA A 3 ? -1.49115 20.14508 27.25897 1.000 13.00449 N ? A ? 2 N 1
   ATOM 35 CA . ALA A 3 ? -1.21224 18.87542 27.95780 1.000 13.21769 C ? A ? 2 CA 1
   ATOM 36 C . ALA A 3 ? 0.04324 19.02285 28.80552 1.000 14.34335 C ? A ? 2 C 1
   ATOM 37 O . ALA A 3 ? 0.14305 18.44308 29.90807 1.000 17.90083 O ? A ? 2 O 1
   ATOM 38 CB . ALA A 3 ? -1.09924 17.72068 26.98869 1.000 18.06069 C ? A ? 2 CB 1
   ATOM 39 H . ALA A 3 ? -1.44818 20.08414 26.40221 1.000 15.60539 H ? A ? 2 H 1
   ATOM 40 HA . ALA A 3 ? -1.95948 18.65792 28.53679 1.000 15.86122 H ? A ? 2 HA 1
   ATOM 41 HB1 . ALA A 3 ? -0.86988 16.91679 27.48068 1.000 21.67282 H ? A ? 2 HB1 1
   ATOM 42 HB2 . ALA A 3 ? -1.95026 17.60161 26.53871 1.000 21.67282 H ? A ? 2 HB2 1
   ATOM 43 HB3 . ALA A 3 ? -0.40676 17.91998 26.33934 1.000 21.67282 H ? A ? 2 HB3 1
   ATOM 44 N . LYS A 4 ? 1.07873 19.66016 28.22815 1.000 16.38760 N ? A ? 3 N 1
   ATOM 45 CA . LYS A 4 ? 2.38737 19.87583 28.82387 1.000 12.59184 C ? A ? 3 CA 1
   ATOM 46 C . LYS A 4 ? 2.81292 21.33541 28.66911 1.000 12.60979 C ? A ? 3 C 1
   ATOM 47 O . LYS A 4 ? 2.33670 22.02878 27.73506 1.000 11.91927 O ? A ? 3 O 1
   ATOM 48 H . LYS A 4 ? 1.03147 19.99469 27.43729 1.000 19.66512 H ? A ? 3 H 1
   ATOM 49 HA . LYS A 4 ? 2.34395 19.68501 29.77392 1.000 15.11020 H ? A ? 3 HA 1
   ATOM 50 CB A LYS A 4 ? 3.47895 18.93741 28.28419 0.341 16.19518 C ? A ? 3 CB 1
   ATOM 51 CG A LYS A 4 ? 3.72026 19.03496 26.84049 0.341 17.24685 C ? A ? 3 CG 1
   ATOM 52 CD A LYS A 4 ? 4.54308 17.79940 26.32251 0.341 23.55076 C ? A ? 3 CD 1
   ATOM 53 CE A LYS A 4 ? 4.83057 17.91698 24.84682 0.341 24.37840 C ? A ? 3 CE 1
   ATOM 54 NZ A LYS A 4 ? 5.63917 16.84123 24.26902 0.341 30.24858 N ? A ? 3 NZ 1
   ATOM 55 HB2 A LYS A 4 ? 4.31297 19.14593 28.73345 0.341 19.43421 H ? A ? 3 HB2 1
   ATOM 56 HB3 A LYS A 4 ? 3.21922 18.02246 28.47473 0.341 19.43421 H ? A ? 3 HB3 1
   ATOM 57 HG2 A LYS A 4 ? 2.87140 19.05694 26.37160 0.341 20.69622 H ? A ? 3 HG2 1
   ATOM 58 HG3 A LYS A 4 ? 4.22500 19.84129 26.65084 0.341 20.69622 H ? A ? 3 HG3 1
   ATOM 59 HD2 A LYS A 4 ? 5.38813 17.75293 26.79646 0.341 28.26091 H ? A ? 3 HD2 1
   ATOM 60 HD3 A LYS A 4 ? 4.03398 16.98731 26.47164 0.341 28.26091 H ? A ? 3 HD3 1
   ATOM 61 HE2 A LYS A 4 ? 3.98512 17.92753 24.37142 0.341 29.25408 H ? A ? 3 HE2 1
   ATOM 62 HE3 A LYS A 4 ? 5.30729 18.74788 24.69438 0.341 29.25408 H ? A ? 3 HE3 1
   ATOM 63 HZ1 A LYS A 4 ? 5.42442 16.72509 23.41316 0.341 36.29830 H ? A ? 3 HZ1 1
   ATOM 64 HZ2 A LYS A 4 ? 6.50338 17.04651 24.32468 0.341 36.29830 H ? A ? 3 HZ2 1
   ATOM 65 HZ3 A LYS A 4 ? 5.49388 16.08132 24.70895 0.341 36.29830 H ? A ? 3 HZ3 1
   ATOM 66 CB B LYS A 4 ? 3.43879 18.94955 28.16609 0.659 16.66261 C ? A ? 3 CB 1
   ATOM 67 CG B LYS A 4 ? 3.10555 17.45660 28.30215 0.659 18.05256 C ? A ? 3 CG 1
   ATOM 68 CD B LYS A 4 ? 4.19922 16.58257 27.71650 0.659 23.02992 C ? A ? 3 CD 1
   ATOM 69 CE B LYS A 4 ? 3.88806 15.11382 28.00598 0.659 23.80338 C ? A ? 3 CE 1
   ATOM 70 NZ B LYS A 4 ? 4.78734 14.23694 27.18327 0.659 32.81383 N ? A ? 3 NZ 1
   ATOM 71 HB2 B LYS A 4 ? 3.49177 19.15784 27.22020 0.659 19.99513 H ? A ? 3 HB2 1
   ATOM 72 HB3 B LYS A 4 ? 4.29869 19.10239 28.58813 0.659 19.99513 H ? A ? 3 HB3 1
   ATOM 73 HG2 B LYS A 4 ? 3.00856 17.23401 29.24126 0.659 21.66308 H ? A ? 3 HG2 1
   ATOM 74 HG3 B LYS A 4 ? 2.27976 17.26803 27.82949 0.659 21.66308 H ? A ? 3 HG3 1
   ATOM 75 HD2 B LYS A 4 ? 4.24320 16.71008 26.75592 0.659 27.63591 H ? A ? 3 HD2 1
   ATOM 76 HD3 B LYS A 4 ? 5.05189 16.80770 28.12043 0.659 27.63591 H ? A ? 3 HD3 1
   ATOM 77 HE2 B LYS A 4 ? 4.04034 14.92483 28.94513 0.659 28.56406 H ? A ? 3 HE2 1
   ATOM 78 HE3 B LYS A 4 ? 2.96598 14.92165 27.77416 0.659 28.56406 H ? A ? 3 HE3 1
   ATOM 79 HZ1 B LYS A 4 ? 4.60956 13.38028 27.34646 0.659 39.37660 H ? A ? 3 HZ1 1
   ATOM 80 HZ2 B LYS A 4 ? 4.66066 14.39832 26.31724 0.659 39.37660 H ? A ? 3 HZ2 1
   ATOM 81 HZ3 B LYS A 4 ? 5.63874 14.39890 27.38574 0.659 39.37660 H ? A ? 3 HZ3 1
   ATOM 82 N . PRO A 5 ? 3.76201 21.79831 29.45650 1.000 11.22959 N ? A ? 4 N 1
   ATOM 83 CA . PRO A 5 ? 4.29869 23.17880 29.27295 1.000 12.84578 C ? A ? 4 CA 1
   ATOM 84 C . PRO A 5 ? 4.75464 23.42219 27.88399 1.000 10.39213 C ? A ? 4 C 1
   ATOM 85 O . PRO A 5 ? 4.52056 24.54660 27.35268 1.000 11.17140 O ? A ? 4 O 1
   ATOM 86 CB . PRO A 5 ? 5.42004 23.32444 30.31692 1.000 13.06517 C ? A ? 4 CB 1
   ATOM 87 CG . PRO A 5 ? 5.14284 22.16049 31.23871 1.000 22.01854 C ? A ? 4 CG 1
   ATOM 88 CD . PRO A 5 ? 4.39407 21.12518 30.61433 1.000 13.63076 C ? A ? 4 CD 1
   ATOM 89 HA . PRO A 5 ? 3.61909 23.82660 29.51667 1.000 15.41494 H ? A ? 4 HA 1
   ATOM 90 HB2 . PRO A 5 ? 6.29097 23.24882 29.89661 1.000 15.67820 H ? A ? 4 HB2 1
   ATOM 91 HB3 . PRO A 5 ? 5.34798 24.17342 30.78052 1.000 15.67820 H ? A ? 4 HB3 1
   ATOM 92 HG2 . PRO A 5 ? 5.99578 21.80279 31.53104 1.000 26.42224 H ? A ? 4 HG2 1
   ATOM 93 HG3 . PRO A 5 ? 4.64526 22.49632 32.00064 1.000 26.42224 H ? A ? 4 HG3 1
   ATOM 94 HD2 . PRO A 5 ? 4.97790 20.40913 30.31884 1.000 16.35691 H ? A ? 4 HD2 1
   ATOM 95 HD3 . PRO A 5 ? 3.72040 20.77597 31.21858 1.000 16.35691 H ? A ? 4 HD3 1
   ATOM 96 N A GLU A 6 ? 5.38781 22.43398 27.23954 0.527 10.44961 N ? A ? 5 N 1
   ATOM 97 CA A GLU A 6 ? 5.88660 22.61454 25.86829 0.527 10.49747 C ? A ? 5 CA 1
   ATOM 98 C A GLU A 6 ? 4.78040 23.07788 24.93509 0.527 8.68598 C ? A ? 5 C 1
   ATOM 99 O A GLU A 6 ? 5.03105 23.86678 24.00906 0.527 9.80796 O ? A ? 5 O 1
   ATOM 100 CB A GLU A 6 ? 6.52700 21.32476 25.30905 0.527 11.94282 C ? A ? 5 CB 1
   ATOM 101 CG A GLU A 6 ? 7.94586 21.01297 25.88524 0.527 13.86278 C ? A ? 5 CG 1
   ATOM 102 CD A GLU A 6 ? 7.98970 20.36290 27.25378 0.527 14.30593 C ? A ? 5 CD 1
   ATOM 103 OE1 A GLU A 6 ? 6.96514 20.24727 27.98230 0.527 11.47147 O ? A ? 5 OE1 1
   ATOM 104 OE2 A GLU A 6 ? 9.14990 19.89468 27.52132 0.527 13.57489 O ? A ? 5 OE2 1
   ATOM 105 H A GLU A 6 ? 5.54114 21.65480 27.56964 0.527 12.53953 H ? A ? 5 H 1
   ATOM 106 HA A GLU A 6 ? 6.58134 23.29041 25.90611 0.527 12.59696 H ? A ? 5 HA 1
   ATOM 107 HB2 A GLU A 6 ? 5.95089 20.57434 25.52321 0.527 14.33138 H ? A ? 5 HB2 1
   ATOM 108 HB3 A GLU A 6 ? 6.61289 21.41308 24.34691 0.527 14.33138 H ? A ? 5 HB3 1
   ATOM 109 HG2 A GLU A 6 ? 8.39603 20.41245 25.27073 0.527 16.63534 H ? A ? 5 HG2 1
   ATOM 110 HG3 A GLU A 6 ? 8.43509 21.84794 25.95135 0.527 16.63534 H ? A ? 5 HG3 1
   ATOM 111 N B GLU A 6 ? 5.42885 22.47058 27.22380 0.473 10.47475 N ? A ? 5 N 1
   ATOM 112 CA B GLU A 6 ? 5.88034 22.67253 25.83705 0.473 10.37114 C ? A ? 5 CA 1
   ATOM 113 C B GLU A 6 ? 4.72536 23.01875 24.90662 0.473 8.93744 C ? A ? 5 C 1
   ATOM 114 O B GLU A 6 ? 4.92402 23.62412 23.83325 0.473 8.27378 O ? A ? 5 O 1
   ATOM 115 CB B GLU A 6 ? 6.56061 21.40775 25.30700 0.473 11.97292 C ? A ? 5 CB 1
   ATOM 116 CG B GLU A 6 ? 7.84920 21.07427 26.07031 0.473 13.96152 C ? A ? 5 CG 1
   ATOM 117 CD B GLU A 6 ? 7.74728 20.26830 27.40322 0.473 13.36679 C ? A ? 5 CD 1
   ATOM 118 OE1 B GLU A 6 ? 6.66302 20.04124 28.04286 0.473 10.62440 O ? A ? 5 OE1 1
   ATOM 119 OE2 B GLU A 6 ? 8.91091 19.79954 27.71852 0.473 14.70202 O ? A ? 5 OE2 1
   ATOM 120 H B GLU A 6 ? 5.63736 21.70345 27.55189 0.473 12.56970 H ? A ? 5 H 1
   ATOM 121 HA B GLU A 6 ? 6.51834 23.40318 25.84085 0.473 12.44537 H ? A ? 5 HA 1
   ATOM 122 HB2 B GLU A 6 ? 5.95220 20.65794 25.39936 0.473 14.36750 H ? A ? 5 HB2 1
   ATOM 123 HB3 B GLU A 6 ? 6.78782 21.53752 24.37296 0.473 14.36750 H ? A ? 5 HB3 1
   ATOM 124 HG2 B GLU A 6 ? 8.41349 20.55318 25.47791 0.473 16.75382 H ? A ? 5 HG2 1
   ATOM 125 HG3 B GLU A 6 ? 8.28421 21.91291 26.29021 0.473 16.75382 H ? A ? 5 HG3 1
   ATOM 126 N A ASP A 7 ? 3.55378 22.50888 25.08307 0.527 9.52072 N ? A ? 6 N 1
   ATOM 127 CA A ASP A 7 ? 2.43085 22.91466 24.24035 0.527 10.95848 C ? A ? 6 CA 1
   ATOM 128 C A ASP A 7 ? 2.08006 24.40410 24.45551 0.527 9.26469 C ? A ? 6 C 1
   ATOM 129 O A ASP A 7 ? 1.76428 25.11559 23.48492 0.527 8.04269 O ? A ? 6 O 1
   ATOM 130 CB A ASP A 7 ? 1.18194 22.02092 24.48048 0.527 12.04664 C ? A ? 6 CB 1
   ATOM 131 CG A ASP A 7 ? 1.41367 20.49530 24.19739 0.527 12.43249 C ? A ? 6 CG 1
   ATOM 132 OD1 A ASP A 7 ? 1.88421 20.20405 23.11062 0.527 13.93637 O ? A ? 6 OD1 1
   ATOM 133 OD2 A ASP A 7 ? 1.05012 19.64988 25.06516 0.527 15.84990 O ? A ? 6 OD2 1
   ATOM 134 H A ASP A 7 ? 3.36285 21.89797 25.65747 0.527 11.42486 H ? A ? 6 H 1
   ATOM 135 HA A ASP A 7 ? 2.69525 22.78820 23.31569 0.527 13.15017 H ? A ? 6 HA 1
   ATOM 136 HB2 A ASP A 7 ? 0.91142 22.10914 25.40781 0.527 14.45597 H ? A ? 6 HB2 1
   ATOM 137 HB3 A ASP A 7 ? 0.46835 22.32225 23.89663 0.527 14.45597 H ? A ? 6 HB3 1
   ATOM 138 N B ASP A 7 ? 3.49822 22.62944 25.26987 0.473 9.67763 N ? A ? 6 N 1
   ATOM 139 CA B ASP A 7 ? 2.37552 22.86866 24.37744 0.473 10.80428 C ? A ? 6 CA 1
   ATOM 140 C B ASP A 7 ? 1.90465 24.30166 24.47962 0.473 9.15247 C ? A ? 6 C 1
   ATOM 141 O B ASP A 7 ? 1.54002 24.92526 23.47098 0.473 8.01465 O ? A ? 6 O 1
   ATOM 142 CB B ASP A 7 ? 1.25953 21.90945 24.74242 0.473 12.24613 C ? A ? 6 CB 1
   ATOM 143 CG B ASP A 7 ? 1.67357 20.49717 24.50164 0.473 13.42411 C ? A ? 6 CG 1
   ATOM 144 OD1 B ASP A 7 ? 2.28189 20.21184 23.47010 0.473 14.92533 O ? A ? 6 OD1 1
   ATOM 145 OD2 B ASP A 7 ? 1.48394 19.71099 25.42348 0.473 12.73643 O ? A ? 6 OD2 1
   ATOM 146 H B ASP A 7 ? 3.30060 22.23604 26.00865 0.473 11.61315 H ? A ? 6 H 1
   ATOM 147 HA B ASP A 7 ? 2.63422 22.70729 23.45661 0.473 12.96513 H ? A ? 6 HA 1
   ATOM 148 HB2 B ASP A 7 ? 1.04077 22.01033 25.68203 0.473 14.69536 H ? A ? 6 HB2 1
   ATOM 149 HB3 B ASP A 7 ? 0.47939 22.09877 24.19797 0.473 14.69536 H ? A ? 6 HB3 1
   ATOM 150 N A ALA A 8 ? 2.13440 24.91044 25.68444 0.527 8.37957 N ? A ? 7 N 1
   ATOM 151 CA A ALA A 8 ? 1.88455 26.35875 25.89232 0.527 8.61991 C ? A ? 7 CA 1
   ATOM 152 C A ALA A 8 ? 2.97561 27.21548 25.24783 0.527 8.31074 C ? A ? 7 C 1
   ATOM 153 O A ALA A 8 ? 2.70833 28.29222 24.63454 0.527 7.07831 O ? A ? 7 O 1
   ATOM 154 CB A ALA A 8 ? 1.84002 26.65918 27.42470 0.527 7.89033 C ? A ? 7 CB 1
   ATOM 155 H A ALA A 8 ? 2.30688 24.46348 26.39864 0.527 10.05548 H ? A ? 7 H 1
   ATOM 156 HA A ALA A 8 ? 1.03266 26.58663 25.48829 0.527 10.34390 H ? A ? 7 HA 1
   ATOM 157 HB1 A ALA A 8 ? 1.69150 27.60869 27.55617 0.527 9.46839 H ? A ? 7 HB1 1
   ATOM 158 HB2 A ALA A 8 ? 1.11608 26.15261 27.82493 0.527 9.46839 H ? A ? 7 HB2 1
   ATOM 159 HB3 A ALA A 8 ? 2.68549 26.39846 27.82233 0.527 9.46839 H ? A ? 7 HB3 1
   ATOM 160 N B ALA A 8 ? 1.97807 24.84467 25.67558 0.473 8.23272 N ? A ? 7 N 1
   ATOM 161 CA B ALA A 8 ? 1.71339 26.26442 25.85918 0.473 8.89821 C ? A ? 7 CA 1
   ATOM 162 C B ALA A 8 ? 2.79312 27.13666 25.24239 0.473 7.53645 C ? A ? 7 C 1
   ATOM 163 O B ALA A 8 ? 2.48188 28.16766 24.61641 0.473 7.20742 O ? A ? 7 O 1
   ATOM 164 CB B ALA A 8 ? 1.60314 26.48976 27.36098 0.473 8.06943 C ? A ? 7 CB 1
   ATOM 165 H B ALA A 8 ? 2.17743 24.42144 26.39720 0.473 9.87927 H ? A ? 7 H 1
   ATOM 166 HA B ALA A 8 ? 0.88894 26.52269 25.41818 0.473 10.67785 H ? A ? 7 HA 1
   ATOM 167 HB1 B ALA A 8 ? 1.34568 27.41064 27.52408 0.473 9.68332 H ? A ? 7 HB1 1
   ATOM 168 HB2 B ALA A 8 ? 0.93187 25.88974 27.72191 0.473 9.68332 H ? A ? 7 HB2 1
   ATOM 169 HB3 B ALA A 8 ? 2.46327 26.30913 27.77141 0.473 9.68332 H ? A ? 7 HB3 1
   ATOM 170 N A VAL A 9 ? 4.21981 26.73360 25.29311 0.527 7.79696 N ? A ? 8 N 1
   ATOM 171 CA A VAL A 9 ? 5.32145 27.38198 24.56987 0.527 6.95365 C ? A ? 8 CA 1
   ATOM 172 C A VAL A 9 ? 5.02619 27.37819 23.07938 0.527 7.27995 C ? A ? 8 C 1
   ATOM 173 O A VAL A 9 ? 5.13131 28.41151 22.38326 0.527 7.32268 O ? A ? 8 O 1
   ATOM 174 CB A VAL A 9 ? 6.68624 26.72303 24.90508 0.527 7.51740 C ? A ? 8 CB 1
   ATOM 175 CG1 A VAL A 9 ? 7.76033 27.32074 24.07078 0.527 9.59228 C ? A ? 8 CG1 1
   ATOM 176 CG2 A VAL A 9 ? 7.00897 26.87141 26.39190 0.527 9.64331 C ? A ? 8 CG2 1
   ATOM 177 H A VAL A 9 ? 4.45516 26.03368 25.73392 0.527 9.35635 H ? A ? 8 H 1
   ATOM 178 HA A VAL A 9 ? 5.38400 28.30442 24.86328 0.527 8.34438 H ? A ? 8 HA 1
   ATOM 179 HB A VAL A 9 ? 6.63627 25.77478 24.70702 0.527 9.02088 H ? A ? 8 HB 1
   ATOM 180 HG11 A VAL A 9 ? 8.62151 27.02584 24.40588 0.527 11.51073 H ? A ? 8 HG11 1
   ATOM 181 HG12 A VAL A 9 ? 7.64555 27.03011 23.15248 0.527 11.51073 H ? A ? 8 HG12 1
   ATOM 182 HG13 A VAL A 9 ? 7.69889 28.28744 24.12192 0.527 11.51073 H ? A ? 8 HG13 1
   ATOM 183 HG21 A VAL A 9 ? 7.86421 26.45106 26.57290 0.527 11.57197 H ? A ? 8 HG21 1
   ATOM 184 HG22 A VAL A 9 ? 7.05064 27.81486 26.61339 0.527 11.57197 H ? A ? 8 HG22 1
   ATOM 185 HG23 A VAL A 9 ? 6.31206 26.44027 26.91088 0.527 11.57197 H ? A ? 8 HG23 1
   ATOM 186 N B VAL A 9 ? 4.07055 26.74555 25.33487 0.473 7.52460 N ? A ? 8 N 1
   ATOM 187 CA B VAL A 9 ? 5.17344 27.55049 24.76988 0.473 9.09007 C ? A ? 8 CA 1
   ATOM 188 C B VAL A 9 ? 5.01108 27.63675 23.25618 0.473 8.29199 C ? A ? 8 C 1
   ATOM 189 O B VAL A 9 ? 5.12481 28.72347 22.63043 0.473 7.28172 O ? A ? 8 O 1
   ATOM 190 CB B VAL A 9 ? 6.52889 26.91861 25.17220 0.473 8.31953 C ? A ? 8 CB 1
   ATOM 191 CG1 B VAL A 9 ? 7.69080 27.57947 24.44808 0.473 8.48655 C ? A ? 8 CG1 1
   ATOM 192 CG2 B VAL A 9 ? 6.76093 26.93536 26.66587 0.473 10.31128 C ? A ? 8 CG2 1
   ATOM 193 H B VAL A 9 ? 4.33015 26.02064 25.71790 0.473 9.02952 H ? A ? 8 H 1
   ATOM 194 HA B VAL A 9 ? 5.14443 28.45228 25.12603 0.473 10.90809 H ? A ? 8 HA 1
   ATOM 195 HB B VAL A 9 ? 6.48915 25.98830 24.90046 0.473 9.98344 H ? A ? 8 HB 1
   ATOM 196 HG11 B VAL A 9 ? 8.52265 27.28338 24.84963 0.473 10.18386 H ? A ? 8 HG11 1
   ATOM 197 HG12 B VAL A 9 ? 7.66595 27.32450 23.51252 0.473 10.18386 H ? A ? 8 HG12 1
   ATOM 198 HG13 B VAL A 9 ? 7.60788 28.54237 24.53082 0.473 10.18386 H ? A ? 8 HG13 1
   ATOM 199 HG21 B VAL A 9 ? 7.56045 26.42426 26.86701 0.473 12.37353 H ? A ? 8 HG21 1
   ATOM 200 HG22 B VAL A 9 ? 6.87318 27.85358 26.95774 0.473 12.37353 H ? A ? 8 HG22 1
   ATOM 201 HG23 B VAL A 9 ? 5.99461 26.53876 27.10898 0.473 12.37353 H ? A ? 8 HG23 1
   ATOM 202 N A LYS A 10 ? 4.68897 26.23907 22.52143 0.527 8.22869 N ? A ? 9 N 1
   ATOM 203 CA A LYS A 10 ? 4.42224 26.21609 21.09569 0.527 9.80405 C ? A ? 9 CA 1
   ATOM 204 C A LYS A 10 ? 3.27038 27.13558 20.67475 0.527 8.33788 C ? A ? 9 C 1
   ATOM 205 O A LYS A 10 ? 3.33283 27.79264 19.62082 0.527 6.98610 O ? A ? 9 O 1
   ATOM 206 CB A LYS A 10 ? 4.17023 24.78975 20.63123 0.527 9.55838 C ? A ? 9 CB 1
   ATOM 207 CG A LYS A 10 ? 4.14046 24.71505 19.15958 0.527 16.88778 C ? A ? 9 CG 1
   ATOM 208 CD A LYS A 10 ? 4.33712 23.29542 18.63579 0.527 17.35129 C ? A ? 9 CD 1
   ATOM 209 CE A LYS A 10 ? 4.41868 23.28062 17.12059 0.527 25.73913 C ? A ? 9 CE 1
   ATOM 210 NZ A LYS A 10 ? 4.47954 21.90614 16.53258 0.527 35.71793 N ? A ? 9 NZ 1
   ATOM 211 H A LYS A 10 ? 4.60851 25.48569 22.92831 0.527 9.87443 H ? A ? 9 H 1
   ATOM 212 HA A LYS A 10 ? 5.21599 26.55165 20.65042 0.527 11.76485 H ? A ? 9 HA 1
   ATOM 213 HB2 A LYS A 10 ? 4.88083 24.21432 20.95498 0.527 11.47006 H ? A ? 9 HB2 1
   ATOM 214 HB3 A LYS A 10 ? 3.31502 24.48514 20.97290 0.527 11.47006 H ? A ? 9 HB3 1
   ATOM 215 HG2 A LYS A 10 ? 3.28058 25.03421 18.84391 0.527 20.26534 H ? A ? 9 HG2 1
   ATOM 216 HG3 A LYS A 10 ? 4.85184 25.26798 18.80027 0.527 20.26534 H ? A ? 9 HG3 1
   ATOM 217 HD2 A LYS A 10 ? 5.16305 22.93143 18.99112 0.527 20.82155 H ? A ? 9 HD2 1
   ATOM 218 HD3 A LYS A 10 ? 3.58720 22.74375 18.90813 0.527 20.82155 H ? A ? 9 HD3 1
   ATOM 219 HE2 A LYS A 10 ? 3.63265 23.72098 16.76122 0.527 30.88695 H ? A ? 9 HE2 1
   ATOM 220 HE3 A LYS A 10 ? 5.21917 23.75483 16.84628 0.527 30.88695 H ? A ? 9 HE3 1
   ATOM 221 HZ1 A LYS A 10 ? 4.54020 21.95671 15.64609 0.527 42.86152 H ? A ? 9 HZ1 1
   ATOM 222 HZ2 A LYS A 10 ? 5.19024 21.47198 16.84643 0.527 42.86152 H ? A ? 9 HZ2 1
   ATOM 223 HZ3 A LYS A 10 ? 3.74530 21.45083 16.74634 0.527 42.86152 H ? A ? 9 HZ3 1
   ATOM 224 N B LYS A 10 ? 4.76910 26.48772 22.61966 0.473 7.04162 N ? A ? 9 N 1
   ATOM 225 CA B LYS A 10 ? 4.50146 26.42064 21.16949 0.473 8.97232 C ? A ? 9 CA 1
   ATOM 226 C B LYS A 10 ? 3.35705 27.33492 20.75596 0.473 7.35348 C ? A ? 9 C 1
   ATOM 227 O B LYS A 10 ? 3.46011 28.12336 19.77640 0.473 8.40072 O ? A ? 9 O 1
   ATOM 228 CB B LYS A 10 ? 4.17276 24.95511 20.75881 0.473 10.63203 C ? A ? 9 CB 1
   ATOM 229 CG B LYS A 10 ? 3.81432 24.63024 19.34049 0.473 12.67461 C ? A ? 9 CG 1
   ATOM 230 CD B LYS A 10 ? 3.79877 23.11315 18.97377 0.473 18.41778 C ? A ? 9 CD 1
   ATOM 231 CE B LYS A 10 ? 3.40398 22.80409 17.49299 0.473 18.15979 C ? A ? 9 CE 1
   ATOM 232 NZ B LYS A 10 ? 3.72493 21.37244 17.27862 0.473 26.11644 N ? A ? 9 NZ 1
   ATOM 233 H B LYS A 10 ? 4.75258 25.71865 23.00420 0.473 8.44995 H ? A ? 9 H 1
   ATOM 234 HA B LYS A 10 ? 5.30244 26.71050 20.70547 0.473 10.76679 H ? A ? 9 HA 1
   ATOM 235 HB2 B LYS A 10 ? 4.95271 24.41758 20.96774 0.473 12.75843 H ? A ? 9 HB2 1
   ATOM 236 HB3 B LYS A 10 ? 3.41870 24.66914 21.29780 0.473 12.75843 H ? A ? 9 HB3 1
   ATOM 237 HG2 B LYS A 10 ? 2.92572 24.97671 19.16378 0.473 15.20954 H ? A ? 9 HG2 1
   ATOM 238 HG3 B LYS A 10 ? 4.45976 25.05927 18.75718 0.473 15.20954 H ? A ? 9 HG3 1
   ATOM 239 HD2 B LYS A 10 ? 4.68639 22.75050 19.12045 0.473 22.10134 H ? A ? 9 HD2 1
   ATOM 240 HD3 B LYS A 10 ? 3.15781 22.66325 19.54619 0.473 22.10134 H ? A ? 9 HD3 1
   ATOM 241 HE2 B LYS A 10 ? 2.45562 22.95247 17.35341 0.473 21.79175 H ? A ? 9 HE2 1
   ATOM 242 HE3 B LYS A 10 ? 3.91918 23.35147 16.87994 0.473 21.79175 H ? A ? 9 HE3 1
   ATOM 243 HZ1 B LYS A 10 ? 3.59375 21.15552 16.42548 0.473 31.33973 H ? A ? 9 HZ1 1
   ATOM 244 HZ2 B LYS A 10 ? 4.57555 21.21639 17.48882 0.473 31.33973 H ? A ? 9 HZ2 1
   ATOM 245 HZ3 B LYS A 10 ? 3.20314 20.86370 17.78952 0.473 31.33973 H ? A ? 9 HZ3 1
   ATOM 246 N . TYR A 11 ? 2.21443 27.20013 21.49090 1.000 7.76947 N ? A ? 10 N 1
   ATOM 247 CA . TYR A 11 ? 1.08522 28.08288 21.18843 1.000 7.30098 C ? A ? 10 CA 1
   ATOM 248 C . TYR A 11 ? 1.47843 29.52864 21.26598 1.000 6.77300 C ? A ? 10 C 1
   ATOM 249 O . TYR A 11 ? 1.16092 30.28838 20.30691 1.000 7.39628 O ? A ? 10 O 1
   ATOM 250 CB . TYR A 11 ? -0.05089 27.75220 22.17041 1.000 7.40832 C ? A ? 10 CB 1
   ATOM 251 CG . TYR A 11 ? -1.27039 28.64765 21.97179 1.000 6.56088 C ? A ? 10 CG 1
   ATOM 252 CD1 . TYR A 11 ? -1.28968 29.89311 22.43734 1.000 7.12415 C ? A ? 10 CD1 1
   ATOM 253 CD2 . TYR A 11 ? -2.39869 28.17624 21.32626 1.000 7.38498 C ? A ? 10 CD2 1
   ATOM 254 CE1 . TYR A 11 ? -2.43050 30.72318 22.27323 1.000 6.67002 C ? A ? 10 CE1 1
   ATOM 255 CE2 . TYR A 11 ? -3.53718 28.97440 21.14835 1.000 6.52689 C ? A ? 10 CE2 1
   ATOM 256 CZ . TYR A 11 ? -3.53525 30.20474 21.59543 1.000 6.83086 C ? A ? 10 CZ 1
   ATOM 257 OH . TYR A 11 ? -4.60124 31.05427 21.41393 1.000 8.83793 O ? A ? 10 OH 1
   ATOM 258 HA . TYR A 11 ? 0.77501 27.93161 20.28190 1.000 8.76117 H ? A ? 10 HA 1
   ATOM 259 HB2 . TYR A 11 ? -0.32725 26.83198 22.03727 1.000 8.88998 H ? A ? 10 HB2 1
   ATOM 260 HB3 . TYR A 11 ? 0.26882 27.87458 23.07799 1.000 8.88998 H ? A ? 10 HB3 1
   ATOM 261 HD1 . TYR A 11 ? -0.54220 30.22691 22.87865 1.000 8.54898 H ? A ? 10 HD1 1
   ATOM 262 HD2 . TYR A 11 ? -2.40232 27.30500 21.00094 1.000 8.86198 H ? A ? 10 HD2 1
   ATOM 263 HE1 . TYR A 11 ? -2.44120 31.59041 22.60894 1.000 8.00402 H ? A ? 10 HE1 1
   ATOM 264 HE2 . TYR A 11 ? -4.28689 28.63306 20.71671 1.000 7.83227 H ? A ? 10 HE2 1
   ATOM 265 HH . TYR A 11 ? -4.44326 31.79511 21.77697 1.000 10.60552 H ? A ? 10 HH 1
   ATOM 266 H A TYR A 11 ? 2.12776 26.74860 22.21768 0.527 9.32336 H ? A ? 10 H 1
   ATOM 267 H B TYR A 11 ? 2.08990 26.63569 22.12769 0.473 9.32336 H ? A ? 10 H 1
   ATOM 268 N . ARG A 12 ? 2.10025 29.96786 22.34802 1.000 6.89662 N ? A ? 11 N 1
   ATOM 269 CA . ARG A 12 ? 2.37806 31.38410 22.44942 1.000 7.10196 C ? A ? 11 CA 1
   ATOM 270 C . ARG A 12 ? 3.36662 31.84248 21.38261 1.000 7.03033 C ? A ? 11 C 1
   ATOM 271 O . ARG A 12 ? 3.24373 32.97348 20.84857 1.000 7.28988 O ? A ? 11 O 1
   ATOM 272 CB . ARG A 12 ? 2.81213 31.80767 23.83630 1.000 6.73515 C ? A ? 11 CB 1
   ATOM 273 CG . ARG A 12 ? 4.17249 31.39171 24.31325 1.000 6.96833 C ? A ? 11 CG 1
   ATOM 274 CD . ARG A 12 ? 4.12545 31.24299 25.83437 1.000 7.15952 C ? A ? 11 CD 1
   ATOM 275 NE . ARG A 12 ? 5.46325 30.94221 26.36951 1.000 7.57586 N ? A ? 11 NE 1
   ATOM 276 CZ . ARG A 12 ? 5.65566 30.35963 27.55753 1.000 8.15307 C ? A ? 11 CZ 1
   ATOM 277 NH1 . ARG A 12 ? 4.64124 29.94708 28.28311 1.000 7.55387 N ? A ? 11 NH1 1
   ATOM 278 NH2 . ARG A 12 ? 6.92855 30.16560 27.99652 1.000 8.99685 N ? A ? 11 NH2 1
   ATOM 279 H . ARG A 12 ? 2.36070 29.48478 23.01014 1.000 8.27594 H ? A ? 11 H 1
   ATOM 280 HA . ARG A 12 ? 1.53795 31.84472 22.29795 1.000 8.52235 H ? A ? 11 HA 1
   ATOM 281 HB2 . ARG A 12 ? 2.79253 32.77697 23.86741 1.000 8.08218 H ? A ? 11 HB2 1
   ATOM 282 HB3 . ARG A 12 ? 2.17367 31.44246 24.46867 1.000 8.08218 H ? A ? 11 HB3 1
   ATOM 283 HG2 . ARG A 12 ? 4.41818 30.54060 23.91809 1.000 8.36200 H ? A ? 11 HG2 1
   ATOM 284 HG3 . ARG A 12 ? 4.82823 32.06737 24.08005 1.000 8.36200 H ? A ? 11 HG3 1
   ATOM 285 HD2 . ARG A 12 ? 3.81347 32.07114 26.23151 1.000 8.59142 H ? A ? 11 HD2 1
   ATOM 286 HD3 . ARG A 12 ? 3.52820 30.51610 26.07064 1.000 8.59142 H ? A ? 11 HD3 1
   ATOM 287 HE . ARG A 12 ? 6.15128 31.15030 25.89737 1.000 9.09103 H ? A ? 11 HE 1
   ATOM 288 HH11 . ARG A 12 ? 3.83715 30.04993 27.99593 1.000 9.06464 H ? A ? 11 HH11 1
   ATOM 289 HH12 . ARG A 12 ? 4.78122 29.57415 29.04530 1.000 9.06464 H ? A ? 11 HH12 1
   ATOM 290 HH21 . ARG A 12 ? 7.59340 30.41631 27.51204 1.000 10.79621 H ? A ? 11 HH21 1
   ATOM 291 HH22 . ARG A 12 ? 7.06839 29.79222 28.75851 1.000 10.79621 H ? A ? 11 HH22 1
   ATOM 292 N . GLN A 13 ? 4.39382 31.02457 21.06683 1.000 7.25765 N ? A ? 12 N 1
   ATOM 293 CA . GLN A 13 ? 5.31234 31.39594 19.99080 1.000 7.66356 C ? A ? 12 CA 1
   ATOM 294 C . GLN A 13 ? 4.58483 31.53985 18.66919 1.000 7.11789 C ? A ? 12 C 1
   ATOM 295 O . GLN A 13 ? 4.88600 32.48569 17.87635 1.000 7.62256 O ? A ? 12 O 1
   ATOM 296 H . GLN A 13 ? 4.56827 30.27577 21.45215 1.000 8.70918 H ? A ? 12 H 1
   ATOM 297 HA . GLN A 13 ? 5.71076 32.26417 20.15918 1.000 9.19627 H ? A ? 12 HA 1
   ATOM 298 CB A GLN A 13 ? 6.45312 30.37697 19.95380 0.759 8.23761 C ? A ? 12 CB 1
   ATOM 299 CG A GLN A 13 ? 7.30767 30.52526 21.18022 0.759 8.87056 C ? A ? 12 CG 1
   ATOM 300 CD A GLN A 13 ? 8.46663 29.50137 21.22658 0.759 9.55954 C ? A ? 12 CD 1
   ATOM 301 OE1 A GLN A 13 ? 8.43629 28.51174 20.51858 0.759 10.01506 O ? A ? 12 OE1 1
   ATOM 302 NE2 A GLN A 13 ? 9.41028 29.69853 22.09910 0.759 9.31273 N ? A ? 12 NE2 1
   ATOM 303 HB2 A GLN A 13 ? 6.08839 29.47838 19.93348 0.759 9.88513 H ? A ? 12 HB2 1
   ATOM 304 HB3 A GLN A 13 ? 7.00272 30.52975 19.16926 0.759 9.88513 H ? A ? 12 HB3 1
   ATOM 305 HG2 A GLN A 13 ? 7.69274 31.41548 21.19187 0.759 10.64468 H ? A ? 12 HG2 1
   ATOM 306 HG3 A GLN A 13 ? 6.75714 30.39160 21.96758 0.759 10.64468 H ? A ? 12 HG3 1
   ATOM 307 HE21 A GLN A 13 ? 9.37543 30.37901 22.62382 0.759 11.17528 H ? A ? 12 HE21 1
   ATOM 308 HE22 A GLN A 13 ? 10.06927 29.14845 22.15147 0.759 11.17528 H ? A ? 12 HE22 1
   ATOM 309 CB B GLN A 13 ? 6.44691 30.34760 19.88007 0.241 8.34027 C ? A ? 12 CB 1
   ATOM 310 CG B GLN A 13 ? 7.38038 30.37897 21.07764 0.241 8.86179 C ? A ? 12 CG 1
   ATOM 311 CD B GLN A 13 ? 8.70089 29.58556 20.90894 0.241 7.64093 C ? A ? 12 CD 1
   ATOM 312 OE1 B GLN A 13 ? 8.82982 28.75048 19.99753 0.241 9.46213 O ? A ? 12 OE1 1
   ATOM 313 NE2 B GLN A 13 ? 9.70127 29.87328 21.76744 0.241 7.90717 N ? A ? 12 NE2 1
   ATOM 314 HB2 B GLN A 13 ? 6.05597 29.46159 19.82476 0.241 10.00832 H ? A ? 12 HB2 1
   ATOM 315 HB3 B GLN A 13 ? 6.97043 30.52951 19.08399 0.241 10.00832 H ? A ? 12 HB3 1
   ATOM 316 HG2 B GLN A 13 ? 7.61862 31.30215 21.25616 0.241 10.63415 H ? A ? 12 HG2 1
   ATOM 317 HG3 B GLN A 13 ? 6.91299 30.00354 21.84020 0.241 10.63415 H ? A ? 12 HG3 1
   ATOM 318 HE21 B GLN A 13 ? 9.58894 30.47352 22.37299 0.241 9.48860 H ? A ? 12 HE21 1
   ATOM 319 HE22 B GLN A 13 ? 10.45122 29.45642 21.70907 0.241 9.48860 H ? A ? 12 HE22 1
   ATOM 320 N A SER A 14 ? 3.63136 30.65003 18.37142 0.407 7.25863 N ? A ? 13 N 1
   ATOM 321 CA A SER A 14 ? 2.85530 30.70483 17.13354 0.407 6.76672 C ? A ? 13 CA 1
   ATOM 322 C A SER A 14 ? 1.91002 31.87635 17.09084 0.407 6.89054 C ? A ? 13 C 1
   ATOM 323 O A SER A 14 ? 1.69183 32.43670 16.02124 0.407 4.91995 O ? A ? 13 O 1
   ATOM 324 CB A SER A 14 ? 2.12770 29.39339 16.86938 0.407 9.33631 C ? A ? 13 CB 1
   ATOM 325 OG A SER A 14 ? 2.84525 28.43262 16.12855 0.407 9.86410 O ? A ? 13 OG 1
   ATOM 326 H A SER A 14 ? 3.41112 29.99254 18.88014 0.407 8.71036 H ? A ? 13 H 1
   ATOM 327 HA A SER A 14 ? 3.48391 30.82200 16.40415 0.407 8.12006 H ? A ? 13 HA 1
   ATOM 328 HB2 A SER A 14 ? 1.90629 28.99990 17.72790 0.407 11.20357 H ? A ? 13 HB2 1
   ATOM 329 HB3 A SER A 14 ? 1.31615 29.59892 16.37944 0.407 11.20357 H ? A ? 13 HB3 1
   ATOM 330 HG A SER A 14 ? 2.38056 27.73978 16.03037 0.407 11.83692 H ? A ? 13 HG 1
   ATOM 331 N C SER A 14 ? 3.71662 30.62309 18.31799 0.593 6.93438 N ? A ? 13 N 1
   ATOM 332 CA C SER A 14 ? 2.93009 30.81063 17.13079 0.593 7.00625 C ? A ? 13 CA 1
   ATOM 333 C C SER A 14 ? 2.10125 32.07623 17.15471 0.593 6.55617 C ? A ? 13 C 1
   ATOM 334 O C SER A 14 ? 2.05274 32.82053 16.14376 0.593 6.60335 O ? A ? 13 O 1
   ATOM 335 CB C SER A 14 ? 2.08890 29.59495 16.93015 0.593 9.07713 C ? A ? 13 CB 1
   ATOM 336 OG C SER A 14 ? 2.82064 28.36901 16.95017 0.593 9.67310 O ? A ? 13 OG 1
   ATOM 337 H C SER A 14 ? 3.56580 29.89203 18.74508 0.593 8.32126 H ? A ? 13 H 1
   ATOM 338 HA C SER A 14 ? 3.52510 30.91602 16.37200 0.593 8.40750 H ? A ? 13 HA 1
   ATOM 339 HB2 C SER A 14 ? 1.42772 29.56420 17.63923 0.593 10.89256 H ? A ? 13 HB2 1
   ATOM 340 HB3 C SER A 14 ? 1.64868 29.67045 16.06910 0.593 10.89256 H ? A ? 13 HB3 1
   ATOM 341 HG C SER A 14 ? 2.29365 27.71869 16.87971 0.593 11.60772 H ? A ? 13 HG 1
   ATOM 342 N . ALA A 15 ? 1.32503 32.25856 18.24783 1.000 6.48328 N ? A ? 14 N 1
   ATOM 343 CA . ALA A 15 ? 0.48519 33.44269 18.32143 1.000 6.74758 C ? A ? 14 CA 1
   ATOM 344 C . ALA A 15 ? 1.26307 34.70631 18.16178 1.000 6.27613 C ? A ? 14 C 1
   ATOM 345 O . ALA A 15 ? 0.84600 35.62322 17.41489 1.000 7.20865 O ? A ? 14 O 1
   ATOM 346 CB . ALA A 15 ? -0.25396 33.41063 19.67176 1.000 8.42310 C ? A ? 14 CB 1
   ATOM 347 HA . ALA A 15 ? -0.15879 33.43327 17.59610 1.000 8.09709 H ? A ? 14 HA 1
   ATOM 348 HB1 . ALA A 15 ? -0.81732 34.19711 19.74215 1.000 10.10772 H ? A ? 14 HB1 1
   ATOM 349 HB2 . ALA A 15 ? -0.79828 32.60891 19.71487 1.000 10.10772 H ? A ? 14 HB2 1
   ATOM 350 HB3 . ALA A 15 ? 0.39893 33.40613 20.38913 1.000 10.10772 H ? A ? 14 HB3 1
   ATOM 351 H A ALA A 15 ? 1.40636 31.84170 18.99564 0.407 7.77994 H ? A ? 14 H 1
   ATOM 352 H C ALA A 15 ? 1.27830 31.72758 18.92272 0.593 7.77994 H ? A ? 14 H 1
   ATOM 353 N . LEU A 16 ? 2.45752 34.77834 18.75283 1.000 7.02380 N ? A ? 15 N 1
   ATOM 354 CA . LEU A 16 ? 3.28208 35.95590 18.64828 1.000 7.56165 C ? A ? 15 CA 1
   ATOM 355 C . LEU A 16 ? 3.86710 36.10252 17.23203 1.000 7.82560 C ? A ? 15 C 1
   ATOM 356 O . LEU A 16 ? 3.95593 37.23778 16.71388 1.000 8.15394 O ? A ? 15 O 1
   ATOM 357 CB . LEU A 16 ? 4.34066 35.86473 19.74126 1.000 6.33809 C ? A ? 15 CB 1
   ATOM 358 CG . LEU A 16 ? 3.82150 36.11427 21.14797 1.000 7.25362 C ? A ? 15 CG 1
   ATOM 359 CD1 . LEU A 16 ? 4.81090 35.53624 22.20882 1.000 7.55317 C ? A ? 15 CD1 1
   ATOM 360 CD2 . LEU A 16 ? 3.54920 37.54907 21.43487 1.000 8.40239 C ? A ? 15 CD2 1
   ATOM 361 H . LEU A 16 ? 2.80751 34.14823 19.22195 1.000 8.42856 H ? A ? 15 H 1
   ATOM 362 HA . LEU A 16 ? 2.77244 36.76820 18.79430 1.000 9.07398 H ? A ? 15 HA 1
   ATOM 363 HB2 . LEU A 16 ? 4.72475 34.97418 19.72424 1.000 7.60571 H ? A ? 15 HB2 1
   ATOM 364 HB3 . LEU A 16 ? 5.02727 36.52567 19.56067 1.000 7.60571 H ? A ? 15 HB3 1
   ATOM 365 HG . LEU A 16 ? 2.96932 35.65581 21.21515 1.000 8.70435 H ? A ? 15 HG 1
   ATOM 366 HD11 . LEU A 16 ? 4.63025 35.94976 23.06747 1.000 9.06380 H ? A ? 15 HD11 1
   ATOM 367 HD12 . LEU A 16 ? 4.68283 34.57670 22.27030 1.000 9.06380 H ? A ? 15 HD12 1
   ATOM 368 HD13 . LEU A 16 ? 5.71991 35.73158 21.93232 1.000 9.06380 H ? A ? 15 HD13 1
   ATOM 369 HD21 . LEU A 16 ? 3.20455 37.63068 22.33790 1.000 10.08287 H ? A ? 15 HD21 1
   ATOM 370 HD22 . LEU A 16 ? 4.37515 38.05048 21.34947 1.000 10.08287 H ? A ? 15 HD22 1
   ATOM 371 HD23 . LEU A 16 ? 2.89455 37.87939 20.79986 1.000 10.08287 H ? A ? 15 HD23 1
   ATOM 372 N . THR A 17 ? 4.20712 35.00686 16.56800 1.000 6.81947 N ? A ? 16 N 1
   ATOM 373 CA . THR A 17 ? 4.61869 35.04695 15.17649 1.000 7.22607 C ? A ? 16 CA 1
   ATOM 374 C . THR A 17 ? 3.47694 35.62895 14.31830 1.000 6.45015 C ? A ? 16 C 1
   ATOM 375 O . THR A 17 ? 3.73783 36.50113 13.42453 1.000 7.79335 O ? A ? 16 O 1
   ATOM 376 CB . THR A 17 ? 4.99345 33.64102 14.70527 1.000 8.92893 C ? A ? 16 CB 1
   ATOM 377 OG1 . THR A 17 ? 6.17743 33.16635 15.35187 1.000 10.29842 O ? A ? 16 OG1 1
   ATOM 378 CG2 . THR A 17 ? 5.28312 33.59777 13.22963 1.000 8.43563 C ? A ? 16 CG2 1
   ATOM 379 H . THR A 17 ? 4.20787 34.21595 16.90572 1.000 8.18336 H ? A ? 16 H 1
   ATOM 380 HA . THR A 17 ? 5.40427 35.60730 15.07769 1.000 8.67129 H ? A ? 16 HA 1
   ATOM 381 HB . THR A 17 ? 4.23309 33.07714 14.91692 1.000 10.71471 H ? A ? 16 HB 1
   ATOM 382 HG1 . THR A 17 ? 6.11508 33.27645 16.18229 1.000 12.35810 H ? A ? 16 HG1 1
   ATOM 383 HG21 . THR A 17 ? 5.74475 32.77445 13.00615 1.000 10.12276 H ? A ? 16 HG21 1
   ATOM 384 HG22 . THR A 17 ? 4.45432 33.64026 12.72745 1.000 10.12276 H ? A ? 16 HG22 1
   ATOM 385 HG23 . THR A 17 ? 5.84194 34.34999 12.97905 1.000 10.12276 H ? A ? 16 HG23 1
   ATOM 386 N . LEU A 18 ? 2.26064 35.15919 14.48267 1.000 7.07639 N ? A ? 17 N 1
   ATOM 387 CA . LEU A 18 ? 1.14982 35.67552 13.65911 1.000 7.27258 C ? A ? 17 CA 1
   ATOM 388 C . LEU A 18 ? 0.92722 37.11123 13.95385 1.000 6.63637 C ? A ? 17 C 1
   ATOM 389 O . LEU A 18 ? 0.63109 37.91426 12.99258 1.000 8.78885 O ? A ? 17 O 1
   ATOM 390 CB . LEU A 18 ? -0.12350 34.93153 13.91095 1.000 7.72206 C ? A ? 17 CB 1
   ATOM 391 CG . LEU A 18 ? 0.05110 33.58591 13.58342 1.000 12.76556 C ? A ? 17 CG 1
   ATOM 392 CD1 . LEU A 18 ? -1.26508 32.83008 13.94154 1.000 30.86287 C ? A ? 17 CD1 1
   ATOM 393 CD2 . LEU A 18 ? 0.28953 33.32093 11.93788 1.000 11.83314 C ? A ? 17 CD2 1
   ATOM 394 H . LEU A 18 ? 2.03797 34.55201 15.04955 1.000 8.49166 H ? A ? 17 H 1
   ATOM 395 HA . LEU A 18 ? 1.38896 35.54693 12.72789 1.000 8.72710 H ? A ? 17 HA 1
   ATOM 396 HB2 . LEU A 18 ? -0.36225 34.99875 14.84870 1.000 9.26647 H ? A ? 17 HB2 1
   ATOM 397 HB3 . LEU A 18 ? -0.83246 35.29988 13.36087 1.000 9.26647 H ? A ? 17 HB3 1
   ATOM 398 HG . LEU A 18 ? 0.83277 33.27300 14.06506 1.000 15.31868 H ? A ? 17 HG 1
   ATOM 399 HD11 . LEU A 18 ? -1.08703 31.87672 13.95898 1.000 37.03544 H ? A ? 17 HD11 1
   ATOM 400 HD12 . LEU A 18 ? -1.57164 33.12533 14.81317 1.000 37.03544 H ? A ? 17 HD12 1
   ATOM 401 HD13 . LEU A 18 ? -1.93620 33.02901 13.27002 1.000 37.03544 H ? A ? 17 HD13 1
   ATOM 402 HD21 . LEU A 18 ? 0.33633 32.36579 11.77534 1.000 14.19977 H ? A ? 17 HD21 1
   ATOM 403 HD22 . LEU A 18 ? -0.45306 33.70427 11.44543 1.000 14.19977 H ? A ? 17 HD22 1
   ATOM 404 HD23 . LEU A 18 ? 1.11948 33.74363 11.66694 1.000 14.19977 H ? A ? 17 HD23 1
   ATOM 405 N . MET A 19 ? 0.85052 37.44486 15.22244 1.000 8.76366 N ? A ? 18 N 1
   ATOM 406 CA . MET A 19 ? 0.57809 38.80075 15.63933 1.000 10.01196 C ? A ? 18 CA 1
   ATOM 407 C . MET A 19 ? 1.60523 39.71264 15.08083 1.000 11.24789 C ? A ? 18 C 1
   ATOM 408 O . MET A 19 ? 1.25198 40.75275 14.42233 1.000 11.37690 O ? A ? 18 O 1
   ATOM 409 CB . MET A 19 ? 0.72388 38.82732 17.15579 1.000 13.91937 C ? A ? 18 CB 1
   ATOM 410 CG . MET A 19 ? -0.00836 39.72789 17.95670 1.000 12.34260 C ? A ? 18 CG 1
   ATOM 411 SD . MET A 19 ? 0.40805 39.69015 19.63213 1.000 13.81699 S ? A ? 18 SD 1
   ATOM 412 CE . MET A 19 ? 1.84210 40.67788 19.80041 1.000 19.01019 C ? A ? 18 CE 1
   ATOM 413 H . MET A 19 ? 0.95402 36.89573 15.87615 1.000 10.51639 H ? A ? 18 H 1
   ATOM 414 HA . MET A 19 ? -0.30933 39.07366 15.35843 1.000 12.01436 H ? A ? 18 HA 1
   ATOM 415 HB2 . MET A 19 ? 0.48795 37.94242 17.47548 1.000 16.70325 H ? A ? 18 HB2 1
   ATOM 416 HB3 . MET A 19 ? 1.65765 39.01013 17.34432 1.000 16.70325 H ? A ? 18 HB3 1
   ATOM 417 HG2 . MET A 19 ? 0.15109 40.62902 17.63508 1.000 14.81112 H ? A ? 18 HG2 1
   ATOM 418 HG3 . MET A 19 ? -0.95113 39.51160 17.88385 1.000 14.81112 H ? A ? 18 HG3 1
   ATOM 419 HE1 . MET A 19 ? 2.13548 40.65380 20.72467 1.000 22.81222 H ? A ? 18 HE1 1
   ATOM 420 HE2 . MET A 19 ? 2.53766 40.32568 19.22330 1.000 22.81222 H ? A ? 18 HE2 1
   ATOM 421 HE3 . MET A 19 ? 1.62979 41.58908 19.54440 1.000 22.81222 H ? A ? 18 HE3 1
   ATOM 422 N . ALA A 20 ? 2.84756 39.28649 15.01663 1.000 11.00840 N ? A ? 19 N 1
   ATOM 423 CA . ALA A 20 ? 3.89427 40.06708 14.54319 1.000 10.99154 C ? A ? 19 CA 1
   ATOM 424 C . ALA A 20 ? 3.71639 40.29638 12.99852 1.000 12.04350 C ? A ? 19 C 1
   ATOM 425 O . ALA A 20 ? 4.19661 41.32343 12.46370 1.000 12.36749 O ? A ? 19 O 1
   ATOM 426 CB . ALA A 20 ? 5.24592 39.42936 14.85966 1.000 14.79904 C ? A ? 19 CB 1
   ATOM 427 H . ALA A 20 ? 3.09837 38.50101 15.26103 1.000 13.21008 H ? A ? 19 H 1
   ATOM 428 HA . ALA A 20 ? 3.89078 40.92514 14.99555 1.000 13.18985 H ? A ? 19 HA 1
   ATOM 429 HB1 . ALA A 20 ? 5.95153 39.99157 14.50337 1.000 17.75885 H ? A ? 19 HB1 1
   ATOM 430 HB2 . ALA A 20 ? 5.34019 39.35010 15.82181 1.000 17.75885 H ? A ? 19 HB2 1
   ATOM 431 HB3 . ALA A 20 ? 5.28430 38.55092 14.45006 1.000 17.75885 H ? A ? 19 HB3 1
   ATOM 432 N . SER A 21 ? 3.39346 39.23175 12.22315 1.000 8.94456 N ? A ? 20 N 1
   ATOM 433 CA . SER A 21 ? 3.20162 39.36777 10.78993 1.000 8.41492 C ? A ? 20 CA 1
   ATOM 434 C . SER A 21 ? 2.10352 40.39704 10.46907 1.000 8.42918 C ? A ? 20 C 1
   ATOM 435 O . SER A 21 ? 2.21905 41.23721 9.53224 1.000 8.27136 O ? A ? 20 O 1
   ATOM 436 CB . SER A 21 ? 2.90098 38.02996 10.16730 1.000 8.44069 C ? A ? 20 CB 1
   ATOM 437 OG . SER A 21 ? 2.62613 38.18527 8.79910 1.000 8.53079 O ? A ? 20 OG 1
   ATOM 438 H . SER A 21 ? 3.28377 38.43065 12.51607 1.000 10.73347 H ? A ? 20 H 1
   ATOM 439 HA . SER A 21 ? 4.02737 39.68723 10.39372 1.000 10.09790 H ? A ? 20 HA 1
   ATOM 440 HB2 . SER A 21 ? 3.67021 37.44872 10.27388 1.000 10.12882 H ? A ? 20 HB2 1
   ATOM 441 HB3 . SER A 21 ? 2.12798 37.64095 10.60552 1.000 10.12882 H ? A ? 20 HB3 1
   ATOM 442 HG . SER A 21 ? 2.39074 37.45001 8.46807 1.000 10.23694 H ? A ? 20 HG 1
   ATOM 443 N . HIS A 22 ? 0.98234 40.35598 11.20877 1.000 7.75912 N ? A ? 21 N 1
   ATOM 444 CA . HIS A 22 ? -0.10409 41.27852 10.99332 1.000 7.50656 C ? A ? 21 CA 1
   ATOM 445 C . HIS A 22 ? 0.27490 42.70335 11.34346 1.000 8.44060 C ? A ? 21 C 1
   ATOM 446 O . HIS A 22 ? -0.32579 43.65086 10.77029 1.000 9.31575 O ? A ? 21 O 1
   ATOM 447 CB . HIS A 22 ? -1.43187 40.73513 11.54090 1.000 8.32955 C ? A ? 21 CB 1
   ATOM 448 CG . HIS A 22 ? -1.99196 39.59007 10.79207 1.000 8.09115 C ? A ? 21 CG 1
   ATOM 449 ND1 . HIS A 22 ? -2.74859 39.85471 9.65581 1.000 8.14086 N ? A ? 21 ND1 1
   ATOM 450 CD2 . HIS A 22 ? -1.74309 38.25341 10.75604 1.000 8.00775 C ? A ? 21 CD2 1
   ATOM 451 CE1 . HIS A 22 ? -3.02475 38.68542 9.09658 1.000 7.82520 C ? A ? 21 CE1 1
   ATOM 452 NE2 . HIS A 22 ? -2.39865 37.70114 9.71974 1.000 8.21241 N ? A ? 21 NE2 1
   ATOM 453 H . HIS A 22 ? 0.83906 39.79336 11.84322 1.000 9.31095 H ? A ? 21 H 1
   ATOM 454 HA . HIS A 22 ? -0.31043 41.34407 10.04779 1.000 9.00787 H ? A ? 21 HA 1
   ATOM 455 HB2 . HIS A 22 ? -1.29117 40.44412 12.45546 1.000 9.99546 H ? A ? 21 HB2 1
   ATOM 456 HB3 . HIS A 22 ? -2.08909 41.44814 11.51701 1.000 9.99546 H ? A ? 21 HB3 1
   ATOM 457 HD2 . HIS A 22 ? -1.20252 37.79213 11.35597 1.000 9.60930 H ? A ? 21 HD2 1
   ATOM 458 HE1 . HIS A 22 ? -3.58483 38.57197 8.36286 1.000 9.39024 H ? A ? 21 HE1 1
   ATOM 459 HE2 . HIS A 22 ? -2.40877 36.86871 9.50395 1.000 9.85489 H ? A ? 21 HE2 1
   ATOM 460 N . PHE A 23 ? 1.14097 42.92677 12.36513 1.000 7.95985 N ? A ? 22 N 1
   ATOM 461 CA . PHE A 23 ? 1.61741 44.24505 12.68979 1.000 7.33746 C ? A ? 22 CA 1
   ATOM 462 C . PHE A 23 ? 2.62895 44.70516 11.65108 1.000 7.57312 C ? A ? 22 C 1
   ATOM 463 O . PHE A 23 ? 2.41073 45.74731 10.96476 1.000 8.68373 O ? A ? 22 O 1
   ATOM 464 H . PHE A 23 ? 1.45654 42.31100 12.87586 1.000 9.55182 H ? A ? 22 H 1
   ATOM 465 HA . PHE A 23 ? 0.92357 44.92194 12.65369 1.000 8.80495 H ? A ? 22 HA 1
   ATOM 466 CB A PHE A 23 ? 2.29262 44.25356 14.10642 0.451 7.71076 C ? A ? 22 CB 1
   ATOM 467 CG A PHE A 23 ? 3.04922 45.53901 14.47361 0.451 6.17535 C ? A ? 22 CG 1
   ATOM 468 CD1 A PHE A 23 ? 2.35095 46.59898 14.88322 0.451 5.85806 C ? A ? 22 CD1 1
   ATOM 469 CD2 A PHE A 23 ? 4.41360 45.67152 14.47143 0.451 8.30511 C ? A ? 22 CD2 1
   ATOM 470 CE1 A PHE A 23 ? 2.89947 47.81893 15.25601 0.451 6.33037 C ? A ? 22 CE1 1
   ATOM 471 CE2 A PHE A 23 ? 5.00532 46.88094 14.75487 0.451 10.27578 C ? A ? 22 CE2 1
   ATOM 472 CZ A PHE A 23 ? 4.24850 47.98029 15.17733 0.451 7.60895 C ? A ? 22 CZ 1
   ATOM 473 HB2 A PHE A 23 ? 1.60098 44.12556 14.77437 0.451 9.25291 H ? A ? 22 HB2 1
   ATOM 474 HB3 A PHE A 23 ? 2.92990 43.52327 14.14458 0.451 9.25291 H ? A ? 22 HB3 1
   ATOM 475 HD1 A PHE A 23 ? 1.42561 46.51452 14.92214 0.451 7.02967 H ? A ? 22 HD1 1
   ATOM 476 HD2 A PHE A 23 ? 4.94609 44.93456 14.27589 0.451 9.96613 H ? A ? 22 HD2 1
   ATOM 477 HE1 A PHE A 23 ? 2.35562 48.51215 15.55363 0.451 7.59645 H ? A ? 22 HE1 1
   ATOM 478 HE2 A PHE A 23 ? 5.92658 46.96987 14.66397 0.451 12.33094 H ? A ? 22 HE2 1
   ATOM 479 HZ A PHE A 23 ? 4.65187 48.78931 15.39570 0.451 9.13074 H ? A ? 22 HZ 1
   ATOM 480 CB B PHE A 23 ? 2.06092 44.24452 14.09733 0.549 6.86742 C ? A ? 22 CB 1
   ATOM 481 CG B PHE A 23 ? 2.47484 45.56872 14.53917 0.549 6.29629 C ? A ? 22 CG 1
   ATOM 482 CD1 B PHE A 23 ? 1.57965 46.57694 14.77287 0.549 7.73709 C ? A ? 22 CD1 1
   ATOM 483 CD2 B PHE A 23 ? 3.77266 45.85893 14.64442 0.549 6.72250 C ? A ? 22 CD2 1
   ATOM 484 CE1 B PHE A 23 ? 2.06728 47.85839 15.16880 0.549 6.88706 C ? A ? 22 CE1 1
   ATOM 485 CE2 B PHE A 23 ? 4.25272 47.04213 15.05113 0.549 8.71809 C ? A ? 22 CE2 1
   ATOM 486 CZ B PHE A 23 ? 3.42581 48.09214 15.29457 0.549 8.02502 C ? A ? 22 CZ 1
   ATOM 487 HB2 B PHE A 23 ? 1.32880 43.95121 14.66202 0.549 8.24090 H ? A ? 22 HB2 1
   ATOM 488 HB3 B PHE A 23 ? 2.81564 43.64281 14.19341 0.549 8.24090 H ? A ? 22 HB3 1
   ATOM 489 HD1 B PHE A 23 ? 0.66667 46.42922 14.67509 0.549 9.28451 H ? A ? 22 HD1 1
   ATOM 490 HD2 B PHE A 23 ? 4.38515 45.19586 14.42061 0.549 8.06699 H ? A ? 22 HD2 1
   ATOM 491 HE1 B PHE A 23 ? 1.46492 48.54484 15.34447 0.549 8.26447 H ? A ? 22 HE1 1
   ATOM 492 HE2 B PHE A 23 ? 5.16931 47.14642 15.16895 0.549 10.46171 H ? A ? 22 HE2 1
   ATOM 493 HZ B PHE A 23 ? 3.75652 48.92768 15.53415 0.549 9.63003 H ? A ? 22 HZ 1
   ATOM 494 N A GLY A 24 ? 3.66930 43.91233 11.42587 0.457 8.75554 N ? A ? 23 N 1
   ATOM 495 CA A GLY A 24 ? 4.78964 44.34502 10.62133 0.457 10.08289 C ? A ? 23 CA 1
   ATOM 496 C A GLY A 24 ? 4.41772 44.52562 9.15159 0.457 8.59450 C ? A ? 23 C 1
   ATOM 497 O A GLY A 24 ? 5.04409 45.34663 8.44971 0.457 10.93346 O ? A ? 23 O 1
   ATOM 498 H A GLY A 24 ? 3.74784 43.11255 11.73212 0.457 10.50665 H ? A ? 23 H 1
   ATOM 499 HA2 A GLY A 24 ? 5.11870 45.19248 10.95958 0.457 12.09947 H ? A ? 23 HA2 1
   ATOM 500 HA3 A GLY A 24 ? 5.49867 43.68552 10.67824 0.457 12.09947 H ? A ? 23 HA3 1
   ATOM 501 N B GLY A 24 ? 3.66462 43.90947 11.42104 0.543 8.74124 N ? A ? 23 N 1
   ATOM 502 CA B GLY A 24 ? 4.79101 44.34288 10.62593 0.543 10.07763 C ? A ? 23 CA 1
   ATOM 503 C B GLY A 24 ? 4.41749 44.52601 9.15548 0.543 8.57096 C ? A ? 23 C 1
   ATOM 504 O B GLY A 24 ? 5.04364 45.35332 8.45531 0.543 10.94596 O ? A ? 23 O 1
   ATOM 505 H B GLY A 24 ? 3.73698 43.10591 11.71879 0.543 10.48949 H ? A ? 23 H 1
   ATOM 506 HA2 B GLY A 24 ? 5.11990 45.18914 10.96737 0.543 12.09316 H ? A ? 23 HA2 1
   ATOM 507 HA3 B GLY A 24 ? 5.49917 43.68250 10.68339 0.543 12.09316 H ? A ? 23 HA3 1
   ATOM 508 N . ARG A 25 ? 3.43617 43.77848 8.63827 1.000 8.13900 N ? A ? 24 N 1
   ATOM 509 CA . ARG A 25 ? 3.07894 43.94253 7.20492 1.000 7.85181 C ? A ? 24 CA 1
   ATOM 510 C . ARG A 25 ? 2.54915 45.30401 6.92993 1.000 6.60753 C ? A ? 24 C 1
   ATOM 511 O . ARG A 25 ? 2.43920 45.64269 5.72015 1.000 8.39087 O ? A ? 24 O 1
   ATOM 512 CB . ARG A 25 ? 2.10188 42.86102 6.80837 1.000 8.67054 C ? A ? 24 CB 1
   ATOM 513 CG . ARG A 25 ? 0.67360 42.95873 7.32025 1.000 6.87399 C ? A ? 24 CG 1
   ATOM 514 CD . ARG A 25 ? -0.23816 41.87250 6.93134 1.000 8.49868 C ? A ? 24 CD 1
   ATOM 515 NE . ARG A 25 ? 0.26747 40.52216 7.28772 1.000 7.50955 N ? A ? 24 NE 1
   ATOM 516 CZ . ARG A 25 ? -0.21730 39.40442 6.80035 1.000 7.48974 C ? A ? 24 CZ 1
   ATOM 517 NH1 . ARG A 25 ? -1.20443 39.45407 5.90408 1.000 8.60838 N ? A ? 24 NH1 1
   ATOM 518 NH2 . ARG A 25 ? 0.34017 38.22927 7.07105 1.000 8.72105 N ? A ? 24 NH2 1
   ATOM 519 HA . ARG A 25 ? 3.85857 43.82579 6.63972 1.000 9.42217 H ? A ? 24 HA 1
   ATOM 520 HB2 . ARG A 25 ? 2.04881 42.85316 5.83985 1.000 10.40465 H ? A ? 24 HB2 1
   ATOM 521 HB3 . ARG A 25 ? 2.45325 42.01538 7.12825 1.000 10.40465 H ? A ? 24 HB3 1
   ATOM 522 HG2 . ARG A 25 ? 0.70047 42.97281 8.28977 1.000 8.24879 H ? A ? 24 HG2 1
   ATOM 523 HG3 . ARG A 25 ? 0.28910 43.78456 6.98699 1.000 8.24879 H ? A ? 24 HG3 1
   ATOM 524 HD2 . ARG A 25 ? -1.08796 41.99980 7.38138 1.000 10.19841 H ? A ? 24 HD2 1
   ATOM 525 HD3 . ARG A 25 ? -0.36477 41.89810 5.96997 1.000 10.19841 H ? A ? 24 HD3 1
   ATOM 526 HE . ARG A 25 ? 0.91789 40.46962 7.84789 1.000 9.01146 H ? A ? 24 HE 1
   ATOM 527 HH11 . ARG A 25 ? -1.51737 40.21398 5.65071 1.000 10.33006 H ? A ? 24 HH11 1
   ATOM 528 HH12 . ARG A 25 ? -1.52776 38.72615 5.57974 1.000 10.33006 H ? A ? 24 HH12 1
   ATOM 529 HH21 . ARG A 25 ? 1.03501 38.18913 7.57621 1.000 10.46526 H ? A ? 24 HH21 1
   ATOM 530 HH22 . ARG A 25 ? 0.00621 37.50871 6.74111 1.000 10.46526 H ? A ? 24 HH22 1
   ATOM 531 H A ARG A 25 ? 2.97690 43.19374 9.07041 0.457 9.76680 H ? A ? 24 H 1
   ATOM 532 H B ARG A 25 ? 2.97669 43.19278 9.06889 0.543 9.76680 H ? A ? 24 H 1
   ATOM 533 N . MET A 26 ? 2.19904 46.09206 7.93289 1.000 7.56612 N ? A ? 25 N 1
   ATOM 534 CA . MET A 26 ? 1.71308 47.45888 7.71460 1.000 8.36385 C ? A ? 25 CA 1
   ATOM 535 C . MET A 26 ? 2.79968 48.43967 7.64921 1.000 7.81500 C ? A ? 25 C 1
   ATOM 536 O . MET A 26 ? 2.54146 49.63037 7.27932 1.000 9.17955 O ? A ? 25 O 1
   ATOM 537 CB . MET A 26 ? 0.61909 47.84999 8.73348 1.000 8.30505 C ? A ? 25 CB 1
   ATOM 538 CG . MET A 26 ? -0.52995 46.97754 8.66628 1.000 8.45032 C ? A ? 25 CG 1
   ATOM 539 SD . MET A 26 ? -1.93609 47.52970 9.78881 1.000 8.68181 S ? A ? 25 SD 1
   ATOM 540 CE . MET A 26 ? -1.33782 46.86794 11.30954 1.000 8.91749 C ? A ? 25 CE 1
   ATOM 541 H . MET A 26 ? 2.23157 45.86261 8.76108 1.000 9.07934 H ? A ? 25 H 1
   ATOM 542 HA . MET A 26 ? 1.25067 47.49162 6.86255 1.000 10.03662 H ? A ? 25 HA 1
   ATOM 543 HB2 . MET A 26 ? 0.98659 47.79734 9.62962 1.000 9.96606 H ? A ? 25 HB2 1
   ATOM 544 HB3 . MET A 26 ? 0.32265 48.75500 8.54912 1.000 9.96606 H ? A ? 25 HB3 1
   ATOM 545 HG2 . MET A 26 ? -0.86235 46.96330 7.75512 1.000 10.14038 H ? A ? 25 HG2 1
   ATOM 546 HG3 . MET A 26 ? -0.26428 46.08463 8.93650 1.000 10.14038 H ? A ? 25 HG3 1
   ATOM 547 HE1 . MET A 26 ? -1.98620 47.04666 12.00851 1.000 10.70099 H ? A ? 25 HE1 1
   ATOM 548 HE2 . MET A 26 ? -1.21360 45.91105 11.21040 1.000 10.70099 H ? A ? 25 HE2 1
   ATOM 549 HE3 . MET A 26 ? -0.49219 47.29052 11.52687 1.000 10.70099 H ? A ? 25 HE3 1
   ATOM 550 N . THR A 27 ? 4.05062 48.10968 7.98046 1.000 8.31939 N ? A ? 26 N 1
   ATOM 551 CA . THR A 27 ? 5.10393 49.10326 7.97647 1.000 8.58694 C ? A ? 26 CA 1
   ATOM 552 C . THR A 27 ? 5.24505 49.84339 6.64476 1.000 8.27028 C ? A ? 26 C 1
   ATOM 553 O . THR A 27 ? 5.43059 51.04715 6.67183 1.000 9.33593 O ? A ? 26 O 1
   ATOM 554 CB . THR A 27 ? 6.46058 48.45143 8.36440 1.000 9.25758 C ? A ? 26 CB 1
   ATOM 555 OG1 . THR A 27 ? 6.37741 47.85900 9.64923 1.000 10.88977 O ? A ? 26 OG1 1
   ATOM 556 CG2 . THR A 27 ? 7.60274 49.42214 8.38144 1.000 16.03283 C ? A ? 26 CG2 1
   ATOM 557 H . THR A 27 ? 4.30604 47.32082 8.20864 1.000 9.98327 H ? A ? 26 H 1
   ATOM 558 HA . THR A 27 ? 4.87479 49.75566 8.65675 1.000 10.30433 H ? A ? 26 HA 1
   ATOM 559 HB . THR A 27 ? 6.64780 47.78376 7.68612 1.000 11.10909 H ? A ? 26 HB 1
   ATOM 560 HG1 . THR A 27 ? 5.82314 47.22791 9.63927 1.000 13.06772 H ? A ? 26 HG1 1
   ATOM 561 HG21 . THR A 27 ? 8.37947 49.01330 8.79428 1.000 19.23940 H ? A ? 26 HG21 1
   ATOM 562 HG22 . THR A 27 ? 7.82909 49.68404 7.47530 1.000 19.23940 H ? A ? 26 HG22 1
   ATOM 563 HG23 . THR A 27 ? 7.35800 50.21358 8.88603 1.000 19.23940 H ? A ? 26 HG23 1
   ATOM 564 N . PRO A 28 ? 5.17797 49.19205 5.47243 1.000 8.56866 N ? A ? 27 N 1
   ATOM 565 CA . PRO A 28 ? 5.31706 49.96830 4.22997 1.000 7.69688 C ? A ? 27 CA 1
   ATOM 566 C . PRO A 28 ? 4.21280 50.97325 4.08873 1.000 9.03501 C ? A ? 27 C 1
   ATOM 567 O . PRO A 28 ? 4.40954 52.03479 3.41111 1.000 9.01972 O ? A ? 27 O 1
   ATOM 568 CB . PRO A 28 ? 5.36665 48.90275 3.12716 1.000 9.73406 C ? A ? 27 CB 1
   ATOM 569 CG . PRO A 28 ? 5.87665 47.61596 3.81072 1.000 10.00163 C ? A ? 27 CG 1
   ATOM 570 CD . PRO A 28 ? 5.20779 47.71968 5.19860 1.000 8.79694 C ? A ? 27 CD 1
   ATOM 571 HA . PRO A 28 ? 6.16984 50.42878 4.18959 1.000 9.23625 H ? A ? 27 HA 1
   ATOM 572 HB2 . PRO A 28 ? 4.47837 48.76938 2.76099 1.000 11.68088 H ? A ? 27 HB2 1
   ATOM 573 HB3 . PRO A 28 ? 5.97531 49.18507 2.42665 1.000 11.68088 H ? A ? 27 HB3 1
   ATOM 574 HG2 . PRO A 28 ? 5.58129 46.82856 3.32734 1.000 12.00195 H ? A ? 27 HG2 1
   ATOM 575 HG3 . PRO A 28 ? 6.84438 47.62107 3.87683 1.000 12.00195 H ? A ? 27 HG3 1
   ATOM 576 HD2 . PRO A 28 ? 4.30854 47.35685 5.17418 1.000 10.55632 H ? A ? 27 HD2 1
   ATOM 577 HD3 . PRO A 28 ? 5.73432 47.25654 5.86880 1.000 10.55632 H ? A ? 27 HD3 1
   ATOM 578 N . VAL A 29 ? 3.00017 50.63965 4.50910 1.000 8.09558 N ? A ? 28 N 1
   ATOM 579 CA . VAL A 29 ? 1.87557 51.53915 4.42421 1.000 7.84418 C ? A ? 28 CA 1
   ATOM 580 C . VAL A 29 ? 2.05797 52.76183 5.29236 1.000 9.14552 C ? A ? 28 C 1
   ATOM 581 O . VAL A 29 ? 1.87711 53.92208 4.86465 1.000 8.62297 O ? A ? 28 O 1
   ATOM 582 CB . VAL A 29 ? 0.57757 50.79487 4.71247 1.000 8.89970 C ? A ? 28 CB 1
   ATOM 583 CG1 . VAL A 29 ? -0.60888 51.75240 4.71046 1.000 9.46058 C ? A ? 28 CG1 1
   ATOM 584 CG2 . VAL A 29 ? 0.32321 49.65919 3.68794 1.000 9.02672 C ? A ? 28 CG2 1
   ATOM 585 H . VAL A 29 ? 2.80253 49.87771 4.85549 1.000 9.71470 H ? A ? 28 H 1
   ATOM 586 HA . VAL A 29 ? 1.82914 51.87027 3.51366 1.000 9.41302 H ? A ? 28 HA 1
   ATOM 587 HB . VAL A 29 ? 0.66481 50.39524 5.59200 1.000 10.67964 H ? A ? 28 HB 1
   ATOM 588 HG11 . VAL A 29 ? -1.43037 51.23742 4.73972 1.000 11.35270 H ? A ? 28 HG11 1
   ATOM 589 HG12 . VAL A 29 ? -0.55144 52.32804 5.48908 1.000 11.35270 H ? A ? 28 HG12 1
   ATOM 590 HG13 . VAL A 29 ? -0.58209 52.28674 3.90135 1.000 11.35270 H ? A ? 28 HG13 1
   ATOM 591 HG21 . VAL A 29 ? -0.49004 49.19012 3.93186 1.000 10.83207 H ? A ? 28 HG21 1
   ATOM 592 HG22 . VAL A 29 ? 0.22898 50.04679 2.80375 1.000 10.83207 H ? A ? 28 HG22 1
   ATOM 593 HG23 . VAL A 29 ? 1.07528 49.04674 3.70218 1.000 10.83207 H ? A ? 28 HG23 1
   ATOM 594 N A VAL A 30 ? 2.32071 52.52312 6.59039 0.446 8.90881 N ? A ? 29 N 1
   ATOM 595 CA A VAL A 30 ? 2.44746 53.67799 7.47607 0.446 7.44772 C ? A ? 29 CA 1
   ATOM 596 C A VAL A 30 ? 3.55117 54.65809 7.01332 0.446 8.49882 C ? A ? 29 C 1
   ATOM 597 O A VAL A 30 ? 3.40630 55.87251 7.14693 0.446 11.41471 O ? A ? 29 O 1
   ATOM 598 CB A VAL A 30 ? 2.63384 53.24582 8.95478 0.446 11.17675 C ? A ? 29 CB 1
   ATOM 599 CG1 A VAL A 30 ? 1.29437 52.92483 9.52478 0.446 12.30763 C ? A ? 29 CG1 1
   ATOM 600 CG2 A VAL A 30 ? 3.54087 52.07854 9.17431 0.446 9.71313 C ? A ? 29 CG2 1
   ATOM 601 H A VAL A 30 ? 2.42229 51.75000 6.95311 0.446 10.69057 H ? A ? 29 H 1
   ATOM 602 HA A VAL A 30 ? 1.60703 54.15931 7.42221 0.446 8.93726 H ? A ? 29 HA 1
   ATOM 603 HB A VAL A 30 ? 3.06342 53.99133 9.40264 0.446 13.41210 H ? A ? 29 HB 1
   ATOM 604 HG11 A VAL A 30 ? 1.40010 52.66691 10.45387 0.446 14.76915 H ? A ? 29 HG11 1
   ATOM 605 HG12 A VAL A 30 ? 0.72801 53.70979 9.46179 0.446 14.76915 H ? A ? 29 HG12 1
   ATOM 606 HG13 A VAL A 30 ? 0.90371 52.19378 9.02095 0.446 14.76915 H ? A ? 29 HG13 1
   ATOM 607 HG21 A VAL A 30 ? 3.81708 52.06370 10.10403 0.446 11.65576 H ? A ? 29 HG21 1
   ATOM 608 HG22 A VAL A 30 ? 3.06326 51.26243 8.95807 0.446 11.65576 H ? A ? 29 HG22 1
   ATOM 609 HG23 A VAL A 30 ? 4.31726 52.16950 8.59999 0.446 11.65576 H ? A ? 29 HG23 1
   ATOM 610 N C VAL A 30 ? 2.51190 52.52574 6.55880 0.554 8.04491 N ? A ? 29 N 1
   ATOM 611 CA C VAL A 30 ? 2.75994 53.67043 7.41798 0.554 9.34782 C ? A ? 29 CA 1
   ATOM 612 C C VAL A 30 ? 3.97572 54.45378 6.96365 0.554 9.67791 C ? A ? 29 C 1
   ATOM 613 O C VAL A 30 ? 4.07141 55.65769 7.25140 0.554 11.58458 O ? A ? 29 O 1
   ATOM 614 CB C VAL A 30 ? 2.91257 53.29309 8.90637 0.554 11.11420 C ? A ? 29 CB 1
   ATOM 615 CG1 C VAL A 30 ? 1.94506 52.41064 9.38605 0.554 8.77313 C ? A ? 29 CG1 1
   ATOM 616 CG2 C VAL A 30 ? 4.22305 52.70684 9.22304 0.554 16.66363 C ? A ? 29 CG2 1
   ATOM 617 H C VAL A 30 ? 2.66787 51.75331 6.90322 0.554 9.65390 H ? A ? 29 H 1
   ATOM 618 HA C VAL A 30 ? 1.96650 54.22254 7.33721 0.554 11.21739 H ? A ? 29 HA 1
   ATOM 619 HB C VAL A 30 ? 2.80598 54.14694 9.35411 0.554 13.33704 H ? A ? 29 HB 1
   ATOM 620 HG11 C VAL A 30 ? 2.05994 52.30606 10.34353 0.554 10.52776 H ? A ? 29 HG11 1
   ATOM 621 HG12 C VAL A 30 ? 1.06544 52.77267 9.19603 0.554 10.52776 H ? A ? 29 HG12 1
   ATOM 622 HG13 C VAL A 30 ? 2.05252 51.55369 8.94446 0.554 10.52776 H ? A ? 29 HG13 1
   ATOM 623 HG21 C VAL A 30 ? 4.21428 52.39062 10.14001 0.554 19.99636 H ? A ? 29 HG21 1
   ATOM 624 HG22 C VAL A 30 ? 4.39202 51.96655 8.61946 0.554 19.99636 H ? A ? 29 HG22 1
   ATOM 625 HG23 C VAL A 30 ? 4.90737 53.38557 9.11374 0.554 19.99636 H ? A ? 29 HG23 1
   ATOM 626 N A LYS A 31 ? 4.62223 54.17941 6.32925 0.446 8.39525 N ? A ? 30 N 1
   ATOM 627 CA A LYS A 31 ? 5.73648 54.99952 5.82610 0.446 8.22840 C ? A ? 30 CA 1
   ATOM 628 C A LYS A 31 ? 5.47502 55.58853 4.45092 0.446 10.32047 C ? A ? 30 C 1
   ATOM 629 O A LYS A 31 ? 6.23380 56.41711 3.94291 0.446 12.61956 O ? A ? 30 O 1
   ATOM 630 CB A LYS A 31 ? 6.98298 54.12995 5.66318 0.446 10.61984 C ? A ? 30 CB 1
   ATOM 631 CG A LYS A 31 ? 7.59760 53.68798 7.03284 0.446 12.59129 C ? A ? 30 CG 1
   ATOM 632 CD A LYS A 31 ? 8.93454 52.92823 6.92208 0.446 17.61049 C ? A ? 30 CD 1
   ATOM 633 CE A LYS A 31 ? 9.64986 52.73065 8.27132 0.446 20.12007 C ? A ? 30 CE 1
   ATOM 634 NZ A LYS A 31 ? 11.07954 52.23544 8.13797 0.446 25.53298 N ? A ? 30 NZ 1
   ATOM 635 H A LYS A 31 ? 4.72381 53.34670 6.13984 0.446 10.07430 H ? A ? 30 H 1
   ATOM 636 HA A LYS A 31 ? 5.88531 55.70853 6.47112 0.446 9.87409 H ? A ? 30 HA 1
   ATOM 637 HB2 A LYS A 31 ? 6.74701 53.32996 5.16795 0.446 12.74381 H ? A ? 30 HB2 1
   ATOM 638 HB3 A LYS A 31 ? 7.65726 54.63254 5.17981 0.446 12.74381 H ? A ? 30 HB3 1
   ATOM 639 HG2 A LYS A 31 ? 7.75589 54.47959 7.57060 0.446 15.10955 H ? A ? 30 HG2 1
   ATOM 640 HG3 A LYS A 31 ? 6.96637 53.10336 7.48080 0.446 15.10955 H ? A ? 30 HG3 1
   ATOM 641 HD2 A LYS A 31 ? 8.76489 52.05012 6.54653 0.446 21.13259 H ? A ? 30 HD2 1
   ATOM 642 HD3 A LYS A 31 ? 9.53070 53.42751 6.34224 0.446 21.13259 H ? A ? 30 HD3 1
   ATOM 643 HE2 A LYS A 31 ? 9.67354 53.57964 8.73989 0.446 24.14409 H ? A ? 30 HE2 1
   ATOM 644 HE3 A LYS A 31 ? 9.15815 52.07732 8.79314 0.446 24.14409 H ? A ? 30 HE3 1
   ATOM 645 HZ1 A LYS A 31 ? 11.44047 52.12671 8.94420 0.446 30.63958 H ? A ? 30 HZ1 1
   ATOM 646 HZ2 A LYS A 31 ? 11.09295 51.45629 7.70804 0.446 30.63958 H ? A ? 30 HZ2 1
   ATOM 647 HZ3 A LYS A 31 ? 11.56476 52.82560 7.68149 0.446 30.63958 H ? A ? 30 HZ3 1
   ATOM 648 N C LYS A 31 ? 4.96031 53.82133 6.29324 0.554 8.52133 N ? A ? 30 N 1
   ATOM 649 CA C LYS A 31 ? 6.04520 54.59182 5.73489 0.554 8.35357 C ? A ? 30 CA 1
   ATOM 650 C C LYS A 31 ? 5.72782 55.26174 4.37363 0.554 11.45600 C ? A ? 30 C 1
   ATOM 651 O C LYS A 31 ? 6.65160 55.91106 3.84781 0.554 11.61676 O ? A ? 30 O 1
   ATOM 652 CB C LYS A 31 ? 7.30086 53.72618 5.59025 0.554 10.12215 C ? A ? 30 CB 1
   ATOM 653 CG C LYS A 31 ? 7.83445 53.24244 6.97174 0.554 14.13375 C ? A ? 30 CG 1
   ATOM 654 CD C LYS A 31 ? 9.03409 52.41164 6.68793 0.554 18.51787 C ? A ? 30 CD 1
   ATOM 655 CE C LYS A 31 ? 9.86291 52.08701 7.89693 0.554 21.35612 C ? A ? 30 CE 1
   ATOM 656 NZ C LYS A 31 ? 11.02823 51.21106 7.42482 0.554 25.43179 N ? A ? 30 NZ 1
   ATOM 657 H C LYS A 31 ? 5.00479 52.97255 6.16215 0.554 10.22560 H ? A ? 30 H 1
   ATOM 658 HA C LYS A 31 ? 6.23559 55.30516 6.36402 0.554 10.02428 H ? A ? 30 HA 1
   ATOM 659 HB2 C LYS A 31 ? 7.09003 52.94507 5.05517 0.554 12.14658 H ? A ? 30 HB2 1
   ATOM 660 HB3 C LYS A 31 ? 7.99820 54.24497 5.15957 0.554 12.14658 H ? A ? 30 HB3 1
   ATOM 661 HG2 C LYS A 31 ? 8.08484 53.99923 7.52444 0.554 16.96050 H ? A ? 30 HG2 1
   ATOM 662 HG3 C LYS A 31 ? 7.16620 52.70621 7.42649 0.554 16.96050 H ? A ? 30 HG3 1
   ATOM 663 HD2 C LYS A 31 ? 8.74485 51.57216 6.29741 0.554 22.22144 H ? A ? 30 HD2 1
   ATOM 664 HD3 C LYS A 31 ? 9.60200 52.88974 6.06359 0.554 22.22144 H ? A ? 30 HD3 1
   ATOM 665 HE2 C LYS A 31 ? 10.21081 52.89992 8.29574 0.554 25.62735 H ? A ? 30 HE2 1
   ATOM 666 HE3 C LYS A 31 ? 9.33433 51.59838 8.54712 0.554 25.62735 H ? A ? 30 HE3 1
   ATOM 667 HZ1 C LYS A 31 ? 11.62469 51.11948 8.07899 0.554 30.51814 H ? A ? 30 HZ1 1
   ATOM 668 HZ2 C LYS A 31 ? 10.72895 50.40588 7.19201 0.554 30.51814 H ? A ? 30 HZ2 1
   ATOM 669 HZ3 C LYS A 31 ? 11.42551 51.58583 6.72210 0.554 30.51814 H ? A ? 30 HZ3 1
   ATOM 670 N . GLY A 32 ? 4.50111 55.10971 3.81207 1.000 8.81847 N ? A ? 31 N 1
   ATOM 671 CA . GLY A 32 ? 4.14444 55.65238 2.49008 1.000 9.41800 C ? A ? 31 CA 1
   ATOM 672 C . GLY A 32 ? 4.74647 54.94854 1.31498 1.000 8.12760 C ? A ? 31 C 1
   ATOM 673 O . GLY A 32 ? 4.51266 55.35480 0.13281 1.000 9.01428 O ? A ? 31 O 1
   ATOM 674 HA2 . GLY A 32 ? 3.18025 55.61266 2.39179 1.000 11.30160 H ? A ? 31 HA2 1
   ATOM 675 HA3 . GLY A 32 ? 4.42784 56.57927 2.45199 1.000 11.30160 H ? A ? 31 HA3 1
   ATOM 676 H A GLY A 32 ? 4.00131 54.46614 4.08705 0.446 10.58216 H ? A ? 31 H 1
   ATOM 677 H C GLY A 32 ? 3.85303 54.68827 4.18887 0.554 10.58216 H ? A ? 31 H 1
   ATOM 678 N A GLN A 33 ? 5.50031 53.87392 1.54914 0.456 10.27491 N ? A ? 32 N 1
   ATOM 679 CA A GLN A 33 ? 6.13234 53.08282 0.51324 0.456 9.76575 C ? A ? 32 CA 1
   ATOM 680 C A GLN A 33 ? 5.13738 52.25286 -0.28371 0.456 8.35178 C ? A ? 32 C 1
   ATOM 681 O A GLN A 33 ? 5.38469 51.96836 -1.47998 0.456 8.43161 O ? A ? 32 O 1
   ATOM 682 CB A GLN A 33 ? 7.12620 52.09588 1.14041 0.456 11.76847 C ? A ? 32 CB 1
   ATOM 683 CG A GLN A 33 ? 8.25294 52.72147 1.93592 0.456 15.35471 C ? A ? 32 CG 1
   ATOM 684 CD A GLN A 33 ? 9.05442 51.76789 2.85060 0.456 13.73212 C ? A ? 32 CD 1
   ATOM 685 OE1 A GLN A 33 ? 8.57780 50.67593 3.35115 0.456 15.94725 O ? A ? 32 OE1 1
   ATOM 686 NE2 A GLN A 33 ? 10.28934 52.19211 3.11338 0.456 19.71352 N ? A ? 32 NE2 1
   ATOM 687 H A GLN A 33 ? 5.66555 53.57265 2.33751 0.456 12.32990 H ? A ? 32 H 1
   ATOM 688 HA A GLN A 33 ? 6.58548 53.70448 -0.07761 0.456 11.71890 H ? A ? 32 HA 1
   ATOM 689 HB2 A GLN A 33 ? 6.63786 51.51209 1.74176 0.456 14.12217 H ? A ? 32 HB2 1
   ATOM 690 HB3 A GLN A 33 ? 7.52997 51.57571 0.42817 0.456 14.12217 H ? A ? 32 HB3 1
   ATOM 691 HG2 A GLN A 33 ? 8.88290 53.11384 1.31134 0.456 18.42565 H ? A ? 32 HG2 1
   ATOM 692 HG3 A GLN A 33 ? 7.87569 53.41129 2.50401 0.456 18.42565 H ? A ? 32 HG3 1
   ATOM 693 HE21 A GLN A 33 ? 10.56871 52.93460 2.78135 0.456 23.65623 H ? A ? 32 HE21 1
   ATOM 694 HE22 A GLN A 33 ? 10.80732 51.72352 3.61510 0.456 23.65623 H ? A ? 32 HE22 1
   ATOM 695 N B GLN A 33 ? 5.50438 53.86760 1.48887 0.544 9.84398 N ? A ? 32 N 1
   ATOM 696 CA B GLN A 33 ? 6.13555 53.08580 0.43534 0.544 9.79837 C ? A ? 32 CA 1
   ATOM 697 C B GLN A 33 ? 5.17213 52.09857 -0.23769 0.544 8.36766 C ? A ? 32 C 1
   ATOM 698 O B GLN A 33 ? 5.51225 51.52091 -1.30617 0.544 10.79968 O ? A ? 32 O 1
   ATOM 699 CB B GLN A 33 ? 7.41019 52.43837 1.00002 0.544 11.37577 C ? A ? 32 CB 1
   ATOM 700 CG B GLN A 33 ? 8.32628 53.48349 1.59737 0.544 12.85905 C ? A ? 32 CG 1
   ATOM 701 CD B GLN A 33 ? 9.44079 52.85977 2.41623 0.544 23.63351 C ? A ? 32 CD 1
   ATOM 702 OE1 B GLN A 33 ? 9.61644 51.63832 2.44524 0.544 23.21573 O ? A ? 32 OE1 1
   ATOM 703 NE2 B GLN A 33 ? 10.17737 53.70306 3.11581 0.544 27.46510 N ? A ? 32 NE2 1
   ATOM 704 H B GLN A 33 ? 5.67995 53.54440 2.26625 0.544 11.81277 H ? A ? 32 H 1
   ATOM 705 HA B GLN A 33 ? 6.43429 53.65149 -0.29381 0.544 11.75805 H ? A ? 32 HA 1
   ATOM 706 HB2 B GLN A 33 ? 7.17028 51.80533 1.69472 0.544 13.65092 H ? A ? 32 HB2 1
   ATOM 707 HB3 B GLN A 33 ? 7.88482 51.98387 0.28654 0.544 13.65092 H ? A ? 32 HB3 1
   ATOM 708 HG2 B GLN A 33 ? 8.72843 54.00146 0.88262 0.544 15.43085 H ? A ? 32 HG2 1
   ATOM 709 HG3 B GLN A 33 ? 7.81129 54.06447 2.17888 0.544 15.43085 H ? A ? 32 HG3 1
   ATOM 710 HE21 B GLN A 33 ? 10.00995 54.54613 3.08734 0.544 32.95812 H ? A ? 32 HE21 1
   ATOM 711 HE22 B GLN A 33 ? 10.82459 53.40930 3.59997 0.544 32.95812 H ? A ? 32 HE22 1
   ATOM 712 N A ALA A 34 ? 4.03396 51.81910 0.32471 0.456 8.30984 N ? A ? 33 N 1
   ATOM 713 CA A ALA A 34 ? 2.89659 51.10850 -0.27711 0.456 7.39064 C ? A ? 33 CA 1
   ATOM 714 C A ALA A 34 ? 1.66313 51.97109 -0.14480 0.456 7.36527 C ? A ? 33 C 1
   ATOM 715 O A ALA A 34 ? 1.62564 52.81095 0.75305 0.456 8.51670 O ? A ? 33 O 1
   ATOM 716 CB A ALA A 34 ? 2.66546 49.76779 0.47342 0.456 8.28194 C ? A ? 33 CB 1
   ATOM 717 H A ALA A 34 ? 3.90428 51.93342 1.16716 0.456 9.97181 H ? A ? 33 H 1
   ATOM 718 HA A ALA A 34 ? 3.05220 50.91885 -1.21557 0.456 8.86876 H ? A ? 33 HA 1
   ATOM 719 HB1 A ALA A 34 ? 1.90102 49.31542 0.08370 0.456 9.93833 H ? A ? 33 HB1 1
   ATOM 720 HB2 A ALA A 34 ? 3.45768 49.21524 0.38413 0.456 9.93833 H ? A ? 33 HB2 1
   ATOM 721 HB3 A ALA A 34 ? 2.49676 49.95522 1.41007 0.456 9.93833 H ? A ? 33 HB3 1
   ATOM 722 N B ALA A 34 ? 3.97838 51.93078 0.35179 0.544 8.05077 N ? A ? 33 N 1
   ATOM 723 CA B ALA A 34 ? 2.86850 51.18067 -0.22538 0.544 7.27510 C ? A ? 33 CA 1
   ATOM 724 C B ALA A 34 ? 1.59911 51.98263 -0.10159 0.544 7.77071 C ? A ? 33 C 1
   ATOM 725 O B ALA A 34 ? 1.44020 52.75016 0.86124 0.544 8.52860 O ? A ? 33 O 1
   ATOM 726 CB B ALA A 34 ? 2.73357 49.80534 0.50456 0.544 8.36490 C ? A ? 33 CB 1
   ATOM 727 H B ALA A 34 ? 3.78515 52.26012 1.12238 0.544 9.66092 H ? A ? 33 H 1
   ATOM 728 HA B ALA A 34 ? 3.00780 51.01245 -1.17047 0.544 8.73013 H ? A ? 33 HA 1
   ATOM 729 HB1 B ALA A 34 ? 1.99359 49.31293 0.11614 0.544 10.03788 H ? A ? 33 HB1 1
   ATOM 730 HB2 B ALA A 34 ? 3.55784 49.30634 0.39289 0.544 10.03788 H ? A ? 33 HB2 1
   ATOM 731 HB3 B ALA A 34 ? 2.56747 49.96304 1.44713 0.544 10.03788 H ? A ? 33 HB3 1
   ATOM 732 N . PRO A 35 ? 0.65405 51.84480 -1.03807 1.000 8.08585 N ? A ? 34 N 1
   ATOM 733 CA . PRO A 35 ? -0.55551 52.64699 -0.94106 1.000 8.03335 C ? A ? 34 CA 1
   ATOM 734 C . PRO A 35 ? -1.37862 52.33878 0.29181 1.000 7.52298 C ? A ? 34 C 1
   ATOM 735 O . PRO A 35 ? -1.35582 51.19274 0.83234 1.000 8.52436 O ? A ? 34 O 1
   ATOM 736 CB . PRO A 35 ? -1.30258 52.32266 -2.23051 1.000 9.47789 C ? A ? 34 CB 1
   ATOM 737 CG . PRO A 35 ? -0.71327 51.13129 -2.66947 1.000 11.42163 C ? A ? 34 CG 1
   ATOM 738 CD . PRO A 35 ? 0.61662 50.90758 -2.16861 1.000 8.37789 C ? A ? 34 CD 1
   ATOM 739 HA . PRO A 35 ? -0.32840 53.58987 -0.92400 1.000 9.64002 H ? A ? 34 HA 1
   ATOM 740 HB2 . PRO A 35 ? -2.24746 52.20074 -2.04823 1.000 11.37346 H ? A ? 34 HB2 1
   ATOM 741 HB3 . PRO A 35 ? -1.17867 53.03488 -2.87726 1.000 11.37346 H ? A ? 34 HB3 1
   ATOM 742 HG2 . PRO A 35 ? -1.28219 50.40088 -2.38011 1.000 13.70596 H ? A ? 34 HG2 1
   ATOM 743 HG3 . PRO A 35 ? -0.68021 51.16227 -3.63841 1.000 13.70596 H ? A ? 34 HG3 1
   ATOM 744 HD2 . PRO A 35 ? 0.73338 49.99134 -1.87233 1.000 10.05347 H ? A ? 34 HD2 1
   ATOM 745 HD3 . PRO A 35 ? 1.28690 51.12910 -2.83386 1.000 10.05347 H ? A ? 34 HD3 1
   ATOM 746 N . TYR A 36 ? -2.14523 53.31509 0.67892 1.000 9.14476 N ? A ? 35 N 1
   ATOM 747 CA . TYR A 36 ? -3.06238 53.22889 1.81202 1.000 9.60661 C ? A ? 35 CA 1
   ATOM 748 C . TYR A 36 ? -4.50302 53.01491 1.35445 1.000 9.76288 C ? A ? 35 C 1
   ATOM 749 O . TYR A 36 ? -5.13639 53.93039 0.72639 1.000 11.21650 O ? A ? 35 O 1
   ATOM 750 H . TYR A 36 ? -2.16463 54.08279 0.29180 1.000 10.97371 H ? A ? 35 H 1
   ATOM 751 HA . TYR A 36 ? -2.81337 52.44127 2.32050 1.000 11.52793 H ? A ? 35 HA 1
   ATOM 752 CB A TYR A 36 ? -2.95339 54.46680 2.69715 0.824 12.14802 C ? A ? 35 CB 1
   ATOM 753 CG A TYR A 36 ? -4.05635 54.45144 3.81454 0.824 11.30044 C ? A ? 35 CG 1
   ATOM 754 CD1 A TYR A 36 ? -4.17729 53.37478 4.67781 0.824 10.03538 C ? A ? 35 CD1 1
   ATOM 755 CD2 A TYR A 36 ? -4.90163 55.52076 4.08427 0.824 10.75690 C ? A ? 35 CD2 1
   ATOM 756 CE1 A TYR A 36 ? -5.14395 53.32359 5.72434 0.824 10.08007 C ? A ? 35 CE1 1
   ATOM 757 CE2 A TYR A 36 ? -5.84066 55.51364 5.08579 0.824 12.65807 C ? A ? 35 CE2 1
   ATOM 758 CZ A TYR A 36 ? -5.98541 54.37145 5.91258 0.824 10.90485 C ? A ? 35 CZ 1
   ATOM 759 OH A TYR A 36 ? -6.94879 54.40319 6.89826 0.824 13.26288 O ? A ? 35 OH 1
   ATOM 760 HB2 A TYR A 36 ? -2.08229 54.48372 3.12351 0.824 14.57762 H ? A ? 35 HB2 1
   ATOM 761 HB3 A TYR A 36 ? -3.07338 55.26280 2.15595 0.824 14.57762 H ? A ? 35 HB3 1
   ATOM 762 HD1 A TYR A 36 ? -3.60161 52.65242 4.56969 0.824 12.04245 H ? A ? 35 HD1 1
   ATOM 763 HD2 A TYR A 36 ? -4.82718 56.28340 3.55727 0.824 12.90828 H ? A ? 35 HD2 1
   ATOM 764 HE1 A TYR A 36 ? -5.19760 52.57612 6.27507 0.824 12.09609 H ? A ? 35 HE1 1
   ATOM 765 HE2 A TYR A 36 ? -6.38154 56.25787 5.22169 0.824 15.18968 H ? A ? 35 HE2 1
   ATOM 766 HH A TYR A 36 ? -7.05679 55.19094 7.16916 0.824 15.91545 H ? A ? 35 HH 1
   ATOM 767 CB B TYR A 36 ? -2.96050 54.48232 2.67795 0.176 11.94541 C ? A ? 35 CB 1
   ATOM 768 CG B TYR A 36 ? -4.04052 54.51254 3.74457 0.176 11.12927 C ? A ? 35 CG 1
   ATOM 769 CD1 B TYR A 36 ? -3.93398 53.72392 4.86900 0.176 7.89962 C ? A ? 35 CD1 1
   ATOM 770 CD2 B TYR A 36 ? -5.16053 55.32508 3.63758 0.176 12.68590 C ? A ? 35 CD2 1
   ATOM 771 CE1 B TYR A 36 ? -4.91872 53.69705 5.82967 0.176 10.22514 C ? A ? 35 CE1 1
   ATOM 772 CE2 B TYR A 36 ? -6.11987 55.33001 4.61426 0.176 10.56704 C ? A ? 35 CE2 1
   ATOM 773 CZ B TYR A 36 ? -6.00639 54.51352 5.71959 0.176 12.28154 C ? A ? 35 CZ 1
   ATOM 774 OH B TYR A 36 ? -7.00343 54.54494 6.67595 0.176 12.50615 O ? A ? 35 OH 1
   ATOM 775 HB2 B TYR A 36 ? -2.09618 54.49833 3.11794 0.176 14.33449 H ? A ? 35 HB2 1
   ATOM 776 HB3 B TYR A 36 ? -3.06228 55.26774 2.11790 0.176 14.33449 H ? A ? 35 HB3 1
   ATOM 777 HD1 B TYR A 36 ? -3.17676 53.19590 4.98176 0.176 9.47954 H ? A ? 35 HD1 1
   ATOM 778 HD2 B TYR A 36 ? -5.26063 55.87319 2.89296 0.176 15.22308 H ? A ? 35 HD2 1
   ATOM 779 HE1 B TYR A 36 ? -4.84276 53.12097 6.55580 0.176 12.27017 H ? A ? 35 HE1 1
   ATOM 780 HE2 B TYR A 36 ? -6.85705 55.89087 4.53121 0.176 12.68045 H ? A ? 35 HE2 1
   ATOM 781 HH B TYR A 36 ? -6.79708 54.04994 7.32248 0.176 15.00738 H ? A ? 35 HH 1
   ATOM 782 N A ASP A 37 ? -5.09107 51.88248 1.64977 0.431 8.83263 N ? A ? 36 N 1
   ATOM 783 CA A ASP A 37 ? -6.48459 51.61494 1.36471 0.431 8.11551 C ? A ? 36 CA 1
   ATOM 784 C A ASP A 37 ? -7.14844 51.39927 2.70852 0.431 7.33189 C ? A ? 36 C 1
   ATOM 785 O A ASP A 37 ? -6.64966 50.56762 3.51973 0.431 7.27157 O ? A ? 36 O 1
   ATOM 786 CB A ASP A 37 ? -6.55123 50.34321 0.52044 0.431 8.33261 C ? A ? 36 CB 1
   ATOM 787 CG A ASP A 37 ? -7.95889 49.89222 0.23683 0.431 11.03755 C ? A ? 36 CG 1
   ATOM 788 OD1 A ASP A 37 ? -8.50511 50.54415 -0.72202 0.431 12.21957 O ? A ? 36 OD1 1
   ATOM 789 OD2 A ASP A 37 ? -8.47612 48.89660 0.80149 0.431 8.89539 O ? A ? 36 OD2 1
   ATOM 790 H A ASP A 37 ? -4.69047 51.22411 2.03144 0.431 10.59916 H ? A ? 36 H 1
   ATOM 791 HA A ASP A 37 ? -6.92940 52.33925 0.89735 0.431 9.73861 H ? A ? 36 HA 1
   ATOM 792 HB2 A ASP A 37 ? -6.11385 50.50706 -0.32971 0.431 9.99913 H ? A ? 36 HB2 1
   ATOM 793 HB3 A ASP A 37 ? -6.09876 49.62761 0.99383 0.431 9.99913 H ? A ? 36 HB3 1
   ATOM 794 N B ASP A 37 ? -4.99212 51.76289 1.50887 0.569 9.65105 N ? A ? 36 N 1
   ATOM 795 CA B ASP A 37 ? -6.36439 51.36442 1.24169 0.569 8.91765 C ? A ? 36 CA 1
   ATOM 796 C B ASP A 37 ? -7.05976 51.20134 2.58169 0.569 8.20342 C ? A ? 36 C 1
   ATOM 797 O B ASP A 37 ? -6.85919 50.18275 3.32763 0.569 7.22148 O ? A ? 36 O 1
   ATOM 798 CB B ASP A 37 ? -6.44814 50.07165 0.41914 0.569 9.63581 C ? A ? 36 CB 1
   ATOM 799 CG B ASP A 37 ? -7.89343 49.63457 0.13546 0.569 11.11960 C ? A ? 36 CG 1
   ATOM 800 OD1 B ASP A 37 ? -8.75841 49.53175 1.03346 0.569 10.14570 O ? A ? 36 OD1 1
   ATOM 801 OD2 B ASP A 37 ? -8.23332 49.52455 -1.06961 0.569 15.44353 O ? A ? 36 OD2 1
   ATOM 802 H B ASP A 37 ? -4.51093 51.10454 1.78204 0.569 11.58126 H ? A ? 36 H 1
   ATOM 803 HA B ASP A 37 ? -6.79558 52.06704 0.73051 0.569 10.70118 H ? A ? 36 HA 1
   ATOM 804 HB2 B ASP A 37 ? -6.00503 50.21049 -0.43248 0.569 11.56297 H ? A ? 36 HB2 1
   ATOM 805 HB3 B ASP A 37 ? -6.01031 49.35765 0.90843 0.569 11.56297 H ? A ? 36 HB3 1
   ATOM 806 N A ALA A 38 ? -8.22686 52.11905 2.99382 0.431 7.14780 N ? A ? 37 N 1
   ATOM 807 CA A ALA A 38 ? -8.74795 52.09586 4.35231 0.431 7.88848 C ? A ? 37 CA 1
   ATOM 808 C A ALA A 38 ? -9.42845 50.78788 4.65364 0.431 7.45189 C ? A ? 37 C 1
   ATOM 809 O A ALA A 38 ? -9.39457 50.33567 5.80799 0.431 7.12574 O ? A ? 37 O 1
   ATOM 810 CB A ALA A 38 ? -9.71547 53.26019 4.62458 0.431 9.37759 C ? A ? 37 CB 1
   ATOM 811 H A ALA A 38 ? -8.66049 52.61213 2.43845 0.431 8.57736 H ? A ? 37 H 1
   ATOM 812 HA A ALA A 38 ? -7.99475 52.21294 4.95221 0.431 9.46618 H ? A ? 37 HA 1
   ATOM 813 HB1 A ALA A 38 ? -10.06537 53.17598 5.52535 0.431 11.25310 H ? A ? 37 HB1 1
   ATOM 814 HB2 A ALA A 38 ? -9.23508 54.09792 4.53330 0.431 11.25310 H ? A ? 37 HB2 1
   ATOM 815 HB3 A ALA A 38 ? -10.44190 53.22382 3.98280 0.431 11.25310 H ? A ? 37 HB3 1
   ATOM 816 N B ALA A 38 ? -7.73729 52.25162 2.99512 0.569 7.80667 N ? A ? 37 N 1
   ATOM 817 CA B ALA A 38 ? -8.34246 52.26286 4.31941 0.569 7.76863 C ? A ? 37 CA 1
   ATOM 818 C B ALA A 38 ? -9.10016 50.98622 4.65838 0.569 6.55970 C ? A ? 37 C 1
   ATOM 819 O B ALA A 38 ? -8.93784 50.46401 5.77306 0.569 7.36755 O ? A ? 37 O 1
   ATOM 820 CB B ALA A 38 ? -9.26428 53.47051 4.46275 0.569 9.48035 C ? A ? 37 CB 1
   ATOM 821 H B ALA A 38 ? -7.86386 52.96797 2.53640 0.569 9.36800 H ? A ? 37 H 1
   ATOM 822 HA B ALA A 38 ? -7.61548 52.33358 4.95769 0.569 9.32236 H ? A ? 37 HA 1
   ATOM 823 HB1 B ALA A 38 ? -9.66254 53.46059 5.34717 0.569 11.37642 H ? A ? 37 HB1 1
   ATOM 824 HB2 B ALA A 38 ? -8.74437 54.28063 4.34318 0.569 11.37642 H ? A ? 37 HB2 1
   ATOM 825 HB3 B ALA A 38 ? -9.95825 53.42007 3.78690 0.569 11.37642 H ? A ? 37 HB3 1
   ATOM 826 N A ALA A 39 ? -10.01448 50.14252 3.65333 0.431 10.50924 N ? A ? 38 N 1
   ATOM 827 CA A ALA A 39 ? -10.69797 48.87445 3.89391 0.431 8.50998 C ? A ? 38 CA 1
   ATOM 828 C A ALA A 39 ? -9.68776 47.75642 4.13862 0.431 8.57422 C ? A ? 38 C 1
   ATOM 829 O A ALA A 39 ? -9.88661 46.92365 5.03506 0.431 7.12288 O ? A ? 38 O 1
   ATOM 830 CB A ALA A 39 ? -11.60393 48.54106 2.69578 0.431 12.35556 C ? A ? 38 CB 1
   ATOM 831 H A ALA A 39 ? -10.03234 50.41086 2.83646 0.431 12.61109 H ? A ? 38 H 1
   ATOM 832 HA A ALA A 39 ? -11.25930 48.95153 4.68123 0.431 10.21197 H ? A ? 38 HA 1
   ATOM 833 HB1 A ALA A 39 ? -12.04229 47.69114 2.85819 0.431 14.82667 H ? A ? 38 HB1 1
   ATOM 834 HB2 A ALA A 39 ? -12.26730 49.24181 2.59684 0.431 14.82667 H ? A ? 38 HB2 1
   ATOM 835 HB3 A ALA A 39 ? -11.06003 48.48495 1.89458 0.431 14.82667 H ? A ? 38 HB3 1
   ATOM 836 N B ALA A 39 ? -9.98366 50.50172 3.79004 0.569 8.06148 N ? A ? 38 N 1
   ATOM 837 CA B ALA A 39 ? -10.75305 49.27797 4.09862 0.569 7.76962 C ? A ? 38 CA 1
   ATOM 838 C B ALA A 39 ? -9.84620 48.06780 4.31851 0.569 7.05884 C ? A ? 38 C 1
   ATOM 839 O B ALA A 39 ? -10.10223 47.25277 5.24773 0.569 8.94445 O ? A ? 38 O 1
   ATOM 840 CB B ALA A 39 ? -11.80708 48.95080 3.02401 0.569 8.93316 C ? A ? 38 CB 1
   ATOM 841 H B ALA A 39 ? -10.16119 50.84987 3.02396 0.569 9.67378 H ? A ? 38 H 1
   ATOM 842 HA B ALA A 39 ? -11.23370 49.46468 4.92021 0.569 9.32355 H ? A ? 38 HA 1
   ATOM 843 HB1 B ALA A 39 ? -12.25312 48.12267 3.26095 0.569 10.71979 H ? A ? 38 HB1 1
   ATOM 844 HB2 B ALA A 39 ? -12.45210 49.67415 2.98377 0.569 10.71979 H ? A ? 38 HB2 1
   ATOM 845 HB3 B ALA A 39 ? -11.36429 48.85437 2.16638 0.569 10.71979 H ? A ? 38 HB3 1
   ATOM 846 N A GLN A 40 ? -8.59698 47.70837 3.38068 0.431 8.20106 N ? A ? 39 N 1
   ATOM 847 CA A GLN A 40 ? -7.52813 46.74774 3.61696 0.431 8.17626 C ? A ? 39 CA 1
   ATOM 848 C A GLN A 40 ? -6.95493 46.85975 5.03454 0.431 7.38528 C ? A ? 39 C 1
   ATOM 849 O A GLN A 40 ? -6.68649 45.83830 5.72063 0.431 7.89158 O ? A ? 39 O 1
   ATOM 850 CB A GLN A 40 ? -6.39163 47.03190 2.63941 0.431 8.94172 C ? A ? 39 CB 1
   ATOM 851 CG A GLN A 40 ? -5.19538 45.99829 2.82890 0.431 7.07926 C ? A ? 39 CG 1
   ATOM 852 CD A GLN A 40 ? -3.97752 46.27140 1.82741 0.431 13.96000 C ? A ? 39 CD 1
   ATOM 853 OE1 A GLN A 40 ? -3.64960 47.46303 1.56297 0.431 13.23902 O ? A ? 39 OE1 1
   ATOM 854 NE2 A GLN A 40 ? -3.44237 45.17588 1.12324 0.431 11.42666 N ? A ? 39 NE2 1
   ATOM 855 H A GLN A 40 ? -8.44896 48.22930 2.71260 0.431 9.84128 H ? A ? 39 H 1
   ATOM 856 HA A GLN A 40 ? -7.89227 45.85756 3.49093 0.431 9.81151 H ? A ? 39 HA 1
   ATOM 857 HB2 A GLN A 40 ? -6.72241 46.95500 1.73080 0.431 10.73007 H ? A ? 39 HB2 1
   ATOM 858 HB3 A GLN A 40 ? -6.05103 47.92691 2.79384 0.431 10.73007 H ? A ? 39 HB3 1
   ATOM 859 HG2 A GLN A 40 ? -4.85896 46.06690 3.73610 0.431 8.49512 H ? A ? 39 HG2 1
   ATOM 860 HG3 A GLN A 40 ? -5.52397 45.10067 2.66392 0.431 8.49512 H ? A ? 39 HG3 1
   ATOM 861 HE21 A GLN A 40 ? -3.77038 44.38922 1.23804 0.431 13.71199 H ? A ? 39 HE21 1
   ATOM 862 HE22 A GLN A 40 ? -2.78749 45.29339 0.57833 0.431 13.71199 H ? A ? 39 HE22 1
   ATOM 863 N B GLN A 40 ? -8.78983 47.92269 3.51968 0.569 7.99357 N ? A ? 39 N 1
   ATOM 864 CA B GLN A 40 ? -7.83611 46.82443 3.64485 0.569 8.42207 C ? A ? 39 CA 1
   ATOM 865 C B GLN A 40 ? -7.20155 46.88885 5.06540 0.569 8.06087 C ? A ? 39 C 1
   ATOM 866 O B GLN A 40 ? -7.15175 45.86441 5.81104 0.569 7.12157 O ? A ? 39 O 1
   ATOM 867 CB B GLN A 40 ? -6.78684 46.92942 2.53636 0.569 7.44926 C ? A ? 39 CB 1
   ATOM 868 CG B GLN A 40 ? -5.68382 45.85256 2.59521 0.569 13.60176 C ? A ? 39 CG 1
   ATOM 869 CD B GLN A 40 ? -4.44541 46.23060 1.78956 0.569 10.89814 C ? A ? 39 CD 1
   ATOM 870 OE1 B GLN A 40 ? -4.22896 47.40902 1.30317 0.569 16.69219 O ? A ? 39 OE1 1
   ATOM 871 NE2 B GLN A 40 ? -3.61232 45.20501 1.58392 0.569 14.08326 N ? A ? 39 NE2 1
   ATOM 872 H B GLN A 40 ? -8.59686 48.46227 2.87841 0.569 9.59229 H ? A ? 39 H 1
   ATOM 873 HA B GLN A 40 ? -8.26722 45.96265 3.53361 0.569 10.10648 H ? A ? 39 HA 1
   ATOM 874 HB2 B GLN A 40 ? -7.23334 46.84488 1.67939 0.569 8.93912 H ? A ? 39 HB2 1
   ATOM 875 HB3 B GLN A 40 ? -6.35459 47.79536 2.60123 0.569 8.93912 H ? A ? 39 HB3 1
   ATOM 876 HG2 B GLN A 40 ? -5.41399 45.72679 3.51840 0.569 16.32211 H ? A ? 39 HG2 1
   ATOM 877 HG3 B GLN A 40 ? -6.03339 45.02224 2.23567 0.569 16.32211 H ? A ? 39 HG3 1
   ATOM 878 HE21 B GLN A 40 ? -3.80268 44.42695 1.89694 0.569 16.89991 H ? A ? 39 HE21 1
   ATOM 879 HE22 B GLN A 40 ? -2.88617 45.32349 1.13864 0.569 16.89991 H ? A ? 39 HE22 1
   ATOM 880 N . ILE A 41 ? -6.69600 48.06047 5.45936 1.000 7.90430 N ? A ? 40 N 1
   ATOM 881 CA . ILE A 41 ? -6.07335 48.22888 6.75147 1.000 7.55804 C ? A ? 40 CA 1
   ATOM 882 C . ILE A 41 ? -7.07170 48.00800 7.86417 1.000 7.03544 C ? A ? 40 C 1
   ATOM 883 O . ILE A 41 ? -6.72989 47.37370 8.89858 1.000 7.77609 O ? A ? 40 O 1
   ATOM 884 CB . ILE A 41 ? -5.43223 49.61180 6.86308 1.000 8.07578 C ? A ? 40 CB 1
   ATOM 885 CG1 . ILE A 41 ? -4.21684 49.72940 5.92649 1.000 8.65944 C ? A ? 40 CG1 1
   ATOM 886 CG2 . ILE A 41 ? -5.00405 49.97923 8.28453 1.000 8.76454 C ? A ? 40 CG2 1
   ATOM 887 CD1 . ILE A 41 ? -3.00388 48.81361 6.26296 1.000 10.82722 C ? A ? 40 CD1 1
   ATOM 888 HA . ILE A 41 ? -5.37465 47.56093 6.83248 1.000 9.06965 H ? A ? 40 HA 1
   ATOM 889 HB . ILE A 41 ? -6.12617 50.23548 6.59779 1.000 9.69094 H ? A ? 40 HB 1
   ATOM 890 HG12 . ILE A 41 ? -4.50417 49.50515 5.02757 1.000 10.39133 H ? A ? 40 HG12 1
   ATOM 891 HG13 . ILE A 41 ? -3.90013 50.64581 5.95464 1.000 10.39133 H ? A ? 40 HG13 1
   ATOM 892 HG21 . ILE A 41 ? -4.40273 50.73942 8.24666 1.000 10.51745 H ? A ? 40 HG21 1
   ATOM 893 HG22 . ILE A 41 ? -5.79185 50.20615 8.80296 1.000 10.51745 H ? A ? 40 HG22 1
   ATOM 894 HG23 . ILE A 41 ? -4.55230 49.21975 8.68454 1.000 10.51745 H ? A ? 40 HG23 1
   ATOM 895 HD11 . ILE A 41 ? -2.23792 49.09955 5.74101 1.000 12.99267 H ? A ? 40 HD11 1
   ATOM 896 HD12 . ILE A 41 ? -2.80535 48.88756 7.20954 1.000 12.99267 H ? A ? 40 HD12 1
   ATOM 897 HD13 . ILE A 41 ? -3.23016 47.89635 6.04312 1.000 12.99267 H ? A ? 40 HD13 1
   ATOM 898 H A ILE A 41 ? -6.86458 48.78784 5.03262 0.431 9.48516 H ? A ? 40 H 1
   ATOM 899 H B ILE A 41 ? -6.70558 48.77717 4.98413 0.569 9.48516 H ? A ? 40 H 1
   ATOM 900 N . LYS A 42 ? -8.32679 48.43462 7.75295 1.000 7.70095 N ? A ? 41 N 1
   ATOM 901 CA . LYS A 42 ? -9.36137 48.17916 8.76044 1.000 7.93078 C ? A ? 41 CA 1
   ATOM 902 C . LYS A 42 ? -9.52202 46.66707 8.95878 1.000 8.50914 C ? A ? 41 C 1
   ATOM 903 O . LYS A 42 ? -9.55794 46.19387 10.12175 1.000 8.48617 O ? A ? 41 O 1
   ATOM 904 CB . LYS A 42 ? -10.66398 48.83739 8.32378 1.000 9.47107 C ? A ? 41 CB 1
   ATOM 905 CG . LYS A 42 ? -11.81040 48.55669 9.32894 1.000 10.77461 C ? A ? 41 CG 1
   ATOM 906 CD . LYS A 42 ? -13.11783 49.29680 8.95849 1.000 13.15788 C ? A ? 41 CD 1
   ATOM 907 CE . LYS A 42 ? -14.19822 49.08987 9.99258 1.000 16.26542 C ? A ? 41 CE 1
   ATOM 908 NZ . LYS A 42 ? -15.51461 49.70509 9.52483 1.000 20.85744 N ? A ? 41 NZ 1
   ATOM 909 H . LYS A 42 ? -8.61929 48.88919 7.08407 1.000 9.24114 H ? A ? 41 H 1
   ATOM 910 HA . LYS A 42 ? -9.11572 48.57003 9.61354 1.000 9.51693 H ? A ? 41 HA 1
   ATOM 911 HB2 . LYS A 42 ? -10.53476 49.79715 8.26839 1.000 11.36529 H ? A ? 41 HB2 1
   ATOM 912 HB3 . LYS A 42 ? -10.92489 48.48724 7.45763 1.000 11.36529 H ? A ? 41 HB3 1
   ATOM 913 HG2 . LYS A 42 ? -11.99673 47.60482 9.34016 1.000 12.92953 H ? A ? 41 HG2 1
   ATOM 914 HG3 . LYS A 42 ? -11.53780 48.85181 10.21182 1.000 12.92953 H ? A ? 41 HG3 1
   ATOM 915 HD2 . LYS A 42 ? -12.93896 50.24798 8.89389 1.000 15.78946 H ? A ? 41 HD2 1
   ATOM 916 HD3 . LYS A 42 ? -13.44433 48.96216 8.10859 1.000 15.78946 H ? A ? 41 HD3 1
   ATOM 917 HE2 . LYS A 42 ? -14.33437 48.13995 10.13403 1.000 19.51850 H ? A ? 41 HE2 1
   ATOM 918 HE3 . LYS A 42 ? -13.93700 49.51507 10.82437 1.000 19.51850 H ? A ? 41 HE3 1
   ATOM 919 HZ1 . LYS A 42 ? -15.88499 50.17096 10.18656 1.000 25.02893 H ? A ? 41 HZ1 1
   ATOM 920 HZ2 . LYS A 42 ? -15.36858 50.24866 8.83541 1.000 25.02893 H ? A ? 41 HZ2 1
   ATOM 921 HZ3 . LYS A 42 ? -16.07776 49.06369 9.27271 1.000 25.02893 H ? A ? 41 HZ3 1
   ATOM 922 N A ALA A 43 ? -9.52873 45.88912 7.88482 0.557 9.00306 N ? A ? 42 N 1
   ATOM 923 CA A ALA A 43 ? -9.62226 44.42977 8.01852 0.557 9.56637 C ? A ? 42 CA 1
   ATOM 924 C A ALA A 43 ? -8.36332 43.85975 8.67630 0.557 9.46592 C ? A ? 42 C 1
   ATOM 925 O A ALA A 43 ? -8.46844 43.03642 9.61122 0.557 8.42416 O ? A ? 42 O 1
   ATOM 926 CB A ALA A 43 ? -9.82805 43.82651 6.61851 0.557 11.58245 C ? A ? 42 CB 1
   ATOM 927 H A ALA A 43 ? -9.48109 46.17076 7.07365 0.557 10.80367 H ? A ? 42 H 1
   ATOM 928 HA A ALA A 43 ? -10.37793 44.19470 8.57942 0.557 11.47964 H ? A ? 42 HA 1
   ATOM 929 HB1 A ALA A 43 ? -9.91204 42.86350 6.69882 0.557 13.89894 H ? A ? 42 HB1 1
   ATOM 930 HB2 A ALA A 43 ? -10.63574 44.19775 6.23028 0.557 13.89894 H ? A ? 42 HB2 1
   ATOM 931 HB3 A ALA A 43 ? -9.06312 44.04675 6.06418 0.557 13.89894 H ? A ? 42 HB3 1
   ATOM 932 N B ALA A 43 ? -9.61695 45.87959 7.86373 0.443 8.97926 N ? A ? 42 N 1
   ATOM 933 CA B ALA A 43 ? -9.86943 44.43171 7.97283 0.443 9.41861 C ? A ? 42 CA 1
   ATOM 934 C B ALA A 43 ? -8.66094 43.73040 8.53725 0.443 6.98124 C ? A ? 42 C 1
   ATOM 935 O B ALA A 43 ? -8.78468 42.73782 9.30856 0.443 7.05793 O ? A ? 42 O 1
   ATOM 936 CB B ALA A 43 ? -10.18042 43.83777 6.58965 0.443 11.22411 C ? A ? 42 CB 1
   ATOM 937 H B ALA A 43 ? -9.53916 46.15974 7.05437 0.443 10.77511 H ? A ? 42 H 1
   ATOM 938 HA B ALA A 43 ? -10.63650 44.28982 8.54934 0.443 11.30234 H ? A ? 42 HA 1
   ATOM 939 HB1 B ALA A 43 ? -10.31651 42.88162 6.67987 0.443 13.46893 H ? A ? 42 HB1 1
   ATOM 940 HB2 B ALA A 43 ? -10.98355 44.25468 6.24026 0.443 13.46893 H ? A ? 42 HB2 1
   ATOM 941 HB3 B ALA A 43 ? -9.43288 44.01095 5.99627 0.443 13.46893 H ? A ? 42 HB3 1
   ATOM 942 N A ASN A 44 ? -7.14871 44.30573 8.30601 0.557 8.44269 N ? A ? 43 N 1
   ATOM 943 CA A ASN A 44 ? -5.89136 43.76930 8.88436 0.557 7.35044 C ? A ? 43 CA 1
   ATOM 944 C A ASN A 44 ? -5.83582 44.07048 10.34639 0.557 7.65864 C ? A ? 43 C 1
   ATOM 945 O A ASN A 44 ? -5.26455 43.31174 11.20559 0.557 7.07754 O ? A ? 43 O 1
   ATOM 946 CB A ASN A 44 ? -4.63035 44.38400 8.18109 0.557 7.38770 C ? A ? 43 CB 1
   ATOM 947 CG A ASN A 44 ? -3.38402 43.68239 8.71476 0.557 7.44379 C ? A ? 43 CG 1
   ATOM 948 OD1 A ASN A 44 ? -3.20456 42.48886 8.49512 0.557 9.22942 O ? A ? 43 OD1 1
   ATOM 949 ND2 A ASN A 44 ? -2.50975 44.44601 9.36539 0.557 7.85861 N ? A ? 43 ND2 1
   ATOM 950 H A ASN A 44 ? -7.01932 44.92114 7.71938 0.557 10.13123 H ? A ? 43 H 1
   ATOM 951 HA A ASN A 44 ? -5.85592 42.81158 8.73467 0.557 8.82053 H ? A ? 43 HA 1
   ATOM 952 HB2 A ASN A 44 ? -4.68540 44.24719 7.22237 0.557 8.86524 H ? A ? 43 HB2 1
   ATOM 953 HB3 A ASN A 44 ? -4.56964 45.33186 8.37801 0.557 8.86524 H ? A ? 43 HB3 1
   ATOM 954 HD21 A ASN A 44 ? -1.79096 44.09929 9.68592 0.557 9.43033 H ? A ? 43 HD21 1
   ATOM 955 HD22 A ASN A 44 ? -2.66351 45.28623 9.46536 0.557 9.43033 H ? A ? 43 HD22 1
   ATOM 956 N B ASN A 44 ? -7.47690 44.21996 8.23506 0.443 7.82023 N ? A ? 43 N 1
   ATOM 957 CA B ASN A 44 ? -6.27356 43.64770 8.81034 0.443 6.94438 C ? A ? 43 CA 1
   ATOM 958 C B ASN A 44 ? -6.08748 43.93836 10.31708 0.443 7.09563 C ? A ? 43 C 1
   ATOM 959 O B ASN A 44 ? -5.74646 42.95349 11.05904 0.443 4.68313 O ? A ? 43 O 1
   ATOM 960 CB B ASN A 44 ? -5.03110 44.05875 8.01700 0.443 4.87424 C ? A ? 43 CB 1
   ATOM 961 CG B ASN A 44 ? -3.79645 43.36895 8.60829 0.443 6.35009 C ? A ? 43 CG 1
   ATOM 962 OD1 B ASN A 44 ? -3.67912 42.19065 8.44355 0.443 6.74813 O ? A ? 43 OD1 1
   ATOM 963 ND2 B ASN A 44 ? -2.92002 44.09319 9.23232 0.443 6.12521 N ? A ? 43 ND2 1
   ATOM 964 H B ASN A 44 ? -7.33917 44.88060 7.70196 0.443 9.38427 H ? A ? 43 H 1
   ATOM 965 HA B ASN A 44 ? -6.37789 42.68626 8.73510 0.443 8.33326 H ? A ? 43 HA 1
   ATOM 966 HB2 B ASN A 44 ? -5.12823 43.78811 7.09060 0.443 5.84909 H ? A ? 43 HB2 1
   ATOM 967 HB3 B ASN A 44 ? -4.90969 45.01961 8.07094 0.443 5.84909 H ? A ? 43 HB3 1
   ATOM 968 HD21 B ASN A 44 ? -2.22058 43.72491 9.57108 0.443 7.35026 H ? A ? 43 HD21 1
   ATOM 969 HD22 B ASN A 44 ? -3.03829 44.94170 9.30735 0.443 7.35026 H ? A ? 43 HD22 1
   ATOM 970 N A VAL A 45 ? -6.55745 45.09389 10.68992 0.557 7.39090 N ? A ? 44 N 1
   ATOM 971 CA A VAL A 45 ? -6.51101 45.40162 12.08433 0.557 6.96887 C ? A ? 44 CA 1
   ATOM 972 C A VAL A 45 ? -7.56263 44.63180 12.84559 0.557 5.87166 C ? A ? 44 C 1
   ATOM 973 O A VAL A 45 ? -7.31384 44.25147 14.00056 0.557 6.43533 O ? A ? 44 O 1
   ATOM 974 CB A VAL A 45 ? -6.50903 46.90460 12.27702 0.557 7.04804 C ? A ? 44 CB 1
   ATOM 975 CG1 A VAL A 45 ? -6.74998 47.20861 13.75413 0.557 9.32582 C ? A ? 44 CG1 1
   ATOM 976 CG2 A VAL A 45 ? -5.23821 47.58322 11.67991 0.557 7.89913 C ? A ? 44 CG2 1
   ATOM 977 H A VAL A 45 ? -7.04300 45.58681 10.17916 0.557 8.86908 H ? A ? 44 H 1
   ATOM 978 HA A VAL A 45 ? -5.67567 45.10122 12.47532 0.557 8.36264 H ? A ? 44 HA 1
   ATOM 979 HB A VAL A 45 ? -7.23345 47.30718 11.77298 0.557 8.45765 H ? A ? 44 HB 1
   ATOM 980 HG11 A VAL A 45 ? -6.56062 48.14561 13.91868 0.557 11.19098 H ? A ? 44 HG11 1
   ATOM 981 HG12 A VAL A 45 ? -7.67589 47.01551 13.96934 0.557 11.19098 H ? A ? 44 HG12 1
   ATOM 982 HG13 A VAL A 45 ? -6.16292 46.65331 14.29069 0.557 11.19098 H ? A ? 44 HG13 1
   ATOM 983 HG21 A VAL A 45 ? -5.28959 48.53971 11.83283 0.557 9.47896 H ? A ? 44 HG21 1
   ATOM 984 HG22 A VAL A 45 ? -4.45172 47.22023 12.11645 0.557 9.47896 H ? A ? 44 HG22 1
   ATOM 985 HG23 A VAL A 45 ? -5.20130 47.40199 10.72771 0.557 9.47896 H ? A ? 44 HG23 1
   ATOM 986 N B VAL A 45 ? -6.04412 45.26489 10.77512 0.443 5.51315 N ? A ? 44 N 1
   ATOM 987 CA B VAL A 45 ? -6.02992 45.69008 12.22020 0.443 5.96020 C ? A ? 44 CA 1
   ATOM 988 C B VAL A 45 ? -7.03329 44.91819 13.05757 0.443 5.52989 C ? A ? 44 C 1
   ATOM 989 O B VAL A 45 ? -6.72808 44.58695 14.19290 0.443 5.78458 O ? A ? 44 O 1
   ATOM 990 CB B VAL A 45 ? -6.11438 47.22445 12.38906 0.443 7.61222 C ? A ? 44 CB 1
   ATOM 991 CG1 B VAL A 45 ? -6.17379 47.65649 13.91636 0.443 7.11859 C ? A ? 44 CG1 1
   ATOM 992 CG2 B VAL A 45 ? -4.89556 47.89975 11.77296 0.443 7.55019 C ? A ? 44 CG2 1
   ATOM 993 H B VAL A 45 ? -6.02215 45.94231 10.24576 0.443 6.61578 H ? A ? 44 H 1
   ATOM 994 HA B VAL A 45 ? -5.15726 45.45333 12.57135 0.443 7.15224 H ? A ? 44 HA 1
   ATOM 995 HB B VAL A 45 ? -6.92842 47.50726 11.94379 0.443 9.13467 H ? A ? 44 HB 1
   ATOM 996 HG11 B VAL A 45 ? -5.99520 48.60760 13.98269 0.443 8.54231 H ? A ? 44 HG11 1
   ATOM 997 HG12 B VAL A 45 ? -7.05721 47.46066 14.26582 0.443 8.54231 H ? A ? 44 HG12 1
   ATOM 998 HG13 B VAL A 45 ? -5.50441 47.15892 14.41158 0.443 8.54231 H ? A ? 44 HG13 1
   ATOM 999 HG21 B VAL A 45 ? -4.94635 48.85429 11.93783 0.443 9.06022 H ? A ? 44 HG21 1
   ATOM 1000 HG22 B VAL A 45 ? -4.09363 47.53601 12.17979 0.443 9.06022 H ? A ? 44 HG22 1
   ATOM 1001 HG23 B VAL A 45 ? -4.88878 47.72889 10.81816 0.443 9.06022 H ? A ? 44 HG23 1
   ATOM 1002 N A GLU A 46 ? -8.67754 44.22543 12.22294 0.557 6.90351 N ? A ? 45 N 1
   ATOM 1003 CA A GLU A 46 ? -9.62857 43.35715 12.90865 0.557 7.23127 C ? A ? 45 CA 1
   ATOM 1004 C A GLU A 46 ? -8.97388 42.01087 13.18280 0.557 9.31851 C ? A ? 45 C 1
   ATOM 1005 O A GLU A 46 ? -9.22756 41.38789 14.22020 0.557 7.05008 O ? A ? 45 O 1
   ATOM 1006 CB A GLU A 46 ? -10.92005 43.25747 12.08540 0.557 10.59194 C ? A ? 45 CB 1
   ATOM 1007 CG A GLU A 46 ? -11.87804 44.41211 12.43028 0.557 18.82544 C ? A ? 45 CG 1
   ATOM 1008 CD A GLU A 46 ? -12.52025 44.25543 13.85058 0.557 20.70744 C ? A ? 45 CD 1
   ATOM 1009 OE1 A GLU A 46 ? -12.43914 43.17944 14.45074 0.557 26.96108 O ? A ? 45 OE1 1
   ATOM 1010 OE2 A GLU A 46 ? -13.17012 45.19832 14.32181 0.557 31.96031 O ? A ? 45 OE2 1
   ATOM 1011 H A GLU A 46 ? -8.89851 44.43660 11.41909 0.557 8.28422 H ? A ? 45 H 1
   ATOM 1012 HA A GLU A 46 ? -9.90042 43.72288 13.76495 0.557 8.67753 H ? A ? 45 HA 1
   ATOM 1013 HB2 A GLU A 46 ? -10.70569 43.30593 11.14062 0.557 12.71033 H ? A ? 45 HB2 1
   ATOM 1014 HB3 A GLU A 46 ? -11.36478 42.41816 12.28206 0.557 12.71033 H ? A ? 45 HB3 1
   ATOM 1015 HG2 A GLU A 46 ? -11.38615 45.24797 12.41301 0.557 22.59053 H ? A ? 45 HG2 1
   ATOM 1016 HG3 A GLU A 46 ? -12.59463 44.43531 11.77693 0.557 22.59053 H ? A ? 45 HG3 1
   ATOM 1017 N B GLU A 46 ? -8.22572 44.61983 12.50451 0.443 7.50726 N ? A ? 45 N 1
   ATOM 1018 CA B GLU A 46 ? -9.16007 43.71631 13.16873 0.443 7.86971 C ? A ? 45 CA 1
   ATOM 1019 C B GLU A 46 ? -8.53656 42.32900 13.41223 0.443 6.98068 C ? A ? 45 C 1
   ATOM 1020 O B GLU A 46 ? -8.65819 41.83610 14.55473 0.443 7.03496 O ? A ? 45 O 1
   ATOM 1021 CB B GLU A 46 ? -10.40924 43.56048 12.30098 0.443 8.90884 C ? A ? 45 CB 1
   ATOM 1022 CG B GLU A 46 ? -11.47711 44.72747 12.23497 0.443 13.47073 C ? A ? 45 CG 1
   ATOM 1023 CD B GLU A 46 ? -12.46852 44.69773 11.04926 0.443 20.29308 C ? A ? 45 CD 1
   ATOM 1024 OE1 B GLU A 46 ? -12.27448 43.93448 10.08173 0.443 23.70951 O ? A ? 45 OE1 1
   ATOM 1025 OE2 B GLU A 46 ? -13.46138 45.48974 11.06262 0.443 19.08443 O ? A ? 45 OE2 1
   ATOM 1026 H B GLU A 46 ? -8.50694 44.92861 11.75274 0.443 9.00872 H ? A ? 45 H 1
   ATOM 1027 HA B GLU A 46 ? -9.39781 44.10047 14.02710 0.443 9.44365 H ? A ? 45 HA 1
   ATOM 1028 HB2 B GLU A 46 ? -10.10996 43.41770 11.38942 0.443 10.69061 H ? A ? 45 HB2 1
   ATOM 1029 HB3 B GLU A 46 ? -10.88520 42.77793 12.62032 0.443 10.69061 H ? A ? 45 HB3 1
   ATOM 1030 HG2 B GLU A 46 ? -12.00666 44.69656 13.04707 0.443 16.16488 H ? A ? 45 HG2 1
   ATOM 1031 HG3 B GLU A 46 ? -10.99893 45.56979 12.18257 0.443 16.16488 H ? A ? 45 HG3 1
   ATOM 1032 N . VAL A 47 ? -8.02974 41.62689 12.35265 1.000 9.12316 N ? A ? 46 N 1
   ATOM 1033 CA . VAL A 47 ? -7.32077 40.35378 12.54771 1.000 10.21771 C ? A ? 46 CA 1
   ATOM 1034 C . VAL A 47 ? -6.27532 40.51599 13.63076 1.000 7.70381 C ? A ? 46 C 1
   ATOM 1035 O . VAL A 47 ? -6.21149 39.69554 14.61553 1.000 8.19637 O ? A ? 46 O 1
   ATOM 1036 CB . VAL A 47 ? -6.65343 39.89365 11.25617 1.000 8.08800 C ? A ? 46 CB 1
   ATOM 1037 CG1 . VAL A 47 ? -5.77880 38.64060 11.55716 1.000 10.51581 C ? A ? 46 CG1 1
   ATOM 1038 CG2 . VAL A 47 ? -7.60099 39.48971 10.22365 1.000 13.06010 C ? A ? 46 CG2 1
   ATOM 1039 HA . VAL A 47 ? -7.97255 39.68476 12.80944 1.000 12.26126 H ? A ? 46 HA 1
   ATOM 1040 HB . VAL A 47 ? -6.14020 40.64850 10.92800 1.000 9.70560 H ? A ? 46 HB 1
   ATOM 1041 HG11 . VAL A 47 ? -5.57939 38.18696 10.72329 1.000 12.61897 H ? A ? 46 HG11 1
   ATOM 1042 HG12 . VAL A 47 ? -4.95556 38.92522 11.98397 1.000 12.61897 H ? A ? 46 HG12 1
   ATOM 1043 HG13 . VAL A 47 ? -6.26942 38.04739 12.14733 1.000 12.61897 H ? A ? 46 HG13 1
   ATOM 1044 HG21 . VAL A 47 ? -7.11105 39.25209 9.42091 1.000 15.67212 H ? A ? 46 HG21 1
   ATOM 1045 HG22 . VAL A 47 ? -8.10686 38.72527 10.54088 1.000 15.67212 H ? A ? 46 HG22 1
   ATOM 1046 HG23 . VAL A 47 ? -8.20058 40.22936 10.03845 1.000 15.67212 H ? A ? 46 HG23 1
   ATOM 1047 H A VAL A 47 ? -7.77064 42.07432 11.66543 0.557 10.94780 H ? A ? 46 H 1
   ATOM 1048 H B VAL A 47 ? -8.08915 41.87331 11.53086 0.443 10.94780 H ? A ? 46 H 1
   ATOM 1049 N . LEU A 48 ? -5.55421 41.59716 13.61937 1.000 8.00058 N ? A ? 47 N 1
   ATOM 1050 CA . LEU A 48 ? -4.53789 41.89746 14.63852 1.000 8.62898 C ? A ? 47 CA 1
   ATOM 1051 C . LEU A 48 ? -5.15241 42.06895 16.03656 1.000 7.65955 C ? A ? 47 C 1
   ATOM 1052 O . LEU A 48 ? -4.62190 41.55689 17.03724 1.000 8.78172 O ? A ? 47 O 1
   ATOM 1053 H . LEU A 48 ? -5.61890 42.21014 13.01965 1.000 9.60069 H ? A ? 47 H 1
   ATOM 1054 HA . LEU A 48 ? -3.92238 41.14861 14.67406 1.000 10.35477 H ? A ? 47 HA 1
   ATOM 1055 CB A LEU A 48 ? -3.71569 43.17038 14.24614 0.665 9.32750 C ? A ? 47 CB 1
   ATOM 1056 CG A LEU A 48 ? -2.67133 43.55705 15.27572 0.665 9.32552 C ? A ? 47 CG 1
   ATOM 1057 CD1 A LEU A 48 ? -1.56749 42.55276 15.47628 0.665 9.94305 C ? A ? 47 CD1 1
   ATOM 1058 CD2 A LEU A 48 ? -2.06068 44.93710 14.85378 0.665 10.94804 C ? A ? 47 CD2 1
   ATOM 1059 HB2 A LEU A 48 ? -3.25867 43.00053 13.40758 0.665 11.19300 H ? A ? 47 HB2 1
   ATOM 1060 HB3 A LEU A 48 ? -4.32606 43.91757 14.14589 0.665 11.19300 H ? A ? 47 HB3 1
   ATOM 1061 HG A LEU A 48 ? -3.11818 43.60289 16.13544 0.665 11.19063 H ? A ? 47 HG 1
   ATOM 1062 HD11 A LEU A 48 ? -0.93123 42.90661 16.11725 0.665 11.93166 H ? A ? 47 HD11 1
   ATOM 1063 HD12 A LEU A 48 ? -1.94942 41.72635 15.81105 0.665 11.93166 H ? A ? 47 HD12 1
   ATOM 1064 HD13 A LEU A 48 ? -1.12731 42.39343 14.62671 0.665 11.93166 H ? A ? 47 HD13 1
   ATOM 1065 HD21 A LEU A 48 ? -1.40028 45.20469 15.51194 0.665 13.13765 H ? A ? 47 HD21 1
   ATOM 1066 HD22 A LEU A 48 ? -1.64189 44.84437 13.98377 0.665 13.13765 H ? A ? 47 HD22 1
   ATOM 1067 HD23 A LEU A 48 ? -2.77066 45.59661 14.81053 0.665 13.13765 H ? A ? 47 HD23 1
   ATOM 1068 CB B LEU A 48 ? -3.72039 43.16217 14.27713 0.335 9.38187 C ? A ? 47 CB 1
   ATOM 1069 CG B LEU A 48 ? -2.57992 43.48507 15.25654 0.335 9.24638 C ? A ? 47 CG 1
   ATOM 1070 CD1 B LEU A 48 ? -1.67696 42.30175 15.38499 0.335 9.41942 C ? A ? 47 CD1 1
   ATOM 1071 CD2 B LEU A 48 ? -1.88522 44.78585 14.78057 0.335 11.00483 C ? A ? 47 CD2 1
   ATOM 1072 HB2 B LEU A 48 ? -3.32681 43.03463 13.39979 0.335 11.25825 H ? A ? 47 HB2 1
   ATOM 1073 HB3 B LEU A 48 ? -4.32069 43.92399 14.26389 0.335 11.25825 H ? A ? 47 HB3 1
   ATOM 1074 HG B LEU A 48 ? -2.89605 43.65670 16.15738 0.335 11.09565 H ? A ? 47 HG 1
   ATOM 1075 HD11 B LEU A 48 ? -0.88066 42.56365 15.87308 0.335 11.30331 H ? A ? 47 HD11 1
   ATOM 1076 HD12 B LEU A 48 ? -2.14309 41.59943 15.86495 0.335 11.30331 H ? A ? 47 HD12 1
   ATOM 1077 HD13 B LEU A 48 ? -1.43451 41.99180 14.49839 0.335 11.30331 H ? A ? 47 HD13 1
   ATOM 1078 HD21 B LEU A 48 ? -1.16805 45.00427 15.39610 0.335 13.20580 H ? A ? 47 HD21 1
   ATOM 1079 HD22 B LEU A 48 ? -1.52585 44.64454 13.89075 0.335 13.20580 H ? A ? 47 HD22 1
   ATOM 1080 HD23 B LEU A 48 ? -2.53700 45.50404 14.76387 0.335 13.20580 H ? A ? 47 HD23 1
   ATOM 1081 N . LYS A 49 ? -6.30450 42.69083 16.14131 1.000 8.80643 N ? A ? 48 N 1
   ATOM 1082 CA . LYS A 49 ? -7.05575 42.78213 17.39521 1.000 10.34282 C ? A ? 48 CA 1
   ATOM 1083 C . LYS A 49 ? -7.26600 41.37438 17.96694 1.000 9.26422 C ? A ? 48 C 1
   ATOM 1084 O . LYS A 49 ? -7.04729 41.14001 19.18859 1.000 9.02083 O ? A ? 48 O 1
   ATOM 1085 CB . LYS A 49 ? -8.48718 43.40891 17.10169 1.000 11.60061 C ? A ? 48 CB 1
   ATOM 1086 CG . LYS A 49 ? -9.46303 43.46705 18.30292 1.000 12.90665 C ? A ? 48 CG 1
   ATOM 1087 CD . LYS A 49 ? -10.81338 44.11474 17.92455 1.000 15.20777 C ? A ? 48 CD 1
   ATOM 1088 CE . LYS A 49 ? -11.66789 44.06222 19.18087 1.000 19.43692 C ? A ? 48 CE 1
   ATOM 1089 NZ . LYS A 49 ? -13.07618 44.39886 18.90655 1.000 27.21017 N ? A ? 48 NZ 1
   ATOM 1090 H . LYS A 49 ? -6.69691 43.08581 15.48587 1.000 10.56772 H ? A ? 48 H 1
   ATOM 1091 HA . LYS A 49 ? -6.57171 43.34004 18.02397 1.000 12.41138 H ? A ? 48 HA 1
   ATOM 1092 HB2 . LYS A 49 ? -8.36136 44.31903 16.79064 1.000 13.92073 H ? A ? 48 HB2 1
   ATOM 1093 HB3 . LYS A 49 ? -8.91437 42.87835 16.41111 1.000 13.92073 H ? A ? 48 HB3 1
   ATOM 1094 HG2 . LYS A 49 ? -9.63738 42.56571 18.61610 1.000 15.48798 H ? A ? 48 HG2 1
   ATOM 1095 HG3 . LYS A 49 ? -9.06373 43.99357 19.01301 1.000 15.48798 H ? A ? 48 HG3 1
   ATOM 1096 HD2 . LYS A 49 ? -10.68627 45.03717 17.65277 1.000 18.24932 H ? A ? 48 HD2 1
   ATOM 1097 HD3 . LYS A 49 ? -11.24491 43.61581 17.21339 1.000 18.24932 H ? A ? 48 HD3 1
   ATOM 1098 HE2 . LYS A 49 ? -11.63734 43.16582 19.55024 1.000 23.32430 H ? A ? 48 HE2 1
   ATOM 1099 HE3 . LYS A 49 ? -11.32471 44.69915 19.82697 1.000 23.32430 H ? A ? 48 HE3 1
   ATOM 1100 HZ1 . LYS A 49 ? -13.52748 43.66405 18.68636 1.000 32.65220 H ? A ? 48 HZ1 1
   ATOM 1101 HZ2 . LYS A 49 ? -13.44887 44.76109 19.62904 1.000 32.65220 H ? A ? 48 HZ2 1
   ATOM 1102 HZ3 . LYS A 49 ? -13.12484 44.98004 18.23427 1.000 32.65220 H ? A ? 48 HZ3 1
   ATOM 1103 N . THR A 50 ? -7.84658 40.48374 17.22349 1.000 8.57466 N ? A ? 49 N 1
   ATOM 1104 CA . THR A 50 ? -8.05796 39.11888 17.69724 1.000 9.53187 C ? A ? 49 CA 1
   ATOM 1105 C . THR A 50 ? -6.76613 38.48929 18.14497 1.000 6.98780 C ? A ? 49 C 1
   ATOM 1106 O . THR A 50 ? -6.69526 37.87817 19.24798 1.000 8.18784 O ? A ? 49 O 1
   ATOM 1107 CB . THR A 50 ? -8.75136 38.29268 16.60606 1.000 12.43041 C ? A ? 49 CB 1
   ATOM 1108 OG1 . THR A 50 ? -10.03725 38.90382 16.28267 1.000 15.45942 O ? A ? 49 OG1 1
   ATOM 1109 CG2 . THR A 50 ? -8.89919 36.84083 16.97965 1.000 11.81433 C ? A ? 49 CG2 1
   ATOM 1110 H . THR A 50 ? -8.13803 40.62785 16.42732 1.000 10.28959 H ? A ? 49 H 1
   ATOM 1111 HA . THR A 50 ? -8.64750 39.13369 18.46738 1.000 11.43824 H ? A ? 49 HA 1
   ATOM 1112 HB . THR A 50 ? -8.19748 38.28999 15.80976 1.000 14.91649 H ? A ? 49 HB 1
   ATOM 1113 HG1 . THR A 50 ? -9.92823 39.71113 16.07780 1.000 18.55130 H ? A ? 49 HG1 1
   ATOM 1114 HG21 . THR A 50 ? -9.53151 36.40796 16.38493 1.000 14.17720 H ? A ? 49 HG21 1
   ATOM 1115 HG22 . THR A 50 ? -8.04251 36.39131 16.90944 1.000 14.17720 H ? A ? 49 HG22 1
   ATOM 1116 HG23 . THR A 50 ? -9.22122 36.76401 17.89140 1.000 14.17720 H ? A ? 49 HG23 1
   ATOM 1117 N . LEU A 51 ? -5.77444 38.52088 17.27196 1.000 7.15464 N ? A ? 50 N 1
   ATOM 1118 CA . LEU A 51 ? -4.51574 37.84956 17.60416 1.000 8.93372 C ? A ? 50 CA 1
   ATOM 1119 C . LEU A 51 ? -3.84247 38.43482 18.81789 1.000 9.35661 C ? A ? 50 C 1
   ATOM 1120 O . LEU A 51 ? -3.22565 37.69615 19.63361 1.000 11.72885 O ? A ? 50 O 1
   ATOM 1121 CB . LEU A 51 ? -3.55591 37.89323 16.43666 1.000 9.54569 C ? A ? 50 CB 1
   ATOM 1122 CG . LEU A 51 ? -3.97893 37.25492 15.15055 1.000 9.10895 C ? A ? 50 CG 1
   ATOM 1123 CD1 . LEU A 51 ? -3.05179 37.57690 14.01272 1.000 10.92960 C ? A ? 50 CD1 1
   ATOM 1124 CD2 . LEU A 51 ? -4.08173 35.72048 15.34517 1.000 12.01887 C ? A ? 50 CD2 1
   ATOM 1125 H . LEU A 51 ? -5.79611 38.90862 16.50463 1.000 8.58557 H ? A ? 50 H 1
   ATOM 1126 HA . LEU A 51 ? -4.73319 36.92363 17.79457 1.000 10.72046 H ? A ? 50 HA 1
   ATOM 1127 HB2 . LEU A 51 ? -3.37656 38.82564 16.23832 1.000 11.45483 H ? A ? 50 HB2 1
   ATOM 1128 HB3 . LEU A 51 ? -2.73841 37.44931 16.71150 1.000 11.45483 H ? A ? 50 HB3 1
   ATOM 1129 HG . LEU A 51 ? -4.84656 37.61269 14.90536 1.000 10.93074 H ? A ? 50 HG 1
   ATOM 1130 HD11 . LEU A 51 ? -3.35907 37.11785 13.21538 1.000 13.11552 H ? A ? 50 HD11 1
   ATOM 1131 HD12 . LEU A 51 ? -3.05486 38.53550 13.86442 1.000 13.11552 H ? A ? 50 HD12 1
   ATOM 1132 HD13 . LEU A 51 ? -2.15688 37.28037 14.24096 1.000 13.11552 H ? A ? 50 HD13 1
   ATOM 1133 HD21 . LEU A 51 ? -4.20546 35.29998 14.47986 1.000 14.42265 H ? A ? 50 HD21 1
   ATOM 1134 HD22 . LEU A 51 ? -3.26377 35.39868 15.75539 1.000 14.42265 H ? A ? 50 HD22 1
   ATOM 1135 HD23 . LEU A 51 ? -4.83880 35.52498 15.91922 1.000 14.42265 H ? A ? 50 HD23 1
   ATOM 1136 N . SER A 52 ? -3.93335 39.73351 19.05893 1.000 10.54196 N ? A ? 51 N 1
   ATOM 1137 CA . SER A 52 ? -3.20793 40.39390 20.14746 1.000 11.11907 C ? A ? 51 CA 1
   ATOM 1138 C . SER A 52 ? -3.71849 40.03827 21.51552 1.000 9.56592 C ? A ? 51 C 1
   ATOM 1139 O . SER A 52 ? -3.00370 40.29186 22.47185 1.000 11.70703 O ? A ? 51 O 1
   ATOM 1140 CB . SER A 52 ? -3.23267 41.92929 19.97545 1.000 10.22672 C ? A ? 51 CB 1
   ATOM 1141 OG . SER A 52 ? -2.38705 42.24083 18.85767 1.000 17.34860 O ? A ? 51 OG 1
   ATOM 1142 H . SER A 52 ? -4.41876 40.27430 18.59901 1.000 12.65035 H ? A ? 51 H 1
   ATOM 1143 HA . SER A 52 ? -2.28604 40.09724 20.09263 1.000 13.34289 H ? A ? 51 HA 1
   ATOM 1144 HB2 . SER A 52 ? -4.13844 42.22781 19.79839 1.000 12.27206 H ? A ? 51 HB2 1
   ATOM 1145 HB3 . SER A 52 ? -2.89292 42.35748 20.77678 1.000 12.27206 H ? A ? 51 HB3 1
   ATOM 1146 HG . SER A 52 ? -2.25038 43.06891 18.82282 1.000 20.81832 H ? A ? 51 HG 1
   ATOM 1147 N . ALA A 53 ? -4.91546 39.48107 21.61884 1.000 7.92201 N ? A ? 52 N 1
   ATOM 1148 CA . ALA A 53 ? -5.44527 38.98098 22.87768 1.000 8.83068 C ? A ? 52 CA 1
   ATOM 1149 C . ALA A 53 ? -4.99120 37.52585 23.14664 1.000 7.17699 C ? A ? 52 C 1
   ATOM 1150 O . ALA A 53 ? -5.08318 37.07829 24.30030 1.000 12.17914 O ? A ? 52 O 1
   ATOM 1151 CB . ALA A 53 ? -6.95655 39.04426 22.85922 1.000 10.37460 C ? A ? 52 CB 1
   ATOM 1152 H . ALA A 53 ? -5.45455 39.37818 20.95672 1.000 9.50641 H ? A ? 52 H 1
   ATOM 1153 HA . ALA A 53 ? -5.14008 39.53999 23.60931 1.000 10.59682 H ? A ? 52 HA 1
   ATOM 1154 HB1 . ALA A 53 ? -7.29554 38.74830 23.71852 1.000 12.44951 H ? A ? 52 HB1 1
   ATOM 1155 HB2 . ALA A 53 ? -7.23230 39.95911 22.69214 1.000 12.44951 H ? A ? 52 HB2 1
   ATOM 1156 HB3 . ALA A 53 ? -7.28831 38.46501 22.15544 1.000 12.44951 H ? A ? 52 HB3 1
   ATOM 1157 N . LEU A 54 ? -4.40213 36.84805 22.29618 1.000 9.35446 N ? A ? 53 N 1
   ATOM 1158 CA . LEU A 54 ? -4.18119 35.39846 22.43055 1.000 9.42412 C ? A ? 53 CA 1
   ATOM 1159 C . LEU A 54 ? -2.95431 34.95725 23.17776 1.000 7.87756 C ? A ? 53 C 1
   ATOM 1160 O . LEU A 54 ? -3.02673 33.92257 23.91789 1.000 8.40610 O ? A ? 53 O 1
   ATOM 1161 CB . LEU A 54 ? -4.22413 34.64123 21.09730 1.000 10.80814 C ? A ? 53 CB 1
   ATOM 1162 CG . LEU A 54 ? -5.52308 34.79469 20.28144 1.000 11.69029 C ? A ? 53 CG 1
   ATOM 1163 CD1 . LEU A 54 ? -5.39400 34.09426 18.99740 1.000 12.34255 C ? A ? 53 CD1 1
   ATOM 1164 CD2 . LEU A 54 ? -6.76471 34.23344 21.02983 1.000 12.56815 C ? A ? 53 CD2 1
   ATOM 1165 H . LEU A 54 ? -4.07993 37.17197 21.56758 1.000 11.22535 H ? A ? 53 H 1
   ATOM 1166 HA . LEU A 54 ? -4.93547 35.15218 22.98850 1.000 11.30895 H ? A ? 53 HA 1
   ATOM 1167 HB2 . LEU A 54 ? -3.49579 34.96189 20.54269 1.000 12.96977 H ? A ? 53 HB2 1
   ATOM 1168 HB3 . LEU A 54 ? -4.10944 33.69582 21.28154 1.000 12.96977 H ? A ? 53 HB3 1
   ATOM 1169 HG . LEU A 54 ? -5.66502 35.74352 20.13835 1.000 14.02834 H ? A ? 53 HG 1
   ATOM 1170 HD11 . LEU A 54 ? -6.20924 34.21835 18.48663 1.000 14.81106 H ? A ? 53 HD11 1
   ATOM 1171 HD12 . LEU A 54 ? -4.63976 34.46254 18.51120 1.000 14.81106 H ? A ? 53 HD12 1
   ATOM 1172 HD13 . LEU A 54 ? -5.24972 33.14997 19.16588 1.000 14.81106 H ? A ? 53 HD13 1
   ATOM 1173 HD21 . LEU A 54 ? -7.50567 34.16776 20.40728 1.000 15.08178 H ? A ? 53 HD21 1
   ATOM 1174 HD22 . LEU A 54 ? -6.55055 33.35573 21.38291 1.000 15.08178 H ? A ? 53 HD22 1
   ATOM 1175 HD23 . LEU A 54 ? -6.99461 34.83478 21.75539 1.000 15.08178 H ? A ? 53 HD23 1
   ATOM 1176 N . PRO A 55 ? -1.80585 35.61005 23.09570 1.000 8.14575 N ? A ? 54 N 1
   ATOM 1177 CA . PRO A 55 ? -0.60528 35.00534 23.72712 1.000 7.67639 C ? A ? 54 CA 1
   ATOM 1178 C . PRO A 55 ? -0.74803 34.85997 25.20986 1.000 8.64388 C ? A ? 54 C 1
   ATOM 1179 O . PRO A 55 ? -0.13455 33.93024 25.81153 1.000 8.05798 O ? A ? 54 O 1
   ATOM 1180 CB . PRO A 55 ? 0.55838 35.95034 23.36658 1.000 8.45154 C ? A ? 54 CB 1
   ATOM 1181 CG . PRO A 55 ? 0.08042 36.65458 22.04136 1.000 9.64100 C ? A ? 54 CG 1
   ATOM 1182 CD . PRO A 55 ? -1.49195 36.78890 22.23099 1.000 9.37792 C ? A ? 54 CD 1
   ATOM 1183 HA . PRO A 55 ? -0.43417 34.14518 23.31269 1.000 9.21167 H ? A ? 54 HA 1
   ATOM 1184 HB2 . PRO A 55 ? 0.69671 36.59629 24.07687 1.000 10.14185 H ? A ? 54 HB2 1
   ATOM 1185 HB3 . PRO A 55 ? 1.37008 35.44002 23.21954 1.000 10.14185 H ? A ? 54 HB3 1
   ATOM 1186 HG2 . PRO A 55 ? 0.49928 37.52510 21.95395 1.000 11.56920 H ? A ? 54 HG2 1
   ATOM 1187 HG3 . PRO A 55 ? 0.29568 36.10410 21.27224 1.000 11.56920 H ? A ? 54 HG3 1
   ATOM 1188 HD2 . PRO A 55 ? -1.72076 37.61983 22.67607 1.000 11.25350 H ? A ? 54 HD2 1
   ATOM 1189 HD3 . PRO A 55 ? -1.95307 36.73069 21.37959 1.000 11.25350 H ? A ? 54 HD3 1
   ATOM 1190 N A TRP A 56 ? -1.44362 35.81579 25.83887 0.605 8.62556 N ? A ? 55 N 1
   ATOM 1191 CA A TRP A 56 ? -1.31549 36.03027 27.27345 0.605 9.98331 C ? A ? 55 CA 1
   ATOM 1192 C A TRP A 56 ? -1.85078 34.84884 28.11087 0.605 9.08715 C ? A ? 55 C 1
   ATOM 1193 O A TRP A 56 ? -1.43230 34.69182 29.24602 0.605 14.52721 O ? A ? 55 O 1
   ATOM 1194 CB A TRP A 56 ? -1.77688 37.49642 27.71298 0.605 9.04165 C ? A ? 55 CB 1
   ATOM 1195 CG A TRP A 56 ? -1.39301 38.47113 26.63931 0.605 8.70229 C ? A ? 55 CG 1
   ATOM 1196 CD1 A TRP A 56 ? -2.27411 39.11996 25.77192 0.605 9.59168 C ? A ? 55 CD1 1
   ATOM 1197 CD2 A TRP A 56 ? -0.07658 38.65308 26.06627 0.605 7.80047 C ? A ? 55 CD2 1
   ATOM 1198 NE1 A TRP A 56 ? -1.56723 39.77504 24.80084 0.605 9.44552 N ? A ? 55 NE1 1
   ATOM 1199 CE2 A TRP A 56 ? -0.22841 39.48157 24.93968 0.605 8.16876 C ? A ? 55 CE2 1
   ATOM 1200 CE3 A TRP A 56 ? 1.23920 38.22533 26.39699 0.605 7.88636 C ? A ? 55 CE3 1
   ATOM 1201 CZ2 A TRP A 56 ? 0.84277 39.84170 24.14824 0.605 5.97006 C ? A ? 55 CZ2 1
   ATOM 1202 CZ3 A TRP A 56 ? 2.30510 38.60488 25.57198 0.605 8.13282 C ? A ? 55 CZ3 1
   ATOM 1203 CH2 A TRP A 56 ? 2.07840 39.40817 24.49245 0.605 6.60989 C ? A ? 55 CH2 1
   ATOM 1204 H A TRP A 56 ? -1.99531 36.35107 25.45324 0.605 10.35067 H ? A ? 55 H 1
   ATOM 1205 HA A TRP A 56 ? -0.37429 36.04776 27.50744 0.605 11.97998 H ? A ? 55 HA 1
   ATOM 1206 HB2 A TRP A 56 ? -2.73952 37.51837 27.83026 0.605 10.84998 H ? A ? 55 HB2 1
   ATOM 1207 HB3 A TRP A 56 ? -1.33613 37.74729 28.53984 0.605 10.84998 H ? A ? 55 HB3 1
   ATOM 1208 HD1 A TRP A 56 ? -3.20128 39.10853 25.84348 0.605 11.51002 H ? A ? 55 HD1 1
   ATOM 1209 HE1 A TRP A 56 ? -1.90502 40.28849 24.19928 0.605 11.33462 H ? A ? 55 HE1 1
   ATOM 1210 HE3 A TRP A 56 ? 1.38934 37.70110 27.15035 0.605 9.46364 H ? A ? 55 HE3 1
   ATOM 1211 HZ2 A TRP A 56 ? 0.71866 40.37129 23.39390 0.605 7.16407 H ? A ? 55 HZ2 1
   ATOM 1212 HZ3 A TRP A 56 ? 3.16682 38.30972 25.75964 0.605 9.75938 H ? A ? 55 HZ3 1
   ATOM 1213 HH2 A TRP A 56 ? 2.80314 39.66884 23.97120 0.605 7.93187 H ? A ? 55 HH2 1
   ATOM 1214 N B TRP A 56 ? -1.34534 35.84458 25.91296 0.395 8.77473 N ? A ? 55 N 1
   ATOM 1215 CA B TRP A 56 ? -1.15495 35.96686 27.36893 0.395 9.63430 C ? A ? 55 CA 1
   ATOM 1216 C B TRP A 56 ? -1.62179 34.69586 28.12601 0.395 7.80652 C ? A ? 55 C 1
   ATOM 1217 O B TRP A 56 ? -0.97980 34.30707 29.17311 0.395 6.37775 O ? A ? 55 O 1
   ATOM 1218 CB B TRP A 56 ? -1.78072 37.33446 27.86243 0.395 10.55944 C ? A ? 55 CB 1
   ATOM 1219 CG B TRP A 56 ? -1.58143 38.34951 26.84435 0.395 9.38454 C ? A ? 55 CG 1
   ATOM 1220 CD1 B TRP A 56 ? -2.56288 38.98098 26.12944 0.395 8.38433 C ? A ? 55 CD1 1
   ATOM 1221 CD2 B TRP A 56 ? -0.33596 38.71539 26.25413 0.395 7.23384 C ? A ? 55 CD2 1
   ATOM 1222 NE1 B TRP A 56 ? -1.99581 39.74995 25.16584 0.395 7.33169 N ? A ? 55 NE1 1
   ATOM 1223 CE2 B TRP A 56 ? -0.62704 39.60704 25.22293 0.395 8.23101 C ? A ? 55 CE2 1
   ATOM 1224 CE3 B TRP A 56 ? 1.01431 38.40779 26.53275 0.395 9.12087 C ? A ? 55 CE3 1
   ATOM 1225 CZ2 B TRP A 56 ? 0.36769 40.14787 24.41899 0.395 11.12132 C ? A ? 55 CZ2 1
   ATOM 1226 CZ3 B TRP A 56 ? 1.97947 38.93226 25.76022 0.395 9.15948 C ? A ? 55 CZ3 1
   ATOM 1227 CH2 B TRP A 56 ? 1.64215 39.77317 24.65032 0.395 8.78308 C ? A ? 55 CH2 1
   ATOM 1228 H B TRP A 56 ? -1.85847 36.44553 25.57360 0.395 10.52967 H ? A ? 55 H 1
   ATOM 1229 HA B TRP A 56 ? -0.21303 36.02499 27.59325 0.395 11.56116 H ? A ? 55 HA 1
   ATOM 1230 HB2 B TRP A 56 ? -2.73233 37.22458 28.01499 0.395 12.67132 H ? A ? 55 HB2 1
   ATOM 1231 HB3 B TRP A 56 ? -1.34433 37.61954 28.68047 0.395 12.67132 H ? A ? 55 HB3 1
   ATOM 1232 HD1 B TRP A 56 ? -3.47660 38.89624 26.28058 0.395 10.06119 H ? A ? 55 HD1 1
   ATOM 1233 HE1 B TRP A 56 ? -2.42269 40.24693 24.60872 0.395 8.79803 H ? A ? 55 HE1 1
   ATOM 1234 HE3 B TRP A 56 ? 1.23237 37.84847 27.24304 0.395 10.94504 H ? A ? 55 HE3 1
   ATOM 1235 HZ2 B TRP A 56 ? 0.16108 40.75041 23.74138 0.395 13.34559 H ? A ? 55 HZ2 1
   ATOM 1236 HZ3 B TRP A 56 ? 2.87187 38.74860 25.94672 0.395 10.99138 H ? A ? 55 HZ3 1
   ATOM 1237 HH2 B TRP A 56 ? 2.31478 40.06603 24.07875 0.395 10.53970 H ? A ? 55 HH2 1
   ATOM 1238 N . ALA A 57 ? -2.79498 34.13937 27.67031 1.000 9.91195 N ? A ? 56 N 1
   ATOM 1239 CA . ALA A 57 ? -3.35995 32.98624 28.35953 1.000 10.99343 C ? A ? 56 CA 1
   ATOM 1240 C . ALA A 57 ? -2.52726 31.76293 28.21467 1.000 9.52373 C ? A ? 56 C 1
   ATOM 1241 O . ALA A 57 ? -2.75150 30.77171 28.97301 1.000 11.07416 O ? A ? 56 O 1
   ATOM 1242 CB . ALA A 57 ? -4.71093 32.69305 27.80827 1.000 16.39138 C ? A ? 56 CB 1
   ATOM 1243 HA . ALA A 57 ? -3.43523 33.20041 29.30259 1.000 13.19212 H ? A ? 56 HA 1
   ATOM 1244 HB1 . ALA A 57 ? -5.08660 31.93349 28.28032 1.000 19.66965 H ? A ? 56 HB1 1
   ATOM 1245 HB2 . ALA A 57 ? -5.27728 33.47111 27.92981 1.000 19.66965 H ? A ? 56 HB2 1
   ATOM 1246 HB3 . ALA A 57 ? -4.62891 32.48792 26.86377 1.000 19.66965 H ? A ? 56 HB3 1
   ATOM 1247 H A ALA A 57 ? -3.18164 34.28731 26.91652 0.605 11.89434 H ? A ? 56 H 1
   ATOM 1248 H B ALA A 57 ? -3.24449 34.41707 26.99176 0.395 11.89434 H ? A ? 56 H 1
   ATOM 1249 N . ALA A 58 ? -1.45589 31.79891 27.43541 1.000 8.28239 N ? A ? 57 N 1
   ATOM 1250 CA . ALA A 58 ? -0.51480 30.71040 27.29314 1.000 7.77887 C ? A ? 57 CA 1
   ATOM 1251 C . ALA A 58 ? 0.77075 30.95029 28.06694 1.000 7.07996 C ? A ? 57 C 1
   ATOM 1252 O . ALA A 58 ? 1.76135 30.23689 27.87380 1.000 8.25731 O ? A ? 57 O 1
   ATOM 1253 CB . ALA A 58 ? -0.27797 30.46779 25.81032 1.000 8.66859 C ? A ? 57 CB 1
   ATOM 1254 H . ALA A 58 ? -1.24567 32.48103 26.95572 1.000 9.93887 H ? A ? 57 H 1
   ATOM 1255 HA . ALA A 58 ? -0.88345 29.89252 27.66201 1.000 9.33465 H ? A ? 57 HA 1
   ATOM 1256 HB1 . ALA A 58 ? 0.39042 29.77248 25.70689 1.000 10.40231 H ? A ? 57 HB1 1
   ATOM 1257 HB2 . ALA A 58 ? -1.11113 30.18955 25.39883 1.000 10.40231 H ? A ? 57 HB2 1
   ATOM 1258 HB3 . ALA A 58 ? 0.03431 31.29022 25.40169 1.000 10.40231 H ? A ? 57 HB3 1
   ATOM 1259 N . PHE A 59 ? 0.75663 31.88997 29.02599 1.000 8.13098 N ? A ? 58 N 1
   ATOM 1260 CA . PHE A 59 ? 1.81305 32.02120 30.03966 1.000 8.07503 C ? A ? 58 CA 1
   ATOM 1261 C . PHE A 59 ? 1.23083 31.68917 31.42518 1.000 9.30395 C ? A ? 58 C 1
   ATOM 1262 O . PHE A 59 ? 1.50598 32.37514 32.42919 1.000 10.32358 O ? A ? 58 O 1
   ATOM 1263 CB . PHE A 59 ? 2.41647 33.41590 30.04948 1.000 9.23191 C ? A ? 58 CB 1
   ATOM 1264 CG . PHE A 59 ? 3.15287 33.84681 28.77269 1.000 8.71941 C ? A ? 58 CG 1
   ATOM 1265 CD1 . PHE A 59 ? 2.49781 34.42181 27.71045 1.000 9.76312 C ? A ? 58 CD1 1
   ATOM 1266 CD2 . PHE A 59 ? 4.48618 33.71332 28.67638 1.000 9.40793 C ? A ? 58 CD2 1
   ATOM 1267 CE1 . PHE A 59 ? 3.16361 34.92472 26.60884 1.000 9.77298 C ? A ? 58 CE1 1
   ATOM 1268 CE2 . PHE A 59 ? 5.17107 34.17148 27.58891 1.000 10.74894 C ? A ? 58 CE2 1
   ATOM 1269 CZ . PHE A 59 ? 4.47728 34.78800 26.49801 1.000 9.05157 C ? A ? 58 CZ 1
   ATOM 1270 H . PHE A 59 ? 0.13121 32.47429 29.10981 1.000 9.75718 H ? A ? 58 H 1
   ATOM 1271 HA . PHE A 59 ? 2.53287 31.40692 29.82653 1.000 9.69003 H ? A ? 58 HA 1
   ATOM 1272 HB2 . PHE A 59 ? 1.70039 34.05386 30.19487 1.000 11.07830 H ? A ? 58 HB2 1
   ATOM 1273 HB3 . PHE A 59 ? 3.05588 33.46330 30.77736 1.000 11.07830 H ? A ? 58 HB3 1
   ATOM 1274 HD1 . PHE A 59 ? 1.56961 34.47463 27.73378 1.000 11.71575 H ? A ? 58 HD1 1
   ATOM 1275 HD2 . PHE A 59 ? 4.95270 33.29943 29.36628 1.000 11.28951 H ? A ? 58 HD2 1
   ATOM 1276 HE1 . PHE A 59 ? 2.68673 35.36200 25.94081 1.000 11.72757 H ? A ? 58 HE1 1
   ATOM 1277 HE2 . PHE A 59 ? 6.09622 34.08270 27.55572 1.000 12.89873 H ? A ? 58 HE2 1
   ATOM 1278 HZ . PHE A 59 ? 4.93112 35.08110 25.74102 1.000 10.86189 H ? A ? 58 HZ 1
   ATOM 1279 N . GLY A 60 ? 0.42333 30.69004 31.49461 1.000 9.03670 N ? A ? 59 N 1
   ATOM 1280 CA . GLY A 60 ? -0.19254 30.30195 32.75744 1.000 10.82825 C ? A ? 59 CA 1
   ATOM 1281 C . GLY A 60 ? 0.76941 29.63475 33.69979 1.000 10.40263 C ? A ? 59 C 1
   ATOM 1282 O . GLY A 60 ? 1.92227 29.42896 33.38832 1.000 10.65282 O ? A ? 59 O 1
   ATOM 1283 H . GLY A 60 ? 0.19828 30.19883 30.82554 1.000 10.84404 H ? A ? 59 H 1
   ATOM 1284 HA2 . GLY A 60 ? -0.54682 31.09174 33.19518 1.000 12.99390 H ? A ? 59 HA2 1
   ATOM 1285 HA3 . GLY A 60 ? -0.92035 29.68550 32.58084 1.000 12.99390 H ? A ? 59 HA3 1
   ATOM 1286 N . PRO A 61 ? 0.33070 29.39635 34.95519 1.000 13.52578 N ? A ? 60 N 1
   ATOM 1287 CA . PRO A 61 ? 1.19027 28.73171 35.95353 1.000 13.53811 C ? A ? 60 CA 1
   ATOM 1288 C . PRO A 61 ? 1.85153 27.46784 35.41534 1.000 11.14006 C ? A ? 60 C 1
   ATOM 1289 O . PRO A 61 ? 1.21688 26.64464 34.80417 1.000 15.77749 O ? A ? 60 O 1
   ATOM 1290 CB . PRO A 61 ? 0.24233 28.47610 37.14038 1.000 14.02367 C ? A ? 60 CB 1
   ATOM 1291 CG . PRO A 61 ? -0.87977 29.46550 36.95428 1.000 16.16430 C ? A ? 60 CG 1
   ATOM 1292 CD . PRO A 61 ? -1.02373 29.67096 35.49966 1.000 15.93281 C ? A ? 60 CD 1
   ATOM 1293 HA . PRO A 61 ? 1.89316 29.33371 36.24412 1.000 16.24573 H ? A ? 60 HA 1
   ATOM 1294 HB2 . PRO A 61 ? -0.08844 27.56475 37.10987 1.000 16.82840 H ? A ? 60 HB2 1
   ATOM 1295 HB3 . PRO A 61 ? 0.70880 28.63191 37.97646 1.000 16.82840 H ? A ? 60 HB3 1
   ATOM 1296 HG2 . PRO A 61 ? -1.69729 29.10282 37.32980 1.000 19.39716 H ? A ? 60 HG2 1
   ATOM 1297 HG3 . PRO A 61 ? -0.65332 30.29916 37.39546 1.000 19.39716 H ? A ? 60 HG3 1
   ATOM 1298 HD2 . PRO A 61 ? -1.67241 29.05180 35.12987 1.000 19.11937 H ? A ? 60 HD2 1
   ATOM 1299 HD3 . PRO A 61 ? -1.29000 30.58389 35.30843 1.000 19.11937 H ? A ? 60 HD3 1
   ATOM 1300 N . GLY A 62 ? 3.12951 27.36353 35.65343 1.000 14.45785 N ? A ? 61 N 1
   ATOM 1301 CA . GLY A 62 ? 3.71206 26.08616 35.25764 1.000 14.45626 C ? A ? 61 CA 1
   ATOM 1302 C . GLY A 62 ? 4.33252 26.04787 33.86590 1.000 14.17793 C ? A ? 61 C 1
   ATOM 1303 O . GLY A 62 ? 4.77108 24.98799 33.44240 1.000 14.57216 O ? A ? 61 O 1
   ATOM 1304 H . GLY A 62 ? 3.64304 27.95482 36.00875 1.000 17.34943 H ? A ? 61 H 1
   ATOM 1305 HA2 . GLY A 62 ? 4.40647 25.85448 35.89406 1.000 17.34751 H ? A ? 61 HA2 1
   ATOM 1306 HA3 . GLY A 62 ? 3.01793 25.40924 35.28727 1.000 17.34751 H ? A ? 61 HA3 1
   ATOM 1307 N . THR A 63 ? 4.07390 27.07965 33.01093 1.000 11.91189 N ? A ? 62 N 1
   ATOM 1308 CA . THR A 63 ? 4.39993 27.12712 31.59381 1.000 10.96006 C ? A ? 62 CA 1
   ATOM 1309 C . THR A 63 ? 5.74946 27.77744 31.28654 1.000 9.88839 C ? A ? 62 C 1
   ATOM 1310 O . THR A 63 ? 5.97568 28.21467 30.14170 1.000 8.86969 O ? A ? 62 O 1
   ATOM 1311 CB . THR A 63 ? 3.24346 27.71200 30.76375 1.000 11.44060 C ? A ? 62 CB 1
   ATOM 1312 OG1 . THR A 63 ? 3.20238 29.08683 30.95779 1.000 9.39071 O ? A ? 62 OG1 1
   ATOM 1313 CG2 . THR A 63 ? 1.91268 26.95974 30.93571 1.000 12.83211 C ? A ? 62 CG2 1
   ATOM 1314 H . THR A 63 ? 3.68339 27.80222 33.26590 1.000 14.29427 H ? A ? 62 H 1
   ATOM 1315 HA . THR A 63 ? 4.49559 26.21036 31.29165 1.000 13.15207 H ? A ? 62 HA 1
   ATOM 1316 HB . THR A 63 ? 3.39888 27.57466 29.81618 1.000 13.72872 H ? A ? 62 HB 1
   ATOM 1317 HG1 . THR A 63 ? 2.60684 29.42769 30.47329 1.000 11.26885 H ? A ? 62 HG1 1
   ATOM 1318 HG21 . THR A 63 ? 1.23426 27.35056 30.36308 1.000 15.39853 H ? A ? 62 HG21 1
   ATOM 1319 HG22 . THR A 63 ? 2.02606 26.02629 30.69754 1.000 15.39853 H ? A ? 62 HG22 1
   ATOM 1320 HG23 . THR A 63 ? 1.61672 27.01565 31.85776 1.000 15.39853 H ? A ? 62 HG23 1
   ATOM 1321 N . GLU A 64 ? 6.68212 27.76353 32.22696 1.000 10.34827 N ? A ? 63 N 1
   ATOM 1322 CA . GLU A 64 ? 8.01512 28.25272 31.99555 1.000 9.56748 C ? A ? 63 CA 1
   ATOM 1323 C . GLU A 64 ? 8.66059 27.46533 30.82654 1.000 11.25085 C ? A ? 63 C 1
   ATOM 1324 O . GLU A 64 ? 8.43008 26.26358 30.69940 1.000 11.44741 O ? A ? 63 O 1
   ATOM 1325 CB . GLU A 64 ? 8.74430 28.02401 33.27500 1.000 10.94165 C ? A ? 63 CB 1
   ATOM 1326 CG . GLU A 64 ? 8.37919 28.94701 34.46701 1.000 15.30488 C ? A ? 63 CG 1
   ATOM 1327 CD . GLU A 64 ? 7.12277 28.58519 35.16107 1.000 9.85253 C ? A ? 63 CD 1
   ATOM 1328 OE1 . GLU A 64 ? 6.57094 29.45983 35.94297 1.000 17.10873 O ? A ? 63 OE1 1
   ATOM 1329 OE2 . GLU A 64 ? 6.49117 27.56317 35.06385 1.000 14.17941 O ? A ? 63 OE2 1
   ATOM 1330 H . GLU A 64 ? 6.55894 27.46740 33.02492 1.000 12.41792 H ? A ? 63 H 1
   ATOM 1331 HA . GLU A 64 ? 8.04824 29.19055 31.75003 1.000 11.48097 H ? A ? 63 HA 1
   ATOM 1332 HB2 . GLU A 64 ? 8.57078 27.11312 33.55972 1.000 13.12998 H ? A ? 63 HB2 1
   ATOM 1333 HB3 . GLU A 64 ? 9.69177 28.14370 33.10507 1.000 13.12998 H ? A ? 63 HB3 1
   ATOM 1334 HG2 . GLU A 64 ? 9.09571 28.90752 35.11965 1.000 18.36586 H ? A ? 63 HG2 1
   ATOM 1335 HG3 . GLU A 64 ? 8.28046 29.85385 34.13719 1.000 18.36586 H ? A ? 63 HG3 1
   ATOM 1336 N . GLY A 65 ? 9.43689 28.17015 29.99944 1.000 11.77530 N ? A ? 64 N 1
   ATOM 1337 CA . GLY A 65 ? 10.05007 27.56983 28.81434 1.000 12.64579 C ? A ? 64 CA 1
   ATOM 1338 C . GLY A 65 ? 10.22182 28.62078 27.71897 1.000 10.86679 C ? A ? 64 C 1
   ATOM 1339 O . GLY A 65 ? 9.91231 29.82967 27.88562 1.000 12.54799 O ? A ? 64 O 1
   ATOM 1340 H . GLY A 65 ? 9.62447 29.00290 30.10405 1.000 14.13036 H ? A ? 64 H 1
   ATOM 1341 HA2 . GLY A 65 ? 10.92061 27.20703 29.04112 1.000 15.17495 H ? A ? 64 HA2 1
   ATOM 1342 HA3 . GLY A 65 ? 9.48765 26.85455 28.47825 1.000 15.17495 H ? A ? 64 HA3 1
   ATOM 1343 N . GLY A 66 ? 10.78258 28.16825 26.60450 1.000 12.49922 N ? A ? 65 N 1
   ATOM 1344 CA . GLY A 66 ? 10.96573 29.08887 25.50377 1.000 12.07572 C ? A ? 65 CA 1
   ATOM 1345 C . GLY A 66 ? 11.89068 30.20835 25.86930 1.000 13.38287 C ? A ? 65 C 1
   ATOM 1346 O . GLY A 66 ? 12.80633 30.06204 26.69797 1.000 15.83975 O ? A ? 65 O 1
   ATOM 1347 H . GLY A 66 ? 11.05382 27.36339 26.46948 1.000 14.99906 H ? A ? 65 H 1
   ATOM 1348 HA2 . GLY A 66 ? 11.33900 28.61555 24.74381 1.000 14.49086 H ? A ? 65 HA2 1
   ATOM 1349 HA3 . GLY A 66 ? 10.10879 29.46644 25.25079 1.000 14.49086 H ? A ? 65 HA3 1
   ATOM 1350 N . ASP A 67 ? 11.64892 31.36024 25.27308 1.000 11.51625 N ? A ? 66 N 1
   ATOM 1351 CA . ASP A 67 ? 12.34397 32.57898 25.62003 1.000 12.07463 C ? A ? 66 CA 1
   ATOM 1352 C . ASP A 67 ? 11.60840 33.46268 26.53587 1.000 12.73958 C ? A ? 66 C 1
   ATOM 1353 O . ASP A 67 ? 11.93329 34.63637 26.57786 1.000 15.32580 O ? A ? 66 O 1
   ATOM 1354 CB . ASP A 67 ? 12.69717 33.26878 24.29741 1.000 15.64013 C ? A ? 66 CB 1
   ATOM 1355 CG . ASP A 67 ? 13.82246 32.47479 23.51122 1.000 22.61288 C ? A ? 66 CG 1
   ATOM 1356 OD1 . ASP A 67 ? 14.69272 31.84999 24.23182 1.000 31.57187 O ? A ? 66 OD1 1
   ATOM 1357 OD2 . ASP A 67 ? 13.92757 32.52749 22.28438 1.000 30.62945 O ? A ? 66 OD2 1
   ATOM 1358 H . ASP A 67 ? 11.06912 31.46207 24.64613 1.000 13.81950 H ? A ? 66 H 1
   ATOM 1359 HA . ASP A 67 ? 13.15275 32.37410 26.11480 1.000 14.48956 H ? A ? 66 HA 1
   ATOM 1360 HB2 . ASP A 67 ? 11.90653 33.31290 23.73719 1.000 18.76815 H ? A ? 66 HB2 1
   ATOM 1361 HB3 . ASP A 67 ? 13.02514 34.16332 24.47943 1.000 18.76815 H ? A ? 66 HB3 1
   ATOM 1362 N . ALA A 68 ? 10.74319 32.94760 27.35081 1.000 12.05438 N ? A ? 67 N 1
   ATOM 1363 CA . ALA A 68 ? 10.04471 33.71828 28.36038 1.000 11.79724 C ? A ? 67 CA 1
   ATOM 1364 C . ALA A 68 ? 10.92673 33.84091 29.59968 1.000 12.97128 C ? A ? 67 C 1
   ATOM 1365 O . ALA A 68 ? 11.30273 32.80376 30.20960 1.000 14.76069 O ? A ? 67 O 1
   ATOM 1366 CB . ALA A 68 ? 8.79679 32.97390 28.74242 1.000 12.61615 C ? A ? 67 CB 1
   ATOM 1367 H . ALA A 68 ? 10.52323 32.11621 27.35037 1.000 14.46526 H ? A ? 67 H 1
   ATOM 1368 HA . ALA A 68 ? 9.82827 34.60269 28.02590 1.000 14.15669 H ? A ? 67 HA 1
   ATOM 1369 HB1 . ALA A 68 ? 8.33575 33.46693 29.43902 1.000 15.13938 H ? A ? 67 HB1 1
   ATOM 1370 HB2 . ALA A 68 ? 8.22640 32.89224 27.96211 1.000 15.13938 H ? A ? 67 HB2 1
   ATOM 1371 HB3 . ALA A 68 ? 9.04133 32.09314 29.06703 1.000 15.13938 H ? A ? 67 HB3 1
   ATOM 1372 N . ARG A 69 ? 11.14737 35.04977 30.13286 1.000 11.83405 N ? A ? 68 N 1
   ATOM 1373 CA . ARG A 69 ? 11.89046 35.18228 31.39880 1.000 11.81724 C ? A ? 68 CA 1
   ATOM 1374 C . ARG A 69 ? 11.01326 34.74834 32.55515 1.000 13.40478 C ? A ? 68 C 1
   ATOM 1375 O . ARG A 69 ? 9.81770 34.96840 32.60035 1.000 12.12617 O ? A ? 68 O 1
   ATOM 1376 H . ARG A 69 ? 10.88442 35.79393 29.79127 1.000 14.20086 H ? A ? 68 H 1
   ATOM 1377 HA . ARG A 69 ? 12.68639 34.62787 31.39405 1.000 14.18068 H ? A ? 68 HA 1
   ATOM 1378 CB A ARG A 69 ? 12.29359 36.65344 31.58264 0.575 13.88717 C ? A ? 68 CB 1
   ATOM 1379 CG A ARG A 69 ? 13.41265 36.97345 30.68329 0.575 13.68374 C ? A ? 68 CG 1
   ATOM 1380 CD A ARG A 69 ? 14.00584 38.42878 30.78431 0.575 18.83202 C ? A ? 68 CD 1
   ATOM 1381 NE A ARG A 69 ? 14.58214 38.72915 32.09804 0.575 27.08696 N ? A ? 68 NE 1
   ATOM 1382 CZ A ARG A 69 ? 15.21574 39.85765 32.40266 0.575 25.45833 C ? A ? 68 CZ 1
   ATOM 1383 NH1 A ARG A 69 ? 15.38836 40.80418 31.49021 0.575 27.76636 N ? A ? 68 NH1 1
   ATOM 1384 NH2 A ARG A 69 ? 15.66008 40.04251 33.65555 0.575 25.27172 N ? A ? 68 NH2 1
   ATOM 1385 HB2 A ARG A 69 ? 11.54298 37.22857 31.36649 0.575 16.66460 H ? A ? 68 HB2 1
   ATOM 1386 HB3 A ARG A 69 ? 12.57423 36.80450 32.49878 0.575 16.66460 H ? A ? 68 HB3 1
   ATOM 1387 HG2 A ARG A 69 ? 14.13813 36.35850 30.87412 0.575 16.42049 H ? A ? 68 HG2 1
   ATOM 1388 HG3 A ARG A 69 ? 13.10873 36.85474 29.76981 0.575 16.42049 H ? A ? 68 HG3 1
   ATOM 1389 HD2 A ARG A 69 ? 14.70715 38.52905 30.12173 0.575 22.59842 H ? A ? 68 HD2 1
   ATOM 1390 HD3 A ARG A 69 ? 13.29706 39.06944 30.61674 0.575 22.59842 H ? A ? 68 HD3 1
   ATOM 1391 HE A ARG A 69 ? 14.50515 38.13437 32.71441 0.575 32.50435 H ? A ? 68 HE 1
   ATOM 1392 HH11 A ARG A 69 ? 15.08917 40.69151 30.69184 0.575 33.31963 H ? A ? 68 HH11 1
   ATOM 1393 HH12 A ARG A 69 ? 15.79950 41.53074 31.69680 0.575 33.31963 H ? A ? 68 HH12 1
   ATOM 1394 HH21 A ARG A 69 ? 15.53374 39.43468 34.25068 0.575 30.32606 H ? A ? 68 HH21 1
   ATOM 1395 HH22 A ARG A 69 ? 16.07115 40.76880 33.86323 0.575 30.32606 H ? A ? 68 HH22 1
   ATOM 1396 CB B ARG A 69 ? 12.30238 36.64668 31.59887 0.425 14.00373 C ? A ? 68 CB 1
   ATOM 1397 CG B ARG A 69 ? 13.40808 37.01796 30.67287 0.425 13.82475 C ? A ? 68 CG 1
   ATOM 1398 CD B ARG A 69 ? 14.15032 38.36992 31.04542 0.425 18.74073 C ? A ? 68 CD 1
   ATOM 1399 NE B ARG A 69 ? 15.19757 38.73419 30.09843 0.425 18.23938 N ? A ? 68 NE 1
   ATOM 1400 CZ B ARG A 69 ? 15.25164 39.88914 29.45244 0.425 24.07987 C ? A ? 68 CZ 1
   ATOM 1401 NH1 B ARG A 69 ? 14.33862 40.82634 29.63476 0.425 24.24796 N ? A ? 68 NH1 1
   ATOM 1402 NH2 B ARG A 69 ? 16.25106 40.11870 28.59997 0.425 28.98216 N ? A ? 68 NH2 1
   ATOM 1403 HB2 B ARG A 69 ? 11.54316 37.22309 31.41934 0.425 16.80448 H ? A ? 68 HB2 1
   ATOM 1404 HB3 B ARG A 69 ? 12.60772 36.77455 32.51064 0.425 16.80448 H ? A ? 68 HB3 1
   ATOM 1405 HG2 B ARG A 69 ? 14.07025 36.30918 30.68075 0.425 16.58970 H ? A ? 68 HG2 1
   ATOM 1406 HG3 B ARG A 69 ? 13.04325 37.12122 29.78004 0.425 16.58970 H ? A ? 68 HG3 1
   ATOM 1407 HD2 B ARG A 69 ? 13.50099 39.09033 31.06211 0.425 22.48887 H ? A ? 68 HD2 1
   ATOM 1408 HD3 B ARG A 69 ? 14.56036 38.27257 31.91908 0.425 22.48887 H ? A ? 68 HD3 1
   ATOM 1409 HE B ARG A 69 ? 15.82136 38.16120 29.94952 0.425 21.88725 H ? A ? 68 HE 1
   ATOM 1410 HH11 B ARG A 69 ? 13.68982 40.69365 30.18343 0.425 29.09756 H ? A ? 68 HH11 1
   ATOM 1411 HH12 B ARG A 69 ? 14.39306 41.56914 29.20477 0.425 29.09756 H ? A ? 68 HH12 1
   ATOM 1412 HH21 B ARG A 69 ? 16.85428 39.51901 28.47305 0.425 34.77859 H ? A ? 68 HH21 1
   ATOM 1413 HH22 B ARG A 69 ? 16.29239 40.86642 28.17712 0.425 34.77859 H ? A ? 68 HH22 1
   ATOM 1414 N . PRO A 70 ? 11.64520 34.21133 33.65596 1.000 13.76420 N ? A ? 69 N 1
   ATOM 1415 CA . PRO A 70 ? 10.88699 33.77436 34.84872 1.000 11.71146 C ? A ? 69 CA 1
   ATOM 1416 C . PRO A 70 ? 10.17417 34.85660 35.56255 1.000 8.31878 C ? A ? 69 C 1
   ATOM 1417 O . PRO A 70 ? 9.17349 34.67125 36.20267 1.000 11.20569 O ? A ? 69 O 1
   ATOM 1418 CB . PRO A 70 ? 11.94015 33.09581 35.76315 1.000 12.06327 C ? A ? 69 CB 1
   ATOM 1419 CG . PRO A 70 ? 13.22750 33.13354 34.98664 1.000 16.45774 C ? A ? 69 CG 1
   ATOM 1420 CD . PRO A 70 ? 13.00047 33.60675 33.57627 1.000 16.13241 C ? A ? 69 CD 1
   ATOM 1421 HA . PRO A 70 ? 10.24438 33.10476 34.56662 1.000 14.05375 H ? A ? 69 HA 1
   ATOM 1422 HB2 . PRO A 70 ? 12.02246 33.59120 36.59304 1.000 14.47592 H ? A ? 69 HB2 1
   ATOM 1423 HB3 . PRO A 70 ? 11.67448 32.18132 35.94761 1.000 14.47592 H ? A ? 69 HB3 1
   ATOM 1424 HG2 . PRO A 70 ? 13.83713 33.73908 35.43673 1.000 19.74929 H ? A ? 69 HG2 1
   ATOM 1425 HG3 . PRO A 70 ? 13.60035 32.23819 34.97125 1.000 19.74929 H ? A ? 69 HG3 1
   ATOM 1426 HD2 . PRO A 70 ? 13.66240 34.26773 33.31963 1.000 19.35889 H ? A ? 69 HD2 1
   ATOM 1427 HD3 . PRO A 70 ? 13.01453 32.86375 32.95285 1.000 19.35889 H ? A ? 69 HD3 1
   ATOM 1428 N . GLU A 71 ? 10.65606 36.09939 35.37187 1.000 11.85829 N ? A ? 70 N 1
   ATOM 1429 CA . GLU A 71 ? 10.01226 37.20576 36.04621 1.000 13.89474 C ? A ? 70 CA 1
   ATOM 1430 C . GLU A 71 ? 8.60608 37.51558 35.50362 1.000 10.74488 C ? A ? 70 C 1
   ATOM 1431 O . GLU A 71 ? 7.82935 38.21146 36.14858 1.000 12.96922 O ? A ? 70 O 1
   ATOM 1432 H . GLU A 71 ? 11.32718 36.30519 34.87503 1.000 14.22995 H ? A ? 70 H 1
   ATOM 1433 HA . GLU A 71 ? 9.90479 36.98459 36.98452 1.000 16.67368 H ? A ? 70 HA 1
   ATOM 1434 CB A GLU A 71 ? 10.87813 38.45945 35.85388 0.440 17.77328 C ? A ? 70 CB 1
   ATOM 1435 CG A GLU A 71 ? 12.25406 38.44714 36.53181 0.440 18.42716 C ? A ? 70 CG 1
   ATOM 1436 CD A GLU A 71 ? 13.40755 38.06171 35.65070 0.440 20.23918 C ? A ? 70 CD 1
   ATOM 1437 OE1 A GLU A 71 ? 13.26901 37.13696 34.81560 0.440 18.26846 O ? A ? 70 OE1 1
   ATOM 1438 OE2 A GLU A 71 ? 14.52156 38.62207 35.85262 0.440 21.88405 O ? A ? 70 OE2 1
   ATOM 1439 HB2 A GLU A 71 ? 11.02986 38.57838 34.90323 0.440 21.32793 H ? A ? 70 HB2 1
   ATOM 1440 HB3 A GLU A 71 ? 10.39181 39.21949 36.20986 0.440 21.32793 H ? A ? 70 HB3 1
   ATOM 1441 HG2 A GLU A 71 ? 12.43548 39.33787 36.87031 0.440 22.11259 H ? A ? 70 HG2 1
   ATOM 1442 HG3 A GLU A 71 ? 12.22736 37.81265 37.26503 0.440 22.11259 H ? A ? 70 HG3 1
   ATOM 1443 CB B GLU A 71 ? 10.90422 38.43986 35.91128 0.560 17.74960 C ? A ? 70 CB 1
   ATOM 1444 CG B GLU A 71 ? 12.22911 38.35738 36.69817 0.560 18.24709 C ? A ? 70 CG 1
   ATOM 1445 CD B GLU A 71 ? 13.30445 37.49836 36.07536 0.560 16.07602 C ? A ? 70 CD 1
   ATOM 1446 OE1 B GLU A 71 ? 13.25768 37.19910 34.85538 0.560 18.36022 O ? A ? 70 OE1 1
   ATOM 1447 OE2 B GLU A 71 ? 14.28468 37.14664 36.79037 0.560 24.48967 O ? A ? 70 OE2 1
   ATOM 1448 HB2 B GLU A 71 ? 11.12615 38.56027 34.97472 0.560 21.29952 H ? A ? 70 HB2 1
   ATOM 1449 HB3 B GLU A 71 ? 10.41612 39.21162 36.23845 0.560 21.29952 H ? A ? 70 HB3 1
   ATOM 1450 HG2 B GLU A 71 ? 12.58992 39.25374 36.78332 0.560 21.89651 H ? A ? 70 HG2 1
   ATOM 1451 HG3 B GLU A 71 ? 12.04037 37.99092 37.57623 0.560 21.89651 H ? A ? 70 HG3 1
   ATOM 1452 N . ILE A 72 ? 8.24449 36.95475 34.31182 1.000 11.30647 N ? A ? 71 N 1
   ATOM 1453 CA . ILE A 72 ? 6.82988 37.04767 33.86992 1.000 10.77638 C ? A ? 71 CA 1
   ATOM 1454 C . ILE A 72 ? 5.92657 36.54206 34.98458 1.000 8.87612 C ? A ? 71 C 1
   ATOM 1455 O . ILE A 72 ? 4.84454 37.03685 35.22560 1.000 12.10117 O ? A ? 71 O 1
   ATOM 1456 CB . ILE A 72 ? 6.65162 36.22813 32.57433 1.000 10.02710 C ? A ? 71 CB 1
   ATOM 1457 CG1 . ILE A 72 ? 7.38622 36.89051 31.40645 1.000 11.44266 C ? A ? 71 CG1 1
   ATOM 1458 CG2 . ILE A 72 ? 5.18194 35.92706 32.24949 1.000 10.89881 C ? A ? 71 CG2 1
   ATOM 1459 CD1 . ILE A 72 ? 7.31297 36.08230 30.12559 1.000 11.02063 C ? A ? 71 CD1 1
   ATOM 1460 H . ILE A 72 ? 8.77289 36.53973 33.77502 1.000 13.56777 H ? A ? 71 H 1
   ATOM 1461 HA . ILE A 72 ? 6.59513 37.96961 33.68062 1.000 12.93165 H ? A ? 71 HA 1
   ATOM 1462 HB . ILE A 72 ? 7.06196 35.36303 32.72965 1.000 12.03253 H ? A ? 71 HB 1
   ATOM 1463 HG12 . ILE A 72 ? 6.98819 37.75847 31.23583 1.000 13.73119 H ? A ? 71 HG12 1
   ATOM 1464 HG13 . ILE A 72 ? 8.32153 36.99486 31.64141 1.000 13.73119 H ? A ? 71 HG13 1
   ATOM 1465 HG21 . ILE A 72 ? 5.11974 35.60586 31.33633 1.000 13.07857 H ? A ? 71 HG21 1
   ATOM 1466 HG22 . ILE A 72 ? 4.85572 35.24896 32.86160 1.000 13.07857 H ? A ? 71 HG22 1
   ATOM 1467 HG23 . ILE A 72 ? 4.66324 36.74053 32.35005 1.000 13.07857 H ? A ? 71 HG23 1
   ATOM 1468 HD11 . ILE A 72 ? 8.18306 36.09038 29.69689 1.000 13.22476 H ? A ? 71 HD11 1
   ATOM 1469 HD12 . ILE A 72 ? 7.05884 35.17133 30.34108 1.000 13.22476 H ? A ? 71 HD12 1
   ATOM 1470 HD13 . ILE A 72 ? 6.65125 36.48023 29.53849 1.000 13.22476 H ? A ? 71 HD13 1
   ATOM 1471 N . TRP A 73 ? 6.36837 35.43830 35.65611 1.000 11.73471 N ? A ? 72 N 1
   ATOM 1472 CA . TRP A 73 ? 5.59499 34.76839 36.72058 1.000 10.59330 C ? A ? 72 CA 1
   ATOM 1473 C . TRP A 73 ? 5.78902 35.34773 38.12996 1.000 13.96524 C ? A ? 72 C 1
   ATOM 1474 O . TRP A 73 ? 4.84126 35.51092 38.92120 1.000 15.36945 O ? A ? 72 O 1
   ATOM 1475 CB . TRP A 73 ? 5.84391 33.23316 36.73025 1.000 12.24338 C ? A ? 72 CB 1
   ATOM 1476 CG . TRP A 73 ? 5.30792 32.60401 35.48891 1.000 11.19588 C ? A ? 72 CG 1
   ATOM 1477 CD1 . TRP A 73 ? 4.10879 32.01301 35.39522 1.000 11.61982 C ? A ? 72 CD1 1
   ATOM 1478 CD2 . TRP A 73 ? 6.01026 32.39705 34.22508 1.000 11.93097 C ? A ? 72 CD2 1
   ATOM 1479 NE1 . TRP A 73 ? 3.96511 31.50423 34.08159 1.000 13.39180 N ? A ? 72 NE1 1
   ATOM 1480 CE2 . TRP A 73 ? 5.10697 31.73748 33.37995 1.000 11.39301 C ? A ? 72 CE2 1
   ATOM 1481 CE3 . TRP A 73 ? 7.25451 32.70191 33.75442 1.000 10.27246 C ? A ? 72 CE3 1
   ATOM 1482 CZ2 . TRP A 73 ? 5.38947 31.42660 32.04086 1.000 10.59101 C ? A ? 72 CZ2 1
   ATOM 1483 CZ3 . TRP A 73 ? 7.55060 32.39829 32.39864 1.000 12.37753 C ? A ? 72 CZ3 1
   ATOM 1484 CH2 . TRP A 73 ? 6.58600 31.74840 31.59437 1.000 9.70172 C ? A ? 72 CH2 1
   ATOM 1485 H . TRP A 73 ? 7.12564 35.06011 35.50406 1.000 14.08165 H ? A ? 72 H 1
   ATOM 1486 HA . TRP A 73 ? 4.66183 34.91127 36.49767 1.000 12.71196 H ? A ? 72 HA 1
   ATOM 1487 HB2 . TRP A 73 ? 6.79720 33.06016 36.77734 1.000 14.69206 H ? A ? 72 HB2 1
   ATOM 1488 HB3 . TRP A 73 ? 5.39679 32.83762 37.49480 1.000 14.69206 H ? A ? 72 HB3 1
   ATOM 1489 HD1 . TRP A 73 ? 3.47887 31.94814 36.07632 1.000 13.94378 H ? A ? 72 HD1 1
   ATOM 1490 HE1 . TRP A 73 ? 3.26523 31.10941 33.77518 1.000 16.07016 H ? A ? 72 HE1 1
   ATOM 1491 HE3 . TRP A 73 ? 7.89061 33.09727 34.30574 1.000 12.32695 H ? A ? 72 HE3 1
   ATOM 1492 HZ2 . TRP A 73 ? 4.76111 31.01268 31.49430 1.000 12.70921 H ? A ? 72 HZ2 1
   ATOM 1493 HZ3 . TRP A 73 ? 8.37789 32.62666 32.04040 1.000 14.85303 H ? A ? 72 HZ3 1
   ATOM 1494 HH2 . TRP A 73 ? 6.80528 31.53989 30.71497 1.000 11.64207 H ? A ? 72 HH2 1
   ATOM 1495 N . SER A 74 ? 6.97283 35.67793 38.44166 1.000 11.31239 N ? A ? 73 N 1
   ATOM 1496 CA . SER A 74 ? 7.27309 36.18674 39.79741 1.000 12.32464 C ? A ? 73 CA 1
   ATOM 1497 C . SER A 74 ? 6.96251 37.66449 39.94203 1.000 11.56436 C ? A ? 73 C 1
   ATOM 1498 O . SER A 74 ? 6.68914 38.10885 41.08841 1.000 14.69882 O ? A ? 73 O 1
   ATOM 1499 CB . SER A 74 ? 8.72549 35.93977 40.08311 1.000 17.80655 C ? A ? 73 CB 1
   ATOM 1500 OG . SER A 74 ? 9.56773 36.63020 39.35862 1.000 14.81746 O ? A ? 73 OG 1
   ATOM 1501 H . SER A 74 ? 7.65132 35.63243 37.91519 1.000 13.57487 H ? A ? 73 H 1
   ATOM 1502 HA . SER A 74 ? 6.73899 35.71540 40.45580 1.000 14.78957 H ? A ? 73 HA 1
   ATOM 1503 HB2 . SER A 74 ? 8.88618 36.15863 41.01434 1.000 21.36786 H ? A ? 73 HB2 1
   ATOM 1504 HB3 . SER A 74 ? 8.90263 34.99876 39.92812 1.000 21.36786 H ? A ? 73 HB3 1
   ATOM 1505 HG . SER A 74 ? 10.35663 36.43663 39.57257 1.000 17.78096 H ? A ? 73 HG 1
   ATOM 1506 N . ASP A 75 ? 6.89903 38.40053 38.82040 1.000 11.62191 N ? A ? 74 N 1
   ATOM 1507 CA . ASP A 75 ? 6.45699 39.79022 38.86680 1.000 14.37125 C ? A ? 74 CA 1
   ATOM 1508 C . ASP A 75 ? 5.14262 39.88507 38.03407 1.000 11.36680 C ? A ? 74 C 1
   ATOM 1509 O . ASP A 75 ? 5.05423 40.61266 36.95939 1.000 13.29719 O ? A ? 74 O 1
   ATOM 1510 CB . ASP A 75 ? 7.49228 40.73526 38.28102 1.000 15.52256 C ? A ? 74 CB 1
   ATOM 1511 CG . ASP A 75 ? 8.78233 40.71266 39.04252 1.000 18.98685 C ? A ? 74 CG 1
   ATOM 1512 OD1 . ASP A 75 ? 8.80851 40.48894 40.31997 1.000 18.41545 O ? A ? 74 OD1 1
   ATOM 1513 OD2 . ASP A 75 ? 9.80672 40.89719 38.41560 1.000 20.07706 O ? A ? 74 OD2 1
   ATOM 1514 H . ASP A 75 ? 7.10498 38.11611 38.03535 1.000 13.94630 H ? A ? 74 H 1
   ATOM 1515 HA . ASP A 75 ? 6.31928 40.06435 39.78701 1.000 17.24550 H ? A ? 74 HA 1
   ATOM 1516 HB2 . ASP A 75 ? 7.67817 40.47434 37.36545 1.000 18.62707 H ? A ? 74 HB2 1
   ATOM 1517 HB3 . ASP A 75 ? 7.14463 41.64053 38.30393 1.000 18.62707 H ? A ? 74 HB3 1
   ATOM 1518 N . ALA A 76 ? 4.09189 39.15209 38.42933 1.000 14.63295 N ? A ? 75 N 1
   ATOM 1519 CA . ALA A 76 ? 2.93439 39.02733 37.54550 1.000 14.95699 C ? A ? 75 CA 1
   ATOM 1520 C . ALA A 76 ? 2.18170 40.32693 37.37013 1.000 12.03100 C ? A ? 75 C 1
   ATOM 1521 O . ALA A 76 ? 1.70075 40.57881 36.24871 1.000 12.76474 O ? A ? 75 O 1
   ATOM 1522 CB . ALA A 76 ? 2.03120 37.89344 38.04210 1.000 16.12660 C ? A ? 75 CB 1
   ATOM 1523 H . ALA A 76 ? 4.02978 38.73343 39.17798 1.000 17.55954 H ? A ? 75 H 1
   ATOM 1524 HA . ALA A 76 ? 3.24115 38.78704 36.65721 1.000 17.94838 H ? A ? 75 HA 1
   ATOM 1525 HB1 . ALA A 76 ? 1.25150 37.83626 37.46790 1.000 19.35192 H ? A ? 75 HB1 1
   ATOM 1526 HB2 . ALA A 76 ? 2.52585 37.05958 38.01225 1.000 19.35192 H ? A ? 75 HB2 1
   ATOM 1527 HB3 . ALA A 76 ? 1.75782 38.08344 38.95318 1.000 19.35192 H ? A ? 75 HB3 1
   ATOM 1528 N . ALA A 77 ? 2.12189 41.20647 38.38095 1.000 13.90211 N ? A ? 76 N 1
   ATOM 1529 CA . ALA A 77 ? 1.37239 42.44656 38.20494 1.000 14.33386 C ? A ? 76 CA 1
   ATOM 1530 C . ALA A 77 ? 2.07935 43.34686 37.19150 1.000 12.35941 C ? A ? 76 C 1
   ATOM 1531 O . ALA A 77 ? 1.43701 44.04016 36.36345 1.000 14.14866 O ? A ? 76 O 1
   ATOM 1532 CB . ALA A 77 ? 1.15652 43.12333 39.57983 1.000 14.68607 C ? A ? 76 CB 1
   ATOM 1533 H . ALA A 77 ? 2.49482 41.10821 39.14963 1.000 16.68253 H ? A ? 76 H 1
   ATOM 1534 HA . ALA A 77 ? 0.48615 42.26898 37.85287 1.000 17.20063 H ? A ? 76 HA 1
   ATOM 1535 HB1 . ALA A 77 ? 0.65324 43.94279 39.45292 1.000 17.62328 H ? A ? 76 HB1 1
   ATOM 1536 HB2 . ALA A 77 ? 0.66353 42.51821 40.15576 1.000 17.62328 H ? A ? 76 HB2 1
   ATOM 1537 HB3 . ALA A 77 ? 2.02064 43.32332 39.97253 1.000 17.62328 H ? A ? 76 HB3 1
   ATOM 1538 N . SER A 78 ? 3.40289 43.33990 37.22331 1.000 12.56261 N ? A ? 77 N 1
   ATOM 1539 CA . SER A 78 ? 4.13058 44.20675 36.29175 1.000 15.12107 C ? A ? 77 CA 1
   ATOM 1540 C . SER A 78 ? 4.02401 43.66785 34.86507 1.000 12.24383 C ? A ? 77 C 1
   ATOM 1541 O . SER A 78 ? 3.90529 44.45442 33.89235 1.000 12.75728 O ? A ? 77 O 1
   ATOM 1542 CB . SER A 78 ? 5.60194 44.28756 36.61756 1.000 15.29040 C ? A ? 77 CB 1
   ATOM 1543 OG . SER A 78 ? 5.81085 45.04169 37.84483 1.000 20.77538 O ? A ? 77 OG 1
   ATOM 1544 H . SER A 78 ? 3.88974 42.86511 37.74976 1.000 15.07513 H ? A ? 77 H 1
   ATOM 1545 HA . SER A 78 ? 3.74066 45.09107 36.37441 1.000 18.14529 H ? A ? 77 HA 1
   ATOM 1546 HB2 . SER A 78 ? 5.95098 43.38999 36.73344 1.000 18.34848 H ? A ? 77 HB2 1
   ATOM 1547 HB3 . SER A 78 ? 6.06413 44.73185 35.88963 1.000 18.34848 H ? A ? 77 HB3 1
   ATOM 1548 HG . SER A 78 ? 6.63068 45.07694 38.02435 1.000 24.93046 H ? A ? 77 HG 1
   ATOM 1549 N A PHE A 79 ? 4.06218 42.33826 34.67026 0.225 11.85483 N ? A ? 78 N 1
   ATOM 1550 CA A PHE A 79 ? 3.85260 41.77893 33.32657 0.225 11.80845 C ? A ? 78 CA 1
   ATOM 1551 C A PHE A 79 ? 2.41599 42.01986 32.81847 0.225 9.69402 C ? A ? 78 C 1
   ATOM 1552 O A PHE A 79 ? 2.18797 42.25635 31.62233 0.225 8.87939 O ? A ? 78 O 1
   ATOM 1553 CB A PHE A 79 ? 4.25819 40.28602 33.31712 0.225 10.42645 C ? A ? 78 CB 1
   ATOM 1554 CG A PHE A 79 ? 4.23200 39.64525 31.93612 0.225 8.65160 C ? A ? 78 CG 1
   ATOM 1555 CD1 A PHE A 79 ? 5.28515 39.84086 31.06642 0.225 10.70205 C ? A ? 78 CD1 1
   ATOM 1556 CD2 A PHE A 79 ? 3.14894 38.89184 31.51762 0.225 8.88970 C ? A ? 78 CD2 1
   ATOM 1557 CE1 A PHE A 79 ? 5.26966 39.28870 29.77395 0.225 9.28936 C ? A ? 78 CE1 1
   ATOM 1558 CE2 A PHE A 79 ? 3.11474 38.34373 30.22235 0.225 10.02136 C ? A ? 78 CE2 1
   ATOM 1559 CZ A PHE A 79 ? 4.21941 38.51580 29.38396 0.225 7.63717 C ? A ? 78 CZ 1
   ATOM 1560 H A PHE A 79 ? 4.20417 41.75355 35.28472 0.225 14.22580 H ? A ? 78 H 1
   ATOM 1561 HA A PHE A 79 ? 4.43099 42.23082 32.69241 0.225 14.17014 H ? A ? 78 HA 1
   ATOM 1562 HB2 A PHE A 79 ? 5.16147 40.20712 33.66175 0.225 12.51174 H ? A ? 78 HB2 1
   ATOM 1563 HB3 A PHE A 79 ? 3.64314 39.79322 33.88260 0.225 12.51174 H ? A ? 78 HB3 1
   ATOM 1564 HD1 A PHE A 79 ? 6.01668 40.34594 31.33966 0.225 12.84246 H ? A ? 78 HD1 1
   ATOM 1565 HD2 A PHE A 79 ? 2.43706 38.74657 32.09816 0.225 10.66764 H ? A ? 78 HD2 1
   ATOM 1566 HE1 A PHE A 79 ? 5.97357 39.45068 29.18814 0.225 11.14723 H ? A ? 78 HE1 1
   ATOM 1567 HE2 A PHE A 79 ? 2.36797 37.87380 29.92842 0.225 12.02563 H ? A ? 78 HE2 1
   ATOM 1568 HZ A PHE A 79 ? 4.23709 38.09886 28.55284 0.225 9.16460 H ? A ? 78 HZ 1
   ATOM 1569 N B PHE A 79 ? 4.02690 42.31405 34.70207 0.775 11.90401 N ? A ? 78 N 1
   ATOM 1570 CA B PHE A 79 ? 3.84746 41.72863 33.39548 0.775 11.60441 C ? A ? 78 CA 1
   ATOM 1571 C B PHE A 79 ? 2.48381 42.08479 32.86279 0.775 9.69014 C ? A ? 78 C 1
   ATOM 1572 O B PHE A 79 ? 2.37509 42.53040 31.68964 0.775 10.32779 O ? A ? 78 O 1
   ATOM 1573 CB B PHE A 79 ? 3.91635 40.20847 33.44958 0.775 10.01984 C ? A ? 78 CB 1
   ATOM 1574 CG B PHE A 79 ? 3.85742 39.54599 32.02068 0.775 9.05724 C ? A ? 78 CG 1
   ATOM 1575 CD1 B PHE A 79 ? 4.88982 39.66846 31.15672 0.775 10.47269 C ? A ? 78 CD1 1
   ATOM 1576 CD2 B PHE A 79 ? 2.72101 38.90522 31.66868 0.775 11.02205 C ? A ? 78 CD2 1
   ATOM 1577 CE1 B PHE A 79 ? 4.77007 39.11506 29.78961 0.775 9.08051 C ? A ? 78 CE1 1
   ATOM 1578 CE2 B PHE A 79 ? 2.59556 38.40386 30.38797 0.775 11.06366 C ? A ? 78 CE2 1
   ATOM 1579 CZ B PHE A 79 ? 3.66347 38.41461 29.54726 0.775 9.08520 C ? A ? 78 CZ 1
   ATOM 1580 H B PHE A 79 ? 4.13093 41.74304 35.33668 0.775 14.28482 H ? A ? 78 H 1
   ATOM 1581 HA B PHE A 79 ? 4.55932 42.05872 32.82521 0.775 13.92529 H ? A ? 78 HA 1
   ATOM 1582 HB2 B PHE A 79 ? 4.75023 39.94466 33.86905 0.775 12.02381 H ? A ? 78 HB2 1
   ATOM 1583 HB3 B PHE A 79 ? 3.16551 39.87629 33.96611 0.775 12.02381 H ? A ? 78 HB3 1
   ATOM 1584 HD1 B PHE A 79 ? 5.67131 40.09829 31.42018 0.775 12.56722 H ? A ? 78 HD1 1
   ATOM 1585 HD2 B PHE A 79 ? 2.03015 38.80285 32.28280 0.775 13.22646 H ? A ? 78 HD2 1
   ATOM 1586 HE1 B PHE A 79 ? 5.42444 39.24763 29.14221 0.775 10.89661 H ? A ? 78 HE1 1
   ATOM 1587 HE2 B PHE A 79 ? 1.78089 38.05910 30.10098 0.775 13.27639 H ? A ? 78 HE2 1
   ATOM 1588 HZ B PHE A 79 ? 3.61950 37.90993 28.76735 0.775 10.90224 H ? A ? 78 HZ 1
   ATOM 1589 N . LYS A 80 ? 1.43908 41.97550 33.70972 1.000 11.98833 N ? A ? 79 N 1
   ATOM 1590 CA . LYS A 80 ? 0.08521 42.30960 33.34529 1.000 11.98975 C ? A ? 79 CA 1
   ATOM 1591 C . LYS A 80 ? -0.00007 43.76824 32.90541 1.000 16.10163 C ? A ? 79 C 1
   ATOM 1592 O . LYS A 80 ? -0.72980 44.07527 31.91431 1.000 12.30964 O ? A ? 79 O 1
   ATOM 1593 HA . LYS A 80 ? -0.18758 41.72757 32.61885 1.000 14.38770 H ? A ? 79 HA 1
   ATOM 1594 CB A LYS A 80 ? -0.83883 42.07041 34.53420 0.200 16.63236 C ? A ? 79 CB 1
   ATOM 1595 CG A LYS A 80 ? -2.23397 42.59384 34.27837 0.200 18.25528 C ? A ? 79 CG 1
   ATOM 1596 CD A LYS A 80 ? -3.24383 41.88323 35.19849 0.200 24.72627 C ? A ? 79 CD 1
   ATOM 1597 CE A LYS A 80 ? -3.41240 40.42853 34.78116 0.200 21.46781 C ? A ? 79 CE 1
   ATOM 1598 NZ A LYS A 80 ? -4.27428 39.68253 35.72844 0.200 19.60481 N ? A ? 79 NZ 1
   ATOM 1599 H A LYS A 80 ? 1.53841 41.75359 34.53464 0.225 14.38600 H ? A ? 79 H 1
   ATOM 1600 HB2 A LYS A 80 ? -0.89829 41.11748 34.70530 0.200 19.95883 H ? A ? 79 HB2 1
   ATOM 1601 HB3 A LYS A 80 ? -0.48137 42.52557 35.31263 0.200 19.95883 H ? A ? 79 HB3 1
   ATOM 1602 HG2 A LYS A 80 ? -2.26402 43.54602 34.46098 0.200 21.90633 H ? A ? 79 HG2 1
   ATOM 1603 HG3 A LYS A 80 ? -2.48198 42.42495 33.35595 0.200 21.90633 H ? A ? 79 HG3 1
   ATOM 1604 HD2 A LYS A 80 ? -2.92288 41.90717 36.11354 0.200 29.67152 H ? A ? 79 HD2 1
   ATOM 1605 HD3 A LYS A 80 ? -4.10563 42.32423 35.13754 0.200 29.67152 H ? A ? 79 HD3 1
   ATOM 1606 HE2 A LYS A 80 ? -3.82336 40.39274 33.90325 0.200 25.76137 H ? A ? 79 HE2 1
   ATOM 1607 HE3 A LYS A 80 ? -2.54294 39.99909 34.75821 0.200 25.76137 H ? A ? 79 HE3 1
   ATOM 1608 HZ1 A LYS A 80 ? -4.32725 38.82843 35.48389 0.200 23.52578 H ? A ? 79 HZ1 1
   ATOM 1609 HZ2 A LYS A 80 ? -3.93395 39.72727 36.54958 0.200 23.52578 H ? A ? 79 HZ2 1
   ATOM 1610 HZ3 A LYS A 80 ? -5.09266 40.03224 35.73551 0.200 23.52578 H ? A ? 79 HZ3 1
   ATOM 1611 CB B LYS A 80 ? -0.84692 42.07536 34.53404 0.303 16.53341 C ? A ? 79 CB 1
   ATOM 1612 CG B LYS A 80 ? -2.28385 42.35126 34.14385 0.303 18.16860 C ? A ? 79 CG 1
   ATOM 1613 CD B LYS A 80 ? -2.81811 41.26853 33.24420 0.303 20.65072 C ? A ? 79 CD 1
   ATOM 1614 CE B LYS A 80 ? -4.25388 41.55584 32.87423 0.303 20.62738 C ? A ? 79 CE 1
   ATOM 1615 NZ B LYS A 80 ? -4.96604 40.48903 32.14343 0.303 22.65089 N ? A ? 79 NZ 1
   ATOM 1616 H B LYS A 80 ? 1.50801 41.70034 34.52159 0.775 14.38600 H ? A ? 79 H 1
   ATOM 1617 HB2 B LYS A 80 ? -0.77645 41.15255 34.82448 0.303 19.84009 H ? A ? 79 HB2 1
   ATOM 1618 HB3 B LYS A 80 ? -0.60305 42.67109 35.25967 0.303 19.84009 H ? A ? 79 HB3 1
   ATOM 1619 HG2 B LYS A 80 ? -2.83416 42.38612 34.94188 0.303 21.80232 H ? A ? 79 HG2 1
   ATOM 1620 HG3 B LYS A 80 ? -2.33319 43.19601 33.66967 0.303 21.80232 H ? A ? 79 HG3 1
   ATOM 1621 HD2 B LYS A 80 ? -2.29029 41.23037 32.43128 0.303 24.78086 H ? A ? 79 HD2 1
   ATOM 1622 HD3 B LYS A 80 ? -2.78137 40.41520 33.70397 0.303 24.78086 H ? A ? 79 HD3 1
   ATOM 1623 HE2 B LYS A 80 ? -4.74983 41.72110 33.69131 0.303 24.75286 H ? A ? 79 HE2 1
   ATOM 1624 HE3 B LYS A 80 ? -4.26925 42.34563 32.31130 0.303 24.75286 H ? A ? 79 HE3 1
   ATOM 1625 HZ1 B LYS A 80 ? -5.82241 40.70906 32.04187 0.303 27.18107 H ? A ? 79 HZ1 1
   ATOM 1626 HZ2 B LYS A 80 ? -4.60024 40.37378 31.34031 0.303 27.18107 H ? A ? 79 HZ2 1
   ATOM 1627 HZ3 B LYS A 80 ? -4.91601 39.72435 32.59604 0.303 27.18107 H ? A ? 79 HZ3 1
   ATOM 1628 CB C LYS A 80 ? -0.90571 42.07019 34.50709 0.497 16.36613 C ? A ? 79 CB 1
   ATOM 1629 CG C LYS A 80 ? -2.40184 42.03406 34.02307 0.497 16.73712 C ? A ? 79 CG 1
   ATOM 1630 CD C LYS A 80 ? -3.34675 41.77619 35.24957 0.497 24.95498 C ? A ? 79 CD 1
   ATOM 1631 CE C LYS A 80 ? -4.78608 41.64465 34.75710 0.497 25.19199 C ? A ? 79 CE 1
   ATOM 1632 NZ C LYS A 80 ? -5.68521 41.27579 35.90881 0.497 26.65503 N ? A ? 79 NZ 1
   ATOM 1633 HB2 C LYS A 80 ? -0.70344 41.21883 34.92563 0.496 19.63935 H ? A ? 79 HB2 1
   ATOM 1634 HB3 C LYS A 80 ? -0.81509 42.78757 35.15367 0.496 19.63935 H ? A ? 79 HB3 1
   ATOM 1635 HG2 C LYS A 80 ? -2.63732 42.88448 33.62030 0.496 20.08454 H ? A ? 79 HG2 1
   ATOM 1636 HG3 C LYS A 80 ? -2.52174 41.31786 33.37996 0.496 20.08454 H ? A ? 79 HG3 1
   ATOM 1637 HD2 C LYS A 80 ? -3.09089 40.95387 35.69591 0.496 29.94597 H ? A ? 79 HD2 1
   ATOM 1638 HD3 C LYS A 80 ? -3.29339 42.52050 35.86929 0.496 29.94597 H ? A ? 79 HD3 1
   ATOM 1639 HE2 C LYS A 80 ? -5.08427 42.48977 34.38596 0.496 30.23039 H ? A ? 79 HE2 1
   ATOM 1640 HE3 C LYS A 80 ? -4.83989 40.94897 34.08328 0.496 30.23039 H ? A ? 79 HE3 1
   ATOM 1641 HZ1 C LYS A 80 ? -6.53109 41.23803 35.63464 0.496 31.98603 H ? A ? 79 HZ1 1
   ATOM 1642 HZ2 C LYS A 80 ? -5.45159 40.48138 36.23506 0.496 31.98603 H ? A ? 79 HZ2 1
   ATOM 1643 HZ3 C LYS A 80 ? -5.61781 41.88443 36.55465 0.496 31.98603 H ? A ? 79 HZ3 1
   ATOM 1644 N . GLN A 81 ? 0.76957 44.69416 33.53702 1.000 12.29559 N ? A ? 80 N 1
   ATOM 1645 CA . GLN A 81 ? 0.74909 46.07645 33.07560 1.000 13.26244 C ? A ? 80 CA 1
   ATOM 1646 C . GLN A 81 ? 1.40122 46.19403 31.69689 1.000 11.55466 C ? A ? 80 C 1
   ATOM 1647 O . GLN A 81 ? 0.92063 47.02506 30.86957 1.000 13.55204 O ? A ? 80 O 1
   ATOM 1648 H . GLN A 81 ? 1.28630 44.53868 34.20666 1.000 14.75470 H ? A ? 80 H 1
   ATOM 1649 HA . GLN A 81 ? -0.16997 46.36841 32.97085 1.000 15.91493 H ? A ? 80 HA 1
   ATOM 1650 CB A GLN A 81 ? 1.37881 47.01739 34.09080 0.200 14.76092 C ? A ? 80 CB 1
   ATOM 1651 CG A GLN A 81 ? 0.49390 47.34618 35.29899 0.200 18.19379 C ? A ? 80 CG 1
   ATOM 1652 CD A GLN A 81 ? -0.78414 48.09876 34.96728 0.200 17.18894 C ? A ? 80 CD 1
   ATOM 1653 OE1 A GLN A 81 ? -0.84596 48.94117 34.04427 0.200 19.99640 O ? A ? 80 OE1 1
   ATOM 1654 NE2 A GLN A 81 ? -1.83252 47.80537 35.74877 0.200 20.88026 N ? A ? 80 NE2 1
   ATOM 1655 HB2 A GLN A 81 ? 2.19125 46.60794 34.42722 0.200 17.71311 H ? A ? 80 HB2 1
   ATOM 1656 HB3 A GLN A 81 ? 1.58823 47.85383 33.64650 0.200 17.71311 H ? A ? 80 HB3 1
   ATOM 1657 HG2 A GLN A 81 ? 0.23907 46.51519 35.72959 0.200 21.83254 H ? A ? 80 HG2 1
   ATOM 1658 HG3 A GLN A 81 ? 1.00412 47.89578 35.91422 0.200 21.83254 H ? A ? 80 HG3 1
   ATOM 1659 HE21 A GLN A 81 ? -1.74937 47.22845 36.38110 0.200 25.05632 H ? A ? 80 HE21 1
   ATOM 1660 HE22 A GLN A 81 ? -2.58846 48.19401 35.61793 0.200 25.05632 H ? A ? 80 HE22 1
   ATOM 1661 CB B GLN A 81 ? 1.30586 47.02247 34.10926 0.425 14.23274 C ? A ? 80 CB 1
   ATOM 1662 CG B GLN A 81 ? 0.33263 47.35530 35.24563 0.425 17.64347 C ? A ? 80 CG 1
   ATOM 1663 CD B GLN A 81 ? -0.96307 47.93609 34.77040 0.425 17.63919 C ? A ? 80 CD 1
   ATOM 1664 OE1 B GLN A 81 ? -1.97526 47.21467 34.69795 0.425 23.98403 O ? A ? 80 OE1 1
   ATOM 1665 NE2 B GLN A 81 ? -0.97160 49.26384 34.43757 0.425 19.91832 N ? A ? 80 NE2 1
   ATOM 1666 HB2 B GLN A 81 ? 2.09422 46.61959 34.50559 0.425 17.07929 H ? A ? 80 HB2 1
   ATOM 1667 HB3 B GLN A 81 ? 1.54309 47.85505 33.67174 0.425 17.07929 H ? A ? 80 HB3 1
   ATOM 1668 HG2 B GLN A 81 ? 0.13181 46.54192 35.73449 0.425 21.17216 H ? A ? 80 HG2 1
   ATOM 1669 HG3 B GLN A 81 ? 0.74946 48.00264 35.83564 0.425 21.17216 H ? A ? 80 HG3 1
   ATOM 1670 HE21 B GLN A 81 ? -0.25135 49.72882 34.50556 0.425 23.90198 H ? A ? 80 HE21 1
   ATOM 1671 HE22 B GLN A 81 ? -1.69722 49.63303 34.16049 0.425 23.90198 H ? A ? 80 HE22 1
   ATOM 1672 CB C GLN A 81 ? 1.58983 46.99640 34.03925 0.375 14.94661 C ? A ? 80 CB 1
   ATOM 1673 CG C GLN A 81 ? 1.23270 47.04071 35.57645 0.375 18.08240 C ? A ? 80 CG 1
   ATOM 1674 CD C GLN A 81 ? 2.11986 47.70653 36.71915 0.375 17.87877 C ? A ? 80 CD 1
   ATOM 1675 OE1 C GLN A 81 ? 3.38414 48.01205 36.72250 0.375 10.95568 O ? A ? 80 OE1 1
   ATOM 1676 NE2 C GLN A 81 ? 1.36990 47.85126 37.79408 0.375 25.70867 N ? A ? 80 NE2 1
   ATOM 1677 HB2 C GLN A 81 ? 2.51377 46.70640 33.98337 0.375 17.93593 H ? A ? 80 HB2 1
   ATOM 1678 HB3 C GLN A 81 ? 1.50771 47.90692 33.71504 0.375 17.93593 H ? A ? 80 HB3 1
   ATOM 1679 HG2 C GLN A 81 ? 0.37830 47.49596 35.63676 0.375 21.69888 H ? A ? 80 HG2 1
   ATOM 1680 HG3 C GLN A 81 ? 1.13607 46.11588 35.85259 0.375 21.69888 H ? A ? 80 HG3 1
   ATOM 1681 HE21 C GLN A 81 ? 0.54827 47.59751 37.78251 0.375 30.85040 H ? A ? 80 HE21 1
   ATOM 1682 HE22 C GLN A 81 ? 1.70243 48.19939 38.50670 0.375 30.85040 H ? A ? 80 HE22 1
   ATOM 1683 N . LYS A 82 ? 2.55231 45.57141 31.41809 1.000 11.17193 N ? A ? 81 N 1
   ATOM 1684 CA . LYS A 82 ? 3.07047 45.56867 30.03108 1.000 10.23638 C ? A ? 81 CA 1
   ATOM 1685 C . LYS A 82 ? 2.04292 45.05602 29.01737 1.000 9.45483 C ? A ? 81 C 1
   ATOM 1686 O . LYS A 82 ? 1.87978 45.64733 27.92194 1.000 9.52544 O ? A ? 81 O 1
   ATOM 1687 CB . LYS A 82 ? 4.31486 44.78716 29.97036 1.000 11.50656 C ? A ? 81 CB 1
   ATOM 1688 CG . LYS A 82 ? 5.45215 45.49222 30.79541 1.000 22.68341 C ? A ? 81 CG 1
   ATOM 1689 CD . LYS A 82 ? 6.38187 46.28993 30.04366 1.000 25.62662 C ? A ? 81 CD 1
   ATOM 1690 CE . LYS A 82 ? 7.65193 46.64718 30.78059 1.000 19.85634 C ? A ? 81 CE 1
   ATOM 1691 NZ . LYS A 82 ? 7.64437 47.55647 31.89692 1.000 17.09289 N ? A ? 81 NZ 1
   ATOM 1692 H . LYS A 82 ? 3.04167 45.15491 31.98963 1.000 13.40632 H ? A ? 81 H 1
   ATOM 1693 HA . LYS A 82 ? 3.27063 46.48350 29.77825 1.000 12.28366 H ? A ? 81 HA 1
   ATOM 1694 HB2 . LYS A 82 ? 4.16217 43.90548 30.34483 1.000 13.80787 H ? A ? 81 HB2 1
   ATOM 1695 HB3 . LYS A 82 ? 4.60426 44.71019 29.04775 1.000 13.80787 H ? A ? 81 HB3 1
   ATOM 1696 HG2 . LYS A 82 ? 5.03539 46.07859 31.44608 1.000 27.22009 H ? A ? 81 HG2 1
   ATOM 1697 HG3 . LYS A 82 ? 5.96721 44.80653 31.24866 1.000 27.22009 H ? A ? 81 HG3 1
   ATOM 1698 HD2 . LYS A 82 ? 6.63644 45.79848 29.24707 1.000 30.75194 H ? A ? 81 HD2 1
   ATOM 1699 HD3 . LYS A 82 ? 5.94608 47.12040 29.79603 1.000 30.75194 H ? A ? 81 HD3 1
   ATOM 1700 HE2 . LYS A 82 ? 8.02296 45.81822 31.12127 1.000 23.82761 H ? A ? 81 HE2 1
   ATOM 1701 HE3 . LYS A 82 ? 8.25541 47.03788 30.12939 1.000 23.82761 H ? A ? 81 HE3 1
   ATOM 1702 HZ1 . LYS A 82 ? 8.45608 47.60035 32.25928 1.000 20.51147 H ? A ? 81 HZ1 1
   ATOM 1703 HZ2 . LYS A 82 ? 7.40484 48.36956 31.62561 1.000 20.51147 H ? A ? 81 HZ2 1
   ATOM 1704 HZ3 . LYS A 82 ? 7.06741 47.27621 32.51390 1.000 20.51147 H ? A ? 81 HZ3 1
   ATOM 1705 N A GLN A 83 ? 1.25384 44.00841 29.27559 0.516 8.86028 N ? A ? 82 N 1
   ATOM 1706 CA A GLN A 83 ? 0.30931 43.44604 28.27881 0.516 10.13488 C ? A ? 82 CA 1
   ATOM 1707 C A GLN A 83 ? -0.94581 44.27612 28.15801 0.516 9.25807 C ? A ? 82 C 1
   ATOM 1708 O A GLN A 83 ? -1.51185 44.38774 27.05301 0.516 9.24264 O ? A ? 82 O 1
   ATOM 1709 CB A GLN A 83 ? 0.05006 41.96718 28.62144 0.516 15.42098 C ? A ? 82 CB 1
   ATOM 1710 CG A GLN A 83 ? -1.12979 41.50205 28.28367 0.516 8.05956 C ? A ? 82 CG 1
   ATOM 1711 CD A GLN A 83 ? -1.67736 40.44454 29.30837 0.516 8.90320 C ? A ? 82 CD 1
   ATOM 1712 OE1 A GLN A 83 ? -0.96554 39.70386 30.00318 0.516 10.49249 O ? A ? 82 OE1 1
   ATOM 1713 NE2 A GLN A 83 ? -3.01554 40.27985 29.16393 0.516 8.97053 N ? A ? 82 NE2 1
   ATOM 1714 H A GLN A 83 ? 1.23884 43.59248 30.02818 0.516 10.63234 H ? A ? 82 H 1
   ATOM 1715 HA A GLN A 83 ? 0.69510 43.45190 27.38885 0.516 12.16185 H ? A ? 82 HA 1
   ATOM 1716 HB2 A GLN A 83 ? 0.71367 41.42809 28.16328 0.516 18.50518 H ? A ? 82 HB2 1
   ATOM 1717 HB3 A GLN A 83 ? 0.13853 41.85740 29.58114 0.516 18.50518 H ? A ? 82 HB3 1
   ATOM 1718 HG2 A GLN A 83 ? -1.76092 42.23760 28.24454 0.516 9.67147 H ? A ? 82 HG2 1
   ATOM 1719 HG3 A GLN A 83 ? -1.06491 41.07403 27.41564 0.516 9.67147 H ? A ? 82 HG3 1
   ATOM 1720 HE21 A GLN A 83 ? -3.44229 40.72968 28.56799 0.516 10.76463 H ? A ? 82 HE21 1
   ATOM 1721 HE22 A GLN A 83 ? -3.43749 39.72559 29.66826 0.516 10.76463 H ? A ? 82 HE22 1
   ATOM 1722 N B GLN A 83 ? 1.46255 43.95047 29.31951 0.484 9.37611 N ? A ? 82 N 1
   ATOM 1723 CA B GLN A 83 ? 0.38239 43.38684 28.55906 0.484 11.60074 C ? A ? 82 CA 1
   ATOM 1724 C B GLN A 83 ? -0.69209 44.40938 28.28449 0.484 11.37897 C ? A ? 82 C 1
   ATOM 1725 O B GLN A 83 ? -0.97449 44.70533 27.16437 0.484 10.41664 O ? A ? 82 O 1
   ATOM 1726 CB B GLN A 83 ? -0.10985 42.17677 29.39281 0.484 9.91176 C ? A ? 82 CB 1
   ATOM 1727 CG B GLN A 83 ? -0.97376 41.21320 28.70365 0.484 16.83445 C ? A ? 82 CG 1
   ATOM 1728 CD B GLN A 83 ? -2.33057 41.02593 29.26152 0.484 9.61371 C ? A ? 82 CD 1
   ATOM 1729 OE1 B GLN A 83 ? -2.63893 40.37841 30.22837 0.484 17.43617 O ? A ? 82 OE1 1
   ATOM 1730 NE2 B GLN A 83 ? -3.16877 41.67834 28.58553 0.484 10.40980 N ? A ? 82 NE2 1
   ATOM 1731 H B GLN A 83 ? 1.67848 43.46837 29.99816 0.484 11.25134 H ? A ? 82 H 1
   ATOM 1732 HA B GLN A 83 ? 0.65829 43.08718 27.67873 0.484 13.92089 H ? A ? 82 HA 1
   ATOM 1733 HB2 B GLN A 83 ? 0.66881 41.68873 29.70331 0.484 11.89411 H ? A ? 82 HB2 1
   ATOM 1734 HB3 B GLN A 83 ? -0.61160 42.51730 30.14990 0.484 11.89411 H ? A ? 82 HB3 1
   ATOM 1735 HG2 B GLN A 83 ? -1.08246 41.50818 27.78600 0.484 20.20134 H ? A ? 82 HG2 1
   ATOM 1736 HG3 B GLN A 83 ? -0.53649 40.34760 28.72429 0.484 20.20134 H ? A ? 82 HG3 1
   ATOM 1737 HE21 B GLN A 83 ? -2.90857 42.14229 27.90978 0.484 12.49176 H ? A ? 82 HE21 1
   ATOM 1738 HE22 B GLN A 83 ? -4.00151 41.66002 28.79954 0.484 12.49176 H ? A ? 82 HE22 1
   ATOM 1739 N . GLN A 84 ? -1.37156 44.87615 29.31522 1.000 10.66874 N ? A ? 83 N 1
   ATOM 1740 CA . GLN A 84 ? -2.54888 45.74117 29.21287 1.000 12.16679 C ? A ? 83 CA 1
   ATOM 1741 C . GLN A 84 ? -2.22921 47.06308 28.53622 1.000 11.70994 C ? A ? 83 C 1
   ATOM 1742 O . GLN A 84 ? -3.07236 47.51869 27.74085 1.000 11.73235 O ? A ? 83 O 1
   ATOM 1743 HA . GLN A 84 ? -3.22504 45.37803 28.61971 1.000 14.60015 H ? A ? 83 HA 1
   ATOM 1744 CB A GLN A 84 ? -3.10565 45.99094 30.63475 0.501 12.29208 C ? A ? 83 CB 1
   ATOM 1745 CG A GLN A 84 ? -4.47819 46.83205 30.71452 0.501 18.44135 C ? A ? 83 CG 1
   ATOM 1746 CD A GLN A 84 ? -5.03906 47.14064 32.16153 0.501 30.85631 C ? A ? 83 CD 1
   ATOM 1747 OE1 A GLN A 84 ? -4.27825 47.51985 33.09252 0.501 17.17444 O ? A ? 83 OE1 1
   ATOM 1748 NE2 A GLN A 84 ? -6.39974 47.02198 32.32471 0.501 22.85179 N ? A ? 83 NE2 1
   ATOM 1749 H A GLN A 84 ? -1.01541 44.79425 30.09371 0.516 12.80249 H ? A ? 83 H 1
   ATOM 1750 HB2 A GLN A 84 ? -3.27140 45.13078 31.05134 0.501 14.75050 H ? A ? 83 HB2 1
   ATOM 1751 HB3 A GLN A 84 ? -2.43860 46.48132 31.14020 0.501 14.75050 H ? A ? 83 HB3 1
   ATOM 1752 HG2 A GLN A 84 ? -4.33321 47.68653 30.27892 0.501 22.12962 H ? A ? 83 HG2 1
   ATOM 1753 HG3 A GLN A 84 ? -5.16479 46.33274 30.24530 0.501 22.12962 H ? A ? 83 HG3 1
   ATOM 1754 HE21 A GLN A 84 ? -6.89406 46.79125 31.65986 0.501 27.42214 H ? A ? 83 HE21 1
   ATOM 1755 HE22 A GLN A 84 ? -6.75613 47.17852 33.09157 0.501 27.42214 H ? A ? 83 HE22 1
   ATOM 1756 CB B GLN A 84 ? -3.27260 45.77440 30.55387 0.499 11.10197 C ? A ? 83 CB 1
   ATOM 1757 CG B GLN A 84 ? -3.81416 44.46663 30.94201 0.499 17.74112 C ? A ? 83 CG 1
   ATOM 1758 CD B GLN A 84 ? -5.14900 44.20789 30.30814 0.499 25.37722 C ? A ? 83 CD 1
   ATOM 1759 OE1 B GLN A 84 ? -5.26435 43.39262 29.38463 0.499 24.36133 O ? A ? 83 OE1 1
   ATOM 1760 NE2 B GLN A 84 ? -6.18127 44.80853 30.85466 0.499 30.82498 N ? A ? 83 NE2 1
   ATOM 1761 H B GLN A 84 ? -1.16814 44.70286 30.13265 0.484 12.80249 H ? A ? 83 H 1
   ATOM 1762 HB2 B GLN A 84 ? -2.64954 46.05711 31.24146 0.499 13.32236 H ? A ? 83 HB2 1
   ATOM 1763 HB3 B GLN A 84 ? -4.01143 46.40042 30.49796 0.499 13.32236 H ? A ? 83 HB3 1
   ATOM 1764 HG2 B GLN A 84 ? -3.20220 43.76972 30.65790 0.499 21.28934 H ? A ? 83 HG2 1
   ATOM 1765 HG3 B GLN A 84 ? -3.92428 44.43897 31.90534 0.499 21.28934 H ? A ? 83 HG3 1
   ATOM 1766 HE21 B GLN A 84 ? -6.06995 45.31765 31.53877 0.499 36.98997 H ? A ? 83 HE21 1
   ATOM 1767 HE22 B GLN A 84 ? -6.96851 44.69269 30.52842 0.499 36.98997 H ? A ? 83 HE22 1
   ATOM 1768 N . ALA A 85 ? -1.02678 47.59947 28.63973 1.000 9.81978 N ? A ? 84 N 1
   ATOM 1769 CA . ALA A 85 ? -0.66667 48.80963 27.91401 1.000 12.78947 C ? A ? 84 CA 1
   ATOM 1770 C . ALA A 85 ? -0.63305 48.50883 26.45254 1.000 10.41771 C ? A ? 84 C 1
   ATOM 1771 O . ALA A 85 ? -1.10317 49.30141 25.60632 1.000 10.20529 O ? A ? 84 O 1
   ATOM 1772 CB . ALA A 85 ? 0.76022 49.37002 28.22509 1.000 17.28805 C ? A ? 84 CB 1
   ATOM 1773 H . ALA A 85 ? -0.39247 47.28291 29.12660 1.000 11.78374 H ? A ? 84 H 1
   ATOM 1774 HA . ALA A 85 ? -1.32056 49.47107 28.18939 1.000 15.34736 H ? A ? 84 HA 1
   ATOM 1775 HB1 . ALA A 85 ? 0.94185 50.11726 27.63387 1.000 20.74566 H ? A ? 84 HB1 1
   ATOM 1776 HB2 . ALA A 85 ? 0.78939 49.66444 29.14887 1.000 20.74566 H ? A ? 84 HB2 1
   ATOM 1777 HB3 . ALA A 85 ? 1.41364 48.66776 28.08095 1.000 20.74566 H ? A ? 84 HB3 1
   ATOM 1778 N . PHE A 86 ? 0.00007 47.38550 26.07322 1.000 8.84607 N ? A ? 85 N 1
   ATOM 1779 CA . PHE A 86 ? -0.01471 46.93518 24.69253 1.000 8.60378 C ? A ? 85 CA 1
   ATOM 1780 C . PHE A 86 ? -1.43376 46.79955 24.17199 1.000 8.25539 C ? A ? 85 C 1
   ATOM 1781 O . PHE A 86 ? -1.75456 47.35062 23.10582 1.000 8.05644 O ? A ? 85 O 1
   ATOM 1782 CB . PHE A 86 ? 0.76475 45.62462 24.60141 1.000 9.14544 C ? A ? 85 CB 1
   ATOM 1783 CG . PHE A 86 ? 0.55810 44.89569 23.28193 1.000 7.09244 C ? A ? 85 CG 1
   ATOM 1784 CD1 . PHE A 86 ? 1.03672 45.40711 22.08667 1.000 11.14665 C ? A ? 85 CD1 1
   ATOM 1785 CD2 . PHE A 86 ? -0.17017 43.73120 23.23816 1.000 8.01768 C ? A ? 85 CD2 1
   ATOM 1786 CE1 . PHE A 86 ? 0.77642 44.65908 20.84500 1.000 8.91227 C ? A ? 85 CE1 1
   ATOM 1787 CE2 . PHE A 86 ? -0.38101 43.04429 22.04451 1.000 9.26527 C ? A ? 85 CE2 1
   ATOM 1788 CZ . PHE A 86 ? 0.06482 43.57288 20.88580 1.000 9.52822 C ? A ? 85 CZ 1
   ATOM 1789 H . PHE A 86 ? 0.44262 46.87307 26.60347 1.000 10.61528 H ? A ? 85 H 1
   ATOM 1790 HA . PHE A 86 ? 0.42390 47.58506 24.12142 1.000 10.32454 H ? A ? 85 HA 1
   ATOM 1791 HB2 . PHE A 86 ? 1.71150 45.81523 24.69211 1.000 10.97453 H ? A ? 85 HB2 1
   ATOM 1792 HB3 . PHE A 86 ? 0.47482 45.03632 25.31608 1.000 10.97453 H ? A ? 85 HB3 1
   ATOM 1793 HD1 . PHE A 86 ? 1.51242 46.20605 22.06874 1.000 13.37598 H ? A ? 85 HD1 1
   ATOM 1794 HD2 . PHE A 86 ? -0.53156 43.39296 24.02548 1.000 9.62122 H ? A ? 85 HD2 1
   ATOM 1795 HE1 . PHE A 86 ? 1.11973 44.96275 20.03579 1.000 10.69472 H ? A ? 85 HE1 1
   ATOM 1796 HE2 . PHE A 86 ? -0.82573 42.22752 22.04632 1.000 11.11832 H ? A ? 85 HE2 1
   ATOM 1797 HZ . PHE A 86 ? -0.14486 43.14417 20.08758 1.000 11.43386 H ? A ? 85 HZ 1
   ATOM 1798 N A GLN A 87 ? -2.37190 46.05766 24.84100 0.718 7.90564 N ? A ? 86 N 1
   ATOM 1799 CA A GLN A 87 ? -3.72355 45.89801 24.27424 0.718 10.18579 C ? A ? 86 CA 1
   ATOM 1800 C A GLN A 87 ? -4.48501 47.23036 24.17576 0.718 8.67340 C ? A ? 86 C 1
   ATOM 1801 O A GLN A 87 ? -5.23344 47.46856 23.25109 0.718 10.36326 O ? A ? 86 O 1
   ATOM 1802 CB A GLN A 87 ? -4.46569 44.86819 25.08819 0.718 12.67220 C ? A ? 86 CB 1
   ATOM 1803 CG A GLN A 87 ? -3.88356 43.48754 24.77826 0.718 13.95438 C ? A ? 86 CG 1
   ATOM 1804 CD A GLN A 87 ? -4.88049 42.47597 24.90420 0.718 12.31876 C ? A ? 86 CD 1
   ATOM 1805 OE1 A GLN A 87 ? -5.89116 42.21544 24.13922 0.718 15.27823 O ? A ? 86 OE1 1
   ATOM 1806 NE2 A GLN A 87 ? -4.68077 41.90401 25.94681 0.718 13.28592 N ? A ? 86 NE2 1
   ATOM 1807 H A GLN A 87 ? -2.24413 45.65848 25.59195 0.718 9.48677 H ? A ? 86 H 1
   ATOM 1808 HA A GLN A 87 ? -3.65813 45.57558 23.36174 0.718 12.22295 H ? A ? 86 HA 1
   ATOM 1809 HB2 A GLN A 87 ? -4.35799 45.05315 26.03428 0.718 15.20664 H ? A ? 86 HB2 1
   ATOM 1810 HB3 A GLN A 87 ? -5.40689 44.87592 24.85368 0.718 15.20664 H ? A ? 86 HB3 1
   ATOM 1811 HG2 A GLN A 87 ? -3.54603 43.47567 23.86896 0.718 16.74525 H ? A ? 86 HG2 1
   ATOM 1812 HG3 A GLN A 87 ? -3.16608 43.29195 25.40105 0.718 16.74525 H ? A ? 86 HG3 1
   ATOM 1813 HE21 A GLN A 87 ? -4.02581 42.14351 26.45006 0.718 15.94310 H ? A ? 86 HE21 1
   ATOM 1814 HE22 A GLN A 87 ? -5.19329 41.25658 26.18714 0.718 15.94310 H ? A ? 86 HE22 1
   ATOM 1815 N B GLN A 87 ? -2.22778 46.10029 24.94373 0.282 8.68356 N ? A ? 86 N 1
   ATOM 1816 CA B GLN A 87 ? -3.60799 45.89126 24.66444 0.282 6.37944 C ? A ? 86 CA 1
   ATOM 1817 C B GLN A 87 ? -4.38031 47.19003 24.52544 0.282 10.86705 C ? A ? 86 C 1
   ATOM 1818 O B GLN A 87 ? -5.31970 47.23439 23.71139 0.282 5.65238 O ? A ? 86 O 1
   ATOM 1819 CB B GLN A 87 ? -4.13842 44.99170 25.76178 0.282 5.73550 C ? A ? 86 CB 1
   ATOM 1820 CG B GLN A 87 ? -3.70189 43.59558 25.57337 0.282 5.97504 C ? A ? 86 CG 1
   ATOM 1821 CD B GLN A 87 ? -4.93560 42.71793 25.83915 0.282 17.54872 C ? A ? 86 CD 1
   ATOM 1822 OE1 B GLN A 87 ? -6.07589 43.17097 26.06965 0.282 21.18006 O ? A ? 86 OE1 1
   ATOM 1823 NE2 B GLN A 87 ? -4.74863 41.49128 25.67497 0.282 14.85739 N ? A ? 86 NE2 1
   ATOM 1824 H B GLN A 87 ? -1.97345 45.71893 25.67138 0.282 10.42027 H ? A ? 86 H 1
   ATOM 1825 HA B GLN A 87 ? -3.73581 45.45127 23.80947 0.282 7.65533 H ? A ? 86 HA 1
   ATOM 1826 HB2 B GLN A 87 ? -3.80766 45.30250 26.61905 0.282 6.88260 H ? A ? 86 HB2 1
   ATOM 1827 HB3 B GLN A 87 ? -5.10815 45.01276 25.75291 0.282 6.88260 H ? A ? 86 HB3 1
   ATOM 1828 HG2 B GLN A 87 ? -3.39094 43.45568 24.66527 0.282 7.17004 H ? A ? 86 HG2 1
   ATOM 1829 HG3 B GLN A 87 ? -2.99916 43.37064 26.20303 0.282 7.17004 H ? A ? 86 HG3 1
   ATOM 1830 HE21 B GLN A 87 ? -3.97572 41.20284 25.43206 0.282 17.82887 H ? A ? 86 HE21 1
   ATOM 1831 HE22 B GLN A 87 ? -5.39309 40.93688 25.80507 0.282 17.82887 H ? A ? 86 HE22 1
   ATOM 1832 N A ASP A 88 ? -4.31065 48.09489 25.20397 0.718 8.14004 N ? A ? 87 N 1
   ATOM 1833 CA A ASP A 88 ? -4.88049 49.43655 25.13368 0.718 9.49351 C ? A ? 87 CA 1
   ATOM 1834 C A ASP A 88 ? -4.38801 50.17917 23.89255 0.718 8.04167 C ? A ? 87 C 1
   ATOM 1835 O A ASP A 88 ? -5.20770 50.77955 23.18498 0.718 9.34726 O ? A ? 87 O 1
   ATOM 1836 CB A ASP A 88 ? -4.61474 50.25759 26.39258 0.718 7.61143 C ? A ? 87 CB 1
   ATOM 1837 CG A ASP A 88 ? -5.26367 49.76138 27.67770 0.718 14.98644 C ? A ? 87 CG 1
   ATOM 1838 OD1 A ASP A 88 ? -6.24790 49.00816 27.59516 0.718 17.68944 O ? A ? 87 OD1 1
   ATOM 1839 OD2 A ASP A 88 ? -4.82453 50.34716 28.77001 0.718 13.31708 O ? A ? 87 OD2 1
   ATOM 1840 H A ASP A 88 ? -3.87757 47.92312 25.92683 0.718 9.76805 H ? A ? 87 H 1
   ATOM 1841 HA A ASP A 88 ? -5.84353 49.33364 25.08014 0.718 11.39221 H ? A ? 87 HA 1
   ATOM 1842 HB2 A ASP A 88 ? -3.65705 50.27298 26.54590 0.718 9.13372 H ? A ? 87 HB2 1
   ATOM 1843 HB3 A ASP A 88 ? -4.94073 51.15826 26.23952 0.718 9.13372 H ? A ? 87 HB3 1
   ATOM 1844 N B ASP A 88 ? -3.98026 48.25729 25.25546 0.282 8.06516 N ? A ? 87 N 1
   ATOM 1845 CA B ASP A 88 ? -4.58535 49.59464 25.12003 0.282 8.91054 C ? A ? 87 CA 1
   ATOM 1846 C B ASP A 88 ? -4.08997 50.34599 23.86990 0.282 7.37098 C ? A ? 87 C 1
   ATOM 1847 O B ASP A 88 ? -4.83139 51.13566 23.26615 0.282 6.99213 O ? A ? 87 O 1
   ATOM 1848 CB B ASP A 88 ? -4.17119 50.43759 26.33918 0.282 9.38226 C ? A ? 87 CB 1
   ATOM 1849 CG B ASP A 88 ? -4.74241 49.96264 27.74499 0.282 9.53452 C ? A ? 87 CG 1
   ATOM 1850 OD1 B ASP A 88 ? -5.71760 49.17817 27.89627 0.282 10.31697 O ? A ? 87 OD1 1
   ATOM 1851 OD2 B ASP A 88 ? -4.24385 50.50260 28.79249 0.282 8.17596 O ? A ? 87 OD2 1
   ATOM 1852 H B ASP A 88 ? -3.35230 48.22948 25.84240 0.282 9.67819 H ? A ? 87 H 1
   ATOM 1853 HA B ASP A 88 ? -5.54684 49.48079 25.06105 0.282 10.69265 H ? A ? 87 HA 1
   ATOM 1854 HB2 B ASP A 88 ? -3.20350 50.42169 26.40405 0.282 11.25871 H ? A ? 87 HB2 1
   ATOM 1855 HB3 B ASP A 88 ? -4.47935 51.34645 26.19807 0.282 11.25871 H ? A ? 87 HB3 1
   ATOM 1856 N A ASN A 89 ? -3.09208 50.08350 23.56410 0.718 7.55345 N ? A ? 88 N 1
   ATOM 1857 CA A ASN A 89 ? -2.61226 50.64218 22.30335 0.718 9.96580 C ? A ? 88 CA 1
   ATOM 1858 C A ASN A 89 ? -3.19658 49.89116 21.08427 0.718 7.97054 C ? A ? 88 C 1
   ATOM 1859 O A ASN A 89 ? -3.51546 50.52558 20.03371 0.718 9.32885 O ? A ? 88 O 1
   ATOM 1860 CB A ASN A 89 ? -1.08706 50.71169 22.33179 0.718 8.54551 C ? A ? 88 CB 1
   ATOM 1861 CG A ASN A 89 ? -0.63522 51.92119 23.05779 0.718 9.82344 C ? A ? 88 CG 1
   ATOM 1862 OD1 A ASN A 89 ? -1.28853 52.95075 23.02115 0.718 11.35165 O ? A ? 88 OD1 1
   ATOM 1863 ND2 A ASN A 89 ? 0.50140 51.85172 23.65006 0.718 10.08962 N ? A ? 88 ND2 1
   ATOM 1864 H A ASN A 89 ? -2.48677 49.70763 24.04569 0.718 9.06415 H ? A ? 88 H 1
   ATOM 1865 HA A ASN A 89 ? -2.91361 51.55770 22.19424 0.718 11.95896 H ? A ? 88 HA 1
   ATOM 1866 HB2 A ASN A 89 ? -0.73491 49.92954 22.78470 0.718 10.25462 H ? A ? 88 HB2 1
   ATOM 1867 HB3 A ASN A 89 ? -0.74697 50.75069 21.42420 0.718 10.25462 H ? A ? 88 HB3 1
   ATOM 1868 HD21 A ASN A 89 ? 0.80261 52.53067 24.08354 0.718 12.10755 H ? A ? 88 HD21 1
   ATOM 1869 HD22 A ASN A 89 ? 0.96175 51.12623 23.61340 0.718 12.10755 H ? A ? 88 HD22 1
   ATOM 1870 N B ASN A 89 ? -2.80183 50.21240 23.54718 0.282 6.59040 N ? A ? 88 N 1
   ATOM 1871 CA B ASN A 89 ? -2.29553 50.82101 22.33150 0.282 8.23411 C ? A ? 88 CA 1
   ATOM 1872 C B ASN A 89 ? -2.93814 50.18923 21.09303 0.282 6.75164 C ? A ? 88 C 1
   ATOM 1873 O B ASN A 89 ? -3.09083 50.89645 20.09050 0.282 6.17001 O ? A ? 88 O 1
   ATOM 1874 CB B ASN A 89 ? -0.75725 50.79092 22.32586 0.282 7.84262 C ? A ? 88 CB 1
   ATOM 1875 CG B ASN A 89 ? -0.16536 51.80242 23.32533 0.282 9.03553 C ? A ? 88 CG 1
   ATOM 1876 OD1 B ASN A 89 ? 0.10840 52.93320 22.92284 0.282 12.00349 O ? A ? 88 OD1 1
   ATOM 1877 ND2 B ASN A 89 ? 0.04125 51.41374 24.61278 0.282 7.42381 N ? A ? 88 ND2 1
   ATOM 1878 H B ASN A 89 ? -2.21730 49.78254 24.00886 0.282 7.90847 H ? A ? 88 H 1
   ATOM 1879 HA B ASN A 89 ? -2.52775 51.76220 22.29776 0.282 9.88094 H ? A ? 88 HA 1
   ATOM 1880 HB2 B ASN A 89 ? -0.45329 49.90387 22.57416 0.282 9.41114 H ? A ? 88 HB2 1
   ATOM 1881 HB3 B ASN A 89 ? -0.43571 51.01556 21.43870 0.282 9.41114 H ? A ? 88 HB3 1
   ATOM 1882 HD21 B ASN A 89 ? 0.37108 51.96802 25.18162 0.282 8.90857 H ? A ? 88 HD21 1
   ATOM 1883 HD22 B ASN A 89 ? -0.15799 50.61379 24.85768 0.282 8.90857 H ? A ? 88 HD22 1
   ATOM 1884 N A ILE A 90 ? -3.49617 48.62814 21.17848 0.718 9.06039 N ? A ? 89 N 1
   ATOM 1885 CA A ILE A 90 ? -4.14511 47.99106 20.02519 0.718 8.69745 C ? A ? 89 CA 1
   ATOM 1886 C A ILE A 90 ? -5.56516 48.54413 19.89523 0.718 8.54379 C ? A ? 89 C 1
   ATOM 1887 O A ILE A 90 ? -6.09678 48.62619 18.78480 0.718 9.52335 O ? A ? 89 O 1
   ATOM 1888 CB A ILE A 90 ? -4.19437 46.47656 20.18250 0.718 10.58274 C ? A ? 89 CB 1
   ATOM 1889 CG1 A ILE A 90 ? -2.77036 45.85475 20.06669 0.718 10.36933 C ? A ? 89 CG1 1
   ATOM 1890 CG2 A ILE A 90 ? -5.09207 45.93949 19.13659 0.718 13.75899 C ? A ? 89 CG2 1
   ATOM 1891 CD1 A ILE A 90 ? -2.12234 45.80948 18.68051 0.718 11.62657 C ? A ? 89 CD1 1
   ATOM 1892 H A ILE A 90 ? -3.34952 48.12303 21.85889 0.718 10.87246 H ? A ? 89 H 1
   ATOM 1893 HA A ILE A 90 ? -3.62460 48.18881 19.23092 0.718 10.43694 H ? A ? 89 HA 1
   ATOM 1894 HB A ILE A 90 ? -4.53119 46.24860 21.06312 0.718 12.69929 H ? A ? 89 HB 1
   ATOM 1895 HG12 A ILE A 90 ? -2.17578 46.36820 20.63567 0.718 12.44320 H ? A ? 89 HG12 1
   ATOM 1896 HG13 A ILE A 90 ? -2.82085 44.93840 20.38080 0.718 12.44320 H ? A ? 89 HG13 1
   ATOM 1897 HG21 A ILE A 90 ? -4.92973 44.98816 19.03910 0.718 16.51079 H ? A ? 89 HG21 1
   ATOM 1898 HG22 A ILE A 90 ? -6.01259 46.09253 19.40143 0.718 16.51079 H ? A ? 89 HG22 1
   ATOM 1899 HG23 A ILE A 90 ? -4.90885 46.39382 18.29939 0.718 16.51079 H ? A ? 89 HG23 1
   ATOM 1900 HD11 A ILE A 90 ? -1.19813 45.52985 18.77294 0.718 13.95188 H ? A ? 89 HD11 1
   ATOM 1901 HD12 A ILE A 90 ? -2.60558 45.17666 18.12651 0.718 13.95188 H ? A ? 89 HD12 1
   ATOM 1902 HD13 A ILE A 90 ? -2.16227 46.69393 18.28421 0.718 13.95188 H ? A ? 89 HD13 1
   ATOM 1903 N B ILE A 90 ? -3.30721 48.87175 21.12996 0.282 6.64642 N ? A ? 89 N 1
   ATOM 1904 CA B ILE A 90 ? -4.05610 48.12530 20.06528 0.282 8.96792 C ? A ? 89 CA 1
   ATOM 1905 C B ILE A 90 ? -5.40273 48.79876 19.84216 0.282 7.73719 C ? A ? 89 C 1
   ATOM 1906 O B ILE A 90 ? -5.73108 49.16260 18.68471 0.282 5.16676 O ? A ? 89 O 1
   ATOM 1907 CB B ILE A 90 ? -4.23910 46.60287 20.45540 0.282 10.28532 C ? A ? 89 CB 1
   ATOM 1908 CG1 B ILE A 90 ? -2.97592 45.71354 20.22828 0.282 9.54172 C ? A ? 89 CG1 1
   ATOM 1909 CG2 B ILE A 90 ? -5.46512 45.69299 19.74488 0.282 5.99956 C ? A ? 89 CG2 1
   ATOM 1910 CD1 B ILE A 90 ? -2.57066 45.52543 18.72179 0.282 7.24414 C ? A ? 89 CD1 1
   ATOM 1911 H B ILE A 90 ? -3.12687 48.35864 21.79614 0.282 7.97571 H ? A ? 89 H 1
   ATOM 1912 HA B ILE A 90 ? -3.54070 48.15212 19.24398 0.282 10.76151 H ? A ? 89 HA 1
   ATOM 1913 HB B ILE A 90 ? -4.46201 46.77470 21.38367 0.282 12.34238 H ? A ? 89 HB 1
   ATOM 1914 HG12 B ILE A 90 ? -2.22414 46.12300 20.68443 0.282 11.45007 H ? A ? 89 HG12 1
   ATOM 1915 HG13 B ILE A 90 ? -3.14808 44.83300 20.59695 0.282 11.45007 H ? A ? 89 HG13 1
   ATOM 1916 HG21 B ILE A 90 ? -5.26602 44.75060 19.85965 0.282 7.19947 H ? A ? 89 HG21 1
   ATOM 1917 HG22 B ILE A 90 ? -6.30759 45.90785 20.17496 0.282 7.19947 H ? A ? 89 HG22 1
   ATOM 1918 HG23 B ILE A 90 ? -5.51150 45.90862 18.80029 0.282 7.19947 H ? A ? 89 HG23 1
   ATOM 1919 HD11 B ILE A 90 ? -1.85745 44.87035 18.66605 0.282 8.69297 H ? A ? 89 HD11 1
   ATOM 1920 HD12 B ILE A 90 ? -3.34322 45.21655 18.22314 0.282 8.69297 H ? A ? 89 HD12 1
   ATOM 1921 HD13 B ILE A 90 ? -2.26698 46.37598 18.36789 0.282 8.69297 H ? A ? 89 HD13 1
   ATOM 1922 N . VAL A 91 ? -6.18472 48.99033 20.99028 1.000 10.31388 N ? A ? 90 N 1
   ATOM 1923 CA . VAL A 91 ? -7.53261 49.57380 20.92590 1.000 11.17760 C ? A ? 90 CA 1
   ATOM 1924 C . VAL A 91 ? -7.46623 50.90235 20.20625 1.000 9.93217 C ? A ? 90 C 1
   ATOM 1925 O . VAL A 91 ? -8.29591 51.18005 19.25549 1.000 11.29312 O ? A ? 90 O 1
   ATOM 1926 CB . VAL A 91 ? -8.17748 49.72639 22.32348 1.000 9.95489 C ? A ? 90 CB 1
   ATOM 1927 CG1 . VAL A 91 ? -9.48870 50.59150 22.16343 1.000 12.22633 C ? A ? 90 CG1 1
   ATOM 1928 CG2 . VAL A 91 ? -8.53716 48.48603 22.89704 1.000 13.63847 C ? A ? 90 CG2 1
   ATOM 1929 HA . VAL A 91 ? -8.09771 48.95987 20.43127 1.000 13.41312 H ? A ? 90 HA 1
   ATOM 1930 HB . VAL A 91 ? -7.52999 50.14420 22.91263 1.000 11.94587 H ? A ? 90 HB 1
   ATOM 1931 HG11 . VAL A 91 ? -10.00738 50.53302 22.98102 1.000 14.67160 H ? A ? 90 HG11 1
   ATOM 1932 HG12 . VAL A 91 ? -9.23992 51.51376 21.99478 1.000 14.67160 H ? A ? 90 HG12 1
   ATOM 1933 HG13 . VAL A 91 ? -10.00551 50.24678 21.41847 1.000 14.67160 H ? A ? 90 HG13 1
   ATOM 1934 HG21 . VAL A 91 ? -8.96035 48.64575 23.75512 1.000 16.36616 H ? A ? 90 HG21 1
   ATOM 1935 HG22 . VAL A 91 ? -9.15456 48.03076 22.30337 1.000 16.36616 H ? A ? 90 HG22 1
   ATOM 1936 HG23 . VAL A 91 ? -7.73771 47.94998 23.01718 1.000 16.36616 H ? A ? 90 HG23 1
   ATOM 1937 H A VAL A 91 ? -5.85047 48.96848 21.78237 0.718 12.37665 H ? A ? 90 H 1
   ATOM 1938 H B VAL A 91 ? -5.93463 48.78479 21.78703 0.282 12.37665 H ? A ? 90 H 1
   ATOM 1939 N . LYS A 92 ? -6.38927 51.69184 20.40558 1.000 11.31891 N ? A ? 91 N 1
   ATOM 1940 CA . LYS A 92 ? -6.20664 52.96253 19.74571 1.000 11.42178 C ? A ? 91 CA 1
   ATOM 1941 C . LYS A 92 ? -5.90318 52.75811 18.24893 1.000 11.84455 C ? A ? 91 C 1
   ATOM 1942 O . LYS A 92 ? -6.25704 53.60362 17.39330 1.000 11.97484 O ? A ? 91 O 1
   ATOM 1943 H . LYS A 92 ? -5.74178 51.49389 20.93584 1.000 13.58270 H ? A ? 91 H 1
   ATOM 1944 HA . LYS A 92 ? -7.01978 53.48155 19.84727 1.000 13.70614 H ? A ? 91 HA 1
   ATOM 1945 CB A LYS A 92 ? -5.04024 53.73137 20.38668 0.550 13.28533 C ? A ? 91 CB 1
   ATOM 1946 CG A LYS A 92 ? -4.77911 55.11216 19.88681 0.550 11.77056 C ? A ? 91 CG 1
   ATOM 1947 CD A LYS A 92 ? -4.40339 56.12408 21.00308 0.550 19.40454 C ? A ? 91 CD 1
   ATOM 1948 CE A LYS A 92 ? -3.27340 55.71653 21.90580 0.550 12.98019 C ? A ? 91 CE 1
   ATOM 1949 NZ A LYS A 92 ? -2.11656 54.98714 21.23050 0.550 11.42093 N ? A ? 91 NZ 1
   ATOM 1950 HB2 A LYS A 92 ? -5.21779 53.80499 21.33744 0.550 15.94240 H ? A ? 91 HB2 1
   ATOM 1951 HB3 A LYS A 92 ? -4.22899 53.22044 20.23926 0.550 15.94240 H ? A ? 91 HB3 1
   ATOM 1952 HG2 A LYS A 92 ? -4.04257 55.08187 19.25634 0.550 14.12467 H ? A ? 91 HG2 1
   ATOM 1953 HG3 A LYS A 92 ? -5.57866 55.44151 19.44733 0.550 14.12467 H ? A ? 91 HG3 1
   ATOM 1954 HD2 A LYS A 92 ? -4.14632 56.95951 20.58251 0.550 23.28545 H ? A ? 91 HD2 1
   ATOM 1955 HD3 A LYS A 92 ? -5.18255 56.26118 21.56434 0.550 23.28545 H ? A ? 91 HD3 1
   ATOM 1956 HE2 A LYS A 92 ? -2.90806 56.51566 22.31667 0.550 15.57622 H ? A ? 91 HE2 1
   ATOM 1957 HE3 A LYS A 92 ? -3.62669 55.12452 22.58816 0.550 15.57622 H ? A ? 91 HE3 1
   ATOM 1958 HZ1 A LYS A 92 ? -1.35941 55.14321 21.67149 0.550 13.70512 H ? A ? 91 HZ1 1
   ATOM 1959 HZ2 A LYS A 92 ? -2.27161 54.11078 21.22393 0.550 13.70512 H ? A ? 91 HZ2 1
   ATOM 1960 HZ3 A LYS A 92 ? -2.02602 55.27075 20.39177 0.550 13.70512 H ? A ? 91 HZ3 1
   ATOM 1961 CB B LYS A 92 ? -5.05260 53.76493 20.34032 0.450 13.21183 C ? A ? 91 CB 1
   ATOM 1962 CG B LYS A 92 ? -5.40732 54.33851 21.70112 0.450 8.48763 C ? A ? 91 CG 1
   ATOM 1963 CD B LYS A 92 ? -4.17657 54.70075 22.52064 0.450 12.12469 C ? A ? 91 CD 1
   ATOM 1964 CE B LYS A 92 ? -2.99843 55.14441 21.65873 0.450 20.05915 C ? A ? 91 CE 1
   ATOM 1965 NZ B LYS A 92 ? -3.32305 56.35680 20.90075 0.450 24.67215 N ? A ? 91 NZ 1
   ATOM 1966 HB2 B LYS A 92 ? -4.28168 53.18570 20.44557 0.450 15.85420 H ? A ? 91 HB2 1
   ATOM 1967 HB3 B LYS A 92 ? -4.83604 54.50088 19.74671 0.450 15.85420 H ? A ? 91 HB3 1
   ATOM 1968 HG2 B LYS A 92 ? -5.93428 55.14362 21.57856 0.450 10.18516 H ? A ? 91 HG2 1
   ATOM 1969 HG3 B LYS A 92 ? -5.91726 53.68091 22.19953 0.450 10.18516 H ? A ? 91 HG3 1
   ATOM 1970 HD2 B LYS A 92 ? -4.39963 55.42997 23.12012 0.450 14.54963 H ? A ? 91 HD2 1
   ATOM 1971 HD3 B LYS A 92 ? -3.89763 53.92480 23.03151 0.450 14.54963 H ? A ? 91 HD3 1
   ATOM 1972 HE2 B LYS A 92 ? -2.23609 55.33385 22.22779 0.450 24.07098 H ? A ? 91 HE2 1
   ATOM 1973 HE3 B LYS A 92 ? -2.77606 54.44026 21.02974 0.450 24.07098 H ? A ? 91 HE3 1
   ATOM 1974 HZ1 B LYS A 92 ? -4.02081 56.20584 20.36929 0.450 29.60659 H ? A ? 91 HZ1 1
   ATOM 1975 HZ2 B LYS A 92 ? -3.52343 57.02032 21.45904 0.450 29.60659 H ? A ? 91 HZ2 1
   ATOM 1976 HZ3 B LYS A 92 ? -2.62710 56.59935 20.40183 0.450 29.60659 H ? A ? 91 HZ3 1
   ATOM 1977 N . LEU A 93 ? -5.09739 51.73664 17.89102 1.000 11.07249 N ? A ? 92 N 1
   ATOM 1978 CA . LEU A 93 ? -4.88378 51.35735 16.51786 1.000 10.97487 C ? A ? 92 CA 1
   ATOM 1979 C . LEU A 93 ? -6.18342 50.98660 15.81217 1.000 9.73329 C ? A ? 92 C 1
   ATOM 1980 O . LEU A 93 ? -6.38802 51.39184 14.63212 1.000 10.73739 O ? A ? 92 O 1
   ATOM 1981 CB . LEU A 93 ? -3.83844 50.24308 16.44686 1.000 9.21312 C ? A ? 92 CB 1
   ATOM 1982 CG . LEU A 93 ? -3.35973 49.85394 15.06136 1.000 9.63266 C ? A ? 92 CG 1
   ATOM 1983 CD1 . LEU A 93 ? -2.72761 50.94952 14.42639 1.000 12.06665 C ? A ? 92 CD1 1
   ATOM 1984 CD2 . LEU A 93 ? -2.47252 48.67860 15.12705 1.000 10.41571 C ? A ? 92 CD2 1
   ATOM 1985 H . LEU A 93 ? -4.66205 51.24860 18.44950 1.000 13.28699 H ? A ? 92 H 1
   ATOM 1986 HA . LEU A 93 ? -4.52860 52.11880 16.03315 1.000 13.16985 H ? A ? 92 HA 1
   ATOM 1987 HB2 . LEU A 93 ? -3.05896 50.52964 16.94806 1.000 11.05574 H ? A ? 92 HB2 1
   ATOM 1988 HB3 . LEU A 93 ? -4.21885 49.44766 16.85120 1.000 11.05574 H ? A ? 92 HB3 1
   ATOM 1989 HG . LEU A 93 ? -4.12419 49.60673 14.51786 1.000 11.55919 H ? A ? 92 HG 1
   ATOM 1990 HD11 . LEU A 93 ? -2.39106 50.66290 13.56298 1.000 14.47998 H ? A ? 92 HD11 1
   ATOM 1991 HD12 . LEU A 93 ? -3.37450 51.66274 14.30908 1.000 14.47998 H ? A ? 92 HD12 1
   ATOM 1992 HD13 . LEU A 93 ? -1.99412 51.25633 14.98205 1.000 14.47998 H ? A ? 92 HD13 1
   ATOM 1993 HD21 . LEU A 93 ? -2.15141 48.47505 14.23467 1.000 12.49885 H ? A ? 92 HD21 1
   ATOM 1994 HD22 . LEU A 93 ? -1.72390 48.88022 15.70999 1.000 12.49885 H ? A ? 92 HD22 1
   ATOM 1995 HD23 . LEU A 93 ? -2.97203 47.92513 15.47872 1.000 12.49885 H ? A ? 92 HD23 1
   ATOM 1996 N . SER A 94 ? -7.00002 50.13227 16.40968 1.000 11.20166 N ? A ? 93 N 1
   ATOM 1997 CA . SER A 94 ? -8.31739 49.85948 15.85537 1.000 11.28506 C ? A ? 93 CA 1
   ATOM 1998 C . SER A 94 ? -9.06180 51.14919 15.57767 1.000 8.70829 C ? A ? 93 C 1
   ATOM 1999 O . SER A 94 ? -9.75394 51.29708 14.55663 1.000 10.97004 O ? A ? 93 O 1
   ATOM 2000 CB . SER A 94 ? -9.05810 48.89309 16.78273 1.000 12.31786 C ? A ? 93 CB 1
   ATOM 2001 OG . SER A 94 ? -8.38806 47.63983 16.81096 1.000 12.99258 O ? A ? 93 OG 1
   ATOM 2002 H . SER A 94 ? -6.81846 49.70039 17.13086 1.000 13.44199 H ? A ? 93 H 1
   ATOM 2003 HA . SER A 94 ? -8.24973 49.41052 14.99820 1.000 13.54207 H ? A ? 93 HA 1
   ATOM 2004 HB2 . SER A 94 ? -9.08006 49.26386 17.67881 1.000 14.78143 H ? A ? 93 HB2 1
   ATOM 2005 HB3 . SER A 94 ? -9.96183 48.76486 16.45451 1.000 14.78143 H ? A ? 93 HB3 1
   ATOM 2006 HG . SER A 94 ? -8.85787 47.07189 17.21386 1.000 15.59109 H ? A ? 93 HG 1
   ATOM 2007 N . ALA A 95 ? -9.06648 52.09592 16.54330 1.000 11.62167 N ? A ? 94 N 1
   ATOM 2008 CA . ALA A 95 ? -9.81106 53.33724 16.33915 1.000 10.36539 C ? A ? 94 CA 1
   ATOM 2009 C . ALA A 95 ? -9.29459 54.09128 15.14478 1.000 10.74654 C ? A ? 94 C 1
   ATOM 2010 O . ALA A 95 ? -10.09268 54.62582 14.33069 1.000 13.07087 O ? A ? 94 O 1
   ATOM 2011 CB . ALA A 95 ? -9.83331 54.11859 17.64401 1.000 12.05788 C ? A ? 94 CB 1
   ATOM 2012 H . ALA A 95 ? -8.65721 52.03686 17.29736 1.000 13.94600 H ? A ? 94 H 1
   ATOM 2013 HA . ALA A 95 ? -10.74074 53.16094 16.12578 1.000 12.43847 H ? A ? 94 HA 1
   ATOM 2014 HB1 . ALA A 95 ? -10.35468 54.92699 17.51919 1.000 14.46945 H ? A ? 94 HB1 1
   ATOM 2015 HB2 . ALA A 95 ? -10.23566 53.56882 18.33449 1.000 14.46945 H ? A ? 94 HB2 1
   ATOM 2016 HB3 . ALA A 95 ? -8.92345 54.34665 17.89110 1.000 14.46945 H ? A ? 94 HB3 1
   ATOM 2017 N . ALA A 96 ? -7.99864 54.20530 15.00103 1.000 11.15976 N ? A ? 95 N 1
   ATOM 2018 CA . ALA A 96 ? -7.41574 54.90524 13.85550 1.000 13.14338 C ? A ? 95 CA 1
   ATOM 2019 C . ALA A 96 ? -7.77972 54.22333 12.53754 1.000 10.50320 C ? A ? 95 C 1
   ATOM 2020 O . ALA A 96 ? -8.14407 54.89446 11.54623 1.000 12.20173 O ? A ? 95 O 1
   ATOM 2021 CB . ALA A 96 ? -5.90510 54.88969 13.97576 1.000 13.19855 C ? A ? 95 CB 1
   ATOM 2022 H . ALA A 96 ? -7.41737 53.88836 15.54992 1.000 13.39171 H ? A ? 95 H 1
   ATOM 2023 HA . ALA A 96 ? -7.75144 55.81530 13.85505 1.000 15.77205 H ? A ? 95 HA 1
   ATOM 2024 HB1 . ALA A 96 ? -5.52194 55.32608 13.19881 1.000 15.83826 H ? A ? 95 HB1 1
   ATOM 2025 HB2 . ALA A 96 ? -5.64758 55.36366 14.78194 1.000 15.83826 H ? A ? 95 HB2 1
   ATOM 2026 HB3 . ALA A 96 ? -5.60142 53.96960 14.02170 1.000 15.83826 H ? A ? 95 HB3 1
   ATOM 2027 N . ALA A 97 ? -7.70422 52.90312 12.50046 1.000 9.28998 N ? A ? 96 N 1
   ATOM 2028 CA . ALA A 97 ? -7.99260 52.19096 11.27088 1.000 10.41852 C ? A ? 96 CA 1
   ATOM 2029 C . ALA A 97 ? -9.47427 52.29894 10.94123 1.000 9.87623 C ? A ? 96 C 1
   ATOM 2030 O . ALA A 97 ? -9.85040 52.41139 9.75477 1.000 11.83276 O ? A ? 96 O 1
   ATOM 2031 CB . ALA A 97 ? -7.68046 50.72878 11.44486 1.000 12.35069 C ? A ? 96 CB 1
   ATOM 2032 H . ALA A 97 ? -7.49070 52.40174 13.16576 1.000 11.14798 H ? A ? 96 H 1
   ATOM 2033 HA . ALA A 97 ? -7.45013 52.56600 10.55956 1.000 12.50223 H ? A ? 96 HA 1
   ATOM 2034 HB1 . ALA A 97 ? -7.89571 50.25999 10.62340 1.000 14.82083 H ? A ? 96 HB1 1
   ATOM 2035 HB2 . ALA A 97 ? -6.73661 50.62899 11.64507 1.000 14.82083 H ? A ? 96 HB2 1
   ATOM 2036 HB3 . ALA A 97 ? -8.21260 50.37703 12.17562 1.000 14.82083 H ? A ? 96 HB3 1
   ATOM 2037 N . ASP A 98 ? -10.34478 52.16179 11.93878 1.000 11.87131 N ? A ? 97 N 1
   ATOM 2038 CA . ASP A 98 ? -11.78258 52.31786 11.70532 1.000 13.69706 C ? A ? 97 CA 1
   ATOM 2039 C . ASP A 98 ? -12.10925 53.73786 11.22688 1.000 14.88312 C ? A ? 97 C 1
   ATOM 2040 O . ASP A 98 ? -13.04688 53.92796 10.39659 1.000 17.85310 O ? A ? 97 O 1
   ATOM 2041 CB . ASP A 98 ? -12.51743 52.02602 13.00798 1.000 13.04505 C ? A ? 97 CB 1
   ATOM 2042 CG . ASP A 98 ? -12.58404 50.53050 13.39153 1.000 14.05901 C ? A ? 97 CG 1
   ATOM 2043 OD1 . ASP A 98 ? -12.04891 49.67676 12.61014 1.000 15.34855 O ? A ? 97 OD1 1
   ATOM 2044 OD2 . ASP A 98 ? -13.03748 50.20671 14.56476 1.000 15.92189 O ? A ? 97 OD2 1
   ATOM 2045 H . ASP A 98 ? -10.13438 51.98035 12.75266 1.000 14.24557 H ? A ? 97 H 1
   ATOM 2046 HA . ASP A 98 ? -12.07983 51.69377 11.02484 1.000 16.43647 H ? A ? 97 HA 1
   ATOM 2047 HB2 . ASP A 98 ? -12.06494 52.49189 13.72848 1.000 15.65406 H ? A ? 97 HB2 1
   ATOM 2048 HB3 . ASP A 98 ? -13.42916 52.34695 12.92642 1.000 15.65406 H ? A ? 97 HB3 1
   ATOM 2049 N A ALA A 99 ? -11.31248 54.72800 11.61849 0.306 15.73496 N ? A ? 98 N 1
   ATOM 2050 CA A ALA A 99 ? -11.54499 56.09042 11.17557 0.306 18.15779 C ? A ? 98 CA 1
   ATOM 2051 C A ALA A 99 ? -11.12124 56.30318 9.72474 0.306 17.17334 C ? A ? 98 C 1
   ATOM 2052 O A ALA A 99 ? -11.67027 57.19487 9.06215 0.306 17.51894 O ? A ? 98 O 1
   ATOM 2053 CB A ALA A 99 ? -10.84916 57.10231 12.09485 0.306 19.47880 C ? A ? 98 CB 1
   ATOM 2054 H A ALA A 99 ? -10.63389 54.63444 12.13846 0.306 18.88195 H ? A ? 98 H 1
   ATOM 2055 HA A ALA A 99 ? -12.49673 56.26723 11.23741 0.306 21.78934 H ? A ? 98 HA 1
   ATOM 2056 HB1 A ALA A 99 ? -11.02212 57.99845 11.76633 0.306 23.37456 H ? A ? 98 HB1 1
   ATOM 2057 HB2 A ALA A 99 ? -11.20056 57.00600 12.99382 0.306 23.37456 H ? A ? 98 HB2 1
   ATOM 2058 HB3 A ALA A 99 ? -9.89506 56.92742 12.09215 0.306 23.37456 H ? A ? 98 HB3 1
   ATOM 2059 N B ALA A 99 ? -11.31999 54.76302 11.58568 0.694 15.65207 N ? A ? 98 N 1
   ATOM 2060 CA B ALA A 99 ? -11.52081 56.14717 11.16636 0.694 18.25968 C ? A ? 98 CA 1
   ATOM 2061 C B ALA A 99 ? -10.94751 56.43825 9.77348 0.694 16.69506 C ? A ? 98 C 1
   ATOM 2062 O B ALA A 99 ? -11.26386 57.50332 9.16546 0.694 17.51647 O ? A ? 98 O 1
   ATOM 2063 CB B ALA A 99 ? -10.97600 57.13131 12.20605 0.694 19.22599 C ? A ? 98 CB 1
   ATOM 2064 H B ALA A 99 ? -10.63242 54.67281 12.09432 0.694 18.78248 H ? A ? 98 H 1
   ATOM 2065 HA B ALA A 99 ? -12.47497 56.31621 11.12265 0.694 21.91162 H ? A ? 98 HA 1
   ATOM 2066 HB1 B ALA A 99 ? -11.14585 58.03698 11.90303 0.694 23.07119 H ? A ? 98 HB1 1
   ATOM 2067 HB2 B ALA A 99 ? -11.42357 56.97632 13.05255 0.694 23.07119 H ? A ? 98 HB2 1
   ATOM 2068 HB3 B ALA A 99 ? -10.02163 56.98933 12.30561 0.694 23.07119 H ? A ? 98 HB3 1
   ATOM 2069 N . GLY A 100 ? -10.17648 55.50672 9.20520 1.000 16.22059 N ? A ? 99 N 1
   ATOM 2070 CA . GLY A 100 ? -9.59770 55.75736 7.88423 1.000 15.74022 C ? A ? 99 CA 1
   ATOM 2071 C . GLY A 100 ? -8.60112 56.90006 7.74571 1.000 15.60091 C ? A ? 99 C 1
   ATOM 2072 O . GLY A 100 ? -8.50281 57.55424 6.70355 1.000 18.38328 O ? A ? 99 O 1
   ATOM 2073 HA2 . GLY A 100 ? -9.14176 54.94966 7.60026 1.000 18.88826 H ? A ? 99 HA2 1
   ATOM 2074 HA3 . GLY A 100 ? -10.32536 55.94185 7.26992 1.000 18.88826 H ? A ? 99 HA3 1
   ATOM 2075 H A GLY A 100 ? -9.85466 54.81399 9.60036 0.306 19.46471 H ? A ? 99 H 1
   ATOM 2076 H B GLY A 100 ? -9.97969 54.74530 9.55321 0.694 19.46471 H ? A ? 99 H 1
   ATOM 2077 N . ASP A 101 ? -7.82216 57.15785 8.77597 1.000 19.46195 N ? A ? 100 N 1
   ATOM 2078 CA . ASP A 101 ? -6.93800 58.31459 8.77096 1.000 26.41292 C ? A ? 100 CA 1
   ATOM 2079 C . ASP A 101 ? -5.47136 57.90547 8.86199 1.000 18.84369 C ? A ? 100 C 1
   ATOM 2080 O . ASP A 101 ? -5.03282 57.44786 9.93986 1.000 19.16865 O ? A ? 100 O 1
   ATOM 2081 CB . ASP A 101 ? -7.27843 59.19041 9.94973 1.000 29.95500 C ? A ? 100 CB 1
   ATOM 2082 CG . ASP A 101 ? -6.49470 60.55186 9.93751 1.000 37.48717 C ? A ? 100 CG 1
   ATOM 2083 OD1 . ASP A 101 ? -7.13699 61.67936 9.89989 1.000 40.68335 O ? A ? 100 OD1 1
   ATOM 2084 OD2 . ASP A 101 ? -5.29587 60.55639 10.01589 1.000 45.57157 O ? A ? 100 OD2 1
   ATOM 2085 H . ASP A 101 ? -7.78510 56.68052 9.49038 1.000 23.35434 H ? A ? 100 H 1
   ATOM 2086 HA . ASP A 101 ? -7.04921 58.77384 7.92383 1.000 31.69551 H ? A ? 100 HA 1
   ATOM 2087 HB2 . ASP A 101 ? -8.22754 59.38989 9.93228 1.000 35.94600 H ? A ? 100 HB2 1
   ATOM 2088 HB3 . ASP A 101 ? -7.05302 58.72127 10.76827 1.000 35.94600 H ? A ? 100 HB3 1
   ATOM 2089 N . LEU A 102 ? -4.72398 58.08510 7.77533 1.000 21.27597 N ? A ? 101 N 1
   ATOM 2090 CA . LEU A 102 ? -3.33321 57.62799 7.71125 1.000 19.86235 C ? A ? 101 CA 1
   ATOM 2091 C . LEU A 102 ? -2.46561 58.33977 8.76256 1.000 17.46050 C ? A ? 101 C 1
   ATOM 2092 O . LEU A 102 ? -1.61035 57.70647 9.42628 1.000 14.74653 O ? A ? 101 O 1
   ATOM 2093 CB . LEU A 102 ? -2.65386 57.77080 6.33119 1.000 14.74531 C ? A ? 101 CB 1
   ATOM 2094 CG . LEU A 102 ? -1.27668 57.25885 6.04999 1.000 16.41361 C ? A ? 101 CG 1
   ATOM 2095 CD1 . LEU A 102 ? -1.17369 55.75871 6.49308 1.000 15.81054 C ? A ? 101 CD1 1
   ATOM 2096 CD2 . LEU A 102 ? -0.91321 57.54239 4.56302 1.000 16.39626 C ? A ? 101 CD2 1
   ATOM 2097 H . LEU A 102 ? -4.99627 58.47029 7.05624 1.000 25.53116 H ? A ? 101 H 1
   ATOM 2098 HA . LEU A 102 ? -3.38400 56.67413 7.87996 1.000 23.83482 H ? A ? 101 HA 1
   ATOM 2099 HB2 . LEU A 102 ? -3.23043 57.32275 5.69267 1.000 17.69437 H ? A ? 101 HB2 1
   ATOM 2100 HB3 . LEU A 102 ? -2.61984 58.72073 6.13790 1.000 17.69437 H ? A ? 101 HB3 1
   ATOM 2101 HG . LEU A 102 ? -0.59888 57.71994 6.56853 1.000 19.69633 H ? A ? 101 HG 1
   ATOM 2102 HD11 . LEU A 102 ? -0.29052 55.42404 6.27196 1.000 18.97265 H ? A ? 101 HD11 1
   ATOM 2103 HD12 . LEU A 102 ? -1.31898 55.70150 7.45043 1.000 18.97265 H ? A ? 101 HD12 1
   ATOM 2104 HD13 . LEU A 102 ? -1.84933 55.24396 6.02463 1.000 18.97265 H ? A ? 101 HD13 1
   ATOM 2105 HD21 . LEU A 102 ? -0.03130 57.18267 4.37937 1.000 19.67552 H ? A ? 101 HD21 1
   ATOM 2106 HD22 . LEU A 102 ? -1.57009 57.11614 3.99055 1.000 19.67552 H ? A ? 101 HD22 1
   ATOM 2107 HD23 . LEU A 102 ? -0.91705 58.50090 4.41422 1.000 19.67552 H ? A ? 101 HD23 1
   ATOM 2108 N . ASP A 103 ? -2.69779 59.62159 9.03137 1.000 18.84259 N ? A ? 102 N 1
   ATOM 2109 CA . ASP A 103 ? -1.91600 60.30384 10.08246 1.000 19.14580 C ? A ? 102 CA 1
   ATOM 2110 C . ASP A 103 ? -2.14540 59.63859 11.44202 1.000 17.65632 C ? A ? 102 C 1
   ATOM 2111 O . ASP A 103 ? -1.22298 59.49092 12.32005 1.000 17.86438 O ? A ? 102 O 1
   ATOM 2112 H . ASP A 103 ? -3.28307 60.11271 8.63659 1.000 22.61111 H ? A ? 102 H 1
   ATOM 2113 HA . ASP A 103 ? -0.96900 60.27423 9.87461 1.000 22.97496 H ? A ? 102 HA 1
   ATOM 2114 CB A ASP A 103 ? -2.43502 61.75178 10.15419 0.703 25.54924 C ? A ? 102 CB 1
   ATOM 2115 CG A ASP A 103 ? -1.36626 62.78848 10.00203 0.703 29.40223 C ? A ? 102 CG 1
   ATOM 2116 OD1 A ASP A 103 ? -0.58432 62.65729 9.09244 0.703 24.55965 O ? A ? 102 OD1 1
   ATOM 2117 OD2 A ASP A 103 ? -1.31459 63.74818 10.81501 0.703 35.69140 O ? A ? 102 OD2 1
   ATOM 2118 HB2 A ASP A 103 ? -3.08037 61.88697 9.44275 0.703 30.65909 H ? A ? 102 HB2 1
   ATOM 2119 HB3 A ASP A 103 ? -2.85804 61.88871 11.01628 0.703 30.65909 H ? A ? 102 HB3 1
   ATOM 2120 CB B ASP A 103 ? -2.38748 61.75778 10.22233 0.297 25.50923 C ? A ? 102 CB 1
   ATOM 2121 CG B ASP A 103 ? -2.38535 62.51905 8.91456 0.297 23.42958 C ? A ? 102 CG 1
   ATOM 2122 OD1 B ASP A 103 ? -1.56382 62.20116 8.04983 0.297 28.21205 O ? A ? 102 OD1 1
   ATOM 2123 OD2 B ASP A 103 ? -3.20740 63.44756 8.76066 0.297 27.65278 O ? A ? 102 OD2 1
   ATOM 2124 HB2 B ASP A 103 ? -3.29420 61.76163 10.56691 0.297 30.61108 H ? A ? 102 HB2 1
   ATOM 2125 HB3 B ASP A 103 ? -1.79707 62.22114 10.83684 0.297 30.61108 H ? A ? 102 HB3 1
   ATOM 2126 N . LYS A 104 ? -3.39870 59.42484 11.76246 1.000 19.70371 N ? A ? 103 N 1
   ATOM 2127 CA . LYS A 104 ? -3.67034 58.82758 13.04551 1.000 19.50575 C ? A ? 103 CA 1
   ATOM 2128 C . LYS A 104 ? -3.12878 57.39667 13.12577 1.000 15.66496 C ? A ? 103 C 1
   ATOM 2129 O . LYS A 104 ? -2.63546 56.95204 14.19307 1.000 15.61331 O ? A ? 103 O 1
   ATOM 2130 CB . LYS A 104 ? -5.15665 58.80519 13.31730 1.000 26.48844 C ? A ? 103 CB 1
   ATOM 2131 CG . LYS A 104 ? -5.82759 60.14997 13.52464 1.000 35.44021 C ? A ? 103 CG 1
   ATOM 2132 CD . LYS A 104 ? -7.33219 59.88424 13.61972 1.000 41.85583 C ? A ? 103 CD 1
   ATOM 2133 CE . LYS A 104 ? -8.19337 61.24574 13.85279 1.000 49.23230 C ? A ? 103 CE 1
   ATOM 2134 NZ . LYS A 104 ? -8.05282 61.82613 15.03276 1.000 46.94192 N ? A ? 103 NZ 1
   ATOM 2135 H . LYS A 104 ? -4.08363 59.60841 11.27587 1.000 23.64445 H ? A ? 103 H 1
   ATOM 2136 HA . LYS A 104 ? -3.23494 59.37069 13.72106 1.000 23.40690 H ? A ? 103 HA 1
   ATOM 2137 HB2 . LYS A 104 ? -5.59447 58.38251 12.56195 1.000 31.78613 H ? A ? 103 HB2 1
   ATOM 2138 HB3 . LYS A 104 ? -5.30773 58.28504 14.12198 1.000 31.78613 H ? A ? 103 HB3 1
   ATOM 2139 HG2 . LYS A 104 ? -5.51805 60.55992 14.34746 1.000 42.52825 H ? A ? 103 HG2 1
   ATOM 2140 HG3 . LYS A 104 ? -5.64883 60.73732 12.77366 1.000 42.52825 H ? A ? 103 HG3 1
   ATOM 2141 HD2 . LYS A 104 ? -7.63487 59.47504 12.79398 1.000 50.22700 H ? A ? 103 HD2 1
   ATOM 2142 HD3 . LYS A 104 ? -7.50270 59.28941 14.36671 1.000 50.22700 H ? A ? 103 HD3 1
   ATOM 2143 HE2 . LYS A 104 ? -7.92526 61.89324 13.18215 1.000 59.07876 H ? A ? 103 HE2 1
   ATOM 2144 HE3 . LYS A 104 ? -9.13382 61.03160 13.74992 1.000 59.07876 H ? A ? 103 HE3 1
   ATOM 2145 HZ1 . LYS A 104 ? -8.52944 62.57721 15.06125 1.000 56.33031 H ? A ? 103 HZ1 1
   ATOM 2146 HZ2 . LYS A 104 ? -8.33553 61.28007 15.67618 1.000 56.33031 H ? A ? 103 HZ2 1
   ATOM 2147 HZ3 . LYS A 104 ? -7.19645 62.02188 15.17563 1.000 56.33031 H ? A ? 103 HZ3 1
   ATOM 2148 N . LEU A 105 ? -3.25661 56.65179 12.05310 1.000 15.48139 N ? A ? 104 N 1
   ATOM 2149 CA . LEU A 105 ? -2.72322 55.30271 11.96233 1.000 13.17756 C ? A ? 104 CA 1
   ATOM 2150 C . LEU A 105 ? -1.22787 55.28457 12.16954 1.000 12.01534 C ? A ? 104 C 1
   ATOM 2151 O . LEU A 105 ? -0.71663 54.45024 12.95804 1.000 11.27886 O ? A ? 104 O 1
   ATOM 2152 CB . LEU A 105 ? -3.07743 54.72432 10.60841 1.000 14.98434 C ? A ? 104 CB 1
   ATOM 2153 CG . LEU A 105 ? -2.74155 53.27027 10.35786 1.000 18.07113 C ? A ? 104 CG 1
   ATOM 2154 CD1 . LEU A 105 ? -3.82315 52.44120 11.00605 1.000 15.35700 C ? A ? 104 CD1 1
   ATOM 2155 CD2 . LEU A 105 ? -2.58724 52.90937 8.92752 1.000 20.46220 C ? A ? 104 CD2 1
   ATOM 2156 H . LEU A 105 ? -3.65961 56.90507 11.33683 1.000 18.57767 H ? A ? 104 H 1
   ATOM 2157 HA . LEU A 105 ? -3.12125 54.75219 12.65471 1.000 15.81307 H ? A ? 104 HA 1
   ATOM 2158 HB2 . LEU A 105 ? -4.03577 54.81522 10.48910 1.000 17.98120 H ? A ? 104 HB2 1
   ATOM 2159 HB3 . LEU A 105 ? -2.60871 55.24051 9.93407 1.000 17.98120 H ? A ? 104 HB3 1
   ATOM 2160 HG . LEU A 105 ? -1.86980 53.08490 10.74074 1.000 21.68535 H ? A ? 104 HG 1
   ATOM 2161 HD11 . LEU A 105 ? -3.63573 51.50192 10.85263 1.000 18.42841 H ? A ? 104 HD11 1
   ATOM 2162 HD12 . LEU A 105 ? -3.83400 52.62508 11.95839 1.000 18.42841 H ? A ? 104 HD12 1
   ATOM 2163 HD13 . LEU A 105 ? -4.67875 52.67610 10.61404 1.000 18.42841 H ? A ? 104 HD13 1
   ATOM 2164 HD21 . LEU A 105 ? -2.39616 51.96077 8.86001 1.000 24.55465 H ? A ? 104 HD21 1
   ATOM 2165 HD22 . LEU A 105 ? -3.41149 53.11490 8.45926 1.000 24.55465 H ? A ? 104 HD22 1
   ATOM 2166 HD23 . LEU A 105 ? -1.85550 53.42190 8.54966 1.000 24.55465 H ? A ? 104 HD23 1
   ATOM 2167 N . ARG A 106 ? -0.47140 56.21058 11.62462 1.000 13.15232 N ? A ? 105 N 1
   ATOM 2168 CA . ARG A 106 ? 0.97149 56.23487 11.81310 1.000 11.91256 C ? A ? 105 CA 1
   ATOM 2169 C . ARG A 106 ? 1.31197 56.42762 13.25542 1.000 12.58567 C ? A ? 105 C 1
   ATOM 2170 O . ARG A 106 ? 2.26492 55.78260 13.78288 1.000 13.10915 O ? A ? 105 O 1
   ATOM 2171 H . ARG A 106 ? -0.76684 56.85031 11.13161 1.000 15.78278 H ? A ? 105 H 1
   ATOM 2172 HA . ARG A 106 ? 1.36076 55.40424 11.49782 1.000 14.29507 H ? A ? 105 HA 1
   ATOM 2173 CB A ARG A 106 ? 1.51560 57.46103 11.03147 0.771 16.67149 C ? A ? 105 CB 1
   ATOM 2174 CG A ARG A 106 ? 1.81467 57.35011 9.61319 0.771 26.29952 C ? A ? 105 CG 1
   ATOM 2175 CD A ARG A 106 ? 3.02271 58.37224 9.23854 0.771 27.14349 C ? A ? 105 CD 1
   ATOM 2176 NE A ARG A 106 ? 2.98233 59.71800 9.84488 0.771 25.39287 N ? A ? 105 NE 1
   ATOM 2177 CZ A ARG A 106 ? 3.97152 60.62574 9.77398 0.771 21.80008 C ? A ? 105 CZ 1
   ATOM 2178 NH1 A ARG A 106 ? 5.13913 60.32300 9.23087 0.771 28.49906 N ? A ? 105 NH1 1
   ATOM 2179 NH2 A ARG A 106 ? 3.76052 61.88112 10.21341 0.771 21.56813 N ? A ? 105 NH2 1
   ATOM 2180 HB2 A ARG A 106 ? 0.85605 58.16774 11.11192 0.771 20.00579 H ? A ? 105 HB2 1
   ATOM 2181 HB3 A ARG A 106 ? 2.34344 57.72950 11.45984 0.771 20.00579 H ? A ? 105 HB3 1
   ATOM 2182 HG2 A ARG A 106 ? 2.09307 56.44463 9.40463 0.771 31.55942 H ? A ? 105 HG2 1
   ATOM 2183 HG3 A ARG A 106 ? 1.03127 57.58480 9.09156 0.771 31.55942 H ? A ? 105 HG3 1
   ATOM 2184 HD2 A ARG A 106 ? 3.85709 57.96388 9.51773 0.771 32.57218 H ? A ? 105 HD2 1
   ATOM 2185 HD3 A ARG A 106 ? 3.02036 58.49792 8.27672 0.771 32.57218 H ? A ? 105 HD3 1
   ATOM 2186 HE A ARG A 106 ? 2.27168 59.93797 10.27638 0.771 30.47144 H ? A ? 105 HE 1
   ATOM 2187 HH11 A ARG A 106 ? 5.27527 59.53449 8.91572 0.771 34.19887 H ? A ? 105 HH11 1
   ATOM 2188 HH12 A ARG A 106 ? 5.76207 60.91470 9.19292 0.771 34.19887 H ? A ? 105 HH12 1
   ATOM 2189 HH21 A ARG A 106 ? 2.99486 62.10004 10.53814 0.771 25.88176 H ? A ? 105 HH21 1
   ATOM 2190 HH22 A ARG A 106 ? 4.39143 62.46387 10.16931 0.771 25.88176 H ? A ? 105 HH22 1
   ATOM 2191 CB B ARG A 106 ? 1.55046 57.41638 11.02236 0.229 16.69861 C ? A ? 105 CB 1
   ATOM 2192 CG B ARG A 106 ? 1.64449 57.29150 9.53471 0.229 24.78653 C ? A ? 105 CG 1
   ATOM 2193 CD B ARG A 106 ? 2.67949 58.35047 9.00754 0.229 20.99299 C ? A ? 105 CD 1
   ATOM 2194 NE B ARG A 106 ? 4.00411 58.18096 9.61255 0.229 20.58202 N ? A ? 105 NE 1
   ATOM 2195 CZ B ARG A 106 ? 4.90821 59.14153 9.74633 0.229 22.82594 C ? A ? 105 CZ 1
   ATOM 2196 NH1 B ARG A 106 ? 4.66625 60.38850 9.34500 0.229 24.85331 N ? A ? 105 NH1 1
   ATOM 2197 NH2 B ARG A 106 ? 6.09137 58.84021 10.27596 0.229 24.41221 N ? A ? 105 NH2 1
   ATOM 2198 HB2 B ARG A 106 ? 0.99462 58.19102 11.20089 0.229 20.03833 H ? A ? 105 HB2 1
   ATOM 2199 HB3 B ARG A 106 ? 2.45173 57.57333 11.34484 0.229 20.03833 H ? A ? 105 HB3 1
   ATOM 2200 HG2 B ARG A 106 ? 1.94999 56.40276 9.29446 0.229 29.74384 H ? A ? 105 HG2 1
   ATOM 2201 HG3 B ARG A 106 ? 0.77967 57.46537 9.13129 0.229 29.74384 H ? A ? 105 HG3 1
   ATOM 2202 HD2 B ARG A 106 ? 2.77187 58.25423 8.04676 0.229 25.19159 H ? A ? 105 HD2 1
   ATOM 2203 HD3 B ARG A 106 ? 2.36107 59.24111 9.22266 0.229 25.19159 H ? A ? 105 HD3 1
   ATOM 2204 HE B ARG A 106 ? 4.21060 57.39828 9.90303 0.229 24.69842 H ? A ? 105 HE 1
   ATOM 2205 HH11 B ARG A 106 ? 3.90870 60.58637 8.98923 0.229 29.82398 H ? A ? 105 HH11 1
   ATOM 2206 HH12 B ARG A 106 ? 5.26758 60.99567 9.44169 0.229 29.82398 H ? A ? 105 HH12 1
   ATOM 2207 HH21 B ARG A 106 ? 6.25847 58.03404 10.52450 0.229 29.29465 H ? A ? 105 HH21 1
   ATOM 2208 HH22 B ARG A 106 ? 6.68882 59.45165 10.36966 0.229 29.29465 H ? A ? 105 HH22 1
   ATOM 2209 N . ALA A 107 ? 0.62989 57.36625 13.90535 1.000 12.64493 N ? A ? 106 N 1
   ATOM 2210 CA . ALA A 107 ? 0.93186 57.64728 15.31444 1.000 13.42937 C ? A ? 106 CA 1
   ATOM 2211 C . ALA A 107 ? 0.60124 56.41995 16.14685 1.000 10.66511 C ? A ? 106 C 1
   ATOM 2212 O . ALA A 107 ? 1.33631 56.04926 17.10487 1.000 11.70682 O ? A ? 106 O 1
   ATOM 2213 CB . ALA A 107 ? 0.13083 58.88612 15.81242 1.000 16.09911 C ? A ? 106 CB 1
   ATOM 2214 H . ALA A 107 ? 0.00168 57.84585 13.56632 1.000 15.17392 H ? A ? 106 H 1
   ATOM 2215 HA . ALA A 107 ? 1.87240 57.86336 15.41235 1.000 16.11525 H ? A ? 106 HA 1
   ATOM 2216 HB1 . ALA A 107 ? 0.32826 59.03358 16.75060 1.000 19.31893 H ? A ? 106 HB1 1
   ATOM 2217 HB2 . ALA A 107 ? 0.39402 59.66197 15.29309 1.000 19.31893 H ? A ? 106 HB2 1
   ATOM 2218 HB3 . ALA A 107 ? -0.81720 58.71662 15.69657 1.000 19.31893 H ? A ? 106 HB3 1
   ATOM 2219 N . ALA A 108 ? -0.55966 55.86361 15.97343 1.000 11.31434 N ? A ? 107 N 1
   ATOM 2220 CA . ALA A 108 ? -1.00692 54.70713 16.74060 1.000 11.92553 C ? A ? 107 CA 1
   ATOM 2221 C . ALA A 108 ? -0.10685 53.49074 16.50251 1.000 9.21360 C ? A ? 107 C 1
   ATOM 2222 O . ALA A 108 ? 0.14373 52.69553 17.45073 1.000 10.21232 O ? A ? 107 O 1
   ATOM 2223 CB . ALA A 108 ? -2.46541 54.34455 16.46855 1.000 14.28059 C ? A ? 107 CB 1
   ATOM 2224 H . ALA A 108 ? -1.14131 56.13391 15.40052 1.000 13.57720 H ? A ? 107 H 1
   ATOM 2225 HA . ALA A 108 ? -0.95638 54.96070 17.67550 1.000 14.31064 H ? A ? 107 HA 1
   ATOM 2226 HB1 . ALA A 108 ? -2.70019 53.56407 16.99450 1.000 17.13670 H ? A ? 107 HB1 1
   ATOM 2227 HB2 . ALA A 108 ? -3.02890 55.09352 16.71841 1.000 17.13670 H ? A ? 107 HB2 1
   ATOM 2228 HB3 . ALA A 108 ? -2.57185 54.15117 15.52400 1.000 17.13670 H ? A ? 107 HB3 1
   ATOM 2229 N . PHE A 109 ? 0.35830 53.29132 15.26593 1.000 9.48857 N ? A ? 108 N 1
   ATOM 2230 CA . PHE A 109 ? 1.28792 52.19316 14.94552 1.000 8.57135 C ? A ? 108 CA 1
   ATOM 2231 C . PHE A 109 ? 2.57884 52.35331 15.69225 1.000 9.93501 C ? A ? 108 C 1
   ATOM 2232 O . PHE A 109 ? 3.08795 51.36800 16.31456 1.000 9.15818 O ? A ? 108 O 1
   ATOM 2233 CB . PHE A 109 ? 1.46557 52.20897 13.42780 1.000 9.02076 C ? A ? 108 CB 1
   ATOM 2234 CG . PHE A 109 ? 2.40343 51.12497 12.89625 1.000 7.33673 C ? A ? 108 CG 1
   ATOM 2235 CD1 . PHE A 109 ? 3.69704 51.33321 12.82301 1.000 9.09143 C ? A ? 108 CD1 1
   ATOM 2236 CD2 . PHE A 109 ? 1.87085 49.91999 12.51162 1.000 9.86274 C ? A ? 108 CD2 1
   ATOM 2237 CE1 . PHE A 109 ? 4.55170 50.28377 12.27362 1.000 10.87053 C ? A ? 108 CE1 1
   ATOM 2238 CE2 . PHE A 109 ? 2.64277 48.90544 11.98922 1.000 9.52344 C ? A ? 108 CE2 1
   ATOM 2239 CZ . PHE A 109 ? 3.94630 49.09072 11.88343 1.000 9.18307 C ? A ? 108 CZ 1
   ATOM 2240 H . PHE A 109 ? 0.15308 53.77759 14.58694 1.000 11.38629 H ? A ? 108 H 1
   ATOM 2241 HA . PHE A 109 ? 0.94339 51.32575 15.20970 1.000 10.28562 H ? A ? 108 HA 1
   ATOM 2242 HB2 . PHE A 109 ? 0.59882 52.07780 13.01253 1.000 10.82491 H ? A ? 108 HB2 1
   ATOM 2243 HB3 . PHE A 109 ? 1.83164 53.06860 13.16715 1.000 10.82491 H ? A ? 108 HB3 1
   ATOM 2244 HD1 . PHE A 109 ? 4.06373 52.13601 13.11617 1.000 10.90972 H ? A ? 108 HD1 1
   ATOM 2245 HD2 . PHE A 109 ? 0.95591 49.78339 12.60707 1.000 11.83529 H ? A ? 108 HD2 1
   ATOM 2246 HE1 . PHE A 109 ? 5.46935 50.40765 12.18709 1.000 13.04464 H ? A ? 108 HE1 1
   ATOM 2247 HE2 . PHE A 109 ? 2.25376 48.10596 11.71647 1.000 11.42813 H ? A ? 108 HE2 1
   ATOM 2248 HZ . PHE A 109 ? 4.47418 48.40672 11.53937 1.000 11.01969 H ? A ? 108 HZ 1
   ATOM 2249 N . GLY A 110 ? 3.08120 53.53894 15.79898 1.000 10.41458 N ? A ? 109 N 1
   ATOM 2250 CA . GLY A 110 ? 4.27710 53.79916 16.56317 1.000 11.12918 C ? A ? 109 CA 1
   ATOM 2251 C . GLY A 110 ? 4.10603 53.49618 18.03974 1.000 9.31994 C ? A ? 109 C 1
   ATOM 2252 O . GLY A 110 ? 5.01603 52.89268 18.69303 1.000 10.47458 O ? A ? 109 O 1
   ATOM 2253 H . GLY A 110 ? 2.74804 54.24162 15.43176 1.000 12.49750 H ? A ? 109 H 1
   ATOM 2254 HA2 . GLY A 110 ? 5.00046 53.25050 16.22169 1.000 13.35501 H ? A ? 109 HA2 1
   ATOM 2255 HA3 . GLY A 110 ? 4.51881 54.73396 16.47029 1.000 13.35501 H ? A ? 109 HA3 1
   ATOM 2256 N . ASP A 111 ? 2.94314 53.83795 18.57248 1.000 9.95500 N ? A ? 110 N 1
   ATOM 2257 CA . ASP A 111 ? 2.70875 53.57862 19.99634 1.000 9.69859 C ? A ? 110 CA 1
   ATOM 2258 C . ASP A 111 ? 2.63245 52.08334 20.27964 1.000 8.91094 C ? A ? 110 C 1
   ATOM 2259 O . ASP A 111 ? 3.14769 51.57693 21.30198 1.000 8.94506 O ? A ? 110 O 1
   ATOM 2260 CB . ASP A 111 ? 1.37828 54.23062 20.43241 1.000 12.53686 C ? A ? 110 CB 1
   ATOM 2261 CG . ASP A 111 ? 1.40918 55.76234 20.54875 1.000 17.01265 C ? A ? 110 CG 1
   ATOM 2262 OD1 . ASP A 111 ? 2.46798 56.35685 20.40114 1.000 18.33321 O ? A ? 110 OD1 1
   ATOM 2263 OD2 . ASP A 111 ? 0.25732 56.28209 20.68336 1.000 15.32459 O ? A ? 110 OD2 1
   ATOM 2264 H . ASP A 111 ? 2.29099 54.20889 18.15211 1.000 11.94600 H ? A ? 110 H 1
   ATOM 2265 HA . ASP A 111 ? 3.44180 53.96356 20.50167 1.000 11.63831 H ? A ? 110 HA 1
   ATOM 2266 HB2 . ASP A 111 ? 0.69696 54.00326 19.78049 1.000 15.04423 H ? A ? 110 HB2 1
   ATOM 2267 HB3 . ASP A 111 ? 1.13499 53.87879 21.30300 1.000 15.04423 H ? A ? 110 HB3 1
   ATOM 2268 N . VAL A 112 ? 1.99606 51.31227 19.40909 1.000 8.58341 N ? A ? 111 N 1
   ATOM 2269 CA . VAL A 112 ? 1.96930 49.86108 19.53310 1.000 7.95676 C ? A ? 111 CA 1
   ATOM 2270 C . VAL A 112 ? 3.39477 49.33922 19.50796 1.000 7.52538 C ? A ? 111 C 1
   ATOM 2271 O . VAL A 112 ? 3.78993 48.50790 20.36186 1.000 7.53324 O ? A ? 111 O 1
   ATOM 2272 CB . VAL A 112 ? 1.05901 49.17272 18.46660 1.000 8.00237 C ? A ? 111 CB 1
   ATOM 2273 CG1 . VAL A 112 ? 1.31347 47.72026 18.46752 1.000 8.01018 C ? A ? 111 CG1 1
   ATOM 2274 CG2 . VAL A 112 ? -0.41836 49.57629 18.70279 1.000 8.84803 C ? A ? 111 CG2 1
   ATOM 2275 H . VAL A 112 ? 1.56458 51.60745 18.72624 1.000 10.30009 H ? A ? 111 H 1
   ATOM 2276 HA . VAL A 112 ? 1.56358 49.63902 20.38573 1.000 9.54811 H ? A ? 111 HA 1
   ATOM 2277 HB . VAL A 112 ? 1.26652 49.47304 17.56791 1.000 9.60285 H ? A ? 111 HB 1
   ATOM 2278 HG11 . VAL A 112 ? 0.64899 47.28289 17.91248 1.000 9.61221 H ? A ? 111 HG11 1
   ATOM 2279 HG12 . VAL A 112 ? 2.20116 47.55495 18.11314 1.000 9.61221 H ? A ? 111 HG12 1
   ATOM 2280 HG13 . VAL A 112 ? 1.25376 47.38976 19.37752 1.000 9.61221 H ? A ? 111 HG13 1
   ATOM 2281 HG21 . VAL A 112 ? -0.97327 49.15104 18.03038 1.000 10.61764 H ? A ? 111 HG21 1
   ATOM 2282 HG22 . VAL A 112 ? -0.68805 49.28387 19.58747 1.000 10.61764 H ? A ? 111 HG22 1
   ATOM 2283 HG23 . VAL A 112 ? -0.49700 50.54072 18.63493 1.000 10.61764 H ? A ? 111 HG23 1
   ATOM 2284 N . GLY A 113 ? 4.18375 49.72306 18.49693 1.000 7.77734 N ? A ? 112 N 1
   ATOM 2285 CA . GLY A 113 ? 5.53359 49.18577 18.37880 1.000 7.88583 C ? A ? 112 CA 1
   ATOM 2286 C . GLY A 113 ? 6.35556 49.45788 19.65503 1.000 8.40590 C ? A ? 112 C 1
   ATOM 2287 O . GLY A 113 ? 7.14632 48.60314 20.09227 1.000 9.70681 O ? A ? 112 O 1
   ATOM 2288 H . GLY A 113 ? 3.96266 50.28145 17.88136 1.000 9.33281 H ? A ? 112 H 1
   ATOM 2289 HA2 . GLY A 113 ? 5.49118 48.22745 18.23483 1.000 9.46299 H ? A ? 112 HA2 1
   ATOM 2290 HA3 . GLY A 113 ? 5.98366 49.59871 17.62527 1.000 9.46299 H ? A ? 112 HA3 1
   ATOM 2291 N A ALA A 114 ? 6.19223 50.64701 20.24752 0.140 8.75355 N ? A ? 113 N 1
   ATOM 2292 CA A ALA A 114 ? 6.93588 50.97489 21.46254 0.140 9.04297 C ? A ? 113 CA 1
   ATOM 2293 C A ALA A 114 ? 6.51605 50.07456 22.61275 0.140 7.79546 C ? A ? 113 C 1
   ATOM 2294 O A ALA A 114 ? 7.33546 49.72303 23.47674 0.140 8.80589 O ? A ? 113 O 1
   ATOM 2295 CB A ALA A 114 ? 6.71133 52.44064 21.84031 0.140 11.12242 C ? A ? 113 CB 1
   ATOM 2296 H A ALA A 114 ? 5.66642 51.26825 19.96971 0.140 10.50426 H ? A ? 113 H 1
   ATOM 2297 HA A ALA A 114 ? 7.88350 50.85081 21.29667 0.140 10.85156 H ? A ? 113 HA 1
   ATOM 2298 HB1 A ALA A 114 ? 7.19632 52.63393 22.65782 0.140 13.34690 H ? A ? 113 HB1 1
   ATOM 2299 HB2 A ALA A 114 ? 7.03616 53.00532 21.12162 0.140 13.34690 H ? A ? 113 HB2 1
   ATOM 2300 HB3 A ALA A 114 ? 5.76249 52.59016 21.97538 0.140 13.34690 H ? A ? 113 HB3 1
   ATOM 2301 N B ALA A 114 ? 6.19821 50.65883 20.24769 0.860 8.67801 N ? A ? 113 N 1
   ATOM 2302 CA B ALA A 114 ? 6.92229 50.97542 21.46159 0.860 8.99158 C ? A ? 113 CA 1
   ATOM 2303 C B ALA A 114 ? 6.49517 50.03760 22.57848 0.860 7.59143 C ? A ? 113 C 1
   ATOM 2304 O B ALA A 114 ? 7.32527 49.63163 23.44182 0.860 8.75222 O ? A ? 113 O 1
   ATOM 2305 CB B ALA A 114 ? 6.65123 52.43021 21.85397 0.860 11.19479 C ? A ? 113 CB 1
   ATOM 2306 H B ALA A 114 ? 5.68467 51.28656 19.96162 0.860 10.41362 H ? A ? 113 H 1
   ATOM 2307 HA B ALA A 114 ? 7.87585 50.87511 21.31474 0.860 10.78989 H ? A ? 113 HA 1
   ATOM 2308 HB1 B ALA A 114 ? 7.14872 52.63773 22.66040 0.860 13.43375 H ? A ? 113 HB1 1
   ATOM 2309 HB2 B ALA A 114 ? 6.93619 53.01065 21.13093 0.860 13.43375 H ? A ? 113 HB2 1
   ATOM 2310 HB3 B ALA A 114 ? 5.70103 52.54250 22.01339 0.860 13.43375 H ? A ? 113 HB3 1
   ATOM 2311 N . SER A 115 ? 5.25035 49.69981 22.66732 1.000 7.27190 N ? A ? 114 N 1
   ATOM 2312 CA . SER A 115 ? 4.80743 48.74752 23.67728 1.000 7.42699 C ? A ? 114 CA 1
   ATOM 2313 C . SER A 115 ? 5.26224 47.33270 23.45652 1.000 7.04612 C ? A ? 114 C 1
   ATOM 2314 O . SER A 115 ? 5.58564 46.62149 24.42202 1.000 7.97155 O ? A ? 114 O 1
   ATOM 2315 CB . SER A 115 ? 3.33731 48.80804 23.74612 1.000 9.64254 C ? A ? 114 CB 1
   ATOM 2316 OG . SER A 115 ? 2.60532 49.89154 24.17658 1.000 12.90747 O ? A ? 114 OG 1
   ATOM 2317 HA . SER A 115 ? 5.20673 49.00872 24.52181 1.000 8.91239 H ? A ? 114 HA 1
   ATOM 2318 HB2 . SER A 115 ? 3.03171 48.63605 22.84172 1.000 11.57105 H ? A ? 114 HB2 1
   ATOM 2319 HB3 . SER A 115 ? 3.07831 48.07685 24.32851 1.000 11.57105 H ? A ? 114 HB3 1
   ATOM 2320 HG . SER A 115 ? 2.85837 50.58605 23.77755 1.000 15.48896 H ? A ? 114 HG 1
   ATOM 2321 H A SER A 115 ? 4.63097 49.97657 22.13876 0.140 8.72628 H ? A ? 114 H 1
   ATOM 2322 H B SER A 115 ? 4.62298 49.99859 22.16063 0.860 8.72628 H ? A ? 114 H 1
   ATOM 2323 N A CYS A 116 ? 5.30699 46.87783 22.19343 0.511 7.75822 N ? A ? 115 N 1
   ATOM 2324 CA A CYS A 116 ? 6.02727 45.63907 21.86414 0.511 8.77889 C ? A ? 115 CA 1
   ATOM 2325 C A CYS A 116 ? 7.38678 45.66642 22.55786 0.511 7.47243 C ? A ? 115 C 1
   ATOM 2326 O A CYS A 116 ? 7.72701 44.76215 23.36891 0.511 8.26734 O ? A ? 115 O 1
   ATOM 2327 CB A CYS A 116 ? 6.30471 45.50785 20.36198 0.511 6.57323 C ? A ? 115 CB 1
   ATOM 2328 SG A CYS A 116 ? 4.89071 45.47014 19.24498 0.511 7.21267 S ? A ? 115 SG 1
   ATOM 2329 H A CYS A 116 ? 4.93429 47.26234 21.52049 0.511 9.30987 H ? A ? 115 H 1
   ATOM 2330 HA A CYS A 116 ? 5.46971 44.89505 22.14066 0.511 10.53467 H ? A ? 115 HA 1
   ATOM 2331 HB2 A CYS A 116 ? 6.85063 46.26386 20.09493 0.511 7.88788 H ? A ? 115 HB2 1
   ATOM 2332 HB3 A CYS A 116 ? 6.79214 44.68091 20.22241 0.511 7.88788 H ? A ? 115 HB3 1
   ATOM 2333 N B CYS A 116 ? 5.35760 46.85804 22.20579 0.489 7.90365 N ? A ? 115 N 1
   ATOM 2334 CA B CYS A 116 ? 5.98616 45.54474 21.95630 0.489 8.79992 C ? A ? 115 CA 1
   ATOM 2335 C B CYS A 116 ? 7.47046 45.55724 22.42495 0.489 8.11111 C ? A ? 115 C 1
   ATOM 2336 O B CYS A 116 ? 7.99474 44.57674 23.02185 0.489 7.99763 O ? A ? 115 O 1
   ATOM 2337 CB B CYS A 116 ? 5.87710 45.20267 20.47535 0.489 7.58814 C ? A ? 115 CB 1
   ATOM 2338 SG B CYS A 116 ? 4.41052 45.45250 19.46341 0.489 8.29284 S ? A ? 115 SG 1
   ATOM 2339 H B CYS A 116 ? 5.07535 47.26229 21.50115 0.489 9.48438 H ? A ? 115 H 1
   ATOM 2340 HA B CYS A 116 ? 5.52113 44.85370 22.45340 0.489 10.55991 H ? A ? 115 HA 1
   ATOM 2341 HB2 B CYS A 116 ? 6.57266 45.71268 20.03153 0.489 9.10577 H ? A ? 115 HB2 1
   ATOM 2342 HB3 B CYS A 116 ? 6.06586 44.25375 20.40584 0.489 9.10577 H ? A ? 115 HB3 1
   ATOM 2343 N A LYS A 117 ? 8.22076 46.66352 22.17959 0.511 8.76816 N ? A ? 116 N 1
   ATOM 2344 CA A LYS A 117 ? 9.61822 46.73804 22.56689 0.511 10.75586 C ? A ? 116 CA 1
   ATOM 2345 C A LYS A 117 ? 9.76207 46.82973 24.07238 0.511 10.70231 C ? A ? 116 C 1
   ATOM 2346 O A LYS A 117 ? 10.70843 46.23667 24.65253 0.511 11.80879 O ? A ? 116 O 1
   ATOM 2347 CB A LYS A 117 ? 10.28396 47.93241 21.88180 0.511 11.73737 C ? A ? 116 CB 1
   ATOM 2348 CG A LYS A 117 ? 11.81587 47.92309 22.04066 0.511 17.01126 C ? A ? 116 CG 1
   ATOM 2349 CD A LYS A 117 ? 12.46636 49.01902 21.23092 0.511 15.71014 C ? A ? 116 CD 1
   ATOM 2350 CE A LYS A 117 ? 13.99847 48.95286 21.16893 0.511 21.98224 C ? A ? 116 CE 1
   ATOM 2351 NZ A LYS A 117 ? 14.50602 49.06108 22.56463 0.511 23.02611 N ? A ? 116 NZ 1
   ATOM 2352 H A LYS A 117 ? 7.98026 47.32306 21.68283 0.511 10.52180 H ? A ? 116 H 1
   ATOM 2353 HA A LYS A 117 ? 10.07349 45.93350 22.27305 0.511 12.90703 H ? A ? 116 HA 1
   ATOM 2354 HB2 A LYS A 117 ? 10.07883 47.90878 20.93404 0.511 14.08485 H ? A ? 116 HB2 1
   ATOM 2355 HB3 A LYS A 117 ? 9.94498 48.75215 22.27427 0.511 14.08485 H ? A ? 116 HB3 1
   ATOM 2356 HG2 A LYS A 117 ? 12.04240 48.05905 22.97399 0.511 20.41351 H ? A ? 116 HG2 1
   ATOM 2357 HG3 A LYS A 117 ? 12.16484 47.07112 21.73527 0.511 20.41351 H ? A ? 116 HG3 1
   ATOM 2358 HD2 A LYS A 117 ? 12.13625 48.96702 20.32030 0.511 18.85217 H ? A ? 116 HD2 1
   ATOM 2359 HD3 A LYS A 117 ? 12.22809 49.87418 21.62185 0.511 18.85217 H ? A ? 116 HD3 1
   ATOM 2360 HE2 A LYS A 117 ? 14.28368 48.10798 20.78717 0.511 26.37869 H ? A ? 116 HE2 1
   ATOM 2361 HE3 A LYS A 117 ? 14.34609 49.68925 20.64187 0.511 26.37869 H ? A ? 116 HE3 1
   ATOM 2362 HZ1 A LYS A 117 ? 15.39127 49.15283 22.56035 0.511 27.63134 H ? A ? 116 HZ1 1
   ATOM 2363 HZ2 A LYS A 117 ? 14.14428 49.76822 22.96611 0.511 27.63134 H ? A ? 116 HZ2 1
   ATOM 2364 HZ3 A LYS A 117 ? 14.29378 48.32854 23.02337 0.511 27.63134 H ? A ? 116 HZ3 1
   ATOM 2365 N B LYS A 117 ? 8.17312 46.67529 22.20193 0.489 8.79903 N ? A ? 116 N 1
   ATOM 2366 CA B LYS A 117 ? 9.57717 46.75461 22.56425 0.489 10.71356 C ? A ? 116 CA 1
   ATOM 2367 C B LYS A 117 ? 9.72818 46.80217 24.07299 0.489 10.57053 C ? A ? 116 C 1
   ATOM 2368 O B LYS A 117 ? 10.65604 46.18127 24.64803 0.489 11.97253 O ? A ? 116 O 1
   ATOM 2369 CB B LYS A 117 ? 10.21723 47.98502 21.91009 0.489 11.72394 C ? A ? 116 CB 1
   ATOM 2370 CG B LYS A 117 ? 11.63897 48.24473 22.42631 0.489 12.61069 C ? A ? 116 CG 1
   ATOM 2371 CD B LYS A 117 ? 12.29936 49.42630 21.73526 0.489 14.34399 C ? A ? 116 CD 1
   ATOM 2372 CE B LYS A 117 ? 13.76453 49.49148 21.96889 0.489 20.38428 C ? A ? 116 CE 1
   ATOM 2373 NZ B LYS A 117 ? 14.07030 49.91032 23.30836 0.489 27.81860 N ? A ? 116 NZ 1
   ATOM 2374 H B LYS A 117 ? 7.85691 47.39109 21.84524 0.489 10.55883 H ? A ? 116 H 1
   ATOM 2375 HA B LYS A 117 ? 10.04472 45.97167 22.23364 0.489 12.85627 H ? A ? 116 HA 1
   ATOM 2376 HB2 B LYS A 117 ? 10.26423 47.84649 20.95118 0.489 14.06873 H ? A ? 116 HB2 1
   ATOM 2377 HB3 B LYS A 117 ? 9.67679 48.76624 22.10634 0.489 14.06873 H ? A ? 116 HB3 1
   ATOM 2378 HG2 B LYS A 117 ? 11.60231 48.43403 23.37696 0.489 15.13283 H ? A ? 116 HG2 1
   ATOM 2379 HG3 B LYS A 117 ? 12.18410 47.45872 22.26534 0.489 15.13283 H ? A ? 116 HG3 1
   ATOM 2380 HD2 B LYS A 117 ? 12.15260 49.35482 20.77909 0.489 17.21279 H ? A ? 116 HD2 1
   ATOM 2381 HD3 B LYS A 117 ? 11.90693 50.24752 22.07066 0.489 17.21279 H ? A ? 116 HD3 1
   ATOM 2382 HE2 B LYS A 117 ? 14.15066 48.61267 21.82929 0.489 24.46113 H ? A ? 116 HE2 1
   ATOM 2383 HE3 B LYS A 117 ? 14.15911 50.12883 21.35327 0.489 24.46113 H ? A ? 116 HE3 1
   ATOM 2384 HZ1 B LYS A 117 ? 14.92027 49.72691 23.49810 0.489 33.38231 H ? A ? 116 HZ1 1
   ATOM 2385 HZ2 B LYS A 117 ? 13.93855 50.78665 23.39084 0.489 33.38231 H ? A ? 116 HZ2 1
   ATOM 2386 HZ3 B LYS A 117 ? 13.54647 49.48370 23.88776 0.489 33.38231 H ? A ? 116 HZ3 1
   ATOM 2387 N . ALA A 118 ? 8.85685 47.52622 24.74200 1.000 9.06267 N ? A ? 117 N 1
   ATOM 2388 CA . ALA A 118 ? 8.97702 47.64449 26.19566 1.000 11.17083 C ? A ? 117 CA 1
   ATOM 2389 C . ALA A 118 ? 8.84502 46.28093 26.86236 1.000 8.61654 C ? A ? 117 C 1
   ATOM 2390 O . ALA A 118 ? 9.57985 45.95973 27.83114 1.000 10.92653 O ? A ? 117 O 1
   ATOM 2391 CB . ALA A 118 ? 7.93049 48.61308 26.72673 1.000 10.60889 C ? A ? 117 CB 1
   ATOM 2392 HA . ALA A 118 ? 9.85052 48.00375 26.41664 1.000 13.40500 H ? A ? 117 HA 1
   ATOM 2393 HB1 . ALA A 118 ? 8.05489 48.71940 27.68283 1.000 12.73067 H ? A ? 117 HB1 1
   ATOM 2394 HB2 . ALA A 118 ? 8.03741 49.46852 26.28210 1.000 12.73067 H ? A ? 117 HB2 1
   ATOM 2395 HB3 . ALA A 118 ? 7.04757 48.25438 26.54592 1.000 12.73067 H ? A ? 117 HB3 1
   ATOM 2396 H A ALA A 118 ? 8.18166 47.93003 24.39464 0.511 10.87521 H ? A ? 117 H 1
   ATOM 2397 H B ALA A 118 ? 8.19666 47.95432 24.39490 0.489 10.87521 H ? A ? 117 H 1
   ATOM 2398 N . CYS A 119 ? 7.86001 45.47395 26.41930 1.000 9.04503 N ? A ? 118 N 1
   ATOM 2399 CA . CYS A 119 ? 7.75530 44.08566 26.96200 1.000 8.66694 C ? A ? 118 CA 1
   ATOM 2400 C . CYS A 119 ? 8.92549 43.24223 26.53441 1.000 9.74494 C ? A ? 118 C 1
   ATOM 2401 O . CYS A 119 ? 9.51182 42.54042 27.39961 1.000 10.23894 O ? A ? 118 O 1
   ATOM 2402 CB . CYS A 119 ? 6.38055 43.47760 26.60080 1.000 8.02590 C ? A ? 118 CB 1
   ATOM 2403 SG . CYS A 119 ? 6.21933 41.98410 27.56055 1.000 8.23010 S ? A ? 118 SG 1
   ATOM 2404 H . CYS A 119 ? 7.26581 45.68685 25.83518 1.000 10.85404 H ? A ? 118 H 1
   ATOM 2405 HA . CYS A 119 ? 7.78654 44.10434 27.93132 1.000 10.40033 H ? A ? 118 HA 1
   ATOM 2406 HB2 . CYS A 119 ? 5.66652 44.09235 26.83133 1.000 9.63108 H ? A ? 118 HB2 1
   ATOM 2407 HB3 . CYS A 119 ? 6.34195 43.26379 25.65545 1.000 9.63108 H ? A ? 118 HB3 1
   ATOM 2408 N . HIS A 120 ? 9.32167 43.28285 25.28908 1.000 10.31303 N ? A ? 119 N 1
   ATOM 2409 CA . HIS A 120 ? 10.47230 42.55116 24.79571 1.000 11.91330 C ? A ? 119 CA 1
   ATOM 2410 C . HIS A 120 ? 11.67827 42.77597 25.70115 1.000 12.56576 C ? A ? 119 C 1
   ATOM 2411 O . HIS A 120 ? 12.38351 41.82176 26.14901 1.000 13.57933 O ? A ? 119 O 1
   ATOM 2412 CB . HIS A 120 ? 10.78519 43.06549 23.40474 1.000 13.45172 C ? A ? 119 CB 1
   ATOM 2413 CG . HIS A 120 ? 12.02938 42.52542 22.81503 1.000 12.69926 C ? A ? 119 CG 1
   ATOM 2414 ND1 . HIS A 120 ? 13.26686 43.13105 22.97746 1.000 18.43168 N ? A ? 119 ND1 1
   ATOM 2415 CD2 . HIS A 120 ? 12.21753 41.47689 21.98879 1.000 15.95171 C ? A ? 119 CD2 1
   ATOM 2416 CE1 . HIS A 120 ? 14.16007 42.44692 22.27388 1.000 16.14031 C ? A ? 119 CE1 1
   ATOM 2417 NE2 . HIS A 120 ? 13.55204 41.45592 21.65291 1.000 19.46296 N ? A ? 119 NE2 1
   ATOM 2418 H . HIS A 120 ? 8.93050 43.74365 24.67732 1.000 12.37564 H ? A ? 119 H 1
   ATOM 2419 HA . HIS A 120 ? 10.27913 41.60101 24.76735 1.000 14.29596 H ? A ? 119 HA 1
   ATOM 2420 HB2 . HIS A 120 ? 10.05354 42.82531 22.81491 1.000 16.14206 H ? A ? 119 HB2 1
   ATOM 2421 HB3 . HIS A 120 ? 10.87548 44.03042 23.44541 1.000 16.14206 H ? A ? 119 HB3 1
   ATOM 2422 HD2 . HIS A 120 ? 11.56660 40.87894 21.69958 1.000 19.14205 H ? A ? 119 HD2 1
   ATOM 2423 HE1 . HIS A 120 ? 15.06934 42.63632 22.22650 1.000 19.36837 H ? A ? 119 HE1 1
   ATOM 2424 HE2 . HIS A 120 ? 13.92716 40.88988 21.12518 1.000 23.35555 H ? A ? 119 HE2 1
   ATOM 2425 N . ASP A 121 ? 11.95929 44.02520 26.01708 1.000 13.72526 N ? A ? 120 N 1
   ATOM 2426 CA . ASP A 121 ? 13.18554 44.36307 26.74845 1.000 14.22791 C ? A ? 120 CA 1
   ATOM 2427 C . ASP A 121 ? 13.17865 43.88772 28.16114 1.000 13.32407 C ? A ? 120 C 1
   ATOM 2428 O . ASP A 121 ? 14.27113 43.62781 28.74019 1.000 17.57153 O ? A ? 120 O 1
   ATOM 2429 CB . ASP A 121 ? 13.46278 45.86440 26.60187 1.000 16.61392 C ? A ? 120 CB 1
   ATOM 2430 CG . ASP A 121 ? 13.79457 46.29432 25.17554 1.000 16.59724 C ? A ? 120 CG 1
   ATOM 2431 OD1 . ASP A 121 ? 14.02364 45.51790 24.22853 1.000 17.37636 O ? A ? 120 OD1 1
   ATOM 2432 OD2 . ASP A 121 ? 13.83882 47.56374 25.03612 1.000 20.86666 O ? A ? 120 OD2 1
   ATOM 2433 H . ASP A 121 ? 11.46467 44.70200 25.82500 1.000 16.47031 H ? A ? 120 H 1
   ATOM 2434 HA . ASP A 121 ? 13.93931 43.90017 26.35040 1.000 17.07349 H ? A ? 120 HA 1
   ATOM 2435 HB2 . ASP A 121 ? 12.67509 46.35590 26.88274 1.000 19.93671 H ? A ? 120 HB2 1
   ATOM 2436 HB3 . ASP A 121 ? 14.21783 46.09848 27.16402 1.000 19.93671 H ? A ? 120 HB3 1
   ATOM 2437 N A ALA A 122 ? 12.02099 43.79420 28.78226 0.290 13.13735 N ? A ? 121 N 1
   ATOM 2438 CA A ALA A 122 ? 11.92375 43.40571 30.18330 0.290 13.90907 C ? A ? 121 CA 1
   ATOM 2439 C A ALA A 122 ? 11.65587 41.91619 30.43399 0.290 11.35461 C ? A ? 121 C 1
   ATOM 2440 O A ALA A 122 ? 12.16444 41.36912 31.43009 0.290 8.13127 O ? A ? 121 O 1
   ATOM 2441 CB A ALA A 122 ? 10.76739 44.17445 30.81211 0.290 14.30163 C ? A ? 121 CB 1
   ATOM 2442 H A ALA A 122 ? 11.26096 43.95231 28.41219 0.290 15.76483 H ? A ? 121 H 1
   ATOM 2443 HA A ALA A 122 ? 12.76792 43.61967 30.61051 0.290 16.69088 H ? A ? 121 HA 1
   ATOM 2444 HB1 A ALA A 122 ? 10.67878 43.90792 31.74056 0.290 17.16196 H ? A ? 121 HB1 1
   ATOM 2445 HB2 A ALA A 122 ? 10.95305 45.12493 30.75710 0.290 17.16196 H ? A ? 121 HB2 1
   ATOM 2446 HB3 A ALA A 122 ? 9.95161 43.96830 30.32950 0.290 17.16196 H ? A ? 121 HB3 1
   ATOM 2447 N B ALA A 122 ? 12.03125 43.79680 28.80581 0.386 13.10704 N ? A ? 121 N 1
   ATOM 2448 CA B ALA A 122 ? 11.91770 43.32917 30.19313 0.386 13.98785 C ? A ? 121 CA 1
   ATOM 2449 C B ALA A 122 ? 11.63871 41.81288 30.37903 0.386 11.22898 C ? A ? 121 C 1
   ATOM 2450 O B ALA A 122 ? 11.84123 41.28066 31.52260 0.386 10.05989 O ? A ? 121 O 1
   ATOM 2451 CB B ALA A 122 ? 10.77467 44.11615 30.82763 0.386 14.29234 C ? A ? 121 CB 1
   ATOM 2452 H B ALA A 122 ? 11.27273 44.00490 28.45804 0.386 15.72845 H ? A ? 121 H 1
   ATOM 2453 HA B ALA A 122 ? 12.76076 43.48690 30.64619 0.386 16.78541 H ? A ? 121 HA 1
   ATOM 2454 HB1 B ALA A 122 ? 10.65867 43.82094 31.74430 0.386 17.15080 H ? A ? 121 HB1 1
   ATOM 2455 HB2 B ALA A 122 ? 10.99356 45.06095 30.80957 0.386 17.15080 H ? A ? 121 HB2 1
   ATOM 2456 HB3 B ALA A 122 ? 9.96209 43.95516 30.32294 0.386 17.15080 H ? A ? 121 HB3 1
   ATOM 2457 N D ALA A 122 ? 12.02629 43.83685 28.78055 0.324 13.05279 N ? A ? 121 N 1
   ATOM 2458 CA D ALA A 122 ? 11.94471 43.31601 30.12753 0.324 13.96738 C ? A ? 121 CA 1
   ATOM 2459 C D ALA A 122 ? 11.86637 41.78174 30.17075 0.324 12.17248 C ? A ? 121 C 1
   ATOM 2460 O D ALA A 122 ? 12.64079 41.13633 30.90991 0.324 8.06877 O ? A ? 121 O 1
   ATOM 2461 CB D ALA A 122 ? 10.72247 43.95326 30.80121 0.324 14.10600 C ? A ? 121 CB 1
   ATOM 2462 H D ALA A 122 ? 11.27715 44.09599 28.44701 0.324 15.66335 H ? A ? 121 H 1
   ATOM 2463 HA D ALA A 122 ? 12.74391 43.55385 30.62314 0.324 16.76086 H ? A ? 121 HA 1
   ATOM 2464 HB1 D ALA A 122 ? 10.63928 43.60216 31.70160 0.324 16.92720 H ? A ? 121 HB1 1
   ATOM 2465 HB2 D ALA A 122 ? 10.84408 44.91514 30.83118 0.324 16.92720 H ? A ? 121 HB2 1
   ATOM 2466 HB3 D ALA A 122 ? 9.92928 43.73600 30.28686 0.324 16.92720 H ? A ? 121 HB3 1
   ATOM 2467 N A TYR A 123 ? 10.88622 41.25087 29.53891 0.290 8.76407 N ? A ? 122 N 1
   ATOM 2468 CA A TYR A 123 ? 10.42272 39.90328 29.77412 0.290 10.62479 C ? A ? 122 CA 1
   ATOM 2469 C A TYR A 123 ? 10.81720 38.82410 28.77185 0.290 9.47355 C ? A ? 122 C 1
   ATOM 2470 O A TYR A 123 ? 10.44173 37.67153 28.99064 0.290 8.79965 O ? A ? 122 O 1
   ATOM 2471 CB A TYR A 123 ? 8.90313 39.93949 29.97752 0.290 9.12428 C ? A ? 122 CB 1
   ATOM 2472 CG A TYR A 123 ? 8.47429 40.67671 31.20256 0.290 10.42686 C ? A ? 122 CG 1
   ATOM 2473 CD1 A TYR A 123 ? 8.60556 40.09721 32.45674 0.290 8.46197 C ? A ? 122 CD1 1
   ATOM 2474 CD2 A TYR A 123 ? 7.93327 41.95443 31.12727 0.290 8.44467 C ? A ? 122 CD2 1
   ATOM 2475 CE1 A TYR A 123 ? 8.18458 40.77260 33.60264 0.290 8.34196 C ? A ? 122 CE1 1
   ATOM 2476 CE2 A TYR A 123 ? 7.50509 42.60832 32.24473 0.290 11.80971 C ? A ? 122 CE2 1
   ATOM 2477 CZ A TYR A 123 ? 7.63550 42.02212 33.48274 0.290 9.39740 C ? A ? 122 CZ 1
   ATOM 2478 OH A TYR A 123 ? 7.21825 42.67126 34.62666 0.290 12.32627 O ? A ? 122 OH 1
   ATOM 2479 H A TYR A 123 ? 10.62794 41.57947 28.78730 0.290 10.51689 H ? A ? 122 H 1
   ATOM 2480 HA A TYR A 123 ? 10.85170 39.58941 30.58552 0.290 12.74975 H ? A ? 122 HA 1
   ATOM 2481 HB2 A TYR A 123 ? 8.49699 40.37620 29.21252 0.290 10.94914 H ? A ? 122 HB2 1
   ATOM 2482 HB3 A TYR A 123 ? 8.57717 39.02888 30.05140 0.290 10.94914 H ? A ? 122 HB3 1
   ATOM 2483 HD1 A TYR A 123 ? 8.97849 39.24879 32.53424 0.290 10.15436 H ? A ? 122 HD1 1
   ATOM 2484 HD2 A TYR A 123 ? 7.86185 42.37152 30.29912 0.290 10.13360 H ? A ? 122 HD2 1
   ATOM 2485 HE1 A TYR A 123 ? 8.27582 40.37837 34.43999 0.290 10.01035 H ? A ? 122 HE1 1
   ATOM 2486 HE2 A TYR A 123 ? 7.12371 43.45321 32.16981 0.290 14.17166 H ? A ? 122 HE2 1
   ATOM 2487 HH A TYR A 123 ? 6.96671 43.45050 34.43927 0.290 14.79152 H ? A ? 122 HH 1
   ATOM 2488 N B TYR A 123 ? 11.27276 41.09297 29.25433 0.386 9.90941 N ? A ? 122 N 1
   ATOM 2489 CA B TYR A 123 ? 10.72110 39.74547 29.37394 0.386 10.40030 C ? A ? 122 CA 1
   ATOM 2490 C B TYR A 123 ? 11.07566 38.74231 28.30648 0.386 10.56421 C ? A ? 122 C 1
   ATOM 2491 O B TYR A 123 ? 10.79038 37.56359 28.50109 0.386 11.16699 O ? A ? 122 O 1
   ATOM 2492 CB B TYR A 123 ? 9.20235 39.79368 29.57551 0.386 10.03995 C ? A ? 122 CB 1
   ATOM 2493 CG B TYR A 123 ? 8.86118 40.58474 30.86239 0.386 10.53635 C ? A ? 122 CG 1
   ATOM 2494 CD1 B TYR A 123 ? 9.08541 40.02080 32.12056 0.386 8.94430 C ? A ? 122 CD1 1
   ATOM 2495 CD2 B TYR A 123 ? 8.33728 41.87484 30.81981 0.386 10.43469 C ? A ? 122 CD2 1
   ATOM 2496 CE1 B TYR A 123 ? 8.77648 40.74080 33.28989 0.386 11.64844 C ? A ? 122 CE1 1
   ATOM 2497 CE2 B TYR A 123 ? 8.04116 42.60623 31.96526 0.386 11.44192 C ? A ? 122 CE2 1
   ATOM 2498 CZ B TYR A 123 ? 8.28010 42.05581 33.23854 0.386 12.94861 C ? A ? 122 CZ 1
   ATOM 2499 OH B TYR A 123 ? 7.99625 42.77786 34.39311 0.386 14.55573 O ? A ? 122 OH 1
   ATOM 2500 H B TYR A 123 ? 11.34291 41.37890 28.44629 0.386 11.89129 H ? A ? 122 H 1
   ATOM 2501 HA B TYR A 123 ? 11.11062 39.36776 30.17800 0.386 12.48036 H ? A ? 122 HA 1
   ATOM 2502 HB2 B TYR A 123 ? 8.78703 40.23597 28.81868 0.386 12.04795 H ? A ? 122 HB2 1
   ATOM 2503 HB3 B TYR A 123 ? 8.85647 38.89171 29.66342 0.386 12.04795 H ? A ? 122 HB3 1
   ATOM 2504 HD1 B TYR A 123 ? 9.44113 39.16402 32.18603 0.386 10.73316 H ? A ? 122 HD1 1
   ATOM 2505 HD2 B TYR A 123 ? 8.17874 42.26370 29.99003 0.386 12.52162 H ? A ? 122 HD2 1
   ATOM 2506 HE1 B TYR A 123 ? 8.90384 40.33663 34.11774 0.386 13.97813 H ? A ? 122 HE1 1
   ATOM 2507 HE2 B TYR A 123 ? 7.68416 43.46164 31.88962 0.386 13.73030 H ? A ? 122 HE2 1
   ATOM 2508 HH B TYR A 123 ? 7.42728 43.37311 34.22711 0.386 17.46687 H ? A ? 122 HH 1
   ATOM 2509 N D TYR A 123 ? 10.91808 41.18603 29.43570 0.324 8.77732 N ? A ? 122 N 1
   ATOM 2510 CA D TYR A 123 ? 10.40477 39.84639 29.67903 0.324 10.56388 C ? A ? 122 CA 1
   ATOM 2511 C D TYR A 123 ? 10.78976 38.74784 28.69564 0.324 9.49192 C ? A ? 122 C 1
   ATOM 2512 O D TYR A 123 ? 10.39197 37.59782 28.92441 0.324 9.07855 O ? A ? 122 O 1
   ATOM 2513 CB D TYR A 123 ? 8.87433 39.93195 29.86002 0.324 9.13473 C ? A ? 122 CB 1
   ATOM 2514 CG D TYR A 123 ? 8.51741 40.71023 31.08833 0.324 10.44206 C ? A ? 122 CG 1
   ATOM 2515 CD1 D TYR A 123 ? 9.18586 40.42981 32.26841 0.324 11.81500 C ? A ? 122 CD1 1
   ATOM 2516 CD2 D TYR A 123 ? 7.52934 41.72707 31.10318 0.324 7.93708 C ? A ? 122 CD2 1
   ATOM 2517 CE1 D TYR A 123 ? 8.91557 41.10954 33.38706 0.324 13.90186 C ? A ? 122 CE1 1
   ATOM 2518 CE2 D TYR A 123 ? 7.23351 42.39616 32.26951 0.324 10.49385 C ? A ? 122 CE2 1
   ATOM 2519 CZ D TYR A 123 ? 7.93556 42.09635 33.41775 0.324 10.92925 C ? A ? 122 CZ 1
   ATOM 2520 OH D TYR A 123 ? 7.66165 42.77087 34.58221 0.324 14.04306 O ? A ? 122 OH 1
   ATOM 2521 H D TYR A 123 ? 10.54271 41.56170 28.75926 0.324 10.53278 H ? A ? 122 H 1
   ATOM 2522 HA D TYR A 123 ? 10.80934 39.52972 30.50179 0.324 12.67665 H ? A ? 122 HA 1
   ATOM 2523 HB2 D TYR A 123 ? 8.48372 40.37586 29.09108 0.324 10.96168 H ? A ? 122 HB2 1
   ATOM 2524 HB3 D TYR A 123 ? 8.51010 39.03715 29.94698 0.324 10.96168 H ? A ? 122 HB3 1
   ATOM 2525 HD1 D TYR A 123 ? 9.83096 39.76008 32.28267 0.324 14.17800 H ? A ? 122 HD1 1
   ATOM 2526 HD2 D TYR A 123 ? 7.07788 41.94360 30.31947 0.324 9.52450 H ? A ? 122 HD2 1
   ATOM 2527 HE1 D TYR A 123 ? 9.39315 40.91859 34.16189 0.324 16.68223 H ? A ? 122 HE1 1
   ATOM 2528 HE2 D TYR A 123 ? 6.56653 43.04414 32.28276 0.324 12.59262 H ? A ? 122 HE2 1
   ATOM 2529 HH D TYR A 123 ? 7.01904 43.29878 34.46408 0.324 16.85167 H ? A ? 122 HH 1
   ATOM 2530 N A LYS A 124 ? 11.53960 39.14464 27.70736 0.290 9.67396 N ? A ? 123 N 1
   ATOM 2531 CA A LYS A 124 ? 11.99925 38.17188 26.72695 0.290 10.36607 C ? A ? 123 CA 1
   ATOM 2532 C A LYS A 124 ? 13.48435 37.91313 27.00320 0.290 13.86200 C ? A ? 123 C 1
   ATOM 2533 O A LYS A 124 ? 14.25807 38.85487 27.21416 0.290 12.90444 O ? A ? 123 O 1
   ATOM 2534 CB A LYS A 124 ? 11.82192 38.65042 25.28351 0.290 11.49141 C ? A ? 123 CB 1
   ATOM 2535 CG A LYS A 124 ? 12.05239 37.53504 24.29424 0.290 12.50219 C ? A ? 123 CG 1
   ATOM 2536 CD A LYS A 124 ? 12.09179 38.02681 22.82974 0.290 11.89834 C ? A ? 123 CD 1
   ATOM 2537 CE A LYS A 124 ? 12.19279 36.90498 21.77689 0.290 15.10306 C ? A ? 123 CE 1
   ATOM 2538 NZ A LYS A 124 ? 12.24569 37.41173 20.30809 0.290 11.96579 N ? A ? 123 NZ 1
   ATOM 2539 H A LYS A 124 ? 11.78506 39.94835 27.52462 0.290 11.60875 H ? A ? 123 H 1
   ATOM 2540 HA A LYS A 124 ? 11.48076 37.35597 26.80672 0.290 12.43929 H ? A ? 123 HA 1
   ATOM 2541 HB2 A LYS A 124 ? 10.91776 38.98111 25.16503 0.290 13.78969 H ? A ? 123 HB2 1
   ATOM 2542 HB3 A LYS A 124 ? 12.46038 39.35731 25.10024 0.290 13.78969 H ? A ? 123 HB3 1
   ATOM 2543 HG2 A LYS A 124 ? 12.90228 37.11031 24.48965 0.290 15.00263 H ? A ? 123 HG2 1
   ATOM 2544 HG3 A LYS A 124 ? 11.33288 36.88930 24.37321 0.290 15.00263 H ? A ? 123 HG3 1
   ATOM 2545 HD2 A LYS A 124 ? 11.27887 38.52406 22.64861 0.290 14.27800 H ? A ? 123 HD2 1
   ATOM 2546 HD3 A LYS A 124 ? 12.86461 38.60217 22.71750 0.290 14.27800 H ? A ? 123 HD3 1
   ATOM 2547 HE2 A LYS A 124 ? 13.00236 36.39658 21.94128 0.290 18.12367 H ? A ? 123 HE2 1
   ATOM 2548 HE3 A LYS A 124 ? 11.41667 36.32924 21.86093 0.290 18.12367 H ? A ? 123 HE3 1
   ATOM 2549 HZ1 A LYS A 124 ? 11.47118 37.24781 19.90145 0.290 14.35895 H ? A ? 123 HZ1 1
   ATOM 2550 HZ2 A LYS A 124 ? 12.39958 38.28821 20.29384 0.290 14.35895 H ? A ? 123 HZ2 1
   ATOM 2551 HZ3 A LYS A 124 ? 12.89740 36.99683 19.86623 0.290 14.35895 H ? A ? 123 HZ3 1
   ATOM 2552 N B LYS A 124 ? 11.78321 39.10187 27.27087 0.386 12.30597 N ? A ? 123 N 1
   ATOM 2553 CA B LYS A 124 ? 12.14987 38.13225 26.26633 0.386 11.63891 C ? A ? 123 CA 1
   ATOM 2554 C B LYS A 124 ? 13.63440 37.88364 26.44738 0.386 17.23672 C ? A ? 123 C 1
   ATOM 2555 O B LYS A 124 ? 14.45205 38.82803 26.36557 0.386 14.68436 O ? A ? 123 O 1
   ATOM 2556 CB B LYS A 124 ? 11.88934 38.60509 24.84608 0.386 12.18115 C ? A ? 123 CB 1
   ATOM 2557 CG B LYS A 124 ? 11.96713 37.46080 23.91156 0.386 14.99663 C ? A ? 123 CG 1
   ATOM 2558 CD B LYS A 124 ? 11.55921 37.95969 22.51322 0.386 14.79708 C ? A ? 123 CD 1
   ATOM 2559 CE B LYS A 124 ? 11.82527 36.93308 21.42900 0.386 17.51440 C ? A ? 123 CE 1
   ATOM 2560 NZ B LYS A 124 ? 13.27936 36.83152 21.07608 0.386 21.21414 N ? A ? 123 NZ 1
   ATOM 2561 H B LYS A 124 ? 12.06518 39.90087 27.12356 0.386 14.76716 H ? A ? 123 H 1
   ATOM 2562 HA B LYS A 124 ? 11.62346 37.32697 26.39011 0.386 13.96670 H ? A ? 123 HA 1
   ATOM 2563 HB2 B LYS A 124 ? 11.00300 38.99505 24.78919 0.386 14.61738 H ? A ? 123 HB2 1
   ATOM 2564 HB3 B LYS A 124 ? 12.55733 39.26120 24.59268 0.386 14.61738 H ? A ? 123 HB3 1
   ATOM 2565 HG2 B LYS A 124 ? 12.87407 37.11855 23.87658 0.386 17.99595 H ? A ? 123 HG2 1
   ATOM 2566 HG3 B LYS A 124 ? 11.35826 36.75912 24.19052 0.386 17.99595 H ? A ? 123 HG3 1
   ATOM 2567 HD2 B LYS A 124 ? 10.60989 38.15892 22.51185 0.386 17.75649 H ? A ? 123 HD2 1
   ATOM 2568 HD3 B LYS A 124 ? 12.06624 38.75895 22.30109 0.386 17.75649 H ? A ? 123 HD3 1
   ATOM 2569 HE2 B LYS A 124 ? 11.52948 36.06233 21.73754 0.386 21.01728 H ? A ? 123 HE2 1
   ATOM 2570 HE3 B LYS A 124 ? 11.33864 37.18427 20.62838 0.386 21.01728 H ? A ? 123 HE3 1
   ATOM 2571 HZ1 B LYS A 124 ? 13.37469 36.41578 20.29495 0.386 25.45697 H ? A ? 123 HZ1 1
   ATOM 2572 HZ2 B LYS A 124 ? 13.63548 37.64493 21.01572 0.386 25.45697 H ? A ? 123 HZ2 1
   ATOM 2573 HZ3 B LYS A 124 ? 13.71331 36.37201 21.70269 0.386 25.45697 H ? A ? 123 HZ3 1
   ATOM 2574 N D LYS A 124 ? 11.51970 39.05234 27.62545 0.324 9.78983 N ? A ? 123 N 1
   ATOM 2575 CA D LYS A 124 ? 11.98271 38.07837 26.64478 0.324 10.02354 C ? A ? 123 CA 1
   ATOM 2576 C D LYS A 124 ? 13.47965 37.84971 26.88791 0.324 14.28761 C ? A ? 123 C 1
   ATOM 2577 O D LYS A 124 ? 14.25743 38.80680 27.02657 0.324 12.64635 O ? A ? 123 O 1
   ATOM 2578 CB D LYS A 124 ? 11.78196 38.54026 25.19233 0.324 11.88387 C ? A ? 123 CB 1
   ATOM 2579 CG D LYS A 124 ? 11.97458 37.38267 24.20531 0.324 12.74292 C ? A ? 123 CG 1
   ATOM 2580 CD D LYS A 124 ? 11.71295 37.76316 22.73202 0.324 12.91157 C ? A ? 123 CD 1
   ATOM 2581 CE D LYS A 124 ? 11.86072 36.56953 21.77048 0.324 13.73137 C ? A ? 123 CE 1
   ATOM 2582 NZ D LYS A 124 ? 13.30588 36.22193 21.50100 0.324 18.39489 N ? A ? 123 NZ 1
   ATOM 2583 H D LYS A 124 ? 11.76989 39.85371 27.43888 0.324 11.74780 H ? A ? 123 H 1
   ATOM 2584 HA D LYS A 124 ? 11.47846 37.25641 26.74971 0.324 12.02824 H ? A ? 123 HA 1
   ATOM 2585 HB2 D LYS A 124 ? 10.88171 38.88573 25.08702 0.324 14.26064 H ? A ? 123 HB2 1
   ATOM 2586 HB3 D LYS A 124 ? 12.42925 39.23177 24.98317 0.324 14.26064 H ? A ? 123 HB3 1
   ATOM 2587 HG2 D LYS A 124 ? 12.88959 37.06720 24.26964 0.324 15.29151 H ? A ? 123 HG2 1
   ATOM 2588 HG3 D LYS A 124 ? 11.36042 36.66893 24.43832 0.324 15.29151 H ? A ? 123 HG3 1
   ATOM 2589 HD2 D LYS A 124 ? 10.80843 38.10362 22.64932 0.324 15.49388 H ? A ? 123 HD2 1
   ATOM 2590 HD3 D LYS A 124 ? 12.34955 38.44404 22.46357 0.324 15.49388 H ? A ? 123 HD3 1
   ATOM 2591 HE2 D LYS A 124 ? 11.43183 35.79211 22.16108 0.324 16.47764 H ? A ? 123 HE2 1
   ATOM 2592 HE3 D LYS A 124 ? 11.44112 36.78971 20.92410 0.324 16.47764 H ? A ? 123 HE3 1
   ATOM 2593 HZ1 D LYS A 124 ? 13.35525 35.58365 20.88273 0.324 22.07386 H ? A ? 123 HZ1 1
   ATOM 2594 HZ2 D LYS A 124 ? 13.74260 36.94062 21.20971 0.324 22.07386 H ? A ? 123 HZ2 1
   ATOM 2595 HZ3 D LYS A 124 ? 13.69341 35.93139 22.24766 0.324 22.07386 H ? A ? 123 HZ3 1
   ATOM 2596 N A LYS A 125 ? 13.91130 36.64665 26.89779 0.290 17.31312 N ? A ? 124 N 1
   ATOM 2597 CA A LYS A 125 ? 15.31398 36.30708 27.15773 0.290 20.47129 C ? A ? 124 CA 1
   ATOM 2598 C A LYS A 125 ? 16.20689 36.81075 26.02274 0.290 21.47123 C ? A ? 124 C 1
   ATOM 2599 O A LYS A 125 ? 15.82265 36.80438 24.84907 0.290 23.20525 O ? A ? 124 O 1
   ATOM 2600 CB A LYS A 125 ? 15.48657 34.78769 27.23955 0.290 19.04746 C ? A ? 124 CB 1
   ATOM 2601 CG A LYS A 125 ? 14.78088 34.12241 28.39873 0.290 16.99411 C ? A ? 124 CG 1
   ATOM 2602 CD A LYS A 125 ? 15.22132 32.66337 28.51389 0.290 18.62470 C ? A ? 124 CD 1
   ATOM 2603 CE A LYS A 125 ? 14.46426 31.96922 29.66189 0.290 18.21013 C ? A ? 124 CE 1
   ATOM 2604 NZ A LYS A 125 ? 13.45538 30.92932 29.19118 0.290 18.26028 N ? A ? 124 NZ 1
   ATOM 2605 H A LYS A 125 ? 13.41581 35.97805 26.68087 0.290 20.77575 H ? A ? 124 H 1
   ATOM 2606 HA A LYS A 125 ? 15.58279 36.71461 27.99592 0.290 24.56555 H ? A ? 124 HA 1
   ATOM 2607 HB2 A LYS A 125 ? 15.13789 34.39539 26.42381 0.290 22.85696 H ? A ? 124 HB2 1
   ATOM 2608 HB3 A LYS A 125 ? 16.43263 34.59095 27.32427 0.290 22.85696 H ? A ? 124 HB3 1
   ATOM 2609 HG2 A LYS A 125 ? 15.00463 34.58064 29.22387 0.290 20.39293 H ? A ? 124 HG2 1
   ATOM 2610 HG3 A LYS A 125 ? 13.82190 34.14714 28.25504 0.290 20.39293 H ? A ? 124 HG3 1
   ATOM 2611 HD2 A LYS A 125 ? 15.02550 32.19703 27.68620 0.290 22.34964 H ? A ? 124 HD2 1
   ATOM 2612 HD3 A LYS A 125 ? 16.17240 32.62328 28.70027 0.290 22.34964 H ? A ? 124 HD3 1
   ATOM 2613 HE2 A LYS A 125 ? 15.10670 31.52015 30.23331 0.290 21.85216 H ? A ? 124 HE2 1
   ATOM 2614 HE3 A LYS A 125 ? 13.98170 32.64071 30.16898 0.290 21.85216 H ? A ? 124 HE3 1
   ATOM 2615 HZ1 A LYS A 125 ? 13.03185 30.57772 29.89053 0.290 21.91234 H ? A ? 124 HZ1 1
   ATOM 2616 HZ2 A LYS A 125 ? 12.85726 31.30787 28.65170 0.290 21.91234 H ? A ? 124 HZ2 1
   ATOM 2617 HZ3 A LYS A 125 ? 13.87228 30.27901 28.74914 0.290 21.91234 H ? A ? 124 HZ3 1
   ATOM 2618 N B LYS A 125 ? 13.96117 36.64151 26.79492 0.386 17.46351 N ? A ? 124 N 1
   ATOM 2619 CA B LYS A 125 ? 15.33320 36.29873 27.13468 0.386 20.53935 C ? A ? 124 CA 1
   ATOM 2620 C B LYS A 125 ? 16.23024 36.77692 26.00899 0.386 21.47638 C ? A ? 124 C 1
   ATOM 2621 O B LYS A 125 ? 15.85662 36.73372 24.83020 0.386 23.35121 O ? A ? 124 O 1
   ATOM 2622 CB B LYS A 125 ? 15.47100 34.78217 27.23947 0.386 19.04265 C ? A ? 124 CB 1
   ATOM 2623 CG B LYS A 125 ? 14.94883 34.21272 28.50608 0.386 17.14758 C ? A ? 124 CG 1
   ATOM 2624 CD B LYS A 125 ? 15.47049 32.78409 28.65823 0.386 18.79189 C ? A ? 124 CD 1
   ATOM 2625 CE B LYS A 125 ? 15.16801 32.30806 30.03757 0.386 19.60639 C ? A ? 124 CE 1
   ATOM 2626 NZ B LYS A 125 ? 15.79895 31.02593 30.30770 0.386 9.13446 N ? A ? 124 NZ 1
   ATOM 2627 H B LYS A 125 ? 13.40849 35.98422 26.84080 0.386 20.95621 H ? A ? 124 H 1
   ATOM 2628 HA B LYS A 125 ? 15.58701 36.70091 27.98010 0.386 24.64722 H ? A ? 124 HA 1
   ATOM 2629 HB2 B LYS A 125 ? 14.98032 34.37458 26.50871 0.386 22.85118 H ? A ? 124 HB2 1
   ATOM 2630 HB3 B LYS A 125 ? 16.41098 34.55080 27.17773 0.386 22.85118 H ? A ? 124 HB3 1
   ATOM 2631 HG2 B LYS A 125 ? 15.25520 34.74260 29.25858 0.386 20.57710 H ? A ? 124 HG2 1
   ATOM 2632 HG3 B LYS A 125 ? 13.97921 34.19440 28.48609 0.386 20.57710 H ? A ? 124 HG3 1
   ATOM 2633 HD2 B LYS A 125 ? 15.03192 32.20098 28.01905 0.386 22.55027 H ? A ? 124 HD2 1
   ATOM 2634 HD3 B LYS A 125 ? 16.43046 32.76504 28.52040 0.386 22.55027 H ? A ? 124 HD3 1
   ATOM 2635 HE2 B LYS A 125 ? 15.50085 32.95360 30.68053 0.386 23.52767 H ? A ? 124 HE2 1
   ATOM 2636 HE3 B LYS A 125 ? 14.20893 32.20363 30.13840 0.386 23.52767 H ? A ? 124 HE3 1
   ATOM 2637 HZ1 B LYS A 125 ? 15.92514 30.92721 31.18316 0.386 10.96135 H ? A ? 124 HZ1 1
   ATOM 2638 HZ2 B LYS A 125 ? 15.28140 30.36411 30.01404 0.386 10.96135 H ? A ? 124 HZ2 1
   ATOM 2639 HZ3 B LYS A 125 ? 16.58649 30.98138 29.89552 0.386 10.96135 H ? A ? 124 HZ3 1
   ATOM 2640 N D LYS A 125 ? 13.90911 36.58225 26.87437 0.324 17.31054 N ? A ? 124 N 1
   ATOM 2641 CA D LYS A 125 ? 15.31698 36.28115 27.15211 0.324 20.47725 C ? A ? 124 CA 1
   ATOM 2642 C D LYS A 125 ? 16.21080 36.79267 26.01963 0.324 21.47385 C ? A ? 124 C 1
   ATOM 2643 O D LYS A 125 ? 15.83429 36.77291 24.84357 0.324 23.24863 O ? A ? 124 O 1
   ATOM 2644 CB D LYS A 125 ? 15.52368 34.77062 27.24767 0.324 19.05882 C ? A ? 124 CB 1
   ATOM 2645 CG D LYS A 125 ? 14.81634 34.10523 28.39530 0.324 16.98866 C ? A ? 124 CG 1
   ATOM 2646 CD D LYS A 125 ? 15.05477 32.60180 28.36516 0.324 18.05972 C ? A ? 124 CD 1
   ATOM 2647 CE D LYS A 125 ? 14.40770 31.92379 29.58154 0.324 18.21580 C ? A ? 124 CE 1
   ATOM 2648 NZ D LYS A 125 ? 14.64398 30.44874 29.49346 0.324 20.42849 N ? A ? 124 NZ 1
   ATOM 2649 H D LYS A 125 ? 13.41715 35.89599 26.71116 0.324 20.77265 H ? A ? 124 H 1
   ATOM 2650 HA D LYS A 125 ? 15.56663 36.70492 27.98816 0.324 24.57270 H ? A ? 124 HA 1
   ATOM 2651 HB2 D LYS A 125 ? 15.19793 34.36364 26.42965 0.324 22.87059 H ? A ? 124 HB2 1
   ATOM 2652 HB3 D LYS A 125 ? 16.47238 34.59626 27.35002 0.324 22.87059 H ? A ? 124 HB3 1
   ATOM 2653 HG2 D LYS A 125 ? 15.15531 34.45566 29.23387 0.324 20.38639 H ? A ? 124 HG2 1
   ATOM 2654 HG3 D LYS A 125 ? 13.86255 34.26879 28.32873 0.324 20.38639 H ? A ? 124 HG3 1
   ATOM 2655 HD2 D LYS A 125 ? 14.66405 32.22771 27.55999 0.324 21.67167 H ? A ? 124 HD2 1
   ATOM 2656 HD3 D LYS A 125 ? 16.00820 32.42434 28.38462 0.324 21.67167 H ? A ? 124 HD3 1
   ATOM 2657 HE2 D LYS A 125 ? 14.80660 32.25980 30.39939 0.324 21.85896 H ? A ? 124 HE2 1
   ATOM 2658 HE3 D LYS A 125 ? 13.45231 32.09148 29.58515 0.324 21.85896 H ? A ? 124 HE3 1
   ATOM 2659 HZ1 D LYS A 125 ? 14.23821 30.03461 30.16869 0.324 24.51419 H ? A ? 124 HZ1 1
   ATOM 2660 HZ2 D LYS A 125 ? 14.32144 30.13410 28.72595 0.324 24.51419 H ? A ? 124 HZ2 1
   ATOM 2661 HZ3 D LYS A 125 ? 15.51648 30.27739 29.53198 0.324 24.51419 H ? A ? 124 HZ3 1
   ATOM 2662 N . LYS A 126 ? 17.42713 37.21511 26.38412 1.000 32.30463 N ? A ? 125 N 1
   ATOM 2663 CA . LYS A 126 ? 18.40424 37.65324 25.39427 1.000 34.28041 C ? A ? 125 CA 1
   ATOM 2664 C . LYS A 126 ? 18.84163 36.48577 24.50302 1.000 44.40977 C ? A ? 125 C 1
   ATOM 2665 O . LYS A 126 ? 19.05019 35.36588 24.98333 1.000 47.16439 O ? A ? 125 O 1
   ATOM 2666 HA . LYS A 126 ? 18.00640 38.33077 24.82542 1.000 41.13649 H ? A ? 125 HA 1
   ATOM 2667 CB A LYS A 126 ? 19.61885 38.25382 26.10128 0.324 33.73925 C ? A ? 125 CB 1
   ATOM 2668 CG A LYS A 126 ? 20.28763 37.33136 27.11909 0.324 33.93006 C ? A ? 125 CG 1
   ATOM 2669 CD A LYS A 126 ? 21.53037 37.98774 27.72825 0.324 36.84437 C ? A ? 125 CD 1
   ATOM 2670 CE A LYS A 126 ? 22.22413 37.07167 28.72808 0.324 34.26675 C ? A ? 125 CE 1
   ATOM 2671 NZ A LYS A 126 ? 23.44766 37.70921 29.30214 0.324 36.42041 N ? A ? 125 NZ 1
   ATOM 2672 H A LYS A 126 ? 17.71088 37.24412 27.19544 0.290 38.76556 H ? A ? 125 H 1
   ATOM 2673 HB2 A LYS A 126 ? 20.28348 38.48083 25.43222 0.324 40.48710 H ? A ? 125 HB2 1
   ATOM 2674 HB3 A LYS A 126 ? 19.33655 39.05300 26.57299 0.324 40.48710 H ? A ? 125 HB3 1
   ATOM 2675 HG2 A LYS A 126 ? 19.66335 37.13445 27.83492 0.324 40.71607 H ? A ? 125 HG2 1
   ATOM 2676 HG3 A LYS A 126 ? 20.55912 36.50996 26.68035 0.324 40.71607 H ? A ? 125 HG3 1
   ATOM 2677 HD2 A LYS A 126 ? 22.16046 38.19732 27.02116 0.324 44.21324 H ? A ? 125 HD2 1
   ATOM 2678 HD3 A LYS A 126 ? 21.26912 38.79918 28.19108 0.324 44.21324 H ? A ? 125 HD3 1
   ATOM 2679 HE2 A LYS A 126 ? 21.61496 36.87158 29.45594 0.324 41.12011 H ? A ? 125 HE2 1
   ATOM 2680 HE3 A LYS A 126 ? 22.48864 36.25195 28.28199 0.324 41.12011 H ? A ? 125 HE3 1
   ATOM 2681 HZ1 A LYS A 126 ? 23.83582 37.15615 29.88142 0.324 43.70449 H ? A ? 125 HZ1 1
   ATOM 2682 HZ2 A LYS A 126 ? 24.02546 37.89893 28.65233 0.324 43.70449 H ? A ? 125 HZ2 1
   ATOM 2683 HZ3 A LYS A 126 ? 23.22940 38.46215 29.72350 0.324 43.70449 H ? A ? 125 HZ3 1
   ATOM 2684 CB B LYS A 126 ? 19.61835 38.25087 26.09958 0.403 33.77845 C ? A ? 125 CB 1
   ATOM 2685 CG B LYS A 126 ? 19.33803 39.53211 26.87027 0.403 34.21074 C ? A ? 125 CG 1
   ATOM 2686 CD B LYS A 126 ? 18.80238 40.62206 25.96498 0.403 30.22124 C ? A ? 125 CD 1
   ATOM 2687 CE B LYS A 126 ? 19.00866 41.99750 26.56426 0.403 32.34473 C ? A ? 125 CE 1
   ATOM 2688 NZ B LYS A 126 ? 18.40725 42.11950 27.90641 0.403 32.23249 N ? A ? 125 NZ 1
   ATOM 2689 H B LYS A 126 ? 17.69660 37.26843 27.19907 0.386 38.76556 H ? A ? 125 H 1
   ATOM 2690 HB2 B LYS A 126 ? 19.95988 37.59870 26.73119 0.403 40.53414 H ? A ? 125 HB2 1
   ATOM 2691 HB3 B LYS A 126 ? 20.29368 38.45254 25.43313 0.403 40.53414 H ? A ? 125 HB3 1
   ATOM 2692 HG2 B LYS A 126 ? 18.67681 39.35500 27.55752 0.403 41.05289 H ? A ? 125 HG2 1
   ATOM 2693 HG3 B LYS A 126 ? 20.16041 39.84950 27.27505 0.403 41.05289 H ? A ? 125 HG3 1
   ATOM 2694 HD2 B LYS A 126 ? 19.26596 40.58851 25.11359 0.403 36.26549 H ? A ? 125 HD2 1
   ATOM 2695 HD3 B LYS A 126 ? 17.85112 40.48844 25.83026 0.403 36.26549 H ? A ? 125 HD3 1
   ATOM 2696 HE2 B LYS A 126 ? 19.95981 42.17074 26.64303 0.403 38.81367 H ? A ? 125 HE2 1
   ATOM 2697 HE3 B LYS A 126 ? 18.59729 42.66050 25.98797 0.403 38.81367 H ? A ? 125 HE3 1
   ATOM 2698 HZ1 B LYS A 126 ? 18.73480 42.83459 28.32289 0.403 38.67899 H ? A ? 125 HZ1 1
   ATOM 2699 HZ2 B LYS A 126 ? 17.52401 42.20467 27.83760 0.403 38.67899 H ? A ? 125 HZ2 1
   ATOM 2700 HZ3 B LYS A 126 ? 18.59079 41.39474 28.38924 0.403 38.67899 H ? A ? 125 HZ3 1
   ATOM 2701 CB C LYS A 126 ? 19.62469 38.27545 26.07272 0.273 33.70334 C ? A ? 125 CB 1
   ATOM 2702 CG C LYS A 126 ? 20.63133 38.90076 25.10527 0.273 34.19413 C ? A ? 125 CG 1
   ATOM 2703 CD C LYS A 126 ? 21.74418 39.62689 25.85973 0.273 32.03166 C ? A ? 125 CD 1
   ATOM 2704 CE C LYS A 126 ? 22.70410 40.32261 24.90090 0.273 31.22216 C ? A ? 125 CE 1
   ATOM 2705 NZ C LYS A 126 ? 23.75196 41.07782 25.63656 0.273 34.00837 N ? A ? 125 NZ 1
   ATOM 2706 HB2 C LYS A 126 ? 19.32233 38.97374 26.67427 0.273 40.44401 H ? A ? 125 HB2 1
   ATOM 2707 HB3 C LYS A 126 ? 20.08727 37.58454 26.57228 0.273 40.44401 H ? A ? 125 HB3 1
   ATOM 2708 HG2 C LYS A 126 ? 21.03311 38.20406 24.56298 0.273 41.03296 H ? A ? 125 HG2 1
   ATOM 2709 HG3 C LYS A 126 ? 20.17701 39.54266 24.53742 0.273 41.03296 H ? A ? 125 HG3 1
   ATOM 2710 HD2 C LYS A 126 ? 21.35379 40.29794 26.44127 0.273 38.43800 H ? A ? 125 HD2 1
   ATOM 2711 HD3 C LYS A 126 ? 22.24836 38.98570 26.38470 0.273 38.43800 H ? A ? 125 HD3 1
   ATOM 2712 HE2 C LYS A 126 ? 23.14004 39.65864 24.34412 0.273 37.46659 H ? A ? 125 HE2 1
   ATOM 2713 HE3 C LYS A 126 ? 22.20947 40.94683 24.34720 0.273 37.46659 H ? A ? 125 HE3 1
   ATOM 2714 HZ1 C LYS A 126 ? 24.30264 41.47404 25.06049 0.273 40.81005 H ? A ? 125 HZ1 1
   ATOM 2715 HZ2 C LYS A 126 ? 23.37521 41.69940 26.15017 0.273 40.81005 H ? A ? 125 HZ2 1
   ATOM 2716 HZ3 C LYS A 126 ? 24.22179 40.52398 26.15097 0.273 40.81005 H ? A ? 125 HZ3 1
   ATOM 2717 H D LYS A 126 ? 17.70623 37.25590 27.19655 0.324 38.76556 H ? A ? 125 H 1
   ATOM 2718 N . LYS A 127 ? 18.96296 36.74725 23.19505 1.000 39.21935 N ? A ? 126 N 1
   ATOM 2719 CA . LYS A 127 ? 19.34633 35.71018 22.23707 1.000 47.28611 C ? A ? 126 CA 1
   ATOM 2720 C . LYS A 127 ? 20.83426 35.45242 22.17322 1.000 51.50277 C ? A ? 126 C 1
   ATOM 2721 O . LYS A 127 ? 21.43526 34.87062 23.07580 1.000 59.09310 O ? A ? 126 O 1
   ATOM 2722 H . LYS A 127 ? 18.82787 37.51895 22.84031 1.000 47.06321 H ? A ? 126 H 1
   ATOM 2723 HA . LYS A 127 ? 18.91592 34.89642 22.54274 1.000 56.74333 H ? A ? 126 HA 1
   ATOM 2724 CB A LYS A 127 ? 18.87777 36.06939 20.82496 0.505 46.15639 C ? A ? 126 CB 1
   ATOM 2725 CG A LYS A 127 ? 19.44246 37.23868 20.18091 0.505 42.74919 C ? A ? 126 CG 1
   ATOM 2726 CD A LYS A 127 ? 18.90141 37.41182 18.76701 0.505 41.97825 C ? A ? 126 CD 1
   ATOM 2727 CE A LYS A 127 ? 19.46694 38.68963 18.15109 0.505 44.37557 C ? A ? 126 CE 1
   ATOM 2728 NZ A LYS A 127 ? 18.99212 38.86649 16.75374 0.505 47.22326 N ? A ? 126 NZ 1
   ATOM 2729 HB2 A LYS A 127 ? 19.07843 35.31482 20.24941 0.505 55.38767 H ? A ? 126 HB2 1
   ATOM 2730 HB3 A LYS A 127 ? 17.91909 36.21236 20.86241 0.505 55.38767 H ? A ? 126 HB3 1
   ATOM 2731 HG2 A LYS A 127 ? 19.21451 38.02981 20.69380 0.505 51.29903 H ? A ? 126 HG2 1
   ATOM 2732 HG3 A LYS A 127 ? 20.40636 37.14320 20.12914 0.505 51.29903 H ? A ? 126 HG3 1
   ATOM 2733 HD2 A LYS A 127 ? 19.16762 36.65686 18.21924 0.505 50.37389 H ? A ? 126 HD2 1
   ATOM 2734 HD3 A LYS A 127 ? 17.93405 37.47887 18.79195 0.505 50.37389 H ? A ? 126 HD3 1
   ATOM 2735 HE2 A LYS A 127 ? 19.17731 39.45459 18.67247 0.505 53.25069 H ? A ? 126 HE2 1
   ATOM 2736 HE3 A LYS A 127 ? 20.43572 38.64194 18.14200 0.505 53.25069 H ? A ? 126 HE3 1
   ATOM 2737 HZ1 A LYS A 127 ? 19.35524 39.59756 16.39909 0.505 56.66791 H ? A ? 126 HZ1 1
   ATOM 2738 HZ2 A LYS A 127 ? 19.22335 38.16153 16.26215 0.505 56.66791 H ? A ? 126 HZ2 1
   ATOM 2739 HZ3 A LYS A 127 ? 18.10604 38.94904 16.74149 0.505 56.66791 H ? A ? 126 HZ3 1
   ATOM 2740 CB B LYS A 127 ? 18.89430 36.07451 20.82155 0.495 46.13706 C ? A ? 126 CB 1
   ATOM 2741 CG B LYS A 127 ? 18.87264 34.85162 19.82918 0.495 47.61952 C ? A ? 126 CG 1
   ATOM 2742 CD B LYS A 127 ? 17.92891 35.11224 18.65081 0.495 43.45155 C ? A ? 126 CD 1
   ATOM 2743 CE B LYS A 127 ? 17.73891 33.84262 17.83511 0.495 44.53487 C ? A ? 126 CE 1
   ATOM 2744 NZ B LYS A 127 ? 16.76060 34.03233 16.73829 0.495 43.46312 N ? A ? 126 NZ 1
   ATOM 2745 HB2 B LYS A 127 ? 17.99566 36.43712 20.86466 0.495 55.36447 H ? A ? 126 HB2 1
   ATOM 2746 HB3 B LYS A 127 ? 19.50288 36.73814 20.46082 0.495 55.36447 H ? A ? 126 HB3 1
   ATOM 2747 HG2 B LYS A 127 ? 19.76537 34.70390 19.47974 0.495 57.14342 H ? A ? 126 HG2 1
   ATOM 2748 HG3 B LYS A 127 ? 18.56505 34.06054 20.29874 0.495 57.14342 H ? A ? 126 HG3 1
   ATOM 2749 HD2 B LYS A 127 ? 17.06404 35.39908 18.98339 0.495 52.14186 H ? A ? 126 HD2 1
   ATOM 2750 HD3 B LYS A 127 ? 18.30675 35.79612 18.07595 0.495 52.14186 H ? A ? 126 HD3 1
   ATOM 2751 HE2 B LYS A 127 ? 18.58782 33.58433 17.44326 0.495 53.44184 H ? A ? 126 HE2 1
   ATOM 2752 HE3 B LYS A 127 ? 17.41230 33.13638 18.41429 0.495 53.44184 H ? A ? 126 HE3 1
   ATOM 2753 HZ1 B LYS A 127 ? 16.66998 33.27655 16.27711 0.495 52.15575 H ? A ? 126 HZ1 1
   ATOM 2754 HZ2 B LYS A 127 ? 15.96891 34.26309 17.07308 0.495 52.15575 H ? A ? 126 HZ2 1
   ATOM 2755 HZ3 B LYS A 127 ? 17.04004 34.67426 16.18880 0.495 52.15575 H ? A ? 126 HZ3 1
   HETATM 2756 N . PCA A 1 ? -5.65953 24.46239 28.12443 1.000 9.29657 N ? A ? 127 N 1
   HETATM 2757 CA . PCA A 1 ? -5.83645 23.68976 26.92970 1.000 9.09688 C ? A ? 127 CA 1
   HETATM 2758 C . PCA A 1 ? -4.58118 22.99444 26.57432 1.000 8.84002 C ? A ? 127 C 1
   HETATM 2759 O . PCA A 1 ? -4.44875 22.45043 25.43216 1.000 11.60092 O ? A ? 127 O 1
   HETATM 2760 CB . PCA A 1 ? -6.21807 24.75390 25.88431 1.000 9.76351 C ? A ? 127 CB 1
   HETATM 2761 CG . PCA A 1 ? -5.59915 26.03111 26.33877 1.000 9.25254 C ? A ? 127 CG 1
   HETATM 2762 CD . PCA A 1 ? -5.47597 25.80500 27.84485 1.000 8.41647 C ? A ? 127 CD 1
   HETATM 2763 OE . PCA A 1 ? -5.23795 26.66778 28.61624 1.000 9.44791 O ? A ? 127 OE 1
   HETATM 2764 H2 . PCA A 1 ? -6.35454 25.00223 28.19645 1.000 11.15589 H ? A ? 127 H2 1
   HETATM 2765 HA . PCA A 1 ? -6.50431 22.98912 26.99273 1.000 10.91626 H ? A ? 127 HA 1
   HETATM 2766 HB2 . PCA A 1 ? -5.88963 24.49208 25.00997 1.000 11.71621 H ? A ? 127 HB2 1
   HETATM 2767 HB3 . PCA A 1 ? -7.18336 24.82894 25.82516 1.000 11.71621 H ? A ? 127 HB3 1
   HETATM 2768 HG2 . PCA A 1 ? -4.72354 26.20114 25.95758 1.000 11.10305 H ? A ? 127 HG2 1
   HETATM 2769 HG3 . PCA A 1 ? -6.14352 26.81512 26.16589 1.000 11.10305 H ? A ? 127 HG3 1
   HETATM 2770 NB . HEC A 1128 ? 5.91433 40.75532 20.44336 1.000 7.93065 N ? B ? . NB 1
   HETATM 2771 ND . HEC A 1128 ? 7.21144 38.24763 23.10261 1.000 8.72858 N ? B ? . ND 1
   HETATM 2772 C1A . HEC A 1128 ? 8.03630 37.17103 20.41531 1.000 8.47546 C ? B ? . C1A 1
   HETATM 2773 C1B . HEC A 1128 ? 6.22078 40.87560 19.04988 1.000 8.36659 C ? B ? . C1B 1
   HETATM 2774 C1C . HEC A 1128 ? 4.77150 41.65519 23.06980 1.000 7.29796 C ? B ? . C1C 1
   HETATM 2775 C1D . HEC A 1128 ? 7.06141 38.28944 24.50288 1.000 7.75615 C ? B ? . C1D 1
   HETATM 2776 C2A . HEC A 1128 ? 8.38094 36.70071 19.13785 1.000 8.66299 C ? B ? . C2A 1
   HETATM 2777 C2B . HEC A 1128 ? 5.55529 42.03795 18.45859 1.000 7.60345 C ? B ? . C2B 1
   HETATM 2778 C2C . HEC A 1128 ? 4.31859 42.05263 24.35154 1.000 7.29993 C ? B ? . C2C 1
   HETATM 2779 C2D . HEC A 1128 ? 7.68406 37.14639 25.13555 1.000 8.15465 C ? B ? . C2D 1
   HETATM 2780 C3A . HEC A 1128 ? 7.99474 37.61701 18.22487 1.000 8.46382 C ? B ? . C3A 1
   HETATM 2781 C3B . HEC A 1128 ? 4.82287 42.61675 19.42276 1.000 7.41054 C ? B ? . C3B 1
   HETATM 2782 C3C . HEC A 1128 ? 4.86274 41.25914 25.31286 1.000 6.71292 C ? B ? . C3C 1
   HETATM 2783 C3D . HEC A 1128 ? 8.17807 36.31946 24.14000 1.000 8.97419 C ? B ? . C3D 1
   HETATM 2784 C4A . HEC A 1128 ? 7.41453 38.70553 18.95758 1.000 8.25956 C ? B ? . C4A 1
   HETATM 2785 C4B . HEC A 1128 ? 5.03594 41.89115 20.63549 1.000 7.27123 C ? B ? . C4B 1
   HETATM 2786 C4C . HEC A 1128 ? 5.65179 40.29842 24.62023 1.000 7.11199 C ? B ? . C4C 1
   HETATM 2787 C4D . HEC A 1128 ? 7.90405 37.03381 22.89324 1.000 8.35459 C ? B ? . C4D 1
   HETATM 2788 CAA . HEC A 1128 ? 8.98193 35.34736 18.82653 1.000 10.02698 C ? B ? . CAA 1
   HETATM 2789 CAB . HEC A 1128 ? 3.92867 43.85827 19.31244 1.000 8.61268 C ? B ? . CAB 1
   HETATM 2790 CAC . HEC A 1128 ? 4.74541 41.25750 26.81280 1.000 7.66880 C ? B ? . CAC 1
   HETATM 2791 CAD . HEC A 1128 ? 8.86737 34.94094 24.26871 1.000 10.76902 C ? B ? . CAD 1
   HETATM 2792 CBA . HEC A 1128 ? 7.98206 34.24038 18.76675 1.000 11.23564 C ? B ? . CBA 1
   HETATM 2793 CBB . HEC A 1128 ? 2.93308 43.80481 18.04943 1.000 8.99232 C ? B ? . CBB 1
   HETATM 2794 CBC . HEC A 1128 ? 3.43907 41.87989 27.37254 1.000 8.68602 C ? B ? . CBC 1
   HETATM 2795 CBD . HEC A 1128 ? 7.83593 33.81271 24.26469 1.000 9.61118 C ? B ? . CBD 1
   HETATM 2796 CGA . HEC A 1128 ? 8.59695 32.88330 18.37346 1.000 10.92117 C ? B ? . CGA 1
   HETATM 2797 CGD . HEC A 1128 ? 8.44361 32.40798 24.40438 1.000 9.14081 C ? B ? . CGD 1
   HETATM 2798 CHA . HEC A 1128 ? 8.26454 36.54931 21.62434 1.000 8.72034 C ? B ? . CHA 1
   HETATM 2799 CHB . HEC A 1128 ? 6.92618 39.89350 18.40511 1.000 9.01776 C ? B ? . CHB 1
   HETATM 2800 CHC . HEC A 1128 ? 4.47723 42.25534 21.87696 1.000 6.89437 C ? B ? . CHC 1
   HETATM 2801 CHD . HEC A 1128 ? 6.42041 39.22458 25.14579 1.000 8.09722 C ? B ? . CHD 1
   HETATM 2802 CMA . HEC A 1128 ? 8.13318 37.55656 16.69198 1.000 10.05570 C ? B ? . CMA 1
   HETATM 2803 CMB . HEC A 1128 ? 5.78456 42.45740 17.00415 1.000 9.87840 C ? B ? . CMB 1
   HETATM 2804 CMC . HEC A 1128 ? 3.41335 43.25956 24.55373 1.000 7.86518 C ? B ? . CMC 1
   HETATM 2805 CMD . HEC A 1128 ? 7.77512 36.82441 26.62415 1.000 9.62742 C ? B ? . CMD 1
   HETATM 2806 NA . HEC A 1128 ? 7.40124 38.40184 20.28719 1.000 8.27063 N ? B ? . NA 1
   HETATM 2807 NC . HEC A 1128 ? 5.61921 40.54323 23.24096 1.000 7.73654 N ? B ? . NC 1
   HETATM 2808 O1A . HEC A 1128 ? 9.28645 32.26623 19.16530 1.000 10.94936 O ? B ? . O1A 1
   HETATM 2809 O1D . HEC A 1128 ? 7.94943 31.64877 25.27842 1.000 10.02537 O ? B ? . O1D 1
   HETATM 2810 O2A . HEC A 1128 ? 8.36023 32.47217 17.20416 1.000 14.48202 O ? B ? . O2A 1
   HETATM 2811 O2D . HEC A 1128 ? 9.42759 32.14785 23.71995 1.000 9.39193 O ? B ? . O2D 1
   HETATM 2812 FE . HEC A 1128 ? 6.71680 39.61566 21.79687 1.000 7.78613 Fe ? B ? . FE 1
   HETATM 2813 N . NO A 1129 ? 8.27661 40.64140 22.06092 1.000 10.77876 N ? C ? . N 1
   HETATM 2814 O . NO A 1129 ? 9.27659 40.51453 22.96322 1.000 17.83964 O ? C ? . O 1
   HETATM 2815 O1 . SO4 A 1130 ? 16.23790 39.27969 18.24407 0.662 39.50616 O ? D ? . O1 1
   HETATM 2816 O2 . SO4 A 1130 ? 14.24547 39.28602 19.63701 0.662 34.17854 O ? D ? . O2 1
   HETATM 2817 O3 . SO4 A 1130 ? 15.87888 37.51026 19.89447 0.662 42.50340 O ? D ? . O3 1
   HETATM 2818 O4 . SO4 A 1130 ? 16.44784 39.78882 20.62706 0.662 43.07342 O ? D ? . O4 1
   HETATM 2819 S . SO4 A 1130 ? 15.69279 38.97876 19.61145 0.662 46.18922 S ? D ? . S 1
   HETATM 2821 O . HOH A 2002 ? -4.45734 19.11230 24.80962 0.839 19.77654 O ? E ? . O 1
   HETATM 2822 O . HOH A 2003 ? -6.27616 21.12057 23.72313 0.868 33.46953 O ? E ? . O 1
   HETATM 2824 O . HOH A 2005 ? -2.04393 22.10846 22.20709 0.858 19.98417 O ? E ? . O 1
   HETATM 2825 O . HOH A 2006 ? -0.94519 17.66809 23.11903 0.785 24.00172 O ? E ? . O 1
   HETATM 2826 O . HOH A 2008 ? -1.87173 20.13907 24.34823 0.706 13.39380 O ? E ? . O 1
   HETATM 2827 O . HOH A 2010 ? 4.91886 17.89093 31.70816 0.777 18.09156 O ? E ? . O 1
   HETATM 2829 O . HOH A 2012 ? 0.74543 15.05521 26.05806 0.658 24.61939 O ? E ? . O 1
   HETATM 2831 O . HOH A 2014 ? 9.81778 39.07830 13.82829 0.678 21.87456 O ? E ? . O 1
   HETATM 2833 O . HOH A 2016 ? 2.74227 19.51811 14.02351 0.690 20.49273 O ? E ? . O 1
   HETATM 2836 O . HOH A 2019 ? 9.86678 21.88618 29.51352 0.657 10.08161 O ? E ? . O 1
   HETATM 2837 O . HOH A 2020 ? 7.23299 18.88288 30.46230 0.758 10.04421 O ? E ? . O 1
   HETATM 2838 O . HOH A 2021 ? 7.47631 23.92877 22.53593 0.663 21.39992 O ? E ? . O 1
   HETATM 2839 O . HOH A 2022 ? 10.96622 19.28736 25.76966 0.737 14.23255 O ? E ? . O 1
   HETATM 2840 O . HOH A 2023 ? 6.90251 39.06941 10.44048 0.726 23.02573 O ? E ? . O 1
   HETATM 2841 O . HOH A 2024 ? 8.45702 36.51390 13.32904 0.764 15.64877 O ? E ? . O 1
   HETATM 2842 O . HOH A 2025 ? -15.49946 48.73611 2.84944 0.715 21.88154 O ? E ? . O 1
   HETATM 2843 O . HOH A 2026 ? -11.22541 45.39955 23.12858 0.827 27.09688 O ? E ? . O 1
   HETATM 2845 O . HOH A 2028 ? 0.45246 24.10207 21.13691 0.786 23.98487 O ? E ? . O 1
   HETATM 2846 O . HOH A 2029 ? 1.80291 17.10650 24.72493 0.883 24.45403 O ? E ? . O 1
   HETATM 2847 O . HOH A 2030 ? 8.63358 41.21502 15.10996 0.681 20.45806 O ? E ? . O 1
   HETATM 2851 O . HOH A 2034 ? 2.84048 46.60332 2.03655 0.730 7.44916 O ? E ? . O 1
   HETATM 2852 O . HOH A 2036 ? 1.75092 21.96485 15.21634 0.796 13.72071 O ? E ? . O 1
   HETATM 2853 O . HOH A 2038 ? 7.66911 52.53649 11.25176 0.897 26.15947 O ? E ? . O 1
   HETATM 2854 O . HOH A 2039 ? 7.91332 49.01770 14.11506 0.867 27.30701 O ? E ? . O 1
   HETATM 2856 O . HOH A 2041 ? 8.51541 45.90025 2.38288 0.797 28.37602 O ? E ? . O 1
   HETATM 2857 O . HOH A 2042 ? 4.79085 46.52936 -0.06231 0.414 6.85760 O ? E ? . O 1
   HETATM 2858 O . HOH A 2043 ? 10.35157 51.54529 -1.22484 0.893 25.38043 O ? E ? . O 1
   HETATM 2859 O . HOH A 2044 ? -4.44148 58.73109 1.92971 0.908 29.78159 O ? E ? . O 1
   HETATM 2861 O . HOH A 2050 ? 11.90142 27.95392 22.11661 0.801 18.75329 O ? E ? . O 1
   HETATM 2862 O . HOH A 2051 ? 7.72777 27.88742 17.82447 0.515 15.97131 O ? E ? . O 1
   HETATM 2863 O . HOH A 2052 ? 7.85740 25.76254 20.45847 0.457 19.75462 O ? E ? . O 1
   HETATM 2864 O . HOH A 2053 ? -14.16267 48.75499 5.31270 0.879 14.88974 O ? E ? . O 1
   HETATM 2865 O . HOH A 2054 ? -13.06194 52.64582 3.26030 0.730 17.79199 O ? E ? . O 1
   HETATM 2866 O . HOH A 2055 ? -12.98993 44.78128 3.78086 0.933 23.09167 O ? E ? . O 1
   HETATM 2868 O . HOH A 2057 ? -9.46365 39.91931 6.92766 0.836 15.11905 O ? E ? . O 1
   HETATM 2869 O . HOH A 2058 ? -11.66312 39.66115 11.23007 0.794 21.14164 O ? E ? . O 1
   HETATM 2871 O . HOH A 2062 ? 6.12708 37.00963 12.09560 0.871 12.76608 O ? E ? . O 1
   HETATM 2872 O . HOH A 2063 ? -11.46054 48.23876 19.91523 0.712 16.57409 O ? E ? . O 1
   HETATM 2873 O . HOH A 2064 ? -10.56807 39.96299 20.50219 0.980 37.37207 O ? E ? . O 1
   HETATM 2874 O . HOH A 2065 ? -8.93885 44.71966 21.51893 0.600 11.01168 O ? E ? . O 1
   HETATM 2875 O . HOH A 2066 ? -9.62943 35.83802 22.98977 0.861 16.19008 O ? E ? . O 1
   HETATM 2876 O . HOH A 2067 ? -7.54321 32.59575 24.95777 0.698 13.22638 O ? E ? . O 1
   HETATM 2877 O . HOH A 2068 ? -7.85495 34.91396 29.23981 0.884 30.06822 O ? E ? . O 1
   HETATM 2879 O . HOH A 2073 ? 6.65572 42.91038 13.53102 0.707 18.76785 O ? E ? . O 1
   HETATM 2880 O . HOH A 2074 ? -1.94469 32.95292 35.05591 0.771 30.62814 O ? E ? . O 1
   HETATM 2881 O . HOH A 2075 ? 4.80563 39.10118 7.53407 0.881 12.87278 O ? E ? . O 1
   HETATM 2882 O . HOH A 2076 ? 18.82612 34.65569 37.89494 0.846 25.28328 O ? E ? . O 1
   HETATM 2884 O . HOH A 2078 ? 13.13597 38.84758 40.73194 0.632 14.58644 O ? E ? . O 1
   HETATM 2885 O . HOH A 2080 ? 8.07626 43.17646 9.10276 0.836 30.72695 O ? E ? . O 1
   HETATM 2886 O . HOH A 2081 ? 7.27944 45.02735 6.36417 0.674 21.87858 O ? E ? . O 1
   HETATM 2887 O . HOH A 2082 ? 3.45895 44.26025 3.46330 0.775 7.91525 O ? E ? . O 1
   HETATM 2888 O . HOH A 2083 ? -1.22067 36.56692 5.18548 0.852 9.83101 O ? E ? . O 1
   HETATM 2889 O . HOH A 2084 ? 6.00473 41.34230 9.08623 0.621 18.16851 O ? E ? . O 1
   HETATM 2890 O . HOH A 2085 ? -3.05784 41.66635 5.28982 0.960 17.61894 O ? E ? . O 1
   HETATM 2891 O . HOH A 2086 ? -3.83489 38.82598 3.48663 0.769 16.78725 O ? E ? . O 1
   HETATM 2892 O . HOH A 2087 ? -0.20698 46.01408 4.65436 0.861 10.39344 O ? E ? . O 1
   HETATM 2893 O . HOH A 2088 ? -2.42914 42.76786 38.46134 0.749 26.54308 O ? E ? . O 1
   HETATM 2894 O . HOH A 2089 ? 7.98946 49.51171 11.43846 0.795 24.42731 O ? E ? . O 1
   HETATM 2895 O . HOH A 2090 ? 8.04311 45.66361 10.24423 0.668 24.36418 O ? E ? . O 1
   HETATM 2897 O . HOH A 2092 ? 4.78640 49.18800 28.44580 0.774 9.85768 O ? E ? . O 1
   HETATM 2898 O . HOH A 2093 ? -8.10842 44.93468 25.77184 0.998 28.89151 O ? E ? . O 1
   HETATM 2901 O . HOH A 2097 ? 3.86353 58.52562 0.63552 0.889 21.82245 O ? E ? . O 1
   HETATM 2902 O . HOH A 2098 ? -14.70944 55.65245 13.16804 0.825 28.18557 O ? E ? . O 1
   HETATM 2903 O . HOH A 2099 ? -13.71342 53.89558 17.05781 0.759 16.61303 O ? E ? . O 1
   HETATM 2904 O . HOH A 2100 ? 6.50466 48.87826 -0.59760 0.789 15.27992 O ? E ? . O 1
   HETATM 2905 O . HOH A 2102 ? 8.53301 48.63476 1.25672 0.717 21.97060 O ? E ? . O 1
   HETATM 2906 O . HOH A 2103 ? 7.82448 52.32947 -2.60375 0.762 15.34240 O ? E ? . O 1
   HETATM 2907 O . HOH A 2104 ? 6.02659 49.96002 -4.58378 0.914 27.54384 O ? E ? . O 1
   HETATM 2909 O . HOH A 2108 ? 0.46062 54.66895 2.54896 0.777 8.16921 O ? E ? . O 1
   HETATM 2910 O . HOH A 2110 ? 3.46137 60.24802 13.71077 0.960 19.28166 O ? E ? . O 1
   HETATM 2911 O . HOH A 2111 ? -0.23873 62.48821 15.39471 0.448 22.75941 O ? E ? . O 1
   HETATM 2912 O . HOH A 2112 ? -0.90902 48.63323 0.16989 0.818 7.50166 O ? E ? . O 1
   HETATM 2913 O . HOH A 2113 ? -2.56115 55.46965 -1.27014 0.910 14.36379 O ? E ? . O 1
   HETATM 2914 O . HOH A 2114 ? -4.80085 56.64942 0.07441 0.845 18.18797 O ? E ? . O 1
   HETATM 2915 O . HOH A 2115 ? -5.64492 53.46422 -1.96011 0.623 12.16383 O ? E ? . O 1
   HETATM 2916 O . HOH A 2116 ? -7.90029 52.08049 7.77429 0.831 8.28417 O ? E ? . O 1
   HETATM 2917 O . HOH A 2119 ? 6.58205 53.27188 13.71746 0.764 15.82997 O ? E ? . O 1
   HETATM 2918 O . HOH A 2120 ? 5.73092 57.05616 15.33347 0.567 20.17033 O ? E ? . O 1
   HETATM 2919 O . HOH A 2122 ? -10.11403 46.83545 0.00700 0.437 17.12456 O ? E ? . O 1
   HETATM 2925 O . HOH A 2129 ? 10.41023 52.50303 21.68635 0.604 17.97661 O ? E ? . O 1
   HETATM 2926 O . HOH A 2130 ? 8.11710 52.47275 26.19255 0.686 21.39553 O ? E ? . O 1
   HETATM 2927 O . HOH A 2131 ? -12.96457 51.25234 5.61341 0.978 15.76113 O ? E ? . O 1
   HETATM 2928 O . HOH A 2132 ? -12.62543 46.53124 5.81697 0.803 10.85539 O ? E ? . O 1
   HETATM 2929 O . HOH A 2133 ? -10.94019 51.74692 1.31119 0.854 15.73110 O ? E ? . O 1
   HETATM 2932 O . HOH A 2136 ? 11.35306 49.94036 28.13420 0.655 18.98938 O ? E ? . O 1
   HETATM 2933 O . HOH A 2137 ? 0.09672 46.63700 1.88679 0.787 7.11523 O ? E ? . O 1
   HETATM 2934 O . HOH A 2138 ? -6.70362 43.24541 4.73606 0.827 11.74057 O ? E ? . O 1
   HETATM 2935 O . HOH A 2139 ? -3.20735 49.84839 2.59222 0.805 7.23917 O ? E ? . O 1
   HETATM 2936 O . HOH A 2140 ? -4.58709 42.53311 3.11145 0.636 17.53326 O ? E ? . O 1
   HETATM 2937 O . HOH A 2142 ? 13.51579 45.50163 32.94567 0.850 35.63222 O ? E ? . O 1
   HETATM 2939 O . HOH A 2144 ? -16.40372 48.51473 7.03326 0.843 27.50985 O ? E ? . O 1
   HETATM 2941 O . HOH A 2146 ? -10.74026 41.16011 9.12034 0.776 11.89402 O ? E ? . O 1
   HETATM 2943 O . HOH A 2148 ? -2.38446 44.74691 5.78000 1.000 16.71527 O ? E ? . O 1
   HETATM 2944 O . HOH A 2149 ? -7.09687 41.26729 6.69193 0.549 11.91915 O ? E ? . O 1
   HETATM 2945 O . HOH A 2150 ? -13.37547 47.20143 12.75993 0.759 26.12669 O ? E ? . O 1
   HETATM 2946 O . HOH A 2151 ? -13.37397 45.17213 8.08415 0.871 19.02308 O ? E ? . O 1
   HETATM 2947 O . HOH A 2152 ? -13.02429 42.37447 8.08074 0.643 21.42304 O ? E ? . O 1
   HETATM 2948 O . HOH A 2153 ? -8.92712 42.07069 21.53820 0.765 18.12202 O ? E ? . O 1
   HETATM 2949 O . HOH A 2154 ? -13.27617 47.14228 18.12055 0.579 16.94136 O ? E ? . O 1
   HETATM 2950 O . HOH A 2155 ? -11.60222 40.51112 18.25120 0.982 32.30960 O ? E ? . O 1
   HETATM 2951 O . HOH A 2156 ? -10.91453 38.94020 13.60725 0.690 18.20738 O ? E ? . O 1
   HETATM 2952 O . HOH A 2157 ? -9.13753 37.11119 20.61239 0.827 9.85714 O ? E ? . O 1
   HETATM 2953 O . HOH A 2158 ? 11.27187 30.49345 18.41498 0.884 29.06729 O ? E ? . O 1
   HETATM 2954 O . HOH A 2159 ? -5.12083 32.17821 23.89750 0.744 6.66621 O ? E ? . O 1
   HETATM 2955 O . HOH A 2160 ? -5.27882 36.25070 29.10628 0.836 18.52256 O ? E ? . O 1
   HETATM 2956 O . HOH A 2161 ? -0.07859 36.52436 30.77459 0.592 15.41184 O ? E ? . O 1
   HETATM 2957 O . HOH A 2164 ? -0.93838 28.72236 29.84051 0.878 9.71181 O ? E ? . O 1
   HETATM 2958 O . HOH A 2165 ? -4.07082 30.56529 31.40959 0.950 19.25150 O ? E ? . O 1
   HETATM 2959 O . HOH A 2166 ? -4.89822 29.16037 27.73271 0.686 9.22560 O ? E ? . O 1
   HETATM 2960 O . HOH A 2167 ? -4.72751 35.62094 26.47698 0.666 13.09103 O ? E ? . O 1
   HETATM 2961 O . HOH A 2168 ? 1.08088 35.06535 32.90613 0.871 16.11118 O ? E ? . O 1
   HETATM 2963 O . HOH A 2170 ? -1.39443 26.82531 33.61795 0.633 18.38929 O ? E ? . O 1
   HETATM 2965 O . HOH A 2172 ? 7.59642 24.70129 32.83911 0.912 14.23342 O ? E ? . O 1
   HETATM 2966 O . HOH A 2173 ? 4.30585 29.08388 37.44086 0.795 14.73990 O ? E ? . O 1
   HETATM 2967 O . HOH A 2174 ? 8.66998 24.13441 28.69189 0.807 11.77583 O ? E ? . O 1
   HETATM 2968 O . HOH A 2176 ? 14.13517 27.95546 23.12549 0.727 31.94598 O ? E ? . O 1
   HETATM 2969 O . HOH A 2177 ? 12.58590 33.51097 20.58042 0.675 18.67473 O ? E ? . O 1
   HETATM 2971 O . HOH A 2180 ? 15.52893 36.42543 33.72522 0.590 24.19781 O ? E ? . O 1
   HETATM 2972 O . HOH A 2181 ? 14.07183 36.72569 39.46169 0.917 16.28555 O ? E ? . O 1
   HETATM 2973 O . HOH A 2182 ? 2.23681 36.38653 34.88846 0.810 13.91694 O ? E ? . O 1
   HETATM 2974 O . HOH A 2183 ? 2.71664 33.76200 38.79685 0.723 19.98801 O ? E ? . O 1
   HETATM 2975 O . HOH A 2184 ? 11.82270 34.89207 38.82316 0.624 11.64585 O ? E ? . O 1
   HETATM 2976 O . HOH A 2185 ? 6.05957 36.66924 43.45479 0.674 17.78393 O ? E ? . O 1
   HETATM 2977 O . HOH A 2187 ? 9.81222 38.21962 43.88165 0.633 18.26876 O ? E ? . O 1
   HETATM 2978 O . HOH A 2188 ? 10.37045 38.51806 41.14633 0.711 14.62976 O ? E ? . O 1
   HETATM 2979 O . HOH A 2189 ? 9.72809 42.42342 36.29138 0.768 17.37139 O ? E ? . O 1
   HETATM 2980 O . HOH A 2190 ? 7.12129 40.69619 42.55518 0.912 28.37387 O ? E ? . O 1
   HETATM 2982 O . HOH A 2192 ? 0.56040 38.60699 34.70633 0.768 10.98783 O ? E ? . O 1
   HETATM 2983 O . HOH A 2193 ? -1.69843 38.33521 36.55236 0.804 19.89572 O ? E ? . O 1
   HETATM 2984 O . HOH A 2194 ? -1.78475 40.23758 38.57662 0.697 21.45311 O ? E ? . O 1
   HETATM 2985 O . HOH A 2195 ? -1.10456 44.85793 36.90083 0.640 20.57228 O ? E ? . O 1
   HETATM 2986 O . HOH A 2196 ? 4.74399 42.49239 39.71486 0.794 15.50123 O ? E ? . O 1
   HETATM 2987 O . HOH A 2199 ? -5.55635 37.78696 36.95488 0.833 31.38250 O ? E ? . O 1
   HETATM 2991 O . HOH A 2206 ? 1.28261 50.81997 34.27881 0.581 14.88556 O ? E ? . O 1
   HETATM 2992 O . HOH A 2207 ? 1.82858 50.25089 36.67096 0.476 13.21642 O ? E ? . O 1
   HETATM 2994 O . HOH A 2211 ? 4.31711 46.76998 27.00014 0.719 6.68944 O ? E ? . O 1
   HETATM 2995 O . HOH A 2212 ? 10.40364 47.88667 31.90934 0.788 23.96713 O ? E ? . O 1
   HETATM 2997 O . HOH A 2214 ? -1.12410 38.50703 32.29053 0.729 15.83857 O ? E ? . O 1
   HETATM 2998 O . HOH A 2218 ? -6.46524 39.40200 26.81467 0.795 25.83722 O ? E ? . O 1
   HETATM 3000 O . HOH A 2220 ? -6.83195 45.06632 23.21295 0.598 11.85452 O ? E ? . O 1
   HETATM 3001 O A HOH A 2221 ? -6.16413 43.17398 21.58243 0.416 10.07765 O ? E ? . O 1
   HETATM 3002 O B HOH A 2221 ? -5.77097 42.55692 22.72290 0.584 13.86202 O ? E ? . O 1
   HETATM 3003 O . HOH A 2222 ? -4.57694 53.05963 28.93919 0.838 12.80280 O ? E ? . O 1
   HETATM 3006 O . HOH A 2225 ? -1.98668 52.80277 19.43061 0.724 9.31956 O ? E ? . O 1
   HETATM 3007 O . HOH A 2226 ? -11.08419 50.93267 19.14135 0.897 13.48415 O ? E ? . O 1
   HETATM 3008 O . HOH A 2227 ? -6.47799 56.25737 17.34481 0.658 16.50596 O ? E ? . O 1
   HETATM 3010 O . HOH A 2229 ? -9.05623 46.85433 19.50206 0.633 10.63778 O ? E ? . O 1
   HETATM 3012 O . HOH A 2231 ? -12.65352 55.41940 15.05643 0.939 17.99830 O ? E ? . O 1
   HETATM 3013 O . HOH A 2232 ? -8.20395 57.52213 15.96837 0.603 17.21292 O ? E ? . O 1
   HETATM 3014 O . HOH A 2233 ? -11.69671 52.83097 7.53552 0.798 13.95660 O ? E ? . O 1
   HETATM 3015 O . HOH A 2234 ? -12.79327 51.36785 17.04121 0.758 13.59000 O ? E ? . O 1
   HETATM 3016 O . HOH A 2235 ? -9.84072 47.85189 12.50545 0.814 10.62972 O ? E ? . O 1
   HETATM 3017 O . HOH A 2236 ? -13.10949 55.03964 7.04205 0.781 27.82116 O ? E ? . O 1
   HETATM 3018 O . HOH A 2237 ? -15.18919 52.44266 9.67268 0.679 27.60038 O ? E ? . O 1
   HETATM 3019 O . HOH A 2238 ? -12.53686 47.33579 15.61877 0.789 21.41691 O ? E ? . O 1
   HETATM 3021 O . HOH A 2240 ? -10.09327 57.17935 4.43681 0.929 27.87269 O ? E ? . O 1
   HETATM 3023 O . HOH A 2242 ? -6.11362 59.54793 5.70521 1.000 29.46068 O ? E ? . O 1
   HETATM 3024 O . HOH A 2243 ? -2.31563 65.34657 6.60168 0.702 17.75281 O ? E ? . O 1
   HETATM 3025 O . HOH A 2244 ? 0.83688 61.19103 12.90566 0.970 20.75257 O ? E ? . O 1
   HETATM 3026 O . HOH A 2245 ? 0.98347 61.47103 10.18120 0.921 29.50300 O ? E ? . O 1
   HETATM 3027 O . HOH A 2246 ? 1.43173 64.75249 8.26395 0.882 22.21922 O ? E ? . O 1
   HETATM 3028 O A HOH A 2247 ? -4.57485 63.77072 7.60208 0.621 17.24584 O ? E ? . O 1
   HETATM 3030 O . HOH A 2248 ? 9.04355 42.70831 19.99651 0.861 24.64903 O ? E ? . O 1
   HETATM 3031 O . HOH A 2249 ? -3.77602 57.57857 16.66705 0.649 19.37922 O ? E ? . O 1
   HETATM 3032 O . HOH A 2252 ? 4.81794 55.10592 13.02877 0.825 23.26790 O ? E ? . O 1
   HETATM 3034 O . HOH A 2254 ? 3.90070 57.34027 17.30299 0.922 19.13598 O ? E ? . O 1
   HETATM 3035 O . HOH A 2255 ? 6.52694 50.98785 15.41267 0.740 18.76849 O ? E ? . O 1
   HETATM 3036 O . HOH A 2256 ? 7.79882 52.41368 17.68014 0.874 22.48108 O ? E ? . O 1
   HETATM 3037 O . HOH A 2257 ? 7.65622 54.50000 18.53582 0.778 26.14178 O ? E ? . O 1
   HETATM 3038 O . HOH A 2258 ? 5.46262 56.14977 19.35637 0.768 20.42996 O ? E ? . O 1
   HETATM 3039 O . HOH A 2259 ? 4.83035 55.78019 22.15292 0.760 13.94767 O ? E ? . O 1
   HETATM 3040 O . HOH A 2260 ? 3.40267 53.51704 23.35370 0.802 13.12189 O ? E ? . O 1
   HETATM 3041 O . HOH A 2261 ? 8.86908 47.15292 18.30671 0.745 24.16968 O ? E ? . O 1
   HETATM 3042 O . HOH A 2262 ? 9.52708 51.15516 24.02816 0.852 17.33158 O ? E ? . O 1
   HETATM 3043 O . HOH A 2263 ? 5.46930 52.23314 25.39691 0.664 16.41776 O ? E ? . O 1
   HETATM 3044 O . HOH A 2264 ? 9.69713 51.32539 19.16297 0.717 22.87894 O ? E ? . O 1
   HETATM 3045 O . HOH A 2265 ? 3.65910 50.86386 26.48347 0.771 10.27496 O ? E ? . O 1
   HETATM 3046 O . HOH A 2266 ? 10.00404 44.83884 19.62745 1.000 29.36660 O ? E ? . O 1
   HETATM 3047 O . HOH A 2267 ? 11.23961 47.58351 29.21276 0.846 17.45200 O ? E ? . O 1
   HETATM 3048 O . HOH A 2268 ? 14.99832 41.39797 25.33611 0.613 22.13558 O ? E ? . O 1
   HETATM 3049 O . HOH A 2269 ? 13.83503 46.70254 30.20836 0.716 20.23460 O ? E ? . O 1
   HETATM 3050 O . HOH A 2270 ? 11.70250 49.74947 25.52029 0.727 22.21145 O ? E ? . O 1
   HETATM 3051 O . HOH A 2271 ? 14.81058 45.94582 21.78351 0.613 26.64050 O ? E ? . O 1
   HETATM 3052 O . HOH A 2272 ? 16.73722 43.42074 24.60632 0.541 28.96720 O ? E ? . O 1
   HETATM 3053 O . HOH A 2273 ? 8.36915 45.40306 33.97747 0.801 22.02832 O ? E ? . O 1
   HETATM 3054 O . HOH A 2274 ? 11.98687 38.37901 17.58872 0.761 31.06018 O ? E ? . O 1
   HETATM 3056 O . HOH A 2276 ? 10.46428 39.71938 19.71692 0.686 18.15498 O ? E ? . O 1
   HETATM 3057 O . HOH A 2277 ? 15.41233 39.38854 23.72068 0.648 23.99096 O ? E ? . O 1
   HETATM 3060 O . HOH A 2280 ? 15.59925 35.42390 22.75581 0.979 37.55042 O ? E ? . O 1
   HETATM 3062 O . HOH A 2282 ? 10.17018 33.44456 21.45135 0.734 7.33318 O ? E ? . O 1
   HETATM 5297 O . HOH S 2283 ? -0.80321 63.60109 5.03672 0.999 25.27142 O ? F ? . O 1
   HETATM 5299 O . HOH S 2285 ? -8.51540 54.31642 1.11909 0.823 20.68493 O ? F ? . O 1
   HETATM 5300 O . HOH S 2286 ? 4.92501 27.23685 17.55851 0.445 12.35588 O ? F ? . O 1
   HETATM 5301 O . HOH S 2287 ? -0.47477 49.70689 38.16027 0.517 16.10701 O ? F ? . O 1
   HETATM 5302 O . HOH S 2288 ? -6.40307 46.30576 27.76271 0.410 15.54918 O ? F ? . O 1
   HETATM 5303 O . HOH S 2289 ? 13.31813 28.27520 29.02301 0.559 23.48257 O ? F ? . O 1
   HETATM 5304 O . HOH S 2290 ? -1.40005 32.93775 30.98943 0.487 18.28940 O ? F ? . O 1
   HETATM 5309 O . HOH S 2295 ? -3.84168 35.46678 31.17595 0.791 29.49957 O ? F ? . O 1
   HETATM 5313 O . HOH S 2299 ? 7.90583 45.01915 12.77858 0.721 25.54617 O ? F ? . O 1
   HETATM 5315 O . HOH S 2301 ? 10.71717 48.87731 17.66628 0.984 35.95367 O ? F ? . O 1
   HETATM 5322 O . HOH S 2308 ? 12.73342 34.98432 18.54147 0.410 16.63709 O ? F ? . O 1
   HETATM 5323 O . HOH S 2309 ? 9.48256 49.25636 5.29427 1.000 40.95340 O ? F ? . O 1
   HETATM 5325 O . HOH S 2311 ? -15.28348 52.58840 6.85494 1.000 40.37547 O ? F ? . O 1
   HETATM 5326 O . HOH S 2312 ? -8.75645 42.03499 24.62854 1.000 39.30751 O ? F ? . O 1
   HETATM 5328 O . HOH S 2314 ? 9.47229 54.48245 20.51392 0.493 27.51076 O ? F ? . O 1
   HETATM 5331 O . HOH S 2317 ? -8.14621 42.00944 28.06017 0.788 31.05662 O ? F ? . O 1
   HETATM 5334 O . HOH S 2320 ? 11.01599 45.91922 33.95363 0.964 30.95150 O ? F ? . O 1
   HETATM 5338 O . HOH S 2324 ? 1.93347 17.75891 31.89349 0.518 23.19180 O ? F ? . O 1
   HETATM 5342 O . HOH S 2328 ? -6.62142 58.81269 3.18563 0.469 24.90911 O ? F ? . O 1
   HETATM 5343 O . HOH S 2329 ? 5.00273 58.42365 12.89335 0.419 18.57090 O ? F ? . O 1
   HETATM 5354 O . HOH S 2340 ? 16.50602 36.94944 37.39736 0.535 25.11922 O ? F ? . O 1
   HETATM 5358 O . HOH S 2344 ? 12.48073 45.39585 19.60687 0.869 46.71856 O ? F ? . O 1
   HETATM 5359 O . HOH S 2345 ? -8.38267 57.14617 2.36968 0.715 33.07411 O ? F ? . O 1
   HETATM 5373 O . HOH S 2359 ? 7.65480 39.32920 44.88083 0.622 24.78484 O ? F ? . O 1
   HETATM 5400 O . HOH S 2360 ? -9.94245 46.44618 14.89363 0.971 12.42171 O ? G ? . O 1
   HETATM 5402 O . HOH S 2362 ? -0.43573 46.74548 38.89630 0.644 21.05976 O ? G ? . O 1
   HETATM 5404 O . HOH S 2364 ? -7.57226 51.67183 -2.88824 0.604 18.64814 O ? G ? . O 1
   HETATM 5406 O . HOH S 2366 ? 12.44581 41.11020 39.22639 0.616 22.05829 O ? G ? . O 1
   HETATM 5409 O . HOH S 2369 ? 13.05883 25.89667 28.37374 0.319 11.09217 O ? G ? . O 1
   HETATM 5413 O . HOH S 2373 ? -1.99844 35.30156 18.04035 0.236 6.92810 O ? G ? . O 1
   HETATM 5417 O . HOH S 2377 ? -8.26392 53.53694 -1.56907 0.488 19.40356 O ? G ? . O 1
   HETATM 5418 O . HOH S 2378 ? 1.58414 20.51471 32.55829 0.623 28.31514 O ? G ? . O 1
   HETATM 5423 O . HOH S 2383 ? 6.16592 57.80033 1.00336 0.569 20.97923 O ? G ? . O 1
   HETATM 5427 O . HOH S 2387 ? -8.87703 39.46971 26.16003 0.622 28.00593 O ? G ? . O 1
   HETATM 5428 O . HOH S 2388 ? 8.50684 47.26307 15.81981 0.708 37.40856 O ? G ? . O 1
   HETATM 5431 O . HOH S 2391 ? 6.59138 43.24658 41.35885 0.997 35.73060 O ? G ? . O 1
   HETATM 5433 O . HOH S 2393 ? -13.24166 42.49694 5.05377 0.828 34.07629 O ? G ? . O 1
   HETATM 5435 O . HOH S 2395 ? -10.37833 40.70944 4.45219 0.409 15.43566 O ? G ? . O 1
   HETATM 5440 O . HOH S 2400 ? 6.86697 21.31261 21.24810 0.486 23.98303 O ? G ? . O 1
   HETATM 5443 O . HOH S 2403 ? 16.04441 34.70596 31.78630 0.486 24.98744 O ? G ? . O 1
   HETATM 5444 O . HOH S 2404 ? 1.48848 21.02219 20.77749 0.389 14.65081 O ? G ? . O 1
   HETATM 5454 O . HOH S 2414 ? -1.61893 34.97501 33.53998 1.000 54.47797 O ? G ? . O 1
   HETATM 5455 O . HOH S 2415 ? 11.06754 40.61001 17.63229 0.623 39.94310 O ? G ? . O 1
   HETATM 5458 O . HOH S 2418 ? 11.57251 42.98345 18.52088 0.958 40.92367 O ? G ? . O 1
   HETATM 5462 O . HOH S 2422 ? -8.75572 36.94999 25.14823 0.431 18.92160 O ? G ? . O 1
   HETATM 5463 O . HOH S 2423 ? -9.04292 45.64002 23.80975 0.231 19.72705 O ? G ? . O 1
   HETATM 5467 O . HOH S 2427 ? 9.14012 46.86282 6.09308 0.667 29.25771 O ? G ? . O 1
   HETATM 5468 O . HOH S 2428 ? 17.63536 38.42735 39.17847 0.509 27.98148 O ? G ? . O 1
   HETATM 5491 O . HOH S 2430 ? -2.34493 57.17875 18.76086 0.534 17.47069 O ? H ? . O 1
   HETATM 5492 O . HOH S 2431 ? -4.10725 61.31703 7.03742 0.424 19.61547 O ? H ? . O 1
   HETATM 5493 O . HOH S 2432 ? -9.23092 50.58309 -3.23960 0.522 16.49184 O ? H ? . O 1
   HETATM 5494 O . HOH S 2433 ? 11.53579 24.60426 28.45819 0.402 16.81501 O ? H ? . O 1
   HETATM 5497 O . HOH S 2436 ? 4.01828 25.29453 15.58876 0.539 28.06043 O ? H ? . O 1
   HETATM 5498 O . HOH S 2437 ? 0.85336 22.75716 19.37444 0.353 13.42207 O ? H ? . O 1
   HETATM 5501 O . HOH S 2440 ? -10.52115 48.76488 -2.22532 0.371 17.01794 O ? H ? . O 1
   HETATM 5503 O . HOH S 2442 ? -4.74224 38.40209 30.44180 0.344 14.71669 O ? H ? . O 1
   HETATM 5504 O . HOH S 2443 ? 7.76065 59.84685 1.58676 0.607 28.47894 O ? H ? . O 1
   HETATM 5508 O . HOH S 2447 ? -6.02170 37.08577 26.56076 0.319 14.76097 O ? H ? . O 1
   HETATM 5510 O . HOH S 2449 ? 4.73472 27.33153 15.49102 0.489 29.57754 O ? H ? . O 1
   HETATM 5514 O . HOH S 2453 ? -1.73197 23.81205 20.73707 0.329 16.48030 O ? H ? . O 1
   HETATM 5516 O . HOH S 2455 ? 20.84878 36.64030 38.24489 0.672 31.52802 O ? H ? . O 1
   HETATM 5517 O . HOH S 2456 ? 7.25280 56.42026 8.98453 0.445 18.60431 O ? H ? . O 1
   HETATM 5525 O . HOH S 2464 ? 9.66267 42.40109 17.26085 0.422 26.34135 O ? H ? . O 1
   HETATM 5527 O . HOH S 2466 ? 8.19515 56.17899 1.74758 0.344 15.74600 O ? H ? . O 1
   HETATM 5530 O . HOH S 2469 ? -13.34237 57.64206 15.82938 0.374 23.29847 O ? H ? . O 1
   HETATM 5538 O . HOH S 2477 ? 0.32689 21.12961 30.56359 0.288 16.05003 O ? H ? . O 1
   HETATM 5540 O . HOH S 2479 ? 13.06834 52.98707 22.26653 0.406 24.35206 O ? H ? . O 1
   HETATM 5541 O . HOH S 2480 ? 8.41193 45.19636 8.10298 0.319 26.88884 O ? H ? . O 1
   HETATM 5542 O . HOH S 2481 ? 5.64743 58.40105 7.20560 0.285 17.33519 O ? H ? . O 1
   HETATM 5543 O . HOH S 2482 ? 7.45438 41.74947 11.05321 0.316 29.09902 O ? H ? . O 1
   HETATM 5548 O . HOH S 2487 ? 7.37746 45.88508 17.19067 0.328 22.63281 O ? H ? . O 1
   HETATM 5550 O . HOH S 2489 ? -2.26563 61.40391 16.41101 0.512 30.75545 O ? H ? . O 1
   HETATM 5556 O . HOH S 2495 ? -15.62024 50.36812 14.64035 0.506 26.70321 O ? H ? . O 1
   HETATM 5587 O . HOH S 2501 ? -3.34324 32.31083 32.64827 0.592 25.87593 O ? I ? . O 1
   HETATM 5589 O . HOH S 2503 ? -0.59901 58.34356 18.98191 0.581 25.08891 O ? I ? . O 1
   HETATM 5590 O . HOH S 2504 ? -9.20130 33.00118 23.06855 0.479 17.46809 O ? I ? . O 1
   HETATM 5592 O . HOH S 2506 ? -7.63463 35.01000 25.92803 0.498 32.65362 O ? I ? . O 1
   HETATM 5597 O . HOH S 2511 ? 12.62393 29.90544 21.33053 0.438 31.65436 O ? I ? . O 1
   HETATM 5601 O . HOH S 2515 ? -1.70143 16.67783 30.67012 0.620 38.13418 O ? I ? . O 1
   HETATM 5606 O . HOH S 2520 ? 8.81165 44.34587 16.84797 0.285 17.21184 O ? I ? . O 1
   HETATM 5607 O . HOH S 2521 ? -3.48149 37.56731 33.06158 0.492 23.76950 O ? I ? . O 1
   HETATM 5621 O . HOH S 2535 ? -9.00809 34.25967 27.44383 0.529 35.15001 O ? I ? . O 1
   HETATM 5623 O . HOH S 2537 ? -3.49383 45.14919 34.92450 0.456 24.77600 O ? I ? . O 1
   HETATM 5626 O . HOH S 2540 ? -5.83428 38.06153 33.45084 0.573 36.80559 O ? I ? . O 1
   HETATM 5629 O . HOH S 2543 ? -7.64168 44.21794 27.86155 0.330 26.66701 O ? I ? . O 1
   HETATM 5632 O . HOH S 2546 ? 18.05688 38.17871 41.85204 0.504 28.50557 O ? I ? . O 1
   HETATM 5635 O . HOH S 2549 ? 1.22796 17.63449 22.10170 0.393 25.07724 O ? I ? . O 1
   HETATM 5637 O . HOH S 2551 ? 18.93557 36.59905 39.68570 0.271 24.69585 O ? I ? . O 1
   HETATM 5652 O . HOH S 2552 ? 0.94966 56.59931 1.08247 0.580 14.35466 O ? J ? . O 1
   HETATM 5653 O . HOH S 2553 ? 5.22097 24.63205 13.83474 0.649 21.94702 O ? J ? . O 1
   HETATM 5655 O . HOH S 2555 ? -9.70796 30.94022 23.56188 0.653 27.02307 O ? J ? . O 1
   HETATM 5657 O . HOH S 2557 ? 2.51846 46.25356 38.94467 0.472 18.07392 O ? J ? . O 1
   HETATM 5658 O . HOH S 2558 ? -3.40248 27.08984 35.04684 0.421 17.35998 O ? J ? . O 1
   HETATM 5661 O . HOH S 2561 ? -5.82350 63.72594 11.10109 0.800 43.72421 O ? J ? . O 1
   HETATM 5676 O . HOH S 2576 ? -3.19097 43.29993 40.84479 0.478 22.73690 O ? J ? . O 1
   HETATM 5679 O . HOH S 2579 ? 3.72880 57.90526 5.73890 0.285 19.70729 O ? J ? . O 1
   HETATM 5681 O . HOH S 2581 ? 1.80676 63.39579 10.56374 0.288 20.66484 O ? J ? . O 1
   HETATM 5691 O . HOH S 2591 ? -10.78575 50.50844 -0.59338 0.290 21.41913 O ? J ? . O 1
   HETATM 5692 O . HOH S 2592 ? -8.18275 60.98639 11.28535 0.282 22.02133 O ? J ? . O 1
   HETATM 5696 O . HOH S 2596 ? 10.35418 46.34761 9.06799 0.399 34.29808 O ? J ? . O 1
   HETATM 5698 O . HOH S 2598 ? -0.43812 39.56414 40.87611 0.462 19.23220 O ? J ? . O 1
   HETATM 5701 O . HOH S 2601 ? -12.33040 47.71527 -0.97464 0.388 22.13465 O ? J ? . O 1
   HETATM 5702 O . HOH S 2602 ? 14.43954 41.23219 37.53830 0.540 35.11728 O ? J ? . O 1

data_comp_PCA
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
  _chem_comp_atom.partial_charge
  _chem_comp_atom.x
  _chem_comp_atom.y
  _chem_comp_atom.z
   PCA N N NH1 0 -0.599 38.6874 57.7792 68.0159
   PCA CA C CH1 0 -0.205 38.4569 58.9100 67.1424
   PCA CB C CH2 0 -0.462 37.3719 59.6735 67.9229
   PCA CG C CH2 0 -0.585 37.6997 59.3562 69.3782
   PCA CD C C 0 0.504 38.4098 58.0175 69.3102
   PCA OE O O 0 -0.496 38.6835 57.2922 70.2534
   PCA C C C 0 0.403 39.7108 59.7897 66.9084
   PCA O O O 0 -0.591 40.7127 59.5622 67.6083
   PCA OXT O OC -1 -0.610 39.5709 60.6688 66.0354
   PCA H H HNH1 0 0.381 39.3244 57.0403 67.7597
   PCA HA H HCH1 0 0.243 38.0756 58.5717 66.1760
   PCA HB2 H HCH2 0 0.245 37.3714 60.7375 67.6953
   PCA HB3 H HCH2 0 0.244 36.3857 59.2806 67.6690
   PCA HG2 H HCH2 0 0.265 38.3893 60.0857 69.8122
   PCA HG3 H HCH2 0 0.263 36.8289 59.3089 70.0317

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.value_dist
  _chem_comp_bond.value_dist_esd
  _chem_comp_bond.value_dist_neutron
   PCA N CA single 1.458 0.019 1.458
   PCA N CD single 1.345 0.020 1.345
   PCA N H single 0.860 0.020 0.860
   PCA CA CB single 1.530 0.020 1.530
   PCA CA C single 1.525 0.021 1.525
   PCA CA HA single 0.970 0.020 0.970
   PCA CB CG single 1.525 0.020 1.525
   PCA CB HB2 single 0.970 0.020 1.090
   PCA CB HB3 single 0.970 0.020 1.090
   PCA CG CD single 1.517 0.020 1.517
   PCA CG HG2 single 0.970 0.020 1.090
   PCA CG HG3 single 0.970 0.020 1.090
   PCA CD OE double 1.221 0.020 1.221
   PCA C O deloc 1.231 0.020 1.231
   PCA C OXT deloc 1.247 0.020 1.247

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
   PCA H N CD 120.30 3.000
   PCA H N CA 114.00 3.000
   PCA CD N CA 114.17 3.000
   PCA HA CA C 109.00 3.000
   PCA HA CA CB 109.00 3.000
   PCA C CA CB 110.10 1.900
   PCA HA CA N 110.00 3.000
   PCA C CA N 111.00 2.800
   PCA CB CA N 110.50 1.700
   PCA HB3 CB HB2 107.63 3.000
   PCA HB3 CB CG 109.95 3.000
   PCA HB2 CB CG 113.77 3.000
   PCA HB3 CB CA 109.90 3.000
   PCA HB2 CB CA 112.29 3.000
   PCA CG CB CA 103.25 3.000
   PCA HG3 CG HG2 107.15 3.000
   PCA HG3 CG CD 111.26 3.000
   PCA HG2 CG CD 108.14 3.000
   PCA HG3 CG CB 114.17 3.000
   PCA HG2 CG CB 112.05 3.000
   PCA CD CG CB 103.97 3.000
   PCA OE CD CG 126.48 3.000
   PCA OE CD N 126.29 3.000
   PCA CG CD N 107.23 3.000
   PCA OXT C O 127.86 3.000
   PCA OXT C CA 114.54 3.000
   PCA O C CA 120.80 1.700

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
   PCA CONST_01 CG CD N CA 0.00 0.0 0
   PCA CONST_02 OE CD N CA 180.00 0.0 0
   PCA CONST_03 H N CD CG 180.00 0.0 0
   PCA Var_01 CB CG CD N 11.43 30.0 1
   PCA Var_02 CD CG CB CA -26.44 30.0 1
   PCA Var_03 HB2 CB CA N 154.14 30.0 1
   PCA Var_04 HB3 CB CA N -86.09 30.0 1
   PCA Var_05 HA CA CB CG 148.19 30.0 1

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
   PCA chir_01 CA N CB C negativ

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
   PCA plan-1 N 0.020
   PCA plan-1 CA 0.020
   PCA plan-1 CG 0.020
   PCA plan-1 CD 0.020
   PCA plan-1 OE 0.020
   PCA plan-1 H 0.020
   PCA plan-2 CA 0.020
   PCA plan-2 C 0.020
   PCA plan-2 O 0.020
   PCA plan-2 OXT 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   PCA plan-1
   PCA plan-2

loop_
  _chem_comp.id
  _chem_comp.three_letter_code
  _chem_comp.name
  _chem_comp.group
  _chem_comp.number_atoms_all
  _chem_comp.number_atoms_nh
  _chem_comp.desc_level
   PCA PCA '5-oxo-L-proline          ' L-peptide 15 9 .

data_comp_HEC
loop_
  _chem_comp_atom.comp_id
  _chem_comp_atom.atom_id
  _chem_comp_atom.type_symbol
  _chem_comp_atom.type_energy
  _chem_comp_atom.partial_charge
   HEC CHA C CR1H 0.030
   HEC HHA H HCR1 0.010
   HEC C1A C CR5 0.030
   HEC C2A C CR5 -0.020
   HEC CAA C CH2 -0.010
   HEC HAA1 H HCH2 0.025
   HEC HAA2 H HCH2 0.025
   HEC CBA C CH2 -0.020
   HEC HBA1 H HCH2 0.000
   HEC HBA2 H HCH2 0.000
   HEC CGA C C 0.300
   HEC O1A O OC -0.210
   HEC O2A O OC -0.210
   HEC C3A C CR5 0.020
   HEC CMA C CH3 -0.100
   HEC HMA1 H HCH3 0.020
   HEC HMA2 H HCH3 0.020
   HEC HMA3 H HCH3 0.020
   HEC C4A C CR5 0.020
   HEC NA N NPA -0.180
   HEC CHB C CR1H 0.030
   HEC HHB H HCR1 0.010
   HEC C1B C CR5 0.030
   HEC C2B C CR5 0.020
   HEC CMB C CH3 -0.100
   HEC HMB1 H HCH3 0.020
   HEC HMB2 H HCH3 0.020
   HEC HMB3 H HCH3 0.020
   HEC C3B C CR5 -0.050
   HEC CAB C CH2 0.020
   HEC HAB H HC1 0.010
   HEC CBB C CH3 -0.060
   HEC HBB1 H HCH3 0.010
   HEC HBB2 H HCH3 0.010
   HEC HBB3 H HCH3 0.010
   HEC C4B C CR5 0.020
   HEC NB N NPB -0.180
   HEC CHC C CR1H 0.030
   HEC HHC H HCR1 0.010
   HEC C1C C CR5 0.030
   HEC C2C C CR5 0.020
   HEC CMC C CH3 -0.100
   HEC HMC1 H HCH3 0.020
   HEC HMC2 H HCH3 0.020
   HEC HMC3 H HCH3 0.020
   HEC C3C C CR5 -0.050
   HEC CAC C CH2 0.020
   HEC HAC H HCH2 0.010
   HEC CBC C CH3 -0.060
   HEC HBC1 H HCH3 0.010
   HEC HBC2 H HCH3 0.010
   HEC HBC3 H HCH3 0.010
   HEC C4C C CR5 0.020
   HEC NC N NPA -0.180
   HEC CHD C CR1H 0.030
   HEC HHD H HCR1 0.010
   HEC C1D C CR5 0.030
   HEC C2D C CR5 0.020
   HEC CMD C CH3 -0.100
   HEC HMD1 H HCH3 0.020
   HEC HMD2 H HCH3 0.020
   HEC HMD3 H HCH3 0.020
   HEC C3D C CR5 -0.020
   HEC CAD C CH2 -0.010
   HEC HAD1 H HCH2 0.025
   HEC HAD2 H HCH2 0.025
   HEC CBD C CH2 -0.020
   HEC HBD1 H HCH2 0.000
   HEC HBD2 H HCH2 0.000
   HEC CGD C C 0.300
   HEC O1D O OC -0.210
   HEC O2D O OC -0.210
   HEC C4D C CR5 0.020
   HEC ND N NPB -0.180
   HEC FE FE FE 0.240

loop_
  _chem_comp_tree.comp_id
  _chem_comp_tree.atom_id
  _chem_comp_tree.atom_back
  _chem_comp_tree.atom_forward
  _chem_comp_tree.connect_type
   HEC CHA n/a C1A START
   HEC HHA CHA . .
   HEC C1A CHA C2A .
   HEC C2A C1A C3A .
   HEC CAA C2A CBA .
   HEC HAA1 CAA . .
   HEC HAA2 CAA . .
   HEC CBA CAA CGA .
   HEC HBA1 CBA . .
   HEC HBA2 CBA . .
   HEC CGA CBA O2A .
   HEC O1A CGA . .
   HEC O2A CGA . .
   HEC C3A C2A C4A .
   HEC CMA C3A HMA3 .
   HEC HMA1 CMA . .
   HEC HMA2 CMA . .
   HEC HMA3 CMA . .
   HEC C4A C3A CHB .
   HEC NA C4A . .
   HEC CHB C4A C1B .
   HEC HHB CHB . .
   HEC C1B CHB C2B .
   HEC C2B C1B C3B .
   HEC CMB C2B HMB3 .
   HEC HMB1 CMB . .
   HEC HMB2 CMB . .
   HEC HMB3 CMB . .
   HEC C3B C2B C4B .
   HEC CAB C3B CBB .
   HEC HAB CAB . .
   HEC CBB CAB HBB3 .
   HEC HBB1 CBB . .
   HEC HBB2 CBB . .
   HEC HBB3 CBB . .
   HEC C4B C3B CHC .
   HEC NB C4B . .
   HEC CHC C4B C1C .
   HEC HHC CHC . .
   HEC C1C CHC C2C .
   HEC C2C C1C C3C .
   HEC CMC C2C HMC3 .
   HEC HMC1 CMC . .
   HEC HMC2 CMC . .
   HEC HMC3 CMC . .
   HEC C3C C2C C4C .
   HEC CAC C3C CBC .
   HEC HAC CAC . .
   HEC CBC CAC HBC3 .
   HEC HBC1 CBC . .
   HEC HBC2 CBC . .
   HEC HBC3 CBC . .
   HEC C4C C3C CHD .
   HEC NC C4C . .
   HEC CHD C4C C1D .
   HEC HHD CHD . .
   HEC C1D CHD C2D .
   HEC C2D C1D C3D .
   HEC CMD C2D HMD3 .
   HEC HMD1 CMD . .
   HEC HMD2 CMD . .
   HEC HMD3 CMD . .
   HEC C3D C2D C4D .
   HEC CAD C3D CBD .
   HEC HAD1 CAD . .
   HEC HAD2 CAD . .
   HEC CBD CAD CGD .
   HEC HBD1 CBD . .
   HEC HBD2 CBD . .
   HEC CGD CBD O2D .
   HEC O1D CGD . .
   HEC O2D CGD . .
   HEC C4D C3D ND .
   HEC ND C4D FE .
   HEC FE ND . END
   HEC C4D CHA . ADD
   HEC C1A NA . ADD
   HEC C1B NB . ADD
   HEC C1C NC . ADD
   HEC C1D ND . ADD
   HEC FE NA . ADD
   HEC FE NB . ADD
   HEC FE NC . ADD

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.value_dist
  _chem_comp_bond.value_dist_esd
   HEC CHA C1A coval 1.378 0.020
   HEC CHA HHA coval 0.980 0.020
   HEC C1A C2A coval 1.449 0.020
   HEC C1A NA coval 1.384 0.020
   HEC C2A CAA coval 1.544 0.020
   HEC C2A C3A coval 1.334 0.020
   HEC CAA CBA coval 1.525 0.020
   HEC CAA HAA1 coval 0.970 0.020
   HEC CAA HAA2 coval 0.970 0.020
   HEC CBA CGA coval 1.506 0.020
   HEC CBA HBA1 coval 0.970 0.020
   HEC CBA HBA2 coval 0.970 0.020
   HEC CGA O1A coval 1.258 0.020
   HEC CGA O2A coval 1.258 0.020
   HEC C3A CMA coval 1.544 0.020
   HEC C3A C4A coval 1.449 0.020
   HEC CMA HMA1 coval 0.980 0.020
   HEC CMA HMA2 coval 0.980 0.020
   HEC CMA HMA3 coval 0.980 0.020
   HEC C4A NA coval 1.384 0.020
   HEC C4A CHB coval 1.378 0.020
   HEC CHB C1B coval 1.378 0.020
   HEC CHB HHB coval 0.980 0.020
   HEC C1B C2B coval 1.449 0.020
   HEC C1B NB coval 1.384 0.020
   HEC C2B CMB coval 1.544 0.020
   HEC C2B C3B coval 1.334 0.020
   HEC CMB HMB1 coval 0.970 0.020
   HEC CMB HMB2 coval 0.970 0.020
   HEC CMB HMB3 coval 0.970 0.020
   HEC C3B CAB coval 1.544 0.020
   HEC C3B C4B coval 1.449 0.020
   HEC CAB CBB coval 1.544 0.020
   HEC CAB HAB coval 0.960 0.020
   HEC CBB HBB1 coval 0.970 0.020
   HEC CBB HBB2 coval 0.970 0.020
   HEC CBB HBB3 coval 0.970 0.020
   HEC C4B NB coval 1.384 0.020
   HEC C4B CHC coval 1.378 0.020
   HEC CHC C1C coval 1.378 0.020
   HEC CHC HHC coval 0.980 0.020
   HEC C1C C2C coval 1.449 0.020
   HEC C1C NC coval 1.384 0.020
   HEC C2C CMC coval 1.544 0.020
   HEC C2C C3C coval 1.334 0.020
   HEC CMC HMC1 coval 0.970 0.020
   HEC CMC HMC2 coval 0.970 0.020
   HEC CMC HMC3 coval 0.970 0.020
   HEC C3C CAC coval 1.544 0.020
   HEC C3C C4C coval 1.449 0.020
   HEC CAC CBC coval 1.544 0.020
   HEC CAC HAC coval 0.960 0.020
   HEC CBC HBC1 coval 0.970 0.020
   HEC CBC HBC2 coval 0.970 0.020
   HEC CBC HBC3 coval 0.970 0.020
   HEC C4C NC coval 1.384 0.020
   HEC C4C CHD coval 1.378 0.020
   HEC CHD HHD coval 0.980 0.020
   HEC C3D C2D coval 1.544 0.020
   HEC C2D CMD coval 1.544 0.020
   HEC C2D C1D coval 1.449 0.020
   HEC CMD HMD1 coval 0.980 0.020
   HEC CMD HMD2 coval 0.980 0.020
   HEC CMD HMD3 coval 0.980 0.020
   HEC C1D ND coval 1.384 0.020
   HEC C1D CHD coval 1.378 0.020
   HEC CHA C4D coval 1.378 0.020
   HEC C4D C3D coval 1.449 0.020
   HEC C4D ND coval 1.384 0.020
   HEC C3D CAD coval 1.544 0.020
   HEC CAD CBD coval 1.525 0.020
   HEC CAD HAD1 coval 0.970 0.020
   HEC CAD HAD2 coval 0.970 0.020
   HEC CBD CGD coval 1.506 0.020
   HEC CBD HBD1 coval 0.970 0.020
   HEC CBD HBD2 coval 0.970 0.020
   HEC CGD O1D coval 1.258 0.020
   HEC CGD O2D coval 1.258 0.020
   HEC FE NA metal 2.080 0.070
   HEC FE NB metal 2.080 0.070
   HEC FE NC metal 2.080 0.070
   HEC FE ND metal 2.080 0.070

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
   HEC C4D CHA C1A 126.000 3.000
   HEC HHA CHA C1A 117.000 3.000
   HEC HHA CHA C4D 117.000 3.000
   HEC CHA C1A C2A 126.000 3.000
   HEC CHA C1A NA 126.000 3.000
   HEC C2A C1A NA 108.000 3.000
   HEC CHA C4D C3D 126.000 3.000
   HEC CHA C4D ND 126.000 3.000
   HEC C3D C4D ND 108.000 3.000
   HEC C1A C2A CAA 126.000 3.000
   HEC CAA C2A C3A 126.000 3.000
   HEC C1A C2A C3A 108.000 3.000
   HEC C4D C3D CAD 126.000 3.000
   HEC CAD C3D C2D 126.000 3.000
   HEC C4D C3D C2D 108.000 3.000
   HEC C2A CAA CBA 109.500 3.000
   HEC C2A CAA HAA1 109.500 3.000
   HEC C2A CAA HAA2 109.500 3.000
   HEC CBA CAA HAA1 109.500 3.000
   HEC CBA CAA HAA2 109.500 3.000
   HEC HAA1 CAA HAA2 109.500 3.000
   HEC C3D CAD CBD 109.500 3.000
   HEC C3D CAD HAD1 109.500 3.000
   HEC C3D CAD HAD2 109.500 3.000
   HEC CBD CAD HAD1 109.500 3.000
   HEC CBD CAD HAD2 109.500 3.000
   HEC HAD1 CAD HAD2 109.500 3.000
   HEC CAA CBA CGA 109.500 3.000
   HEC CAA CBA HBA1 109.500 3.000
   HEC CAA CBA HBA2 109.500 3.000
   HEC CGA CBA HBA1 109.500 3.000
   HEC CGA CBA HBA2 109.500 3.000
   HEC HBA1 CBA HBA2 109.500 3.000
   HEC CAD CBD CGD 109.500 3.000
   HEC CAD CBD HBD1 109.500 3.000
   HEC CAD CBD HBD2 109.500 3.000
   HEC CGD CBD HBD1 109.500 3.000
   HEC CGD CBD HBD2 109.500 3.000
   HEC HBD1 CBD HBD2 109.500 3.000
   HEC CBA CGA O1A 118.500 3.000
   HEC CBA CGA O2A 118.500 3.000
   HEC O1A CGA O2A 123.000 3.000
   HEC CBD CGD O1D 118.500 3.000
   HEC CBD CGD O2D 118.500 3.000
   HEC O1D CGD O2D 123.000 3.000
   HEC C2A C3A CMA 126.000 3.000
   HEC C2A C3A C4A 108.000 3.000
   HEC C4A C3A CMA 126.000 3.000
   HEC C3D C2D CMD 126.000 3.000
   HEC C3D C2D C1D 108.000 3.000
   HEC C1D C2D CMD 126.000 3.000
   HEC C3A CMA HMA1 109.500 3.000
   HEC C3A CMA HMA2 109.500 3.000
   HEC C3A CMA HMA3 109.500 3.000
   HEC HMA1 CMA HMA2 109.500 3.000
   HEC HMA1 CMA HMA3 109.500 3.000
   HEC HMA2 CMA HMA3 109.500 3.000
   HEC C2D CMD HMD1 109.500 3.000
   HEC C2D CMD HMD2 109.500 3.000
   HEC C2D CMD HMD3 109.500 3.000
   HEC HMD1 CMD HMD2 109.500 3.000
   HEC HMD1 CMD HMD3 109.500 3.000
   HEC HMD2 CMD HMD3 109.500 3.000
   HEC C3A C4A CHB 126.000 3.000
   HEC C3A C4A NA 108.000 3.000
   HEC NA C4A CHB 126.000 3.000
   HEC C2D C1D CHD 126.000 3.000
   HEC C2D C1D ND 108.000 3.000
   HEC ND C1D CHD 126.000 3.000
   HEC C1A NA C4A 108.000 3.000
   HEC C1A NA FE 126.000 10.000
   HEC FE NA C4A 126.000 10.000
   HEC C4D ND C1D 108.000 3.000
   HEC C4D ND FE 126.000 10.000
   HEC FE ND C1D 126.000 10.000
   HEC C4A CHB C1B 126.000 3.000
   HEC HHB CHB C1B 117.000 3.000
   HEC HHB CHB C4A 117.000 3.000
   HEC C4C CHD C1D 126.000 3.000
   HEC HHD CHD C1D 117.000 3.000
   HEC HHD CHD C4C 117.000 3.000
   HEC CHB C1B C2B 126.000 3.000
   HEC CHB C1B NB 126.000 3.000
   HEC C2B C1B NB 108.000 3.000
   HEC CHC C1C C2C 126.000 3.000
   HEC CHC C1C NC 126.000 3.000
   HEC C2C C1C NC 108.000 3.000
   HEC C1B C2B CMB 126.000 3.000
   HEC CMB C2B C3B 126.000 3.000
   HEC C1B C2B C3B 108.000 3.000
   HEC C1C C2C CMC 126.000 3.000
   HEC CMC C2C C3C 126.000 3.000
   HEC C1C C2C C3C 108.000 3.000
   HEC C2B CMB HMB1 109.500 3.000
   HEC C2B CMB HMB2 109.500 3.000
   HEC C2B CMB HMB3 109.500 3.000
   HEC HMB1 CMB HMB2 109.500 3.000
   HEC HMB1 CMB HMB3 109.500 3.000
   HEC HMB2 CMB HMB3 109.500 3.000
   HEC C2C CMC HMC1 109.500 3.000
   HEC C2C CMC HMC2 109.500 3.000
   HEC C2C CMC HMC3 109.500 3.000
   HEC HMC1 CMC HMC2 109.500 3.000
   HEC HMC1 CMC HMC3 109.500 3.000
   HEC HMC2 CMC HMC3 109.500 3.000
   HEC C2B C3B CAB 126.000 3.000
   HEC C4B C3B CAB 126.000 3.000
   HEC C4B C3B C2B 108.000 3.000
   HEC C2C C3C CAC 126.000 3.000
   HEC C4C C3C CAC 126.000 3.000
   HEC C4C C3C C2C 108.000 3.000
   HEC C3B CAB CBB 109.000 3.000
   HEC C3B CAB HAB 109.000 3.000
   HEC HAB CAB CBB 109.000 3.000
   HEC CAB CBB HBB1 109.000 3.000
   HEC CAB CBB HBB2 109.000 3.000
   HEC CAB CBB HBB3 109.000 3.000
   HEC HBB1 CBB HBB2 109.000 3.000
   HEC HBB1 CBB HBB3 109.000 3.000
   HEC HBB2 CBB HBB3 109.000 3.000
   HEC C3C CAC CBC 109.000 3.000
   HEC C3C CAC HAC 109.000 3.000
   HEC HAC CAC CBC 109.000 3.000
   HEC CAC CBC HBC1 109.000 3.000
   HEC CAC CBC HBC2 109.000 3.000
   HEC CAC CBC HBC3 109.000 3.000
   HEC HBC1 CBC HBC2 109.000 3.000
   HEC HBC1 CBC HBC3 109.000 3.000
   HEC HBC2 CBC HBC3 109.000 3.000
   HEC C3B C4B CHC 126.000 3.000
   HEC CHC C4B NB 126.000 3.000
   HEC NB C4B C3B 108.000 3.000
   HEC C3C C4C CHD 126.000 3.000
   HEC CHD C4C NC 126.000 3.000
   HEC NC C4C C3C 108.000 3.000
   HEC C4B NB C1B 108.000 3.000
   HEC C4B NB FE 126.000 10.000
   HEC FE NB C1B 126.000 10.000
   HEC C4C NC C1C 108.000 3.000
   HEC C4C NC FE 126.000 10.000
   HEC FE NC C1C 126.000 10.000
   HEC C4B CHC C1C 126.000 3.000
   HEC HHC CHC C1C 117.000 3.000
   HEC HHC CHC C4B 117.000 3.000
   HEC NA FE NB 90.000 10.000
   HEC NA FE ND 90.000 10.000
   HEC NB FE NC 90.000 10.000
   HEC NC FE ND 90.000 10.000
   HEC NB FE ND 180.000 10.000
   HEC NA FE NC 180.000 10.000

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
   HEC CONST_01 CHA C1A C2A C3A 180.000 0.000 0
   HEC chi1 C1A C2A CAA CBA 180.000 20.000 2
   HEC chi2 C2A CAA CBA CGA 180.000 20.000 2
   HEC chi3 CAA CBA CGA O2A 180.000 20.000 2
   HEC CONST_02 C1A C2A C3A C4A 0.000 0.000 0
   HEC hh1 C2A C3A CMA HMA3 0.000 20.000 3
   HEC CONST_03 C2A C3A C4A CHB 180.000 0.000 0
   HEC CONST_04 C3A C4A CHB C1B 180.000 0.000 0
   HEC CONST_05 C4A CHB C1B C2B 180.000 0.000 0
   HEC CONST_06 CHB C1B C2B C3B 180.000 0.000 0
   HEC hh2 C1B C2B CMB HMB3 0.000 20.000 3
   HEC CONST_07 C1B C2B C3B C4B 0.000 0.000 0
   HEC chi4 C2B C3B CAB CBB 60.000 10.000 2
   HEC hh3 C3B CAB CBB HBB2 180.000 20.000 2
   HEC CONST_08 C2B C3B C4B CHC 180.000 0.000 0
   HEC CONST_09 C3B C4B CHC C1C 180.000 0.000 0
   HEC CONST_10 C4B CHC C1C C2C 180.000 0.000 0
   HEC CONST_11 CHC C1C C2C C3C 180.000 0.000 0
   HEC hh4 C1C C2C CMC HMC3 0.000 20.000 3
   HEC CONST_12 C1C C2C C3C C4C 0.000 0.000 0
   HEC chi5 C2C C3C CAC CBC 60.000 10.000 2
   HEC hh5 C3C CAC CBC HBC2 180.000 20.000 2
   HEC CONST_13 C2C C3C C4C CHD 180.000 0.000 0
   HEC CONST_14 C3C C4C CHD C1D 180.000 0.000 0
   HEC CONST_15 C4C CHD C1D C2D 180.000 0.000 0
   HEC CONST_16 CHD C1D C2D C3D 180.000 0.000 0
   HEC hh6 C1D C2D CMD HMD3 0.000 20.000 3
   HEC CONST_17 C1D C2D C3D C4D 0.000 0.000 0
   HEC chi6 C2D C3D CAD CBD 180.000 20.000 2
   HEC chi7 C3D CAD CBD CGD 180.000 20.000 2
   HEC chi8 CAD CBD CGD O2D 180.000 20.000 2
   HEC CONST_18 C2D C3D C4D ND 0.000 0.000 0
   HEC CONST_19 C3D C4D ND FE 180.000 0.000 0
   HEC CONST_20 C2A C1A CHA HHA 0.000 0.000 0
   HEC CONST_21 C2B C1B CHB HHB 0.000 0.000 0
   HEC CONST_22 C2C C1C CHC HHC 0.000 0.000 0
   HEC CONST_23 C2D C1D CHD HHD 0.000 0.000 0

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
   HEC A C1A 0.020
   HEC A NA 0.020
   HEC A C4A 0.020
   HEC A C3A 0.020
   HEC A CMA 0.020
   HEC A C2A 0.020
   HEC A CAA 0.020
   HEC A CHA 0.020
   HEC A CHB 0.020
   HEC B C1B 0.020
   HEC B NB 0.020
   HEC B C4B 0.020
   HEC B C3B 0.020
   HEC B CMB 0.020
   HEC B C2B 0.020
   HEC B CAB 0.020
   HEC B CHB 0.020
   HEC B CHC 0.020
   HEC C C1C 0.020
   HEC C NC 0.020
   HEC C C4C 0.020
   HEC C C3C 0.020
   HEC C CMC 0.020
   HEC C C2C 0.020
   HEC C CAC 0.020
   HEC C CHC 0.020
   HEC C CHD 0.020
   HEC D C1D 0.020
   HEC D ND 0.020
   HEC D C4D 0.020
   HEC D C3D 0.020
   HEC D CMD 0.020
   HEC D C2D 0.020
   HEC D CAD 0.020
   HEC D CHD 0.020
   HEC D CHA 0.020
   HEC plan1 CBD 0.020
   HEC plan1 CGD 0.020
   HEC plan1 O1D 0.020
   HEC plan1 O2D 0.020
   HEC plan2 CBA 0.020
   HEC plan2 CGA 0.020
   HEC plan2 O1A 0.020
   HEC plan2 O2A 0.020
   HEC plan3 CHA 0.020
   HEC plan3 HHA 0.020
   HEC plan3 C1A 0.020
   HEC plan3 C4D 0.020
   HEC plan4 CHB 0.020
   HEC plan4 HHB 0.020
   HEC plan4 C1B 0.020
   HEC plan4 C4A 0.020
   HEC plan5 CHC 0.020
   HEC plan5 HHC 0.020
   HEC plan5 C1C 0.020
   HEC plan5 C4B 0.020
   HEC plan6 CHD 0.020
   HEC plan6 HHD 0.020
   HEC plan6 C1D 0.020
   HEC plan6 C4C 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   HEC A
   HEC B
   HEC C
   HEC D
   HEC plan1
   HEC plan2
   HEC plan3
   HEC plan4
   HEC plan5
   HEC plan6

loop_
  _chem_comp.id
  _chem_comp.three_letter_code
  _chem_comp.name
  _chem_comp.group
  _chem_comp.number_atoms_all
  _chem_comp.number_atoms_nh
  _chem_comp.desc_level
   HEC . 'heme-C                              ' non-polymer 75 43 .

data_comp_NO
loop_
  _chem_comp_atom.comp_id
  _chem_comp_atom.atom_id
  _chem_comp_atom.type_symbol
  _chem_comp_atom.type_energy
  _chem_comp_atom.partial_charge
   NO N N N 0.000
   NO O O O 0.000

loop_
  _chem_comp_tree.comp_id
  _chem_comp_tree.atom_id
  _chem_comp_tree.atom_back
  _chem_comp_tree.atom_forward
  _chem_comp_tree.connect_type
   NO N n/a O START
   NO O N . END

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.value_dist
  _chem_comp_bond.value_dist_esd
   NO O N coval 1.450 0.020

loop_
  _chem_comp.id
  _chem_comp.three_letter_code
  _chem_comp.name
  _chem_comp.group
  _chem_comp.number_atoms_all
  _chem_comp.number_atoms_nh
  _chem_comp.desc_level
   NO . 'NITROGEN MONOXIDE                   ' non-polymer 2 2 .

data_comp_SO4
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
  _chem_comp_atom.partial_charge
  _chem_comp_atom.x
  _chem_comp_atom.y
  _chem_comp_atom.z
   SO4 S S S 0 1.474 16.5170 34.9547 5.4718
   SO4 O1 O OS 0 -0.869 17.8362 34.8083 4.7766
   SO4 O2 O OS 0 -0.868 16.6534 35.9274 6.6034
   SO4 O3 O OS -1 -0.869 15.4961 35.4603 4.4975
   SO4 O4 O OS -1 -0.868 16.0830 33.6233 6.0060

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.value_dist
  _chem_comp_bond.value_dist_esd
  _chem_comp_bond.value_dist_neutron
   SO4 S O1 deloc 1.498 0.020 1.498
   SO4 S O2 deloc 1.498 0.020 1.498
   SO4 S O3 deloc 1.499 0.020 1.499
   SO4 S O4 deloc 1.499 0.020 1.499

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
   SO4 O4 S O3 109.51 3.000
   SO4 O4 S O2 109.50 3.000
   SO4 O3 S O2 109.51 3.000
   SO4 O4 S O1 109.48 3.000
   SO4 O3 S O1 109.33 3.000
   SO4 O2 S O1 109.49 3.000

loop_
  _chem_comp.id
  _chem_comp.three_letter_code
  _chem_comp.name
  _chem_comp.group
  _chem_comp.number_atoms_all
  _chem_comp.number_atoms_nh
  _chem_comp.desc_level
   SO4 SO4 'sulfate                  ' ligand 5 5 .

